smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898500438 735371195 /nfs/dbraw/zinc/37/11/95/735371195.db2.gz XDDPCSXXMPNQGF-HOTGVXAUSA-N 1 2 351.422 2.714 20 5 FFBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898500438 735371197 /nfs/dbraw/zinc/37/11/97/735371197.db2.gz XDDPCSXXMPNQGF-HOTGVXAUSA-N 1 2 351.422 2.714 20 5 FFBDLO CC(C)(C(=O)N[C@H]1CCC[N@H+](CCF)C1)c1ccc([N+](=O)[O-])cc1F ZINC000898499871 735371253 /nfs/dbraw/zinc/37/12/53/735371253.db2.gz SGBXMQBFXKUPFA-LBPRGKRZSA-N 1 2 355.385 2.562 20 5 FFBDLO CC(C)(C(=O)N[C@H]1CCC[N@@H+](CCF)C1)c1ccc([N+](=O)[O-])cc1F ZINC000898499871 735371256 /nfs/dbraw/zinc/37/12/56/735371256.db2.gz SGBXMQBFXKUPFA-LBPRGKRZSA-N 1 2 355.385 2.562 20 5 FFBDLO Cc1sc(S(=O)(=O)Oc2cccc(-n3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000124191294 728667536 /nfs/dbraw/zinc/66/75/36/728667536.db2.gz HMDQFBHZLJNBIN-UHFFFAOYSA-N 1 2 365.392 2.918 20 5 FFBDLO C[N@H+](Cc1ccc(Cl)nc1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000174590558 729074511 /nfs/dbraw/zinc/07/45/11/729074511.db2.gz VXDCLNKFBDXONS-HNNXBMFYSA-N 1 2 360.801 2.881 20 5 FFBDLO C[N@@H+](Cc1ccc(Cl)nc1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000174590558 729074514 /nfs/dbraw/zinc/07/45/14/729074514.db2.gz VXDCLNKFBDXONS-HNNXBMFYSA-N 1 2 360.801 2.881 20 5 FFBDLO O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1Cl ZINC000860129713 730479677 /nfs/dbraw/zinc/47/96/77/730479677.db2.gz YPDBLKYGKRAAMP-KGLIPLIRSA-N 1 2 367.833 2.621 20 5 FFBDLO O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1Cl ZINC000860129715 730479695 /nfs/dbraw/zinc/47/96/95/730479695.db2.gz YPDBLKYGKRAAMP-ZIAGYGMSSA-N 1 2 367.833 2.621 20 5 FFBDLO COCCc1ncc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000876530662 732254835 /nfs/dbraw/zinc/25/48/35/732254835.db2.gz PIHCVAROYWJVJZ-UHFFFAOYSA-N 1 2 362.455 2.562 20 5 FFBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCCCn1cc[nH+]c1 ZINC000783202708 738789637 /nfs/dbraw/zinc/78/96/37/738789637.db2.gz GOUBGUUISVBJJH-LLVKDONJSA-N 1 2 353.762 2.846 20 5 FFBDLO Cc1nc([N+](=O)[O-])c(Br)n1Cc1[nH+]ccn1CC(F)(F)F ZINC000728441655 734527619 /nfs/dbraw/zinc/52/76/19/734527619.db2.gz OWYBUNQDGXFLJV-UHFFFAOYSA-N 1 2 368.113 2.669 20 5 FFBDLO O=C1[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCN1c1c(F)cccc1F ZINC000756148708 736311050 /nfs/dbraw/zinc/31/10/50/736311050.db2.gz FWTBIOSZJONXPK-LBPRGKRZSA-N 1 2 353.350 2.830 20 5 FFBDLO CC1(C)CN(CC(F)(F)F)CC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776605770 738213588 /nfs/dbraw/zinc/21/35/88/738213588.db2.gz OAQDWNXHLORSFR-CQSZACIVSA-N 1 2 361.364 2.587 20 5 FFBDLO CC1(C)CN(CC(F)(F)F)CC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776605770 738213589 /nfs/dbraw/zinc/21/35/89/738213589.db2.gz OAQDWNXHLORSFR-CQSZACIVSA-N 1 2 361.364 2.587 20 5 FFBDLO COC(=O)[C@H]1CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)[C@H]1C ZINC000787421757 739135448 /nfs/dbraw/zinc/13/54/48/739135448.db2.gz UYKJXUIWBLQRHR-ONGXEEELSA-N 1 2 357.204 2.741 20 5 FFBDLO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)[C@H]1C ZINC000787421757 739135451 /nfs/dbraw/zinc/13/54/51/739135451.db2.gz UYKJXUIWBLQRHR-ONGXEEELSA-N 1 2 357.204 2.741 20 5 FFBDLO Cc1nnc([C@@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3Br)C2)[nH]1 ZINC000930724589 739154020 /nfs/dbraw/zinc/15/40/20/739154020.db2.gz HBJSNHJDLPYJSR-SNVBAGLBSA-N 1 2 366.219 2.773 20 5 FFBDLO Cc1nnc([C@@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Br)C2)[nH]1 ZINC000930724589 739154022 /nfs/dbraw/zinc/15/40/22/739154022.db2.gz HBJSNHJDLPYJSR-SNVBAGLBSA-N 1 2 366.219 2.773 20 5 FFBDLO Cc1n[nH]c([C@@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3Br)C2)n1 ZINC000930724589 739154025 /nfs/dbraw/zinc/15/40/25/739154025.db2.gz HBJSNHJDLPYJSR-SNVBAGLBSA-N 1 2 366.219 2.773 20 5 FFBDLO Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Br)C2)n1 ZINC000930724589 739154028 /nfs/dbraw/zinc/15/40/28/739154028.db2.gz HBJSNHJDLPYJSR-SNVBAGLBSA-N 1 2 366.219 2.773 20 5 FFBDLO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1 ZINC000931256621 739233400 /nfs/dbraw/zinc/23/34/00/739233400.db2.gz JMHURGJKXKRTRM-RRMDADRESA-N 1 2 373.272 2.843 20 5 FFBDLO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1 ZINC000931256621 739233402 /nfs/dbraw/zinc/23/34/02/739233402.db2.gz JMHURGJKXKRTRM-RRMDADRESA-N 1 2 373.272 2.843 20 5 FFBDLO O=C(C[N@@H+]1CCC[C@@H](Cc2nccs2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000932195247 739402813 /nfs/dbraw/zinc/40/28/13/739402813.db2.gz AFIMDQTUXYRIPW-ZDUSSCGKSA-N 1 2 360.439 2.945 20 5 FFBDLO O=C(C[N@H+]1CCC[C@@H](Cc2nccs2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000932195247 739402820 /nfs/dbraw/zinc/40/28/20/739402820.db2.gz AFIMDQTUXYRIPW-ZDUSSCGKSA-N 1 2 360.439 2.945 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH+]2CCC(F)(C3CC3)CC2)cc1 ZINC000932626862 739481091 /nfs/dbraw/zinc/48/10/91/739481091.db2.gz NNOQSJMKZZBIJO-UHFFFAOYSA-N 1 2 356.419 2.583 20 5 FFBDLO Cc1c(Br)cc(C(=O)OCc2cc[nH+]c(N)c2)cc1[N+](=O)[O-] ZINC000792052074 739630877 /nfs/dbraw/zinc/63/08/77/739630877.db2.gz ZBOVINUQEZJIHM-UHFFFAOYSA-N 1 2 366.171 3.000 20 5 FFBDLO Nc1cc(COC(=O)c2cccc([N+](=O)[O-])c2Br)cc[nH+]1 ZINC000792121714 739640790 /nfs/dbraw/zinc/64/07/90/739640790.db2.gz UIEKCZHHRMEPAA-UHFFFAOYSA-N 1 2 352.144 2.692 20 5 FFBDLO CN(CCCn1cc[nH+]c1)C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000934912201 739865144 /nfs/dbraw/zinc/86/51/44/739865144.db2.gz JAKOZWYLWZMWFS-UHFFFAOYSA-N 1 2 350.806 2.926 20 5 FFBDLO O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1C[NH+]1CCCCC1 ZINC000795401433 740016622 /nfs/dbraw/zinc/01/66/22/740016622.db2.gz QBMSYHXHTZXZCO-UHFFFAOYSA-N 1 2 354.204 2.757 20 5 FFBDLO O=C(O[C@H]1CC[N@H+](CCF)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000802234152 740687602 /nfs/dbraw/zinc/68/76/02/740687602.db2.gz NBPBMKFXBZZWJD-JTQLQIEISA-N 1 2 361.167 2.558 20 5 FFBDLO O=C(O[C@H]1CC[N@@H+](CCF)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000802234152 740687604 /nfs/dbraw/zinc/68/76/04/740687604.db2.gz NBPBMKFXBZZWJD-JTQLQIEISA-N 1 2 361.167 2.558 20 5 FFBDLO CSC1(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)CCC1 ZINC000813173907 741685159 /nfs/dbraw/zinc/68/51/59/741685159.db2.gz LXJWUSQORMJLOY-HNNXBMFYSA-N 1 2 350.440 2.998 20 5 FFBDLO CSC1(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)CCC1 ZINC000813173907 741685161 /nfs/dbraw/zinc/68/51/61/741685161.db2.gz LXJWUSQORMJLOY-HNNXBMFYSA-N 1 2 350.440 2.998 20 5 FFBDLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813601687 741738777 /nfs/dbraw/zinc/73/87/77/741738777.db2.gz ABKFCAHLPALIJP-SECBINFHSA-N 1 2 355.181 2.843 20 5 FFBDLO O=[N+]([O-])c1cc(Br)ccc1C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000822677674 742768192 /nfs/dbraw/zinc/76/81/92/742768192.db2.gz ZGCOJNZCVYAOCI-UHFFFAOYSA-N 1 2 366.219 2.855 20 5 FFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c1Br ZINC000823469676 742920591 /nfs/dbraw/zinc/92/05/91/742920591.db2.gz ZPUCCZUMOBZUIX-GFCCVEGCSA-N 1 2 366.219 2.786 20 5 FFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](n3ccnn3)C2)c1Br ZINC000823469676 742920597 /nfs/dbraw/zinc/92/05/97/742920597.db2.gz ZPUCCZUMOBZUIX-GFCCVEGCSA-N 1 2 366.219 2.786 20 5 FFBDLO Nc1ccc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1[N+](=O)[O-] ZINC000824008881 743008892 /nfs/dbraw/zinc/00/88/92/743008892.db2.gz XQFPLBTWQGYTAN-UHFFFAOYSA-N 1 2 361.427 2.588 20 5 FFBDLO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2cc(F)ccc2Cl)CC1 ZINC001045436723 743273904 /nfs/dbraw/zinc/27/39/04/743273904.db2.gz VHQPXNFWLXQKCR-UKRRQHHQSA-N 1 2 369.824 2.615 20 5 FFBDLO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC001045436206 743274021 /nfs/dbraw/zinc/27/40/21/743274021.db2.gz MTSHNQXSGUMOBC-UKRRQHHQSA-N 1 2 369.824 2.615 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1F ZINC000826003004 743353957 /nfs/dbraw/zinc/35/39/57/743353957.db2.gz HNOSGNRYZDHDEJ-NSHDSACASA-N 1 2 350.325 2.855 20 5 FFBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000829971954 745287170 /nfs/dbraw/zinc/28/71/70/745287170.db2.gz VCQKHNJSWPLIJE-UHFFFAOYSA-N 1 2 366.468 2.765 20 5 FFBDLO C[C@@]1(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CC1(Cl)Cl ZINC000830047807 745299052 /nfs/dbraw/zinc/29/90/52/745299052.db2.gz BUBIGSBTBQEEPT-HNNXBMFYSA-N 1 2 372.252 2.937 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c1F ZINC000831211324 745499379 /nfs/dbraw/zinc/49/93/79/745499379.db2.gz UJUGPCZSOOICGI-JTQLQIEISA-N 1 2 350.325 2.545 20 5 FFBDLO C[C@@H]([NH2+][C@@H](C)c1ccn(C)n1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000839195793 746799432 /nfs/dbraw/zinc/79/94/32/746799432.db2.gz HHNYSRBYRUSPKG-VHSXEESVSA-N 1 2 351.794 2.660 20 5 FFBDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccn(C)n1 ZINC000839195795 746799695 /nfs/dbraw/zinc/79/96/95/746799695.db2.gz HHNYSRBYRUSPKG-ZJUUUORDSA-N 1 2 351.794 2.660 20 5 FFBDLO COC(=O)[C@]1(C)CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000840186099 747032416 /nfs/dbraw/zinc/03/24/16/747032416.db2.gz WFXCZJHBAWLFSI-MRXNPFEDSA-N 1 2 366.805 2.831 20 5 FFBDLO COC(=O)[C@]1(C)CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000840186099 747032423 /nfs/dbraw/zinc/03/24/23/747032423.db2.gz WFXCZJHBAWLFSI-MRXNPFEDSA-N 1 2 366.805 2.831 20 5 FFBDLO CC(C)(C)OC(=O)C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000844410034 748024118 /nfs/dbraw/zinc/02/41/18/748024118.db2.gz PJDDYMBGNZLYJF-MRXNPFEDSA-N 1 2 350.415 2.682 20 5 FFBDLO CC(C)(C)OC(=O)C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000844410034 748024126 /nfs/dbraw/zinc/02/41/26/748024126.db2.gz PJDDYMBGNZLYJF-MRXNPFEDSA-N 1 2 350.415 2.682 20 5 FFBDLO C[C@H](CC(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)n1cc[nH+]c1 ZINC000845278369 748218112 /nfs/dbraw/zinc/21/81/12/748218112.db2.gz NPZPTQREMSMYDM-SNVBAGLBSA-N 1 2 366.761 2.578 20 5 FFBDLO C[C@@H]1C[N@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)CCC1(F)F ZINC000848491074 748939972 /nfs/dbraw/zinc/93/99/72/748939972.db2.gz RHQIUSAOTDWZJS-DOMZBBRYSA-N 1 2 353.369 2.845 20 5 FFBDLO C[C@@H]1C[N@@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)CCC1(F)F ZINC000848491074 748939978 /nfs/dbraw/zinc/93/99/78/748939978.db2.gz RHQIUSAOTDWZJS-DOMZBBRYSA-N 1 2 353.369 2.845 20 5 FFBDLO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1)C(F)(F)F ZINC000852061799 749765498 /nfs/dbraw/zinc/76/54/98/749765498.db2.gz RHPUNDZXRQHVAY-JTQLQIEISA-N 1 2 363.311 2.624 20 5 FFBDLO O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1)C(F)(F)F ZINC000852061799 749765501 /nfs/dbraw/zinc/76/55/01/749765501.db2.gz RHPUNDZXRQHVAY-JTQLQIEISA-N 1 2 363.311 2.624 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC001167100160 960045496 /nfs/dbraw/zinc/04/54/96/960045496.db2.gz FSRNWZOAXXXKRJ-CQSZACIVSA-N 1 2 355.398 2.511 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC001167100160 960045507 /nfs/dbraw/zinc/04/55/07/960045507.db2.gz FSRNWZOAXXXKRJ-CQSZACIVSA-N 1 2 355.398 2.511 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1Cc2ccc(O)cc2C1 ZINC001167329352 961937444 /nfs/dbraw/zinc/93/74/44/961937444.db2.gz OUCQFDUPKQFULG-UHFFFAOYSA-N 1 2 350.334 2.642 20 5 FFBDLO COc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1[N+](=O)[O-] ZINC000051233025 964422965 /nfs/dbraw/zinc/42/29/65/964422965.db2.gz CRPSTMCYUYRZMG-UHFFFAOYSA-N 1 2 372.381 2.834 20 5 FFBDLO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@H](O)c3ccc(F)c(F)c3)CC2)c1 ZINC000051377585 966090504 /nfs/dbraw/zinc/09/05/04/966090504.db2.gz ZWLUGVDJWQFVPR-SFHVURJKSA-N 1 2 363.364 2.729 20 5 FFBDLO CCOC(=O)C1CC[NH+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000103457473 970403601 /nfs/dbraw/zinc/40/36/01/970403601.db2.gz KSAZOZYTUFQZOY-UHFFFAOYSA-N 1 2 358.398 2.691 20 5 FFBDLO O=C(CC[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000121624245 979103676 /nfs/dbraw/zinc/10/36/76/979103676.db2.gz BQAVLPAUBZGBBU-GOSISDBHSA-N 1 2 371.393 2.703 20 5 FFBDLO O=C(CC[N@H+]1CCO[C@@H](c2cccc(O)c2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000121624245 979103680 /nfs/dbraw/zinc/10/36/80/979103680.db2.gz BQAVLPAUBZGBBU-GOSISDBHSA-N 1 2 371.393 2.703 20 5 FFBDLO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2cccc[nH+]2)CC1 ZINC000905085018 980375622 /nfs/dbraw/zinc/37/56/22/980375622.db2.gz LDVBSEXJDXDPTK-UHFFFAOYSA-N 1 2 374.828 2.925 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C(=O)N2CC3(CC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000910784669 982049752 /nfs/dbraw/zinc/04/97/52/982049752.db2.gz GGRPFXJJIRUXBJ-UHFFFAOYSA-N 1 2 367.405 2.704 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C(=O)N2CC3(CC[N@H+]3Cc3ccccc3)C2)c1 ZINC000910784669 982049759 /nfs/dbraw/zinc/04/97/59/982049759.db2.gz GGRPFXJJIRUXBJ-UHFFFAOYSA-N 1 2 367.405 2.704 20 5 FFBDLO CC[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000054531730 982203450 /nfs/dbraw/zinc/20/34/50/982203450.db2.gz CCQGBWQPOSMEOP-MRXNPFEDSA-N 1 2 360.458 2.508 20 5 FFBDLO O=[N+]([O-])c1c(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)nc2ccccn21 ZINC000072883675 983897627 /nfs/dbraw/zinc/89/76/27/983897627.db2.gz IICJWWDLMWIXSK-INIZCTEOSA-N 1 2 367.409 2.728 20 5 FFBDLO Cc1cc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c(N)c([N+](=O)[O-])c1 ZINC000171470521 985284836 /nfs/dbraw/zinc/28/48/36/985284836.db2.gz UWGIYXIRQPJCET-UHFFFAOYSA-N 1 2 351.366 2.601 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000451220087 987378851 /nfs/dbraw/zinc/37/88/51/987378851.db2.gz QLBMEEKWFZJICM-OAHLLOKOSA-N 1 2 370.409 2.697 20 5 FFBDLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1cc(F)ccc1[N+](=O)[O-] ZINC000154796263 990477188 /nfs/dbraw/zinc/47/71/88/990477188.db2.gz YVZGRLSSAATNFH-UHFFFAOYSA-N 1 2 359.357 2.818 20 5 FFBDLO COc1cc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)ccc1[N+](=O)[O-] ZINC000154914529 990583794 /nfs/dbraw/zinc/58/37/94/990583794.db2.gz YTHOKHFNANYUPT-UHFFFAOYSA-N 1 2 352.350 2.719 20 5 FFBDLO CN(c1ccccc1)c1ccc(C[NH2+]Cc2cnn(C)n2)cc1[N+](=O)[O-] ZINC000808418529 994116986 /nfs/dbraw/zinc/11/69/86/994116986.db2.gz VHNUQDBOARDCQT-UHFFFAOYSA-N 1 2 352.398 2.781 20 5 FFBDLO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCc1ccn2cc[nH+]c2c1 ZINC000811817104 995268765 /nfs/dbraw/zinc/26/87/65/995268765.db2.gz OAWXMOSTXZAEIM-UHFFFAOYSA-N 1 2 351.366 2.747 20 5 FFBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1cc([N+](=O)[O-])ccc1C(C)(C)C ZINC000880706446 1015949945 /nfs/dbraw/zinc/94/99/45/1015949945.db2.gz LJLQIJKNAFRPRQ-CYBMUJFWSA-N 1 2 364.446 2.735 20 5 FFBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000843837746 997439317 /nfs/dbraw/zinc/43/93/17/997439317.db2.gz UQNNSCZBXUXBKK-UHFFFAOYSA-N 1 2 374.372 2.835 20 5 FFBDLO Cc1ccccc1OCC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000731016222 997619913 /nfs/dbraw/zinc/61/99/13/997619913.db2.gz HAJDAVWHRKUDFA-UHFFFAOYSA-N 1 2 369.421 2.740 20 5 FFBDLO C[C@@H](CC(=O)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)n1cc[nH+]c1 ZINC000845524247 998576154 /nfs/dbraw/zinc/57/61/54/998576154.db2.gz QXBSBAXMWRNNIG-JSGCOSHPSA-N 1 2 362.361 2.704 20 5 FFBDLO C[C@](O)(C1CC[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1)C(F)(F)F ZINC000767510742 1000118895 /nfs/dbraw/zinc/11/88/95/1000118895.db2.gz AOOSWJKIGGYJIV-HNNXBMFYSA-N 1 2 372.347 2.927 20 5 FFBDLO O=C1OCC[C@H]2C[N@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CCN12 ZINC000770388722 1000783684 /nfs/dbraw/zinc/78/36/84/1000783684.db2.gz FRZKGCSBSOMFQU-HNNXBMFYSA-N 1 2 357.366 2.881 20 5 FFBDLO O=C1OCC[C@H]2C[N@@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CCN12 ZINC000770388722 1000783689 /nfs/dbraw/zinc/78/36/89/1000783689.db2.gz FRZKGCSBSOMFQU-HNNXBMFYSA-N 1 2 357.366 2.881 20 5 FFBDLO CC(C)n1ccnc1COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785679720 1001467512 /nfs/dbraw/zinc/46/75/12/1001467512.db2.gz XRYLYCFKJJDUEC-UHFFFAOYSA-N 1 2 355.354 2.915 20 5 FFBDLO Cn1cc[nH+]c1CCCOC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000789791270 1002195902 /nfs/dbraw/zinc/19/59/02/1002195902.db2.gz JDAUGFRXLMMMJE-UHFFFAOYSA-N 1 2 358.398 2.718 20 5 FFBDLO C[NH+](C)[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000792116582 1002910654 /nfs/dbraw/zinc/91/06/54/1002910654.db2.gz COVOYUCETLYBGT-INIZCTEOSA-N 1 2 359.338 2.849 20 5 FFBDLO COc1nc(C)cc(C)c1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000805732142 1004125848 /nfs/dbraw/zinc/12/58/48/1004125848.db2.gz KCLUHMWLWXXJSN-UHFFFAOYSA-N 1 2 356.426 2.937 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCc2c[nH]c(C(C)C)[nH+]2)cc1C ZINC001195320448 1004941406 /nfs/dbraw/zinc/94/14/06/1004941406.db2.gz WMEVHJLXXCACMS-UHFFFAOYSA-N 1 2 352.416 2.537 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCc2c[nH+]c(C(C)C)[nH]2)cc1C ZINC001195320448 1004941407 /nfs/dbraw/zinc/94/14/07/1004941407.db2.gz WMEVHJLXXCACMS-UHFFFAOYSA-N 1 2 352.416 2.537 20 5 FFBDLO Cc1noc(C[N@@H+]2CCC23CCN(C(=O)OC(C)(C)C)CC3)c1[N+](=O)[O-] ZINC000852036418 1005935823 /nfs/dbraw/zinc/93/58/23/1005935823.db2.gz VMMJPZKZBVHXLN-UHFFFAOYSA-N 1 2 366.418 2.867 20 5 FFBDLO Cc1noc(C[N@H+]2CCC23CCN(C(=O)OC(C)(C)C)CC3)c1[N+](=O)[O-] ZINC000852036418 1005935824 /nfs/dbraw/zinc/93/58/24/1005935824.db2.gz VMMJPZKZBVHXLN-UHFFFAOYSA-N 1 2 366.418 2.867 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC2(CCCCO2)CC1 ZINC000882441154 1006399752 /nfs/dbraw/zinc/39/97/52/1006399752.db2.gz MGOSGGKJWMMRCW-UHFFFAOYSA-N 1 2 370.409 2.956 20 5 FFBDLO CCC(C)(C)NC(=O)[C@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000855085529 1007104073 /nfs/dbraw/zinc/10/40/73/1007104073.db2.gz JTZRGKKJKUOAPA-LBPRGKRZSA-N 1 2 374.397 2.631 20 5 FFBDLO O=C(O[C@@H]1CCC[C@H]1n1cccn1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000817756785 1007752147 /nfs/dbraw/zinc/75/21/47/1007752147.db2.gz DMCAHVBFTTXGJY-NVXWUHKLSA-N 1 2 367.365 2.928 20 5 FFBDLO O=C(NC1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1)c1ccc(F)cc1 ZINC000885940716 1007844079 /nfs/dbraw/zinc/84/40/79/1007844079.db2.gz PJZULZXHYBEMAJ-UHFFFAOYSA-N 1 2 358.373 2.523 20 5 FFBDLO Cc1ccc(O[C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC000858037258 1008285447 /nfs/dbraw/zinc/28/54/47/1008285447.db2.gz LWWMDOTWHQOHIN-PBHICJAKSA-N 1 2 370.409 2.779 20 5 FFBDLO Cc1ccc(O[C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC000858037258 1008285448 /nfs/dbraw/zinc/28/54/48/1008285448.db2.gz LWWMDOTWHQOHIN-PBHICJAKSA-N 1 2 370.409 2.779 20 5 FFBDLO O=[N+]([O-])c1ncccc1CN1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000886302450 1008631215 /nfs/dbraw/zinc/63/12/15/1008631215.db2.gz NGHSWMRMSJEQAB-UHFFFAOYSA-N 1 2 351.410 2.789 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@@](CO)(C(F)(F)F)C3)co2)cc1 ZINC000886808749 1008887794 /nfs/dbraw/zinc/88/77/94/1008887794.db2.gz OUEQMQMYENFKIK-OAHLLOKOSA-N 1 2 371.315 2.997 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@@](CO)(C(F)(F)F)C3)co2)cc1 ZINC000886808749 1008887811 /nfs/dbraw/zinc/88/78/11/1008887811.db2.gz OUEQMQMYENFKIK-OAHLLOKOSA-N 1 2 371.315 2.997 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1C ZINC000889540105 1010007699 /nfs/dbraw/zinc/00/76/99/1010007699.db2.gz RGWFPAFZLPOEGC-CVEARBPZSA-N 1 2 361.442 2.585 20 5 FFBDLO O=[N+]([O-])c1ccc2c(cnn2C[NH+]2CCC(Oc3ncccc3F)CC2)c1 ZINC000773350006 1011862032 /nfs/dbraw/zinc/86/20/32/1011862032.db2.gz FUBUFBGYZUXISZ-UHFFFAOYSA-N 1 2 371.372 2.980 20 5 FFBDLO COC(=O)[C@H](CCSC)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899818 1012074626 /nfs/dbraw/zinc/07/46/26/1012074626.db2.gz CUTXCIWNLZSCTM-HOCLYGCPSA-N 1 2 352.456 2.727 20 5 FFBDLO CC(C)OC(=O)[C@H](C)[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173006318 1012173846 /nfs/dbraw/zinc/17/38/46/1012173846.db2.gz QAIQWLYLRWHTJC-NSHDSACASA-N 1 2 371.384 2.772 20 5 FFBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001173226670 1012361421 /nfs/dbraw/zinc/36/14/21/1012361421.db2.gz NKLPTJVSRRTCIZ-HONMWMINSA-N 1 2 350.312 2.863 20 5 FFBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001173226670 1012361439 /nfs/dbraw/zinc/36/14/39/1012361439.db2.gz NKLPTJVSRRTCIZ-HONMWMINSA-N 1 2 350.312 2.863 20 5 FFBDLO COc1c(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)cccc1[N+](=O)[O-] ZINC000927077058 1018350567 /nfs/dbraw/zinc/35/05/67/1018350567.db2.gz HBFRDFOSPOOMBY-UHFFFAOYSA-N 1 2 356.382 2.715 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000470306620 1019057059 /nfs/dbraw/zinc/05/70/59/1019057059.db2.gz FZQYQCLSPCKWIS-OAHLLOKOSA-N 1 2 367.409 2.689 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CCC[C@H](C(F)(F)F)O3)CC2)cn1 ZINC000929171967 1019304238 /nfs/dbraw/zinc/30/42/38/1019304238.db2.gz RRMPOMDNPUMAGN-ZIAGYGMSSA-N 1 2 374.363 2.612 20 5 FFBDLO CCOc1cc(C[N@@H+]2CCc3nc[nH]c3C23CCOCC3)ccc1[N+](=O)[O-] ZINC000931108481 1020325203 /nfs/dbraw/zinc/32/52/03/1020325203.db2.gz ZSALRSGCNFQAMR-UHFFFAOYSA-N 1 2 372.425 2.781 20 5 FFBDLO CCOc1cc(C[N@H+]2CCc3nc[nH]c3C23CCOCC3)ccc1[N+](=O)[O-] ZINC000931108481 1020325213 /nfs/dbraw/zinc/32/52/13/1020325213.db2.gz ZSALRSGCNFQAMR-UHFFFAOYSA-N 1 2 372.425 2.781 20 5 FFBDLO CC(C)O[C@]1(C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000903358059 1020802445 /nfs/dbraw/zinc/80/24/45/1020802445.db2.gz RESOIWIHRDYSKX-HKUYNNGSSA-N 1 2 374.441 2.591 20 5 FFBDLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H]([C@@H]2CCCO2)C1 ZINC000933182874 1020973662 /nfs/dbraw/zinc/97/36/62/1020973662.db2.gz ZQSVEGBRAPKNSH-JLZZUVOBSA-N 1 2 366.389 2.667 20 5 FFBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H]([C@@H]2CCCO2)C1 ZINC000933182874 1020973668 /nfs/dbraw/zinc/97/36/68/1020973668.db2.gz ZQSVEGBRAPKNSH-JLZZUVOBSA-N 1 2 366.389 2.667 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000749665592 1021018984 /nfs/dbraw/zinc/01/89/84/1021018984.db2.gz NAJGFHRBZFYSOO-ROUUACIJSA-N 1 2 370.384 2.880 20 5 FFBDLO CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2CC[NH2+]CC2(F)F)c1 ZINC001218013153 1032951520 /nfs/dbraw/zinc/95/15/20/1032951520.db2.gz ZDSNDLMNUSJTTI-ZDUSSCGKSA-N 1 2 358.341 2.926 20 5 FFBDLO CCCSc1nc(O[C@H]2CCC[C@]23CC[NH2+]C3)c([N+](=O)[O-])c(=O)[nH]1 ZINC001218091467 1032988709 /nfs/dbraw/zinc/98/87/09/1032988709.db2.gz KHOVGIBIRUIRNU-ZUZCIYMTSA-N 1 2 354.432 2.504 20 5 FFBDLO Cc1cc2nc3nc(=O)[nH]c(OC4CC5(C4)CC[NH2+]CC5)c3nc2cc1C ZINC001218104926 1032995830 /nfs/dbraw/zinc/99/58/30/1032995830.db2.gz UPQKXFZDBRUWSJ-UHFFFAOYSA-N 1 2 365.437 2.806 20 5 FFBDLO O=[N+]([O-])c1cnn(CCSCc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC001117992202 1022004594 /nfs/dbraw/zinc/00/45/94/1022004594.db2.gz MSSILSQIGIYSMJ-UHFFFAOYSA-N 1 2 362.455 2.557 20 5 FFBDLO COc1cccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000192847626 1024290328 /nfs/dbraw/zinc/29/03/28/1024290328.db2.gz VFWOZCWOPQCORD-UHFFFAOYSA-N 1 2 352.350 2.719 20 5 FFBDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000759150211 1024494404 /nfs/dbraw/zinc/49/44/04/1024494404.db2.gz VLRQLKDIPWVEGB-QGZVFWFLSA-N 1 2 367.413 2.690 20 5 FFBDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000759150211 1024494408 /nfs/dbraw/zinc/49/44/08/1024494408.db2.gz VLRQLKDIPWVEGB-QGZVFWFLSA-N 1 2 367.413 2.690 20 5 FFBDLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001158861318 1027163306 /nfs/dbraw/zinc/16/33/06/1027163306.db2.gz QHHKURRJTXYQJH-OAHLLOKOSA-N 1 2 363.377 2.890 20 5 FFBDLO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000796166310 1028637379 /nfs/dbraw/zinc/63/73/79/1028637379.db2.gz ZLCLCBROLARNLL-CQSZACIVSA-N 1 2 366.374 2.604 20 5 FFBDLO CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000796166310 1028637382 /nfs/dbraw/zinc/63/73/82/1028637382.db2.gz ZLCLCBROLARNLL-CQSZACIVSA-N 1 2 366.374 2.604 20 5 FFBDLO O=C(NCc1cc(C(F)F)on1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001155547955 1028787147 /nfs/dbraw/zinc/78/71/47/1028787147.db2.gz MYXKXWOSTWXIKR-UHFFFAOYSA-N 1 2 363.280 2.636 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)c1ccc([N+](=O)[O-])cc1 ZINC000780765339 1028801233 /nfs/dbraw/zinc/80/12/33/1028801233.db2.gz YHRNWOUUTXUSJV-WMZOPIPTSA-N 1 2 372.450 2.977 20 5 FFBDLO COc1nc(C)c([N+](=O)[O-])c(N2CC[NH+](C/C=C/c3ccccc3)CC2)n1 ZINC001163845804 1029088984 /nfs/dbraw/zinc/08/89/84/1029088984.db2.gz QNDOIAUGVJXRDN-RMKNXTFCSA-N 1 2 369.425 2.537 20 5 FFBDLO Cc1c(NC(=O)NCCn2cc[nH+]c2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001220231937 1034057696 /nfs/dbraw/zinc/05/76/96/1034057696.db2.gz XNWUAFXCFIICPL-UHFFFAOYSA-N 1 2 357.292 2.940 20 5 FFBDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3c(F)cc(Br)cc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001228481424 1036136620 /nfs/dbraw/zinc/13/66/20/1036136620.db2.gz QZIYDHXRQRJUJW-RLCGTCKNSA-N 1 2 373.178 2.679 20 5 FFBDLO C[N@H+]1[C@@H]2C[C@@H](Oc3c(F)cc(Br)cc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001228481424 1036136632 /nfs/dbraw/zinc/13/66/32/1036136632.db2.gz QZIYDHXRQRJUJW-RLCGTCKNSA-N 1 2 373.178 2.679 20 5 FFBDLO CCCSc1nc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229794477 1036901854 /nfs/dbraw/zinc/90/18/54/1036901854.db2.gz ACUZIILPUBVASA-JGPRNRPPSA-N 1 2 354.432 2.597 20 5 FFBDLO CCCSc1nc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229794477 1036901870 /nfs/dbraw/zinc/90/18/70/1036901870.db2.gz ACUZIILPUBVASA-JGPRNRPPSA-N 1 2 354.432 2.597 20 5 FFBDLO CO[C@@H]1CC[N@H+](CCOc2c(F)cc([N+](=O)[O-])cc2Br)C1 ZINC001229898798 1036968265 /nfs/dbraw/zinc/96/82/65/1036968265.db2.gz KRDALOPDZWOSAQ-SNVBAGLBSA-N 1 2 363.183 2.596 20 5 FFBDLO CO[C@@H]1CC[N@@H+](CCOc2c(F)cc([N+](=O)[O-])cc2Br)C1 ZINC001229898798 1036968277 /nfs/dbraw/zinc/96/82/77/1036968277.db2.gz KRDALOPDZWOSAQ-SNVBAGLBSA-N 1 2 363.183 2.596 20 5 FFBDLO Nc1ccc(-c2[nH]c3cc(F)c(N4CCOCC4)cc3[nH+]2)cc1[N+](=O)[O-] ZINC001250953706 1038849729 /nfs/dbraw/zinc/84/97/29/1038849729.db2.gz LUJADWKCQVAZSC-UHFFFAOYSA-N 1 2 357.345 2.696 20 5 FFBDLO O=C(NCC[NH+]1Cc2ccccc2C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001252816195 1039716314 /nfs/dbraw/zinc/71/63/14/1039716314.db2.gz XARKSQWDKWALGZ-UHFFFAOYSA-N 1 2 366.421 2.678 20 5 FFBDLO CC(C)OCc1nnc2n1CC[N@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254562437 1040799597 /nfs/dbraw/zinc/79/95/97/1040799597.db2.gz QQRFEGBKSSDLLT-CQSZACIVSA-N 1 2 359.430 2.558 20 5 FFBDLO CC(C)OCc1nnc2n1CC[N@@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254562437 1040799608 /nfs/dbraw/zinc/79/96/08/1040799608.db2.gz QQRFEGBKSSDLLT-CQSZACIVSA-N 1 2 359.430 2.558 20 5 FFBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC001319529325 1045183741 /nfs/dbraw/zinc/18/37/41/1045183741.db2.gz OFVWPHLDPLGLQY-INIZCTEOSA-N 1 2 371.441 2.535 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCCSC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001308142609 1052416723 /nfs/dbraw/zinc/41/67/23/1052416723.db2.gz QRHDGJYAMPVRKA-LBPRGKRZSA-N 1 2 353.444 2.759 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+]2CCCSC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001308142609 1052416725 /nfs/dbraw/zinc/41/67/25/1052416725.db2.gz QRHDGJYAMPVRKA-LBPRGKRZSA-N 1 2 353.444 2.759 20 5 FFBDLO CN(C)c1[nH+]ccc2c1CN(c1ncnc3ccc([N+](=O)[O-])cc31)CC2 ZINC001348498530 1054744184 /nfs/dbraw/zinc/74/41/84/1054744184.db2.gz YBYTZQRLFAHXLL-UHFFFAOYSA-N 1 2 350.382 2.562 20 5 FFBDLO CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001356569487 1055588916 /nfs/dbraw/zinc/58/89/16/1055588916.db2.gz JFCJZUJMILLBPP-QGZVFWFLSA-N 1 2 370.457 2.926 20 5 FFBDLO CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001356569487 1055588928 /nfs/dbraw/zinc/58/89/28/1055588928.db2.gz JFCJZUJMILLBPP-QGZVFWFLSA-N 1 2 370.457 2.926 20 5 FFBDLO O=C(Nc1ccnn1C1CCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001456848702 1060215978 /nfs/dbraw/zinc/21/59/78/1060215978.db2.gz AILVOUPMMRNEKI-UHFFFAOYSA-N 1 2 352.354 2.954 20 5 FFBDLO COC(=O)/C=C\c1ccc(NCc2[nH]c3c([nH+]2)CCCC3)c([N+](=O)[O-])c1 ZINC001458634786 1060639010 /nfs/dbraw/zinc/63/90/10/1060639010.db2.gz AUJCTHAOZDFNQG-CLFYSBASSA-N 1 2 356.382 2.995 20 5 FFBDLO Cn1nc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c2ccccc21 ZINC001463379195 1062077014 /nfs/dbraw/zinc/07/70/14/1062077014.db2.gz XXWRQTUMQLSCEK-UHFFFAOYSA-N 1 2 362.349 2.920 20 5 FFBDLO COc1cccc2c1CN(C(=O)c1ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c1)C2 ZINC001532074558 1062969457 /nfs/dbraw/zinc/96/94/57/1062969457.db2.gz NXNMYKYQBMBYDD-UHFFFAOYSA-N 1 2 364.361 2.945 20 5 FFBDLO Cc1cc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc([N+](=O)[O-])c1 ZINC001440136125 1063268872 /nfs/dbraw/zinc/26/88/72/1063268872.db2.gz DXYXPKDLBPLASH-GOSISDBHSA-N 1 2 355.394 2.743 20 5 FFBDLO Cc1cc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc([N+](=O)[O-])c1 ZINC001440136125 1063268883 /nfs/dbraw/zinc/26/88/83/1063268883.db2.gz DXYXPKDLBPLASH-GOSISDBHSA-N 1 2 355.394 2.743 20 5 FFBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001441878981 1063477791 /nfs/dbraw/zinc/47/77/91/1063477791.db2.gz XJSQYBNCVINIKB-UHFFFAOYSA-N 1 2 350.697 2.548 20 5 FFBDLO O=C(Nc1nnc(C2CC2)s1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001584979250 1079411044 /nfs/dbraw/zinc/41/10/44/1079411044.db2.gz CDIHXWHKBQCQLP-UHFFFAOYSA-N 1 2 356.367 2.762 20 5 FFBDLO Nc1c(Cl)cc(C(=O)N2CCC(Cc3c[nH]c[nH+]3)CC2)cc1[N+](=O)[O-] ZINC001558852818 1076089780 /nfs/dbraw/zinc/08/97/80/1076089780.db2.gz AYWQOXFCKIXINW-UHFFFAOYSA-N 1 2 363.805 2.648 20 5 FFBDLO C[C@@H]([NH2+][C@H](CO)c1cc(F)ccc1F)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC001560224761 1076250694 /nfs/dbraw/zinc/25/06/94/1076250694.db2.gz FDIDZUTVCLAHRW-MEBBXXQBSA-N 1 2 365.336 2.523 20 5 FFBDLO O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC001586258987 1079585022 /nfs/dbraw/zinc/58/50/22/1079585022.db2.gz GEIBXNVHFVTCEP-UHFFFAOYSA-N 1 2 365.393 2.833 20 5 FFBDLO CC(C)OC(=O)[C@H](C)[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093772868 250046157 /nfs/dbraw/zinc/04/61/57/250046157.db2.gz KRVWVXKORWIDTJ-ZDUSSCGKSA-N 1 2 360.414 2.767 20 5 FFBDLO CC(C)OC(=O)[C@H](C)[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093772868 250046160 /nfs/dbraw/zinc/04/61/60/250046160.db2.gz KRVWVXKORWIDTJ-ZDUSSCGKSA-N 1 2 360.414 2.767 20 5 FFBDLO COc1cc(C[N@H+](C)[C@@H]2CCCc3c2cnn3C)c([N+](=O)[O-])cc1OC ZINC000093864001 250047967 /nfs/dbraw/zinc/04/79/67/250047967.db2.gz HBUZITYIMRHCDO-CQSZACIVSA-N 1 2 360.414 2.855 20 5 FFBDLO COc1cc(C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)c([N+](=O)[O-])cc1OC ZINC000093864001 250047970 /nfs/dbraw/zinc/04/79/70/250047970.db2.gz HBUZITYIMRHCDO-CQSZACIVSA-N 1 2 360.414 2.855 20 5 FFBDLO CC(C)c1[nH+]c2c(n1C)CCN(Cc1cc([N+](=O)[O-])cc3c1OCOC3)C2 ZINC000106371551 250265247 /nfs/dbraw/zinc/26/52/47/250265247.db2.gz QAHKALCOPIFMQF-UHFFFAOYSA-N 1 2 372.425 2.877 20 5 FFBDLO CC(C)c1nc2c(n1C)CC[N@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)C2 ZINC000106371551 250265252 /nfs/dbraw/zinc/26/52/52/250265252.db2.gz QAHKALCOPIFMQF-UHFFFAOYSA-N 1 2 372.425 2.877 20 5 FFBDLO CC(C)c1nc2c(n1C)CC[N@@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)C2 ZINC000106371551 250265255 /nfs/dbraw/zinc/26/52/55/250265255.db2.gz QAHKALCOPIFMQF-UHFFFAOYSA-N 1 2 372.425 2.877 20 5 FFBDLO C[C@@H](c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N)c1)[NH+]1CCOCC1 ZINC000276310473 256089136 /nfs/dbraw/zinc/08/91/36/256089136.db2.gz FKOKZGJTTPURSF-ZDUSSCGKSA-N 1 2 370.409 2.823 20 5 FFBDLO COC[C@@H]1CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](C)O1 ZINC000276070934 256070674 /nfs/dbraw/zinc/07/06/74/256070674.db2.gz SLTVBIGCBJHDCL-CJNGLKHVSA-N 1 2 358.398 2.600 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000277662837 256223418 /nfs/dbraw/zinc/22/34/18/256223418.db2.gz WQGYMRMNDXPDGP-UHFFFAOYSA-N 1 2 356.382 2.529 20 5 FFBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000285936525 257012216 /nfs/dbraw/zinc/01/22/16/257012216.db2.gz LZFVDNGBBGPDGH-KDOFPFPSSA-N 1 2 372.425 2.545 20 5 FFBDLO COc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c([N+](=O)[O-])cc1F ZINC000286664784 257048489 /nfs/dbraw/zinc/04/84/89/257048489.db2.gz UVMFRMCEPBWWEF-GHMZBOCLSA-N 1 2 366.311 2.735 20 5 FFBDLO COc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c([N+](=O)[O-])cc1F ZINC000286664784 257048490 /nfs/dbraw/zinc/04/84/90/257048490.db2.gz UVMFRMCEPBWWEF-GHMZBOCLSA-N 1 2 366.311 2.735 20 5 FFBDLO Cc1nn(CCC(=O)OCc2c[nH+]ccc2OC(C)C)c(C)c1[N+](=O)[O-] ZINC000286833130 257057351 /nfs/dbraw/zinc/05/73/51/257057351.db2.gz DKLHKNOPZRZRML-UHFFFAOYSA-N 1 2 362.386 2.724 20 5 FFBDLO O=C(C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000289472893 257282823 /nfs/dbraw/zinc/28/28/23/257282823.db2.gz HPGWFOLKFHTBCQ-HKUYNNGSSA-N 1 2 371.437 2.517 20 5 FFBDLO O=C(C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000289472893 257282824 /nfs/dbraw/zinc/28/28/24/257282824.db2.gz HPGWFOLKFHTBCQ-HKUYNNGSSA-N 1 2 371.437 2.517 20 5 FFBDLO O=C(NC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1)C(F)(F)F ZINC000289481127 257283636 /nfs/dbraw/zinc/28/36/36/257283636.db2.gz OBVBZNJBQLAHKE-LLVKDONJSA-N 1 2 363.311 2.624 20 5 FFBDLO O=C(NC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1)C(F)(F)F ZINC000289481127 257283637 /nfs/dbraw/zinc/28/36/37/257283637.db2.gz OBVBZNJBQLAHKE-LLVKDONJSA-N 1 2 363.311 2.624 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])c(-c2nc([C@H]3C[N@@H+](C4CC4)CCO3)no2)c1 ZINC000288914807 257237178 /nfs/dbraw/zinc/23/71/78/257237178.db2.gz CKSLBGKLEHAJSN-OAHLLOKOSA-N 1 2 360.370 2.579 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])c(-c2nc([C@H]3C[N@H+](C4CC4)CCO3)no2)c1 ZINC000288914807 257237180 /nfs/dbraw/zinc/23/71/80/257237180.db2.gz CKSLBGKLEHAJSN-OAHLLOKOSA-N 1 2 360.370 2.579 20 5 FFBDLO COCCOCC[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000290102689 257315310 /nfs/dbraw/zinc/31/53/10/257315310.db2.gz HSOQFXRUZCISHM-UHFFFAOYSA-N 1 2 351.428 2.813 20 5 FFBDLO COCCOCC[N@@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000290102689 257315311 /nfs/dbraw/zinc/31/53/11/257315311.db2.gz HSOQFXRUZCISHM-UHFFFAOYSA-N 1 2 351.428 2.813 20 5 FFBDLO COc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)c(OC)n1 ZINC000289541369 257286408 /nfs/dbraw/zinc/28/64/08/257286408.db2.gz JUABZMOODCKQJI-UHFFFAOYSA-N 1 2 369.324 2.898 20 5 FFBDLO CN(C(=O)C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000289561408 257287298 /nfs/dbraw/zinc/28/72/98/257287298.db2.gz NTYIZRYZLDSYHR-FUHWJXTLSA-N 1 2 359.426 2.591 20 5 FFBDLO CN(C(=O)C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000289561408 257287299 /nfs/dbraw/zinc/28/72/99/257287299.db2.gz NTYIZRYZLDSYHR-FUHWJXTLSA-N 1 2 359.426 2.591 20 5 FFBDLO O=C1C[N@H+](Cc2cccc(NCc3cc(Cl)ccc3[N+](=O)[O-])c2)CCN1 ZINC000291047961 257377134 /nfs/dbraw/zinc/37/71/34/257377134.db2.gz HSELWOCLJOERAU-UHFFFAOYSA-N 1 2 374.828 2.792 20 5 FFBDLO O=C1C[N@@H+](Cc2cccc(NCc3cc(Cl)ccc3[N+](=O)[O-])c2)CCN1 ZINC000291047961 257377135 /nfs/dbraw/zinc/37/71/35/257377135.db2.gz HSELWOCLJOERAU-UHFFFAOYSA-N 1 2 374.828 2.792 20 5 FFBDLO Cc1ccc([C@@H](CNc2c3c(ccc2[N+](=O)[O-])NCC3)[NH+]2CCOCC2)o1 ZINC000302444171 258102042 /nfs/dbraw/zinc/10/20/42/258102042.db2.gz NQWKSKUDJAMIRC-QGZVFWFLSA-N 1 2 372.425 2.950 20 5 FFBDLO Cc1cccc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)c1[N+](=O)[O-] ZINC000302525632 258105347 /nfs/dbraw/zinc/10/53/47/258105347.db2.gz ZTMWLUSVILSELU-MOPGFXCFSA-N 1 2 353.422 2.993 20 5 FFBDLO Cc1cccc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)c1[N+](=O)[O-] ZINC000302525632 258105349 /nfs/dbraw/zinc/10/53/49/258105349.db2.gz ZTMWLUSVILSELU-MOPGFXCFSA-N 1 2 353.422 2.993 20 5 FFBDLO O=[N+]([O-])c1cnc(N2CC[NH+](C3CCCC3)CC2)c(Br)c1 ZINC000301575969 258056572 /nfs/dbraw/zinc/05/65/72/258056572.db2.gz YRIIVEDVJZOHKZ-UHFFFAOYSA-N 1 2 355.236 2.817 20 5 FFBDLO Cc1cccc2[nH+]c(CNc3cccc(S(C)(=O)=O)c3[N+](=O)[O-])cn21 ZINC000301895507 258073295 /nfs/dbraw/zinc/07/32/95/258073295.db2.gz PYRNPKXGWPPQRF-UHFFFAOYSA-N 1 2 360.395 2.567 20 5 FFBDLO COc1cc(N2CC[NH+](Cc3cccc(O)c3)CC2)c(F)cc1[N+](=O)[O-] ZINC000301897365 258073334 /nfs/dbraw/zinc/07/33/34/258073334.db2.gz VRNFQMLVDHZVCN-UHFFFAOYSA-N 1 2 361.373 2.770 20 5 FFBDLO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000331304122 258181773 /nfs/dbraw/zinc/18/17/73/258181773.db2.gz YBGCKPPHVNBCNW-HFAKWTLXSA-N 1 2 355.822 2.668 20 5 FFBDLO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000331304122 258181774 /nfs/dbraw/zinc/18/17/74/258181774.db2.gz YBGCKPPHVNBCNW-HFAKWTLXSA-N 1 2 355.822 2.668 20 5 FFBDLO Cc1c(NC(=O)CC[N@H+]2C[C@H]3CCCCN3C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000332008720 258210019 /nfs/dbraw/zinc/21/00/19/258210019.db2.gz JSUQEZANNSMVID-GOEBONIOSA-N 1 2 360.458 2.790 20 5 FFBDLO Cc1c(NC(=O)CC[N@@H+]2C[C@H]3CCCCN3C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000332008720 258210020 /nfs/dbraw/zinc/21/00/20/258210020.db2.gz JSUQEZANNSMVID-GOEBONIOSA-N 1 2 360.458 2.790 20 5 FFBDLO CC(C)c1n[nH]c(C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)c1[N+](=O)[O-] ZINC000332239815 258220737 /nfs/dbraw/zinc/22/07/37/258220737.db2.gz PWBZYAFMCZRXNJ-LLVKDONJSA-N 1 2 374.445 2.680 20 5 FFBDLO Cc1noc([C@@H]2C[N@H+](Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CCN2C)n1 ZINC000332339990 258226143 /nfs/dbraw/zinc/22/61/43/258226143.db2.gz QRDNMEJABRWLPV-KRWDZBQOSA-N 1 2 359.430 2.898 20 5 FFBDLO Cc1noc([C@@H]2C[N@@H+](Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CCN2C)n1 ZINC000332339990 258226144 /nfs/dbraw/zinc/22/61/44/258226144.db2.gz QRDNMEJABRWLPV-KRWDZBQOSA-N 1 2 359.430 2.898 20 5 FFBDLO CCN1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000332369855 258227566 /nfs/dbraw/zinc/22/75/66/258227566.db2.gz FEJNBMGTEILMLC-HNNXBMFYSA-N 1 2 358.402 2.537 20 5 FFBDLO CCN1CCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000332405350 258229154 /nfs/dbraw/zinc/22/91/54/258229154.db2.gz LROSGTZWNUZDKH-MRXNPFEDSA-N 1 2 372.429 2.845 20 5 FFBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc(Br)cn3)CC2)n1 ZINC000332426246 258230161 /nfs/dbraw/zinc/23/01/61/258230161.db2.gz CADWPBWJZXGZQJ-UHFFFAOYSA-N 1 2 366.219 2.786 20 5 FFBDLO CCN1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000332442066 258230735 /nfs/dbraw/zinc/23/07/35/258230735.db2.gz RUOZBDQEHBMHRW-OAHLLOKOSA-N 1 2 358.402 2.537 20 5 FFBDLO Cn1c2ccccc2nc1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000109949858 132246016 /nfs/dbraw/zinc/24/60/16/132246016.db2.gz BMFFISUMFPCFIY-UHFFFAOYSA-N 1 2 351.410 2.804 20 5 FFBDLO CCc1cc(N2CC[S@@](=O)CC[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000373024891 512137763 /nfs/dbraw/zinc/13/77/63/512137763.db2.gz DHGFGHJIRWPRNM-SRGMZFCMSA-N 1 2 374.466 2.962 20 5 FFBDLO COCc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000032176689 506233151 /nfs/dbraw/zinc/23/31/51/506233151.db2.gz RAVDIOFNKMJUIL-UHFFFAOYSA-N 1 2 366.377 2.857 20 5 FFBDLO C[N@@H+]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H](c2ccccc2)C1 ZINC000032313887 506242101 /nfs/dbraw/zinc/24/21/01/506242101.db2.gz RZSNWLFJHUURRB-QGZVFWFLSA-N 1 2 365.393 2.600 20 5 FFBDLO C[N@H+]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H](c2ccccc2)C1 ZINC000032313887 506242109 /nfs/dbraw/zinc/24/21/09/506242109.db2.gz RZSNWLFJHUURRB-QGZVFWFLSA-N 1 2 365.393 2.600 20 5 FFBDLO Cc1ccc(C(=O)N2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000065534527 506318952 /nfs/dbraw/zinc/31/89/52/506318952.db2.gz MXJYSCLNQACTBP-UHFFFAOYSA-N 1 2 369.421 2.740 20 5 FFBDLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000366728257 512161546 /nfs/dbraw/zinc/16/15/46/512161546.db2.gz HKJQEVJXIVMTOO-CXAGYDPISA-N 1 2 355.394 2.551 20 5 FFBDLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000366728257 512161549 /nfs/dbraw/zinc/16/15/49/512161549.db2.gz HKJQEVJXIVMTOO-CXAGYDPISA-N 1 2 355.394 2.551 20 5 FFBDLO COc1cc(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc([N+](=O)[O-])c1C ZINC000366807157 512194637 /nfs/dbraw/zinc/19/46/37/512194637.db2.gz HFQZKUKGBFOFMI-UHFFFAOYSA-N 1 2 358.398 2.717 20 5 FFBDLO O=C(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1c[nH]c2ccccc12 ZINC000373243001 512237327 /nfs/dbraw/zinc/23/73/27/512237327.db2.gz MXFIKGUMYONEQX-UHFFFAOYSA-N 1 2 353.382 2.792 20 5 FFBDLO O=C(C[NH+]1CCC(F)(c2cccnc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000375364928 512287590 /nfs/dbraw/zinc/28/75/90/512287590.db2.gz YMJGZQAXVOSPPE-UHFFFAOYSA-N 1 2 358.373 2.889 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccno3)CC2)c(C(F)(F)F)c1 ZINC000066854695 506669322 /nfs/dbraw/zinc/66/93/22/506669322.db2.gz AICAKTOEXUGGIT-UHFFFAOYSA-N 1 2 356.304 2.924 20 5 FFBDLO CSc1ccc(C(=O)N2CC[NH+](Cc3ccco3)CC2)cc1[N+](=O)[O-] ZINC000009852716 506714494 /nfs/dbraw/zinc/71/44/94/506714494.db2.gz XRSXXAQAFDLZAU-UHFFFAOYSA-N 1 2 361.423 2.868 20 5 FFBDLO NC(=O)[C@@H](c1ccccc1)[NH+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000012819561 506905278 /nfs/dbraw/zinc/90/52/78/506905278.db2.gz WSEJSGGUJVMSJG-QGZVFWFLSA-N 1 2 374.828 2.597 20 5 FFBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000373403404 512313318 /nfs/dbraw/zinc/31/33/18/512313318.db2.gz HEMMBOKPDSNUSQ-UHFFFAOYSA-N 1 2 358.398 2.799 20 5 FFBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046943499 507227774 /nfs/dbraw/zinc/22/77/74/507227774.db2.gz BJLYXZTWDNVGIU-UHFFFAOYSA-N 1 2 369.425 2.800 20 5 FFBDLO CCOc1ccc(C(=O)NCc2cn3c(cccc3C)[nH+]2)cc1[N+](=O)[O-] ZINC000068570002 507273617 /nfs/dbraw/zinc/27/36/17/507273617.db2.gz OVOYFHNUOVPZHB-UHFFFAOYSA-N 1 2 354.366 2.880 20 5 FFBDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000024082366 507389585 /nfs/dbraw/zinc/38/95/85/507389585.db2.gz VDZBUNFGNKBLTG-UHFFFAOYSA-N 1 2 369.421 2.870 20 5 FFBDLO CNc1ccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1[N+](=O)[O-] ZINC000026000314 507551544 /nfs/dbraw/zinc/55/15/44/507551544.db2.gz SWVGZBMLQBKHJD-UHFFFAOYSA-N 1 2 355.398 2.562 20 5 FFBDLO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1Cl ZINC000070880207 507650864 /nfs/dbraw/zinc/65/08/64/507650864.db2.gz RTGGIXUIBOLERO-HNNXBMFYSA-N 1 2 363.801 2.987 20 5 FFBDLO NC(=O)c1ccc(C[NH+]2CCN(c3ccccc3Cl)CC2)c([N+](=O)[O-])c1 ZINC000071813399 507718178 /nfs/dbraw/zinc/71/81/78/507718178.db2.gz IYJAOSCXOUTFBY-UHFFFAOYSA-N 1 2 374.828 2.669 20 5 FFBDLO Nc1c(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc(F)cc1[N+](=O)[O-] ZINC000063659359 507755853 /nfs/dbraw/zinc/75/58/53/507755853.db2.gz WVNKUIRBNMXISO-UHFFFAOYSA-N 1 2 373.319 2.571 20 5 FFBDLO O=[N+]([O-])c1c(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)nc2sccn21 ZINC000029852497 507793286 /nfs/dbraw/zinc/79/32/86/507793286.db2.gz PZUDEMOISBPURC-CQSZACIVSA-N 1 2 373.438 2.617 20 5 FFBDLO O=[N+]([O-])c1c(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nc2sccn21 ZINC000029852497 507793288 /nfs/dbraw/zinc/79/32/88/507793288.db2.gz PZUDEMOISBPURC-CQSZACIVSA-N 1 2 373.438 2.617 20 5 FFBDLO O=[N+]([O-])c1cc(I)ccc1NCCCn1cc[nH+]c1 ZINC000107797596 507868041 /nfs/dbraw/zinc/86/80/41/507868041.db2.gz XNOJXMFVPKDXEE-UHFFFAOYSA-N 1 2 372.166 2.898 20 5 FFBDLO Cc1c(NC(=O)CC[N@@H+](C)Cc2nccn2C(F)F)cccc1[N+](=O)[O-] ZINC000072765625 507851037 /nfs/dbraw/zinc/85/10/37/507851037.db2.gz GVPOKZSDNUXVJT-UHFFFAOYSA-N 1 2 367.356 2.955 20 5 FFBDLO Cc1c(NC(=O)CC[N@H+](C)Cc2nccn2C(F)F)cccc1[N+](=O)[O-] ZINC000072765625 507851041 /nfs/dbraw/zinc/85/10/41/507851041.db2.gz GVPOKZSDNUXVJT-UHFFFAOYSA-N 1 2 367.356 2.955 20 5 FFBDLO C[C@H]1C[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC000072873564 507868339 /nfs/dbraw/zinc/86/83/39/507868339.db2.gz FTJATOZWVLECPC-UWVGGRQHSA-N 1 2 356.220 2.884 20 5 FFBDLO O=C(NCc1ccc(-n2cc[nH+]c2)nc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000073952509 507970725 /nfs/dbraw/zinc/97/07/25/507970725.db2.gz WOUZSMOCZIAVHA-UHFFFAOYSA-N 1 2 357.757 2.759 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H]3[C@H](O)C(F)(F)F)n2)c1 ZINC000109759004 507984764 /nfs/dbraw/zinc/98/47/64/507984764.db2.gz JEVJYTCJQIPMQX-AAEUAGOBSA-N 1 2 372.303 2.532 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H]3[C@H](O)C(F)(F)F)n2)c1 ZINC000109759004 507984766 /nfs/dbraw/zinc/98/47/66/507984766.db2.gz JEVJYTCJQIPMQX-AAEUAGOBSA-N 1 2 372.303 2.532 20 5 FFBDLO O=[N+]([O-])c1ccc(C[N@H+](CCO)Cc2cnn(Cc3ccccc3)c2)cc1 ZINC000109790912 507986871 /nfs/dbraw/zinc/98/68/71/507986871.db2.gz WRXJYXYWCZDBMR-UHFFFAOYSA-N 1 2 366.421 2.834 20 5 FFBDLO O=[N+]([O-])c1ccc(C[N@@H+](CCO)Cc2cnn(Cc3ccccc3)c2)cc1 ZINC000109790912 507986873 /nfs/dbraw/zinc/98/68/73/507986873.db2.gz WRXJYXYWCZDBMR-UHFFFAOYSA-N 1 2 366.421 2.834 20 5 FFBDLO COC(=O)C1([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCCCC1 ZINC000109800010 507988096 /nfs/dbraw/zinc/98/80/96/507988096.db2.gz KKCDZIOJQXLCSB-UHFFFAOYSA-N 1 2 363.414 2.697 20 5 FFBDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccncc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000080054363 508031209 /nfs/dbraw/zinc/03/12/09/508031209.db2.gz DKNVVENRMDCFJQ-OAHLLOKOSA-N 1 2 369.425 2.578 20 5 FFBDLO C[C@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000110637565 508038838 /nfs/dbraw/zinc/03/88/38/508038838.db2.gz XQNHIAPYYOLGRA-HNNXBMFYSA-N 1 2 369.421 2.918 20 5 FFBDLO Cc1cc(C(=O)NC2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)c(C)o1 ZINC000093009185 508114053 /nfs/dbraw/zinc/11/40/53/508114053.db2.gz CWWYQTCOSAGHDS-UHFFFAOYSA-N 1 2 373.409 2.905 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(Cc3nccn3C(F)F)CC2)cc1 ZINC000081600675 508194925 /nfs/dbraw/zinc/19/49/25/508194925.db2.gz GXTMCICDHZBFHV-UHFFFAOYSA-N 1 2 351.357 2.504 20 5 FFBDLO Cc1cc(NC[C@H](O)C2CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000076690684 508241627 /nfs/dbraw/zinc/24/16/27/508241627.db2.gz GWWIFVATPUIMPE-INIZCTEOSA-N 1 2 358.398 2.560 20 5 FFBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000084090904 508265713 /nfs/dbraw/zinc/26/57/13/508265713.db2.gz AZAAPDOGECQDSZ-HIFRSBDPSA-N 1 2 367.427 2.524 20 5 FFBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000084090904 508265714 /nfs/dbraw/zinc/26/57/14/508265714.db2.gz AZAAPDOGECQDSZ-HIFRSBDPSA-N 1 2 367.427 2.524 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000367213608 512389051 /nfs/dbraw/zinc/38/90/51/512389051.db2.gz XJIZTQQVYZVNIV-SNVBAGLBSA-N 1 2 374.781 2.636 20 5 FFBDLO C[C@H](C(=O)NCCc1ccccc1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607436 508379110 /nfs/dbraw/zinc/37/91/10/508379110.db2.gz YGJHXVDNIQLIMI-OAHLLOKOSA-N 1 2 353.422 2.700 20 5 FFBDLO C[C@H](C(=O)NCCc1ccccc1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607436 508379112 /nfs/dbraw/zinc/37/91/12/508379112.db2.gz YGJHXVDNIQLIMI-OAHLLOKOSA-N 1 2 353.422 2.700 20 5 FFBDLO CCOC(=O)c1ccnc(NCc2cn3cc(C)ccc3[nH+]2)c1[N+](=O)[O-] ZINC000077931742 508393424 /nfs/dbraw/zinc/39/34/24/508393424.db2.gz SIVOKWWLAGXZJK-UHFFFAOYSA-N 1 2 355.354 2.735 20 5 FFBDLO COC(=O)C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000127201570 508414119 /nfs/dbraw/zinc/41/41/19/508414119.db2.gz GVVCIRFGJYGTQM-INIZCTEOSA-N 1 2 360.366 2.619 20 5 FFBDLO COC(=O)C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000127201570 508414121 /nfs/dbraw/zinc/41/41/21/508414121.db2.gz GVVCIRFGJYGTQM-INIZCTEOSA-N 1 2 360.366 2.619 20 5 FFBDLO O=C1[C@H]([N@@H+]2CCc3ccc(F)cc3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000133850427 508458679 /nfs/dbraw/zinc/45/86/79/508458679.db2.gz XAAZLROHPRLAEO-GOSISDBHSA-N 1 2 355.369 2.898 20 5 FFBDLO O=C1[C@H]([N@H+]2CCc3ccc(F)cc3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000133850427 508458683 /nfs/dbraw/zinc/45/86/83/508458683.db2.gz XAAZLROHPRLAEO-GOSISDBHSA-N 1 2 355.369 2.898 20 5 FFBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000152550820 508467932 /nfs/dbraw/zinc/46/79/32/508467932.db2.gz QUYMKLCMKVJOAV-LBPRGKRZSA-N 1 2 358.423 2.720 20 5 FFBDLO O=C([C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-])N1CCSCC1 ZINC000116277667 508493727 /nfs/dbraw/zinc/49/37/27/508493727.db2.gz GSOHJMVHSBCJON-CQSZACIVSA-N 1 2 369.874 2.788 20 5 FFBDLO O=C([C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-])N1CCSCC1 ZINC000116277667 508493732 /nfs/dbraw/zinc/49/37/32/508493732.db2.gz GSOHJMVHSBCJON-CQSZACIVSA-N 1 2 369.874 2.788 20 5 FFBDLO O=C(C[C@@H]1COCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000134191316 508505641 /nfs/dbraw/zinc/50/56/41/508505641.db2.gz WFOCHYAIVWRWKX-GOSISDBHSA-N 1 2 370.405 2.947 20 5 FFBDLO O=C(C[C@@H]1COCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000134191316 508505647 /nfs/dbraw/zinc/50/56/47/508505647.db2.gz WFOCHYAIVWRWKX-GOSISDBHSA-N 1 2 370.405 2.947 20 5 FFBDLO COCCn1c(C)cc(C(=O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1C ZINC000153081108 508546017 /nfs/dbraw/zinc/54/60/17/508546017.db2.gz KEVKMASVNVQVPB-UHFFFAOYSA-N 1 2 371.437 2.901 20 5 FFBDLO COCCn1c(C)cc(C(=O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1C ZINC000153081108 508546019 /nfs/dbraw/zinc/54/60/19/508546019.db2.gz KEVKMASVNVQVPB-UHFFFAOYSA-N 1 2 371.437 2.901 20 5 FFBDLO C[C@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153360817 508575108 /nfs/dbraw/zinc/57/51/08/508575108.db2.gz OOPRKTUDUBXBFX-AWEZNQCLSA-N 1 2 351.406 2.931 20 5 FFBDLO C[C@H]1Cc2ccccc2N1C(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153360817 508575112 /nfs/dbraw/zinc/57/51/12/508575112.db2.gz OOPRKTUDUBXBFX-AWEZNQCLSA-N 1 2 351.406 2.931 20 5 FFBDLO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H]1CCS(=O)(=O)C1 ZINC000157595194 508585661 /nfs/dbraw/zinc/58/56/61/508585661.db2.gz VJKLSLGFCAPHPE-LBPRGKRZSA-N 1 2 366.464 2.942 20 5 FFBDLO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H]1CCS(=O)(=O)C1 ZINC000157595194 508585663 /nfs/dbraw/zinc/58/56/63/508585663.db2.gz VJKLSLGFCAPHPE-LBPRGKRZSA-N 1 2 366.464 2.942 20 5 FFBDLO COc1ccc(-c2ccc(C[NH+]3CCN(C(C)=O)CC3)o2)c([N+](=O)[O-])c1 ZINC000157853473 508622407 /nfs/dbraw/zinc/62/24/07/508622407.db2.gz DQTGCTSYLUNUJR-UHFFFAOYSA-N 1 2 359.382 2.528 20 5 FFBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000158343119 508691005 /nfs/dbraw/zinc/69/10/05/508691005.db2.gz UZLXXRSDRUTDIZ-LBPRGKRZSA-N 1 2 360.439 2.758 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCC[C@H]1c1ncon1 ZINC000123712820 508728589 /nfs/dbraw/zinc/72/85/89/508728589.db2.gz CEHQPKGXVJVABJ-AWEZNQCLSA-N 1 2 368.353 2.531 20 5 FFBDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000154840966 508867402 /nfs/dbraw/zinc/86/74/02/508867402.db2.gz OLHRKANQYOLPNA-CYBMUJFWSA-N 1 2 363.377 2.547 20 5 FFBDLO CCc1nn(C)c(N(C)Cc2[nH+]ccn2Cc2ccccc2)c1[N+](=O)[O-] ZINC000159703610 508878437 /nfs/dbraw/zinc/87/84/37/508878437.db2.gz PSRLBPVDZARZHS-UHFFFAOYSA-N 1 2 354.414 2.772 20 5 FFBDLO C[C@H](C[S@](C)=O)[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000131072620 508883934 /nfs/dbraw/zinc/88/39/34/508883934.db2.gz PNEWTYWGXKEJIW-QVQLBTGDSA-N 1 2 353.469 2.917 20 5 FFBDLO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000131072620 508883935 /nfs/dbraw/zinc/88/39/35/508883935.db2.gz PNEWTYWGXKEJIW-QVQLBTGDSA-N 1 2 353.469 2.917 20 5 FFBDLO COc1ccc(F)cc1C[NH+]1CCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000120292272 508965978 /nfs/dbraw/zinc/96/59/78/508965978.db2.gz OQLMGKANKOYATA-UHFFFAOYSA-N 1 2 360.389 2.768 20 5 FFBDLO COc1cc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])cc1OC ZINC000125345670 508969253 /nfs/dbraw/zinc/96/92/53/508969253.db2.gz JRILVKXZSJCUKH-IUODEOHRSA-N 1 2 374.397 2.532 20 5 FFBDLO Cc1cccn2cc(CCNC(=O)NCCc3cccc([N+](=O)[O-])c3)[nH+]c12 ZINC000120362326 508981402 /nfs/dbraw/zinc/98/14/02/508981402.db2.gz CALOYIVPWQMORI-UHFFFAOYSA-N 1 2 367.409 2.635 20 5 FFBDLO COc1cc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cc2c1OCO2 ZINC000160427548 508985301 /nfs/dbraw/zinc/98/53/01/508985301.db2.gz JQQCHBFNJDYVJO-UHFFFAOYSA-N 1 2 371.393 2.654 20 5 FFBDLO CCNc1ccc(C(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000411016967 512438424 /nfs/dbraw/zinc/43/84/24/512438424.db2.gz INELHCQHIXUBRB-HNNXBMFYSA-N 1 2 357.414 2.983 20 5 FFBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182440165 509237971 /nfs/dbraw/zinc/23/79/71/509237971.db2.gz FKYSWXSZIVHHLC-UHFFFAOYSA-N 1 2 362.292 2.774 20 5 FFBDLO O=C1Nc2ccccc2CC[C@@H]1[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000191927557 509249794 /nfs/dbraw/zinc/24/97/94/509249794.db2.gz CJWDBHLAYATOKW-IBGZPJMESA-N 1 2 366.421 2.670 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000172882168 509289242 /nfs/dbraw/zinc/28/92/42/509289242.db2.gz LBDFUUTXYKWYCO-UHFFFAOYSA-N 1 2 355.394 2.988 20 5 FFBDLO COC(=O)[C@H](c1ccccc1C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000248616678 509393540 /nfs/dbraw/zinc/39/35/40/509393540.db2.gz KOQDCDRWKQOBLH-KDOFPFPSSA-N 1 2 370.409 2.699 20 5 FFBDLO COC(=O)[C@H](c1ccccc1C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000248616678 509393543 /nfs/dbraw/zinc/39/35/43/509393543.db2.gz KOQDCDRWKQOBLH-KDOFPFPSSA-N 1 2 370.409 2.699 20 5 FFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000192653666 509583578 /nfs/dbraw/zinc/58/35/78/509583578.db2.gz WDFQYQLCVTWXTL-CZUORRHYSA-N 1 2 371.393 2.694 20 5 FFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000192653666 509583586 /nfs/dbraw/zinc/58/35/86/509583586.db2.gz WDFQYQLCVTWXTL-CZUORRHYSA-N 1 2 371.393 2.694 20 5 FFBDLO C[C@H]1CO[C@H](c2cccc(Cl)c2)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000189490498 509601861 /nfs/dbraw/zinc/60/18/61/509601861.db2.gz MCZMPRNQTYEFOR-WFASDCNBSA-N 1 2 350.806 2.907 20 5 FFBDLO C[C@H]1CO[C@H](c2cccc(Cl)c2)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000189490498 509601865 /nfs/dbraw/zinc/60/18/65/509601865.db2.gz MCZMPRNQTYEFOR-WFASDCNBSA-N 1 2 350.806 2.907 20 5 FFBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCCCNc1cccc[nH+]1 ZINC000189801146 509760550 /nfs/dbraw/zinc/76/05/50/509760550.db2.gz TWNRBDMSPAZVMK-UHFFFAOYSA-N 1 2 364.427 2.698 20 5 FFBDLO COc1cc(C[N@@H+]2CCOC[C@H]2C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180196657 509805471 /nfs/dbraw/zinc/80/54/71/509805471.db2.gz KONCYKXYYRSHPU-AWEZNQCLSA-N 1 2 372.368 2.858 20 5 FFBDLO COc1cc(C[N@H+]2CCOC[C@H]2C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180196657 509805481 /nfs/dbraw/zinc/80/54/81/509805481.db2.gz KONCYKXYYRSHPU-AWEZNQCLSA-N 1 2 372.368 2.858 20 5 FFBDLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@H]1C ZINC000251927270 509827218 /nfs/dbraw/zinc/82/72/18/509827218.db2.gz VAVXZTXNTKKYLS-IXDOHACOSA-N 1 2 374.485 2.658 20 5 FFBDLO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2nnc3ccccn32)cccc1[N+](=O)[O-] ZINC000193323217 509867017 /nfs/dbraw/zinc/86/70/17/509867017.db2.gz CVTPEPPMDGQIJP-QWHCGFSZSA-N 1 2 368.397 2.624 20 5 FFBDLO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000245400310 509902405 /nfs/dbraw/zinc/90/24/05/509902405.db2.gz BQYUJHXSQXPPPQ-ZTNFWEORSA-N 1 2 372.421 2.797 20 5 FFBDLO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000245400310 509902414 /nfs/dbraw/zinc/90/24/14/509902414.db2.gz BQYUJHXSQXPPPQ-ZTNFWEORSA-N 1 2 372.421 2.797 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000265208825 509922132 /nfs/dbraw/zinc/92/21/32/509922132.db2.gz FGTRAKIAMQVQDA-HNNXBMFYSA-N 1 2 354.410 2.817 20 5 FFBDLO O=C(C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000193578195 509973090 /nfs/dbraw/zinc/97/30/90/509973090.db2.gz RXODPCRMQWQUSM-NSHDSACASA-N 1 2 363.805 2.789 20 5 FFBDLO O=C(C[N@H+]1CCC[C@H](c2cc[nH]n2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000193578195 509973096 /nfs/dbraw/zinc/97/30/96/509973096.db2.gz RXODPCRMQWQUSM-NSHDSACASA-N 1 2 363.805 2.789 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3ccccc3O)CC2)c([N+](=O)[O-])c1 ZINC000193595371 509983773 /nfs/dbraw/zinc/98/37/73/509983773.db2.gz PWHQNIKAWAUYLU-UHFFFAOYSA-N 1 2 358.354 2.531 20 5 FFBDLO Cc1cc(NC(=O)[C@@H](C)[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)on1 ZINC000174244711 510021557 /nfs/dbraw/zinc/02/15/57/510021557.db2.gz PXLMEORVQATZKK-CYBMUJFWSA-N 1 2 374.397 2.762 20 5 FFBDLO Nc1cccc([N+](=O)[O-])c1C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000180851818 510144689 /nfs/dbraw/zinc/14/46/89/510144689.db2.gz UWFFGXVVXGVMAP-UHFFFAOYSA-N 1 2 365.393 2.546 20 5 FFBDLO CC(C)(C(=O)NCCc1cn2ccccc2[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000265708980 510187868 /nfs/dbraw/zinc/18/78/68/510187868.db2.gz MYSHKGPMRXXJGJ-UHFFFAOYSA-N 1 2 352.394 2.879 20 5 FFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000174749064 510291066 /nfs/dbraw/zinc/29/10/66/510291066.db2.gz ZHJXVTUETATOTL-LKFCYVNXSA-N 1 2 372.303 2.705 20 5 FFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000174749064 510291070 /nfs/dbraw/zinc/29/10/70/510291070.db2.gz ZHJXVTUETATOTL-LKFCYVNXSA-N 1 2 372.303 2.705 20 5 FFBDLO CCN(CC)c1ccc(CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])c[nH+]1 ZINC000269341584 510349033 /nfs/dbraw/zinc/34/90/33/510349033.db2.gz DCAVEERRWBQYGI-UHFFFAOYSA-N 1 2 360.418 2.613 20 5 FFBDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269375727 510370229 /nfs/dbraw/zinc/37/02/29/510370229.db2.gz NKVZJZVQYBGXKV-UHFFFAOYSA-N 1 2 370.413 2.920 20 5 FFBDLO C[C@@H](c1nccs1)N1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000184643579 510437460 /nfs/dbraw/zinc/43/74/60/510437460.db2.gz FZQNADFCCMMGKM-AWEZNQCLSA-N 1 2 362.455 2.809 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+](C)[C@H](CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000269559823 510461077 /nfs/dbraw/zinc/46/10/77/510461077.db2.gz KKKMZGRPCZYGHB-GOSISDBHSA-N 1 2 373.409 2.597 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+](C)[C@H](CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000269559823 510461086 /nfs/dbraw/zinc/46/10/86/510461086.db2.gz KKKMZGRPCZYGHB-GOSISDBHSA-N 1 2 373.409 2.597 20 5 FFBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000184926916 510589936 /nfs/dbraw/zinc/58/99/36/510589936.db2.gz PIVWJNSEUYKVGQ-JQIJEIRASA-N 1 2 366.421 2.738 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000247306110 510856116 /nfs/dbraw/zinc/85/61/16/510856116.db2.gz LQAYLOKHLHLRRF-MSOLQXFVSA-N 1 2 350.415 2.762 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000247306110 510856117 /nfs/dbraw/zinc/85/61/17/510856117.db2.gz LQAYLOKHLHLRRF-MSOLQXFVSA-N 1 2 350.415 2.762 20 5 FFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000285363065 510877580 /nfs/dbraw/zinc/87/75/80/510877580.db2.gz QKHNEKQKIZMBCI-UGSOOPFHSA-N 1 2 374.397 2.587 20 5 FFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000285363065 510877587 /nfs/dbraw/zinc/87/75/87/510877587.db2.gz QKHNEKQKIZMBCI-UGSOOPFHSA-N 1 2 374.397 2.587 20 5 FFBDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)C2 ZINC000364530896 510918695 /nfs/dbraw/zinc/91/86/95/510918695.db2.gz OPUDYUUJXARRLU-CQSZACIVSA-N 1 2 356.426 2.905 20 5 FFBDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000364530896 510918697 /nfs/dbraw/zinc/91/86/97/510918697.db2.gz OPUDYUUJXARRLU-CQSZACIVSA-N 1 2 356.426 2.905 20 5 FFBDLO C[N@H+](CCNC(=O)OC(C)(C)C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000297405929 510933858 /nfs/dbraw/zinc/93/38/58/510933858.db2.gz KWETWXQVBDENHX-UHFFFAOYSA-N 1 2 350.375 2.693 20 5 FFBDLO C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000297405929 510933862 /nfs/dbraw/zinc/93/38/62/510933862.db2.gz KWETWXQVBDENHX-UHFFFAOYSA-N 1 2 350.375 2.693 20 5 FFBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000285668444 511002536 /nfs/dbraw/zinc/00/25/36/511002536.db2.gz MMYTZXVJKGBABL-DGCLKSJQSA-N 1 2 368.821 2.575 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1c(F)cncc1F ZINC000285687296 511011276 /nfs/dbraw/zinc/01/12/76/511011276.db2.gz NOXOYONYLMQRTQ-SNVBAGLBSA-N 1 2 350.325 2.866 20 5 FFBDLO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000279295599 511035266 /nfs/dbraw/zinc/03/52/66/511035266.db2.gz YRHSCVHZWGREJH-UHFFFAOYSA-N 1 2 373.388 2.631 20 5 FFBDLO CSC[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000294586016 511112962 /nfs/dbraw/zinc/11/29/62/511112962.db2.gz HXJQUCJFPSKIJC-CYBMUJFWSA-N 1 2 360.439 2.996 20 5 FFBDLO Cn1c[nH+]cc1CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000291226283 511163246 /nfs/dbraw/zinc/16/32/46/511163246.db2.gz WIEMOEINZBUWMA-UHFFFAOYSA-N 1 2 351.235 2.990 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000279731651 511193102 /nfs/dbraw/zinc/19/31/02/511193102.db2.gz JPOKWZRVMOZFBA-AWEZNQCLSA-N 1 2 350.415 2.763 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000279731651 511193107 /nfs/dbraw/zinc/19/31/07/511193107.db2.gz JPOKWZRVMOZFBA-AWEZNQCLSA-N 1 2 350.415 2.763 20 5 FFBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000298208510 511209904 /nfs/dbraw/zinc/20/99/04/511209904.db2.gz YWQKQRCAWZDRIG-UHFFFAOYSA-N 1 2 367.331 2.726 20 5 FFBDLO C[C@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1[N+](=O)[O-] ZINC000271667956 511281501 /nfs/dbraw/zinc/28/15/01/511281501.db2.gz HLBSPCAPWSOZHR-KBPBESRZSA-N 1 2 355.398 2.629 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(c2ccncn2)CC1 ZINC000298532125 511318363 /nfs/dbraw/zinc/31/83/63/511318363.db2.gz WNLWTDDHJGBHGN-UHFFFAOYSA-N 1 2 355.398 2.511 20 5 FFBDLO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC2(CCOCC2)O1 ZINC000280377377 511442658 /nfs/dbraw/zinc/44/26/58/511442658.db2.gz DZIHWTCRPIBFRJ-LBPRGKRZSA-N 1 2 372.368 2.966 20 5 FFBDLO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC2(CCOCC2)O1 ZINC000280377377 511442664 /nfs/dbraw/zinc/44/26/64/511442664.db2.gz DZIHWTCRPIBFRJ-LBPRGKRZSA-N 1 2 372.368 2.966 20 5 FFBDLO Cn1c(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])nc2ccccc2c1=O ZINC000292247468 511521420 /nfs/dbraw/zinc/52/14/20/511521420.db2.gz XKFUYNPWGWFDOJ-UHFFFAOYSA-N 1 2 352.394 2.867 20 5 FFBDLO Cc1[nH+]ccn1-c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cn1 ZINC000363418141 511538168 /nfs/dbraw/zinc/53/81/68/511538168.db2.gz MSAQZJOLLWBOJZ-UHFFFAOYSA-N 1 2 373.394 2.593 20 5 FFBDLO CC(C)[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1[nH]cc[nH+]1 ZINC000296112910 511624326 /nfs/dbraw/zinc/62/43/26/511624326.db2.gz RKNCILSEAQHLCP-GFCCVEGCSA-N 1 2 358.807 2.647 20 5 FFBDLO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280847543 511626955 /nfs/dbraw/zinc/62/69/55/511626955.db2.gz AAONBYFJEAIYBR-BBRMVZONSA-N 1 2 355.394 2.551 20 5 FFBDLO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280847543 511626959 /nfs/dbraw/zinc/62/69/59/511626959.db2.gz AAONBYFJEAIYBR-BBRMVZONSA-N 1 2 355.394 2.551 20 5 FFBDLO COc1c(C)c[nH+]c(CN(C)C(=O)COc2ccc([N+](=O)[O-])cc2)c1C ZINC000299415306 511627088 /nfs/dbraw/zinc/62/70/88/511627088.db2.gz CXSPPEBQMXHHGS-UHFFFAOYSA-N 1 2 359.382 2.653 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccccc1F ZINC000363605949 511654058 /nfs/dbraw/zinc/65/40/58/511654058.db2.gz UXMOKGOKMKDYFB-INIZCTEOSA-N 1 2 369.356 2.569 20 5 FFBDLO CCc1cc(NC[C@H](CO)[C@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000281007300 511686117 /nfs/dbraw/zinc/68/61/17/511686117.db2.gz OMQMAJJCCMIOOX-LSDHHAIUSA-N 1 2 372.425 2.671 20 5 FFBDLO O=C(C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1Cl 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Cc1ccc([C@H](C)NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000378263152 512664727 /nfs/dbraw/zinc/66/47/27/512664727.db2.gz HIDAHJZHBXKWIO-ZFWWWQNUSA-N 1 2 357.414 2.897 20 5 FFBDLO Cc1ccccc1-n1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)nn1 ZINC000368036414 512774064 /nfs/dbraw/zinc/77/40/64/512774064.db2.gz IYWCMASZJKYBSD-UHFFFAOYSA-N 1 2 367.413 2.518 20 5 FFBDLO COc1cc(C[N@@H+]2CCCO[C@@H](CF)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000411849701 512844333 /nfs/dbraw/zinc/84/43/33/512844333.db2.gz DYKCLUFDFJZFLY-NSHDSACASA-N 1 2 364.320 2.765 20 5 FFBDLO COc1cc(C[N@H+]2CCCO[C@@H](CF)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000411849701 512844338 /nfs/dbraw/zinc/84/43/38/512844338.db2.gz DYKCLUFDFJZFLY-NSHDSACASA-N 1 2 364.320 2.765 20 5 FFBDLO Cc1cn2c([nH+]1)CN([C@H](C)c1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000374709161 512966150 /nfs/dbraw/zinc/96/61/50/512966150.db2.gz GJNGVGJMGVROBA-GFCCVEGCSA-N 1 2 354.370 2.727 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000374866563 513046008 /nfs/dbraw/zinc/04/60/08/513046008.db2.gz WBOMJALANGWZCB-BFUOFWGJSA-N 1 2 373.384 2.654 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000374866563 513046012 /nfs/dbraw/zinc/04/60/12/513046012.db2.gz WBOMJALANGWZCB-BFUOFWGJSA-N 1 2 373.384 2.654 20 5 FFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000374878749 513051800 /nfs/dbraw/zinc/05/18/00/513051800.db2.gz PYYXFTMHUHPKJZ-MRXNPFEDSA-N 1 2 360.801 2.738 20 5 FFBDLO COc1cc(C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)c([N+](=O)[O-])cc1F ZINC000376949419 513063852 /nfs/dbraw/zinc/06/38/52/513063852.db2.gz OPCZSPSCCZDKNL-CQSZACIVSA-N 1 2 365.405 2.719 20 5 FFBDLO COc1cc(C[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)c([N+](=O)[O-])cc1F ZINC000376949419 513063858 /nfs/dbraw/zinc/06/38/58/513063858.db2.gz OPCZSPSCCZDKNL-CQSZACIVSA-N 1 2 365.405 2.719 20 5 FFBDLO CC(C)c1n[nH]c(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC000433764738 513146233 /nfs/dbraw/zinc/14/62/33/513146233.db2.gz ZUHYVTJNSWMPTB-UHFFFAOYSA-N 1 2 354.370 2.557 20 5 FFBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cn(CC4CC4)nn3)CC2)cc1 ZINC000450461447 513205609 /nfs/dbraw/zinc/20/56/09/513205609.db2.gz VNTQEZNUCOGQJG-UHFFFAOYSA-N 1 2 357.414 2.640 20 5 FFBDLO C[C@@H]1C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)Cc2ccccc2O1 ZINC000429171316 513296909 /nfs/dbraw/zinc/29/69/09/513296909.db2.gz NECUSKRWIYEJMV-RDTXWAMCSA-N 1 2 367.405 2.983 20 5 FFBDLO C[C@@H]1C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)Cc2ccccc2O1 ZINC000429171316 513296915 /nfs/dbraw/zinc/29/69/15/513296915.db2.gz NECUSKRWIYEJMV-RDTXWAMCSA-N 1 2 367.405 2.983 20 5 FFBDLO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000429261824 513320259 /nfs/dbraw/zinc/32/02/59/513320259.db2.gz GVKKHBLIIRDWJM-AWEZNQCLSA-N 1 2 372.400 2.883 20 5 FFBDLO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000429261824 513320264 /nfs/dbraw/zinc/32/02/64/513320264.db2.gz GVKKHBLIIRDWJM-AWEZNQCLSA-N 1 2 372.400 2.883 20 5 FFBDLO CC1(C)CCC[C@](O)(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450998134 513448092 /nfs/dbraw/zinc/44/80/92/513448092.db2.gz JWNFYGCRQSMIQL-LJQANCHMSA-N 1 2 372.425 2.842 20 5 FFBDLO CC[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H](CC)O1 ZINC000421954794 513491837 /nfs/dbraw/zinc/49/18/37/513491837.db2.gz ORDLULWRXMAXMC-HUUCEWRRSA-N 1 2 358.398 2.810 20 5 FFBDLO COCCOC1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425412888 513551904 /nfs/dbraw/zinc/55/19/04/513551904.db2.gz ZTUAPDAMDUTWLH-UHFFFAOYSA-N 1 2 373.247 2.985 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@H](CO)c1ccccc1 ZINC000447800703 513573930 /nfs/dbraw/zinc/57/39/30/513573930.db2.gz WHQUVKKCIZSITI-GOSISDBHSA-N 1 2 371.437 2.615 20 5 FFBDLO CC(C)[C@H](O)C(C)(C)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447804402 513575198 /nfs/dbraw/zinc/57/51/98/513575198.db2.gz FMVUWEZNIWUZFH-SFHVURJKSA-N 1 2 365.474 2.882 20 5 FFBDLO C[C@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCS1 ZINC000447804566 513575384 /nfs/dbraw/zinc/57/53/84/513575384.db2.gz GAEXMKQBEBXJCG-AWEZNQCLSA-N 1 2 351.472 2.759 20 5 FFBDLO CO[C@H]1C[C@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C12CCC2 ZINC000413431597 513654139 /nfs/dbraw/zinc/65/41/39/513654139.db2.gz AMYPPEWBZFRBQH-ROUUACIJSA-N 1 2 361.442 2.797 20 5 FFBDLO CCc1cc(N[C@@H]2CCC[C@H](CO)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413620113 513738438 /nfs/dbraw/zinc/73/84/38/513738438.db2.gz XCUHZUSWHROQOC-XJKSGUPXSA-N 1 2 356.426 2.999 20 5 FFBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000451548779 513825198 /nfs/dbraw/zinc/82/51/98/513825198.db2.gz OKKWWSPPTZOHCL-CQSZACIVSA-N 1 2 352.416 2.556 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@@H]1[C@@H]1CCCO1 ZINC000451551026 513828590 /nfs/dbraw/zinc/82/85/90/513828590.db2.gz VVSCGDIXCFBDBL-WBVHZDCISA-N 1 2 356.382 2.564 20 5 FFBDLO CCOC(=O)[C@@H](C)CNc1cc(CC)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000426416868 513934585 /nfs/dbraw/zinc/93/45/85/513934585.db2.gz MQFYQOSYKXXZRQ-LBPRGKRZSA-N 1 2 358.398 2.647 20 5 FFBDLO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000436883653 514019994 /nfs/dbraw/zinc/01/99/94/514019994.db2.gz HDJAGZUJGJLMJY-UHFFFAOYSA-N 1 2 355.394 2.826 20 5 FFBDLO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C[N@@H+]1Cc1ccccc1 ZINC000436888758 514021884 /nfs/dbraw/zinc/02/18/84/514021884.db2.gz UBBPYDPWEDQYKG-DZGCQCFKSA-N 1 2 355.394 2.693 20 5 FFBDLO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C[N@H+]1Cc1ccccc1 ZINC000436888758 514021893 /nfs/dbraw/zinc/02/18/93/514021893.db2.gz UBBPYDPWEDQYKG-DZGCQCFKSA-N 1 2 355.394 2.693 20 5 FFBDLO CC(C)Oc1cc(-c2nc([C@@H]3C[N@@H+](C4CC4)CCO3)no2)ccc1[N+](=O)[O-] ZINC000420502483 514175157 /nfs/dbraw/zinc/17/51/57/514175157.db2.gz JXAFXBGTSZXRHO-INIZCTEOSA-N 1 2 374.397 2.968 20 5 FFBDLO CC(C)Oc1cc(-c2nc([C@@H]3C[N@H+](C4CC4)CCO3)no2)ccc1[N+](=O)[O-] ZINC000420502483 514175162 /nfs/dbraw/zinc/17/51/62/514175162.db2.gz JXAFXBGTSZXRHO-INIZCTEOSA-N 1 2 374.397 2.968 20 5 FFBDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000444545886 514254088 /nfs/dbraw/zinc/25/40/88/514254088.db2.gz LHTUQTAJGPRPSE-UHFFFAOYSA-N 1 2 352.354 2.770 20 5 FFBDLO COC(=O)c1n[nH]c2c1C[N@H+](CC(C)=Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000449565562 514255485 /nfs/dbraw/zinc/25/54/85/514255485.db2.gz KCJZXFQKNGBDFC-WQLSENKSSA-N 1 2 356.382 2.566 20 5 FFBDLO COC(=O)c1n[nH]c2c1C[N@@H+](CC(C)=Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000449565562 514255489 /nfs/dbraw/zinc/25/54/89/514255489.db2.gz KCJZXFQKNGBDFC-WQLSENKSSA-N 1 2 356.382 2.566 20 5 FFBDLO CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444608577 514272462 /nfs/dbraw/zinc/27/24/62/514272462.db2.gz LLGIXLVNGZFHMB-ZDUSSCGKSA-N 1 2 373.457 2.844 20 5 FFBDLO CCN(CC)C(=O)C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444626340 514277038 /nfs/dbraw/zinc/27/70/38/514277038.db2.gz SQJDYRPSSBNCBG-UHFFFAOYSA-N 1 2 359.430 2.552 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000452455257 514365085 /nfs/dbraw/zinc/36/50/85/514365085.db2.gz XISUSWPNUKILCD-MRXNPFEDSA-N 1 2 357.414 2.740 20 5 FFBDLO O=C(NCCC[C@H]1CCCC[C@@H]1O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000433262623 514437421 /nfs/dbraw/zinc/43/74/21/514437421.db2.gz QSKISICZYHPJSU-KDOFPFPSSA-N 1 2 372.425 2.842 20 5 FFBDLO CC(C)(C)c1cnc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)o1 ZINC000450022059 514469474 /nfs/dbraw/zinc/46/94/74/514469474.db2.gz XSKKMXJQZPJSLP-UHFFFAOYSA-N 1 2 369.381 2.996 20 5 FFBDLO CCOC[C@@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000458084447 514561636 /nfs/dbraw/zinc/56/16/36/514561636.db2.gz VCIHVVRTZQUQOP-HNNXBMFYSA-N 1 2 358.398 2.812 20 5 FFBDLO CC(C)[C@@H](CO)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)C ZINC000452957592 514574503 /nfs/dbraw/zinc/57/45/03/514574503.db2.gz JGKXWJHFJQPNKW-CRAIPNDOSA-N 1 2 374.441 2.799 20 5 FFBDLO Cc1cc(NC[C@@]2([NH+]3CCOCC3)CCSC2)c(F)cc1[N+](=O)[O-] ZINC000461781110 514733630 /nfs/dbraw/zinc/73/36/30/514733630.db2.gz VTSRMVKLUYTIPP-INIZCTEOSA-N 1 2 355.435 2.662 20 5 FFBDLO Nc1c(F)c(N[C@H](C[NH+]2CCOCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000471255404 514813865 /nfs/dbraw/zinc/81/38/65/514813865.db2.gz UMQQFCRGNVDJGA-OAHLLOKOSA-N 1 2 360.389 2.802 20 5 FFBDLO CSCc1cnc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000508681999 514862768 /nfs/dbraw/zinc/86/27/68/514862768.db2.gz VJUJRQIBGUBTGW-LLVKDONJSA-N 1 2 365.484 2.996 20 5 FFBDLO CSCc1cnc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000508681999 514862777 /nfs/dbraw/zinc/86/27/77/514862777.db2.gz VJUJRQIBGUBTGW-LLVKDONJSA-N 1 2 365.484 2.996 20 5 FFBDLO COc1cc[nH+]cc1NC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000498413539 514901933 /nfs/dbraw/zinc/90/19/33/514901933.db2.gz FAAJJNFIFTYUJR-UHFFFAOYSA-N 1 2 363.395 2.879 20 5 FFBDLO CN(C)c1ccc(CNc2ncc([N+](=O)[O-])cc2Br)c[nH+]1 ZINC000485184560 514947941 /nfs/dbraw/zinc/94/79/41/514947941.db2.gz PCDLYDNNDLZNSI-UHFFFAOYSA-N 1 2 352.192 2.825 20 5 FFBDLO COC(=O)C[C@@](C)([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccccn1 ZINC000509141248 515042902 /nfs/dbraw/zinc/04/29/02/515042902.db2.gz UJJQGPZVASHTPP-GOSISDBHSA-N 1 2 359.382 2.567 20 5 FFBDLO C[C@H]1C[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c2[nH+]ccn21 ZINC000456393201 515152118 /nfs/dbraw/zinc/15/21/18/515152118.db2.gz RLFGOKMONZQASJ-ZFWWWQNUSA-N 1 2 369.425 2.830 20 5 FFBDLO C[C@@H]1C[C@H](NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)c2[nH+]ccn21 ZINC000456400142 515160224 /nfs/dbraw/zinc/16/02/24/515160224.db2.gz DGDAGWBMMRLBFN-YPMHNXCESA-N 1 2 367.365 2.541 20 5 FFBDLO CCOc1cc(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)c([N+](=O)[O-])cc1OC ZINC000456406847 515163142 /nfs/dbraw/zinc/16/31/42/515163142.db2.gz YIDFZESNBPKHBF-ZYHUDNBSSA-N 1 2 360.370 2.634 20 5 FFBDLO CCc1ccc([C@@H]([NH2+][C@@H](C)C(=O)NCCF)c2ccc([N+](=O)[O-])cc2)o1 ZINC000503906507 515165143 /nfs/dbraw/zinc/16/51/43/515165143.db2.gz ZUZDSHCSSYWIDO-SJCJKPOMSA-N 1 2 363.389 2.903 20 5 FFBDLO Cc1cc(OCC(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)ccc1[N+](=O)[O-] ZINC000505484664 515550970 /nfs/dbraw/zinc/55/09/70/515550970.db2.gz UDUMDFLSPHFLIR-KRWDZBQOSA-N 1 2 373.384 2.594 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000469504814 515843664 /nfs/dbraw/zinc/84/36/64/515843664.db2.gz KOQJEIXGZIEFOG-AWEZNQCLSA-N 1 2 358.354 2.684 20 5 FFBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cc3cccc([N+](=O)[O-])c3[nH]1)CCC2 ZINC000501032704 515944956 /nfs/dbraw/zinc/94/49/56/515944956.db2.gz BCHLZWDHIDARFQ-ZDUSSCGKSA-N 1 2 353.382 2.888 20 5 FFBDLO COc1cc(C[N@H+](C)C[C@H]2COc3ccccc3O2)c([N+](=O)[O-])cc1OC ZINC000506776671 515983584 /nfs/dbraw/zinc/98/35/84/515983584.db2.gz MVDNNLIBQUHGKL-AWEZNQCLSA-N 1 2 374.393 2.884 20 5 FFBDLO COc1cc(C[N@@H+](C)C[C@H]2COc3ccccc3O2)c([N+](=O)[O-])cc1OC ZINC000506776671 515983591 /nfs/dbraw/zinc/98/35/91/515983591.db2.gz MVDNNLIBQUHGKL-AWEZNQCLSA-N 1 2 374.393 2.884 20 5 FFBDLO CCc1cc(N2CC[C@H](C(=O)OC)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000506991426 516045953 /nfs/dbraw/zinc/04/59/53/516045953.db2.gz DKXGWJQCNHYRGQ-ZDUSSCGKSA-N 1 2 356.382 2.614 20 5 FFBDLO Cc1ccc(OC[C@H](O)C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c(C)c1 ZINC000470033826 516087680 /nfs/dbraw/zinc/08/76/80/516087680.db2.gz AOZSSMZUZQFLSZ-QGZVFWFLSA-N 1 2 372.421 2.715 20 5 FFBDLO Cc1[nH]c2ccc(Cn3cc([N+](=O)[O-])cc(Br)c3=O)cc2[nH+]1 ZINC000460433362 516150854 /nfs/dbraw/zinc/15/08/54/516150854.db2.gz DIHRDYVMUVICDV-UHFFFAOYSA-N 1 2 363.171 2.752 20 5 FFBDLO Cc1[nH]c2cc(Cn3cc([N+](=O)[O-])cc(Br)c3=O)ccc2[nH+]1 ZINC000460433362 516150861 /nfs/dbraw/zinc/15/08/61/516150861.db2.gz DIHRDYVMUVICDV-UHFFFAOYSA-N 1 2 363.171 2.752 20 5 FFBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000501960300 516275361 /nfs/dbraw/zinc/27/53/61/516275361.db2.gz IWNPFMMBAGSMIA-UHFFFAOYSA-N 1 2 369.421 2.952 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000512439115 516280091 /nfs/dbraw/zinc/28/00/91/516280091.db2.gz NTIMEZYYMDBPQC-YJBOKZPZSA-N 1 2 363.458 2.677 20 5 FFBDLO O=C(CC[S@](=O)Cc1cn2ccccc2[nH+]1)Nc1ccccc1[N+](=O)[O-] ZINC000507683928 516282593 /nfs/dbraw/zinc/28/25/93/516282593.db2.gz OQQSRAVINTZYPQ-SANMLTNESA-N 1 2 372.406 2.520 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000543929286 516501073 /nfs/dbraw/zinc/50/10/73/516501073.db2.gz YYKPLXZDFXJBHY-CYBMUJFWSA-N 1 2 355.394 2.989 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000543929286 516501081 /nfs/dbraw/zinc/50/10/81/516501081.db2.gz YYKPLXZDFXJBHY-CYBMUJFWSA-N 1 2 355.394 2.989 20 5 FFBDLO Cc1c(CC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cccc1[N+](=O)[O-] ZINC000561384550 516556503 /nfs/dbraw/zinc/55/65/03/516556503.db2.gz VDRLNVSRHNXTND-UHFFFAOYSA-N 1 2 351.366 2.724 20 5 FFBDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@@H+]2Cc2ccc(Cl)cc2[N+](=O)[O-])O1 ZINC000554848172 516663117 /nfs/dbraw/zinc/66/31/17/516663117.db2.gz IVYFSFLNZSEUCR-UGGSBELWSA-N 1 2 368.817 2.932 20 5 FFBDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@H+]2Cc2ccc(Cl)cc2[N+](=O)[O-])O1 ZINC000554848172 516663129 /nfs/dbraw/zinc/66/31/29/516663129.db2.gz IVYFSFLNZSEUCR-UGGSBELWSA-N 1 2 368.817 2.932 20 5 FFBDLO CC(C)(C)C1=CC[N@@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000536187460 516668270 /nfs/dbraw/zinc/66/82/70/516668270.db2.gz SZOIJADSGJBWHU-INIZCTEOSA-N 1 2 357.410 2.905 20 5 FFBDLO CC(C)(C)C1=CC[N@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000536187460 516668276 /nfs/dbraw/zinc/66/82/76/516668276.db2.gz SZOIJADSGJBWHU-INIZCTEOSA-N 1 2 357.410 2.905 20 5 FFBDLO O=C(NCC1CC[NH+](CC(F)F)CC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000554873108 516674319 /nfs/dbraw/zinc/67/43/19/516674319.db2.gz RMZHAYCZSSZIOO-UHFFFAOYSA-N 1 2 361.776 2.955 20 5 FFBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1[nH+]ccn1CC(F)(F)F ZINC000551409838 516698759 /nfs/dbraw/zinc/69/87/59/516698759.db2.gz UFSDYTINNJKBBE-UHFFFAOYSA-N 1 2 374.344 2.762 20 5 FFBDLO O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000531919986 516716405 /nfs/dbraw/zinc/71/64/05/516716405.db2.gz XKHZOKVKOANYPX-HOTGVXAUSA-N 1 2 367.833 2.621 20 5 FFBDLO COc1ccc2c(c1)CC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])CC2 ZINC000536344905 516728048 /nfs/dbraw/zinc/72/80/48/516728048.db2.gz BXAILSZANPMHHO-UHFFFAOYSA-N 1 2 369.421 2.951 20 5 FFBDLO COc1ccc2c(c1)CC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])CC2 ZINC000536344905 516728056 /nfs/dbraw/zinc/72/80/56/516728056.db2.gz BXAILSZANPMHHO-UHFFFAOYSA-N 1 2 369.421 2.951 20 5 FFBDLO Cc1ccc2[nH+]c(CNS(=O)(=O)c3c(C)cc([N+](=O)[O-])cc3C)cn2c1 ZINC000562225623 516966961 /nfs/dbraw/zinc/96/69/61/516966961.db2.gz MVMMDYQQKLVYPR-UHFFFAOYSA-N 1 2 374.422 2.646 20 5 FFBDLO O=[N+]([O-])c1cccc(OCc2nc(Cc3cn4ccccc4[nH+]3)no2)c1 ZINC000545016248 517023373 /nfs/dbraw/zinc/02/33/73/517023373.db2.gz GBVJZWVZKOTYAS-UHFFFAOYSA-N 1 2 351.322 2.795 20 5 FFBDLO CC(C)[C@@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCCO1 ZINC000559001886 517037651 /nfs/dbraw/zinc/03/76/51/517037651.db2.gz QSLKYUMCOZIIBF-IBGZPJMESA-N 1 2 363.458 2.678 20 5 FFBDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000555853440 517154528 /nfs/dbraw/zinc/15/45/28/517154528.db2.gz NNGDSOILONNXNP-UHFFFAOYSA-N 1 2 353.176 2.627 20 5 FFBDLO Cc1cc(Br)cn2cc(CNc3c([N+](=O)[O-])ncn3C)[nH+]c12 ZINC000545347191 517190680 /nfs/dbraw/zinc/19/06/80/517190680.db2.gz UYTBUQIFFAAKEH-UHFFFAOYSA-N 1 2 365.191 2.659 20 5 FFBDLO Cc1cc[nH+]cc1N1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000545352570 517193743 /nfs/dbraw/zinc/19/37/43/517193743.db2.gz CPSDAACRSOKTKV-UHFFFAOYSA-N 1 2 369.425 2.638 20 5 FFBDLO CCOc1ccc(NC(=O)C[NH+]2CCC(OC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000533016934 517253401 /nfs/dbraw/zinc/25/34/01/517253401.db2.gz ZBGSPOATVOLSQH-UHFFFAOYSA-N 1 2 365.430 2.821 20 5 FFBDLO CC(C)c1ccc(C[NH+]2CCN(c3ncc(F)cn3)CC2)cc1[N+](=O)[O-] ZINC000546266804 517620304 /nfs/dbraw/zinc/62/03/04/517620304.db2.gz MVIMHKQUVJSPKV-UHFFFAOYSA-N 1 2 359.405 2.970 20 5 FFBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549708888 517666533 /nfs/dbraw/zinc/66/65/33/517666533.db2.gz GKYNFAORANJAMT-WFASDCNBSA-N 1 2 373.375 2.909 20 5 FFBDLO CC(C)n1ccc(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])n1 ZINC000516447928 517694745 /nfs/dbraw/zinc/69/47/45/517694745.db2.gz JLTINNPAGDHTPX-UHFFFAOYSA-N 1 2 359.430 2.817 20 5 FFBDLO COc1cc(Cc2noc(Cc3cn4ccccc4[nH+]3)n2)ccc1[N+](=O)[O-] ZINC000546492409 517699602 /nfs/dbraw/zinc/69/96/02/517699602.db2.gz GUCJHCXSCUFGLM-UHFFFAOYSA-N 1 2 365.349 2.816 20 5 FFBDLO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000534261766 517811903 /nfs/dbraw/zinc/81/19/03/517811903.db2.gz OQDMLZSOCOPNAH-ZDUSSCGKSA-N 1 2 363.805 2.538 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]C[C@@H](O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000560528901 517873752 /nfs/dbraw/zinc/87/37/52/517873752.db2.gz RUUHXWRGGFUDKH-MSOLQXFVSA-N 1 2 358.442 2.949 20 5 FFBDLO O=C(NCc1nc2ccccc2o1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000560632548 517944418 /nfs/dbraw/zinc/94/44/18/517944418.db2.gz XXQQEKSKKLZDFZ-UHFFFAOYSA-N 1 2 363.333 2.852 20 5 FFBDLO CNC(=O)c1ccc(NCc2cccc(-c3[nH]cc[nH+]3)c2)c([N+](=O)[O-])c1 ZINC000539295754 517981324 /nfs/dbraw/zinc/98/13/24/517981324.db2.gz WVZIWXQEPHTYFP-UHFFFAOYSA-N 1 2 351.366 2.957 20 5 FFBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC(n2cc[nH+]c2)C1 ZINC000543279914 518002057 /nfs/dbraw/zinc/00/20/57/518002057.db2.gz XLFIJFDROOZUJK-UHFFFAOYSA-N 1 2 352.803 2.620 20 5 FFBDLO Cn1c[nH+]cc1Cc1noc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 ZINC000547259269 518040096 /nfs/dbraw/zinc/04/00/96/518040096.db2.gz AAXGSHWCMLYAJW-UHFFFAOYSA-N 1 2 354.370 2.569 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000534845488 518056233 /nfs/dbraw/zinc/05/62/33/518056233.db2.gz FBRDQWRJNKITAG-GRYCIOLGSA-N 1 2 355.822 2.668 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000534845488 518056243 /nfs/dbraw/zinc/05/62/43/518056243.db2.gz FBRDQWRJNKITAG-GRYCIOLGSA-N 1 2 355.822 2.668 20 5 FFBDLO Cc1cc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c[nH+]1 ZINC000535035908 518131051 /nfs/dbraw/zinc/13/10/51/518131051.db2.gz GITBYRAQFCKWDC-UHFFFAOYSA-N 1 2 351.366 2.681 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)CN(c1cc(N3CCCCC3)[nH+]cn1)CCO2 ZINC000572471090 518209374 /nfs/dbraw/zinc/20/93/74/518209374.db2.gz DKPSPXBVIVXEQP-UHFFFAOYSA-N 1 2 355.398 2.774 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)CN(c1cc(N3CCCCC3)nc[nH+]1)CCO2 ZINC000572471090 518209377 /nfs/dbraw/zinc/20/93/77/518209377.db2.gz DKPSPXBVIVXEQP-UHFFFAOYSA-N 1 2 355.398 2.774 20 5 FFBDLO O=C(Nc1ccn2cc[nH+]c2c1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000573370985 518633835 /nfs/dbraw/zinc/63/38/35/518633835.db2.gz MSMPXZFCWOCTRJ-UHFFFAOYSA-N 1 2 353.338 2.538 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000573383898 518638407 /nfs/dbraw/zinc/63/84/07/518638407.db2.gz JUMXYXGEZJQOQY-GFCCVEGCSA-N 1 2 368.315 2.954 20 5 FFBDLO O=C(NC[C@@H]1COc2ccccc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000589121905 518922126 /nfs/dbraw/zinc/92/21/26/518922126.db2.gz OBCASZJNLAFNPT-CQSZACIVSA-N 1 2 364.361 2.687 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCN(c3cccs3)CC2)c1 ZINC000589503088 519020061 /nfs/dbraw/zinc/02/00/61/519020061.db2.gz NFWUJAHENKZLQA-UHFFFAOYSA-N 1 2 361.423 2.765 20 5 FFBDLO Cc1cc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])c[nH+]c1N1CCCC[C@@H]1C ZINC000565607247 519041017 /nfs/dbraw/zinc/04/10/17/519041017.db2.gz GHWVYVCPIIOEKU-LBPRGKRZSA-N 1 2 370.413 2.737 20 5 FFBDLO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000566271844 519404611 /nfs/dbraw/zinc/40/46/11/519404611.db2.gz ZHUINJZXUZZWFF-YOEHRIQHSA-N 1 2 369.421 2.941 20 5 FFBDLO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000566271844 519404619 /nfs/dbraw/zinc/40/46/19/519404619.db2.gz ZHUINJZXUZZWFF-YOEHRIQHSA-N 1 2 369.421 2.941 20 5 FFBDLO C[C@@H](Nc1ncc([N+](=O)[O-])cc1F)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000591147520 519529213 /nfs/dbraw/zinc/52/92/13/519529213.db2.gz SXTVCXAMPMUEES-CXAGYDPISA-N 1 2 360.389 2.830 20 5 FFBDLO C[C@@H](Nc1ncc([N+](=O)[O-])cc1F)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000591147520 519529223 /nfs/dbraw/zinc/52/92/23/519529223.db2.gz SXTVCXAMPMUEES-CXAGYDPISA-N 1 2 360.389 2.830 20 5 FFBDLO Cc1c[nH]c(C(C)(C)NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)[nH+]1 ZINC000578369445 519557551 /nfs/dbraw/zinc/55/75/51/519557551.db2.gz KPLLNCWATGOOLS-UHFFFAOYSA-N 1 2 369.381 2.605 20 5 FFBDLO CCOc1ccc([C@H](C)[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)cc1[N+](=O)[O-] ZINC000594507549 520006995 /nfs/dbraw/zinc/00/69/95/520006995.db2.gz GYGOFISOPBSUBR-NHYWBVRUSA-N 1 2 361.402 2.814 20 5 FFBDLO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1)C1CC1 ZINC000594513913 520010457 /nfs/dbraw/zinc/01/04/57/520010457.db2.gz UUKNJLORFHAFNU-ZBFHGGJFSA-N 1 2 357.414 2.675 20 5 FFBDLO COC(=O)Cc1ccc(NCCc2cn3c(cccc3C)[nH+]2)c([N+](=O)[O-])c1 ZINC000592007021 520131283 /nfs/dbraw/zinc/13/12/83/520131283.db2.gz WOXWRMVOFHJJCN-UHFFFAOYSA-N 1 2 368.393 2.921 20 5 FFBDLO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1nnc2n1CCCCC2 ZINC000609005934 520177462 /nfs/dbraw/zinc/17/74/62/520177462.db2.gz HZSFCBLILXSEPV-GFCCVEGCSA-N 1 2 373.413 2.630 20 5 FFBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000609029538 520179722 /nfs/dbraw/zinc/17/97/22/520179722.db2.gz WIGHNTXLHBIHHW-LBPRGKRZSA-N 1 2 359.407 2.760 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000609133318 520200760 /nfs/dbraw/zinc/20/07/60/520200760.db2.gz LBCRGWUWKWJUQU-UHFFFAOYSA-N 1 2 355.394 2.648 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCc2ccc(O)cc2CC1 ZINC000609133318 520200768 /nfs/dbraw/zinc/20/07/68/520200768.db2.gz LBCRGWUWKWJUQU-UHFFFAOYSA-N 1 2 355.394 2.648 20 5 FFBDLO CC1(C)CCC[C@](CO)(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000600362238 520222705 /nfs/dbraw/zinc/22/27/05/520222705.db2.gz LUECCWUYOPXXMH-IBGZPJMESA-N 1 2 372.425 2.842 20 5 FFBDLO COc1cc(C[NH2+]Cc2cnc(C(F)(F)F)nc2)c([N+](=O)[O-])cc1OC ZINC000594950068 520226964 /nfs/dbraw/zinc/22/69/64/520226964.db2.gz HKLPNMYFEPRBFQ-UHFFFAOYSA-N 1 2 372.303 2.711 20 5 FFBDLO C[C@H]1C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC2(CCCC2)O1 ZINC000592192671 520256839 /nfs/dbraw/zinc/25/68/39/520256839.db2.gz JGXCRHUBFCLDTG-YOEHRIQHSA-N 1 2 359.426 2.734 20 5 FFBDLO C[C@H]1C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC2(CCCC2)O1 ZINC000592192671 520256847 /nfs/dbraw/zinc/25/68/47/520256847.db2.gz JGXCRHUBFCLDTG-YOEHRIQHSA-N 1 2 359.426 2.734 20 5 FFBDLO CNc1c(C(=O)NCc2ccc[nH+]c2N2CCCC2)cccc1[N+](=O)[O-] ZINC000597942369 520341116 /nfs/dbraw/zinc/34/11/16/520341116.db2.gz WJIUDRHTOYPMQO-UHFFFAOYSA-N 1 2 355.398 2.562 20 5 FFBDLO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000603682764 520342429 /nfs/dbraw/zinc/34/24/29/520342429.db2.gz VDSWHUAIQDGSPO-BBWFWOEESA-N 1 2 374.485 2.610 20 5 FFBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000609528332 520343566 /nfs/dbraw/zinc/34/35/66/520343566.db2.gz XLPZPBXXTMUSLY-INIZCTEOSA-N 1 2 373.409 2.668 20 5 FFBDLO C[C@@H](c1nc(C2CC2)no1)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000604483403 520575234 /nfs/dbraw/zinc/57/52/34/520575234.db2.gz HSHBTBSXEJJUBL-ZDUSSCGKSA-N 1 2 357.414 2.734 20 5 FFBDLO O=[N+]([O-])c1cc2c(cc1CNC[C@H](c1ccco1)[NH+]1CCCC1)OCCO2 ZINC000604532192 520592143 /nfs/dbraw/zinc/59/21/43/520592143.db2.gz IAVUJFDJTPBZAP-MRXNPFEDSA-N 1 2 373.409 2.886 20 5 FFBDLO CO[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CCCC1 ZINC000598394624 520593850 /nfs/dbraw/zinc/59/38/50/520593850.db2.gz TWAOCNHQIFLPKT-KRWDZBQOSA-N 1 2 358.398 2.716 20 5 FFBDLO Cc1cc(C)c(Cn2cc(Br)c(=O)c([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000601080420 520627453 /nfs/dbraw/zinc/62/74/53/520627453.db2.gz NGUXNVITLORTCK-UHFFFAOYSA-N 1 2 352.188 2.888 20 5 FFBDLO 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ZINC000878813402 732598094 /nfs/dbraw/zinc/59/80/94/732598094.db2.gz XBDGZFZNMLAQDW-AOOOYVTPSA-N 1 2 356.716 2.995 20 5 FFBDLO O=[N+]([O-])c1cc(Br)ccc1C[NH+]1CCC2(CC1)COCCO2 ZINC000880548347 732923047 /nfs/dbraw/zinc/92/30/47/732923047.db2.gz QDTPONZNEKTCKW-UHFFFAOYSA-N 1 2 371.231 2.739 20 5 FFBDLO CC1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC(F)(F)C1 ZINC000881527861 733065381 /nfs/dbraw/zinc/06/53/81/733065381.db2.gz UANNSPWMZYRRPL-UHFFFAOYSA-N 1 2 350.325 2.946 20 5 FFBDLO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885979388 733737244 /nfs/dbraw/zinc/73/72/44/733737244.db2.gz BTQFRVYZLZDNTQ-CQSZACIVSA-N 1 2 350.419 2.821 20 5 FFBDLO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885979388 733737247 /nfs/dbraw/zinc/73/72/47/733737247.db2.gz BTQFRVYZLZDNTQ-CQSZACIVSA-N 1 2 350.419 2.821 20 5 FFBDLO COc1cc(C[NH+]2CCC(C(=O)OC(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000886729011 733822504 /nfs/dbraw/zinc/82/25/04/733822504.db2.gz XDKXNBBBZZNLAR-UHFFFAOYSA-N 1 2 354.378 2.906 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927767455 738780386 /nfs/dbraw/zinc/78/03/86/738780386.db2.gz ATJMRPOTGFIHIG-UHFFFAOYSA-N 1 2 362.455 2.968 20 5 FFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCC(CCO)CC1 ZINC000730261401 734623559 /nfs/dbraw/zinc/62/35/59/734623559.db2.gz ZFMPCBFRIXOXOH-NSHDSACASA-N 1 2 355.822 2.670 20 5 FFBDLO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3cncs3)CC2)c2ccccc21 ZINC000894856508 734928103 /nfs/dbraw/zinc/92/81/03/734928103.db2.gz URYFEZBDDFWQQC-UHFFFAOYSA-N 1 2 355.423 2.922 20 5 FFBDLO C[N@@H+](CC(=O)Nc1ccccc1Cl)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750037032 735767842 /nfs/dbraw/zinc/76/78/42/735767842.db2.gz OFDUCPBEBFZTBD-MRXNPFEDSA-N 1 2 363.801 2.852 20 5 FFBDLO C[N@H+](CC(=O)Nc1ccccc1Cl)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750037032 735767845 /nfs/dbraw/zinc/76/78/45/735767845.db2.gz OFDUCPBEBFZTBD-MRXNPFEDSA-N 1 2 363.801 2.852 20 5 FFBDLO C[N@H+](CCc1cnccn1)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000761213687 736708426 /nfs/dbraw/zinc/70/84/26/736708426.db2.gz JMQZKZDPQMVMON-UHFFFAOYSA-N 1 2 351.204 2.822 20 5 FFBDLO C[N@@H+](CCc1cnccn1)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000761213687 736708430 /nfs/dbraw/zinc/70/84/30/736708430.db2.gz JMQZKZDPQMVMON-UHFFFAOYSA-N 1 2 351.204 2.822 20 5 FFBDLO C[N@@H+](Cc1nccn1CC(F)(F)F)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582035 738210820 /nfs/dbraw/zinc/21/08/20/738210820.db2.gz OSBXBNVZNRQOPD-ZDUSSCGKSA-N 1 2 358.320 2.519 20 5 FFBDLO C[N@H+](Cc1nccn1CC(F)(F)F)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582035 738210825 /nfs/dbraw/zinc/21/08/25/738210825.db2.gz OSBXBNVZNRQOPD-ZDUSSCGKSA-N 1 2 358.320 2.519 20 5 FFBDLO CC(C)[N@@H+](Cc1c(Br)cccc1[N+](=O)[O-])C[C@@H]1CCC(=O)N1 ZINC000930740394 739156059 /nfs/dbraw/zinc/15/60/59/739156059.db2.gz RDJTXIXSPBDSOD-NSHDSACASA-N 1 2 370.247 2.846 20 5 FFBDLO CC(C)[N@H+](Cc1c(Br)cccc1[N+](=O)[O-])C[C@@H]1CCC(=O)N1 ZINC000930740394 739156062 /nfs/dbraw/zinc/15/60/62/739156062.db2.gz RDJTXIXSPBDSOD-NSHDSACASA-N 1 2 370.247 2.846 20 5 FFBDLO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N(C)Cc1ccc(N)[nH+]c1 ZINC000790277934 739432369 /nfs/dbraw/zinc/43/23/69/739432369.db2.gz XSFGXXPLCAHGNG-UHFFFAOYSA-N 1 2 350.762 2.648 20 5 FFBDLO O=C1CCCN1[C@H]1CC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000792188283 739648765 /nfs/dbraw/zinc/64/87/65/739648765.db2.gz VEDIFAIXHKMBNY-NSHDSACASA-N 1 2 368.231 2.554 20 5 FFBDLO O=C1CCCN1[C@H]1CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000792188283 739648769 /nfs/dbraw/zinc/64/87/69/739648769.db2.gz VEDIFAIXHKMBNY-NSHDSACASA-N 1 2 368.231 2.554 20 5 FFBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCCc1c[nH+]cn1C ZINC000793258777 739759008 /nfs/dbraw/zinc/75/90/08/739759008.db2.gz OZRGTGFACKKYCX-JTQLQIEISA-N 1 2 353.762 2.535 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1COC(=O)N(C)C ZINC000796550272 740152560 /nfs/dbraw/zinc/15/25/60/740152560.db2.gz WCRCELWUHKNKEG-OAHLLOKOSA-N 1 2 351.403 2.656 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H]1COC(=O)N(C)C ZINC000796550272 740152562 /nfs/dbraw/zinc/15/25/62/740152562.db2.gz WCRCELWUHKNKEG-OAHLLOKOSA-N 1 2 351.403 2.656 20 5 FFBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2cc(Cl)ccc2F)CC1 ZINC001005378676 742252827 /nfs/dbraw/zinc/25/28/27/742252827.db2.gz OMZYKQMXZOESRO-GDBMZVCRSA-N 1 2 369.824 2.567 20 5 FFBDLO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000824726991 743136507 /nfs/dbraw/zinc/13/65/07/743136507.db2.gz ZJNVALFNBPXFBQ-GFCCVEGCSA-N 1 2 351.147 2.559 20 5 FFBDLO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000824726991 743136512 /nfs/dbraw/zinc/13/65/12/743136512.db2.gz ZJNVALFNBPXFBQ-GFCCVEGCSA-N 1 2 351.147 2.559 20 5 FFBDLO Cc1ccc(CNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000825640312 743304755 /nfs/dbraw/zinc/30/47/55/743304755.db2.gz COIKJAAMSKKIFX-CYBMUJFWSA-N 1 2 356.304 2.910 20 5 FFBDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000840528132 747116311 /nfs/dbraw/zinc/11/63/11/747116311.db2.gz WVVIHXDFGSSFCD-CYBMUJFWSA-N 1 2 360.267 2.728 20 5 FFBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000841256455 747309433 /nfs/dbraw/zinc/30/94/33/747309433.db2.gz XBGNFHSASRXHRR-HZPDHXFCSA-N 1 2 351.834 2.824 20 5 FFBDLO COCC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H](O)C(F)(F)F ZINC000847021151 748600392 /nfs/dbraw/zinc/60/03/92/748600392.db2.gz DVXKORDKHJPSHT-GFCCVEGCSA-N 1 2 356.728 2.620 20 5 FFBDLO COCC[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H](O)C(F)(F)F ZINC000847021151 748600398 /nfs/dbraw/zinc/60/03/98/748600398.db2.gz DVXKORDKHJPSHT-GFCCVEGCSA-N 1 2 356.728 2.620 20 5 FFBDLO CC(C)Oc1nc(N2CCC([N@H+](C)CC(F)F)CC2)ccc1[N+](=O)[O-] ZINC000848666884 748979887 /nfs/dbraw/zinc/97/98/87/748979887.db2.gz CYBGBGYLXCXJIW-UHFFFAOYSA-N 1 2 358.389 2.943 20 5 FFBDLO CC(C)Oc1nc(N2CCC([N@@H+](C)CC(F)F)CC2)ccc1[N+](=O)[O-] ZINC000848666884 748979893 /nfs/dbraw/zinc/97/98/93/748979893.db2.gz CYBGBGYLXCXJIW-UHFFFAOYSA-N 1 2 358.389 2.943 20 5 FFBDLO Cc1noc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000851847477 749702143 /nfs/dbraw/zinc/70/21/43/749702143.db2.gz FPOXUYVTTMFRTO-JQWIXIFHSA-N 1 2 354.407 2.626 20 5 FFBDLO Cc1noc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000851847477 749702147 /nfs/dbraw/zinc/70/21/47/749702147.db2.gz FPOXUYVTTMFRTO-JQWIXIFHSA-N 1 2 354.407 2.626 20 5 FFBDLO Cc1cn(C(C)(C)C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c[nH+]1 ZINC000896735627 971683588 /nfs/dbraw/zinc/68/35/88/971683588.db2.gz MKLATKIKQGCCEP-UHFFFAOYSA-N 1 2 372.425 2.905 20 5 FFBDLO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCN(c3ccc(F)cc3F)CC2)c1 ZINC001175460648 1013493052 /nfs/dbraw/zinc/49/30/52/1013493052.db2.gz AUYZDODBVWDEOZ-SFHVURJKSA-N 1 2 363.364 2.729 20 5 FFBDLO O=[N+]([O-])c1cnc2ccc(F)cc2c1N1CC[NH+](Cc2cccnc2)CC1 ZINC000891652557 964733511 /nfs/dbraw/zinc/73/35/11/964733511.db2.gz ARJAZNAPNADYBX-UHFFFAOYSA-N 1 2 367.384 2.999 20 5 FFBDLO Cc1cc(F)cc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1[N+](=O)[O-] ZINC000176717328 966741230 /nfs/dbraw/zinc/74/12/30/966741230.db2.gz ZYXXSTGBFJWNSL-UHFFFAOYSA-N 1 2 358.373 2.968 20 5 FFBDLO CNc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000874893637 1013926279 /nfs/dbraw/zinc/92/62/79/1013926279.db2.gz KJHHMNQRUCKKKX-MRXNPFEDSA-N 1 2 358.373 2.562 20 5 FFBDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000729341725 978246848 /nfs/dbraw/zinc/24/68/48/978246848.db2.gz LAMBNYHBEUMTHG-CQSZACIVSA-N 1 2 361.358 2.544 20 5 FFBDLO O=[N+]([O-])c1ccccc1CCS(=O)(=O)Oc1cccc(-n2cc[nH+]c2)c1 ZINC000163126381 978373667 /nfs/dbraw/zinc/37/36/67/978373667.db2.gz ZVVCMSMWEGUCFC-UHFFFAOYSA-N 1 2 373.390 2.732 20 5 FFBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000047931483 978511990 /nfs/dbraw/zinc/51/19/90/978511990.db2.gz RCYHYLIMZSQFCI-OAHLLOKOSA-N 1 2 360.417 2.556 20 5 FFBDLO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910785789 982049714 /nfs/dbraw/zinc/04/97/14/982049714.db2.gz QPVQHAYAKCAEMQ-UHFFFAOYSA-N 1 2 355.369 2.834 20 5 FFBDLO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910785789 982049725 /nfs/dbraw/zinc/04/97/25/982049725.db2.gz QPVQHAYAKCAEMQ-UHFFFAOYSA-N 1 2 355.369 2.834 20 5 FFBDLO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1nnc2ccccn21 ZINC000172610767 985627482 /nfs/dbraw/zinc/62/74/82/985627482.db2.gz GAWZBDGADRONCD-JTQLQIEISA-N 1 2 374.788 2.580 20 5 FFBDLO C[N@H+](CCOc1ccccc1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172891859 985699700 /nfs/dbraw/zinc/69/97/00/985699700.db2.gz KLTWFUVVEQZUEN-UHFFFAOYSA-N 1 2 353.382 2.822 20 5 FFBDLO C[N@@H+](CCOc1ccccc1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172891859 985699703 /nfs/dbraw/zinc/69/97/03/985699703.db2.gz KLTWFUVVEQZUEN-UHFFFAOYSA-N 1 2 353.382 2.822 20 5 FFBDLO C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000030544713 986946555 /nfs/dbraw/zinc/94/65/55/986946555.db2.gz MSDIKQDPLMYPKD-IYBDPMFKSA-N 1 2 360.458 2.506 20 5 FFBDLO CCc1nc2ccccc2n1C1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000179874031 991366941 /nfs/dbraw/zinc/36/69/41/991366941.db2.gz LYUHCFWQXLSYRM-UHFFFAOYSA-N 1 2 354.414 2.998 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CC4(CCC4)[C@H]3[C@@H]3CCCO3)n2)cc1 ZINC000811789865 995262511 /nfs/dbraw/zinc/26/25/11/995262511.db2.gz ILUQQVBUMORENH-DLBZAZTESA-N 1 2 369.425 2.844 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CC4(CCC4)[C@H]3[C@@H]3CCCO3)n2)cc1 ZINC000811789865 995262522 /nfs/dbraw/zinc/26/25/22/995262522.db2.gz ILUQQVBUMORENH-DLBZAZTESA-N 1 2 369.425 2.844 20 5 FFBDLO CC(C)OCC[NH+]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000821947540 998790074 /nfs/dbraw/zinc/79/00/74/998790074.db2.gz IJXYKTRMJFGYDI-UHFFFAOYSA-N 1 2 373.812 2.570 20 5 FFBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000733992276 999168385 /nfs/dbraw/zinc/16/83/85/999168385.db2.gz NWQUSQSKEODPDF-IBGZPJMESA-N 1 2 355.394 2.971 20 5 FFBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000733992276 999168390 /nfs/dbraw/zinc/16/83/90/999168390.db2.gz NWQUSQSKEODPDF-IBGZPJMESA-N 1 2 355.394 2.971 20 5 FFBDLO Cc1nn(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000740856209 999686888 /nfs/dbraw/zinc/68/68/88/999686888.db2.gz BICUNKHHMAUVHL-RISCZKNCSA-N 1 2 367.450 2.601 20 5 FFBDLO Cc1nn(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000740856209 999686890 /nfs/dbraw/zinc/68/68/90/999686890.db2.gz BICUNKHHMAUVHL-RISCZKNCSA-N 1 2 367.450 2.601 20 5 FFBDLO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)OCc1ccc([N+](=O)[O-])cc1 ZINC000741346846 999723017 /nfs/dbraw/zinc/72/30/17/999723017.db2.gz MPJBGINVSGYXMF-LJQANCHMSA-N 1 2 370.405 2.929 20 5 FFBDLO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)OCc1ccc([N+](=O)[O-])cc1 ZINC000741346846 999723018 /nfs/dbraw/zinc/72/30/18/999723018.db2.gz MPJBGINVSGYXMF-LJQANCHMSA-N 1 2 370.405 2.929 20 5 FFBDLO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000742401273 999773654 /nfs/dbraw/zinc/77/36/54/999773654.db2.gz RKKSKLDQKWWMIO-LBPRGKRZSA-N 1 2 362.361 2.949 20 5 FFBDLO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000742401509 999773897 /nfs/dbraw/zinc/77/38/97/999773897.db2.gz VAVBCKQEAKMQAM-CQSZACIVSA-N 1 2 357.370 2.589 20 5 FFBDLO COC(=O)[C@H](Cc1ccc2ccccc2c1)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169000875 1000014519 /nfs/dbraw/zinc/01/45/19/1000014519.db2.gz ZALQOLYGLVEACQ-MNEFBYGVSA-N 1 2 356.422 2.959 20 5 FFBDLO O=C1OCC[C@@H]2C[N@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CCN12 ZINC000770388752 1000783757 /nfs/dbraw/zinc/78/37/57/1000783757.db2.gz FRZKGCSBSOMFQU-OAHLLOKOSA-N 1 2 357.366 2.881 20 5 FFBDLO O=C1OCC[C@@H]2C[N@@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CCN12 ZINC000770388752 1000783765 /nfs/dbraw/zinc/78/37/65/1000783765.db2.gz FRZKGCSBSOMFQU-OAHLLOKOSA-N 1 2 357.366 2.881 20 5 FFBDLO O=C(N[C@H]1COCc2ccccc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001130042946 1003924590 /nfs/dbraw/zinc/92/45/90/1003924590.db2.gz JEYATEMNAFZXLZ-INIZCTEOSA-N 1 2 364.361 2.782 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CCCC[C@]23CCCOC3)c([N+](=O)[O-])c1 ZINC001198820299 1004749255 /nfs/dbraw/zinc/74/92/55/1004749255.db2.gz IXELBLDFGUFTTK-GOSISDBHSA-N 1 2 363.414 2.577 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CCCC[C@]23CCCOC3)c([N+](=O)[O-])c1 ZINC001198820299 1004749260 /nfs/dbraw/zinc/74/92/60/1004749260.db2.gz IXELBLDFGUFTTK-GOSISDBHSA-N 1 2 363.414 2.577 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000776275816 1005341950 /nfs/dbraw/zinc/34/19/50/1005341950.db2.gz LGLCJSGFRAQAGQ-ZWKOTPCHSA-N 1 2 370.384 2.880 20 5 FFBDLO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C(=O)OC(C)(C)C ZINC000776591382 1005985223 /nfs/dbraw/zinc/98/52/23/1005985223.db2.gz LTYLUEWPJKEXFO-CZUORRHYSA-N 1 2 365.430 2.569 20 5 FFBDLO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C(=O)OC(C)(C)C ZINC000776591382 1005985243 /nfs/dbraw/zinc/98/52/43/1005985243.db2.gz LTYLUEWPJKEXFO-CZUORRHYSA-N 1 2 365.430 2.569 20 5 FFBDLO O=[N+]([O-])c1ccc(F)cc1CN1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000852340281 1005985618 /nfs/dbraw/zinc/98/56/18/1005985618.db2.gz YUNWAJCEYBMZTF-UXHICEINSA-N 1 2 371.412 2.819 20 5 FFBDLO O=[N+]([O-])c1ccc(F)cc1CN1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000852340281 1005985624 /nfs/dbraw/zinc/98/56/24/1005985624.db2.gz YUNWAJCEYBMZTF-UXHICEINSA-N 1 2 371.412 2.819 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000775157201 1006362521 /nfs/dbraw/zinc/36/25/21/1006362521.db2.gz BLSFOTXZHCFHNN-QZTJIDSGSA-N 1 2 370.384 2.880 20 5 FFBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CN1Cc2cc(F)c(F)cc2C1=O ZINC000853513345 1006421159 /nfs/dbraw/zinc/42/11/59/1006421159.db2.gz YLFBOIKSEFGBEF-UHFFFAOYSA-N 1 2 361.348 2.961 20 5 FFBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CN1Cc2cc(F)c(F)cc2C1=O ZINC000853513345 1006421165 /nfs/dbraw/zinc/42/11/65/1006421165.db2.gz YLFBOIKSEFGBEF-UHFFFAOYSA-N 1 2 361.348 2.961 20 5 FFBDLO O=C(N[C@H]1COc2ccccc2C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001136241472 1008192677 /nfs/dbraw/zinc/19/26/77/1008192677.db2.gz RIBFBLCFAMHEEK-OAHLLOKOSA-N 1 2 364.361 2.514 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C(c1ccnn1C)c1ccnn1C ZINC000858583320 1008386193 /nfs/dbraw/zinc/38/61/93/1008386193.db2.gz IXFQCHYHSGOEHZ-CYBMUJFWSA-N 1 2 354.414 2.810 20 5 FFBDLO Cn1nccc1C([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccnn1C ZINC000858584022 1008386315 /nfs/dbraw/zinc/38/63/15/1008386315.db2.gz OFWIGDZKEYKMIG-MRXNPFEDSA-N 1 2 366.425 2.818 20 5 FFBDLO O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000859662343 1008610643 /nfs/dbraw/zinc/61/06/43/1008610643.db2.gz WNVKOCAPKFIYQF-INIZCTEOSA-N 1 2 369.421 2.685 20 5 FFBDLO CCc1[nH]c(CNC(=O)c2c(Br)cccc2[N+](=O)[O-])c[nH+]1 ZINC001178669606 1009074649 /nfs/dbraw/zinc/07/46/49/1009074649.db2.gz KQJSNBGTUFWVMJ-UHFFFAOYSA-N 1 2 353.176 2.573 20 5 FFBDLO CCc1[nH]cc(CNC(=O)c2c(Br)cccc2[N+](=O)[O-])[nH+]1 ZINC001178669606 1009074664 /nfs/dbraw/zinc/07/46/64/1009074664.db2.gz KQJSNBGTUFWVMJ-UHFFFAOYSA-N 1 2 353.176 2.573 20 5 FFBDLO CC(C)c1nnc2n1CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]2C ZINC000411602133 1011829070 /nfs/dbraw/zinc/82/90/70/1011829070.db2.gz BRBZAMYGKMLXSB-ZDUSSCGKSA-N 1 2 372.429 2.715 20 5 FFBDLO CC(C)c1nnc2n1CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]2C ZINC000411602133 1011829083 /nfs/dbraw/zinc/82/90/83/1011829083.db2.gz BRBZAMYGKMLXSB-ZDUSSCGKSA-N 1 2 372.429 2.715 20 5 FFBDLO COc1cccc([C@@H]2CN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)CC[NH2+]2)c1 ZINC000870147557 1012200623 /nfs/dbraw/zinc/20/06/23/1012200623.db2.gz PVCSOYOKUJEKKZ-KRWDZBQOSA-N 1 2 355.394 2.699 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2CCN(c3cccnc3)CC2)c1F ZINC001173178408 1012322654 /nfs/dbraw/zinc/32/26/54/1012322654.db2.gz BMDQDWWJIXBEDX-CQSZACIVSA-N 1 2 374.416 2.891 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCCC3(C2)OCCO3)c1F ZINC001173195826 1012338425 /nfs/dbraw/zinc/33/84/25/1012338425.db2.gz IWIMPDRLXUMUEB-LBPRGKRZSA-N 1 2 354.378 2.512 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CCCC3(C2)OCCO3)c1F ZINC001173195826 1012338431 /nfs/dbraw/zinc/33/84/31/1012338431.db2.gz IWIMPDRLXUMUEB-LBPRGKRZSA-N 1 2 354.378 2.512 20 5 FFBDLO Cc1nn(C[NH+]2CCC(CNC(=O)OC(C)(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000748797028 1017658083 /nfs/dbraw/zinc/65/80/83/1017658083.db2.gz BMCYTAFQVOCIHS-UHFFFAOYSA-N 1 2 367.450 2.602 20 5 FFBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC000930680307 1020132155 /nfs/dbraw/zinc/13/21/55/1020132155.db2.gz GFKSPWQZBPYDEO-TZMCWYRMSA-N 1 2 374.363 2.612 20 5 FFBDLO C[C@H]1C[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)Cc2ccccc21 ZINC000726955868 1020557823 /nfs/dbraw/zinc/55/78/23/1020557823.db2.gz WRNGDPREHWVSMF-LBPRGKRZSA-N 1 2 369.377 2.881 20 5 FFBDLO C[C@H]1C[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)Cc2ccccc21 ZINC000726955868 1020557828 /nfs/dbraw/zinc/55/78/28/1020557828.db2.gz WRNGDPREHWVSMF-LBPRGKRZSA-N 1 2 369.377 2.881 20 5 FFBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1C(=O)NC2(CCCCCC2)C1=O ZINC000800866094 1020611454 /nfs/dbraw/zinc/61/14/54/1020611454.db2.gz RTWOYCWCRDLTRN-UHFFFAOYSA-N 1 2 374.441 2.671 20 5 FFBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1C(=O)NC2(CCCCCC2)C1=O ZINC000800866094 1020611457 /nfs/dbraw/zinc/61/14/57/1020611457.db2.gz RTWOYCWCRDLTRN-UHFFFAOYSA-N 1 2 374.441 2.671 20 5 FFBDLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H]([C@H]2CCCO2)C1 ZINC000933182872 1020973510 /nfs/dbraw/zinc/97/35/10/1020973510.db2.gz ZQSVEGBRAPKNSH-CSMYWGQOSA-N 1 2 366.389 2.667 20 5 FFBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H]([C@H]2CCCO2)C1 ZINC000933182872 1020973519 /nfs/dbraw/zinc/97/35/19/1020973519.db2.gz ZQSVEGBRAPKNSH-CSMYWGQOSA-N 1 2 366.389 2.667 20 5 FFBDLO C[N@H+](CC(F)F)C1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000933707651 1021074148 /nfs/dbraw/zinc/07/41/48/1021074148.db2.gz UKJIYDNTVGKUIX-JKSUJKDBSA-N 1 2 367.396 2.886 20 5 FFBDLO C[N@@H+](CC(F)F)C1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000933707651 1021074155 /nfs/dbraw/zinc/07/41/55/1021074155.db2.gz UKJIYDNTVGKUIX-JKSUJKDBSA-N 1 2 367.396 2.886 20 5 FFBDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778246704 1021249393 /nfs/dbraw/zinc/24/93/93/1021249393.db2.gz KYAAVDLDJKFFPW-CYBMUJFWSA-N 1 2 374.426 2.641 20 5 FFBDLO C[N@@H+]1CC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC001116667449 1021342638 /nfs/dbraw/zinc/34/26/38/1021342638.db2.gz GPHQKYNGWUBCAD-DLBZAZTESA-N 1 2 359.357 2.615 20 5 FFBDLO C[N@H+]1CC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC001116667449 1021342652 /nfs/dbraw/zinc/34/26/52/1021342652.db2.gz GPHQKYNGWUBCAD-DLBZAZTESA-N 1 2 359.357 2.615 20 5 FFBDLO C[N@H+](Cc1ccc(C(N)=O)cc1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001117590947 1021770005 /nfs/dbraw/zinc/77/00/05/1021770005.db2.gz DHRUUNOKPPKDKV-UHFFFAOYSA-N 1 2 365.336 2.927 20 5 FFBDLO C[N@@H+](Cc1ccc(C(N)=O)cc1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001117590947 1021770018 /nfs/dbraw/zinc/77/00/18/1021770018.db2.gz DHRUUNOKPPKDKV-UHFFFAOYSA-N 1 2 365.336 2.927 20 5 FFBDLO O=C([C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000935713668 1021836983 /nfs/dbraw/zinc/83/69/83/1021836983.db2.gz NBIHUPXSHYWAFJ-KURKYZTESA-N 1 2 353.378 2.773 20 5 FFBDLO CC[NH+](CC)Cc1csc(NC(=O)COc2ccccc2[N+](=O)[O-])n1 ZINC001119546029 1022848771 /nfs/dbraw/zinc/84/87/71/1022848771.db2.gz MUDUXRFZEONOIV-UHFFFAOYSA-N 1 2 364.427 2.911 20 5 FFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000839034749 1026569739 /nfs/dbraw/zinc/56/97/39/1026569739.db2.gz BDJQABKNXYNWHO-CYBMUJFWSA-N 1 2 357.370 2.781 20 5 FFBDLO CCOc1nc(N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)ccc1[N+](=O)[O-] ZINC001158620729 1027075777 /nfs/dbraw/zinc/07/57/77/1027075777.db2.gz AIDHBTZCMAZDTC-ZDUSSCGKSA-N 1 2 356.373 2.698 20 5 FFBDLO O=[N+]([O-])c1cc(-c2ccc(NC3CN(c4cccc[nH+]4)C3)nn2)ccc1F ZINC001161325488 1028132654 /nfs/dbraw/zinc/13/26/54/1028132654.db2.gz APJPZECGQHSHHS-UHFFFAOYSA-N 1 2 366.356 2.887 20 5 FFBDLO Cc1c(CNC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)cccc1[N+](=O)[O-] ZINC001154301657 1028230140 /nfs/dbraw/zinc/23/01/40/1028230140.db2.gz PHWMOOHFNDDMHL-UHFFFAOYSA-N 1 2 350.378 2.948 20 5 FFBDLO CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001162853967 1028679527 /nfs/dbraw/zinc/67/95/27/1028679527.db2.gz FMONYAYARSOMRD-NSHDSACASA-N 1 2 366.805 2.877 20 5 FFBDLO Cc1nc(N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)ccc1[N+](=O)[O-] ZINC001165690763 1030086618 /nfs/dbraw/zinc/08/66/18/1030086618.db2.gz LXJFEOYBQBAYHQ-HNNXBMFYSA-N 1 2 357.414 2.558 20 5 FFBDLO COc1c(O)ccc(C[N@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC001204229721 1031178027 /nfs/dbraw/zinc/17/80/27/1031178027.db2.gz RYXGZLYVBYOKQI-NSHDSACASA-N 1 2 369.418 2.654 20 5 FFBDLO COc1c(O)ccc(C[N@@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC001204229721 1031178038 /nfs/dbraw/zinc/17/80/38/1031178038.db2.gz RYXGZLYVBYOKQI-NSHDSACASA-N 1 2 369.418 2.654 20 5 FFBDLO O=[N+]([O-])c1ccc(Cl)nc1OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001226364586 1034651567 /nfs/dbraw/zinc/65/15/67/1034651567.db2.gz OSFCVYVZEUUMDS-CQSZACIVSA-N 1 2 363.801 2.923 20 5 FFBDLO O=[N+]([O-])c1ccc(Cl)nc1OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001226364586 1034651576 /nfs/dbraw/zinc/65/15/76/1034651576.db2.gz OSFCVYVZEUUMDS-CQSZACIVSA-N 1 2 363.801 2.923 20 5 FFBDLO C[C@H](Oc1ncc(F)cc1[N+](=O)[O-])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001226751857 1034820404 /nfs/dbraw/zinc/82/04/04/1034820404.db2.gz UVCDYOAQVJPTPT-SUMWQHHRSA-N 1 2 361.373 2.797 20 5 FFBDLO C[C@H](Oc1ncc(F)cc1[N+](=O)[O-])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001226751857 1034820417 /nfs/dbraw/zinc/82/04/17/1034820417.db2.gz UVCDYOAQVJPTPT-SUMWQHHRSA-N 1 2 361.373 2.797 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001227184821 1034965168 /nfs/dbraw/zinc/96/51/68/1034965168.db2.gz KOCXCFNIQPJJLM-QGZVFWFLSA-N 1 2 358.394 2.883 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001227184821 1034965177 /nfs/dbraw/zinc/96/51/77/1034965177.db2.gz KOCXCFNIQPJJLM-QGZVFWFLSA-N 1 2 358.394 2.883 20 5 FFBDLO Cc1ccc(O[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])n1 ZINC001227221829 1034973550 /nfs/dbraw/zinc/97/35/50/1034973550.db2.gz DLQLMDXWZSZFMR-QAPCUYQASA-N 1 2 357.410 2.967 20 5 FFBDLO Cc1ccc(O[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])n1 ZINC001227221829 1034973556 /nfs/dbraw/zinc/97/35/56/1034973556.db2.gz DLQLMDXWZSZFMR-QAPCUYQASA-N 1 2 357.410 2.967 20 5 FFBDLO CCOC(=O)c1cnc2n1CC[N@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])[C@@H]2C ZINC001254565937 1040802598 /nfs/dbraw/zinc/80/25/98/1040802598.db2.gz RCMWLXCITBSIKY-UONOGXRCSA-N 1 2 372.425 2.976 20 5 FFBDLO CCOC(=O)c1cnc2n1CC[N@@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])[C@@H]2C ZINC001254565937 1040802613 /nfs/dbraw/zinc/80/26/13/1040802613.db2.gz RCMWLXCITBSIKY-UONOGXRCSA-N 1 2 372.425 2.976 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@H](S(=O)(=O)c3ccccc3)C1)C2 ZINC001254602312 1040832867 /nfs/dbraw/zinc/83/28/67/1040832867.db2.gz DBDXBIZVZCQSRU-HKUYNNGSSA-N 1 2 372.446 2.610 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CC[C@H](S(=O)(=O)c3ccccc3)C1)C2 ZINC001254602312 1040832880 /nfs/dbraw/zinc/83/28/80/1040832880.db2.gz DBDXBIZVZCQSRU-HKUYNNGSSA-N 1 2 372.446 2.610 20 5 FFBDLO COC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254604592 1040834696 /nfs/dbraw/zinc/83/46/96/1040834696.db2.gz WQBFSPBGUMAEHG-OALUTQOASA-N 1 2 352.390 2.662 20 5 FFBDLO COC(=O)[C@@H]1Cc2ccccc2C[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254604592 1040834707 /nfs/dbraw/zinc/83/47/07/1040834707.db2.gz WQBFSPBGUMAEHG-OALUTQOASA-N 1 2 352.390 2.662 20 5 FFBDLO 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C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)[C@H]1CCCCN(C)C1=O ZINC001307981521 1052374869 /nfs/dbraw/zinc/37/48/69/1052374869.db2.gz AYWQFMWJGXKVTG-DOMZBBRYSA-N 1 2 373.413 2.649 20 5 FFBDLO Cn1c[nH+]cc1C1CCN(C(=O)CSc2ccccc2[N+](=O)[O-])CC1 ZINC001337767713 1055003532 /nfs/dbraw/zinc/00/35/32/1055003532.db2.gz SUPKXMZNMSYLOL-UHFFFAOYSA-N 1 2 360.439 2.827 20 5 FFBDLO COCCO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001338571614 1055633614 /nfs/dbraw/zinc/63/36/14/1055633614.db2.gz UBELXPCQCHYTIC-ZDUSSCGKSA-N 1 2 359.220 2.595 20 5 FFBDLO COCCO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001338571614 1055633609 /nfs/dbraw/zinc/63/36/09/1055633609.db2.gz UBELXPCQCHYTIC-ZDUSSCGKSA-N 1 2 359.220 2.595 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCCC[C@]12CCOC2 ZINC001339308293 1056316090 /nfs/dbraw/zinc/31/60/90/1056316090.db2.gz ILYZQLBKEGGMPL-GOSISDBHSA-N 1 2 356.382 2.566 20 5 FFBDLO O=C(Nc1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001353891745 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CC(C)(C)c1coc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC001439996633 1063246931 /nfs/dbraw/zinc/24/69/31/1063246931.db2.gz HTLQLHBYWSBKNW-UHFFFAOYSA-N 1 2 369.381 2.996 20 5 FFBDLO Cc1cc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc([N+](=O)[O-])c1 ZINC001440136126 1063270079 /nfs/dbraw/zinc/27/00/79/1063270079.db2.gz DXYXPKDLBPLASH-SFHVURJKSA-N 1 2 355.394 2.743 20 5 FFBDLO Cc1cc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc([N+](=O)[O-])c1 ZINC001440136126 1063270096 /nfs/dbraw/zinc/27/00/96/1063270096.db2.gz DXYXPKDLBPLASH-SFHVURJKSA-N 1 2 355.394 2.743 20 5 FFBDLO CN(CCCNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)c1cccc[nH+]1 ZINC001471494643 1064696010 /nfs/dbraw/zinc/69/60/10/1064696010.db2.gz NSBIYOXOLBPBQN-IAGOWNOFSA-N 1 2 354.410 2.736 20 5 FFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001557725414 1075879747 /nfs/dbraw/zinc/87/97/47/1075879747.db2.gz IBQWNEOHUDPABX-KRWDZBQOSA-N 1 2 359.813 2.964 20 5 FFBDLO 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ZINC000052909722 205189382 /nfs/dbraw/zinc/18/93/82/205189382.db2.gz DHJMCECZRBCKAP-UHFFFAOYSA-N 1 2 366.333 2.819 20 5 FFBDLO O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000108999517 206043431 /nfs/dbraw/zinc/04/34/31/206043431.db2.gz AXCCZURQSIOFAD-UHFFFAOYSA-N 1 2 355.394 2.608 20 5 FFBDLO COc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1[N+](=O)[O-] ZINC000072032846 249761505 /nfs/dbraw/zinc/76/15/05/249761505.db2.gz AQAKPZCIAMWPKH-UHFFFAOYSA-N 1 2 370.340 2.858 20 5 FFBDLO CNC(=O)CC1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000093587940 250040446 /nfs/dbraw/zinc/04/04/46/250040446.db2.gz ODSJZCALZFNTOS-UHFFFAOYSA-N 1 2 370.247 2.705 20 5 FFBDLO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc2C1 ZINC000103411845 250148723 /nfs/dbraw/zinc/14/87/23/250148723.db2.gz JDIXFHDOKPYHII-UHFFFAOYSA-N 1 2 356.338 2.595 20 5 FFBDLO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc2C1 ZINC000103411845 250148729 /nfs/dbraw/zinc/14/87/29/250148729.db2.gz 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O=C1CCCN1[C@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000276774477 256129607 /nfs/dbraw/zinc/12/96/07/256129607.db2.gz ISDQWEGQEJDCHL-INIZCTEOSA-N 1 2 372.450 2.915 20 5 FFBDLO O=C1CCCN1[C@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000276774477 256129609 /nfs/dbraw/zinc/12/96/09/256129609.db2.gz ISDQWEGQEJDCHL-INIZCTEOSA-N 1 2 372.450 2.915 20 5 FFBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000277461104 256200456 /nfs/dbraw/zinc/20/04/56/256200456.db2.gz GOXNOMFNDOYGHX-UHFFFAOYSA-N 1 2 360.414 2.671 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1F ZINC000277468397 256200985 /nfs/dbraw/zinc/20/09/85/256200985.db2.gz PLOAQKAJNVPNMY-UHFFFAOYSA-N 1 2 358.373 2.968 20 5 FFBDLO COc1cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c([N+](=O)[O-])cc1F ZINC000279067726 256377773 /nfs/dbraw/zinc/37/77/73/256377773.db2.gz ADMDOGCXGIKLDS-JKDFXYPNSA-N 1 2 354.378 2.511 20 5 FFBDLO COc1cc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c([N+](=O)[O-])cc1F ZINC000279067726 256377775 /nfs/dbraw/zinc/37/77/75/256377775.db2.gz ADMDOGCXGIKLDS-JKDFXYPNSA-N 1 2 354.378 2.511 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H]1[C@@H]1CCCO1 ZINC000285810219 257005975 /nfs/dbraw/zinc/00/59/75/257005975.db2.gz NHHGINKHLQWRSX-RDJZCZTQSA-N 1 2 356.382 2.564 20 5 FFBDLO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000286193249 257024882 /nfs/dbraw/zinc/02/48/82/257024882.db2.gz ZZKJZVRCSAVTSV-GFCCVEGCSA-N 1 2 355.385 2.857 20 5 FFBDLO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000286193249 257024883 /nfs/dbraw/zinc/02/48/83/257024883.db2.gz ZZKJZVRCSAVTSV-GFCCVEGCSA-N 1 2 355.385 2.857 20 5 FFBDLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000286609042 257045365 /nfs/dbraw/zinc/04/53/65/257045365.db2.gz RMBGUHJVCARJLK-AWEZNQCLSA-N 1 2 373.287 2.663 20 5 FFBDLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000286609042 257045366 /nfs/dbraw/zinc/04/53/66/257045366.db2.gz RMBGUHJVCARJLK-AWEZNQCLSA-N 1 2 373.287 2.663 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000287066047 257069979 /nfs/dbraw/zinc/06/99/79/257069979.db2.gz HPQZDHHMFFULCA-LSDHHAIUSA-N 1 2 362.430 2.539 20 5 FFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@](F)(CO)C1 ZINC000287171764 257075712 /nfs/dbraw/zinc/07/57/12/257075712.db2.gz ZRYHYJBIJQDXQI-BDJLRTHQSA-N 1 2 350.350 2.502 20 5 FFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@](F)(CO)C1 ZINC000287171764 257075713 /nfs/dbraw/zinc/07/57/13/257075713.db2.gz ZRYHYJBIJQDXQI-BDJLRTHQSA-N 1 2 350.350 2.502 20 5 FFBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289879876 257304354 /nfs/dbraw/zinc/30/43/54/257304354.db2.gz ZMALPYDEMOPYGY-RYUDHWBXSA-N 1 2 368.821 2.575 20 5 FFBDLO CCc1cc(N2CCn3c[nH+]cc3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000290648354 257349699 /nfs/dbraw/zinc/34/96/99/257349699.db2.gz INQFDVREUNYBKN-UHFFFAOYSA-N 1 2 350.382 2.831 20 5 FFBDLO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCn2c[nH+]cc2C1 ZINC000290740380 257355552 /nfs/dbraw/zinc/35/55/52/257355552.db2.gz RLBLFKJBMHZBMH-UHFFFAOYSA-N 1 2 363.246 2.861 20 5 FFBDLO COc1ccc(NC(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000296498411 257714216 /nfs/dbraw/zinc/71/42/16/257714216.db2.gz BNQVDUNAJJGIEK-CQSZACIVSA-N 1 2 359.386 2.952 20 5 FFBDLO Cc1cc(N[C@@H](C(N)=O)c2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301120459 258026903 /nfs/dbraw/zinc/02/69/03/258026903.db2.gz QCYSXOUNOQNYOC-QGZVFWFLSA-N 1 2 363.377 2.999 20 5 FFBDLO COc1ccccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000301158049 258030123 /nfs/dbraw/zinc/03/01/23/258030123.db2.gz NYCDYCSNPUWXSC-UHFFFAOYSA-N 1 2 372.381 2.834 20 5 FFBDLO Cc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)on1 ZINC000301348812 258044332 /nfs/dbraw/zinc/04/43/32/258044332.db2.gz JBNPBUZGIMNJIN-UHFFFAOYSA-N 1 2 368.340 2.815 20 5 FFBDLO O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000323618138 258115984 /nfs/dbraw/zinc/11/59/84/258115984.db2.gz BMRFBCRZAFFJSC-UHFFFAOYSA-N 1 2 355.394 2.649 20 5 FFBDLO O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000323618138 258115985 /nfs/dbraw/zinc/11/59/85/258115985.db2.gz BMRFBCRZAFFJSC-UHFFFAOYSA-N 1 2 355.394 2.649 20 5 FFBDLO C[C@@H]1C[NH+]=C(N2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)CC2)S1 ZINC000301512142 258053344 /nfs/dbraw/zinc/05/33/44/258053344.db2.gz FLKREGIMQPDHRK-GFCCVEGCSA-N 1 2 357.439 2.756 20 5 FFBDLO COc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(C)n2)[NH+]2CCOCC2)cc1 ZINC000301619292 258059199 /nfs/dbraw/zinc/05/91/99/258059199.db2.gz DGWNEXJNTMHSAO-SFHVURJKSA-N 1 2 372.425 2.792 20 5 FFBDLO Cn1c2ccccc2nc1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000109960918 132246119 /nfs/dbraw/zinc/24/61/19/132246119.db2.gz OXYUTCVPZAOAEL-UHFFFAOYSA-N 1 2 351.410 2.804 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(Cc1cccnc1)C1CC1 ZINC000032147261 506233000 /nfs/dbraw/zinc/23/30/00/506233000.db2.gz AJQGNDMKRJOSOZ-UHFFFAOYSA-N 1 2 363.377 2.980 20 5 FFBDLO CN(C)c1[nH+]cccc1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000032686976 506278971 /nfs/dbraw/zinc/27/89/71/506278971.db2.gz QHRFWPRBBQXDGL-UHFFFAOYSA-N 1 2 369.425 2.586 20 5 FFBDLO Cc1ccc(C[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C2CC2)o1 ZINC000052994058 506292156 /nfs/dbraw/zinc/29/21/56/506292156.db2.gz DHPYALFQFIVKGA-UHFFFAOYSA-N 1 2 373.365 2.828 20 5 FFBDLO Cc1ccc(C[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C2CC2)o1 ZINC000052994058 506292158 /nfs/dbraw/zinc/29/21/58/506292158.db2.gz DHPYALFQFIVKGA-UHFFFAOYSA-N 1 2 373.365 2.828 20 5 FFBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000369139892 512246631 /nfs/dbraw/zinc/24/66/31/512246631.db2.gz MDBZLFJMZYUKKT-UHFFFAOYSA-N 1 2 370.409 2.787 20 5 FFBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3noc(-c4ccsc4)n3)CC2)n1 ZINC000373280640 512253123 /nfs/dbraw/zinc/25/31/23/512253123.db2.gz YEVROJVKWLHVAD-UHFFFAOYSA-N 1 2 360.399 2.740 20 5 FFBDLO CC(C)c1noc([C@@H](C)N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000065969572 506403917 /nfs/dbraw/zinc/40/39/17/506403917.db2.gz JKNREILMPLWJMZ-CQSZACIVSA-N 1 2 359.430 2.980 20 5 FFBDLO O=C(c1cccc(F)c1)N1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000067387104 506856341 /nfs/dbraw/zinc/85/63/41/506856341.db2.gz DFBMPNSYYORSMD-UHFFFAOYSA-N 1 2 373.384 2.571 20 5 FFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C[NH+]1CCOCC1 ZINC000055816205 506858592 /nfs/dbraw/zinc/85/85/92/506858592.db2.gz PDBOPXKEOGSSIM-UHFFFAOYSA-N 1 2 355.394 2.608 20 5 FFBDLO COc1ccc(CC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC000067797891 507013022 /nfs/dbraw/zinc/01/30/22/507013022.db2.gz ADNNERKPVWJFPT-UHFFFAOYSA-N 1 2 352.350 2.970 20 5 FFBDLO COC(=O)c1cc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc([N+](=O)[O-])c1 ZINC000046106041 507078169 /nfs/dbraw/zinc/07/81/69/507078169.db2.gz PQZYMOIKNYTEED-UHFFFAOYSA-N 1 2 366.333 2.819 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cn4cc(Cl)ccc4n3)CC2)cn1 ZINC000046778035 507192467 /nfs/dbraw/zinc/19/24/67/507192467.db2.gz TUNMQIHAOVPKRJ-UHFFFAOYSA-N 1 2 372.816 2.613 20 5 FFBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCCCn1cc[nH+]c1 ZINC000068360634 507200642 /nfs/dbraw/zinc/20/06/42/507200642.db2.gz YQRRBQCHFHMHMT-LBPRGKRZSA-N 1 2 366.805 2.809 20 5 FFBDLO O=C(CCOc1ccccc1[N+](=O)[O-])NCCCCNc1cccc[nH+]1 ZINC000068423024 507226205 /nfs/dbraw/zinc/22/62/05/507226205.db2.gz FLZTUGHENXTALE-UHFFFAOYSA-N 1 2 358.398 2.767 20 5 FFBDLO CCN(CC)c1ccc(CNC(=O)COc2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000057518377 507282855 /nfs/dbraw/zinc/28/28/55/507282855.db2.gz TUEPOFXDMRAJQI-UHFFFAOYSA-N 1 2 358.398 2.531 20 5 FFBDLO CC(C)c1ccc(C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000367083385 512330008 /nfs/dbraw/zinc/33/00/08/512330008.db2.gz FRJIFXYWANZZNO-QGZVFWFLSA-N 1 2 354.410 2.900 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000023778722 507374379 /nfs/dbraw/zinc/37/43/79/507374379.db2.gz ZZVPCJUQDWZXJE-SFHVURJKSA-N 1 2 368.368 2.916 20 5 FFBDLO C[N@H+](CC(=O)Nc1ccc2c(c1)OCCCO2)Cc1ccccc1[N+](=O)[O-] ZINC000026347508 507581229 /nfs/dbraw/zinc/58/12/29/507581229.db2.gz QGCSCXRKAXAPSO-UHFFFAOYSA-N 1 2 371.393 2.827 20 5 FFBDLO C[N@@H+](CC(=O)Nc1ccc2c(c1)OCCCO2)Cc1ccccc1[N+](=O)[O-] ZINC000026347508 507581236 /nfs/dbraw/zinc/58/12/36/507581236.db2.gz QGCSCXRKAXAPSO-UHFFFAOYSA-N 1 2 371.393 2.827 20 5 FFBDLO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000063112418 507693957 /nfs/dbraw/zinc/69/39/57/507693957.db2.gz LNKLZCFKFNEIQZ-UHFFFAOYSA-N 1 2 369.421 2.942 20 5 FFBDLO O=C(C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000064482709 507799413 /nfs/dbraw/zinc/79/94/13/507799413.db2.gz YARLHFBPITWLPV-HNNXBMFYSA-N 1 2 359.382 2.808 20 5 FFBDLO O=C(C[N@H+](Cc1ccco1)C[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000064482709 507799415 /nfs/dbraw/zinc/79/94/15/507799415.db2.gz YARLHFBPITWLPV-HNNXBMFYSA-N 1 2 359.382 2.808 20 5 FFBDLO Cc1cc(C(=O)N2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)c(C)o1 ZINC000052242737 507804089 /nfs/dbraw/zinc/80/40/89/507804089.db2.gz LSYPTKGXACTNOO-UHFFFAOYSA-N 1 2 373.409 2.641 20 5 FFBDLO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000031564915 507820311 /nfs/dbraw/zinc/82/03/11/507820311.db2.gz WWCKRAZVHGTCEY-INIZCTEOSA-N 1 2 355.394 2.695 20 5 FFBDLO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000031564915 507820312 /nfs/dbraw/zinc/82/03/12/507820312.db2.gz WWCKRAZVHGTCEY-INIZCTEOSA-N 1 2 355.394 2.695 20 5 FFBDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000072966701 507877637 /nfs/dbraw/zinc/87/76/37/507877637.db2.gz ZHISXFUSIDZPIU-GOSISDBHSA-N 1 2 369.421 2.707 20 5 FFBDLO O=[N+]([O-])c1ccccc1C[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000074158257 507992548 /nfs/dbraw/zinc/99/25/48/507992548.db2.gz IGPFQASYPAWJCQ-UHFFFAOYSA-N 1 2 355.423 2.922 20 5 FFBDLO Cc1ncc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)s1 ZINC000110940588 508057568 /nfs/dbraw/zinc/05/75/68/508057568.db2.gz JESNIDUGSOMUKL-UHFFFAOYSA-N 1 2 360.439 2.626 20 5 FFBDLO C[C@@H](c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1)[NH+]1CCOCC1 ZINC000111611818 508110203 /nfs/dbraw/zinc/11/02/03/508110203.db2.gz BSEXATOSSCQUIS-ZDUSSCGKSA-N 1 2 371.393 2.946 20 5 FFBDLO Cc1c(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000075533487 508114727 /nfs/dbraw/zinc/11/47/27/508114727.db2.gz LNTPBPPIYHBAET-NSHDSACASA-N 1 2 359.342 2.554 20 5 FFBDLO COc1cc(F)ccc1N1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000093440508 508145326 /nfs/dbraw/zinc/14/53/26/508145326.db2.gz KFZGYBMHVNMAHM-UHFFFAOYSA-N 1 2 361.373 2.770 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000076032862 508152236 /nfs/dbraw/zinc/15/22/36/508152236.db2.gz YNWMTFVBTMAZFA-UHFFFAOYSA-N 1 2 357.292 2.984 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCSC(C)(C)C1 ZINC000083416042 508244921 /nfs/dbraw/zinc/24/49/21/508244921.db2.gz DXYGUMCHVWQPJO-LLVKDONJSA-N 1 2 353.444 2.758 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCSC(C)(C)C1 ZINC000083416042 508244924 /nfs/dbraw/zinc/24/49/24/508244924.db2.gz DXYGUMCHVWQPJO-LLVKDONJSA-N 1 2 353.444 2.758 20 5 FFBDLO Cc1cccc2[nH+]c(CNC(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)cn21 ZINC000087117186 508337518 /nfs/dbraw/zinc/33/75/18/508337518.db2.gz BEMMOGDIXCAPML-UHFFFAOYSA-N 1 2 365.393 2.819 20 5 FFBDLO NC(=O)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000105401342 508372858 /nfs/dbraw/zinc/37/28/58/508372858.db2.gz CQGNFDPPUCWATM-AWEZNQCLSA-N 1 2 364.199 2.674 20 5 FFBDLO Cc1ccc([C@@H](C)NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000122081835 508478772 /nfs/dbraw/zinc/47/87/72/508478772.db2.gz OFVKLXSAFOQDPU-ZBFHGGJFSA-N 1 2 369.425 2.937 20 5 FFBDLO C[C@H]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000152693560 508495468 /nfs/dbraw/zinc/49/54/68/508495468.db2.gz GPXJJLIIKIWUFA-WMLDXEAASA-N 1 2 357.414 2.627 20 5 FFBDLO C[C@@H](C(=O)NCCc1cccs1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153288642 508568584 /nfs/dbraw/zinc/56/85/84/508568584.db2.gz HLGQQLGVCXLMCO-ZDUSSCGKSA-N 1 2 359.451 2.762 20 5 FFBDLO C[C@@H](C(=O)NCCc1cccs1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153288642 508568587 /nfs/dbraw/zinc/56/85/87/508568587.db2.gz HLGQQLGVCXLMCO-ZDUSSCGKSA-N 1 2 359.451 2.762 20 5 FFBDLO COc1cccc([C@@H]2C[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CCO2)c1 ZINC000154468590 508791453 /nfs/dbraw/zinc/79/14/53/508791453.db2.gz SILHEFPEYASBNY-OALUTQOASA-N 1 2 358.394 2.710 20 5 FFBDLO COc1cccc([C@@H]2C[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CCO2)c1 ZINC000154468590 508791457 /nfs/dbraw/zinc/79/14/57/508791457.db2.gz SILHEFPEYASBNY-OALUTQOASA-N 1 2 358.394 2.710 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CCOCc1ccccc1 ZINC000154559186 508809521 /nfs/dbraw/zinc/80/95/21/508809521.db2.gz JHVVBZGDLZLUJM-UHFFFAOYSA-N 1 2 357.410 2.990 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CCOCc1ccccc1 ZINC000154559186 508809524 /nfs/dbraw/zinc/80/95/24/508809524.db2.gz JHVVBZGDLZLUJM-UHFFFAOYSA-N 1 2 357.410 2.990 20 5 FFBDLO C[C@@H]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H]1n1cc[nH+]c1 ZINC000124973097 508912906 /nfs/dbraw/zinc/91/29/06/508912906.db2.gz PWYUHVZGLVVVIU-PXAZEXFGSA-N 1 2 353.382 2.996 20 5 FFBDLO O=C(NCCCNc1cccc[nH+]1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000120375384 508983435 /nfs/dbraw/zinc/98/34/35/508983435.db2.gz GJJZOOXCBVMNCA-UHFFFAOYSA-N 1 2 355.398 2.560 20 5 FFBDLO COCCCOC1CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000161184634 509082500 /nfs/dbraw/zinc/08/25/00/509082500.db2.gz XKUQEUGJENSBDF-UHFFFAOYSA-N 1 2 358.398 2.602 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000162611950 509264717 /nfs/dbraw/zinc/26/47/17/509264717.db2.gz KHIDVVIMTOOCKM-UHFFFAOYSA-N 1 2 355.398 2.648 20 5 FFBDLO O=C(Cc1cccc([N+](=O)[O-])c1)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000173027247 509356442 /nfs/dbraw/zinc/35/64/42/509356442.db2.gz FGKZDEDWDJTNLE-UHFFFAOYSA-N 1 2 364.405 2.741 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000264196193 509375676 /nfs/dbraw/zinc/37/56/76/509375676.db2.gz RDTFJSPFSKMXNV-UHFFFAOYSA-N 1 2 356.304 2.934 20 5 FFBDLO O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000182724382 509394537 /nfs/dbraw/zinc/39/45/37/509394537.db2.gz IDPSACFXWXOUNE-UHFFFAOYSA-N 1 2 372.406 2.969 20 5 FFBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000192248777 509426719 /nfs/dbraw/zinc/42/67/19/509426719.db2.gz IEPXSXSBMLJEEK-UHFFFAOYSA-N 1 2 360.414 2.915 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(C(=O)c2ccccn2)CC1 ZINC000182857177 509462229 /nfs/dbraw/zinc/46/22/29/509462229.db2.gz YCPXRALJPFAZQQ-OAHLLOKOSA-N 1 2 354.410 2.817 20 5 FFBDLO O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000182941595 509507486 /nfs/dbraw/zinc/50/74/86/509507486.db2.gz LFDUPHPRMWAASB-CVEARBPZSA-N 1 2 369.381 2.565 20 5 FFBDLO CC[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@H](O)C(F)(F)F ZINC000189444145 509579158 /nfs/dbraw/zinc/57/91/58/509579158.db2.gz KCODKHUXTZFIIF-ZDUSSCGKSA-N 1 2 359.304 2.995 20 5 FFBDLO CC[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@H](O)C(F)(F)F ZINC000189444145 509579164 /nfs/dbraw/zinc/57/91/64/509579164.db2.gz KCODKHUXTZFIIF-ZDUSSCGKSA-N 1 2 359.304 2.995 20 5 FFBDLO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1nc(C2CC2)no1 ZINC000179832284 509642306 /nfs/dbraw/zinc/64/23/06/509642306.db2.gz IDCNASDUFFMYHG-OAHLLOKOSA-N 1 2 359.386 2.781 20 5 FFBDLO COc1cnccc1[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000189602006 509656990 /nfs/dbraw/zinc/65/69/90/509656990.db2.gz ZKRFIWTZPJWUAE-GFCCVEGCSA-N 1 2 367.365 2.675 20 5 FFBDLO O=C(NCCC[C@@H]1CCCCO1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000183482241 509817494 /nfs/dbraw/zinc/81/74/94/509817494.db2.gz KQGWULLOHXFKLE-HNNXBMFYSA-N 1 2 358.398 2.860 20 5 FFBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000265142037 509885446 /nfs/dbraw/zinc/88/54/46/509885446.db2.gz JMGINKBGHFVRHI-CQSZACIVSA-N 1 2 355.398 2.901 20 5 FFBDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCS1 ZINC000245430901 509926265 /nfs/dbraw/zinc/92/62/65/509926265.db2.gz AJUSAJHIAWIQNE-DGCLKSJQSA-N 1 2 353.444 2.758 20 5 FFBDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCS1 ZINC000245430901 509926276 /nfs/dbraw/zinc/92/62/76/509926276.db2.gz AJUSAJHIAWIQNE-DGCLKSJQSA-N 1 2 353.444 2.758 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000265222894 509929411 /nfs/dbraw/zinc/92/94/11/509929411.db2.gz GNNRROWZFSHEQF-HNNXBMFYSA-N 1 2 354.410 2.817 20 5 FFBDLO CC1(C)C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C(C)(C)O1 ZINC000180569071 509988617 /nfs/dbraw/zinc/98/86/17/509988617.db2.gz COJANRJZLXJKDW-HNNXBMFYSA-N 1 2 358.398 2.856 20 5 FFBDLO CCOc1cc([N+](=O)[O-])c(C(=O)NCCCNc2cccc[nH+]2)cc1OC ZINC000265414879 510041068 /nfs/dbraw/zinc/04/10/68/510041068.db2.gz BJCCNZHYELCCSK-UHFFFAOYSA-N 1 2 374.397 2.629 20 5 FFBDLO COc1cc(C[NH+]2CCN(c3ccc(O)cc3)CC2)c([N+](=O)[O-])cc1F ZINC000184227601 510205810 /nfs/dbraw/zinc/20/58/10/510205810.db2.gz DUCISKDMDJFLFB-UHFFFAOYSA-N 1 2 361.373 2.770 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+](Cc2ccccn2)C2CC2)c([N+](=O)[O-])c1 ZINC000181315358 510352925 /nfs/dbraw/zinc/35/29/25/510352925.db2.gz FBOOBXWTSYOYGY-UHFFFAOYSA-N 1 2 356.382 2.602 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+](Cc2ccccn2)C2CC2)c([N+](=O)[O-])c1 ZINC000181315358 510352935 /nfs/dbraw/zinc/35/29/35/510352935.db2.gz FBOOBXWTSYOYGY-UHFFFAOYSA-N 1 2 356.382 2.602 20 5 FFBDLO CCOc1ccc(NC(=O)C[NH2+][C@H](COC)c2ccco2)c([N+](=O)[O-])c1 ZINC000184606178 510414045 /nfs/dbraw/zinc/41/40/45/510414045.db2.gz PUEQQZPOPROEFL-CQSZACIVSA-N 1 2 363.370 2.502 20 5 FFBDLO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccco1 ZINC000184623931 510423976 /nfs/dbraw/zinc/42/39/76/510423976.db2.gz ASJYZIBSHIIMOW-BXUZGUMPSA-N 1 2 363.370 2.501 20 5 FFBDLO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cs1 ZINC000184698098 510469772 /nfs/dbraw/zinc/46/97/72/510469772.db2.gz SMQWJJUOGGBOMR-SNVBAGLBSA-N 1 2 364.427 2.912 20 5 FFBDLO O=C1NCCCN1C1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000269686957 510514589 /nfs/dbraw/zinc/51/45/89/510514589.db2.gz GVMFGSKFZSVKRQ-UHFFFAOYSA-N 1 2 352.822 2.628 20 5 FFBDLO C[N@H+](CCc1cccs1)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181925395 510663527 /nfs/dbraw/zinc/66/35/27/510663527.db2.gz RQBRUXCISRLCPY-UHFFFAOYSA-N 1 2 354.453 2.605 20 5 FFBDLO C[N@@H+](CCc1cccs1)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181925395 510663533 /nfs/dbraw/zinc/66/35/33/510663533.db2.gz RQBRUXCISRLCPY-UHFFFAOYSA-N 1 2 354.453 2.605 20 5 FFBDLO Cc1ccc(C[N@H+](CCO)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000181964575 510680447 /nfs/dbraw/zinc/68/04/47/510680447.db2.gz KSEYVGBMCLEXSQ-UHFFFAOYSA-N 1 2 368.393 2.948 20 5 FFBDLO Cc1ccc(C[N@@H+](CCO)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000181964575 510680457 /nfs/dbraw/zinc/68/04/57/510680457.db2.gz KSEYVGBMCLEXSQ-UHFFFAOYSA-N 1 2 368.393 2.948 20 5 FFBDLO C[C@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)no1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000185161396 510719708 /nfs/dbraw/zinc/71/97/08/510719708.db2.gz DDLZTVNRKHSVBY-QWRGUYRKSA-N 1 2 361.402 2.953 20 5 FFBDLO CCC1(CC)C[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])CC[S@]1=O ZINC000185242640 510767790 /nfs/dbraw/zinc/76/77/90/510767790.db2.gz RXLWMRAIZGLMEF-RUZDIDTESA-N 1 2 370.471 2.605 20 5 FFBDLO CCC1(CC)C[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])CC[S@]1=O ZINC000185242640 510767796 /nfs/dbraw/zinc/76/77/96/510767796.db2.gz RXLWMRAIZGLMEF-RUZDIDTESA-N 1 2 370.471 2.605 20 5 FFBDLO COCCN1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1=O ZINC000191696777 510790933 /nfs/dbraw/zinc/79/09/33/510790933.db2.gz XVKOEXQLQQMBMC-UHFFFAOYSA-N 1 2 373.409 2.536 20 5 FFBDLO COCCN1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1=O ZINC000191696777 510790938 /nfs/dbraw/zinc/79/09/38/510790938.db2.gz 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369.490 2.900 20 5 FFBDLO C[C@@H]1COCC[N@H+]1CCSc1nc2cc3ccccc3cc2c(=O)n1C ZINC000412983964 513380040 /nfs/dbraw/zinc/38/00/40/513380040.db2.gz BHJDTJCVMJMQNE-CQSZACIVSA-N 1 2 369.490 2.900 20 5 FFBDLO CCOC1CC(CCNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000451118386 513534758 /nfs/dbraw/zinc/53/47/58/513534758.db2.gz XUFMMDIHINCMCO-UHFFFAOYSA-N 1 2 358.398 2.716 20 5 FFBDLO O=[N+]([O-])c1cc(Br)ccc1C[NH+]1CCC(n2cncn2)CC1 ZINC000425395824 513543920 /nfs/dbraw/zinc/54/39/20/513543920.db2.gz JBMRGUOMSCUWIT-UHFFFAOYSA-N 1 2 366.219 2.786 20 5 FFBDLO CCO[C@H](C)c1noc(C[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000441345542 513547231 /nfs/dbraw/zinc/54/72/31/513547231.db2.gz HLOLQWBCYWUTLU-GFCCVEGCSA-N 1 2 350.375 2.586 20 5 FFBDLO CCO[C@H](C)c1noc(C[N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000441345542 513547234 /nfs/dbraw/zinc/54/72/34/513547234.db2.gz HLOLQWBCYWUTLU-GFCCVEGCSA-N 1 2 350.375 2.586 20 5 FFBDLO COCCO[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425415394 513553876 /nfs/dbraw/zinc/55/38/76/513553876.db2.gz FJNNJRXVEWUNSD-AWEZNQCLSA-N 1 2 373.247 2.985 20 5 FFBDLO COCCO[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425415394 513553883 /nfs/dbraw/zinc/55/38/83/513553883.db2.gz FJNNJRXVEWUNSD-AWEZNQCLSA-N 1 2 373.247 2.985 20 5 FFBDLO CCN1CCN(c2ccc([N+](=O)[O-])c3ncccc23)C[C@@H]1c1[nH]cc[nH+]1 ZINC000413268125 513558380 /nfs/dbraw/zinc/55/83/80/513558380.db2.gz NNTJFSTYXQKIHU-MRXNPFEDSA-N 1 2 352.398 2.749 20 5 FFBDLO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)C[C@@H]1c1ncc[nH]1 ZINC000413268125 513558385 /nfs/dbraw/zinc/55/83/85/513558385.db2.gz NNTJFSTYXQKIHU-MRXNPFEDSA-N 1 2 352.398 2.749 20 5 FFBDLO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)C[C@@H]1c1ncc[nH]1 ZINC000413268125 513558390 /nfs/dbraw/zinc/55/83/90/513558390.db2.gz NNTJFSTYXQKIHU-MRXNPFEDSA-N 1 2 352.398 2.749 20 5 FFBDLO CC(C)[C@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])c1nncn1C ZINC000425439524 513567053 /nfs/dbraw/zinc/56/70/53/513567053.db2.gz APTGLGMAYDNXHA-ZDUSSCGKSA-N 1 2 368.235 2.973 20 5 FFBDLO C[N@@H+]1CCCC(C)(C)[C@H]1CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000447812440 513578779 /nfs/dbraw/zinc/57/87/79/513578779.db2.gz MABBZKWSYMYHGY-LLVKDONJSA-N 1 2 361.489 2.592 20 5 FFBDLO C[N@H+]1CCCC(C)(C)[C@H]1CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000447812440 513578786 /nfs/dbraw/zinc/57/87/86/513578786.db2.gz MABBZKWSYMYHGY-LLVKDONJSA-N 1 2 361.489 2.592 20 5 FFBDLO C[N@@H+]1CCCC(C)(C)[C@H]1CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000447819247 513581599 /nfs/dbraw/zinc/58/15/99/513581599.db2.gz YHRSWDXMYKOXGR-OAHLLOKOSA-N 1 2 355.460 2.531 20 5 FFBDLO C[N@H+]1CCCC(C)(C)[C@H]1CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000447819247 513581605 /nfs/dbraw/zinc/58/16/05/513581605.db2.gz YHRSWDXMYKOXGR-OAHLLOKOSA-N 1 2 355.460 2.531 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000430203374 513587235 /nfs/dbraw/zinc/58/72/35/513587235.db2.gz FHUFCOHLURGNED-KRWDZBQOSA-N 1 2 363.801 2.747 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)n1 ZINC000435584235 513626462 /nfs/dbraw/zinc/62/64/62/513626462.db2.gz NKBLDGWGKJIQDM-MSOLQXFVSA-N 1 2 368.437 2.696 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)n1 ZINC000435584235 513626466 /nfs/dbraw/zinc/62/64/66/513626466.db2.gz NKBLDGWGKJIQDM-MSOLQXFVSA-N 1 2 368.437 2.696 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451264697 513636630 /nfs/dbraw/zinc/63/66/30/513636630.db2.gz NEXAWADECYMDFW-IEBWSBKVSA-N 1 2 360.385 2.903 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451264697 513636633 /nfs/dbraw/zinc/63/66/33/513636633.db2.gz NEXAWADECYMDFW-IEBWSBKVSA-N 1 2 360.385 2.903 20 5 FFBDLO CCOC(=O)[C@H](C)[C@H](C)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000430502467 513669032 /nfs/dbraw/zinc/66/90/32/513669032.db2.gz RMGZGDKJGHCMMK-OLZOCXBDSA-N 1 2 358.398 2.782 20 5 FFBDLO CC(C)Oc1cc(C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000413779923 513812786 /nfs/dbraw/zinc/81/27/86/513812786.db2.gz FXKOMDFWLMOBSO-MRXNPFEDSA-N 1 2 370.409 2.564 20 5 FFBDLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544063 513824509 /nfs/dbraw/zinc/82/45/09/513824509.db2.gz DIEKZUHCKBFVSZ-HNNXBMFYSA-N 1 2 357.414 2.753 20 5 FFBDLO Cc1n[nH]c(C)c1NC(=O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544063 513824516 /nfs/dbraw/zinc/82/45/16/513824516.db2.gz DIEKZUHCKBFVSZ-HNNXBMFYSA-N 1 2 357.414 2.753 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000448834786 513921558 /nfs/dbraw/zinc/92/15/58/513921558.db2.gz KAVMOURTUQTUCY-HNNXBMFYSA-N 1 2 366.381 2.871 20 5 FFBDLO NC(=O)CC[N@H+](Cc1csc([N+](=O)[O-])c1)[C@H]1CCOc2ccccc21 ZINC000451726800 513940450 /nfs/dbraw/zinc/94/04/50/513940450.db2.gz PNIPZJOICUSXOB-AWEZNQCLSA-N 1 2 361.423 2.858 20 5 FFBDLO NC(=O)CC[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@H]1CCOc2ccccc21 ZINC000451726800 513940457 /nfs/dbraw/zinc/94/04/57/513940457.db2.gz PNIPZJOICUSXOB-AWEZNQCLSA-N 1 2 361.423 2.858 20 5 FFBDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444007523 514097041 /nfs/dbraw/zinc/09/70/41/514097041.db2.gz FDJJFGJYYPSKDZ-UHFFFAOYSA-N 1 2 368.343 2.955 20 5 FFBDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444007815 514099899 /nfs/dbraw/zinc/09/98/99/514099899.db2.gz GBZOVOUJVTUAKA-UHFFFAOYSA-N 1 2 350.353 2.816 20 5 FFBDLO Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)n(-c2cc[nH+]cc2)n1 ZINC000437308332 514136981 /nfs/dbraw/zinc/13/69/81/514136981.db2.gz LQAHKJWAZNKILV-UHFFFAOYSA-N 1 2 373.394 2.593 20 5 FFBDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444290377 514182073 /nfs/dbraw/zinc/18/20/73/514182073.db2.gz PBBOIEOLZGCQST-STQMWFEESA-N 1 2 367.424 2.985 20 5 FFBDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444290377 514182077 /nfs/dbraw/zinc/18/20/77/514182077.db2.gz PBBOIEOLZGCQST-STQMWFEESA-N 1 2 367.424 2.985 20 5 FFBDLO CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCCO1 ZINC000452161405 514222377 /nfs/dbraw/zinc/22/23/77/514222377.db2.gz FXRQLMLQZMYAJP-KRWDZBQOSA-N 1 2 358.398 2.668 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(CN3CC[NH+](Cc4cccc(F)c4)CC3)nc2c1 ZINC000444647228 514283614 /nfs/dbraw/zinc/28/36/14/514283614.db2.gz KMGOPOZJSZHIII-UHFFFAOYSA-N 1 2 369.400 2.928 20 5 FFBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000428005701 514371739 /nfs/dbraw/zinc/37/17/39/514371739.db2.gz LSYWVIIMHAZZJF-LBPRGKRZSA-N 1 2 369.406 2.660 20 5 FFBDLO CCN1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000433104025 514382783 /nfs/dbraw/zinc/38/27/83/514382783.db2.gz LDFSKBLJWZLLGR-INIZCTEOSA-N 1 2 371.441 2.501 20 5 FFBDLO Cc1nc([C@@](C)([NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C2CC2)no1 ZINC000433305725 514452898 /nfs/dbraw/zinc/45/28/98/514452898.db2.gz OPQWUWZXNIMFRK-SFHVURJKSA-N 1 2 373.413 2.838 20 5 FFBDLO COc1ccc(OCC[NH2+][C@@](C)(c2noc(C)n2)C2CC2)c([N+](=O)[O-])c1 ZINC000433323078 514459217 /nfs/dbraw/zinc/45/92/17/514459217.db2.gz UGOUQQRGNQGFGE-QGZVFWFLSA-N 1 2 362.386 2.589 20 5 FFBDLO CSc1nnc(CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)s1 ZINC000445662709 514503241 /nfs/dbraw/zinc/50/32/41/514503241.db2.gz CNESKOJYRCWBBQ-UHFFFAOYSA-N 1 2 374.451 2.968 20 5 FFBDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000475015349 514523801 /nfs/dbraw/zinc/52/38/01/514523801.db2.gz JMVCVBNRPPQALV-UHFFFAOYSA-N 1 2 360.320 2.848 20 5 FFBDLO Cc1cc(C[NH+]2CCN(c3nccc4c3cccc4[N+](=O)[O-])CC2)on1 ZINC000450232942 514555907 /nfs/dbraw/zinc/55/59/07/514555907.db2.gz MIPFLCRIMVZZGF-UHFFFAOYSA-N 1 2 353.382 2.762 20 5 FFBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000453573768 514693333 /nfs/dbraw/zinc/69/33/33/514693333.db2.gz HPKOVRQDMXCEKM-UHFFFAOYSA-N 1 2 367.384 2.999 20 5 FFBDLO Cc1cc[nH+]cc1N1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000466596422 514702994 /nfs/dbraw/zinc/70/29/94/514702994.db2.gz LMMYXSFNOQNWAR-UHFFFAOYSA-N 1 2 374.828 2.843 20 5 FFBDLO COc1cccc(C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@@H]2CCCO2)c1 ZINC000475539112 514707768 /nfs/dbraw/zinc/70/77/68/514707768.db2.gz WFQKBRCVUCXNLW-INIZCTEOSA-N 1 2 360.414 2.518 20 5 FFBDLO COc1cccc(C[N@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@@H]2CCCO2)c1 ZINC000475539112 514707779 /nfs/dbraw/zinc/70/77/79/514707779.db2.gz WFQKBRCVUCXNLW-INIZCTEOSA-N 1 2 360.414 2.518 20 5 FFBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000471035729 514727610 /nfs/dbraw/zinc/72/76/10/514727610.db2.gz QIADWXDSDWWDPQ-AWEZNQCLSA-N 1 2 357.366 2.682 20 5 FFBDLO COC(=O)COc1ccc(CN2CCCC[C@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000475694492 514765008 /nfs/dbraw/zinc/76/50/08/514765008.db2.gz GPLQUFDWCQZHAF-AWEZNQCLSA-N 1 2 374.397 2.597 20 5 FFBDLO Cc1cn2cc(NS(=O)(=O)c3c(C)c(C)ccc3[N+](=O)[O-])ccc2[nH+]1 ZINC000479997122 514803020 /nfs/dbraw/zinc/80/30/20/514803020.db2.gz RMSNUJRWZURHQG-UHFFFAOYSA-N 1 2 360.395 2.969 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](c1nc(C)no1)C1CCOCC1 ZINC000498369000 514885892 /nfs/dbraw/zinc/88/58/92/514885892.db2.gz HLWPBINMEUSFRO-MRXNPFEDSA-N 1 2 362.386 2.552 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000489739244 514957174 /nfs/dbraw/zinc/95/71/74/514957174.db2.gz KPUQUTWOSAGFGH-QGZVFWFLSA-N 1 2 373.384 2.980 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000489739244 514957184 /nfs/dbraw/zinc/95/71/84/514957184.db2.gz KPUQUTWOSAGFGH-QGZVFWFLSA-N 1 2 373.384 2.980 20 5 FFBDLO O=[N+]([O-])c1cccc2ncnc(NCc3ccc(Cn4cc[nH+]c4)cc3)c21 ZINC000509058441 515005370 /nfs/dbraw/zinc/00/53/70/515005370.db2.gz TXZKUIGFCFCVAQ-UHFFFAOYSA-N 1 2 360.377 2.817 20 5 FFBDLO CCN1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@H]1c1[nH]cc[nH+]1 ZINC000480704269 515051350 /nfs/dbraw/zinc/05/13/50/515051350.db2.gz DJJRYDJLIDBNED-INIZCTEOSA-N 1 2 352.398 2.749 20 5 FFBDLO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@H]1c1ncc[nH]1 ZINC000480704269 515051354 /nfs/dbraw/zinc/05/13/54/515051354.db2.gz DJJRYDJLIDBNED-INIZCTEOSA-N 1 2 352.398 2.749 20 5 FFBDLO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@H]1c1ncc[nH]1 ZINC000480704269 515051360 /nfs/dbraw/zinc/05/13/60/515051360.db2.gz DJJRYDJLIDBNED-INIZCTEOSA-N 1 2 352.398 2.749 20 5 FFBDLO COc1cc(C[N@H+](C)CC(=O)Nc2cc(F)cc(F)c2)ccc1[N+](=O)[O-] ZINC000489975316 515054572 /nfs/dbraw/zinc/05/45/72/515054572.db2.gz CPSPDICYHGRBMN-UHFFFAOYSA-N 1 2 365.336 2.952 20 5 FFBDLO COc1cc(C[N@@H+](C)CC(=O)Nc2cc(F)cc(F)c2)ccc1[N+](=O)[O-] ZINC000489975316 515054578 /nfs/dbraw/zinc/05/45/78/515054578.db2.gz CPSPDICYHGRBMN-UHFFFAOYSA-N 1 2 365.336 2.952 20 5 FFBDLO C[C@@H]1C[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c2[nH+]ccn21 ZINC000456393197 515151766 /nfs/dbraw/zinc/15/17/66/515151766.db2.gz RLFGOKMONZQASJ-HIFRSBDPSA-N 1 2 369.425 2.830 20 5 FFBDLO Cc1noc(C)c1C[NH+](CCn1cc([N+](=O)[O-])cn1)Cc1c(C)noc1C ZINC000472239764 515181030 /nfs/dbraw/zinc/18/10/30/515181030.db2.gz IUNIQSMXARBAGV-UHFFFAOYSA-N 1 2 374.401 2.703 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(NCc3[nH+]ccn3CCc3ccccc3)nc2c1 ZINC000509551450 515229503 /nfs/dbraw/zinc/22/95/03/515229503.db2.gz GFWJUNZKFVNNPJ-UHFFFAOYSA-N 1 2 362.393 2.944 20 5 FFBDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000468144169 515241345 /nfs/dbraw/zinc/24/13/45/515241345.db2.gz HFWSNEFNTSAEND-UHFFFAOYSA-N 1 2 365.393 2.931 20 5 FFBDLO COC1(c2ccccc2)C[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000504680931 515355027 /nfs/dbraw/zinc/35/50/27/515355027.db2.gz QEILFFSFZPGVCQ-UHFFFAOYSA-N 1 2 355.394 2.781 20 5 FFBDLO C[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000505355388 515512995 /nfs/dbraw/zinc/51/29/95/515512995.db2.gz HSTQVKLSQGDZQA-NSHDSACASA-N 1 2 361.423 2.539 20 5 FFBDLO C[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000505355388 515513001 /nfs/dbraw/zinc/51/30/01/515513001.db2.gz HSTQVKLSQGDZQA-NSHDSACASA-N 1 2 361.423 2.539 20 5 FFBDLO COc1cc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)ccc1[N+](=O)[O-] ZINC000492784581 515563274 /nfs/dbraw/zinc/56/32/74/515563274.db2.gz PWSPYDIGIGEIHR-CQSZACIVSA-N 1 2 357.414 2.979 20 5 FFBDLO COc1cc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)ccc1[N+](=O)[O-] ZINC000492784581 515563291 /nfs/dbraw/zinc/56/32/91/515563291.db2.gz PWSPYDIGIGEIHR-CQSZACIVSA-N 1 2 357.414 2.979 20 5 FFBDLO O=C(CCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccc(F)cc1 ZINC000459513337 515609220 /nfs/dbraw/zinc/60/92/20/515609220.db2.gz RQBDSNXMPVTYBB-UHFFFAOYSA-N 1 2 372.400 2.914 20 5 FFBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000469038277 515640299 /nfs/dbraw/zinc/64/02/99/515640299.db2.gz URJIIGWPNMPHIM-AWEZNQCLSA-N 1 2 363.458 2.685 20 5 FFBDLO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2c(F)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000505798192 515674795 /nfs/dbraw/zinc/67/47/95/515674795.db2.gz ZDLGUHFMKKJSDC-ZNMIVQPWSA-N 1 2 351.422 2.808 20 5 FFBDLO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2c(F)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000505798192 515674805 /nfs/dbraw/zinc/67/48/05/515674805.db2.gz ZDLGUHFMKKJSDC-ZNMIVQPWSA-N 1 2 351.422 2.808 20 5 FFBDLO CC1(C)C[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCO1 ZINC000457174345 515705970 /nfs/dbraw/zinc/70/59/70/515705970.db2.gz CNANKMHLVRXHTN-ZDUSSCGKSA-N 1 2 358.398 2.716 20 5 FFBDLO COC(=O)c1c(C)[nH]c(C(=O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1C ZINC000511072134 515767527 /nfs/dbraw/zinc/76/75/27/515767527.db2.gz JQUWIVZHKBDFMQ-UHFFFAOYSA-N 1 2 373.409 2.684 20 5 FFBDLO COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1C ZINC000511072134 515767533 /nfs/dbraw/zinc/76/75/33/515767533.db2.gz JQUWIVZHKBDFMQ-UHFFFAOYSA-N 1 2 373.409 2.684 20 5 FFBDLO O=C(C[N@@H+]1CCC=C(c2ccco2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000511122598 515791811 /nfs/dbraw/zinc/79/18/11/515791811.db2.gz HIDKTECEKRWNEO-UHFFFAOYSA-N 1 2 353.378 2.866 20 5 FFBDLO O=C(C[N@H+]1CCC=C(c2ccco2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000511122598 515791815 /nfs/dbraw/zinc/79/18/15/515791815.db2.gz HIDKTECEKRWNEO-UHFFFAOYSA-N 1 2 353.378 2.866 20 5 FFBDLO Cc1cc(N2CCN(Cc3cc(O)ccc3[N+](=O)[O-])CC2)nc(C(C)C)[nH+]1 ZINC000506135071 515792511 /nfs/dbraw/zinc/79/25/11/515792511.db2.gz ARRYAJMDKLPKKB-UHFFFAOYSA-N 1 2 371.441 2.844 20 5 FFBDLO CSc1cccc(C(=O)N2CCN(c3c[nH+]ccc3C)CC2)c1[N+](=O)[O-] ZINC000500682175 515815034 /nfs/dbraw/zinc/81/50/34/515815034.db2.gz QDPDPBLNVIPASH-UHFFFAOYSA-N 1 2 372.450 2.983 20 5 FFBDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000511188452 515820166 /nfs/dbraw/zinc/82/01/66/515820166.db2.gz PDOLAFTWUALXFS-ZDUSSCGKSA-N 1 2 352.350 2.745 20 5 FFBDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000511188450 515820656 /nfs/dbraw/zinc/82/06/56/515820656.db2.gz PDOLAFTWUALXFS-CYBMUJFWSA-N 1 2 352.350 2.745 20 5 FFBDLO COC(=O)c1cc(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000469562159 515867347 /nfs/dbraw/zinc/86/73/47/515867347.db2.gz MXCPMLZTJFIMOD-QGZVFWFLSA-N 1 2 369.377 2.594 20 5 FFBDLO COC(=O)c1cc(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000469562159 515867356 /nfs/dbraw/zinc/86/73/56/515867356.db2.gz MXCPMLZTJFIMOD-QGZVFWFLSA-N 1 2 369.377 2.594 20 5 FFBDLO CCNc1ccc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000469580578 515876405 /nfs/dbraw/zinc/87/64/05/515876405.db2.gz MLEXRTUHLINCBA-HNNXBMFYSA-N 1 2 356.382 2.715 20 5 FFBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)Cn1ccc3cc([N+](=O)[O-])ccc31)CCC2 ZINC000501078889 515967972 /nfs/dbraw/zinc/96/79/72/515967972.db2.gz REMGSLJQNLGKRE-OAHLLOKOSA-N 1 2 367.409 2.748 20 5 FFBDLO Cc1ccc(C[N@H+](CCO)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)o1 ZINC000483236929 515997888 /nfs/dbraw/zinc/99/78/88/515997888.db2.gz YXRUASUSIZXBAT-UHFFFAOYSA-N 1 2 358.354 2.541 20 5 FFBDLO Cc1ccc(C[N@@H+](CCO)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)o1 ZINC000483236929 515997895 /nfs/dbraw/zinc/99/78/95/515997895.db2.gz YXRUASUSIZXBAT-UHFFFAOYSA-N 1 2 358.354 2.541 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000483349382 516045396 /nfs/dbraw/zinc/04/53/96/516045396.db2.gz YDJQGPFKWJHFAA-SFHVURJKSA-N 1 2 350.415 2.763 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000483349382 516045406 /nfs/dbraw/zinc/04/54/06/516045406.db2.gz YDJQGPFKWJHFAA-SFHVURJKSA-N 1 2 350.415 2.763 20 5 FFBDLO CCn1cc[nH+]c1CNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000455296617 516102145 /nfs/dbraw/zinc/10/21/45/516102145.db2.gz RFVBXCXBMUGPND-OAHLLOKOSA-N 1 2 357.414 2.900 20 5 FFBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000470139267 516139347 /nfs/dbraw/zinc/13/93/47/516139347.db2.gz ZYOGGMGCTABNMO-UHFFFAOYSA-N 1 2 359.361 2.919 20 5 FFBDLO CN(C)c1[nH+]cccc1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000474786540 516195282 /nfs/dbraw/zinc/19/52/82/516195282.db2.gz UXIRCRPFYKNCJL-UHFFFAOYSA-N 1 2 352.192 2.825 20 5 FFBDLO CC1CCN(c2ccc(C(=O)NCCc3cn(C)c[nH+]3)cc2[N+](=O)[O-])CC1 ZINC000457894406 516214661 /nfs/dbraw/zinc/21/46/61/516214661.db2.gz ZSPVSVOOZIDJKL-UHFFFAOYSA-N 1 2 371.441 2.537 20 5 FFBDLO O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000557713512 516398424 /nfs/dbraw/zinc/39/84/24/516398424.db2.gz AHAVFJCDZOIBDI-UHFFFAOYSA-N 1 2 367.365 2.642 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000554376255 516412278 /nfs/dbraw/zinc/41/22/78/516412278.db2.gz LLIMNRVAFOUAAZ-OALUTQOASA-N 1 2 366.421 2.611 20 5 FFBDLO Cn1cc[nH+]c1-c1cccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000518305342 516607291 /nfs/dbraw/zinc/60/72/91/516607291.db2.gz ZFWDWWIQOVQKOI-UHFFFAOYSA-N 1 2 366.333 2.976 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H]2Cc2ccccc2)cc1 ZINC000544144300 516612203 /nfs/dbraw/zinc/61/22/03/516612203.db2.gz QTOCGQIABUAWHZ-QGZVFWFLSA-N 1 2 360.435 2.686 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H]2Cc2ccccc2)cc1 ZINC000544144300 516612212 /nfs/dbraw/zinc/61/22/12/516612212.db2.gz QTOCGQIABUAWHZ-QGZVFWFLSA-N 1 2 360.435 2.686 20 5 FFBDLO COc1ccncc1CN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000551228718 516616070 /nfs/dbraw/zinc/61/60/70/516616070.db2.gz MJOKYJKWKQYPEI-KRWDZBQOSA-N 1 2 353.382 2.611 20 5 FFBDLO COC(=O)[C@H]([NH2+]CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000513425874 516617616 /nfs/dbraw/zinc/61/76/16/516617616.db2.gz BPJSONGMHIHUCM-CYBMUJFWSA-N 1 2 361.320 2.567 20 5 FFBDLO CCc1ccc([C@H]2C[NH2+]CCN2C(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000518536825 516696826 /nfs/dbraw/zinc/69/68/26/516696826.db2.gz OFRXKRZBWHOHRP-QGZVFWFLSA-N 1 2 355.394 2.650 20 5 FFBDLO COc1ccc(S(=O)(=O)Nc2cccc3cc[nH+]cc32)cc1[N+](=O)[O-] ZINC000532037441 516769458 /nfs/dbraw/zinc/76/94/58/516769458.db2.gz WKKOYMKSLKONBG-UHFFFAOYSA-N 1 2 359.363 2.952 20 5 FFBDLO C[C@@H](O)CN1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](C)C1 ZINC000551583043 516772634 /nfs/dbraw/zinc/77/26/34/516772634.db2.gz JEKBYPQWYZFOPG-LSDHHAIUSA-N 1 2 359.426 2.742 20 5 FFBDLO C[C@@H](O)CN1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](C)C1 ZINC000551583043 516772638 /nfs/dbraw/zinc/77/26/38/516772638.db2.gz JEKBYPQWYZFOPG-LSDHHAIUSA-N 1 2 359.426 2.742 20 5 FFBDLO CCC(CC)([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C(=O)OC ZINC000558737218 516921174 /nfs/dbraw/zinc/92/11/74/516921174.db2.gz XGJXSULXQKVFFC-UHFFFAOYSA-N 1 2 351.403 2.553 20 5 FFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000558741419 516923585 /nfs/dbraw/zinc/92/35/85/516923585.db2.gz DPEAUUOUIRYDAH-KRWDZBQOSA-N 1 2 365.792 2.981 20 5 FFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000558741419 516923592 /nfs/dbraw/zinc/92/35/92/516923592.db2.gz DPEAUUOUIRYDAH-KRWDZBQOSA-N 1 2 365.792 2.981 20 5 FFBDLO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000552053672 517052466 /nfs/dbraw/zinc/05/24/66/517052466.db2.gz RHJGTOGXMUIFAT-UHFFFAOYSA-N 1 2 371.393 2.509 20 5 FFBDLO Cc1ccc(C[NH+]2CCN(Cc3noc(C(C)(C)C)n3)CC2)cc1[N+](=O)[O-] ZINC000552068714 517062517 /nfs/dbraw/zinc/06/25/17/517062517.db2.gz IYEPWYFHWCDLSU-UHFFFAOYSA-N 1 2 373.457 2.902 20 5 FFBDLO COc1ccc(Cc2nc(Cc3cn4ccccc4[nH+]3)no2)cc1[N+](=O)[O-] ZINC000545626448 517315327 /nfs/dbraw/zinc/31/53/27/517315327.db2.gz BIYVELKWMJSEAY-UHFFFAOYSA-N 1 2 365.349 2.816 20 5 FFBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000515888055 517504631 /nfs/dbraw/zinc/50/46/31/517504631.db2.gz DHOHANRROSUBPE-WCQYABFASA-N 1 2 359.348 2.913 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000542863524 517787255 /nfs/dbraw/zinc/78/72/55/517787255.db2.gz STKCFNQCDMFKOA-KRWDZBQOSA-N 1 2 356.426 2.920 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000542863524 517787267 /nfs/dbraw/zinc/78/72/67/517787267.db2.gz STKCFNQCDMFKOA-KRWDZBQOSA-N 1 2 356.426 2.920 20 5 FFBDLO CCc1[nH+]c2ccccc2n1CC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000546921105 517921031 /nfs/dbraw/zinc/92/10/31/517921031.db2.gz KGGIHPBSWOEEAG-UHFFFAOYSA-N 1 2 352.394 2.866 20 5 FFBDLO Cn1c(C(=O)N2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000560600857 517923407 /nfs/dbraw/zinc/92/34/07/517923407.db2.gz VPAUNJOOSJLJLW-UHFFFAOYSA-N 1 2 367.409 2.905 20 5 FFBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2C[N@H+](C)CCN2C)no1 ZINC000547206078 518022964 /nfs/dbraw/zinc/02/29/64/518022964.db2.gz KGZSHXRQNIZPTI-FZMZJTMJSA-N 1 2 363.443 2.749 20 5 FFBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2C[N@@H+](C)CCN2C)no1 ZINC000547206078 518022973 /nfs/dbraw/zinc/02/29/73/518022973.db2.gz KGZSHXRQNIZPTI-FZMZJTMJSA-N 1 2 363.443 2.749 20 5 FFBDLO Cc1c(Br)c(N2CCC[C@@H]2Cn2cc[nH+]c2)ncc1[N+](=O)[O-] ZINC000543435501 518088217 /nfs/dbraw/zinc/08/82/17/518088217.db2.gz XVXAPVPLIYTBKP-LLVKDONJSA-N 1 2 366.219 2.926 20 5 FFBDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000535194270 518164810 /nfs/dbraw/zinc/16/48/10/518164810.db2.gz DGEPUZDVCBJRAO-ZDUSSCGKSA-N 1 2 353.382 2.886 20 5 FFBDLO O=C(NCC1CC[NH+](CC(F)F)CC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000569623099 518209989 /nfs/dbraw/zinc/20/99/89/518209989.db2.gz JUZKWKKRPISSGG-UHFFFAOYSA-N 1 2 366.368 2.783 20 5 FFBDLO C[N@H+](Cc1cc[nH]n1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000563877082 518211114 /nfs/dbraw/zinc/21/11/14/518211114.db2.gz CHOALQYNWKEMSJ-UHFFFAOYSA-N 1 2 372.166 2.555 20 5 FFBDLO C[N@@H+](Cc1cc[nH]n1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000563877082 518211120 /nfs/dbraw/zinc/21/11/20/518211120.db2.gz CHOALQYNWKEMSJ-UHFFFAOYSA-N 1 2 372.166 2.555 20 5 FFBDLO COc1c(C(=O)NCc2ccccc2Cn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000581911359 518496987 /nfs/dbraw/zinc/49/69/87/518496987.db2.gz QTUITTWZVLWVBZ-UHFFFAOYSA-N 1 2 366.377 2.778 20 5 FFBDLO COCC[N@H+](Cc1cccnc1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000564757251 518599562 /nfs/dbraw/zinc/59/95/62/518599562.db2.gz CJIAIGYHWNXMQF-UHFFFAOYSA-N 1 2 361.398 2.656 20 5 FFBDLO COCC[N@@H+](Cc1cccnc1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000564757251 518599569 /nfs/dbraw/zinc/59/95/69/518599569.db2.gz CJIAIGYHWNXMQF-UHFFFAOYSA-N 1 2 361.398 2.656 20 5 FFBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCc2c[nH+]cn2C1 ZINC000587066376 518675785 /nfs/dbraw/zinc/67/57/85/518675785.db2.gz LXRGHIQGXWQEOU-LLVKDONJSA-N 1 2 366.830 2.668 20 5 FFBDLO CCc1ccc(S(=O)(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)cc1[N+](=O)[O-] ZINC000567774365 518704279 /nfs/dbraw/zinc/70/42/79/518704279.db2.gz IBTWQZOCUVCAEH-CQSZACIVSA-N 1 2 352.416 2.556 20 5 FFBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000588070206 518715946 /nfs/dbraw/zinc/71/59/46/518715946.db2.gz OTSCITNNZNOORT-DGCLKSJQSA-N 1 2 370.247 2.657 20 5 FFBDLO CN(c1nc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cs1)C1CC1 ZINC000579905955 518908832 /nfs/dbraw/zinc/90/88/32/518908832.db2.gz HMJDZTPJXAYRLQ-UHFFFAOYSA-N 1 2 362.459 2.684 20 5 FFBDLO COc1cc[nH+]cc1CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000590075571 519143971 /nfs/dbraw/zinc/14/39/71/519143971.db2.gz BSKQINXFARXNBE-UHFFFAOYSA-N 1 2 355.272 2.947 20 5 FFBDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@@H+]2Cc2c(Cl)cccc2[N+](=O)[O-])O1 ZINC000580468511 519192386 /nfs/dbraw/zinc/19/23/86/519192386.db2.gz OOYBMYQSTKQENQ-UGGSBELWSA-N 1 2 368.817 2.932 20 5 FFBDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@H+]2Cc2c(Cl)cccc2[N+](=O)[O-])O1 ZINC000580468511 519192390 /nfs/dbraw/zinc/19/23/90/519192390.db2.gz OOYBMYQSTKQENQ-UGGSBELWSA-N 1 2 368.817 2.932 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000590626035 519295049 /nfs/dbraw/zinc/29/50/49/519295049.db2.gz KIYMLROONRAHHC-AWEZNQCLSA-N 1 2 366.381 2.523 20 5 FFBDLO Cc1ccc(S(=O)(=O)Nc2c[nH+]ccc2N2CCCC2)cc1[N+](=O)[O-] ZINC000577995165 519360711 /nfs/dbraw/zinc/36/07/11/519360711.db2.gz IKLMOUCQURBBCD-UHFFFAOYSA-N 1 2 362.411 2.699 20 5 FFBDLO COc1cc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c([N+](=O)[O-])cc1OCC(F)F ZINC000590972209 519464993 /nfs/dbraw/zinc/46/49/93/519464993.db2.gz XSPHAEQVDFUGOZ-RISCZKNCSA-N 1 2 372.368 2.858 20 5 FFBDLO COc1cc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)c([N+](=O)[O-])cc1OCC(F)F ZINC000590972209 519465003 /nfs/dbraw/zinc/46/50/03/519465003.db2.gz XSPHAEQVDFUGOZ-RISCZKNCSA-N 1 2 372.368 2.858 20 5 FFBDLO Cc1nsc(C)c1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000575326295 519589854 /nfs/dbraw/zinc/58/98/54/519589854.db2.gz MUNVHCHJYINDJK-UHFFFAOYSA-N 1 2 360.439 2.626 20 5 FFBDLO COc1cc(C[N@H+](C)Cc2cnn(C)c2C)c([N+](=O)[O-])cc1OC(F)F ZINC000581244677 519597056 /nfs/dbraw/zinc/59/70/56/519597056.db2.gz LGTUNDLNSDAMHF-UHFFFAOYSA-N 1 2 370.356 2.879 20 5 FFBDLO COc1cc(C[N@@H+](C)Cc2cnn(C)c2C)c([N+](=O)[O-])cc1OC(F)F ZINC000581244677 519597058 /nfs/dbraw/zinc/59/70/58/519597058.db2.gz LGTUNDLNSDAMHF-UHFFFAOYSA-N 1 2 370.356 2.879 20 5 FFBDLO C[C@@H]1C[C@@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000599991136 519988056 /nfs/dbraw/zinc/98/80/56/519988056.db2.gz BBZJBBNYKWMJPU-PSASIEDQSA-N 1 2 365.187 2.990 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC(c2ncco2)CC1 ZINC000600071233 520028123 /nfs/dbraw/zinc/02/81/23/520028123.db2.gz JWORNRVUWSVFLI-UHFFFAOYSA-N 1 2 367.365 2.788 20 5 FFBDLO O=C(NCc1[nH+]ccn1CC(F)(F)F)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000609037573 520179786 /nfs/dbraw/zinc/17/97/86/520179786.db2.gz MDCGUWMQTAANAM-UHFFFAOYSA-N 1 2 362.695 2.937 20 5 FFBDLO O=C1CCc2cc([N+](=O)[O-])c(NCc3[nH+]ccn3CC(F)(F)F)cc2N1 ZINC000609039420 520181062 /nfs/dbraw/zinc/18/10/62/520181062.db2.gz AFOQJLUMSMJWCN-UHFFFAOYSA-N 1 2 369.303 2.850 20 5 FFBDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000597723119 520196949 /nfs/dbraw/zinc/19/69/49/520196949.db2.gz IDRHKZMFMLSVQC-DJIMGWMZSA-N 1 2 354.410 2.838 20 5 FFBDLO O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000597723652 520197437 /nfs/dbraw/zinc/19/74/37/520197437.db2.gz MDJIZNAOWZUZBK-LSDHHAIUSA-N 1 2 354.410 2.829 20 5 FFBDLO O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000597723652 520197444 /nfs/dbraw/zinc/19/74/44/520197444.db2.gz MDJIZNAOWZUZBK-LSDHHAIUSA-N 1 2 354.410 2.829 20 5 FFBDLO Cc1cc(C[NH+]2CCN(Cc3cc([N+](=O)[O-])ccc3OC(C)C)CC2)on1 ZINC000609193482 520227382 /nfs/dbraw/zinc/22/73/82/520227382.db2.gz KHXQOKCXTHJEHP-UHFFFAOYSA-N 1 2 374.441 2.996 20 5 FFBDLO O=C(CCOc1ccccc1[N+](=O)[O-])NCc1ccc[nH+]c1N1CCCC1 ZINC000597941990 520341010 /nfs/dbraw/zinc/34/10/10/520341010.db2.gz VEVPQWJNBFONIZ-UHFFFAOYSA-N 1 2 370.409 2.675 20 5 FFBDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2cc([N+](=O)[O-])cn2C)C[C@H](C)O1 ZINC000603814504 520365737 /nfs/dbraw/zinc/36/57/37/520365737.db2.gz HPDLZRPQHFQZJB-OKILXGFUSA-N 1 2 372.425 2.795 20 5 FFBDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2cc([N+](=O)[O-])cn2C)C[C@H](C)O1 ZINC000603814504 520365747 /nfs/dbraw/zinc/36/57/47/520365747.db2.gz HPDLZRPQHFQZJB-OKILXGFUSA-N 1 2 372.425 2.795 20 5 FFBDLO CNc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000609630444 520388236 /nfs/dbraw/zinc/38/82/36/520388236.db2.gz APTVFYJOEUOYGR-AWEZNQCLSA-N 1 2 369.425 2.551 20 5 FFBDLO CCCC(=O)NC1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000603878456 520389138 /nfs/dbraw/zinc/38/91/38/520389138.db2.gz VRUCOTUDWXJPCJ-UHFFFAOYSA-N 1 2 373.413 2.526 20 5 FFBDLO Cc1nc([C@H]2CCCC[N@@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)no1 ZINC000603904532 520400606 /nfs/dbraw/zinc/40/06/06/520400606.db2.gz UFEIIJGYYTUCDC-OAHLLOKOSA-N 1 2 359.386 2.842 20 5 FFBDLO Cc1nc([C@H]2CCCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)no1 ZINC000603904532 520400613 /nfs/dbraw/zinc/40/06/13/520400613.db2.gz UFEIIJGYYTUCDC-OAHLLOKOSA-N 1 2 359.386 2.842 20 5 FFBDLO Cc1noc(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000595360241 520429459 /nfs/dbraw/zinc/42/94/59/520429459.db2.gz BSSWEHBWJOQXDU-UHFFFAOYSA-N 1 2 350.419 2.552 20 5 FFBDLO Cc1ccc2c(c1)C[N@@H+](CC(=O)Nc1cc3c(cc1[N+](=O)[O-])OCO3)CC2 ZINC000595657033 520627625 /nfs/dbraw/zinc/62/76/25/520627625.db2.gz HPFKTJHWGYVTIV-UHFFFAOYSA-N 1 2 369.377 2.629 20 5 FFBDLO Cc1ccc2c(c1)C[N@H+](CC(=O)Nc1cc3c(cc1[N+](=O)[O-])OCO3)CC2 ZINC000595657033 520627630 /nfs/dbraw/zinc/62/76/30/520627630.db2.gz HPFKTJHWGYVTIV-UHFFFAOYSA-N 1 2 369.377 2.629 20 5 FFBDLO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000598465367 520629319 /nfs/dbraw/zinc/62/93/19/520629319.db2.gz QUFLPZSIJQZTIU-LLVKDONJSA-N 1 2 364.427 2.558 20 5 FFBDLO COC(=O)[C@@]1([NH2+]CCOc2ccc(OC)cc2[N+](=O)[O-])CC[C@@H](C)CC1 ZINC000595709337 520666046 /nfs/dbraw/zinc/66/60/46/520666046.db2.gz ZFJWCOJUSOFJGN-KTXOBNNYSA-N 1 2 366.414 2.694 20 5 FFBDLO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCC1CC[NH+](CC(F)F)CC1 ZINC000601166429 520669154 /nfs/dbraw/zinc/66/91/54/520669154.db2.gz NNJXGKKNXFOMNH-UHFFFAOYSA-N 1 2 371.310 2.736 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000595746198 520694179 /nfs/dbraw/zinc/69/41/79/520694179.db2.gz YEUPDYXQWXRJOX-GMTAPVOTSA-N 1 2 355.822 2.524 20 5 FFBDLO O=C(NC1CC1)[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000593040622 520701005 /nfs/dbraw/zinc/70/10/05/520701005.db2.gz LCQCKUSOPHTBEL-LJQANCHMSA-N 1 2 351.406 2.800 20 5 FFBDLO O=C(NC1CC1)[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000593040622 520701009 /nfs/dbraw/zinc/70/10/09/520701009.db2.gz LCQCKUSOPHTBEL-LJQANCHMSA-N 1 2 351.406 2.800 20 5 FFBDLO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ncc([N+](=O)[O-])cc1Br ZINC000610512520 520721850 /nfs/dbraw/zinc/72/18/50/520721850.db2.gz CUPXYWUDILNMID-GHMZBOCLSA-N 1 2 355.236 2.815 20 5 FFBDLO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1c1ncc([N+](=O)[O-])cc1Br ZINC000610512520 520721857 /nfs/dbraw/zinc/72/18/57/520721857.db2.gz CUPXYWUDILNMID-GHMZBOCLSA-N 1 2 355.236 2.815 20 5 FFBDLO CCOc1ccc(NC(=O)C[NH+]2CCC(c3ccon3)CC2)c([N+](=O)[O-])c1 ZINC000595828807 520753569 /nfs/dbraw/zinc/75/35/69/520753569.db2.gz MWUHIKGEUDJTQZ-UHFFFAOYSA-N 1 2 374.397 2.800 20 5 FFBDLO NC(=O)c1cc(NCc2ccc(N3CCCCC3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000596078425 520899395 /nfs/dbraw/zinc/89/93/95/520899395.db2.gz VXRADYPYWROIFG-UHFFFAOYSA-N 1 2 355.398 2.691 20 5 FFBDLO COc1ccc(OCC[N@@H+]2Cc3ccccc3NC(=O)[C@H]2C)c([N+](=O)[O-])c1 ZINC000598951087 520938450 /nfs/dbraw/zinc/93/84/50/520938450.db2.gz YFUHJSHDBPMGJW-CYBMUJFWSA-N 1 2 371.393 2.825 20 5 FFBDLO COc1ccc(OCC[N@H+]2Cc3ccccc3NC(=O)[C@H]2C)c([N+](=O)[O-])c1 ZINC000598951087 520938461 /nfs/dbraw/zinc/93/84/61/520938461.db2.gz YFUHJSHDBPMGJW-CYBMUJFWSA-N 1 2 371.393 2.825 20 5 FFBDLO CN(CCc1cccc([N+](=O)[O-])c1)c1nc2c(cnn2C(C)(C)C)c(N)[nH+]1 ZINC000596227609 520982734 /nfs/dbraw/zinc/98/27/34/520982734.db2.gz SLVFOZYNLFQEHX-UHFFFAOYSA-N 1 2 369.429 2.751 20 5 FFBDLO CCO[C@@H]1C[C@@H](O)C12CCN(c1ccc3c[nH+]ccc3c1[N+](=O)[O-])CC2 ZINC000599049405 520999557 /nfs/dbraw/zinc/99/95/57/520999557.db2.gz WKYNDVKQBJHUBM-IAGOWNOFSA-N 1 2 357.410 2.899 20 5 FFBDLO COc1ccc(C)cc1C[NH+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000611252938 521060724 /nfs/dbraw/zinc/06/07/24/521060724.db2.gz IPCWSIHOKYUZMT-UHFFFAOYSA-N 1 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O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH+]1CCN(c2cnccn2)CC1 ZINC000602441326 521346221 /nfs/dbraw/zinc/34/62/21/521346221.db2.gz CISSEWODUNSGIE-UHFFFAOYSA-N 1 2 367.331 2.726 20 5 FFBDLO C[C@@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC2(CCCCC2)O1 ZINC000594057642 521377462 /nfs/dbraw/zinc/37/74/62/521377462.db2.gz KBSQPVRDTLLHRR-OAHLLOKOSA-N 1 2 373.453 2.908 20 5 FFBDLO C[C@@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC2(CCCCC2)O1 ZINC000594057642 521377467 /nfs/dbraw/zinc/37/74/67/521377467.db2.gz KBSQPVRDTLLHRR-OAHLLOKOSA-N 1 2 373.453 2.908 20 5 FFBDLO COC[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000602803780 521541578 /nfs/dbraw/zinc/54/15/78/521541578.db2.gz DLYSTPOWGNCVRB-ZDUSSCGKSA-N 1 2 358.320 2.824 20 5 FFBDLO C[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F ZINC000602814643 521549307 /nfs/dbraw/zinc/54/93/07/521549307.db2.gz LONYIMBEIJRBCX-SECBINFHSA-N 1 2 350.329 2.924 20 5 FFBDLO CC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@]2(CCOC2)O1 ZINC000619434270 521565979 /nfs/dbraw/zinc/56/59/79/521565979.db2.gz YEIMNKVPFHDZDI-PBHICJAKSA-N 1 2 372.368 2.966 20 5 FFBDLO CC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@]2(CCOC2)O1 ZINC000619434270 521565982 /nfs/dbraw/zinc/56/59/82/521565982.db2.gz YEIMNKVPFHDZDI-PBHICJAKSA-N 1 2 372.368 2.966 20 5 FFBDLO Cn1cc([C@@H]2CCCN2c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])cn1 ZINC000615996175 521597781 /nfs/dbraw/zinc/59/77/81/521597781.db2.gz RBQVCXFQWONWFS-KRWDZBQOSA-N 1 2 371.441 2.502 20 5 FFBDLO CCS[C@H]1CCCC[N@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000153104465 728772473 /nfs/dbraw/zinc/77/24/73/728772473.db2.gz UNLMPICFJKDNGP-ZDUSSCGKSA-N 1 2 363.439 2.756 20 5 FFBDLO CCS[C@H]1CCCC[N@@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000153104465 728772474 /nfs/dbraw/zinc/77/24/74/728772474.db2.gz UNLMPICFJKDNGP-ZDUSSCGKSA-N 1 2 363.439 2.756 20 5 FFBDLO COc1ccc(-c2ccc(C[N@@H+]3CC[C@H](O)[C@@H](F)C3)o2)c([N+](=O)[O-])c1 ZINC000898192657 735324690 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351.309 2.891 20 5 FFBDLO C[C@H](Nc1cccc(Br)c1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000856729038 730350973 /nfs/dbraw/zinc/35/09/73/730350973.db2.gz NNKWEZYFMPGRSS-QWRGUYRKSA-N 1 2 358.236 2.878 20 5 FFBDLO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000859326755 730450253 /nfs/dbraw/zinc/45/02/53/730450253.db2.gz UNXJFDGFBVRDKQ-CYBMUJFWSA-N 1 2 367.833 2.575 20 5 FFBDLO C[C@H]1C[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC[C@@H](C(F)(F)F)O1 ZINC000872816448 731836719 /nfs/dbraw/zinc/83/67/19/731836719.db2.gz JBLAFYNDPBMZFM-HZMBPMFUSA-N 1 2 358.320 2.944 20 5 FFBDLO C[C@H]1C[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC[C@@H](C(F)(F)F)O1 ZINC000872816448 731836724 /nfs/dbraw/zinc/83/67/24/731836724.db2.gz JBLAFYNDPBMZFM-HZMBPMFUSA-N 1 2 358.320 2.944 20 5 FFBDLO O=C(C[N@@H+]1CC[C@H]2CSC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000879558471 732722696 /nfs/dbraw/zinc/72/26/96/732722696.db2.gz JHEWNWYXZGVRMW-QWRGUYRKSA-N 1 2 355.847 2.872 20 5 FFBDLO O=C(C[N@H+]1CC[C@H]2CSC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000879558471 732722699 /nfs/dbraw/zinc/72/26/99/732722699.db2.gz JHEWNWYXZGVRMW-QWRGUYRKSA-N 1 2 355.847 2.872 20 5 FFBDLO C[C@@H](CC(=O)NCc1ccc(Br)cc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000881864988 733122774 /nfs/dbraw/zinc/12/27/74/733122774.db2.gz ISCCWNKRIFNWQN-JTQLQIEISA-N 1 2 367.203 2.821 20 5 FFBDLO C[NH+](C)Cc1csc(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000927766666 738780437 /nfs/dbraw/zinc/78/04/37/738780437.db2.gz VJSNLRPNWWOCFU-UHFFFAOYSA-N 1 2 354.819 2.696 20 5 FFBDLO C[NH+](C)Cc1csc(CNc2ncc([N+](=O)[O-])cc2Br)n1 ZINC000895484252 735013596 /nfs/dbraw/zinc/01/35/96/735013596.db2.gz JAKJEUFLJKGMFG-UHFFFAOYSA-N 1 2 372.248 2.883 20 5 FFBDLO C[C@H](OC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000741146354 735119791 /nfs/dbraw/zinc/11/97/91/735119791.db2.gz IAZNBEWZMQPFCA-HZMBPMFUSA-N 1 2 369.805 2.603 20 5 FFBDLO C[C@H](OC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000741146354 735119796 /nfs/dbraw/zinc/11/97/96/735119796.db2.gz IAZNBEWZMQPFCA-HZMBPMFUSA-N 1 2 369.805 2.603 20 5 FFBDLO C[N@H+](CC(F)F)C1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000742238397 735213444 /nfs/dbraw/zinc/21/34/44/735213444.db2.gz WLYPJBCAEKVOGW-UHFFFAOYSA-N 1 2 373.425 2.875 20 5 FFBDLO C[N@@H+](CC(F)F)C1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000742238397 735213449 /nfs/dbraw/zinc/21/34/49/735213449.db2.gz WLYPJBCAEKVOGW-UHFFFAOYSA-N 1 2 373.425 2.875 20 5 FFBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897448047 735235520 /nfs/dbraw/zinc/23/55/20/735235520.db2.gz GWFGSAOJTAGILZ-ZETCQYMHSA-N 1 2 373.171 2.982 20 5 FFBDLO CC(C)(C)OC(=O)NCC[N@H+](CCO)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000767929669 737383737 /nfs/dbraw/zinc/38/37/37/737383737.db2.gz COOXCIJLPDPGCR-UHFFFAOYSA-N 1 2 373.837 2.567 20 5 FFBDLO CC(C)(C)OC(=O)NCC[N@@H+](CCO)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000767929669 737383742 /nfs/dbraw/zinc/38/37/42/737383742.db2.gz COOXCIJLPDPGCR-UHFFFAOYSA-N 1 2 373.837 2.567 20 5 FFBDLO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000768554523 737432544 /nfs/dbraw/zinc/43/25/44/737432544.db2.gz JBIWQEMLZIKHGB-LLVKDONJSA-N 1 2 365.739 2.843 20 5 FFBDLO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000768554523 737432545 /nfs/dbraw/zinc/43/25/45/737432545.db2.gz JBIWQEMLZIKHGB-LLVKDONJSA-N 1 2 365.739 2.843 20 5 FFBDLO CC(=O)N(C)C1CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000769140396 737499996 /nfs/dbraw/zinc/49/99/96/737499996.db2.gz OEVWRCQHGPURSI-UHFFFAOYSA-N 1 2 370.247 2.800 20 5 FFBDLO COC(=O)[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@@H]([C@H]2CCCO2)C1 ZINC000933179997 739579510 /nfs/dbraw/zinc/57/95/10/739579510.db2.gz LJLHAGTUKGXAQC-MGPQQGTHSA-N 1 2 354.428 2.589 20 5 FFBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@@H]([C@H]2CCCO2)C1 ZINC000933179997 739579512 /nfs/dbraw/zinc/57/95/12/739579512.db2.gz LJLHAGTUKGXAQC-MGPQQGTHSA-N 1 2 354.428 2.589 20 5 FFBDLO Nc1cc(COC(=O)c2ccc([N+](=O)[O-])cc2Br)cc[nH+]1 ZINC000791928642 739617506 /nfs/dbraw/zinc/61/75/06/739617506.db2.gz GCQMAHUZQUSQPM-UHFFFAOYSA-N 1 2 352.144 2.692 20 5 FFBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000792472754 739673646 /nfs/dbraw/zinc/67/36/46/739673646.db2.gz BGJUDTSZDUTWHF-UHFFFAOYSA-N 1 2 366.171 3.000 20 5 FFBDLO CC(C)[N@@H+](Cc1cccc([N+](=O)[O-])c1Br)C[C@@H]1CCC(=O)N1 ZINC000839668650 746887409 /nfs/dbraw/zinc/88/74/09/746887409.db2.gz FCCHVCSEXWRPHH-LBPRGKRZSA-N 1 2 370.247 2.846 20 5 FFBDLO CC(C)[N@H+](Cc1cccc([N+](=O)[O-])c1Br)C[C@@H]1CCC(=O)N1 ZINC000839668650 746887415 /nfs/dbraw/zinc/88/74/15/746887415.db2.gz FCCHVCSEXWRPHH-LBPRGKRZSA-N 1 2 370.247 2.846 20 5 FFBDLO COC(=O)NC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000852765640 749949829 /nfs/dbraw/zinc/94/98/29/749949829.db2.gz SVGZFLOBHBMBCM-UHFFFAOYSA-N 1 2 361.320 2.934 20 5 FFBDLO CC1CCC(N(C)C(=O)C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000025786500 971798995 /nfs/dbraw/zinc/79/89/95/971798995.db2.gz QGIOXCRDROBTFY-UHFFFAOYSA-N 1 2 374.485 2.754 20 5 FFBDLO C[C@@H]([NH2+][C@@H](CO)c1ccc(F)cc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001174799213 1013316272 /nfs/dbraw/zinc/31/62/72/1013316272.db2.gz SWQJSXGWAAGIDG-HWPZZCPQSA-N 1 2 365.336 2.523 20 5 FFBDLO COC(=O)[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H]([C@H]2CCCO2)C1 ZINC000933179566 963674403 /nfs/dbraw/zinc/67/44/03/963674403.db2.gz JKRIINARYPVBHB-CSMYWGQOSA-N 1 2 366.389 2.667 20 5 FFBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H]([C@H]2CCCO2)C1 ZINC000933179566 963674409 /nfs/dbraw/zinc/67/44/09/963674409.db2.gz JKRIINARYPVBHB-CSMYWGQOSA-N 1 2 366.389 2.667 20 5 FFBDLO CCC(=O)NC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC001176144622 1013626967 /nfs/dbraw/zinc/62/69/67/1013626967.db2.gz HONKHDHHDMHMMA-UHFFFAOYSA-N 1 2 370.247 2.848 20 5 FFBDLO O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000067072063 977614274 /nfs/dbraw/zinc/61/42/74/977614274.db2.gz VMRDKUSHMVFOBJ-UHFFFAOYSA-N 1 2 367.321 2.619 20 5 FFBDLO Cc1ccccc1[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000126212260 977868380 /nfs/dbraw/zinc/86/83/80/977868380.db2.gz WHGSUUJEUFYTSY-PXNSSMCTSA-N 1 2 372.421 2.716 20 5 FFBDLO Cc1ccccc1[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000126212260 977868391 /nfs/dbraw/zinc/86/83/91/977868391.db2.gz WHGSUUJEUFYTSY-PXNSSMCTSA-N 1 2 372.421 2.716 20 5 FFBDLO Cc1ccccc1[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001152129915 1032108934 /nfs/dbraw/zinc/10/89/34/1032108934.db2.gz GOUNAUPLXGEQCG-INIZCTEOSA-N 1 2 366.377 2.552 20 5 FFBDLO CC(C)COC1CC[NH+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC000172896959 985703270 /nfs/dbraw/zinc/70/32/70/985703270.db2.gz NVQBQCKPQWNLHE-UHFFFAOYSA-N 1 2 359.430 2.948 20 5 FFBDLO C[C@H](NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1[N+](=O)[O-] ZINC000444134064 989217186 /nfs/dbraw/zinc/21/71/86/989217186.db2.gz GFALOIYDPLRNLO-UONOGXRCSA-N 1 2 357.414 2.979 20 5 FFBDLO COc1ccccc1[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000879631253 1015618426 /nfs/dbraw/zinc/61/84/26/1015618426.db2.gz RBGQJXYRWRXYMB-MJGOQNOKSA-N 1 2 358.394 2.710 20 5 FFBDLO COc1ccccc1[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000879631253 1015618428 /nfs/dbraw/zinc/61/84/28/1015618428.db2.gz RBGQJXYRWRXYMB-MJGOQNOKSA-N 1 2 358.394 2.710 20 5 FFBDLO Cc1cc(C)n2c(C[NH+]3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cnc2n1 ZINC000179534697 991288958 /nfs/dbraw/zinc/28/89/58/991288958.db2.gz RFNMXZIGYZKFDP-UHFFFAOYSA-N 1 2 366.425 2.577 20 5 FFBDLO O=C(OCCCOCC(F)(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000179701646 991321349 /nfs/dbraw/zinc/32/13/49/991321349.db2.gz DEFDRDQEKDKBHG-UHFFFAOYSA-N 1 2 373.287 2.906 20 5 FFBDLO C[C@H]1C[C@@H](C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)CCC1=O ZINC000813173211 995635097 /nfs/dbraw/zinc/63/50/97/995635097.db2.gz VGPHMFJTHQKMFK-QRTARXTBSA-N 1 2 360.410 2.718 20 5 FFBDLO C[C@H]1C[C@@H](C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)CCC1=O ZINC000813173211 995635102 /nfs/dbraw/zinc/63/51/02/995635102.db2.gz VGPHMFJTHQKMFK-QRTARXTBSA-N 1 2 360.410 2.718 20 5 FFBDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000727492522 995835712 /nfs/dbraw/zinc/83/57/12/995835712.db2.gz YNAFZDOIHMEQNM-KRWDZBQOSA-N 1 2 369.425 2.977 20 5 FFBDLO CC[NH+](CC)Cc1csc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)n1 ZINC001143857166 997747865 /nfs/dbraw/zinc/74/78/65/997747865.db2.gz CELHQIWHGSRABM-UHFFFAOYSA-N 1 2 367.406 2.867 20 5 FFBDLO CCn1cc(C[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C(C)C)cn1 ZINC000844736722 998131947 /nfs/dbraw/zinc/13/19/47/998131947.db2.gz FVCPWDOYJPALMH-UHFFFAOYSA-N 1 2 369.429 2.938 20 5 FFBDLO CCn1cc(C[N@@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C(C)C)cn1 ZINC000844736722 998131958 /nfs/dbraw/zinc/13/19/58/998131958.db2.gz FVCPWDOYJPALMH-UHFFFAOYSA-N 1 2 369.429 2.938 20 5 FFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000743839540 999833237 /nfs/dbraw/zinc/83/32/37/999833237.db2.gz JPTRVXLTJCUQOY-CYBMUJFWSA-N 1 2 357.370 2.781 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000767859866 1000152795 /nfs/dbraw/zinc/15/27/95/1000152795.db2.gz SXLAYAWORLLQCE-UHFFFAOYSA-N 1 2 369.421 2.825 20 5 FFBDLO O=C1OCCN1[C@@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000826995724 1016484954 /nfs/dbraw/zinc/48/49/54/1016484954.db2.gz ZWVLWPOMOGCLHF-OAHLLOKOSA-N 1 2 374.422 2.745 20 5 FFBDLO O=C1OCCN1[C@@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000826995724 1016484960 /nfs/dbraw/zinc/48/49/60/1016484960.db2.gz ZWVLWPOMOGCLHF-OAHLLOKOSA-N 1 2 374.422 2.745 20 5 FFBDLO COc1ccc(C[C@H](C)[NH+]2CCN(Cc3ccco3)CC2)c([N+](=O)[O-])c1 ZINC001170347568 1003133378 /nfs/dbraw/zinc/13/33/78/1003133378.db2.gz RXUBPMPRBDPMDO-HNNXBMFYSA-N 1 2 359.426 2.945 20 5 FFBDLO COc1ccc(C[C@H](C)N2CC[NH+](Cc3ccco3)CC2)c([N+](=O)[O-])c1 ZINC001170347568 1003133384 /nfs/dbraw/zinc/13/33/84/1003133384.db2.gz RXUBPMPRBDPMDO-HNNXBMFYSA-N 1 2 359.426 2.945 20 5 FFBDLO C[C@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C(=O)OC(C)(C)C ZINC000776591383 1005985142 /nfs/dbraw/zinc/98/51/42/1005985142.db2.gz LTYLUEWPJKEXFO-XJKSGUPXSA-N 1 2 365.430 2.569 20 5 FFBDLO C[C@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C(=O)OC(C)(C)C ZINC000776591383 1005985152 /nfs/dbraw/zinc/98/51/52/1005985152.db2.gz LTYLUEWPJKEXFO-XJKSGUPXSA-N 1 2 365.430 2.569 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000747861671 1005996159 /nfs/dbraw/zinc/99/61/59/1005996159.db2.gz YBGNVPBCCJAWRW-UHFFFAOYSA-N 1 2 374.397 2.623 20 5 FFBDLO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000882689425 1006474756 /nfs/dbraw/zinc/47/47/56/1006474756.db2.gz JKAKCUQKFSJZPY-UHFFFAOYSA-N 1 2 355.394 2.825 20 5 FFBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000853912764 1006581849 /nfs/dbraw/zinc/58/18/49/1006581849.db2.gz QUPPQDIVHQJFJV-QZTJIDSGSA-N 1 2 359.426 2.853 20 5 FFBDLO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3O)C2)cc1 ZINC001152419471 1032164095 /nfs/dbraw/zinc/16/40/95/1032164095.db2.gz SFSMSWSRDYLIEF-HNNXBMFYSA-N 1 2 355.394 2.613 20 5 FFBDLO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3O)C2)cc1 ZINC001152419471 1032164105 /nfs/dbraw/zinc/16/41/05/1032164105.db2.gz SFSMSWSRDYLIEF-HNNXBMFYSA-N 1 2 355.394 2.613 20 5 FFBDLO Cc1noc(C[N@@H+]2C[C@H]3CCC[C@]3(NC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000856813681 1007986769 /nfs/dbraw/zinc/98/67/69/1007986769.db2.gz LLBBRJGSNSYYGG-PXAZEXFGSA-N 1 2 366.418 2.770 20 5 FFBDLO Cc1noc(C[N@H+]2C[C@H]3CCC[C@]3(NC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000856813681 1007986775 /nfs/dbraw/zinc/98/67/75/1007986775.db2.gz LLBBRJGSNSYYGG-PXAZEXFGSA-N 1 2 366.418 2.770 20 5 FFBDLO Nc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000819905027 1008248632 /nfs/dbraw/zinc/24/86/32/1008248632.db2.gz IFYIVJSYDYZTLZ-MRXNPFEDSA-N 1 2 358.373 2.919 20 5 FFBDLO Nc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000819905027 1008248639 /nfs/dbraw/zinc/24/86/39/1008248639.db2.gz IFYIVJSYDYZTLZ-MRXNPFEDSA-N 1 2 358.373 2.919 20 5 FFBDLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000857989269 1008271005 /nfs/dbraw/zinc/27/10/05/1008271005.db2.gz GLEWIQVUOQGAHR-OAHLLOKOSA-N 1 2 355.398 2.656 20 5 FFBDLO O=C(NCCCCNc1cccc[nH+]1)NCCc1cccc([N+](=O)[O-])c1 ZINC000126155176 1009216396 /nfs/dbraw/zinc/21/63/96/1009216396.db2.gz CQXZLJIRNYJAAD-UHFFFAOYSA-N 1 2 357.414 2.724 20 5 FFBDLO O=C(N[C@H]1CCOC12CCCC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000890409160 1010398700 /nfs/dbraw/zinc/39/87/00/1010398700.db2.gz DPMHBFKUTHRUGI-INIZCTEOSA-N 1 2 356.382 2.612 20 5 FFBDLO COc1cccc([C@H]2CN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC[NH2+]2)c1 ZINC000870147887 1012204222 /nfs/dbraw/zinc/20/42/22/1012204222.db2.gz SUBNDSFZUIJHTL-QPGLYAHGSA-N 1 2 367.405 2.790 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2CCN(c3ccccn3)CC2)c1F ZINC001173181872 1012326842 /nfs/dbraw/zinc/32/68/42/1012326842.db2.gz FEBUIKVVDHXPCQ-CQSZACIVSA-N 1 2 374.416 2.891 20 5 FFBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC001173220649 1012350646 /nfs/dbraw/zinc/35/06/46/1012350646.db2.gz BPPXGYOIQUOFSE-JTQLQIEISA-N 1 2 355.320 2.652 20 5 FFBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC001173220649 1012350660 /nfs/dbraw/zinc/35/06/60/1012350660.db2.gz BPPXGYOIQUOFSE-JTQLQIEISA-N 1 2 355.320 2.652 20 5 FFBDLO CCC(=O)c1ccc(N(C)CC(C)(C)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000795123426 1012437821 /nfs/dbraw/zinc/43/78/21/1012437821.db2.gz WDLQCSHLSAESDG-UHFFFAOYSA-N 1 2 363.458 2.982 20 5 FFBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CCSc2ccncc2)CC1 ZINC000930587898 1020094090 /nfs/dbraw/zinc/09/40/90/1020094090.db2.gz FJXAOVUPUCRKRY-UHFFFAOYSA-N 1 2 372.450 2.540 20 5 FFBDLO CCOC(=O)N1CCC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000777954596 1020296165 /nfs/dbraw/zinc/29/61/65/1020296165.db2.gz LVCMXWKSRRFQMG-UHFFFAOYSA-N 1 2 373.413 2.580 20 5 FFBDLO CCOC(=O)N1CCC[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000777954596 1020296172 /nfs/dbraw/zinc/29/61/72/1020296172.db2.gz LVCMXWKSRRFQMG-UHFFFAOYSA-N 1 2 373.413 2.580 20 5 FFBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)cc1 ZINC000931492431 1020488720 /nfs/dbraw/zinc/48/87/20/1020488720.db2.gz XNFYSNQNHZPLDO-UFYCRDLUSA-N 1 2 353.422 2.587 20 5 FFBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)cc1 ZINC000931492431 1020488725 /nfs/dbraw/zinc/48/87/25/1020488725.db2.gz XNFYSNQNHZPLDO-UFYCRDLUSA-N 1 2 353.422 2.587 20 5 FFBDLO Cc1nn(C[NH+]2CCN(c3cccc(C)c3)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749938182 1021147381 /nfs/dbraw/zinc/14/73/81/1021147381.db2.gz QALACAZXQPBPID-UHFFFAOYSA-N 1 2 366.425 2.736 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCN(Cc2cc(C)on2)CC1 ZINC001116442979 1021219121 /nfs/dbraw/zinc/21/91/21/1021219121.db2.gz AKDYYCZYXYIMOA-UHFFFAOYSA-N 1 2 374.441 2.998 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCN(Cc2cc(C)on2)CC1 ZINC001116442979 1021219128 /nfs/dbraw/zinc/21/91/28/1021219128.db2.gz AKDYYCZYXYIMOA-UHFFFAOYSA-N 1 2 374.441 2.998 20 5 FFBDLO CCCSc1nc(O[C@@H]2CCC23CC[NH2+]CC3)c([N+](=O)[O-])c(=O)[nH]1 ZINC001218080098 1032984957 /nfs/dbraw/zinc/98/49/57/1032984957.db2.gz BBOVLDQNVZZFPC-SNVBAGLBSA-N 1 2 354.432 2.504 20 5 FFBDLO O=C(COc1ccc([N+](=O)[O-])cc1)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000754493313 1023476544 /nfs/dbraw/zinc/47/65/44/1023476544.db2.gz QCTOJWVQCYEZRH-UHFFFAOYSA-N 1 2 353.334 2.903 20 5 FFBDLO Cn1c[nH+]cc1CCCOC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001123065871 1023617826 /nfs/dbraw/zinc/61/78/26/1023617826.db2.gz JMVRGHYFNQFJDP-UHFFFAOYSA-N 1 2 368.187 2.880 20 5 FFBDLO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](Cc2cccc3ccccc32)C1 ZINC000950055837 1023694694 /nfs/dbraw/zinc/69/46/94/1023694694.db2.gz OFGIICXPHCOZAZ-RTBURBONSA-N 1 2 353.422 2.538 20 5 FFBDLO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCc1c[nH+]c(C)cc1C ZINC000829464137 1033163806 /nfs/dbraw/zinc/16/38/06/1033163806.db2.gz WYEMSBHXPBMDLC-UHFFFAOYSA-N 1 2 360.326 2.914 20 5 FFBDLO CCC[C@H](C)NC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000838102634 1026209599 /nfs/dbraw/zinc/20/95/99/1026209599.db2.gz VQIIRJVOESHEET-STQMWFEESA-N 1 2 374.397 2.631 20 5 FFBDLO COc1cc(C(=O)N2CC[N@H+](C)Cc3ccccc32)c([N+](=O)[O-])cc1F ZINC000839272704 1026637791 /nfs/dbraw/zinc/63/77/91/1026637791.db2.gz JLJBRUVAAQWJQJ-UHFFFAOYSA-N 1 2 359.357 2.835 20 5 FFBDLO COc1cc(C(=O)N2CC[N@@H+](C)Cc3ccccc32)c([N+](=O)[O-])cc1F ZINC000839272704 1026637794 /nfs/dbraw/zinc/63/77/94/1026637794.db2.gz JLJBRUVAAQWJQJ-UHFFFAOYSA-N 1 2 359.357 2.835 20 5 FFBDLO CCCC[C@H]1NC(=O)N(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000840128054 1026969786 /nfs/dbraw/zinc/96/97/86/1026969786.db2.gz UQNCLLFPOKRIRS-DOTOQJQBSA-N 1 2 374.441 2.842 20 5 FFBDLO CCCC[C@H]1NC(=O)N(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000840128054 1026969792 /nfs/dbraw/zinc/96/97/92/1026969792.db2.gz UQNCLLFPOKRIRS-DOTOQJQBSA-N 1 2 374.441 2.842 20 5 FFBDLO CO[C@]1(C(F)(F)F)CCC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000780497543 1028714251 /nfs/dbraw/zinc/71/42/51/1028714251.db2.gz ZBPKCCZHRQNKND-CQSZACIVSA-N 1 2 373.335 2.649 20 5 FFBDLO CO[C@]1(C(F)(F)F)CCC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000780497543 1028714267 /nfs/dbraw/zinc/71/42/67/1028714267.db2.gz ZBPKCCZHRQNKND-CQSZACIVSA-N 1 2 373.335 2.649 20 5 FFBDLO Cc1cn2cc(NC(=O)[C@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)ccc2[nH+]1 ZINC000781640449 1029320936 /nfs/dbraw/zinc/32/09/36/1029320936.db2.gz FUNGBSPBDBWMSB-MRXNPFEDSA-N 1 2 365.349 2.683 20 5 FFBDLO Cc1ccnc(N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)c1[N+](=O)[O-] ZINC001165984203 1030189283 /nfs/dbraw/zinc/18/92/83/1030189283.db2.gz QYMFLTNZUGIUTR-UHFFFAOYSA-N 1 2 369.425 2.569 20 5 FFBDLO Cc1nn(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000797416983 1031103110 /nfs/dbraw/zinc/10/31/10/1031103110.db2.gz LRRUGANIOMQGFT-TYILLQQXSA-N 1 2 374.441 2.869 20 5 FFBDLO Cc1nn(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000797416983 1031103116 /nfs/dbraw/zinc/10/31/16/1031103116.db2.gz LRRUGANIOMQGFT-TYILLQQXSA-N 1 2 374.441 2.869 20 5 FFBDLO O=C(Nc1ccn2cc[nH+]c2c1)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC001535115898 1069731550 /nfs/dbraw/zinc/73/15/50/1069731550.db2.gz OHPMXCBPFBAMRC-UHFFFAOYSA-N 1 2 366.312 2.820 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC000799197684 1031693093 /nfs/dbraw/zinc/69/30/93/1031693093.db2.gz ZWDZRZNUHFCRLN-AWEZNQCLSA-N 1 2 370.409 2.817 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC000799197684 1031693107 /nfs/dbraw/zinc/69/31/07/1031693107.db2.gz ZWDZRZNUHFCRLN-AWEZNQCLSA-N 1 2 370.409 2.817 20 5 FFBDLO Cc1c(OS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000799763734 1031872010 /nfs/dbraw/zinc/87/20/10/1031872010.db2.gz ATLYTWYBZQMYJV-UHFFFAOYSA-N 1 2 373.390 2.916 20 5 FFBDLO O=[N+]([O-])c1cnc(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1Cl ZINC001226916115 1034882254 /nfs/dbraw/zinc/88/22/54/1034882254.db2.gz YXANMYABGWQHTO-CQSZACIVSA-N 1 2 363.801 2.923 20 5 FFBDLO O=[N+]([O-])c1cnc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1Cl ZINC001226916115 1034882265 /nfs/dbraw/zinc/88/22/65/1034882265.db2.gz YXANMYABGWQHTO-CQSZACIVSA-N 1 2 363.801 2.923 20 5 FFBDLO COc1cc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c([N+](=O)[O-])cc1F ZINC001535995842 1069910973 /nfs/dbraw/zinc/91/09/73/1069910973.db2.gz IIQFFIVLAFTUIR-UHFFFAOYSA-N 1 2 370.340 2.858 20 5 FFBDLO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232226755 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CC(=O)c1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c1 ZINC001569563912 1077152265 /nfs/dbraw/zinc/15/22/65/1077152265.db2.gz LUMNTHDLVAJBJS-UHFFFAOYSA-N 1 2 364.361 2.913 20 5 FFBDLO Cc1cc(NC(=O)c2nn(C)cc2[N+](=O)[O-])c[nH+]c1N1CCCC[C@H]1C ZINC000272437950 252037889 /nfs/dbraw/zinc/03/78/89/252037889.db2.gz AHFYNZJWSIYSGJ-GFCCVEGCSA-N 1 2 358.402 2.663 20 5 FFBDLO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000272469705 252045539 /nfs/dbraw/zinc/04/55/39/252045539.db2.gz SYGOVUUPTCELFC-JTQLQIEISA-N 1 2 366.324 2.939 20 5 FFBDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3c[nH]c4cc([N+](=O)[O-])ccc43)n2)C1 ZINC000272717922 252112551 /nfs/dbraw/zinc/11/25/51/252112551.db2.gz YVPPQAUJIJTUKI-OAHLLOKOSA-N 1 2 357.370 2.908 20 5 FFBDLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3c[nH]c4cc([N+](=O)[O-])ccc43)n2)C1 ZINC000272717922 252112556 /nfs/dbraw/zinc/11/25/56/252112556.db2.gz YVPPQAUJIJTUKI-OAHLLOKOSA-N 1 2 357.370 2.908 20 5 FFBDLO 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CCOc1cc(C[N@H+](CCS(C)(=O)=O)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000276936799 256144142 /nfs/dbraw/zinc/14/41/42/256144142.db2.gz RREMVYCLJMYBLH-UHFFFAOYSA-N 1 2 358.460 2.639 20 5 FFBDLO CCOc1cc(C[N@@H+](CCS(C)(=O)=O)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000276936799 256144144 /nfs/dbraw/zinc/14/41/44/256144144.db2.gz RREMVYCLJMYBLH-UHFFFAOYSA-N 1 2 358.460 2.639 20 5 FFBDLO COc1cc(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c([N+](=O)[O-])cc1F ZINC000277764113 256236450 /nfs/dbraw/zinc/23/64/50/256236450.db2.gz MKQGBSPNCVIMIR-LKFCYVNXSA-N 1 2 366.311 2.878 20 5 FFBDLO COc1cc(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c([N+](=O)[O-])cc1F ZINC000277764113 256236452 /nfs/dbraw/zinc/23/64/52/256236452.db2.gz MKQGBSPNCVIMIR-LKFCYVNXSA-N 1 2 366.311 2.878 20 5 FFBDLO Cc1ccc2[nH+]c(CNC(=O)N(C)CCc3cccc([N+](=O)[O-])c3)cn2c1 ZINC000283805582 256900496 /nfs/dbraw/zinc/90/04/96/256900496.db2.gz WLYGCBGLYJMHJD-UHFFFAOYSA-N 1 2 367.409 2.935 20 5 FFBDLO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC2 ZINC000286382770 257034161 /nfs/dbraw/zinc/03/41/61/257034161.db2.gz KLZYCUFMIUDYOW-CVEARBPZSA-N 1 2 356.369 2.625 20 5 FFBDLO CCn1c(C)nc([N+](=O)[O-])c1Nc1ccc([NH+]2CCC(C(N)=O)CC2)cc1 ZINC000288127720 257150084 /nfs/dbraw/zinc/15/00/84/257150084.db2.gz MEHPOIJAQKIIQG-UHFFFAOYSA-N 1 2 372.429 2.565 20 5 FFBDLO CCc1nnc(CN[C@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000290087587 257314936 /nfs/dbraw/zinc/31/49/36/257314936.db2.gz HEMGWASESMDVJR-HNNXBMFYSA-N 1 2 358.427 2.621 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)cc1C ZINC000295928419 257652837 /nfs/dbraw/zinc/65/28/37/257652837.db2.gz IGTBZHUUFCSDSR-AWEZNQCLSA-N 1 2 352.416 2.610 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1N1CC[NH+](CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000301155151 258030082 /nfs/dbraw/zinc/03/00/82/258030082.db2.gz FVCXUGJODQURPD-IYBDPMFKSA-N 1 2 374.485 2.530 20 5 FFBDLO Cc1ccc(CCNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])c[nH+]1 ZINC000301241984 258036112 /nfs/dbraw/zinc/03/61/12/258036112.db2.gz OQCFFAARMIUQDO-UHFFFAOYSA-N 1 2 365.393 2.917 20 5 FFBDLO C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000302151773 258091787 /nfs/dbraw/zinc/09/17/87/258091787.db2.gz HXIRQWBSDDLDNS-WDEREUQCSA-N 1 2 361.489 2.592 20 5 FFBDLO C[C@H](C[N@H+]1CCC[C@H](C)C1)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000302151773 258091789 /nfs/dbraw/zinc/09/17/89/258091789.db2.gz HXIRQWBSDDLDNS-WDEREUQCSA-N 1 2 361.489 2.592 20 5 FFBDLO Cc1cc(N2CC[NH+](CC(C)(C)O)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302719317 258108886 /nfs/dbraw/zinc/10/88/86/258108886.db2.gz ZHXGZVIYWDDSMA-UHFFFAOYSA-N 1 2 372.263 2.559 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1N1CC[NH+](Cc3ccc(Cl)nc3)CC1)CCN2 ZINC000302890726 258114378 /nfs/dbraw/zinc/11/43/78/258114378.db2.gz PKVWQBADOWQCKC-UHFFFAOYSA-N 1 2 373.844 2.933 20 5 FFBDLO COc1ccc([C@@H](CNc2ncc(C)cc2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000301459232 258050696 /nfs/dbraw/zinc/05/06/96/258050696.db2.gz TXNIMKDNGNAUAH-GOSISDBHSA-N 1 2 372.425 2.792 20 5 FFBDLO Cc1cc(N[C@H](C)CO[C@@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301571340 258056417 /nfs/dbraw/zinc/05/64/17/258056417.db2.gz OAUOUCPNVXITCC-CZUORRHYSA-N 1 2 358.398 2.966 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)c1 ZINC000301593477 258057746 /nfs/dbraw/zinc/05/77/46/258057746.db2.gz ZXPPYSJKEMAEFR-IAGOWNOFSA-N 1 2 374.485 2.530 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CCN(c3cc(NCC4CC4)[nH+]cn3)CC2)cc1 ZINC000301820187 258069201 /nfs/dbraw/zinc/06/92/01/258069201.db2.gz JHOSCFGSDSINPG-UHFFFAOYSA-N 1 2 354.414 2.533 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CCN(c3cc(NCC4CC4)nc[nH+]3)CC2)cc1 ZINC000301820187 258069202 /nfs/dbraw/zinc/06/92/02/258069202.db2.gz JHOSCFGSDSINPG-UHFFFAOYSA-N 1 2 354.414 2.533 20 5 FFBDLO Cc1cc(N[C@H]2CCCC[C@@H]2C(N)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301835586 258069943 /nfs/dbraw/zinc/06/99/43/258069943.db2.gz UNAOXZLZKHOJJF-GJZGRUSLSA-N 1 2 355.398 2.816 20 5 FFBDLO Cc1[nH+]c2ccccc2n1CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000301892376 258073155 /nfs/dbraw/zinc/07/31/55/258073155.db2.gz MKZVDRFPGBBLHU-UHFFFAOYSA-N 1 2 374.422 2.769 20 5 FFBDLO CCN1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000332442063 258230748 /nfs/dbraw/zinc/23/07/48/258230748.db2.gz RUOZBDQEHBMHRW-HNNXBMFYSA-N 1 2 358.402 2.537 20 5 FFBDLO CCC(=O)c1ccc(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000369085849 512220585 /nfs/dbraw/zinc/22/05/85/512220585.db2.gz SVJFLURLPJGCNY-QGZVFWFLSA-N 1 2 358.398 2.861 20 5 FFBDLO O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1 ZINC000053547609 506401851 /nfs/dbraw/zinc/40/18/51/506401851.db2.gz UZKLMUHLGVVQLA-UHFFFAOYSA-N 1 2 366.381 2.630 20 5 FFBDLO CCc1cc(NCCNc2cnccn2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000053558813 506405959 /nfs/dbraw/zinc/40/59/59/506405959.db2.gz SVUMQPXEJYHHHY-UHFFFAOYSA-N 1 2 365.397 2.928 20 5 FFBDLO CS(=O)(=O)c1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)c([N+](=O)[O-])c1 ZINC000066372292 506496766 /nfs/dbraw/zinc/49/67/66/506496766.db2.gz VUGHSNXGYMQPRZ-UHFFFAOYSA-N 1 2 372.406 2.796 20 5 FFBDLO CC(C)N(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CCOCC1 ZINC000410512255 512281426 /nfs/dbraw/zinc/28/14/26/512281426.db2.gz SZKQXGCQPMSLNK-UHFFFAOYSA-N 1 2 358.398 2.810 20 5 FFBDLO CNc1ccc(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cc1[N+](=O)[O-] ZINC000041789337 506549271 /nfs/dbraw/zinc/54/92/71/506549271.db2.gz PDDPZYJHDXWFCC-UHFFFAOYSA-N 1 2 359.773 2.868 20 5 FFBDLO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[NH+](Cc2ccco2)CC1 ZINC000017817660 507128303 /nfs/dbraw/zinc/12/83/03/507128303.db2.gz OBZHYTHJFXGKEU-UHFFFAOYSA-N 1 2 370.409 2.720 20 5 FFBDLO CN1CC[NH+](Cc2cccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000057273839 507224947 /nfs/dbraw/zinc/22/49/47/507224947.db2.gz LSKKKRUGQUPEOR-UHFFFAOYSA-N 1 2 368.437 2.523 20 5 FFBDLO CCc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)[NH+](C)C)cc1 ZINC000022684569 507303776 /nfs/dbraw/zinc/30/37/76/507303776.db2.gz HWGLXSGTEXBBEI-QGZVFWFLSA-N 1 2 357.410 2.896 20 5 FFBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000057756048 507322157 /nfs/dbraw/zinc/32/21/57/507322157.db2.gz YQWYWBGIJAZNNA-UHFFFAOYSA-N 1 2 356.304 2.555 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000023773943 507373570 /nfs/dbraw/zinc/37/35/70/507373570.db2.gz UMSGMFZGQAVVAI-SFHVURJKSA-N 1 2 350.378 2.777 20 5 FFBDLO C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047743948 507387742 /nfs/dbraw/zinc/38/77/42/507387742.db2.gz AZZKLBBOHDJORD-INIZCTEOSA-N 1 2 360.458 2.508 20 5 FFBDLO COCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccco1 ZINC000026448571 507589071 /nfs/dbraw/zinc/58/90/71/507589071.db2.gz WJSMCKNUIDCWQI-UHFFFAOYSA-N 1 2 367.789 2.928 20 5 FFBDLO COCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccco1 ZINC000026448571 507589076 /nfs/dbraw/zinc/58/90/76/507589076.db2.gz WJSMCKNUIDCWQI-UHFFFAOYSA-N 1 2 367.789 2.928 20 5 FFBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050580768 507695080 /nfs/dbraw/zinc/69/50/80/507695080.db2.gz QBQNTCULBPXPAI-NSHDSACASA-N 1 2 357.395 2.733 20 5 FFBDLO Cc1c(C[NH+]2CCN(CC(=O)Nc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000051180673 507747377 /nfs/dbraw/zinc/74/73/77/507747377.db2.gz YXVKZQBBQMZSDZ-UHFFFAOYSA-N 1 2 368.437 2.660 20 5 FFBDLO O=C(COc1cccc([N+](=O)[O-])c1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000028875170 507748021 /nfs/dbraw/zinc/74/80/21/507748021.db2.gz YHVUOTCIXAWKET-UHFFFAOYSA-N 1 2 366.377 2.535 20 5 FFBDLO O=[N+]([O-])c1c(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)nc2sccn21 ZINC000029525990 507781829 /nfs/dbraw/zinc/78/18/29/507781829.db2.gz HWGZMLGGZUJVRV-AWEZNQCLSA-N 1 2 373.438 2.789 20 5 FFBDLO COc1cc(C(=O)N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)ccc1C ZINC000052041659 507795100 /nfs/dbraw/zinc/79/51/00/507795100.db2.gz OMGUKOINMKHGLW-UHFFFAOYSA-N 1 2 369.421 2.870 20 5 FFBDLO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)Cc1ccccc1 ZINC000029919513 507795177 /nfs/dbraw/zinc/79/51/77/507795177.db2.gz BNDHEWPCKRKFFY-QGZVFWFLSA-N 1 2 371.437 2.983 20 5 FFBDLO Cc1c[nH+]ccc1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 ZINC000107285971 507842043 /nfs/dbraw/zinc/84/20/43/507842043.db2.gz WURYSGNTILOYBS-UHFFFAOYSA-N 1 2 370.394 2.830 20 5 FFBDLO O=C1[C@H]([N@@H+]2CCOC3(CCCCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000072717077 507846611 /nfs/dbraw/zinc/84/66/11/507846611.db2.gz BNPUMSSJYALSEW-QGZVFWFLSA-N 1 2 359.426 2.735 20 5 FFBDLO O=C1[C@H]([N@H+]2CCOC3(CCCCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000072717077 507846614 /nfs/dbraw/zinc/84/66/14/507846614.db2.gz BNPUMSSJYALSEW-QGZVFWFLSA-N 1 2 359.426 2.735 20 5 FFBDLO O=C(C[NH+]1CCC(C(F)(F)F)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000072802464 507855791 /nfs/dbraw/zinc/85/57/91/507855791.db2.gz SWKJIJJAPQUIPX-UHFFFAOYSA-N 1 2 357.332 2.758 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@](O)(C(F)(F)F)C3)co2)cc1 ZINC000089908595 507882038 /nfs/dbraw/zinc/88/20/38/507882038.db2.gz NTERLYBLCQSPEF-CQSZACIVSA-N 1 2 357.288 2.749 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@](O)(C(F)(F)F)C3)co2)cc1 ZINC000089908595 507882039 /nfs/dbraw/zinc/88/20/39/507882039.db2.gz NTERLYBLCQSPEF-CQSZACIVSA-N 1 2 357.288 2.749 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H]3[C@H](O)C(F)(F)F)n2)c1 ZINC000109758998 507984919 /nfs/dbraw/zinc/98/49/19/507984919.db2.gz JEVJYTCJQIPMQX-YPMHNXCESA-N 1 2 372.303 2.532 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H]3[C@H](O)C(F)(F)F)n2)c1 ZINC000109758998 507984921 /nfs/dbraw/zinc/98/49/21/507984921.db2.gz JEVJYTCJQIPMQX-YPMHNXCESA-N 1 2 372.303 2.532 20 5 FFBDLO COC(=O)C1([NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CCCCC1 ZINC000109800330 507988219 /nfs/dbraw/zinc/98/82/19/507988219.db2.gz COTJXUIYXVKOIT-UHFFFAOYSA-N 1 2 363.414 2.697 20 5 FFBDLO CCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000109805094 507988776 /nfs/dbraw/zinc/98/87/76/507988776.db2.gz NJWHGPMGJAEUNF-GXTWGEPZSA-N 1 2 373.413 2.696 20 5 FFBDLO CCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000109805094 507988779 /nfs/dbraw/zinc/98/87/79/507988779.db2.gz NJWHGPMGJAEUNF-GXTWGEPZSA-N 1 2 373.413 2.696 20 5 FFBDLO CC(C)(CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccncc1 ZINC000091858859 508019604 /nfs/dbraw/zinc/01/96/04/508019604.db2.gz XUPNYHQJVOJKSO-UHFFFAOYSA-N 1 2 365.393 2.883 20 5 FFBDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000074593633 508037000 /nfs/dbraw/zinc/03/70/00/508037000.db2.gz YEHHQJADSOEZJT-UHFFFAOYSA-N 1 2 366.377 2.898 20 5 FFBDLO COc1ccc(OC)c(C[NH+]2CCN(c3cc(C)c([N+](=O)[O-])cn3)CC2)c1 ZINC000074725650 508050194 /nfs/dbraw/zinc/05/01/94/508050194.db2.gz BGBOOLSHLYYRBC-UHFFFAOYSA-N 1 2 372.425 2.638 20 5 FFBDLO Cc1ccc(N2CC[NH+](Cc3cn4ccccc4n3)CC2)c([N+](=O)[O-])c1 ZINC000080540352 508082424 /nfs/dbraw/zinc/08/24/24/508082424.db2.gz FFZIMLOHXQQTMP-UHFFFAOYSA-N 1 2 351.410 2.873 20 5 FFBDLO Cc1cc([N+](=O)[O-])cnc1Nc1ccc([NH+]2CCC(C(N)=O)CC2)cc1 ZINC000092629961 508088589 /nfs/dbraw/zinc/08/85/89/508088589.db2.gz CIOLPVKTMKOWMW-UHFFFAOYSA-N 1 2 355.398 2.744 20 5 FFBDLO O=C(NC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1)C1CCCCC1 ZINC000092644611 508089396 /nfs/dbraw/zinc/08/93/96/508089396.db2.gz GKPCGJVCJSUFHH-UHFFFAOYSA-N 1 2 361.442 2.961 20 5 FFBDLO O=C(c1cccc(O)c1)N1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000092937608 508109330 /nfs/dbraw/zinc/10/93/30/508109330.db2.gz UPZLDCJXJUNRQC-QPJJXVBHSA-N 1 2 367.405 2.772 20 5 FFBDLO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000075589372 508120525 /nfs/dbraw/zinc/12/05/25/508120525.db2.gz CMHOEHROVGRUQN-IAGOWNOFSA-N 1 2 374.485 2.674 20 5 FFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000075589372 508120527 /nfs/dbraw/zinc/12/05/27/508120527.db2.gz CMHOEHROVGRUQN-IAGOWNOFSA-N 1 2 374.485 2.674 20 5 FFBDLO COC(=O)CCn1nc(C)c(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1C ZINC000093443726 508146208 /nfs/dbraw/zinc/14/62/08/508146208.db2.gz GZDKJBZWBXHUGM-UHFFFAOYSA-N 1 2 372.425 2.530 20 5 FFBDLO COC(=O)CCn1nc(C)c(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1C ZINC000093443726 508146212 /nfs/dbraw/zinc/14/62/12/508146212.db2.gz GZDKJBZWBXHUGM-UHFFFAOYSA-N 1 2 372.425 2.530 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](OCCC(C)C)C1 ZINC000083246889 508243354 /nfs/dbraw/zinc/24/33/54/508243354.db2.gz DAAZEHCSKCKYRE-OAHLLOKOSA-N 1 2 365.430 2.679 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](OCCC(C)C)C1 ZINC000083246889 508243357 /nfs/dbraw/zinc/24/33/57/508243357.db2.gz DAAZEHCSKCKYRE-OAHLLOKOSA-N 1 2 365.430 2.679 20 5 FFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](CCO)Cc1cccnc1 ZINC000157044331 508515026 /nfs/dbraw/zinc/51/50/26/508515026.db2.gz KHMFUEUIBFSGRA-CYBMUJFWSA-N 1 2 369.381 2.595 20 5 FFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](CCO)Cc1cccnc1 ZINC000157044331 508515030 /nfs/dbraw/zinc/51/50/30/508515030.db2.gz KHMFUEUIBFSGRA-CYBMUJFWSA-N 1 2 369.381 2.595 20 5 FFBDLO Cc1ncc(C[NH+]2CCN(c3ncc([N+](=O)[O-])cc3Cl)CC2)s1 ZINC000122830009 508593585 /nfs/dbraw/zinc/59/35/85/508593585.db2.gz BXMDISACJGESDY-UHFFFAOYSA-N 1 2 353.835 2.730 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@H]1CCCc2c1cnn2C ZINC000135606894 508631029 /nfs/dbraw/zinc/63/10/29/508631029.db2.gz WEUIMXUJOYKWEN-AWEZNQCLSA-N 1 2 357.414 2.585 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@H]1CCCc2c1cnn2C ZINC000135606894 508631031 /nfs/dbraw/zinc/63/10/31/508631031.db2.gz WEUIMXUJOYKWEN-AWEZNQCLSA-N 1 2 357.414 2.585 20 5 FFBDLO C[C@H]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H]1n1cc[nH+]c1 ZINC000128705442 508631793 /nfs/dbraw/zinc/63/17/93/508631793.db2.gz OXFROTKRRLMKLO-SCLBCKFNSA-N 1 2 367.409 2.925 20 5 FFBDLO COC(=O)c1cc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc([N+](=O)[O-])c1 ZINC000136146809 508674472 /nfs/dbraw/zinc/67/44/72/508674472.db2.gz MSIDWODMYVRCCY-UHFFFAOYSA-N 1 2 366.333 2.819 20 5 FFBDLO CCc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866578 508688933 /nfs/dbraw/zinc/68/89/33/508688933.db2.gz CIKZRRNGYMBEAP-OAHLLOKOSA-N 1 2 369.425 2.677 20 5 FFBDLO CCc1ccccc1NC(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866578 508688935 /nfs/dbraw/zinc/68/89/35/508688935.db2.gz CIKZRRNGYMBEAP-OAHLLOKOSA-N 1 2 369.425 2.677 20 5 FFBDLO Cc1cc(C)c(NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)c(C)[nH+]1 ZINC000129396303 508721610 /nfs/dbraw/zinc/72/16/10/508721610.db2.gz GIYZPJSKVVUTSP-UHFFFAOYSA-N 1 2 363.395 2.571 20 5 FFBDLO Cc1c(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000123685159 508725129 /nfs/dbraw/zinc/72/51/29/508725129.db2.gz CRYFWALEWOHFPD-MEDUHNTESA-N 1 2 373.369 2.731 20 5 FFBDLO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C[N@@H+]1Cc1ccccc1 ZINC000137882018 508766194 /nfs/dbraw/zinc/76/61/94/508766194.db2.gz GQRLLNBHDPFYAT-CZUORRHYSA-N 1 2 355.394 2.693 20 5 FFBDLO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C[N@H+]1Cc1ccccc1 ZINC000137882018 508766197 /nfs/dbraw/zinc/76/61/97/508766197.db2.gz GQRLLNBHDPFYAT-CZUORRHYSA-N 1 2 355.394 2.693 20 5 FFBDLO C[NH+](C)[C@@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1 ZINC000130797865 508848235 /nfs/dbraw/zinc/84/82/35/508848235.db2.gz PKZNPJBKEJPRSP-INIZCTEOSA-N 1 2 371.372 2.643 20 5 FFBDLO C[N@@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)sc2C1 ZINC000120058846 508918828 /nfs/dbraw/zinc/91/88/28/508918828.db2.gz OPZAOUNVNLZZAE-UHFFFAOYSA-N 1 2 352.803 2.945 20 5 FFBDLO C[N@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)sc2C1 ZINC000120058846 508918831 /nfs/dbraw/zinc/91/88/31/508918831.db2.gz OPZAOUNVNLZZAE-UHFFFAOYSA-N 1 2 352.803 2.945 20 5 FFBDLO Cc1ccccc1CC(=O)N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000155157291 508935864 /nfs/dbraw/zinc/93/58/64/508935864.db2.gz AZVQLYPLIZPCDD-UHFFFAOYSA-N 1 2 353.422 2.790 20 5 FFBDLO Cc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000131516530 508943669 /nfs/dbraw/zinc/94/36/69/508943669.db2.gz DZYWSCPEIYMQOS-OAHLLOKOSA-N 1 2 353.422 2.966 20 5 FFBDLO Cc1ccc(CNC(=O)[C@@H](C)[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000131516530 508943673 /nfs/dbraw/zinc/94/36/73/508943673.db2.gz DZYWSCPEIYMQOS-OAHLLOKOSA-N 1 2 353.422 2.966 20 5 FFBDLO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1nc2ccsc2c(=O)[nH]1 ZINC000131696816 508961311 /nfs/dbraw/zinc/96/13/11/508961311.db2.gz PGWKXMROWZKTFT-UHFFFAOYSA-N 1 2 374.422 2.794 20 5 FFBDLO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1nc2ccsc2c(=O)[nH]1 ZINC000131696816 508961313 /nfs/dbraw/zinc/96/13/13/508961313.db2.gz PGWKXMROWZKTFT-UHFFFAOYSA-N 1 2 374.422 2.794 20 5 FFBDLO O=C(c1ccc(F)cc1)N1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000125553514 508999187 /nfs/dbraw/zinc/99/91/87/508999187.db2.gz CKDRRUDTINUXOW-UHFFFAOYSA-N 1 2 373.384 2.571 20 5 FFBDLO Cc1cc(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)cc([N+](=O)[O-])c1 ZINC000155604228 509035839 /nfs/dbraw/zinc/03/58/39/509035839.db2.gz RDMKUSMEOAQLIA-UHFFFAOYSA-N 1 2 356.382 2.696 20 5 FFBDLO COC(=O)c1ccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1F ZINC000132940152 509094177 /nfs/dbraw/zinc/09/41/77/509094177.db2.gz MPIVYZXZAYBRMV-UHFFFAOYSA-N 1 2 373.384 2.843 20 5 FFBDLO CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000133082643 509113548 /nfs/dbraw/zinc/11/35/48/509113548.db2.gz DQXRNKNWOBQHLB-UHFFFAOYSA-N 1 2 368.393 2.862 20 5 FFBDLO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000133082643 509113549 /nfs/dbraw/zinc/11/35/49/509113549.db2.gz DQXRNKNWOBQHLB-UHFFFAOYSA-N 1 2 368.393 2.862 20 5 FFBDLO Cc1cc(NC[C@@H](O)COCC(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000126919224 509146870 /nfs/dbraw/zinc/14/68/70/509146870.db2.gz GAIMDQAJFOXCFP-MRXNPFEDSA-N 1 2 360.414 2.806 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(c2cccs2)CC1 ZINC000121449391 509174484 /nfs/dbraw/zinc/17/44/84/509174484.db2.gz TYEOVGQYSUWSDX-ZDUSSCGKSA-N 1 2 360.439 2.806 20 5 FFBDLO COCc1cc([N+](=O)[O-])ccc1N1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000266955701 509274856 /nfs/dbraw/zinc/27/48/56/509274856.db2.gz GMWPOQJNZQPQRW-UHFFFAOYSA-N 1 2 360.414 2.668 20 5 FFBDLO Cc1nc2n(n1)C[C@H](Nc1cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n1)CC2 ZINC000264094524 509327375 /nfs/dbraw/zinc/32/73/75/509327375.db2.gz OGGURRLUVJIBGQ-CQSZACIVSA-N 1 2 365.397 2.687 20 5 FFBDLO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000248456229 509329039 /nfs/dbraw/zinc/32/90/39/509329039.db2.gz LLINKHXHCPXZNH-SYNHAJSKSA-N 1 2 372.421 2.797 20 5 FFBDLO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000248456229 509329046 /nfs/dbraw/zinc/32/90/46/509329046.db2.gz LLINKHXHCPXZNH-SYNHAJSKSA-N 1 2 372.421 2.797 20 5 FFBDLO COc1cccc2c1CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C2 ZINC000182695139 509377890 /nfs/dbraw/zinc/37/78/90/509377890.db2.gz YKPQCRRSYGHSIE-UHFFFAOYSA-N 1 2 371.393 2.609 20 5 FFBDLO COc1cccc2c1CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C2 ZINC000182695139 509377896 /nfs/dbraw/zinc/37/78/96/509377896.db2.gz YKPQCRRSYGHSIE-UHFFFAOYSA-N 1 2 371.393 2.609 20 5 FFBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCc3c(Br)cccc3C2)n1 ZINC000176222444 509388308 /nfs/dbraw/zinc/38/83/08/509388308.db2.gz FDBHSJNWVZWNPQ-UHFFFAOYSA-N 1 2 351.204 2.612 20 5 FFBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCc3c(Br)cccc3C2)n1 ZINC000176222444 509388311 /nfs/dbraw/zinc/38/83/11/509388311.db2.gz FDBHSJNWVZWNPQ-UHFFFAOYSA-N 1 2 351.204 2.612 20 5 FFBDLO C[C@@H](c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2N)c1)[NH+]1CCOCC1 ZINC000267278399 509424456 /nfs/dbraw/zinc/42/44/56/509424456.db2.gz VHMCVGGRFHNIDP-ZDUSSCGKSA-N 1 2 370.409 2.823 20 5 FFBDLO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCc3[nH+]ccn3C)cc2[N+](=O)[O-])C1 ZINC000264361093 509481108 /nfs/dbraw/zinc/48/11/08/509481108.db2.gz YUFCHVVEAOCOTE-KBPBESRZSA-N 1 2 371.441 2.741 20 5 FFBDLO CCOC(=O)c1nn(C)cc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000186182867 509564088 /nfs/dbraw/zinc/56/40/88/509564088.db2.gz INFFKJCTLHFMNU-UHFFFAOYSA-N 1 2 358.398 2.670 20 5 FFBDLO CCOC(=O)c1nn(C)cc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000186182867 509564092 /nfs/dbraw/zinc/56/40/92/509564092.db2.gz INFFKJCTLHFMNU-UHFFFAOYSA-N 1 2 358.398 2.670 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000249306666 509655364 /nfs/dbraw/zinc/65/53/64/509655364.db2.gz JPPZCPDFSIKDHN-CJNGLKHVSA-N 1 2 371.393 2.694 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000249306666 509655371 /nfs/dbraw/zinc/65/53/71/509655371.db2.gz JPPZCPDFSIKDHN-CJNGLKHVSA-N 1 2 371.393 2.694 20 5 FFBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000267962642 509691026 /nfs/dbraw/zinc/69/10/26/509691026.db2.gz CZBXRKABFLATBD-UHFFFAOYSA-N 1 2 370.331 2.945 20 5 FFBDLO CN(CC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000173681505 509717273 /nfs/dbraw/zinc/71/72/73/509717273.db2.gz COFZWCARLDAGCK-UHFFFAOYSA-N 1 2 369.356 2.995 20 5 FFBDLO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000186567254 509775879 /nfs/dbraw/zinc/77/58/79/509775879.db2.gz HEHUBYATDBRYCC-UHFFFAOYSA-N 1 2 367.409 2.605 20 5 FFBDLO CC1CCN(c2ccc(CNC(=O)Nc3ccncc3[N+](=O)[O-])c[nH+]2)CC1 ZINC000183562571 509862707 /nfs/dbraw/zinc/86/27/07/509862707.db2.gz DHWZUGYGXIADOC-UHFFFAOYSA-N 1 2 370.413 2.943 20 5 FFBDLO C[C@H](c1cccnc1)[NH+]1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000265119732 509870797 /nfs/dbraw/zinc/87/07/97/509870797.db2.gz JSZDQJJFRZQFKK-GFCCVEGCSA-N 1 2 358.427 2.582 20 5 FFBDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)Nc1ccncc1[N+](=O)[O-] ZINC000183603255 509882710 /nfs/dbraw/zinc/88/27/10/509882710.db2.gz DTMJCCWGYQWXGG-UHFFFAOYSA-N 1 2 356.317 2.636 20 5 FFBDLO Cc1c(C[NH+]2CCN(C(=O)c3ccc(O)cc3)CC2)cccc1[N+](=O)[O-] ZINC000177182009 509923186 /nfs/dbraw/zinc/92/31/86/509923186.db2.gz ODRZFFBHYILIQE-UHFFFAOYSA-N 1 2 355.394 2.567 20 5 FFBDLO O=C(C[NH+]1CCC(Nc2ncc([N+](=O)[O-])s2)CC1)Nc1ccccc1 ZINC000190312166 510056569 /nfs/dbraw/zinc/05/65/69/510056569.db2.gz FMUDWYORVLXPAA-UHFFFAOYSA-N 1 2 361.427 2.566 20 5 FFBDLO CS(=O)(=O)Nc1cccc2c1CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000193792560 510073027 /nfs/dbraw/zinc/07/30/27/510073027.db2.gz GKMQUBLPFPARSO-UHFFFAOYSA-N 1 2 361.423 2.525 20 5 FFBDLO CS(=O)(=O)Nc1cccc2c1CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000193792560 510073034 /nfs/dbraw/zinc/07/30/34/510073034.db2.gz GKMQUBLPFPARSO-UHFFFAOYSA-N 1 2 361.423 2.525 20 5 FFBDLO CS(=O)(=O)Nc1cccc2c1CC[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000193797207 510076371 /nfs/dbraw/zinc/07/63/71/510076371.db2.gz DPIHFOFFYXJXOI-UHFFFAOYSA-N 1 2 361.423 2.525 20 5 FFBDLO CS(=O)(=O)Nc1cccc2c1CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000193797207 510076377 /nfs/dbraw/zinc/07/63/77/510076377.db2.gz DPIHFOFFYXJXOI-UHFFFAOYSA-N 1 2 361.423 2.525 20 5 FFBDLO CCc1cc(N2CC[S@](=O)[C@@H](C)[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000265571352 510120648 /nfs/dbraw/zinc/12/06/48/510120648.db2.gz DXOUHOHMVIYQKD-VXLFJPSPSA-N 1 2 374.466 2.960 20 5 FFBDLO C[C@@](O)(CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000190521063 510182610 /nfs/dbraw/zinc/18/26/10/510182610.db2.gz PCAXSGOKLJEBDJ-LJQANCHMSA-N 1 2 372.425 2.842 20 5 FFBDLO CCCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OCC)[C@@H]1CCS(=O)(=O)C1 ZINC000177675657 510194173 /nfs/dbraw/zinc/19/41/73/510194173.db2.gz SHICKIVFADDJNJ-MRXNPFEDSA-N 1 2 370.471 2.783 20 5 FFBDLO CCCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OCC)[C@@H]1CCS(=O)(=O)C1 ZINC000177675657 510194179 /nfs/dbraw/zinc/19/41/79/510194179.db2.gz SHICKIVFADDJNJ-MRXNPFEDSA-N 1 2 370.471 2.783 20 5 FFBDLO CC(C)(NC(=O)NCc1ccn2cc[nH+]c2c1)c1ccc([N+](=O)[O-])cc1 ZINC000177761570 510237964 /nfs/dbraw/zinc/23/79/64/510237964.db2.gz OLOVIBULNDKYLG-UHFFFAOYSA-N 1 2 353.382 2.977 20 5 FFBDLO C[C@H]1CO[C@H](c2ccccc2Cl)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174857937 510347587 /nfs/dbraw/zinc/34/75/87/510347587.db2.gz OCNDYRLUJIDULW-LRDDRELGSA-N 1 2 350.806 2.907 20 5 FFBDLO C[C@H]1CO[C@H](c2ccccc2Cl)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174857937 510347599 /nfs/dbraw/zinc/34/75/99/510347599.db2.gz OCNDYRLUJIDULW-LRDDRELGSA-N 1 2 350.806 2.907 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CCN(c3cccc[nH+]3)CC2)cc1OC(F)F ZINC000266083258 510398990 /nfs/dbraw/zinc/39/89/90/510398990.db2.gz BVGSOIIMVXSOPU-UHFFFAOYSA-N 1 2 350.325 2.918 20 5 FFBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1ccn2cc[nH+]c2c1 ZINC000178060894 510409174 /nfs/dbraw/zinc/40/91/74/510409174.db2.gz TVPSVXPROAZLLD-UHFFFAOYSA-N 1 2 353.382 2.751 20 5 FFBDLO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000194738572 510503487 /nfs/dbraw/zinc/50/34/87/510503487.db2.gz VRPNUBNQLRDVRF-HNNXBMFYSA-N 1 2 355.394 2.552 20 5 FFBDLO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000194738572 510503495 /nfs/dbraw/zinc/50/34/95/510503495.db2.gz VRPNUBNQLRDVRF-HNNXBMFYSA-N 1 2 355.394 2.552 20 5 FFBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000178442868 510607026 /nfs/dbraw/zinc/60/70/26/510607026.db2.gz NIVODIIVGFCTCJ-UHFFFAOYSA-N 1 2 357.385 2.621 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000178446889 510608107 /nfs/dbraw/zinc/60/81/07/510608107.db2.gz IZTAYOKGDQGKRP-UHFFFAOYSA-N 1 2 361.348 2.831 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000191349203 510615855 /nfs/dbraw/zinc/61/58/55/510615855.db2.gz OGZMLWSBQKKVMD-UHFFFAOYSA-N 1 2 370.413 2.664 20 5 FFBDLO O=C(Cc1cn2ccccc2[nH+]1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000172414951 510716137 /nfs/dbraw/zinc/71/61/37/510716137.db2.gz VDQFCVYQZMJFJO-UHFFFAOYSA-N 1 2 352.394 2.924 20 5 FFBDLO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1cccc(F)c1 ZINC000182172952 510795216 /nfs/dbraw/zinc/79/52/16/510795216.db2.gz JZZYWHDNWZOZNZ-UHFFFAOYSA-N 1 2 352.387 2.640 20 5 FFBDLO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1cccc(F)c1 ZINC000182172952 510795225 /nfs/dbraw/zinc/79/52/25/510795225.db2.gz JZZYWHDNWZOZNZ-UHFFFAOYSA-N 1 2 352.387 2.640 20 5 FFBDLO O=[N+]([O-])c1cc(F)c(C[NH2+][C@]2(CO)CCOc3ccccc32)c(F)c1 ZINC000285369233 510880175 /nfs/dbraw/zinc/88/01/75/510880175.db2.gz RCEXBYGIKMMWLE-KRWDZBQOSA-N 1 2 350.321 2.633 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000364615006 510972688 /nfs/dbraw/zinc/97/26/88/510972688.db2.gz UBPLKJZOFJDAGL-GFCCVEGCSA-N 1 2 360.389 2.761 20 5 FFBDLO O=[N+]([O-])c1cc(Br)cnc1N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000361256512 511021240 /nfs/dbraw/zinc/02/12/40/511021240.db2.gz BYIPXKGXXQBSJD-UHFFFAOYSA-N 1 2 352.192 2.859 20 5 FFBDLO O=[N+]([O-])c1cc(Br)cnc1N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000361256512 511021242 /nfs/dbraw/zinc/02/12/42/511021242.db2.gz BYIPXKGXXQBSJD-UHFFFAOYSA-N 1 2 352.192 2.859 20 5 FFBDLO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000271283003 511147869 /nfs/dbraw/zinc/14/78/69/511147869.db2.gz CITUQXNNJPXVMK-NSHDSACASA-N 1 2 358.383 2.690 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000298210420 511209705 /nfs/dbraw/zinc/20/97/05/511209705.db2.gz DKTVKVFNGRPVAT-JJMVLAAESA-N 1 2 369.368 2.908 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000298210420 511209709 /nfs/dbraw/zinc/20/97/09/511209709.db2.gz DKTVKVFNGRPVAT-JJMVLAAESA-N 1 2 369.368 2.908 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2noc(CN3CC[NH+](Cc4ccco4)CC3)n2)c1 ZINC000298272327 511231375 /nfs/dbraw/zinc/23/13/75/511231375.db2.gz HPBFPOJXCBMWSV-UHFFFAOYSA-N 1 2 369.381 2.556 20 5 FFBDLO CN(C)c1ccc(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000298293046 511238224 /nfs/dbraw/zinc/23/82/24/511238224.db2.gz MCOUXMAEYZUDSR-UHFFFAOYSA-N 1 2 357.414 2.564 20 5 FFBDLO COc1cc(C[N@@H+]2C[C@H](C)OC3(CCOCC3)C2)c([N+](=O)[O-])cc1F ZINC000279947955 511277613 /nfs/dbraw/zinc/27/76/13/511277613.db2.gz XNVSTPJUBIAVBN-LBPRGKRZSA-N 1 2 354.378 2.512 20 5 FFBDLO COc1cc(C[N@H+]2C[C@H](C)OC3(CCOCC3)C2)c([N+](=O)[O-])cc1F ZINC000279947955 511277619 /nfs/dbraw/zinc/27/76/19/511277619.db2.gz XNVSTPJUBIAVBN-LBPRGKRZSA-N 1 2 354.378 2.512 20 5 FFBDLO C[C@@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1[N+](=O)[O-] ZINC000271708613 511295823 /nfs/dbraw/zinc/29/58/23/511295823.db2.gz OZVFWCOMWPCWPN-CQSZACIVSA-N 1 2 355.398 2.583 20 5 FFBDLO Cc1cc(CNC(=O)c2cccc(O)c2[N+](=O)[O-])cc(N2CCCC2)[nH+]1 ZINC000291932736 511396141 /nfs/dbraw/zinc/39/61/41/511396141.db2.gz OPAXSRYDECTJNS-UHFFFAOYSA-N 1 2 356.382 2.534 20 5 FFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291996773 511423823 /nfs/dbraw/zinc/42/38/23/511423823.db2.gz XDIARVPKBGOZKR-PWSUYJOCSA-N 1 2 368.340 2.655 20 5 FFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291996773 511423826 /nfs/dbraw/zinc/42/38/26/511423826.db2.gz XDIARVPKBGOZKR-PWSUYJOCSA-N 1 2 368.340 2.655 20 5 FFBDLO C[C@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000272080309 511424593 /nfs/dbraw/zinc/42/45/93/511424593.db2.gz HBEJOJRYHWZNLQ-HNNXBMFYSA-N 1 2 369.421 2.918 20 5 FFBDLO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC(n2cc[nH+]c2)CC1 ZINC000280362183 511437135 /nfs/dbraw/zinc/43/71/35/511437135.db2.gz BVVAYQYQRUCENQ-UHFFFAOYSA-N 1 2 366.780 2.990 20 5 FFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000280385178 511446118 /nfs/dbraw/zinc/44/61/18/511446118.db2.gz KCNTWOWNIJNGAF-VBHSOAQHSA-N 1 2 374.397 2.586 20 5 FFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000280385178 511446123 /nfs/dbraw/zinc/44/61/23/511446123.db2.gz KCNTWOWNIJNGAF-VBHSOAQHSA-N 1 2 374.397 2.586 20 5 FFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000280582552 511519423 /nfs/dbraw/zinc/51/94/23/511519423.db2.gz SWXIESIBEHWVBB-SNUQEOBHSA-N 1 2 374.397 2.586 20 5 FFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000280582552 511519428 /nfs/dbraw/zinc/51/94/28/511519428.db2.gz SWXIESIBEHWVBB-SNUQEOBHSA-N 1 2 374.397 2.586 20 5 FFBDLO Cc1cc(F)c(NC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000283905930 511540934 /nfs/dbraw/zinc/54/09/34/511540934.db2.gz JNOGXWAXJJKEEQ-UHFFFAOYSA-N 1 2 359.361 2.791 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000296031174 511595743 /nfs/dbraw/zinc/59/57/43/511595743.db2.gz XURIXCLMYQFXIN-QGZVFWFLSA-N 1 2 370.409 2.901 20 5 FFBDLO CSc1ccc(-c2nc([C@@H]3C[N@@H+](C4CC4)CCO3)no2)cc1[N+](=O)[O-] ZINC000273763686 511600738 /nfs/dbraw/zinc/60/07/38/511600738.db2.gz DDBGNFXUNMPARM-ZDUSSCGKSA-N 1 2 362.411 2.902 20 5 FFBDLO CSc1ccc(-c2nc([C@@H]3C[N@H+](C4CC4)CCO3)no2)cc1[N+](=O)[O-] ZINC000273763686 511600743 /nfs/dbraw/zinc/60/07/43/511600743.db2.gz DDBGNFXUNMPARM-ZDUSSCGKSA-N 1 2 362.411 2.902 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000296134439 511631379 /nfs/dbraw/zinc/63/13/79/511631379.db2.gz JCTIJSBECCHOLR-CQSZACIVSA-N 1 2 359.386 2.952 20 5 FFBDLO COc1cccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)c1[N+](=O)[O-] ZINC000350183142 511738449 /nfs/dbraw/zinc/73/84/49/511738449.db2.gz PONVTRYYCJSUIW-SMDDNHRTSA-N 1 2 360.370 2.579 20 5 FFBDLO COc1cccc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)c1[N+](=O)[O-] ZINC000350183142 511738455 /nfs/dbraw/zinc/73/84/55/511738455.db2.gz PONVTRYYCJSUIW-SMDDNHRTSA-N 1 2 360.370 2.579 20 5 FFBDLO Cc1ccnc(C2CC[NH+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000363800988 511776174 /nfs/dbraw/zinc/77/61/74/511776174.db2.gz RRIFMCGLNVKYEO-CQSZACIVSA-N 1 2 369.425 2.900 20 5 FFBDLO COC[C@@]1(C)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000296551565 511793747 /nfs/dbraw/zinc/79/37/47/511793747.db2.gz BXLOWMBWIIODFL-ZBEGNZNMSA-N 1 2 355.822 2.934 20 5 FFBDLO COC[C@@]1(C)CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000296551565 511793750 /nfs/dbraw/zinc/79/37/50/511793750.db2.gz BXLOWMBWIIODFL-ZBEGNZNMSA-N 1 2 355.822 2.934 20 5 FFBDLO Cn1cc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c(C(F)F)n1 ZINC000274524941 511863872 /nfs/dbraw/zinc/86/38/72/511863872.db2.gz ZNXZDXFXHXOVBK-UHFFFAOYSA-N 1 2 351.357 2.588 20 5 FFBDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293165660 511866258 /nfs/dbraw/zinc/86/62/58/511866258.db2.gz RRKWWTHNNDBYFD-ZJUUUORDSA-N 1 2 368.377 2.867 20 5 FFBDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293165660 511866260 /nfs/dbraw/zinc/86/62/60/511866260.db2.gz RRKWWTHNNDBYFD-ZJUUUORDSA-N 1 2 368.377 2.867 20 5 FFBDLO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000363958798 511874816 /nfs/dbraw/zinc/87/48/16/511874816.db2.gz DGWZCPFXWYSLHG-NSHDSACASA-N 1 2 370.818 2.806 20 5 FFBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411332295 512584046 /nfs/dbraw/zinc/58/40/46/512584046.db2.gz VIQHTPLYRSQWKD-DLBZAZTESA-N 1 2 354.410 2.590 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000374015600 512623312 /nfs/dbraw/zinc/62/33/12/512623312.db2.gz WKYRENLYPYJTFW-SUNYJGFJSA-N 1 2 350.415 2.762 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000374015600 512623316 /nfs/dbraw/zinc/62/33/16/512623316.db2.gz WKYRENLYPYJTFW-SUNYJGFJSA-N 1 2 350.415 2.762 20 5 FFBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])CCC2 ZINC000367761610 512651551 /nfs/dbraw/zinc/65/15/51/512651551.db2.gz SOWQAVXETKFGQK-INIZCTEOSA-N 1 2 371.441 2.861 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H]2[C@@H](C(F)(F)F)[C@H]21 ZINC000369969093 512704220 /nfs/dbraw/zinc/70/42/20/512704220.db2.gz HLNOCIDFRASEMC-GDLCADMTSA-N 1 2 366.299 2.803 20 5 FFBDLO COc1cc(CNc2ccc(-n3cc[nH+]c3C)nc2)cc([N+](=O)[O-])c1O ZINC000376546832 512866065 /nfs/dbraw/zinc/86/60/65/512866065.db2.gz FNXKRTITPHGKAZ-UHFFFAOYSA-N 1 2 355.354 2.810 20 5 FFBDLO CNc1c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000387592188 512892105 /nfs/dbraw/zinc/89/21/05/512892105.db2.gz MNABKTGEQOIKFH-UHFFFAOYSA-N 1 2 354.410 2.595 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000372487884 512900850 /nfs/dbraw/zinc/90/08/50/512900850.db2.gz UTPUFIMEXZERDI-MCIONIFRSA-N 1 2 364.446 2.803 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000372487884 512900853 /nfs/dbraw/zinc/90/08/53/512900853.db2.gz UTPUFIMEXZERDI-MCIONIFRSA-N 1 2 364.446 2.803 20 5 FFBDLO CO[C@@H]1[C@@H](C)[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1(C)C ZINC000450423619 513189203 /nfs/dbraw/zinc/18/92/03/513189203.db2.gz XRAXBBPTEMQNKL-IUIKQTSFSA-N 1 2 358.398 2.570 20 5 FFBDLO CCC(=O)[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450493115 513218904 /nfs/dbraw/zinc/21/89/04/513218904.db2.gz ZSDFVEBOATULPV-HNNXBMFYSA-N 1 2 356.382 2.754 20 5 FFBDLO C[C@@H]1C[C@H](CCNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCO1 ZINC000450560117 513252545 /nfs/dbraw/zinc/25/25/45/513252545.db2.gz SNVZLZADYQCVRE-ZIAGYGMSSA-N 1 2 358.398 2.716 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCc1cnc(C2CC2)o1 ZINC000450904697 513395320 /nfs/dbraw/zinc/39/53/20/513395320.db2.gz CGIRHQKXBZASHY-UHFFFAOYSA-N 1 2 358.398 2.905 20 5 FFBDLO Cc1cccc2c1C[N@H+](CC(=O)Nc1cc3c(cc1[N+](=O)[O-])OCO3)CC2 ZINC000429584098 513416977 /nfs/dbraw/zinc/41/69/77/513416977.db2.gz CZWCEEYXZVGHHW-UHFFFAOYSA-N 1 2 369.377 2.629 20 5 FFBDLO Cc1cccc2c1C[N@@H+](CC(=O)Nc1cc3c(cc1[N+](=O)[O-])OCO3)CC2 ZINC000429584098 513416980 /nfs/dbraw/zinc/41/69/80/513416980.db2.gz CZWCEEYXZVGHHW-UHFFFAOYSA-N 1 2 369.377 2.629 20 5 FFBDLO CCNC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000425368737 513531000 /nfs/dbraw/zinc/53/10/00/513531000.db2.gz XRGBVLSJANHTKU-LJQANCHMSA-N 1 2 353.422 2.966 20 5 FFBDLO CCNC(=O)[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000425368737 513531005 /nfs/dbraw/zinc/53/10/05/513531005.db2.gz XRGBVLSJANHTKU-LJQANCHMSA-N 1 2 353.422 2.966 20 5 FFBDLO CN(C)c1cccc(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])n1 ZINC000447813558 513578556 /nfs/dbraw/zinc/57/85/56/513578556.db2.gz WRFNHJDHAMROJI-UHFFFAOYSA-N 1 2 371.441 2.500 20 5 FFBDLO CC1(C)C(=O)N[C@@H]1C1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413301175 513579617 /nfs/dbraw/zinc/57/96/17/513579617.db2.gz RDFNKPAXHLTIGC-MRXNPFEDSA-N 1 2 354.410 2.884 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1CN(CC[NH+]1CCOCC1)c1ccccc1 ZINC000430198425 513587052 /nfs/dbraw/zinc/58/70/52/513587052.db2.gz YGSAEJYIOIDQRM-UHFFFAOYSA-N 1 2 371.437 2.942 20 5 FFBDLO COc1cccc2c1cc[nH+]c2N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000413322519 513591490 /nfs/dbraw/zinc/59/14/90/513591490.db2.gz CCWGHAASOWDYOV-UHFFFAOYSA-N 1 2 365.393 2.873 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451264701 513636641 /nfs/dbraw/zinc/63/66/41/513636641.db2.gz NEXAWADECYMDFW-PKOBYXMFSA-N 1 2 360.385 2.903 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451264701 513636645 /nfs/dbraw/zinc/63/66/45/513636645.db2.gz NEXAWADECYMDFW-PKOBYXMFSA-N 1 2 360.385 2.903 20 5 FFBDLO Cc1n[nH]c(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1[N+](=O)[O-] ZINC000442181231 513680665 /nfs/dbraw/zinc/68/06/65/513680665.db2.gz LAYLSNKKLOKTAB-OAHLLOKOSA-N 1 2 368.397 2.611 20 5 FFBDLO O=C(NCCCn1cc[nH+]c1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435835669 513695280 /nfs/dbraw/zinc/69/52/80/513695280.db2.gz NVQQXWMSKHIYDD-UHFFFAOYSA-N 1 2 364.380 2.837 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CCSC[C@H]2C2CCC2)c([N+](=O)[O-])c1 ZINC000419363540 513788368 /nfs/dbraw/zinc/78/83/68/513788368.db2.gz CYIUEZGGWKKTOV-INIZCTEOSA-N 1 2 365.455 2.759 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CCSC[C@H]2C2CCC2)c([N+](=O)[O-])c1 ZINC000419363540 513788376 /nfs/dbraw/zinc/78/83/76/513788376.db2.gz CYIUEZGGWKKTOV-INIZCTEOSA-N 1 2 365.455 2.759 20 5 FFBDLO O=[N+]([O-])c1cc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)cs1 ZINC000436256113 513809382 /nfs/dbraw/zinc/80/93/82/513809382.db2.gz XYFABAFQCFNGBU-SJORKVTESA-N 1 2 359.451 2.742 20 5 FFBDLO O=[N+]([O-])c1cc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)cs1 ZINC000436256113 513809385 /nfs/dbraw/zinc/80/93/85/513809385.db2.gz XYFABAFQCFNGBU-SJORKVTESA-N 1 2 359.451 2.742 20 5 FFBDLO CCO[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000451552139 513828566 /nfs/dbraw/zinc/82/85/66/513828566.db2.gz YFWCMGPZTAODCY-XHDPSFHLSA-N 1 2 355.822 2.934 20 5 FFBDLO CCO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000451552139 513828572 /nfs/dbraw/zinc/82/85/72/513828572.db2.gz YFWCMGPZTAODCY-XHDPSFHLSA-N 1 2 355.822 2.934 20 5 FFBDLO COc1cc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])cc1F ZINC000448705885 513855388 /nfs/dbraw/zinc/85/53/88/513855388.db2.gz WDCQDWHAJPAHGI-UHFFFAOYSA-N 1 2 374.372 2.536 20 5 FFBDLO NC(=O)CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCOc2ccccc21 ZINC000451716051 513934432 /nfs/dbraw/zinc/93/44/32/513934432.db2.gz RJIACDNTGKOZHK-INIZCTEOSA-N 1 2 373.384 2.935 20 5 FFBDLO NC(=O)CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCOc2ccccc21 ZINC000451716051 513934439 /nfs/dbraw/zinc/93/44/39/513934439.db2.gz RJIACDNTGKOZHK-INIZCTEOSA-N 1 2 373.384 2.935 20 5 FFBDLO O=C(NC1CC(C(F)(F)F)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451771581 513970557 /nfs/dbraw/zinc/97/05/57/513970557.db2.gz HLDDPDHKQJNBDI-UHFFFAOYSA-N 1 2 354.288 2.851 20 5 FFBDLO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C[N@@H+]1Cc1ccccc1 ZINC000436888760 514022267 /nfs/dbraw/zinc/02/22/67/514022267.db2.gz UBBPYDPWEDQYKG-HIFRSBDPSA-N 1 2 355.394 2.693 20 5 FFBDLO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C[N@H+]1Cc1ccccc1 ZINC000436888760 514022271 /nfs/dbraw/zinc/02/22/71/514022271.db2.gz UBBPYDPWEDQYKG-HIFRSBDPSA-N 1 2 355.394 2.693 20 5 FFBDLO CC(C)[C@]1(CO)CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000452156661 514221769 /nfs/dbraw/zinc/22/17/69/514221769.db2.gz LXNAKGNCZVRUHT-LJQANCHMSA-N 1 2 372.425 2.651 20 5 FFBDLO O=C(C[N@@H+]1CC[C@H]1Cc1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000437840313 514249248 /nfs/dbraw/zinc/24/92/48/514249248.db2.gz WGVXXIVIYZYGQJ-AWEZNQCLSA-N 1 2 369.377 2.579 20 5 FFBDLO O=C(C[N@H+]1CC[C@H]1Cc1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000437840313 514249252 /nfs/dbraw/zinc/24/92/52/514249252.db2.gz WGVXXIVIYZYGQJ-AWEZNQCLSA-N 1 2 369.377 2.579 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1(C)C ZINC000452454486 514363921 /nfs/dbraw/zinc/36/39/21/514363921.db2.gz UOVFMTVJWCJRDF-KRWDZBQOSA-N 1 2 367.409 2.962 20 5 FFBDLO CC(C)CC[C@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449961251 514443841 /nfs/dbraw/zinc/44/38/41/514443841.db2.gz UPARNNUOHWHBSL-SFHVURJKSA-N 1 2 360.414 2.698 20 5 FFBDLO Cc1ccc(NCCCNC(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)c([N+](=O)[O-])c1 ZINC000455468680 514541166 /nfs/dbraw/zinc/54/11/66/514541166.db2.gz IVTCTUWFCAOKNY-DZGCQCFKSA-N 1 2 372.429 2.907 20 5 FFBDLO Cc1cc(C[NH+]2CCN(c3nccc4c3cccc4[N+](=O)[O-])CC2)no1 ZINC000450228102 514553253 /nfs/dbraw/zinc/55/32/53/514553253.db2.gz SWOWWNPXQCNKKR-UHFFFAOYSA-N 1 2 353.382 2.762 20 5 FFBDLO CC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1[nH]cc[nH+]1 ZINC000470701539 514580034 /nfs/dbraw/zinc/58/00/34/514580034.db2.gz OXUNWQBDZCHYOM-GFCCVEGCSA-N 1 2 367.203 2.890 20 5 FFBDLO CC(C)(C)CN1CCC[C@H]([NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1=O ZINC000461401591 514595983 /nfs/dbraw/zinc/59/59/83/514595983.db2.gz LVCWSAYATGPMDZ-SFHVURJKSA-N 1 2 374.485 2.754 20 5 FFBDLO Cc1cc(N2CCN(Cc3[nH]cc[nH+]3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461936487 514795186 /nfs/dbraw/zinc/79/51/86/514795186.db2.gz RKRHUJKXJMTBLH-UHFFFAOYSA-N 1 2 369.347 2.967 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3c(F)ccc(O)c3F)C2)nc1 ZINC000508679104 514863696 /nfs/dbraw/zinc/86/36/96/514863696.db2.gz LMHJDSYXDZVLNK-JTQLQIEISA-N 1 2 350.325 2.660 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3c(F)ccc(O)c3F)C2)nc1 ZINC000508679104 514863706 /nfs/dbraw/zinc/86/37/06/514863706.db2.gz LMHJDSYXDZVLNK-JTQLQIEISA-N 1 2 350.325 2.660 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000498939277 515132274 /nfs/dbraw/zinc/13/22/74/515132274.db2.gz GQDGLZOKSIZLIV-CYBMUJFWSA-N 1 2 371.397 2.592 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000498939277 515132281 /nfs/dbraw/zinc/13/22/81/515132281.db2.gz GQDGLZOKSIZLIV-CYBMUJFWSA-N 1 2 371.397 2.592 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000498939278 515132893 /nfs/dbraw/zinc/13/28/93/515132893.db2.gz GQDGLZOKSIZLIV-ZDUSSCGKSA-N 1 2 371.397 2.592 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000498939278 515132903 /nfs/dbraw/zinc/13/29/03/515132903.db2.gz GQDGLZOKSIZLIV-ZDUSSCGKSA-N 1 2 371.397 2.592 20 5 FFBDLO CNc1c(C(=O)NCCn2c(C)[nH+]c3ccccc32)cccc1[N+](=O)[O-] ZINC000462778245 515237842 /nfs/dbraw/zinc/23/78/42/515237842.db2.gz OLGZXMWJDZREJX-UHFFFAOYSA-N 1 2 353.382 2.725 20 5 FFBDLO CO[C@H]1C[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C12CCC2 ZINC000456614611 515287622 /nfs/dbraw/zinc/28/76/22/515287622.db2.gz GMMCFHQCNRDOAQ-SJORKVTESA-N 1 2 370.409 2.810 20 5 FFBDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCCNc2ccccc2[N+](=O)[O-])c1 ZINC000509811981 515333509 /nfs/dbraw/zinc/33/35/09/515333509.db2.gz SDWRRULNOGJPBT-UHFFFAOYSA-N 1 2 365.393 2.931 20 5 FFBDLO Cc1c(CNC(=O)c2cccc(C[NH+]3CCOCC3)c2)cccc1[N+](=O)[O-] ZINC000481467442 515337233 /nfs/dbraw/zinc/33/72/33/515337233.db2.gz SJFPBUZGQPLCIS-UHFFFAOYSA-N 1 2 369.421 2.665 20 5 FFBDLO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000499605637 515386321 /nfs/dbraw/zinc/38/63/21/515386321.db2.gz RPBJIKKBVVMTKZ-YVMONPNESA-N 1 2 366.421 2.648 20 5 FFBDLO C[C@H](NC(=O)NCc1[nH+]ccn1CC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000454463955 515509192 /nfs/dbraw/zinc/50/91/92/515509192.db2.gz FJDLJMPQJOTZLE-JTQLQIEISA-N 1 2 371.319 2.914 20 5 FFBDLO CCc1ccc([C@H]2CN(C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])CC[NH2+]2)cc1 ZINC000505572322 515589477 /nfs/dbraw/zinc/58/94/77/515589477.db2.gz JADKNMMEMBBTOF-OAHLLOKOSA-N 1 2 371.441 2.790 20 5 FFBDLO COC[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000457042563 515604092 /nfs/dbraw/zinc/60/40/92/515604092.db2.gz NNJUNFYOQAHWBJ-AWEZNQCLSA-N 1 2 358.398 2.669 20 5 FFBDLO O=[N+]([O-])c1ccc(CS(=O)(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)cc1 ZINC000463854596 515642833 /nfs/dbraw/zinc/64/28/33/515642833.db2.gz KSCJTAPIGIWXTN-UHFFFAOYSA-N 1 2 372.406 2.605 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494230076 515776008 /nfs/dbraw/zinc/77/60/08/515776008.db2.gz HMOPMMYQKJSCNU-NSHDSACASA-N 1 2 357.357 2.909 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494230076 515776016 /nfs/dbraw/zinc/77/60/16/515776016.db2.gz HMOPMMYQKJSCNU-NSHDSACASA-N 1 2 357.357 2.909 20 5 FFBDLO COc1cc(C[NH2+][C@@H](C)c2ccn(C)n2)c([N+](=O)[O-])cc1OCC(F)F ZINC000459802135 515817179 /nfs/dbraw/zinc/81/71/79/515817179.db2.gz YJZWIMXTLFLQIH-JTQLQIEISA-N 1 2 370.356 2.832 20 5 FFBDLO COC(=O)COc1ccc(C[NH2+][C@@H](C)c2ncc(C)s2)cc1[N+](=O)[O-] ZINC000474339729 516000289 /nfs/dbraw/zinc/00/02/89/516000289.db2.gz CDVYWKHIRZOFGO-NSHDSACASA-N 1 2 365.411 2.762 20 5 FFBDLO COc1c(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cccc1[N+](=O)[O-] ZINC000474414426 516036052 /nfs/dbraw/zinc/03/60/52/516036052.db2.gz QSPWPIMBNXSYPL-UHFFFAOYSA-N 1 2 356.382 2.529 20 5 FFBDLO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cc[nH+]cc3O)cc2[N+](=O)[O-])C1 ZINC000512008559 516114518 /nfs/dbraw/zinc/11/45/18/516114518.db2.gz LOKNOAIPVBVHQA-STQMWFEESA-N 1 2 370.409 2.852 20 5 FFBDLO COc1c(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)cccc1[N+](=O)[O-] ZINC000474895053 516227776 /nfs/dbraw/zinc/22/77/76/516227776.db2.gz FTIBHBLTIOWSRA-UHFFFAOYSA-N 1 2 370.409 2.919 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000550789605 516423149 /nfs/dbraw/zinc/42/31/49/516423149.db2.gz QIEYVRHKFLWBQU-UHFFFAOYSA-N 1 2 366.377 2.778 20 5 FFBDLO CC[C@H](C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H](CC)C1 ZINC000561348632 516534526 /nfs/dbraw/zinc/53/45/26/516534526.db2.gz PPFOOAHKCSELMI-GOEBONIOSA-N 1 2 363.458 2.836 20 5 FFBDLO CC[C@H](C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H](CC)C1 ZINC000561348632 516534535 /nfs/dbraw/zinc/53/45/35/516534535.db2.gz PPFOOAHKCSELMI-GOEBONIOSA-N 1 2 363.458 2.836 20 5 FFBDLO CC[C@H](C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](CC)C1 ZINC000561348631 516534614 /nfs/dbraw/zinc/53/46/14/516534614.db2.gz PPFOOAHKCSELMI-GDBMZVCRSA-N 1 2 363.458 2.836 20 5 FFBDLO CC[C@H](C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H](CC)C1 ZINC000561348631 516534624 /nfs/dbraw/zinc/53/46/24/516534624.db2.gz PPFOOAHKCSELMI-GDBMZVCRSA-N 1 2 363.458 2.836 20 5 FFBDLO COc1cc(CCNc2cc(C)[nH+]c(C(C)C)n2)c([N+](=O)[O-])cc1OC ZINC000531604412 516551045 /nfs/dbraw/zinc/55/10/45/516551045.db2.gz UZWGYYPQIPNXST-UHFFFAOYSA-N 1 2 360.414 2.910 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccnn1C ZINC000518246972 516590163 /nfs/dbraw/zinc/59/01/63/516590163.db2.gz WPGJAQBKZNOZSS-HOCLYGCPSA-N 1 2 361.421 2.686 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccnn1C ZINC000518246972 516590170 /nfs/dbraw/zinc/59/01/70/516590170.db2.gz WPGJAQBKZNOZSS-HOCLYGCPSA-N 1 2 361.421 2.686 20 5 FFBDLO COc1ccc(CNC(=O)NCc2cn3ccc(C)cc3[nH+]2)cc1[N+](=O)[O-] ZINC000518350724 516624380 /nfs/dbraw/zinc/62/43/80/516624380.db2.gz CHRDHCDRJBKRSR-UHFFFAOYSA-N 1 2 369.381 2.559 20 5 FFBDLO CC1CC[NH+](Cc2csc(NC(=O)c3ccc([N+](=O)[O-])cn3)n2)CC1 ZINC000531890680 516695165 /nfs/dbraw/zinc/69/51/65/516695165.db2.gz YQCQEBRZDHLXDC-UHFFFAOYSA-N 1 2 361.427 2.931 20 5 FFBDLO O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000531919987 516716111 /nfs/dbraw/zinc/71/61/11/516716111.db2.gz XKHZOKVKOANYPX-HZPDHXFCSA-N 1 2 367.833 2.621 20 5 FFBDLO COc1ccc2c(c1)CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000536345483 516729990 /nfs/dbraw/zinc/72/99/90/516729990.db2.gz JVXDBNFZFVDWKI-UHFFFAOYSA-N 1 2 355.394 2.643 20 5 FFBDLO COc1ccc2c(c1)CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000536345483 516730002 /nfs/dbraw/zinc/73/00/02/516730002.db2.gz JVXDBNFZFVDWKI-UHFFFAOYSA-N 1 2 355.394 2.643 20 5 FFBDLO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000514220260 516909912 /nfs/dbraw/zinc/90/99/12/516909912.db2.gz ZCDQPCQKQINPBD-UHFFFAOYSA-N 1 2 366.324 2.870 20 5 FFBDLO COc1ccc(C[N@@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000555590707 516998738 /nfs/dbraw/zinc/99/87/38/516998738.db2.gz BCYCUQIBXDTVDQ-GOSISDBHSA-N 1 2 369.421 2.537 20 5 FFBDLO COc1ccc(C[N@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000555590707 516998749 /nfs/dbraw/zinc/99/87/49/516998749.db2.gz BCYCUQIBXDTVDQ-GOSISDBHSA-N 1 2 369.421 2.537 20 5 FFBDLO COc1cccc(C(=O)Nc2ccc3[nH]c(N(C)C)[nH+]c3c2)c1[N+](=O)[O-] ZINC000559050063 517057114 /nfs/dbraw/zinc/05/71/14/517057114.db2.gz JFNWVQNLHABVOO-UHFFFAOYSA-N 1 2 355.354 2.798 20 5 FFBDLO Cc1c(Cl)cc(S(=O)(=O)NCCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000537174361 517069064 /nfs/dbraw/zinc/06/90/64/517069064.db2.gz HJOJHVZQAIAHDG-UHFFFAOYSA-N 1 2 372.834 2.512 20 5 FFBDLO Cc1c(C[N@@H+](C)[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cnn1C ZINC000562503046 517147417 /nfs/dbraw/zinc/14/74/17/517147417.db2.gz WWESKFRIBMRQGP-LBPRGKRZSA-N 1 2 356.386 2.880 20 5 FFBDLO Cc1c(C[N@H+](C)[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cnn1C ZINC000562503046 517147427 /nfs/dbraw/zinc/14/74/27/517147427.db2.gz WWESKFRIBMRQGP-LBPRGKRZSA-N 1 2 356.386 2.880 20 5 FFBDLO CC1(C)C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@H]1[C@@H]1CCCO1 ZINC000514973986 517150992 /nfs/dbraw/zinc/15/09/92/517150992.db2.gz AFSDZQZXWAIWRU-IKGGRYGDSA-N 1 2 359.426 2.590 20 5 FFBDLO CC1(C)C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@H]1[C@@H]1CCCO1 ZINC000514973986 517150997 /nfs/dbraw/zinc/15/09/97/517150997.db2.gz AFSDZQZXWAIWRU-IKGGRYGDSA-N 1 2 359.426 2.590 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+][C@H](CO)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000552281602 517176976 /nfs/dbraw/zinc/17/69/76/517176976.db2.gz DGXRNXNLLDTHIE-PKOBYXMFSA-N 1 2 366.421 2.611 20 5 FFBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000537732035 517314583 /nfs/dbraw/zinc/31/45/83/517314583.db2.gz HBDRHSCQDAYJHT-UHFFFAOYSA-N 1 2 354.366 2.880 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCc2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000552975992 517461522 /nfs/dbraw/zinc/46/15/22/517461522.db2.gz AHQKHQHHCYQVOJ-UHFFFAOYSA-N 1 2 367.365 2.633 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(OC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000533475586 517482207 /nfs/dbraw/zinc/48/22/07/517482207.db2.gz YDENNABZJCAACC-CYBMUJFWSA-N 1 2 365.430 2.820 20 5 FFBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549708885 517666050 /nfs/dbraw/zinc/66/60/50/517666050.db2.gz GKYNFAORANJAMT-DOMZBBRYSA-N 1 2 373.375 2.909 20 5 FFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)c1 ZINC000556900321 517736045 /nfs/dbraw/zinc/73/60/45/517736045.db2.gz FBAJPHUNCDGHAD-OAHLLOKOSA-N 1 2 372.368 2.966 20 5 FFBDLO COc1cc(C[NH2+][C@H](CO)c2ccccc2OC)c([N+](=O)[O-])cc1F ZINC000546629226 517764277 /nfs/dbraw/zinc/76/42/77/517764277.db2.gz KZSSXWZVLMNHIJ-CQSZACIVSA-N 1 2 350.346 2.574 20 5 FFBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542889288 517801340 /nfs/dbraw/zinc/80/13/40/517801340.db2.gz LGGRGORUMMLBQM-UHFFFAOYSA-N 1 2 362.292 2.774 20 5 FFBDLO COC(=O)C[C@](C)([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000549998027 517818479 /nfs/dbraw/zinc/81/84/79/517818479.db2.gz UWOKWDVRFYCVSG-IBGZPJMESA-N 1 2 374.393 2.877 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000534442653 517897690 /nfs/dbraw/zinc/89/76/90/517897690.db2.gz ZCVZRXGOBWKUPP-SNVBAGLBSA-N 1 2 368.315 2.977 20 5 FFBDLO Cc1cc[nH+]cc1N1CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000539721645 518149526 /nfs/dbraw/zinc/14/95/26/518149526.db2.gz OOQQGMVSPIMKMQ-HNNXBMFYSA-N 1 2 369.425 2.891 20 5 FFBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCc3c(cccc3[N+](=O)[O-])C1)CCC2 ZINC000535251462 518170445 /nfs/dbraw/zinc/17/04/45/518170445.db2.gz HYMZRSJWSZCEGW-AWEZNQCLSA-N 1 2 369.425 2.745 20 5 FFBDLO C[C@H]1CCC[C@H](C)[NH+]1CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000539860644 518172757 /nfs/dbraw/zinc/17/27/57/518172757.db2.gz OQHOEYUPUFTOHL-QWRGUYRKSA-N 1 2 361.489 2.735 20 5 FFBDLO CC(C)n1ccc(CN[C@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)n1 ZINC000581385576 518260072 /nfs/dbraw/zinc/26/00/72/518260072.db2.gz FENLXTHVTGBYLE-KRWDZBQOSA-N 1 2 354.414 2.985 20 5 FFBDLO CCc1[nH+]c2ccccc2n1Cc1noc(-c2nn(CC)cc2[N+](=O)[O-])n1 ZINC000564275507 518376084 /nfs/dbraw/zinc/37/60/84/518376084.db2.gz USGUHIYVDHHVRW-UHFFFAOYSA-N 1 2 367.369 2.822 20 5 FFBDLO C[C@@](O)(C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)C(F)(F)F ZINC000572944150 518431012 /nfs/dbraw/zinc/43/10/12/518431012.db2.gz IMFGSLYCCPQJFT-OAHLLOKOSA-N 1 2 372.347 2.996 20 5 FFBDLO Cc1cncc(N(Cc2[nH]cc[nH+]2)C(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000579146505 518543239 /nfs/dbraw/zinc/54/32/39/518543239.db2.gz ACLREJFNHDLKIY-UHFFFAOYSA-N 1 2 351.366 2.797 20 5 FFBDLO CN(C)c1[nH+]cccc1N(C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000567513107 518564170 /nfs/dbraw/zinc/56/41/70/518564170.db2.gz XRBMVIOHJHOEGS-UHFFFAOYSA-N 1 2 350.325 2.540 20 5 FFBDLO Cn1nc(C2CC2)nc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000582662896 518863244 /nfs/dbraw/zinc/86/32/44/518863244.db2.gz NDZOITVAIXOBDA-UHFFFAOYSA-N 1 2 357.414 2.644 20 5 FFBDLO CC(C)[C@@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1[nH]cc[nH+]1 ZINC000579810611 518865030 /nfs/dbraw/zinc/86/50/30/518865030.db2.gz YSUSQQMWDQQWES-OAHLLOKOSA-N 1 2 354.370 2.631 20 5 FFBDLO C[N@H+](Cc1cn[nH]c1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589256492 518965209 /nfs/dbraw/zinc/96/52/09/518965209.db2.gz SKOGDMIVSXAOBO-UHFFFAOYSA-N 1 2 372.166 2.555 20 5 FFBDLO C[N@@H+](Cc1cn[nH]c1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589256492 518965214 /nfs/dbraw/zinc/96/52/14/518965214.db2.gz SKOGDMIVSXAOBO-UHFFFAOYSA-N 1 2 372.166 2.555 20 5 FFBDLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000580079340 518998642 /nfs/dbraw/zinc/99/86/42/518998642.db2.gz YTYAFDBCHNQRIF-JKSUJKDBSA-N 1 2 354.410 2.760 20 5 FFBDLO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCc2[nH]c[nH+]c2C1 ZINC000590378598 519210887 /nfs/dbraw/zinc/21/08/87/519210887.db2.gz KETZRYPRAIUSCA-UHFFFAOYSA-N 1 2 355.379 2.640 20 5 FFBDLO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCc2[nH+]c[nH]c2C1 ZINC000590378598 519210892 /nfs/dbraw/zinc/21/08/92/519210892.db2.gz KETZRYPRAIUSCA-UHFFFAOYSA-N 1 2 355.379 2.640 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1N(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1(C)C ZINC000590655150 519303663 /nfs/dbraw/zinc/30/36/63/519303663.db2.gz RPJHDQOZSIORQK-INIZCTEOSA-N 1 2 358.398 2.683 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC([C@@H]2CCOC2)CC1 ZINC000590703827 519325225 /nfs/dbraw/zinc/32/52/25/519325225.db2.gz DLUVPCRMRKREGY-MRXNPFEDSA-N 1 2 370.409 2.669 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000581051799 519495913 /nfs/dbraw/zinc/49/59/13/519495913.db2.gz HCTHDLIWAVMVCE-QFBILLFUSA-N 1 2 361.442 2.797 20 5 FFBDLO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000602894201 519957644 /nfs/dbraw/zinc/95/76/44/519957644.db2.gz WIJPWAVOHLDQTK-UHFFFAOYSA-N 1 2 368.319 2.818 20 5 FFBDLO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000602894201 519957652 /nfs/dbraw/zinc/95/76/52/519957652.db2.gz WIJPWAVOHLDQTK-UHFFFAOYSA-N 1 2 368.319 2.818 20 5 FFBDLO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000602894201 519957661 /nfs/dbraw/zinc/95/76/61/519957661.db2.gz WIJPWAVOHLDQTK-UHFFFAOYSA-N 1 2 368.319 2.818 20 5 FFBDLO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000602894201 519957669 /nfs/dbraw/zinc/95/76/69/519957669.db2.gz WIJPWAVOHLDQTK-UHFFFAOYSA-N 1 2 368.319 2.818 20 5 FFBDLO CCOc1ccc(NC(=O)C[NH+]2CCC(SC)CC2)c([N+](=O)[O-])c1 ZINC000602920827 519971787 /nfs/dbraw/zinc/97/17/87/519971787.db2.gz RDQCQBUUBWHWGT-UHFFFAOYSA-N 1 2 353.444 2.759 20 5 FFBDLO CCOc1cc(N2CCN(Cc3[nH]c(C)c(C)[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000600155555 520088642 /nfs/dbraw/zinc/08/86/42/520088642.db2.gz HCEUEPCVGROSRR-UHFFFAOYSA-N 1 2 359.430 2.656 20 5 FFBDLO CC(C)c1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000597845094 520274584 /nfs/dbraw/zinc/27/45/84/520274584.db2.gz FOCRXGMXWRTURL-INIZCTEOSA-N 1 2 374.441 2.941 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](NCc1c(C2CC2)cnn1C)c1cccc([N+](=O)[O-])c1 ZINC000595079763 520283882 /nfs/dbraw/zinc/28/38/82/520283882.db2.gz YLZOXNZNSCPKQV-SFHVURJKSA-N 1 2 366.425 2.818 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(N2CCN(Cc3cn4ccccc4[nH+]3)CC2)c1 ZINC000609495230 520333269 /nfs/dbraw/zinc/33/32/69/520333269.db2.gz XJXFAOZEWKIHEW-UHFFFAOYSA-N 1 2 367.409 2.573 20 5 FFBDLO COc1c(C(=O)NCc2ccc[nH+]c2N2CCCC2)cccc1[N+](=O)[O-] ZINC000597943603 520342783 /nfs/dbraw/zinc/34/27/83/520342783.db2.gz NMKWRIGLXSAAJN-UHFFFAOYSA-N 1 2 356.382 2.529 20 5 FFBDLO CCOc1ccc(C[NH+]2CCN(Cc3onc(C)c3[N+](=O)[O-])CC2)cc1 ZINC000595288800 520387243 /nfs/dbraw/zinc/38/72/43/520387243.db2.gz OQDXQVILUIEACL-UHFFFAOYSA-N 1 2 360.414 2.608 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cc[nH+]c(C)c2Cl)c1 ZINC000613267705 520418741 /nfs/dbraw/zinc/41/87/41/520418741.db2.gz ZDXRSIGBDPZNDS-UHFFFAOYSA-N 1 2 355.803 2.791 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3[nH+]ccn3c2)c2ncccc12 ZINC000613343947 520457483 /nfs/dbraw/zinc/45/74/83/520457483.db2.gz ADTWNIXDIAGVDH-UHFFFAOYSA-N 1 2 369.362 2.592 20 5 FFBDLO Cc1noc(C[NH+]2CCC(Oc3cncc(Cl)c3)CC2)c1[N+](=O)[O-] ZINC000595496605 520508375 /nfs/dbraw/zinc/50/83/75/520508375.db2.gz DLHLIHQEDPTWMP-UHFFFAOYSA-N 1 2 352.778 2.983 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccc2[nH+]ccn2c1 ZINC000610032500 520513291 /nfs/dbraw/zinc/51/32/91/520513291.db2.gz ITHFGHQNUJNBIK-UHFFFAOYSA-N 1 2 352.759 2.697 20 5 FFBDLO CO[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCCC1 ZINC000598395860 520595718 /nfs/dbraw/zinc/59/57/18/520595718.db2.gz VECOHUFCPZVCRU-QGZVFWFLSA-N 1 2 358.398 2.716 20 5 FFBDLO O=[N+]([O-])c1cc(F)cnc1N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000601163227 520666554 /nfs/dbraw/zinc/66/65/54/520666554.db2.gz FONDRSJVHVRBMC-AWEZNQCLSA-N 1 2 373.388 2.782 20 5 FFBDLO C[C@@H]1[C@@H](c2cccc(Cl)c2)OCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000595767029 520709084 /nfs/dbraw/zinc/70/90/84/520709084.db2.gz LLOLUYMGKZMZGS-WBMJQRKESA-N 1 2 350.806 2.907 20 5 FFBDLO C[C@@H]1[C@@H](c2cccc(Cl)c2)OCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000595767029 520709087 /nfs/dbraw/zinc/70/90/87/520709087.db2.gz LLOLUYMGKZMZGS-WBMJQRKESA-N 1 2 350.806 2.907 20 5 FFBDLO C[C@@H](NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)c1[nH+]ccn1C ZINC000595844234 520761636 /nfs/dbraw/zinc/76/16/36/520761636.db2.gz CHYQJGVFFWVEGW-HIFRSBDPSA-N 1 2 357.414 2.979 20 5 FFBDLO CC[C@@H]1CO[C@@H](CC)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000593257446 520863948 /nfs/dbraw/zinc/86/39/48/520863948.db2.gz ZDASNIYLKWYKOC-CABCVRRESA-N 1 2 358.398 2.810 20 5 FFBDLO CC(C)c1n[nH]c(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000610917231 520904448 /nfs/dbraw/zinc/90/44/48/520904448.db2.gz LGNRVOJXWLXKQX-CQSZACIVSA-N 1 2 357.414 2.570 20 5 FFBDLO CC(C)c1n[nH]c(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000610917231 520904454 /nfs/dbraw/zinc/90/44/54/520904454.db2.gz LGNRVOJXWLXKQX-CQSZACIVSA-N 1 2 357.414 2.570 20 5 FFBDLO CC(C)c1[nH]nc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000610917231 520904458 /nfs/dbraw/zinc/90/44/58/520904458.db2.gz LGNRVOJXWLXKQX-CQSZACIVSA-N 1 2 357.414 2.570 20 5 FFBDLO CC(C)c1[nH]nc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000610917231 520904464 /nfs/dbraw/zinc/90/44/64/520904464.db2.gz LGNRVOJXWLXKQX-CQSZACIVSA-N 1 2 357.414 2.570 20 5 FFBDLO CCc1[nH+]c2cc(CNc3ccc(N)c([N+](=O)[O-])n3)ccc2n1C1CC1 ZINC000596225759 520981700 /nfs/dbraw/zinc/98/17/00/520981700.db2.gz GYQRTSFTZYOWLT-UHFFFAOYSA-N 1 2 352.398 2.853 20 5 FFBDLO CCc1nsc(N2CCN(c3ccc4c[nH+]ccc4c3[N+](=O)[O-])CC2)n1 ZINC000599051646 521001450 /nfs/dbraw/zinc/00/14/50/521001450.db2.gz KGDKRGKJSLBVQV-UHFFFAOYSA-N 1 2 370.438 2.884 20 5 FFBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000611148183 521008758 /nfs/dbraw/zinc/00/87/58/521008758.db2.gz PEKCMLQIPBKHIP-OAHLLOKOSA-N 1 2 353.382 2.679 20 5 FFBDLO Cn1nc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c2ccccc21 ZINC000611261586 521064695 /nfs/dbraw/zinc/06/46/95/521064695.db2.gz PORPGCTYDITAEM-UHFFFAOYSA-N 1 2 351.410 2.804 20 5 FFBDLO O=[N+]([O-])c1cc2c(cc1C[NH+]1CCN(c3cccs3)CC1)OCCO2 ZINC000611274261 521072861 /nfs/dbraw/zinc/07/28/61/521072861.db2.gz ZCFZHJHVHUPVNK-UHFFFAOYSA-N 1 2 361.423 2.750 20 5 FFBDLO Cc1ccncc1[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000611300728 521087959 /nfs/dbraw/zinc/08/79/59/521087959.db2.gz WSDGZSQXMDAUST-ZDUSSCGKSA-N 1 2 351.366 2.975 20 5 FFBDLO O=[N+]([O-])c1ccsc1N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000611411335 521142038 /nfs/dbraw/zinc/14/20/38/521142038.db2.gz HACJKYVGKUYLKM-UHFFFAOYSA-N 1 2 361.423 2.750 20 5 FFBDLO CCc1ccc(C(=O)N2CC[NH+](CCc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000602196736 521203693 /nfs/dbraw/zinc/20/36/93/521203693.db2.gz AZGMMJAIHNDBEI-UHFFFAOYSA-N 1 2 368.437 2.553 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(N2CCOCC2)CC1 ZINC000599474807 521245527 /nfs/dbraw/zinc/24/55/27/521245527.db2.gz VOHKQQKWKFMGRO-UHFFFAOYSA-N 1 2 363.458 2.679 20 5 FFBDLO COCCC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000599506725 521266429 /nfs/dbraw/zinc/26/64/29/521266429.db2.gz GOEIXOHEXASMMG-UHFFFAOYSA-N 1 2 355.822 2.935 20 5 FFBDLO Cn1c[nH+]c(CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 ZINC000618903953 521288533 /nfs/dbraw/zinc/28/85/33/521288533.db2.gz VYPDJQQOMNYZML-UHFFFAOYSA-N 1 2 369.347 2.669 20 5 FFBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH+]1CCN(c2ncccn2)CC1 ZINC000602429635 521338838 /nfs/dbraw/zinc/33/88/38/521338838.db2.gz QLTMEPJHRNSIGX-UHFFFAOYSA-N 1 2 367.331 2.726 20 5 FFBDLO COC(=O)[C@@](C)(NCc1[nH+]cc(C)c(OC)c1C)c1cccc([N+](=O)[O-])c1 ZINC000599643266 521355104 /nfs/dbraw/zinc/35/51/04/521355104.db2.gz MLGANLOVSWDQOF-IBGZPJMESA-N 1 2 373.409 2.793 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCc2c(O)cccc2C1 ZINC000599647563 521359183 /nfs/dbraw/zinc/35/91/83/521359183.db2.gz QNRWUVMTBGSGNA-GFCCVEGCSA-N 1 2 371.393 2.694 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCc2c(O)cccc2C1 ZINC000599647563 521359188 /nfs/dbraw/zinc/35/91/88/521359188.db2.gz QNRWUVMTBGSGNA-GFCCVEGCSA-N 1 2 371.393 2.694 20 5 FFBDLO Cn1cc(C[NH2+][C@](C)(CO)c2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])n1 ZINC000602839801 521563623 /nfs/dbraw/zinc/56/36/23/521563623.db2.gz LUMLZDOMDHPBGQ-CQSZACIVSA-N 1 2 359.213 2.632 20 5 FFBDLO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000619778333 521866675 /nfs/dbraw/zinc/86/66/75/521866675.db2.gz SZTVUFVKUYXLQN-MRXNPFEDSA-N 1 2 361.785 2.741 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)c1ccc(F)cc1 ZINC000502399361 561617822 /nfs/dbraw/zinc/61/78/22/561617822.db2.gz USMKSEORFVYWDQ-INIZCTEOSA-N 1 2 367.344 2.712 20 5 FFBDLO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1Nc1ccc(NC2CCCC2)[nH+]c1 ZINC000823624556 606707312 /nfs/dbraw/zinc/70/73/12/606707312.db2.gz CLKHOGLQNBPNSR-UHFFFAOYSA-N 1 2 367.373 2.663 20 5 FFBDLO O=[N+]([O-])c1cccc2c1CCN(c1c(-c3nn[nH]n3)c[nH+]c3ccccc31)C2 ZINC000826500256 607937935 /nfs/dbraw/zinc/93/79/35/607937935.db2.gz QGKQVPKTKWINMV-UHFFFAOYSA-N 1 2 373.376 2.886 20 5 FFBDLO O=[N+]([O-])c1cc(C[NH+]2CCN(c3cccs3)CC2)c2c(c1)COCO2 ZINC000121380528 728625929 /nfs/dbraw/zinc/62/59/29/728625929.db2.gz CBLIFMIBCZIGSQ-UHFFFAOYSA-N 1 2 361.423 2.845 20 5 FFBDLO C[C@](CO)([NH2+]Cc1cccnc1Br)c1cccc([N+](=O)[O-])c1 ZINC000865702195 730987373 /nfs/dbraw/zinc/98/73/73/730987373.db2.gz AWSZAAFLOJAAQO-OAHLLOKOSA-N 1 2 366.215 2.750 20 5 FFBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cccnc3Br)CC2)n1 ZINC000877483490 732370941 /nfs/dbraw/zinc/37/09/41/732370941.db2.gz MXPWCQNYUPSKTD-UHFFFAOYSA-N 1 2 366.219 2.786 20 5 FFBDLO CSc1ccc(C(=O)NCc2nc(C[NH+](C)C)cs2)cc1[N+](=O)[O-] ZINC000927774859 738782088 /nfs/dbraw/zinc/78/20/88/738782088.db2.gz WDYHZFFFSRVDIY-UHFFFAOYSA-N 1 2 366.468 2.765 20 5 FFBDLO C[C@@H](OC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000741146546 735119778 /nfs/dbraw/zinc/11/97/78/735119778.db2.gz LZGWVQDGXZJOMZ-YGRLFVJLSA-N 1 2 369.805 2.603 20 5 FFBDLO C[C@@H](OC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000741146546 735119782 /nfs/dbraw/zinc/11/97/82/735119782.db2.gz LZGWVQDGXZJOMZ-YGRLFVJLSA-N 1 2 369.805 2.603 20 5 FFBDLO COC[C@@H](OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000752535523 735993184 /nfs/dbraw/zinc/99/31/84/735993184.db2.gz BEZKCLZELBSWKS-GFCCVEGCSA-N 1 2 359.260 2.515 20 5 FFBDLO C[C@H]1C[NH+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C[C@H](C)S1 ZINC000752791493 736012820 /nfs/dbraw/zinc/01/28/20/736012820.db2.gz HDEZVQDJCQTPEN-STQMWFEESA-N 1 2 350.444 2.620 20 5 FFBDLO O=C1N(C[NH+]2CCC(C(F)F)CC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000752795832 736013344 /nfs/dbraw/zinc/01/33/44/736013344.db2.gz GKVZPIQYPSFGPS-UHFFFAOYSA-N 1 2 354.357 2.771 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000774903214 738038733 /nfs/dbraw/zinc/03/87/33/738038733.db2.gz JDMYONFFRSBSFD-CYBMUJFWSA-N 1 2 363.292 2.638 20 5 FFBDLO CCNC(=O)[C@@H]([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])C(C)C ZINC000930568890 739130126 /nfs/dbraw/zinc/13/01/26/739130126.db2.gz NFWIAWQKYZTFBU-ZDUSSCGKSA-N 1 2 358.236 2.608 20 5 FFBDLO C[C@H](CNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000933297990 739600684 /nfs/dbraw/zinc/60/06/84/739600684.db2.gz WSXNHSYBKWCJOZ-GFCCVEGCSA-N 1 2 350.806 2.830 20 5 FFBDLO Cc1nn(C[N@H+]2C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000817369551 742131556 /nfs/dbraw/zinc/13/15/56/742131556.db2.gz CFGNHSOPPZWFSB-SMDDNHRTSA-N 1 2 352.435 2.665 20 5 FFBDLO Cc1nn(C[N@@H+]2C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000817369551 742131560 /nfs/dbraw/zinc/13/15/60/742131560.db2.gz CFGNHSOPPZWFSB-SMDDNHRTSA-N 1 2 352.435 2.665 20 5 FFBDLO O=C(O[C@@H]1CC[N@H+](CCF)C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000835372429 746004820 /nfs/dbraw/zinc/00/48/20/746004820.db2.gz URIZHCLQXZORIL-SNVBAGLBSA-N 1 2 350.268 2.814 20 5 FFBDLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000835372429 746004825 /nfs/dbraw/zinc/00/48/25/746004825.db2.gz URIZHCLQXZORIL-SNVBAGLBSA-N 1 2 350.268 2.814 20 5 FFBDLO CCOCCOCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1Br ZINC000839580715 746861257 /nfs/dbraw/zinc/86/12/57/746861257.db2.gz LVFBDQZTYPTYPP-UHFFFAOYSA-N 1 2 361.236 2.842 20 5 FFBDLO CCOCCOCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1Br ZINC000839580715 746861266 /nfs/dbraw/zinc/86/12/66/746861266.db2.gz LVFBDQZTYPTYPP-UHFFFAOYSA-N 1 2 361.236 2.842 20 5 FFBDLO COC(=O)[C@@]1(C)CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000840186096 747032548 /nfs/dbraw/zinc/03/25/48/747032548.db2.gz WFXCZJHBAWLFSI-INIZCTEOSA-N 1 2 366.805 2.831 20 5 FFBDLO COC(=O)[C@@]1(C)CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000840186096 747032552 /nfs/dbraw/zinc/03/25/52/747032552.db2.gz WFXCZJHBAWLFSI-INIZCTEOSA-N 1 2 366.805 2.831 20 5 FFBDLO Cc1nn(C[N@H+]2CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000842615165 747638623 /nfs/dbraw/zinc/63/86/23/747638623.db2.gz MCKFHOICRYSMRV-SMDDNHRTSA-N 1 2 352.435 2.665 20 5 FFBDLO Cc1nn(C[N@@H+]2CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000842615165 747638626 /nfs/dbraw/zinc/63/86/26/747638626.db2.gz MCKFHOICRYSMRV-SMDDNHRTSA-N 1 2 352.435 2.665 20 5 FFBDLO O=[N+]([O-])c1ccccc1-c1cnn(C[NH+]2CCC(O)(C(F)F)CC2)c1 ZINC000848484539 748938464 /nfs/dbraw/zinc/93/84/64/748938464.db2.gz NGNSNELTTDYKIZ-UHFFFAOYSA-N 1 2 352.341 2.508 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000852503087 749877977 /nfs/dbraw/zinc/87/79/77/749877977.db2.gz QNFKWRCZYQUSOU-DIFFPNOSSA-N 1 2 367.833 2.812 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000852503087 749877984 /nfs/dbraw/zinc/87/79/84/749877984.db2.gz QNFKWRCZYQUSOU-DIFFPNOSSA-N 1 2 367.833 2.812 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000852504180 749878799 /nfs/dbraw/zinc/87/87/99/749878799.db2.gz ZWIACRCYDZAEDH-RSQPEXBXSA-N 1 2 355.822 2.524 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000852504180 749878806 /nfs/dbraw/zinc/87/88/06/749878806.db2.gz ZWIACRCYDZAEDH-RSQPEXBXSA-N 1 2 355.822 2.524 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000852534164 749886422 /nfs/dbraw/zinc/88/64/22/749886422.db2.gz HZNUKTLCBGEQSB-GDLVEWKHSA-N 1 2 353.806 2.544 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000852534164 749886429 /nfs/dbraw/zinc/88/64/29/749886429.db2.gz HZNUKTLCBGEQSB-GDLVEWKHSA-N 1 2 353.806 2.544 20 5 FFBDLO COC(=O)c1cc([N+](=O)[O-])c(NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)cc1Cl ZINC000853798317 750167367 /nfs/dbraw/zinc/16/73/67/750167367.db2.gz DHLAMHQYRBMGNJ-GHMZBOCLSA-N 1 2 371.821 2.556 20 5 FFBDLO COC(=O)c1cc([N+](=O)[O-])c(NCC[N@H+]2C[C@@H](C)OC[C@H]2C)cc1Cl ZINC000853798317 750167370 /nfs/dbraw/zinc/16/73/70/750167370.db2.gz DHLAMHQYRBMGNJ-GHMZBOCLSA-N 1 2 371.821 2.556 20 5 FFBDLO CCn1c[nH+]c2c1CCN(c1ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c1)C2 ZINC000896658751 971647988 /nfs/dbraw/zinc/64/79/88/971647988.db2.gz FCGCAZKRAIBVPE-UHFFFAOYSA-N 1 2 369.425 2.610 20 5 FFBDLO C[C@@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872059257 1013137340 /nfs/dbraw/zinc/13/73/40/1013137340.db2.gz CFHBLTCUEOZQGU-CJNGLKHVSA-N 1 2 372.400 2.971 20 5 FFBDLO COC(=O)[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H]([C@H]2CCCO2)C1 ZINC000933179571 963674672 /nfs/dbraw/zinc/67/46/72/963674672.db2.gz JKRIINARYPVBHB-OAUYIBNBSA-N 1 2 366.389 2.667 20 5 FFBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H]([C@H]2CCCO2)C1 ZINC000933179571 963674678 /nfs/dbraw/zinc/67/46/78/963674678.db2.gz JKRIINARYPVBHB-OAUYIBNBSA-N 1 2 366.389 2.667 20 5 FFBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000051114316 964014428 /nfs/dbraw/zinc/01/44/28/964014428.db2.gz JHRFJOLZIUPGLG-SFHVURJKSA-N 1 2 363.364 2.729 20 5 FFBDLO C/C(=C/C(=O)N1CC[NH+](Cc2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000785063153 964173005 /nfs/dbraw/zinc/17/30/05/964173005.db2.gz VJFXGXNCQRLUJB-PEZBUJJGSA-N 1 2 366.421 2.738 20 5 FFBDLO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@@H](O)c3ccc(F)cc3F)CC2)c1 ZINC000051377548 966090378 /nfs/dbraw/zinc/09/03/78/966090378.db2.gz ORNPXQLPWHIUPF-GOSISDBHSA-N 1 2 363.364 2.729 20 5 FFBDLO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@H](O)c3cc(F)ccc3F)CC2)c1 ZINC000051377567 966090451 /nfs/dbraw/zinc/09/04/51/966090451.db2.gz FLFIJLKHEANGDG-SFHVURJKSA-N 1 2 363.364 2.729 20 5 FFBDLO CCCCC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(=O)OC ZINC000176746309 967012102 /nfs/dbraw/zinc/01/21/02/967012102.db2.gz XKXAMVBUGQRURJ-CQSZACIVSA-N 1 2 374.397 2.632 20 5 FFBDLO O=[N+]([O-])c1ccccc1C=CC[N@@H+]1CCc2nc[nH]c2C12CCOCC2 ZINC000895071491 967385002 /nfs/dbraw/zinc/38/50/02/967385002.db2.gz PHDSDWDLWWHRTG-HWKANZROSA-N 1 2 354.410 2.895 20 5 FFBDLO O=[N+]([O-])c1ccccc1C=CC[N@H+]1CCc2nc[nH]c2C12CCOCC2 ZINC000895071491 967385010 /nfs/dbraw/zinc/38/50/10/967385010.db2.gz PHDSDWDLWWHRTG-HWKANZROSA-N 1 2 354.410 2.895 20 5 FFBDLO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874887727 1013922806 /nfs/dbraw/zinc/92/28/06/1013922806.db2.gz DVIPLXMAEQERTR-MRXNPFEDSA-N 1 2 361.348 2.589 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874891194 1013924308 /nfs/dbraw/zinc/92/43/08/1013924308.db2.gz JMGVYVVGNCKJQK-INIZCTEOSA-N 1 2 359.357 2.529 20 5 FFBDLO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NCc1nc(C[NH+](C)C)cs1 ZINC000895480272 970659136 /nfs/dbraw/zinc/65/91/36/970659136.db2.gz FHRLPQSBOSUYHV-UHFFFAOYSA-N 1 2 373.438 2.704 20 5 FFBDLO CCOC(=O)Cc1ccc(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000825832339 1014095130 /nfs/dbraw/zinc/09/51/30/1014095130.db2.gz ORJCXAYKSYHRCZ-KBXCAEBGSA-N 1 2 372.425 2.984 20 5 FFBDLO O=C(OC[C@@H]1Cc2ccccc2O1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178793145 977963181 /nfs/dbraw/zinc/96/31/81/977963181.db2.gz UKTWBDONNNUTGF-HNNXBMFYSA-N 1 2 365.345 2.941 20 5 FFBDLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc2ccccc2c2cccnc12 ZINC000653866826 1014469702 /nfs/dbraw/zinc/46/97/02/1014469702.db2.gz SWLAJZFBSZAJQE-CALCHBBNSA-N 1 2 361.445 2.981 20 5 FFBDLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc2ccccc2c2cccnc12 ZINC000653866826 1014469714 /nfs/dbraw/zinc/46/97/14/1014469714.db2.gz SWLAJZFBSZAJQE-CALCHBBNSA-N 1 2 361.445 2.981 20 5 FFBDLO O=C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000152157026 979083601 /nfs/dbraw/zinc/08/36/01/979083601.db2.gz XCSYIKLHNGRORZ-AYOQOUSVSA-N 1 2 360.373 2.849 20 5 FFBDLO COc1ccc(C[N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000029065154 984091452 /nfs/dbraw/zinc/09/14/52/984091452.db2.gz DYLCRFLYTMKWMC-UHFFFAOYSA-N 1 2 361.373 2.837 20 5 FFBDLO COc1ccc(C[N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000029065154 984091456 /nfs/dbraw/zinc/09/14/56/984091456.db2.gz DYLCRFLYTMKWMC-UHFFFAOYSA-N 1 2 361.373 2.837 20 5 FFBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)cc1 ZINC000157755733 984639207 /nfs/dbraw/zinc/63/92/07/984639207.db2.gz XNYDVGFSLXODHS-QUCCMNQESA-N 1 2 372.421 2.798 20 5 FFBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)cc1 ZINC000157755733 984639209 /nfs/dbraw/zinc/63/92/09/984639209.db2.gz XNYDVGFSLXODHS-QUCCMNQESA-N 1 2 372.421 2.798 20 5 FFBDLO CCOc1ccc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000126338542 989092243 /nfs/dbraw/zinc/09/22/43/989092243.db2.gz VAPFHNWTRRKOAS-CJNGLKHVSA-N 1 2 358.398 2.913 20 5 FFBDLO COC(=O)c1cc(C2CC[NH+](Cc3cc(F)ccc3[N+](=O)[O-])CC2)no1 ZINC000879431573 1015530195 /nfs/dbraw/zinc/53/01/95/1015530195.db2.gz VNYYDHDJTUMPFE-UHFFFAOYSA-N 1 2 363.345 2.888 20 5 FFBDLO O=C(Nc1cccc2c1COC2=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000809381924 994501288 /nfs/dbraw/zinc/50/12/88/994501288.db2.gz RZHDHYZQJCUCRU-UHFFFAOYSA-N 1 2 364.317 2.703 20 5 FFBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000811540699 995178124 /nfs/dbraw/zinc/17/81/24/995178124.db2.gz ZJOSQFKLAVNCTJ-ACJLOTCBSA-N 1 2 366.377 2.632 20 5 FFBDLO CCn1cc(C[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C(C)C)cn1 ZINC000844738307 998134315 /nfs/dbraw/zinc/13/43/15/998134315.db2.gz WYGZNYWILDEFJL-UHFFFAOYSA-N 1 2 357.418 2.732 20 5 FFBDLO CCn1cc(C[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C(C)C)cn1 ZINC000844738307 998134319 /nfs/dbraw/zinc/13/43/19/998134319.db2.gz WYGZNYWILDEFJL-UHFFFAOYSA-N 1 2 357.418 2.732 20 5 FFBDLO CCOc1ccc(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)cc1[N+](=O)[O-] ZINC000742239409 999766130 /nfs/dbraw/zinc/76/61/30/999766130.db2.gz TYLBWJBGPDYIRQ-UHFFFAOYSA-N 1 2 371.384 2.795 20 5 FFBDLO CCOc1ccc(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)cc1[N+](=O)[O-] ZINC000742239409 999766132 /nfs/dbraw/zinc/76/61/32/999766132.db2.gz TYLBWJBGPDYIRQ-UHFFFAOYSA-N 1 2 371.384 2.795 20 5 FFBDLO COc1ccc(F)cc1C[NH+]1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000804327647 1000051680 /nfs/dbraw/zinc/05/16/80/1000051680.db2.gz QZTAQTZVWZESNQ-UHFFFAOYSA-N 1 2 360.389 2.647 20 5 FFBDLO CCOC(=O)N(C)C1CC[NH+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000766754885 1000059279 /nfs/dbraw/zinc/05/92/79/1000059279.db2.gz DCOKOLUWWHXCIY-UHFFFAOYSA-N 1 2 369.393 2.795 20 5 FFBDLO CC(C)(C)c1nnc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)o1 ZINC000785676436 1001466666 /nfs/dbraw/zinc/46/66/66/1001466666.db2.gz UYQDQTDFFHITCF-UHFFFAOYSA-N 1 2 371.353 2.818 20 5 FFBDLO Cn1c[nH+]cc1CCOC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000793242168 1003317169 /nfs/dbraw/zinc/31/71/69/1003317169.db2.gz NLZPVIGUXDJTJF-UHFFFAOYSA-N 1 2 361.401 2.674 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCc2nc(F)ccc21 ZINC001131172037 1004770301 /nfs/dbraw/zinc/77/03/01/1004770301.db2.gz AQIWJCQTILEMAR-UHFFFAOYSA-N 1 2 353.313 2.518 20 5 FFBDLO Nc1ccc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cc1[N+](=O)[O-] ZINC000107276106 1005405014 /nfs/dbraw/zinc/40/50/14/1005405014.db2.gz IKWMRYIMLIUBRT-UHFFFAOYSA-N 1 2 369.425 2.882 20 5 FFBDLO COc1cccc([C@H]2C[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CCO2)c1 ZINC000776586206 1005972056 /nfs/dbraw/zinc/97/20/56/1005972056.db2.gz KPXASTQDKDNMCR-RBUKOAKNSA-N 1 2 358.394 2.710 20 5 FFBDLO COc1cccc([C@H]2C[N@@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CCO2)c1 ZINC000776586206 1005972065 /nfs/dbraw/zinc/97/20/65/1005972065.db2.gz KPXASTQDKDNMCR-RBUKOAKNSA-N 1 2 358.394 2.710 20 5 FFBDLO Cc1ccccc1[C@@H](O)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000112396394 1006910337 /nfs/dbraw/zinc/91/03/37/1006910337.db2.gz ZFVSOMIXLRVGPV-SFHVURJKSA-N 1 2 366.377 2.552 20 5 FFBDLO O=C(OCc1cccc(C[NH+]2CCOCC2)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000817184579 1007465608 /nfs/dbraw/zinc/46/56/08/1007465608.db2.gz OWLOUVHYEBUZLH-UHFFFAOYSA-N 1 2 374.368 2.923 20 5 FFBDLO COC(=O)CCCCCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001136217551 1008114758 /nfs/dbraw/zinc/11/47/58/1008114758.db2.gz DZWHYKNCHDEPPI-UHFFFAOYSA-N 1 2 374.397 2.634 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCNc3[nH+]cc(C)cc32)c1 ZINC000857995767 1008272252 /nfs/dbraw/zinc/27/22/52/1008272252.db2.gz GTLGKNIGPHFBCY-UHFFFAOYSA-N 1 2 356.382 2.834 20 5 FFBDLO O=C(NC[C@H]1CCCC[N@H+]1Cc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000886029715 1008519093 /nfs/dbraw/zinc/51/90/93/1008519093.db2.gz AASKTCUCDLDHCJ-QGZVFWFLSA-N 1 2 354.410 2.774 20 5 FFBDLO O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000886029715 1008519100 /nfs/dbraw/zinc/51/91/00/1008519100.db2.gz AASKTCUCDLDHCJ-QGZVFWFLSA-N 1 2 354.410 2.774 20 5 FFBDLO CN(C)c1cccc(C[N@H+](C)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)c1 ZINC000794632247 1010448202 /nfs/dbraw/zinc/44/82/02/1010448202.db2.gz GTMWUNZPTOEJIW-UHFFFAOYSA-N 1 2 356.382 2.658 20 5 FFBDLO CN(C)c1cccc(C[N@@H+](C)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)c1 ZINC000794632247 1010448207 /nfs/dbraw/zinc/44/82/07/1010448207.db2.gz GTMWUNZPTOEJIW-UHFFFAOYSA-N 1 2 356.382 2.658 20 5 FFBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000794638138 1010449549 /nfs/dbraw/zinc/44/95/49/1010449549.db2.gz ADTUQHOVINGESP-UHFFFAOYSA-N 1 2 368.393 2.810 20 5 FFBDLO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]c1ccc(N2CCNC(=O)C2)cc1 ZINC000866315051 1010975125 /nfs/dbraw/zinc/97/51/25/1010975125.db2.gz FUQJBMNVOZKLJC-ZDUSSCGKSA-N 1 2 372.400 2.713 20 5 FFBDLO Cc1ccc(C[NH+]2CC(C)(c3nnc(C4CCOCC4)o3)C2)cc1[N+](=O)[O-] ZINC000828039921 1032582235 /nfs/dbraw/zinc/58/22/35/1032582235.db2.gz HQQKBIKYVMSIHF-UHFFFAOYSA-N 1 2 372.425 2.954 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)c1F ZINC001173196579 1012341444 /nfs/dbraw/zinc/34/14/44/1012341444.db2.gz NUESCZDALLDXLJ-RYUDHWBXSA-N 1 2 373.375 2.699 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CCN3CC(F)(F)C[C@H]3C2)c1F ZINC001173196579 1012341459 /nfs/dbraw/zinc/34/14/59/1012341459.db2.gz NUESCZDALLDXLJ-RYUDHWBXSA-N 1 2 373.375 2.699 20 5 FFBDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)[NH+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000795141313 1012542934 /nfs/dbraw/zinc/54/29/34/1012542934.db2.gz GVDPTCWGMZIBPC-CPUCHLNUSA-N 1 2 363.458 2.596 20 5 FFBDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000795141314 1012543744 /nfs/dbraw/zinc/54/37/44/1012543744.db2.gz GVDPTCWGMZIBPC-JKIFEVAISA-N 1 2 363.458 2.596 20 5 FFBDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000795141314 1012543763 /nfs/dbraw/zinc/54/37/63/1012543763.db2.gz GVDPTCWGMZIBPC-JKIFEVAISA-N 1 2 363.458 2.596 20 5 FFBDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000795141315 1012544038 /nfs/dbraw/zinc/54/40/38/1012544038.db2.gz GVDPTCWGMZIBPC-VBQJREDUSA-N 1 2 363.458 2.596 20 5 FFBDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000795141315 1012544055 /nfs/dbraw/zinc/54/40/55/1012544055.db2.gz GVDPTCWGMZIBPC-VBQJREDUSA-N 1 2 363.458 2.596 20 5 FFBDLO O=C(Nc1cccc2nonc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000773383593 1012702538 /nfs/dbraw/zinc/70/25/38/1012702538.db2.gz ZMYDYQXMVBSYPR-UHFFFAOYSA-N 1 2 350.294 2.569 20 5 FFBDLO Cc1noc(COc2c(C)cc(C[NH+]3CCOCC3)cc2C)c1[N+](=O)[O-] ZINC000902522760 1020254734 /nfs/dbraw/zinc/25/47/34/1020254734.db2.gz CMNXEWIRQNSQMF-UHFFFAOYSA-N 1 2 361.398 2.919 20 5 FFBDLO Cc1csc(C[C@@H]2CC[N@H+](Cn3c(=O)oc4ccc([N+](=O)[O-])cc43)C2)n1 ZINC000902541169 1020268590 /nfs/dbraw/zinc/26/85/90/1020268590.db2.gz PNPFSQLDNCCGDZ-LBPRGKRZSA-N 1 2 374.422 2.790 20 5 FFBDLO Cc1csc(C[C@@H]2CC[N@@H+](Cn3c(=O)oc4ccc([N+](=O)[O-])cc43)C2)n1 ZINC000902541169 1020268597 /nfs/dbraw/zinc/26/85/97/1020268597.db2.gz PNPFSQLDNCCGDZ-LBPRGKRZSA-N 1 2 374.422 2.790 20 5 FFBDLO C/C(=C\C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)C[NH+]1CCOCC1 ZINC000900347898 1020373003 /nfs/dbraw/zinc/37/30/03/1020373003.db2.gz GRFNSPMGQQIGHX-FOWTUZBSSA-N 1 2 361.442 2.610 20 5 FFBDLO O=[N+]([O-])c1ccc(F)c(Br)c1O[C@@H]1CC[NH2+]CC1(F)F ZINC001218010612 1032949836 /nfs/dbraw/zinc/94/98/36/1032949836.db2.gz QCHOYEJVLDGCGY-MRVPVSSYSA-N 1 2 355.110 2.872 20 5 FFBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCc3c(ncn3-c3ccccc3)C2)cc1 ZINC000778237362 1021187415 /nfs/dbraw/zinc/18/74/15/1021187415.db2.gz ORZJVIYWESCTMJ-FQEVSTJZSA-N 1 2 364.405 2.872 20 5 FFBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCc3c(ncn3-c3ccccc3)C2)cc1 ZINC000778237362 1021187422 /nfs/dbraw/zinc/18/74/22/1021187422.db2.gz ORZJVIYWESCTMJ-FQEVSTJZSA-N 1 2 364.405 2.872 20 5 FFBDLO CN(C)c1cc(COC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc[nH+]1 ZINC000755907576 1023648597 /nfs/dbraw/zinc/64/85/97/1023648597.db2.gz VRZGYYGSQNGIFC-UHFFFAOYSA-N 1 2 374.353 2.640 20 5 FFBDLO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001124074747 1024272065 /nfs/dbraw/zinc/27/20/65/1024272065.db2.gz BJJVHDSOLWONHP-UHFFFAOYSA-N 1 2 360.389 2.871 20 5 FFBDLO CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cn2cc([N+](=O)[O-])c(C)n2)CC1 ZINC000779863994 1025179522 /nfs/dbraw/zinc/17/95/22/1025179522.db2.gz BODZSBUEGVDPCI-KRWDZBQOSA-N 1 2 363.462 2.560 20 5 FFBDLO C[C@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000839646345 1026773850 /nfs/dbraw/zinc/77/38/50/1026773850.db2.gz IGNVDPJUTZBBEK-JXFKEZNVSA-N 1 2 355.438 2.835 20 5 FFBDLO C[C@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000839646345 1026773862 /nfs/dbraw/zinc/77/38/62/1026773862.db2.gz IGNVDPJUTZBBEK-JXFKEZNVSA-N 1 2 355.438 2.835 20 5 FFBDLO C[C@@]12C[N@H+](Cn3nc(-c4ccccc4[N+](=O)[O-])oc3=O)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000840114587 1026961242 /nfs/dbraw/zinc/96/12/42/1026961242.db2.gz GYCIFIYHRZMVTO-IZSNYMMISA-N 1 2 368.393 2.513 20 5 FFBDLO C[C@@]12C[N@@H+](Cn3nc(-c4ccccc4[N+](=O)[O-])oc3=O)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000840114587 1026961252 /nfs/dbraw/zinc/96/12/52/1026961252.db2.gz GYCIFIYHRZMVTO-IZSNYMMISA-N 1 2 368.393 2.513 20 5 FFBDLO Cc1nn(C[N@H+](C)CCNC(=O)OC(C)(C)C)c2cc([N+](=O)[O-])ccc12 ZINC000840157543 1026988990 /nfs/dbraw/zinc/98/89/90/1026988990.db2.gz JGFNYVIHSIIPGH-UHFFFAOYSA-N 1 2 363.418 2.667 20 5 FFBDLO Cc1nn(C[N@@H+](C)CCNC(=O)OC(C)(C)C)c2cc([N+](=O)[O-])ccc12 ZINC000840157543 1026988995 /nfs/dbraw/zinc/98/89/95/1026988995.db2.gz JGFNYVIHSIIPGH-UHFFFAOYSA-N 1 2 363.418 2.667 20 5 FFBDLO CCCn1cc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)ccc1=O ZINC001534224331 1069616088 /nfs/dbraw/zinc/61/60/88/1069616088.db2.gz ODWOTOWUZHPPNH-UHFFFAOYSA-N 1 2 367.365 2.605 20 5 FFBDLO COc1c(O)ccc(C[N@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC001204229720 1031176117 /nfs/dbraw/zinc/17/61/17/1031176117.db2.gz RYXGZLYVBYOKQI-LLVKDONJSA-N 1 2 369.418 2.654 20 5 FFBDLO COc1c(O)ccc(C[N@@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC001204229720 1031176126 /nfs/dbraw/zinc/17/61/26/1031176126.db2.gz RYXGZLYVBYOKQI-LLVKDONJSA-N 1 2 369.418 2.654 20 5 FFBDLO O=[N+]([O-])c1cccc(Nc2ccc(N3CC[NH+](C4COC4)CC3)cc2)c1 ZINC001204477884 1031305374 /nfs/dbraw/zinc/30/53/74/1031305374.db2.gz YGIUKJFTBZPHJU-UHFFFAOYSA-N 1 2 354.410 2.859 20 5 FFBDLO Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@H]1C[NH2+]CC(F)(F)C1 ZINC001218857740 1033379601 /nfs/dbraw/zinc/37/96/01/1033379601.db2.gz QNOJMJSEVFHFPU-SNVBAGLBSA-N 1 2 357.364 2.549 20 5 FFBDLO O=C(C[NH+]1CCC(OCc2ccc([N+](=O)[O-])nc2)CC1)c1cccs1 ZINC001224116129 1033723470 /nfs/dbraw/zinc/72/34/70/1033723470.db2.gz YIAFZDMJCJEQOM-UHFFFAOYSA-N 1 2 361.423 2.915 20 5 FFBDLO CCCn1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c1 ZINC001138192443 1033937946 /nfs/dbraw/zinc/93/79/46/1033937946.db2.gz QEXNSDBDVZZYMA-UHFFFAOYSA-N 1 2 353.382 2.922 20 5 FFBDLO COC(=O)[C@H]1CCC[C@@H](OC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000835336931 1035699993 /nfs/dbraw/zinc/69/99/93/1035699993.db2.gz XOYFGYZYNCOARQ-GXTWGEPZSA-N 1 2 373.365 2.669 20 5 FFBDLO Cc1cc(O)c(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC001229751610 1036871818 /nfs/dbraw/zinc/87/18/18/1036871818.db2.gz WPBOGRQTBLHANW-MRXNPFEDSA-N 1 2 358.394 2.889 20 5 FFBDLO Cc1cc(O)c(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC001229751610 1036871836 /nfs/dbraw/zinc/87/18/36/1036871836.db2.gz WPBOGRQTBLHANW-MRXNPFEDSA-N 1 2 358.394 2.889 20 5 FFBDLO COc1c(O)ccc2c(=O)c3c(O[C@@H]4CCC[N@H+](C)C4)cc(O)cc3oc21 ZINC001234749605 1037166433 /nfs/dbraw/zinc/16/64/33/1037166433.db2.gz QYRSWOQLJKCBLL-GFCCVEGCSA-N 1 2 371.389 2.839 20 5 FFBDLO COc1c(O)ccc2c(=O)c3c(O[C@@H]4CCC[N@@H+](C)C4)cc(O)cc3oc21 ZINC001234749605 1037166439 /nfs/dbraw/zinc/16/64/39/1037166439.db2.gz QYRSWOQLJKCBLL-GFCCVEGCSA-N 1 2 371.389 2.839 20 5 FFBDLO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2CC[C@H](C(F)(F)F)C[NH2+]2)n1 ZINC001247759048 1039937323 /nfs/dbraw/zinc/93/73/23/1039937323.db2.gz JZODJPJBNYVMIT-XPUUQOCRSA-N 1 2 361.255 2.782 20 5 FFBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC001253110234 1039986610 /nfs/dbraw/zinc/98/66/10/1039986610.db2.gz PEVDLOWZUVCAKX-ZDUSSCGKSA-N 1 2 367.409 2.905 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC001309797736 1043531628 /nfs/dbraw/zinc/53/16/28/1043531628.db2.gz OWIXZRHINKKKDK-QGZVFWFLSA-N 1 2 372.406 2.511 20 5 FFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c(Br)c1 ZINC001329357299 1048682645 /nfs/dbraw/zinc/68/26/45/1048682645.db2.gz OGTPJQNQRLNKFC-BHVCSQLQSA-N 1 2 373.272 2.843 20 5 FFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c(Br)c1 ZINC001329357299 1048682649 /nfs/dbraw/zinc/68/26/49/1048682649.db2.gz OGTPJQNQRLNKFC-BHVCSQLQSA-N 1 2 373.272 2.843 20 5 FFBDLO O=C(NCCCc1ccc(O)cc1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001293909015 1049651310 /nfs/dbraw/zinc/65/13/10/1049651310.db2.gz XJYUISFWTIAEAN-UHFFFAOYSA-N 1 2 366.377 2.849 20 5 FFBDLO CN(C)c1[nH+]ccc2c1CN(c1ncnc3cccc([N+](=O)[O-])c31)CC2 ZINC001336828800 1054263724 /nfs/dbraw/zinc/26/37/24/1054263724.db2.gz NMDQDRNIPXEEOX-UHFFFAOYSA-N 1 2 350.382 2.562 20 5 FFBDLO CCCCOC(=O)C(C)(C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000847222201 1055264730 /nfs/dbraw/zinc/26/47/30/1055264730.db2.gz WBIJNKMVPYGUFH-UHFFFAOYSA-N 1 2 374.397 2.632 20 5 FFBDLO CN(Cc1ccccc1[N+](=O)[O-])c1nc(NCCO)c2ccccc2[nH+]1 ZINC000603579593 1056359773 /nfs/dbraw/zinc/35/97/73/1056359773.db2.gz NUWSZWMHJGPBQT-UHFFFAOYSA-N 1 2 353.382 2.579 20 5 FFBDLO C[C@H]1C[N@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)CC2(CCCC2)O1 ZINC000848490302 1060146329 /nfs/dbraw/zinc/14/63/29/1060146329.db2.gz YMIJWDRAYNNZBA-YJBOKZPZSA-N 1 2 373.453 2.902 20 5 FFBDLO C[C@H]1C[N@@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)CC2(CCCC2)O1 ZINC000848490302 1060146335 /nfs/dbraw/zinc/14/63/35/1060146335.db2.gz YMIJWDRAYNNZBA-YJBOKZPZSA-N 1 2 373.453 2.902 20 5 FFBDLO O=C(N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848581714 1060309289 /nfs/dbraw/zinc/30/92/89/1060309289.db2.gz PXWTUSWBBKAPMP-LLVKDONJSA-N 1 2 366.324 2.696 20 5 FFBDLO COc1cc(C(=O)NCCNc2cc(C)[nH+]c(C(C)C)n2)ccc1[N+](=O)[O-] ZINC000600367411 1060316783 /nfs/dbraw/zinc/31/67/83/1060316783.db2.gz TVUIDVUQZSLGLC-UHFFFAOYSA-N 1 2 373.413 2.667 20 5 FFBDLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNc3ncc([N+](=O)[O-])cc3C)C2)cc1 ZINC001458590190 1060630620 /nfs/dbraw/zinc/63/06/20/1060630620.db2.gz FSEKUAZUTXAOPE-SFHVURJKSA-N 1 2 356.426 2.920 20 5 FFBDLO Cc1ccc(C[N@H+]2CCO[C@@H](CNc3ncc([N+](=O)[O-])cc3C)C2)cc1 ZINC001458590190 1060630634 /nfs/dbraw/zinc/63/06/34/1060630634.db2.gz FSEKUAZUTXAOPE-SFHVURJKSA-N 1 2 356.426 2.920 20 5 FFBDLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC001475578756 1061147035 /nfs/dbraw/zinc/14/70/35/1061147035.db2.gz SNTGCELPSAOMBR-UHFFFAOYSA-N 1 2 365.411 2.994 20 5 FFBDLO COc1ccncc1COC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001527349963 1061473246 /nfs/dbraw/zinc/47/32/46/1061473246.db2.gz QVALPFOCDPPQJZ-UHFFFAOYSA-N 1 2 354.322 2.541 20 5 FFBDLO COCc1csc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c1 ZINC001529063261 1062147121 /nfs/dbraw/zinc/14/71/21/1062147121.db2.gz FYQLMBMIGRSOEB-UHFFFAOYSA-N 1 2 372.406 2.918 20 5 FFBDLO Cc1noc(C)c1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001530321144 1062543389 /nfs/dbraw/zinc/54/33/89/1062543389.db2.gz NUQHMLYHHVZCHX-SNVBAGLBSA-N 1 2 355.354 2.876 20 5 FFBDLO Nc1ccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1[N+](=O)[O-] ZINC001467033007 1063621506 /nfs/dbraw/zinc/62/15/06/1063621506.db2.gz YTJSGCPXBIXOHM-UHFFFAOYSA-N 1 2 370.344 2.824 20 5 FFBDLO CN(CC[N@H+](C)Cc1c(Cl)oc2ccccc21)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001496698453 1063635078 /nfs/dbraw/zinc/63/50/78/1063635078.db2.gz MYRYUBWCSHFSKS-TZMCWYRMSA-N 1 2 365.817 2.642 20 5 FFBDLO CN(CC[N@@H+](C)Cc1c(Cl)oc2ccccc21)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001496698453 1063635085 /nfs/dbraw/zinc/63/50/85/1063635085.db2.gz MYRYUBWCSHFSKS-TZMCWYRMSA-N 1 2 365.817 2.642 20 5 FFBDLO Cn1c2ccccc2c(NCC[NH+]2Cc3ccccc3C2)c([N+](=O)[O-])c1=O ZINC001472676397 1065125678 /nfs/dbraw/zinc/12/56/78/1065125678.db2.gz HPWFTYYJDSHUES-UHFFFAOYSA-N 1 2 364.405 2.874 20 5 FFBDLO CN(C)c1nc(Cl)c(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)s1 ZINC001474666930 1065573402 /nfs/dbraw/zinc/57/34/02/1065573402.db2.gz FWPVCMHJZOUVLN-OAHLLOKOSA-N 1 2 370.862 2.768 20 5 FFBDLO C[C@H]1c2ccccc2OCC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001576398657 1078224649 /nfs/dbraw/zinc/22/46/49/1078224649.db2.gz MDVMWGUCDDDOTF-LBPRGKRZSA-N 1 2 366.381 2.731 20 5 FFBDLO C[C@H]1c2ccccc2OCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001576398657 1078224651 /nfs/dbraw/zinc/22/46/51/1078224651.db2.gz MDVMWGUCDDDOTF-LBPRGKRZSA-N 1 2 366.381 2.731 20 5 FFBDLO CC(C)C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1nc(-c2nc[nH]n2)no1 ZINC001560423932 1076272586 /nfs/dbraw/zinc/27/25/86/1076272586.db2.gz DOKVZJFLCNFPJX-ZDUSSCGKSA-N 1 2 357.374 2.640 20 5 FFBDLO CC(C)(O)c1cnc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)s1 ZINC001569955138 1077174565 /nfs/dbraw/zinc/17/45/65/1077174565.db2.gz RIOYTZKVOKGIMM-UHFFFAOYSA-N 1 2 373.394 2.717 20 5 FFBDLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3N)CC2)s1 ZINC001586477585 1079636128 /nfs/dbraw/zinc/63/61/28/1079636128.db2.gz ZMVSQPFNKYZRDF-UHFFFAOYSA-N 1 2 374.466 2.759 20 5 FFBDLO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)Cc1ccccc1 ZINC001587639685 1079833909 /nfs/dbraw/zinc/83/39/09/1079833909.db2.gz LQFRMTVWCOENGK-KRWDZBQOSA-N 1 2 371.437 2.983 20 5 FFBDLO CC1(C)C[C@@H]([NH2+]Cc2nc(-c3nn[nH]n3)cs2)c2cc([N+](=O)[O-])ccc21 ZINC001590083832 1080997429 /nfs/dbraw/zinc/99/74/29/1080997429.db2.gz KVYJSGRNKYKMLO-GFCCVEGCSA-N 1 2 371.426 2.744 20 5 FFBDLO COc1ccc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000272845254 252145255 /nfs/dbraw/zinc/14/52/55/252145255.db2.gz PFJAJNQUSHAEFK-SWLSCSKDSA-N 1 2 359.386 2.915 20 5 FFBDLO CCOc1cc(C[NH+]2CCN(Cc3nc(C)c(C)o3)CC2)ccc1[N+](=O)[O-] ZINC000276883080 256138891 /nfs/dbraw/zinc/13/88/91/256138891.db2.gz JBTRSGONHQINPH-UHFFFAOYSA-N 1 2 374.441 2.916 20 5 FFBDLO O=C(NCCCn1cc[nH+]c1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000278477792 256317076 /nfs/dbraw/zinc/31/70/76/256317076.db2.gz JNQUDLXBOPROLB-UHFFFAOYSA-N 1 2 371.319 2.700 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](CC(F)(F)F)C2)cc1 ZINC000278582878 256327821 /nfs/dbraw/zinc/32/78/21/256327821.db2.gz CTFOXMSOMHJHRB-LLVKDONJSA-N 1 2 366.361 2.643 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](CC(F)(F)F)C2)cc1 ZINC000278582878 256327822 /nfs/dbraw/zinc/32/78/22/256327822.db2.gz CTFOXMSOMHJHRB-LLVKDONJSA-N 1 2 366.361 2.643 20 5 FFBDLO CC(C)(C)[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000279219723 256394777 /nfs/dbraw/zinc/39/47/77/256394777.db2.gz FNQWXBDZSVAYSQ-MRXNPFEDSA-N 1 2 358.398 2.668 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H]1[C@H]1CCCO1 ZINC000285810207 257005835 /nfs/dbraw/zinc/00/58/35/257005835.db2.gz NHHGINKHLQWRSX-DOTOQJQBSA-N 1 2 356.382 2.564 20 5 FFBDLO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000278884965 256358241 /nfs/dbraw/zinc/35/82/41/256358241.db2.gz YWENLRIMLBZKGS-YUMQZZPRSA-N 1 2 362.249 2.583 20 5 FFBDLO CC(C)OCc1nc([C@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])no1 ZINC000289462782 257282552 /nfs/dbraw/zinc/28/25/52/257282552.db2.gz HCJWBLCAKGIAMP-LBPRGKRZSA-N 1 2 350.375 2.632 20 5 FFBDLO CCC[C@@]1(CO)CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000288897674 257235736 /nfs/dbraw/zinc/23/57/36/257235736.db2.gz SFSLPCBAEKZHEH-MRXNPFEDSA-N 1 2 355.822 2.671 20 5 FFBDLO CCC[C@@]1(CO)CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000288897674 257235737 /nfs/dbraw/zinc/23/57/37/257235737.db2.gz SFSLPCBAEKZHEH-MRXNPFEDSA-N 1 2 355.822 2.671 20 5 FFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC3(C2)Oc2ccccc2O3)c2c(c1)COCO2 ZINC000289033433 257249658 /nfs/dbraw/zinc/24/96/58/257249658.db2.gz OZXIZSWCKCCCLH-UHFFFAOYSA-N 1 2 370.361 2.835 20 5 FFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC3(C2)Oc2ccccc2O3)c2c(c1)COCO2 ZINC000289033433 257249661 /nfs/dbraw/zinc/24/96/61/257249661.db2.gz OZXIZSWCKCCCLH-UHFFFAOYSA-N 1 2 370.361 2.835 20 5 FFBDLO Cc1c(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000299688775 258016931 /nfs/dbraw/zinc/01/69/31/258016931.db2.gz VESIQLNMCNEXFM-UHFFFAOYSA-N 1 2 359.342 2.554 20 5 FFBDLO C[N@@H+]1CCO[C@H]([C@@H](Nc2ncc([N+](=O)[O-])cn2)c2ccc(Cl)cc2)C1 ZINC000302239534 258097309 /nfs/dbraw/zinc/09/73/09/258097309.db2.gz XBNVTOBYNYAXHF-GJZGRUSLSA-N 1 2 363.805 2.522 20 5 FFBDLO C[N@H+]1CCO[C@H]([C@@H](Nc2ncc([N+](=O)[O-])cn2)c2ccc(Cl)cc2)C1 ZINC000302239534 258097311 /nfs/dbraw/zinc/09/73/11/258097311.db2.gz XBNVTOBYNYAXHF-GJZGRUSLSA-N 1 2 363.805 2.522 20 5 FFBDLO Cc1cccc(N2CC[NH+](CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000302504267 258104013 /nfs/dbraw/zinc/10/40/13/258104013.db2.gz PSTBGUWNWXAJBO-HZPDHXFCSA-N 1 2 374.485 2.530 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)cc1OC(F)F ZINC000302774936 258110358 /nfs/dbraw/zinc/11/03/58/258110358.db2.gz OGVNIXNSUOFJCB-CQSZACIVSA-N 1 2 368.340 2.869 20 5 FFBDLO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000311797461 258115632 /nfs/dbraw/zinc/11/56/32/258115632.db2.gz MWKIZOWHVCMISY-HNNXBMFYSA-N 1 2 355.394 2.552 20 5 FFBDLO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000311797461 258115633 /nfs/dbraw/zinc/11/56/33/258115633.db2.gz MWKIZOWHVCMISY-HNNXBMFYSA-N 1 2 355.394 2.552 20 5 FFBDLO O=[N+]([O-])c1cnc(N2CC[C@H](Oc3cc[nH+]cc3)C2)c(Br)c1 ZINC000301622086 258059302 /nfs/dbraw/zinc/05/93/02/258059302.db2.gz DNYKHXCGQYEVTR-LBPRGKRZSA-N 1 2 365.187 2.805 20 5 FFBDLO CCNC(=O)N1CC[C@@H](Nc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000301630932 258059888 /nfs/dbraw/zinc/05/98/88/258059888.db2.gz CMJHBFZIWSFEPX-CQSZACIVSA-N 1 2 370.413 2.576 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)cnc1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000301738255 258065761 /nfs/dbraw/zinc/06/57/61/258065761.db2.gz IXIGRTVAWAUMMH-SJORKVTESA-N 1 2 374.828 2.733 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)cnc1N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000301738255 258065763 /nfs/dbraw/zinc/06/57/63/258065763.db2.gz IXIGRTVAWAUMMH-SJORKVTESA-N 1 2 374.828 2.733 20 5 FFBDLO Cc1cc(NC(=O)c2c([N+](=O)[O-])cnn2C)c[nH+]c1N1CCCC[C@@H]1C ZINC000332169323 258217297 /nfs/dbraw/zinc/21/72/97/258217297.db2.gz VLXPKRATHGTELA-LBPRGKRZSA-N 1 2 358.402 2.663 20 5 FFBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000065792659 506367308 /nfs/dbraw/zinc/36/73/08/506367308.db2.gz JNJDYCKYCSBBKK-UHFFFAOYSA-N 1 2 374.422 2.592 20 5 FFBDLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000366728258 512161517 /nfs/dbraw/zinc/16/15/17/512161517.db2.gz HKJQEVJXIVMTOO-DYVFJYSZSA-N 1 2 355.394 2.551 20 5 FFBDLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000366728258 512161519 /nfs/dbraw/zinc/16/15/19/512161519.db2.gz HKJQEVJXIVMTOO-DYVFJYSZSA-N 1 2 355.394 2.551 20 5 FFBDLO C[C@H](c1nc(C2CC2)no1)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000065969571 506403127 /nfs/dbraw/zinc/40/31/27/506403127.db2.gz HSHBTBSXEJJUBL-CYBMUJFWSA-N 1 2 357.414 2.734 20 5 FFBDLO COc1cc(OCC(=O)Nc2cccc(-n3cc[nH+]c3)c2)ccc1[N+](=O)[O-] ZINC000066023684 506412828 /nfs/dbraw/zinc/41/28/28/506412828.db2.gz CSOMOJOUQODKSF-UHFFFAOYSA-N 1 2 368.349 2.807 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000066869764 506675133 /nfs/dbraw/zinc/67/51/33/506675133.db2.gz CLMYYVBXLMZFBI-UHFFFAOYSA-N 1 2 362.817 2.974 20 5 FFBDLO COc1ccccc1C[N@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067374728 506851024 /nfs/dbraw/zinc/85/10/24/506851024.db2.gz HRUVIGXIOKLWTD-KRWDZBQOSA-N 1 2 355.394 2.841 20 5 FFBDLO COc1ccccc1C[N@@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067374728 506851033 /nfs/dbraw/zinc/85/10/33/506851033.db2.gz HRUVIGXIOKLWTD-KRWDZBQOSA-N 1 2 355.394 2.841 20 5 FFBDLO O=C(NCc1cccnc1-n1cc[nH+]c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000044895253 506898801 /nfs/dbraw/zinc/89/88/01/506898801.db2.gz JXDSCTZIIXXCRE-UHFFFAOYSA-N 1 2 357.757 2.759 20 5 FFBDLO COCCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCCC1 ZINC000045512195 506976432 /nfs/dbraw/zinc/97/64/32/506976432.db2.gz MFKYNNZOKUHRSD-UHFFFAOYSA-N 1 2 358.398 2.812 20 5 FFBDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)NCc1ccccc1[N+](=O)[O-] ZINC000045622939 506993649 /nfs/dbraw/zinc/99/36/49/506993649.db2.gz IVKPNTYTOPZLCK-UHFFFAOYSA-N 1 2 355.398 2.589 20 5 FFBDLO O=C(NCc1ccc(N2CCCCC2)[nH+]c1)NCc1ccccc1[N+](=O)[O-] ZINC000045622774 506994165 /nfs/dbraw/zinc/99/41/65/506994165.db2.gz NBWOJCZECFOIPU-UHFFFAOYSA-N 1 2 369.425 2.980 20 5 FFBDLO C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000014924043 507004579 /nfs/dbraw/zinc/00/45/79/507004579.db2.gz XQMOYGPLRMALGC-INIZCTEOSA-N 1 2 360.458 2.508 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH+](Cc2ccsc2)CC1 ZINC000015106182 507020137 /nfs/dbraw/zinc/02/01/37/507020137.db2.gz RNSDIXNGIJAXHU-UHFFFAOYSA-N 1 2 374.466 2.721 20 5 FFBDLO COc1ccc(CC(=O)Nc2ccccc2-n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000067905859 507048543 /nfs/dbraw/zinc/04/85/43/507048543.db2.gz FNJMWKLMSWDBCT-UHFFFAOYSA-N 1 2 352.350 2.970 20 5 FFBDLO Cc1cc(N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)nc(C(C)C)[nH+]1 ZINC000016103048 507074491 /nfs/dbraw/zinc/07/44/91/507074491.db2.gz ZGMWMXRQYAIGGO-UHFFFAOYSA-N 1 2 369.425 2.779 20 5 FFBDLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)NCc1ccc([N+](=O)[O-])cc1 ZINC000057004105 507143066 /nfs/dbraw/zinc/14/30/66/507143066.db2.gz BNMSXPKQLRKZRE-UHFFFAOYSA-N 1 2 365.393 2.839 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000018236568 507147256 /nfs/dbraw/zinc/14/72/56/507147256.db2.gz QGONELJKGJGMHW-INIZCTEOSA-N 1 2 354.341 2.987 20 5 FFBDLO Cc1cccc2[nH+]c(CNC(=O)NCCc3ccc([N+](=O)[O-])cc3)cn21 ZINC000069082341 507400833 /nfs/dbraw/zinc/40/08/33/507400833.db2.gz NVBOADMSTOOPEO-UHFFFAOYSA-N 1 2 353.382 2.593 20 5 FFBDLO COc1ccc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000024753804 507434644 /nfs/dbraw/zinc/43/46/44/507434644.db2.gz FEEZKTWBQRENAY-UHFFFAOYSA-N 1 2 366.377 2.778 20 5 FFBDLO COc1ccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1[N+](=O)[O-] ZINC000026000487 507551933 /nfs/dbraw/zinc/55/19/33/507551933.db2.gz BKLMFZZHGQPTIG-UHFFFAOYSA-N 1 2 356.382 2.529 20 5 FFBDLO COCC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000048811822 507567384 /nfs/dbraw/zinc/56/73/84/507567384.db2.gz GIMQGAMAMKWKDV-UHFFFAOYSA-N 1 2 357.410 2.990 20 5 FFBDLO COCC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000048811822 507567394 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357.366 2.739 20 5 FFBDLO COc1ccccc1C[N@@H+](CCO)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083170666 508239147 /nfs/dbraw/zinc/23/91/47/508239147.db2.gz BSKGXDUFONTZCC-UHFFFAOYSA-N 1 2 357.366 2.739 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000085638029 508314973 /nfs/dbraw/zinc/31/49/73/508314973.db2.gz WHNVIKIAZCZGTG-UHFFFAOYSA-N 1 2 355.398 2.961 20 5 FFBDLO Cc1c(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000156397836 508414068 /nfs/dbraw/zinc/41/40/68/508414068.db2.gz BRMBBTFUUHLUOI-OAHLLOKOSA-N 1 2 362.430 2.622 20 5 FFBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000367237493 512401235 /nfs/dbraw/zinc/40/12/35/512401235.db2.gz LAQXUBRTKFHXMA-DYVFJYSZSA-N 1 2 372.450 2.644 20 5 FFBDLO CCCC(O)(CCC)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000153080566 508545379 /nfs/dbraw/zinc/54/53/79/508545379.db2.gz AODGGNAAGPETTB-UHFFFAOYSA-N 1 2 360.414 2.842 20 5 FFBDLO CC(C)C[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000134541871 508545871 /nfs/dbraw/zinc/54/58/71/508545871.db2.gz UZKSQAISHXSOQF-INIZCTEOSA-N 1 2 369.849 2.725 20 5 FFBDLO O=C(NCc1ccco1)[C@H]1CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000128156527 508555379 /nfs/dbraw/zinc/55/53/79/508555379.db2.gz CCVKMLVLCNXQFB-NTSMAEHXSA-N 1 2 355.394 2.982 20 5 FFBDLO O=C(NCc1ccco1)[C@H]1CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000128156527 508555380 /nfs/dbraw/zinc/55/53/80/508555380.db2.gz CCVKMLVLCNXQFB-NTSMAEHXSA-N 1 2 355.394 2.982 20 5 FFBDLO Cc1ccc2[nH+]c(CNC(=O)CCNc3ccccc3[N+](=O)[O-])cn2c1 ZINC000117693823 508612372 /nfs/dbraw/zinc/61/23/72/508612372.db2.gz NWUDCKAHBIUXTK-UHFFFAOYSA-N 1 2 353.382 2.669 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3nc(-c4ccsc4)no3)C2)nc1 ZINC000118866604 508688724 /nfs/dbraw/zinc/68/87/24/508688724.db2.gz FTKVGBTWKGPRBI-GFCCVEGCSA-N 1 2 372.410 2.788 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3nc(-c4ccsc4)no3)C2)nc1 ZINC000118866604 508688726 /nfs/dbraw/zinc/68/87/26/508688726.db2.gz FTKVGBTWKGPRBI-GFCCVEGCSA-N 1 2 372.410 2.788 20 5 FFBDLO O=C1NCCCN1C1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000119511982 508810337 /nfs/dbraw/zinc/81/03/37/508810337.db2.gz QHLHETIZUILZNW-UHFFFAOYSA-N 1 2 352.822 2.628 20 5 FFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000130312096 508811450 /nfs/dbraw/zinc/81/14/50/508811450.db2.gz OCUWRLYVWJUQON-CYBMUJFWSA-N 1 2 360.439 2.879 20 5 FFBDLO CC(C)Cn1cc[nH+]c1CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000130830580 508852674 /nfs/dbraw/zinc/85/26/74/508852674.db2.gz HWUOQMCLRZKKQH-UHFFFAOYSA-N 1 2 368.397 2.563 20 5 FFBDLO Cc1ccc(C[NH+]2CCN(CC(=O)Nc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000124703163 508872408 /nfs/dbraw/zinc/87/24/08/508872408.db2.gz JQIIBWNEHASOFC-UHFFFAOYSA-N 1 2 368.437 2.660 20 5 FFBDLO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000131072826 508883804 /nfs/dbraw/zinc/88/38/04/508883804.db2.gz PNEWTYWGXKEJIW-RULNZOCKSA-N 1 2 353.469 2.917 20 5 FFBDLO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000131072826 508883806 /nfs/dbraw/zinc/88/38/06/508883806.db2.gz PNEWTYWGXKEJIW-RULNZOCKSA-N 1 2 353.469 2.917 20 5 FFBDLO O=C(C[N@H+](Cc1ccncc1)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000124888222 508901230 /nfs/dbraw/zinc/90/12/30/508901230.db2.gz BYTFQKAPJQZXNY-UHFFFAOYSA-N 1 2 352.394 2.544 20 5 FFBDLO O=C(C[N@@H+](Cc1ccncc1)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000124888222 508901233 /nfs/dbraw/zinc/90/12/33/508901233.db2.gz BYTFQKAPJQZXNY-UHFFFAOYSA-N 1 2 352.394 2.544 20 5 FFBDLO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000159894068 508907345 /nfs/dbraw/zinc/90/73/45/508907345.db2.gz SZNFSXYXOFMZGI-UHFFFAOYSA-N 1 2 370.409 2.613 20 5 FFBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2ccc(N3CCCC3)nc2)CC1 ZINC000160430920 508986099 /nfs/dbraw/zinc/98/60/99/508986099.db2.gz WTYYQPDVUOOTSE-UHFFFAOYSA-N 1 2 367.453 2.912 20 5 FFBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000155532881 509020673 /nfs/dbraw/zinc/02/06/73/509020673.db2.gz CFQUIAOKWAFCNO-UHFFFAOYSA-N 1 2 370.409 2.706 20 5 FFBDLO CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000155562838 509027669 /nfs/dbraw/zinc/02/76/69/509027669.db2.gz HBLJQVIGIOOOIR-ZDUSSCGKSA-N 1 2 370.247 2.705 20 5 FFBDLO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000155562838 509027671 /nfs/dbraw/zinc/02/76/71/509027671.db2.gz HBLJQVIGIOOOIR-ZDUSSCGKSA-N 1 2 370.247 2.705 20 5 FFBDLO O=C(Cc1ccccc1[N+](=O)[O-])NCCNc1ccc2ccccc2[nH+]1 ZINC000126014806 509054694 /nfs/dbraw/zinc/05/46/94/509054694.db2.gz FFINQDFJSVVRAZ-UHFFFAOYSA-N 1 2 350.378 2.914 20 5 FFBDLO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[C@H]1n1cc[nH+]c1 ZINC000126579369 509098622 /nfs/dbraw/zinc/09/86/22/509098622.db2.gz SFOWAEURGIXSPC-CXAGYDPISA-N 1 2 357.414 2.581 20 5 FFBDLO CC(C)Cn1cc[nH+]c1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000156055667 509118645 /nfs/dbraw/zinc/11/86/45/509118645.db2.gz INICUYUQGKMXJB-UHFFFAOYSA-N 1 2 353.382 2.926 20 5 FFBDLO Cc1nc(C2([NH2+]CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)CCCC2)no1 ZINC000161587395 509133197 /nfs/dbraw/zinc/13/31/97/509133197.db2.gz WFODOTKRWZCFDO-UHFFFAOYSA-N 1 2 373.413 2.982 20 5 FFBDLO CSc1nsc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000127123469 509168290 /nfs/dbraw/zinc/16/82/90/509168290.db2.gz QVINVSTYSAZSIZ-UHFFFAOYSA-N 1 2 362.396 2.606 20 5 FFBDLO COc1cccc(CN(CC[NH+](C)C)C(=O)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000191953588 509260542 /nfs/dbraw/zinc/26/05/42/509260542.db2.gz DNNFOCFCQBWZSF-UHFFFAOYSA-N 1 2 373.409 2.513 20 5 FFBDLO Cn1c2ccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)cc2[nH+]c1C(C)(C)C ZINC000179137883 509281310 /nfs/dbraw/zinc/28/13/10/509281310.db2.gz BDFOAPSIIWTWGO-UHFFFAOYSA-N 1 2 356.386 2.614 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(CC(=O)N2CCCCC2)CC1 ZINC000182586055 509318646 /nfs/dbraw/zinc/31/86/46/509318646.db2.gz PIIXHKJQJVHGFF-KRWDZBQOSA-N 1 2 374.485 2.594 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000182586055 509318651 /nfs/dbraw/zinc/31/86/51/509318651.db2.gz PIIXHKJQJVHGFF-KRWDZBQOSA-N 1 2 374.485 2.594 20 5 FFBDLO Cc1cccn2cc(CNS(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)[nH+]c12 ZINC000192106121 509349745 /nfs/dbraw/zinc/34/97/45/509349745.db2.gz VNXBHEUDYWTBRC-UHFFFAOYSA-N 1 2 374.422 2.646 20 5 FFBDLO CCOC(=O)C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000264189821 509370393 /nfs/dbraw/zinc/37/03/93/509370393.db2.gz MILAKMMZFPHBME-UHFFFAOYSA-N 1 2 359.382 2.820 20 5 FFBDLO CCOC(=O)C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000264189821 509370400 /nfs/dbraw/zinc/37/04/00/509370400.db2.gz MILAKMMZFPHBME-UHFFFAOYSA-N 1 2 359.382 2.820 20 5 FFBDLO C[S@@](=O)c1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000173092506 509387484 /nfs/dbraw/zinc/38/74/84/509387484.db2.gz JZIYULNKIYFZDH-AREMUKBSSA-N 1 2 370.390 2.770 20 5 FFBDLO COC(=O)[C@@H](c1ccccc1C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000248616684 509393695 /nfs/dbraw/zinc/39/36/95/509393695.db2.gz KOQDCDRWKQOBLH-RDTXWAMCSA-N 1 2 370.409 2.699 20 5 FFBDLO COC(=O)[C@@H](c1ccccc1C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000248616684 509393700 /nfs/dbraw/zinc/39/37/00/509393700.db2.gz KOQDCDRWKQOBLH-RDTXWAMCSA-N 1 2 370.409 2.699 20 5 FFBDLO C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000227697640 509414006 /nfs/dbraw/zinc/41/40/06/509414006.db2.gz QTQZVJLAKDUDBI-ZACQAIPSSA-N 1 2 374.485 2.610 20 5 FFBDLO O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000182941641 509508524 /nfs/dbraw/zinc/50/85/24/509508524.db2.gz LFDUPHPRMWAASB-HOTGVXAUSA-N 1 2 369.381 2.565 20 5 FFBDLO COc1cc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc([N+](=O)[O-])c1C ZINC000189340799 509527873 /nfs/dbraw/zinc/52/78/73/509527873.db2.gz FYRIKAUNBILKHW-WBMJQRKESA-N 1 2 358.398 2.832 20 5 FFBDLO CCOC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173472953 509623425 /nfs/dbraw/zinc/62/34/25/509623425.db2.gz FSZTTXIBRHSXKR-YJBOKZPZSA-N 1 2 370.409 2.780 20 5 FFBDLO CCOC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173472953 509623432 /nfs/dbraw/zinc/62/34/32/509623432.db2.gz FSZTTXIBRHSXKR-YJBOKZPZSA-N 1 2 370.409 2.780 20 5 FFBDLO COc1ccccc1C[NH+]1CCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000173489749 509633848 /nfs/dbraw/zinc/63/38/48/509633848.db2.gz IJVWMIUIULAAAQ-UHFFFAOYSA-N 1 2 369.421 2.870 20 5 FFBDLO C[C@@H](c1cccc(O)c1)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000264685950 509646353 /nfs/dbraw/zinc/64/63/53/509646353.db2.gz FDQLUGNCIRPDJE-NSHDSACASA-N 1 2 373.365 2.661 20 5 FFBDLO C[C@@H](c1cccc(O)c1)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000264685950 509646358 /nfs/dbraw/zinc/64/63/58/509646358.db2.gz FDQLUGNCIRPDJE-NSHDSACASA-N 1 2 373.365 2.661 20 5 FFBDLO Cc1ccc(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c(C)[nH+]1 ZINC000176704669 509649680 /nfs/dbraw/zinc/64/96/80/509649680.db2.gz ISKGSPOHBHHTGH-UHFFFAOYSA-N 1 2 355.398 2.961 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+](CC)Cc2ccncc2)c([N+](=O)[O-])c1 ZINC000267912410 509667789 /nfs/dbraw/zinc/66/77/89/509667789.db2.gz ONEDIRLHOSODQS-UHFFFAOYSA-N 1 2 358.398 2.849 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+](CC)Cc2ccncc2)c([N+](=O)[O-])c1 ZINC000267912410 509667799 /nfs/dbraw/zinc/66/77/99/509667799.db2.gz ONEDIRLHOSODQS-UHFFFAOYSA-N 1 2 358.398 2.849 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000183284494 509698322 /nfs/dbraw/zinc/69/83/22/509698322.db2.gz VGNTYIGBWXRRGX-UHFFFAOYSA-N 1 2 355.394 2.567 20 5 FFBDLO COc1ccc(OCC[NH2+]C2(c3noc(C)n3)CCCC2)c([N+](=O)[O-])c1 ZINC000173651413 509700931 /nfs/dbraw/zinc/70/09/31/509700931.db2.gz YVUSELBSHUDTKP-UHFFFAOYSA-N 1 2 362.386 2.733 20 5 FFBDLO Cc1ccc([C@@H](C)NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000193452656 509920619 /nfs/dbraw/zinc/92/06/19/509920619.db2.gz DNEKAOVEMOVZTH-RDTXWAMCSA-N 1 2 361.442 2.724 20 5 FFBDLO Cc1ccc([C@@H](C)NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000193452656 509920626 /nfs/dbraw/zinc/92/06/26/509920626.db2.gz DNEKAOVEMOVZTH-RDTXWAMCSA-N 1 2 361.442 2.724 20 5 FFBDLO CC[C@H]1C[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCS1 ZINC000245466781 509954293 /nfs/dbraw/zinc/95/42/93/509954293.db2.gz ZGIJHQZTLMWHTB-YPMHNXCESA-N 1 2 353.444 2.758 20 5 FFBDLO CC[C@H]1C[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCS1 ZINC000245466781 509954296 /nfs/dbraw/zinc/95/42/96/509954296.db2.gz ZGIJHQZTLMWHTB-YPMHNXCESA-N 1 2 353.444 2.758 20 5 FFBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000180781285 510105551 /nfs/dbraw/zinc/10/55/51/510105551.db2.gz GGWNUESXFXWJCM-CYBMUJFWSA-N 1 2 367.471 2.546 20 5 FFBDLO O=[N+]([O-])c1cccc(N2CCN(Cc3[nH+]ccn3CC(F)(F)F)CC2)c1 ZINC000171378902 510117144 /nfs/dbraw/zinc/11/71/44/510117144.db2.gz JTIIJBSFIMROSY-UHFFFAOYSA-N 1 2 369.347 2.676 20 5 FFBDLO O=C(C[NH+]1CCC(Oc2ccc(F)nc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000190495275 510165198 /nfs/dbraw/zinc/16/51/98/510165198.db2.gz MYLUZABSMFSIHS-UHFFFAOYSA-N 1 2 374.372 2.611 20 5 FFBDLO O=C(Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000265852350 510263553 /nfs/dbraw/zinc/26/35/53/510263553.db2.gz KANLFRKOCZWXTF-KRWDZBQOSA-N 1 2 359.357 2.573 20 5 FFBDLO O=C(Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000265852350 510263563 /nfs/dbraw/zinc/26/35/63/510263563.db2.gz KANLFRKOCZWXTF-KRWDZBQOSA-N 1 2 359.357 2.573 20 5 FFBDLO O=C(Nc1ccc([N+](=O)[O-])cc1F)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000265852353 510264237 /nfs/dbraw/zinc/26/42/37/510264237.db2.gz KANLFRKOCZWXTF-QGZVFWFLSA-N 1 2 359.357 2.573 20 5 FFBDLO O=C(Nc1ccc([N+](=O)[O-])cc1F)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000265852353 510264247 /nfs/dbraw/zinc/26/42/47/510264247.db2.gz KANLFRKOCZWXTF-QGZVFWFLSA-N 1 2 359.357 2.573 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC([C@@H]2CCCO2)CC1 ZINC000187498213 510301547 /nfs/dbraw/zinc/30/15/47/510301547.db2.gz YLBGEQCTBJQNQB-SFHVURJKSA-N 1 2 370.409 2.812 20 5 FFBDLO COc1cc(C[NH2+][C@@H](C)c2nnnn2-c2ccccc2)c([N+](=O)[O-])cc1F ZINC000184408084 510309124 /nfs/dbraw/zinc/30/91/24/510309124.db2.gz LTXOJKHCZDDAMK-NSHDSACASA-N 1 2 372.360 2.569 20 5 FFBDLO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2nccs2)c([N+](=O)[O-])c1 ZINC000184433927 510323743 /nfs/dbraw/zinc/32/37/43/510323743.db2.gz IUZQENOGAULQPG-JTQLQIEISA-N 1 2 350.400 2.739 20 5 FFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)C[C@H](O)C(F)(F)F ZINC000181286151 510338857 /nfs/dbraw/zinc/33/88/57/510338857.db2.gz UDXHQIONWNNQLZ-KCJUWKMLSA-N 1 2 360.292 2.561 20 5 FFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000181286151 510338861 /nfs/dbraw/zinc/33/88/61/510338861.db2.gz UDXHQIONWNNQLZ-KCJUWKMLSA-N 1 2 360.292 2.561 20 5 FFBDLO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000181676112 510534093 /nfs/dbraw/zinc/53/40/93/510534093.db2.gz OHGQDIRTLYLCGU-SFHVURJKSA-N 1 2 355.394 2.731 20 5 FFBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000172199363 510594830 /nfs/dbraw/zinc/59/48/30/510594830.db2.gz CNIONALONJSGGH-HNNXBMFYSA-N 1 2 369.425 2.578 20 5 FFBDLO CN(C)c1[nH+]cccc1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000175373691 510614894 /nfs/dbraw/zinc/61/48/94/510614894.db2.gz PLLOQNCTTURNHU-UHFFFAOYSA-N 1 2 357.414 2.790 20 5 FFBDLO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCN(C/C=C/c3ccccc3)CC2)c1 ZINC000178563405 510665049 /nfs/dbraw/zinc/66/50/49/510665049.db2.gz AFSCNGQZSLGPME-WKOQKXSESA-N 1 2 367.449 2.959 20 5 FFBDLO C[C@@H]([NH2+][C@H](C)c1nc(C(C)(C)C)no1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000185152632 510715945 /nfs/dbraw/zinc/71/59/45/510715945.db2.gz POAHDDJSRWBGMD-GHMZBOCLSA-N 1 2 361.402 2.953 20 5 FFBDLO CC[C@H](c1ccncc1)[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182292529 510844796 /nfs/dbraw/zinc/84/47/96/510844796.db2.gz AUDJPNCUKZUFKS-QGZVFWFLSA-N 1 2 363.439 2.847 20 5 FFBDLO CC[C@H](c1ccncc1)[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182292529 510844799 /nfs/dbraw/zinc/84/47/99/510844799.db2.gz AUDJPNCUKZUFKS-QGZVFWFLSA-N 1 2 363.439 2.847 20 5 FFBDLO Cc1noc(C2(C)CC[NH+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)n1 ZINC000364702195 511029993 /nfs/dbraw/zinc/02/99/93/511029993.db2.gz YDEKLCIATXNFFP-UHFFFAOYSA-N 1 2 373.413 2.587 20 5 FFBDLO CN(C)c1ccc(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c[nH+]1 ZINC000279642665 511159123 /nfs/dbraw/zinc/15/91/23/511159123.db2.gz VWCRFHBCEASHTN-UHFFFAOYSA-N 1 2 366.780 2.707 20 5 FFBDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccncc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000271711254 511296931 /nfs/dbraw/zinc/29/69/31/511296931.db2.gz VEMWNBJMLTZUCT-OAHLLOKOSA-N 1 2 369.425 2.578 20 5 FFBDLO CC(C)(CCC(=O)NCc1[nH+]ccn1CCCc1ccccc1)[N+](=O)[O-] ZINC000295218563 511326164 /nfs/dbraw/zinc/32/61/64/511326164.db2.gz XYBRUVIXOISMRF-UHFFFAOYSA-N 1 2 358.442 2.968 20 5 FFBDLO O=c1[nH]nc([C@@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)o1 ZINC000295392057 511389448 /nfs/dbraw/zinc/38/94/48/511389448.db2.gz RALRVNMONJFCDN-SECBINFHSA-N 1 2 372.303 2.670 20 5 FFBDLO O=c1[nH]nc([C@@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)o1 ZINC000295392057 511389450 /nfs/dbraw/zinc/38/94/50/511389450.db2.gz RALRVNMONJFCDN-SECBINFHSA-N 1 2 372.303 2.670 20 5 FFBDLO COc1cc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc(OC)c1O ZINC000298763282 511402684 /nfs/dbraw/zinc/40/26/84/511402684.db2.gz AZOBUQUKAFBTDC-UHFFFAOYSA-N 1 2 373.409 2.640 20 5 FFBDLO COc1cc(C[N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])cc(OC)c1 ZINC000299131612 511526162 /nfs/dbraw/zinc/52/61/62/511526162.db2.gz MDCUGWXEOZYSTI-UHFFFAOYSA-N 1 2 359.382 2.683 20 5 FFBDLO COc1cc(C[N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])cc(OC)c1 ZINC000299131612 511526164 /nfs/dbraw/zinc/52/61/64/511526164.db2.gz MDCUGWXEOZYSTI-UHFFFAOYSA-N 1 2 359.382 2.683 20 5 FFBDLO C[C@@H]1C[C@H](CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000273553611 511530429 /nfs/dbraw/zinc/53/04/29/511530429.db2.gz MMGNOLVODZAIAJ-ZIAGYGMSSA-N 1 2 358.398 2.716 20 5 FFBDLO COc1cc(C(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)cc([N+](=O)[O-])c1C ZINC000295941391 511562356 /nfs/dbraw/zinc/56/23/56/511562356.db2.gz QCTNOKGQYRXHBO-OAHLLOKOSA-N 1 2 358.398 2.869 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]cc(-c3nc([C@H]4C[N@@H+](C5CC5)CCO4)no3)c2c1 ZINC000273775370 511603956 /nfs/dbraw/zinc/60/39/56/511603956.db2.gz FBDLIEFBVCOIKU-OAHLLOKOSA-N 1 2 355.354 2.662 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]cc(-c3nc([C@H]4C[N@H+](C5CC5)CCO4)no3)c2c1 ZINC000273775370 511603959 /nfs/dbraw/zinc/60/39/59/511603959.db2.gz FBDLIEFBVCOIKU-OAHLLOKOSA-N 1 2 355.354 2.662 20 5 FFBDLO CCn1cnc2c(c1=O)CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)C2 ZINC000280949990 511663816 /nfs/dbraw/zinc/66/38/16/511663816.db2.gz IPVWVADYRIRKIA-UHFFFAOYSA-N 1 2 372.425 2.517 20 5 FFBDLO CCn1cnc2c(c1=O)CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)C2 ZINC000280949990 511663819 /nfs/dbraw/zinc/66/38/19/511663819.db2.gz IPVWVADYRIRKIA-UHFFFAOYSA-N 1 2 372.425 2.517 20 5 FFBDLO O=C(C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000284360485 511696433 /nfs/dbraw/zinc/69/64/33/511696433.db2.gz DJKVKBJNOQLWEQ-CABCVRRESA-N 1 2 353.806 2.830 20 5 FFBDLO O=C(C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000284360485 511696435 /nfs/dbraw/zinc/69/64/35/511696435.db2.gz DJKVKBJNOQLWEQ-CABCVRRESA-N 1 2 353.806 2.830 20 5 FFBDLO O=C(C[N@H+]1CC[C@H](O)C12CCCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000292793324 511721243 /nfs/dbraw/zinc/72/12/43/511721243.db2.gz QVERNMJDORSBTF-AWEZNQCLSA-N 1 2 353.806 2.566 20 5 FFBDLO O=C(C[N@@H+]1CC[C@H](O)C12CCCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000292793324 511721247 /nfs/dbraw/zinc/72/12/47/511721247.db2.gz QVERNMJDORSBTF-AWEZNQCLSA-N 1 2 353.806 2.566 20 5 FFBDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000363926358 511855304 /nfs/dbraw/zinc/85/53/04/511855304.db2.gz VTZXUGSSVSBWRQ-KRWDZBQOSA-N 1 2 357.414 2.721 20 5 FFBDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000363926358 511855308 /nfs/dbraw/zinc/85/53/08/511855308.db2.gz VTZXUGSSVSBWRQ-KRWDZBQOSA-N 1 2 357.414 2.721 20 5 FFBDLO Cn1c2c([nH+]c1[C@@H]1CCCN1c1ccc(C(N)=O)cc1[N+](=O)[O-])CCCC2 ZINC000281515375 511874625 /nfs/dbraw/zinc/87/46/25/511874625.db2.gz PXCQUWGVWFKRJU-INIZCTEOSA-N 1 2 369.425 2.648 20 5 FFBDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)c1ccccc1[N+](=O)[O-] ZINC000274594215 511883749 /nfs/dbraw/zinc/88/37/49/511883749.db2.gz KWXNMLYECNBEPY-HNNXBMFYSA-N 1 2 369.425 2.578 20 5 FFBDLO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000281875242 511996754 /nfs/dbraw/zinc/99/67/54/511996754.db2.gz CVDYUERCWXGVNW-KRWDZBQOSA-N 1 2 373.384 2.882 20 5 FFBDLO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000281875242 511996756 /nfs/dbraw/zinc/99/67/56/511996756.db2.gz CVDYUERCWXGVNW-KRWDZBQOSA-N 1 2 373.384 2.882 20 5 FFBDLO O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000364443607 512109383 /nfs/dbraw/zinc/10/93/83/512109383.db2.gz KHYTXQJJOYAKPY-HZPDHXFCSA-N 1 2 367.833 2.621 20 5 FFBDLO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000375728077 512475771 /nfs/dbraw/zinc/47/57/71/512475771.db2.gz XHWVXWVPWVJFHG-UHFFFAOYSA-N 1 2 369.421 2.942 20 5 FFBDLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccc([N+](=O)[O-])cn1 ZINC000378133640 512606320 /nfs/dbraw/zinc/60/63/20/512606320.db2.gz AJLVQFUZVFMZMX-UHFFFAOYSA-N 1 2 355.398 2.695 20 5 FFBDLO CSc1cccc(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)c1[N+](=O)[O-] ZINC000372263092 512787136 /nfs/dbraw/zinc/78/71/36/512787136.db2.gz UQLFDBAIOSYEFN-UHFFFAOYSA-N 1 2 369.406 2.827 20 5 FFBDLO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000368217865 512850493 /nfs/dbraw/zinc/85/04/93/512850493.db2.gz BCHTVLNNZJLCGY-OWBHPGMISA-N 1 2 354.410 2.890 20 5 FFBDLO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000368292014 512886191 /nfs/dbraw/zinc/88/61/91/512886191.db2.gz BFGZHSDEOBJVKF-LBPRGKRZSA-N 1 2 370.818 2.806 20 5 FFBDLO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[NH+]1[C@H](C)CC[C@H]1C ZINC000411996281 512907396 /nfs/dbraw/zinc/90/73/96/512907396.db2.gz GEQJXDHFJOITQK-UTUOFQBUSA-N 1 2 358.402 2.580 20 5 FFBDLO C[C@]1(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000406059370 512973314 /nfs/dbraw/zinc/97/33/14/512973314.db2.gz LYPLNCKUIIQTHO-IBGZPJMESA-N 1 2 355.394 2.695 20 5 FFBDLO C[C@]1(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000406059370 512973316 /nfs/dbraw/zinc/97/33/16/512973316.db2.gz LYPLNCKUIIQTHO-IBGZPJMESA-N 1 2 355.394 2.695 20 5 FFBDLO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)OCC1CC1 ZINC000412626648 513196085 /nfs/dbraw/zinc/19/60/85/513196085.db2.gz DJKNTKGTZXANIC-UHFFFAOYSA-N 1 2 358.398 2.716 20 5 FFBDLO CCOC(=O)CC(C)(C)N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450502145 513223781 /nfs/dbraw/zinc/22/37/81/513223781.db2.gz PFHAQLXARGLNHE-UHFFFAOYSA-N 1 2 374.397 2.584 20 5 FFBDLO CCN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000446481475 513269530 /nfs/dbraw/zinc/26/95/30/513269530.db2.gz HZDBIIJXPKRMHV-OAHLLOKOSA-N 1 2 358.402 2.537 20 5 FFBDLO CCCCc1noc([C@@H](C)[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000440498108 513336163 /nfs/dbraw/zinc/33/61/63/513336163.db2.gz IZXUBFNCUUKXJW-CHWSQXEVSA-N 1 2 360.418 2.963 20 5 FFBDLO CCCCc1noc([C@@H](C)[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000440498108 513336170 /nfs/dbraw/zinc/33/61/70/513336170.db2.gz IZXUBFNCUUKXJW-CHWSQXEVSA-N 1 2 360.418 2.963 20 5 FFBDLO Cc1cc(N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c(Br)cc1[N+](=O)[O-] ZINC000450794419 513345153 /nfs/dbraw/zinc/34/51/53/513345153.db2.gz NEKCDZJLDISSLT-TXEJJXNPSA-N 1 2 372.263 2.557 20 5 FFBDLO Cc1cc(N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c(Br)cc1[N+](=O)[O-] ZINC000450794419 513345156 /nfs/dbraw/zinc/34/51/56/513345156.db2.gz NEKCDZJLDISSLT-TXEJJXNPSA-N 1 2 372.263 2.557 20 5 FFBDLO O=C(NCC(F)(F)F)[C@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413228019 513533551 /nfs/dbraw/zinc/53/35/51/513533551.db2.gz AZCDSXNIBMMNSA-NSHDSACASA-N 1 2 368.315 2.648 20 5 FFBDLO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc21)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000447677090 513540088 /nfs/dbraw/zinc/54/00/88/513540088.db2.gz SJESMBMPHYMRQE-CQSZACIVSA-N 1 2 352.350 2.765 20 5 FFBDLO CC(C)(C)[C@@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCO1 ZINC000447817119 513580131 /nfs/dbraw/zinc/58/01/31/513580131.db2.gz OUGPLSKWLNYTNB-SFHVURJKSA-N 1 2 363.458 2.678 20 5 FFBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2ccc([N+](=O)[O-])[nH]2)c(C)c1 ZINC000441995201 513655980 /nfs/dbraw/zinc/65/59/80/513655980.db2.gz KATSXJFSNUSZFV-MRXNPFEDSA-N 1 2 353.382 2.908 20 5 FFBDLO O=C(N[C@@H](CO)CC1CCCCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000416329439 513712600 /nfs/dbraw/zinc/71/26/00/513712600.db2.gz XSGYYMSEWWKQNG-MRXNPFEDSA-N 1 2 372.425 2.842 20 5 FFBDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@@H](C)O2 ZINC000448360858 513742626 /nfs/dbraw/zinc/74/26/26/513742626.db2.gz UVXOYBSRHQORFI-PEBVRCNWSA-N 1 2 372.368 2.965 20 5 FFBDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@@H](C)O2 ZINC000448360858 513742632 /nfs/dbraw/zinc/74/26/32/513742632.db2.gz UVXOYBSRHQORFI-PEBVRCNWSA-N 1 2 372.368 2.965 20 5 FFBDLO CCO[C@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000451552137 513827522 /nfs/dbraw/zinc/82/75/22/513827522.db2.gz YFWCMGPZTAODCY-NHYWBVRUSA-N 1 2 355.822 2.934 20 5 FFBDLO CCO[C@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000451552137 513827526 /nfs/dbraw/zinc/82/75/26/513827526.db2.gz YFWCMGPZTAODCY-NHYWBVRUSA-N 1 2 355.822 2.934 20 5 FFBDLO Cc1c(NC(=O)CC[NH2+][C@H](C(=O)OC(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000451593452 513855464 /nfs/dbraw/zinc/85/54/64/513855464.db2.gz PZFYQHVWMPUSTI-KRWDZBQOSA-N 1 2 365.430 2.798 20 5 FFBDLO C[N@H+](Cc1nc(CCNc2ccccc2[N+](=O)[O-])no1)[C@@H]1CCSC1 ZINC000443210384 513902144 /nfs/dbraw/zinc/90/21/44/513902144.db2.gz VPPNDGKDGJHUML-GFCCVEGCSA-N 1 2 363.443 2.570 20 5 FFBDLO C[N@@H+](Cc1nc(CCNc2ccccc2[N+](=O)[O-])no1)[C@@H]1CCSC1 ZINC000443210384 513902153 /nfs/dbraw/zinc/90/21/53/513902153.db2.gz VPPNDGKDGJHUML-GFCCVEGCSA-N 1 2 363.443 2.570 20 5 FFBDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000413965603 513906493 /nfs/dbraw/zinc/90/64/93/513906493.db2.gz IEXVVXSHNXVWPP-UHFFFAOYSA-N 1 2 363.439 2.650 20 5 FFBDLO COc1cc[nH+]cc1CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000431495280 513912008 /nfs/dbraw/zinc/91/20/08/513912008.db2.gz OJKGVBATNGGPQL-UHFFFAOYSA-N 1 2 367.365 2.575 20 5 FFBDLO CCc1oc(C(=O)OC)cc1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000426377554 513920788 /nfs/dbraw/zinc/92/07/88/513920788.db2.gz IRYOLQFHEIAADY-UHFFFAOYSA-N 1 2 373.409 2.859 20 5 FFBDLO CC(C)[N@@H+]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3O)sc2C1 ZINC000436918821 514034909 /nfs/dbraw/zinc/03/49/09/514034909.db2.gz KLTFQCNLQGYJHU-UHFFFAOYSA-N 1 2 362.411 2.776 20 5 FFBDLO CC(C)[N@H+]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3O)sc2C1 ZINC000436918821 514034911 /nfs/dbraw/zinc/03/49/11/514034911.db2.gz KLTFQCNLQGYJHU-UHFFFAOYSA-N 1 2 362.411 2.776 20 5 FFBDLO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000436958346 514049963 /nfs/dbraw/zinc/04/99/63/514049963.db2.gz GWDXAMRIEBCKMD-GDBMZVCRSA-N 1 2 369.421 2.941 20 5 FFBDLO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000436958346 514049966 /nfs/dbraw/zinc/04/99/66/514049966.db2.gz GWDXAMRIEBCKMD-GDBMZVCRSA-N 1 2 369.421 2.941 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C1CC1 ZINC000451929999 514078492 /nfs/dbraw/zinc/07/84/92/514078492.db2.gz UCCARAXDZZAWCV-MRXNPFEDSA-N 1 2 366.381 2.600 20 5 FFBDLO CC(C)[C@@H]1[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC12CCC2 ZINC000427187887 514143934 /nfs/dbraw/zinc/14/39/34/514143934.db2.gz UHHJQRSMWPDFLV-INIZCTEOSA-N 1 2 352.456 2.879 20 5 FFBDLO CC(C)[C@@H]1[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC12CCC2 ZINC000427187887 514143942 /nfs/dbraw/zinc/14/39/42/514143942.db2.gz UHHJQRSMWPDFLV-INIZCTEOSA-N 1 2 352.456 2.879 20 5 FFBDLO C[C@@H]1CN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)[C@@H](C)C[N@@H+]1C ZINC000444290372 514182774 /nfs/dbraw/zinc/18/27/74/514182774.db2.gz PBBOIEOLZGCQST-OLZOCXBDSA-N 1 2 367.424 2.985 20 5 FFBDLO C[C@@H]1CN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)[C@@H](C)C[N@H+]1C ZINC000444290372 514182777 /nfs/dbraw/zinc/18/27/77/514182777.db2.gz PBBOIEOLZGCQST-OLZOCXBDSA-N 1 2 367.424 2.985 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCOC[C@@H](C2CCC2)C1 ZINC000452124457 514206849 /nfs/dbraw/zinc/20/68/49/514206849.db2.gz OEJXBGKFGKCGBD-INIZCTEOSA-N 1 2 370.409 2.669 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H](c4nncn4C4CC4)C3)nc2c1 ZINC000444656724 514284662 /nfs/dbraw/zinc/28/46/62/514284662.db2.gz HURQZZNQXVVSFU-GFCCVEGCSA-N 1 2 367.413 2.777 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H](c4nncn4C4CC4)C3)nc2c1 ZINC000444656724 514284670 /nfs/dbraw/zinc/28/46/70/514284670.db2.gz HURQZZNQXVVSFU-GFCCVEGCSA-N 1 2 367.413 2.777 20 5 FFBDLO COc1ccc(N2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)nc1 ZINC000449767004 514346215 /nfs/dbraw/zinc/34/62/15/514346215.db2.gz PJEXJMSXLCFWHS-GQCTYLIASA-N 1 2 354.410 2.834 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000452679349 514453373 /nfs/dbraw/zinc/45/33/73/514453373.db2.gz JXFNEEZDSZYGOY-IIDMSEBBSA-N 1 2 370.409 2.546 20 5 FFBDLO CC(C)[C@@H]1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000452817655 514505794 /nfs/dbraw/zinc/50/57/94/514505794.db2.gz CUHRKLUUZWBQEF-KSSFIOAISA-N 1 2 372.425 2.962 20 5 FFBDLO O=C(NCCC[C@H]1CCCC[C@H]1O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450174352 514521826 /nfs/dbraw/zinc/52/18/26/514521826.db2.gz SSFNXPKOXYHEIB-RDTXWAMCSA-N 1 2 372.425 2.842 20 5 FFBDLO CO[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1(C)C ZINC000452869384 514525554 /nfs/dbraw/zinc/52/55/54/514525554.db2.gz QLDPGXBNWAOPHP-INIZCTEOSA-N 1 2 358.398 2.668 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000439314381 514531126 /nfs/dbraw/zinc/53/11/26/514531126.db2.gz JKWWPWFRCNWLSE-UHFFFAOYSA-N 1 2 355.398 2.961 20 5 FFBDLO CC(C)[C@H](CO)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)C ZINC000452957598 514574100 /nfs/dbraw/zinc/57/41/00/514574100.db2.gz JGKXWJHFJQPNKW-YJBOKZPZSA-N 1 2 374.441 2.799 20 5 FFBDLO CC(C)(C)CN1CCC[C@@H]([NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1=O ZINC000461401590 514596297 /nfs/dbraw/zinc/59/62/97/514596297.db2.gz LVCWSAYATGPMDZ-GOSISDBHSA-N 1 2 374.485 2.754 20 5 FFBDLO CC(C)OC(=O)[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(C)C ZINC000453315599 514598971 /nfs/dbraw/zinc/59/89/71/514598971.db2.gz GRMCQKPCJANZKS-GUYCJALGSA-N 1 2 365.430 2.878 20 5 FFBDLO COc1cc(C[NH+]2CCN(Cc3nc(C)c(C)o3)CC2)ccc1[N+](=O)[O-] ZINC000489138982 514725313 /nfs/dbraw/zinc/72/53/13/514725313.db2.gz MYBYXAHNMLNAGW-UHFFFAOYSA-N 1 2 360.414 2.526 20 5 FFBDLO CCOC(=O)C1(COC)CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000475625858 514740002 /nfs/dbraw/zinc/74/00/02/514740002.db2.gz PELQHIKMLBTWRG-UHFFFAOYSA-N 1 2 354.378 2.526 20 5 FFBDLO C[C@@H]1C[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H](C)S1=O ZINC000484710766 514759400 /nfs/dbraw/zinc/75/94/00/514759400.db2.gz GWGFGMSGKHOAJN-CHWSQXEVSA-N 1 2 363.439 2.634 20 5 FFBDLO COc1cc(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)ccc1[N+](=O)[O-] ZINC000489243964 514767282 /nfs/dbraw/zinc/76/72/82/514767282.db2.gz AMMMKWMOIRVAIK-UHFFFAOYSA-N 1 2 362.817 2.974 20 5 FFBDLO CCOc1cc(C[N@H+](C)Cc2c([N+](=O)[O-])ncn2C)ccc1OC(F)F ZINC000475754733 514796065 /nfs/dbraw/zinc/79/60/65/514796065.db2.gz LIJUCCMZHXYDRM-UHFFFAOYSA-N 1 2 370.356 2.960 20 5 FFBDLO CCOc1cc(C[N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)ccc1OC(F)F ZINC000475754733 514796067 /nfs/dbraw/zinc/79/60/67/514796067.db2.gz LIJUCCMZHXYDRM-UHFFFAOYSA-N 1 2 370.356 2.960 20 5 FFBDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000476131028 514925358 /nfs/dbraw/zinc/92/53/58/514925358.db2.gz COVXMCHAESDBOW-UHFFFAOYSA-N 1 2 374.347 2.890 20 5 FFBDLO CCOC(=O)C[C@@H](C)Nc1cc(CC)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000471737080 514995732 /nfs/dbraw/zinc/99/57/32/514995732.db2.gz NHMAHESSPIFPJH-GFCCVEGCSA-N 1 2 358.398 2.790 20 5 FFBDLO O=[N+]([O-])c1ccc(NCCNc2cccc[nH+]2)nc1OCc1ccccc1 ZINC000462442376 515053393 /nfs/dbraw/zinc/05/33/93/515053393.db2.gz STZQEGICMCKFMC-UHFFFAOYSA-N 1 2 365.393 2.910 20 5 FFBDLO C[C@@H]1C[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000456396523 515155430 /nfs/dbraw/zinc/15/54/30/515155430.db2.gz BBTYUTQTWKXHHR-PRHODGIISA-N 1 2 365.187 2.990 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCc2cn3c(cccc3C)[nH+]2)c1C ZINC000480974870 515156304 /nfs/dbraw/zinc/15/63/04/515156304.db2.gz AUVLKURYFVHVOQ-UHFFFAOYSA-N 1 2 374.422 2.646 20 5 FFBDLO CN(C)c1[nH]c2ccc(NC(=O)CNc3ccccc3[N+](=O)[O-])cc2[nH+]1 ZINC000468216730 515267519 /nfs/dbraw/zinc/26/75/19/515267519.db2.gz UCXGMXJXLUTMQS-UHFFFAOYSA-N 1 2 354.370 2.588 20 5 FFBDLO CNc1c(C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cccc1[N+](=O)[O-] ZINC000462922246 515300442 /nfs/dbraw/zinc/30/04/42/515300442.db2.gz MFSGKMAZGFWUQI-UHFFFAOYSA-N 1 2 358.398 2.929 20 5 FFBDLO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2Nc2ccc(N3CCOCC3)c[nH+]2)n1 ZINC000472626210 515341703 /nfs/dbraw/zinc/34/17/03/515341703.db2.gz BZGQHBOWHSSXHL-HOTGVXAUSA-N 1 2 372.429 2.619 20 5 FFBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@@H]1COc2ccccc2O1 ZINC000510284433 515494316 /nfs/dbraw/zinc/49/43/16/515494316.db2.gz TYVPBCPGHGQEEX-CYBMUJFWSA-N 1 2 354.366 2.743 20 5 FFBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@@H]1COc2ccccc2O1 ZINC000510284433 515494323 /nfs/dbraw/zinc/49/43/23/515494323.db2.gz TYVPBCPGHGQEEX-CYBMUJFWSA-N 1 2 354.366 2.743 20 5 FFBDLO Cc1noc(C2(C)CC[NH+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])CC2)n1 ZINC000510400887 515529355 /nfs/dbraw/zinc/52/93/55/515529355.db2.gz FTOJTCWJRCPXBV-UHFFFAOYSA-N 1 2 373.413 2.587 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)s1 ZINC000463864026 515647273 /nfs/dbraw/zinc/64/72/73/515647273.db2.gz IYYAQBVKFVBLPE-UHFFFAOYSA-N 1 2 364.408 2.525 20 5 FFBDLO CC(C)c1ccc(C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000469064454 515653912 /nfs/dbraw/zinc/65/39/12/515653912.db2.gz ZNUIWCQUVAYXRL-UHFFFAOYSA-N 1 2 363.458 2.901 20 5 FFBDLO CC(C)c1ccc(C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000469064454 515653919 /nfs/dbraw/zinc/65/39/19/515653919.db2.gz ZNUIWCQUVAYXRL-UHFFFAOYSA-N 1 2 363.458 2.901 20 5 FFBDLO COCCOc1ccc(C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000459616951 515696846 /nfs/dbraw/zinc/69/68/46/515696846.db2.gz ACQKQCYCDRNYGO-UHFFFAOYSA-N 1 2 358.394 2.883 20 5 FFBDLO Cc1cc(Cl)ccc1C[NH+]1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000511075513 515769339 /nfs/dbraw/zinc/76/93/39/515769339.db2.gz ZKZKBTBFSPDURK-UHFFFAOYSA-N 1 2 363.849 2.571 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000494672800 515918289 /nfs/dbraw/zinc/91/82/89/515918289.db2.gz IHBYUKHOCCXQPD-UHFFFAOYSA-N 1 2 371.393 2.688 20 5 FFBDLO CC(C)[NH+]1CC(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000457714853 516090895 /nfs/dbraw/zinc/09/08/95/516090895.db2.gz DMSKHKQNNZIZFZ-UHFFFAOYSA-N 1 2 353.397 2.643 20 5 FFBDLO CC(C)c1ccc(C[N@@H+]2CCCC[C@@H]2CNS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000507120093 516096612 /nfs/dbraw/zinc/09/66/12/516096612.db2.gz ZPVYNIISYQBNGU-OAHLLOKOSA-N 1 2 369.487 2.622 20 5 FFBDLO CC(C)c1ccc(C[N@H+]2CCCC[C@@H]2CNS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000507120093 516096620 /nfs/dbraw/zinc/09/66/20/516096620.db2.gz ZPVYNIISYQBNGU-OAHLLOKOSA-N 1 2 369.487 2.622 20 5 FFBDLO CN(C(=O)C[N@H+](C)C[C@H]1OCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000507266579 516145917 /nfs/dbraw/zinc/14/59/17/516145917.db2.gz YFOAEFCHEKFREQ-LJQANCHMSA-N 1 2 369.421 2.803 20 5 FFBDLO CN(C(=O)C[N@@H+](C)C[C@H]1OCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000507266579 516145924 /nfs/dbraw/zinc/14/59/24/516145924.db2.gz YFOAEFCHEKFREQ-LJQANCHMSA-N 1 2 369.421 2.803 20 5 FFBDLO C[NH+](C)[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000523741902 516565810 /nfs/dbraw/zinc/56/58/10/516565810.db2.gz FHGXHRYQHKGNDV-GFCCVEGCSA-N 1 2 355.366 2.967 20 5 FFBDLO Cc1ccn2cc(CNc3c(Br)cncc3[N+](=O)[O-])[nH+]c2c1 ZINC000536227570 516686368 /nfs/dbraw/zinc/68/63/68/516686368.db2.gz YCZJQZGZWUWSTN-UHFFFAOYSA-N 1 2 362.187 2.742 20 5 FFBDLO CC(C)c1cnc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000544595923 516828553 /nfs/dbraw/zinc/82/85/53/516828553.db2.gz JPJGBMYIIOVUTA-UHFFFAOYSA-N 1 2 369.468 2.738 20 5 FFBDLO CN(C(=O)[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000555500135 516945938 /nfs/dbraw/zinc/94/59/38/516945938.db2.gz DPGKMUMZVSDPBY-CQSZACIVSA-N 1 2 355.394 2.785 20 5 FFBDLO CN(C(=O)[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000555500135 516945944 /nfs/dbraw/zinc/94/59/44/516945944.db2.gz DPGKMUMZVSDPBY-CQSZACIVSA-N 1 2 355.394 2.785 20 5 FFBDLO Cc1cc(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc(C)c1O ZINC000552141668 517105130 /nfs/dbraw/zinc/10/51/30/517105130.db2.gz PEZKJCFPYOUFKH-UHFFFAOYSA-N 1 2 369.421 2.875 20 5 FFBDLO Cc1c(Br)c(N2CC[C@@H]([NH+]3CC=CC3)C2)ncc1[N+](=O)[O-] ZINC000541578269 517120874 /nfs/dbraw/zinc/12/08/74/517120874.db2.gz ITVZFNZDUPEKKL-LLVKDONJSA-N 1 2 353.220 2.511 20 5 FFBDLO COc1ccc2c(c1)CCC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000532950219 517219673 /nfs/dbraw/zinc/21/96/73/517219673.db2.gz BHDJUGSVYYMVQX-UHFFFAOYSA-N 1 2 355.394 2.990 20 5 FFBDLO COc1ccc2c(c1)CCC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000532950219 517219679 /nfs/dbraw/zinc/21/96/79/517219679.db2.gz BHDJUGSVYYMVQX-UHFFFAOYSA-N 1 2 355.394 2.990 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000541960604 517310763 /nfs/dbraw/zinc/31/07/63/517310763.db2.gz SKKLPEHQHMENJK-LLVKDONJSA-N 1 2 366.324 2.559 20 5 FFBDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000526996409 517440364 /nfs/dbraw/zinc/44/03/64/517440364.db2.gz HIGVHUIRYJYQSW-ZDUSSCGKSA-N 1 2 372.425 2.741 20 5 FFBDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000526996409 517440375 /nfs/dbraw/zinc/44/03/75/517440375.db2.gz HIGVHUIRYJYQSW-ZDUSSCGKSA-N 1 2 372.425 2.741 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000533427612 517458531 /nfs/dbraw/zinc/45/85/31/517458531.db2.gz QKYDHNZTSNOZFD-GRYCIOLGSA-N 1 2 353.444 2.756 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000533427612 517458545 /nfs/dbraw/zinc/45/85/45/517458545.db2.gz QKYDHNZTSNOZFD-GRYCIOLGSA-N 1 2 353.444 2.756 20 5 FFBDLO Cc1ccc([C@@H](C)[NH2+]CC2=Nc3ccccc3S(=O)(=O)N2)cc1[N+](=O)[O-] ZINC000538278042 517536523 /nfs/dbraw/zinc/53/65/23/517536523.db2.gz IXFKAHRRDRJXIR-GFCCVEGCSA-N 1 2 374.422 2.576 20 5 FFBDLO O=[N+]([O-])c1ccccc1NCCc1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000546308901 517633806 /nfs/dbraw/zinc/63/38/06/517633806.db2.gz ZUKDFKOTEXYLOZ-UHFFFAOYSA-N 1 2 364.365 2.871 20 5 FFBDLO CCOC(=O)Cn1nc(C)c(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1C ZINC000527366591 517661364 /nfs/dbraw/zinc/66/13/64/517661364.db2.gz AWVQLMUDACDYNK-UHFFFAOYSA-N 1 2 372.425 2.530 20 5 FFBDLO CCOC(=O)Cn1nc(C)c(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1C ZINC000527366591 517661372 /nfs/dbraw/zinc/66/13/72/517661372.db2.gz AWVQLMUDACDYNK-UHFFFAOYSA-N 1 2 372.425 2.530 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@H](O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000560528915 517875102 /nfs/dbraw/zinc/87/51/02/517875102.db2.gz RUUHXWRGGFUDKH-ZWKOTPCHSA-N 1 2 358.442 2.949 20 5 FFBDLO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000560798952 518034491 /nfs/dbraw/zinc/03/44/91/518034491.db2.gz AYHNOEQDRKLTLT-SECBINFHSA-N 1 2 365.187 2.755 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000557497978 518038720 /nfs/dbraw/zinc/03/87/20/518038720.db2.gz PLKLXXSLOXCDLV-QGZVFWFLSA-N 1 2 353.382 2.551 20 5 FFBDLO CN(C)c1ccccc1C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000550472706 518076751 /nfs/dbraw/zinc/07/67/51/518076751.db2.gz ZFRUIXGMKPCXFE-UHFFFAOYSA-N 1 2 368.437 2.619 20 5 FFBDLO Cc1c(Br)c(NCc2ccc(N(C)C)[nH+]c2)ncc1[N+](=O)[O-] ZINC000543450906 518098270 /nfs/dbraw/zinc/09/82/70/518098270.db2.gz GLPZJMXABMRFCQ-UHFFFAOYSA-N 1 2 366.219 2.556 20 5 FFBDLO O=C(NC1(C(F)(F)F)CCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000539780503 518160085 /nfs/dbraw/zinc/16/00/85/518160085.db2.gz AOXSQHUWJQSXPR-UHFFFAOYSA-N 1 2 354.288 2.995 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cnc4ccc(Cl)cn34)C2)nc1 ZINC000539838707 518170536 /nfs/dbraw/zinc/17/05/36/518170536.db2.gz WIEVGBUKDOXJBV-CYBMUJFWSA-N 1 2 372.816 2.977 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cnc4ccc(Cl)cn34)C2)nc1 ZINC000539838707 518170539 /nfs/dbraw/zinc/17/05/39/518170539.db2.gz WIEVGBUKDOXJBV-CYBMUJFWSA-N 1 2 372.816 2.977 20 5 FFBDLO Cc1noc(C)c1CO[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000567012413 518309738 /nfs/dbraw/zinc/30/97/38/518309738.db2.gz KOBWRPHIGWNXPA-CQSZACIVSA-N 1 2 371.397 2.867 20 5 FFBDLO Cc1noc(C)c1CO[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000567012413 518309743 /nfs/dbraw/zinc/30/97/43/518309743.db2.gz KOBWRPHIGWNXPA-CQSZACIVSA-N 1 2 371.397 2.867 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCOC[C@H]1CC1CCC1 ZINC000578987152 518468576 /nfs/dbraw/zinc/46/85/76/518468576.db2.gz UZUDKZXEBVEXDB-MRXNPFEDSA-N 1 2 370.409 2.812 20 5 FFBDLO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000581972731 518525856 /nfs/dbraw/zinc/52/58/56/518525856.db2.gz DDQMCJMYTMVIIA-SFHVURJKSA-N 1 2 372.421 2.846 20 5 FFBDLO Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000581972731 518525864 /nfs/dbraw/zinc/52/58/64/518525864.db2.gz DDQMCJMYTMVIIA-SFHVURJKSA-N 1 2 372.421 2.846 20 5 FFBDLO COc1cccc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)c1[N+](=O)[O-] ZINC000582100556 518586412 /nfs/dbraw/zinc/58/64/12/518586412.db2.gz OMIXBZAQHSKCOE-INIZCTEOSA-N 1 2 366.377 2.856 20 5 FFBDLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000587045274 518674395 /nfs/dbraw/zinc/67/43/95/518674395.db2.gz KXPJNVPSWCFZJL-GFCCVEGCSA-N 1 2 369.406 2.660 20 5 FFBDLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000587051292 518674431 /nfs/dbraw/zinc/67/44/31/518674431.db2.gz JSNIZFAKSFCKHF-GFCCVEGCSA-N 1 2 369.406 2.660 20 5 FFBDLO Cc1cc([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc(C)c1O ZINC000579825462 518874284 /nfs/dbraw/zinc/87/42/84/518874284.db2.gz ZXEBPLAAQMXOHG-UHFFFAOYSA-N 1 2 350.396 2.803 20 5 FFBDLO COc1cccc(-c2nc(Cc3cn4ccccc4[nH+]3)no2)c1[N+](=O)[O-] ZINC000589079401 518910185 /nfs/dbraw/zinc/91/01/85/518910185.db2.gz PXRDMAXUKDIVNZ-UHFFFAOYSA-N 1 2 351.322 2.892 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1 ZINC000589521276 519023744 /nfs/dbraw/zinc/02/37/44/519023744.db2.gz PABYLVBNTBMYNI-SJORKVTESA-N 1 2 360.410 2.915 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1 ZINC000589521276 519023749 /nfs/dbraw/zinc/02/37/49/519023749.db2.gz PABYLVBNTBMYNI-SJORKVTESA-N 1 2 360.410 2.915 20 5 FFBDLO COc1cccc2c(N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)cc[nH+]c12 ZINC000568586064 519111840 /nfs/dbraw/zinc/11/18/40/519111840.db2.gz JXOOUMYIXWLREC-UHFFFAOYSA-N 1 2 365.393 2.873 20 5 FFBDLO O=C(Nc1ccn2cc[nH+]c2c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000571724401 519239619 /nfs/dbraw/zinc/23/96/19/519239619.db2.gz ITNWYTZODFCQGW-UHFFFAOYSA-N 1 2 353.338 2.669 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)cc(-c2nc([C@@H]3C[N@@H+](C4CC4)CCO3)no2)c1 ZINC000569327781 519494128 /nfs/dbraw/zinc/49/41/28/519494128.db2.gz IEQNBRPRZOBOBY-ZDUSSCGKSA-N 1 2 350.762 2.834 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)cc(-c2nc([C@@H]3C[N@H+](C4CC4)CCO3)no2)c1 ZINC000569327781 519494131 /nfs/dbraw/zinc/49/41/31/519494131.db2.gz IEQNBRPRZOBOBY-ZDUSSCGKSA-N 1 2 350.762 2.834 20 5 FFBDLO C[C@@](CO)([NH2+]Cc1cc(F)cc2c1OCOC2)c1cccc([N+](=O)[O-])c1 ZINC000602965805 519997283 /nfs/dbraw/zinc/99/72/83/519997283.db2.gz OQYYCEKGEZPGQK-SFHVURJKSA-N 1 2 362.357 2.598 20 5 FFBDLO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1nnc([C@H]2CCCO2)[nH]1)C1CC1 ZINC000594513911 520009986 /nfs/dbraw/zinc/00/99/86/520009986.db2.gz UUKNJLORFHAFNU-GOEBONIOSA-N 1 2 357.414 2.675 20 5 FFBDLO Cc1nc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000612576167 520030783 /nfs/dbraw/zinc/03/07/83/520030783.db2.gz QWMFPAGHYHCSJY-JTQLQIEISA-N 1 2 369.468 2.793 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000594709270 520105290 /nfs/dbraw/zinc/10/52/90/520105290.db2.gz FETOTYGKJUWOIS-VHSXEESVSA-N 1 2 350.400 2.738 20 5 FFBDLO Cc1nn(CCC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c(C)c1[N+](=O)[O-] ZINC000608805545 520133241 /nfs/dbraw/zinc/13/32/41/520133241.db2.gz MILRMNMSHLDKLU-UHFFFAOYSA-N 1 2 372.360 2.762 20 5 FFBDLO Cc1cn2cc(NC(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)ccc2[nH+]1 ZINC000608944016 520165741 /nfs/dbraw/zinc/16/57/41/520165741.db2.gz UEIFKRLECFGANT-UHFFFAOYSA-N 1 2 354.322 2.574 20 5 FFBDLO CC1(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCCC1 ZINC000600486954 520289170 /nfs/dbraw/zinc/28/91/70/520289170.db2.gz UCILORSCNUXEJS-UHFFFAOYSA-N 1 2 356.382 2.660 20 5 FFBDLO CC1CCN(c2ccc(C(=O)N(C)Cc3c[nH+]c[nH]3)cc2[N+](=O)[O-])CC1 ZINC000597865721 520292634 /nfs/dbraw/zinc/29/26/34/520292634.db2.gz VLFKUWUSMDGLHA-UHFFFAOYSA-N 1 2 357.414 2.826 20 5 FFBDLO CC1CCN(c2ccc(C(=O)N(C)Cc3c[nH]c[nH+]3)cc2[N+](=O)[O-])CC1 ZINC000597865721 520292638 /nfs/dbraw/zinc/29/26/38/520292638.db2.gz VLFKUWUSMDGLHA-UHFFFAOYSA-N 1 2 357.414 2.826 20 5 FFBDLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609441351 520312748 /nfs/dbraw/zinc/31/27/48/520312748.db2.gz ICIBONYCYDWFSG-UHFFFAOYSA-N 1 2 368.368 2.951 20 5 FFBDLO C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000603682765 520341180 /nfs/dbraw/zinc/34/11/80/520341180.db2.gz VDSWHUAIQDGSPO-ZACQAIPSSA-N 1 2 374.485 2.610 20 5 FFBDLO CCc1ccc(S(=O)(=O)Nc2cccc3c2C[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000592384108 520360620 /nfs/dbraw/zinc/36/06/20/520360620.db2.gz DKUREHSZJUNUFU-UHFFFAOYSA-N 1 2 361.423 2.903 20 5 FFBDLO CCc1ccc(S(=O)(=O)Nc2cccc3c2C[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000592384108 520360635 /nfs/dbraw/zinc/36/06/35/520360635.db2.gz DKUREHSZJUNUFU-UHFFFAOYSA-N 1 2 361.423 2.903 20 5 FFBDLO C[NH+](C)[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])c1c(F)cccc1F ZINC000609670229 520400593 /nfs/dbraw/zinc/40/05/93/520400593.db2.gz HFAUKBSBZGNJLF-OAHLLOKOSA-N 1 2 364.352 2.687 20 5 FFBDLO COc1cc(CN(C)Cc2[nH]cc[nH+]2)c([N+](=O)[O-])cc1OCC(F)F ZINC000595399728 520447614 /nfs/dbraw/zinc/44/76/14/520447614.db2.gz RQNMFGCOUDGMNP-UHFFFAOYSA-N 1 2 356.329 2.602 20 5 FFBDLO CN(Cc1[nH]cc[nH+]1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000595402263 520448173 /nfs/dbraw/zinc/44/81/73/520448173.db2.gz XHNFVAFYDNYENG-UHFFFAOYSA-N 1 2 372.166 2.555 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](C)c2nnc3n2CCCCC3)c1 ZINC000595431650 520466423 /nfs/dbraw/zinc/46/64/23/520466423.db2.gz DMIGYCKUKOAADK-GFCCVEGCSA-N 1 2 373.413 2.550 20 5 FFBDLO O=[N+]([O-])c1ccc(CCO)c(-c2ccc(N[C@H]3CCCC[C@@H]3O)[nH+]c2)c1 ZINC000600791194 520471486 /nfs/dbraw/zinc/47/14/86/520471486.db2.gz DSIRIKTWBHIIPR-ROUUACIJSA-N 1 2 357.410 2.907 20 5 FFBDLO COC(=O)C[C@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)c1ccncc1 ZINC000595486634 520502797 /nfs/dbraw/zinc/50/27/97/520502797.db2.gz OZQRFJBUFLCYNB-SFHVURJKSA-N 1 2 359.382 2.567 20 5 FFBDLO C[C@@H]1CC2(CN1C(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)CCOCC2 ZINC000592722361 520543567 /nfs/dbraw/zinc/54/35/67/520543567.db2.gz VMODPRFTQHNXOM-CQSZACIVSA-N 1 2 370.409 2.812 20 5 FFBDLO C[C@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000595584392 520569339 /nfs/dbraw/zinc/56/93/39/520569339.db2.gz DGSMTHLSIMRUPQ-JTQLQIEISA-N 1 2 351.794 2.585 20 5 FFBDLO O=[N+]([O-])c1ccn(CC[NH+]2CCN(c3ccc(Cl)cc3Cl)CC2)n1 ZINC000595657988 520629548 /nfs/dbraw/zinc/62/95/48/520629548.db2.gz GJKIXPXKFRADFB-UHFFFAOYSA-N 1 2 370.240 2.920 20 5 FFBDLO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCc1[nH+]ccn1CC(F)(F)F ZINC000601111305 520642024 /nfs/dbraw/zinc/64/20/24/520642024.db2.gz RJIQMMYQCLKCGJ-UHFFFAOYSA-N 1 2 372.229 2.718 20 5 FFBDLO CCOc1ccc(NC(=O)C[NH+]2C[C@H](C)S[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000610394955 520662817 /nfs/dbraw/zinc/66/28/17/520662817.db2.gz UWBZLHXUHCLFKT-RYUDHWBXSA-N 1 2 353.444 2.758 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](CCO)c2ccccc2F)c1 ZINC000593035898 520697709 /nfs/dbraw/zinc/69/77/09/520697709.db2.gz UVBOZULUOMSAKK-MRXNPFEDSA-N 1 2 362.357 2.734 20 5 FFBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593050363 520708932 /nfs/dbraw/zinc/70/89/32/520708932.db2.gz RVAVGODFKVGFQE-UHFFFAOYSA-N 1 2 374.294 2.694 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](OC(C)C)C2)c([N+](=O)[O-])c1 ZINC000593055977 520712861 /nfs/dbraw/zinc/71/28/61/520712861.db2.gz WKAOFMUHDGDNII-UKRRQHHQSA-N 1 2 365.430 2.820 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](OC(C)C)C2)c([N+](=O)[O-])c1 ZINC000593055977 520712864 /nfs/dbraw/zinc/71/28/64/520712864.db2.gz WKAOFMUHDGDNII-UKRRQHHQSA-N 1 2 365.430 2.820 20 5 FFBDLO C[C@@H](CO)C1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000593084909 520732984 /nfs/dbraw/zinc/73/29/84/520732984.db2.gz RVXSAWPKKYELTO-NSHDSACASA-N 1 2 355.822 2.527 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595821772 520744931 /nfs/dbraw/zinc/74/49/31/520744931.db2.gz FUTGUSUYUWCFHI-CYBMUJFWSA-N 1 2 359.426 2.813 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595821772 520744937 /nfs/dbraw/zinc/74/49/37/520744937.db2.gz FUTGUSUYUWCFHI-CYBMUJFWSA-N 1 2 359.426 2.813 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@]3(CC3(F)F)C2)c([N+](=O)[O-])c1 ZINC000593119402 520757119 /nfs/dbraw/zinc/75/71/19/520757119.db2.gz XVPKUNUOVNPDQM-HNNXBMFYSA-N 1 2 355.341 2.663 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@]3(CC3(F)F)C2)c([N+](=O)[O-])c1 ZINC000593119402 520757128 /nfs/dbraw/zinc/75/71/28/520757128.db2.gz XVPKUNUOVNPDQM-HNNXBMFYSA-N 1 2 355.341 2.663 20 5 FFBDLO CC1(C)CC[C@@H](CO)[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000598649327 520762154 /nfs/dbraw/zinc/76/21/54/520762154.db2.gz UDAVYMNXNHFODV-LBPRGKRZSA-N 1 2 355.822 2.670 20 5 FFBDLO CC1(C)CC[C@@H](CO)[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000598649327 520762162 /nfs/dbraw/zinc/76/21/62/520762162.db2.gz UDAVYMNXNHFODV-LBPRGKRZSA-N 1 2 355.822 2.670 20 5 FFBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC(F)(F)c1ccc(F)cc1 ZINC000596064782 520890774 /nfs/dbraw/zinc/89/07/74/520890774.db2.gz JYBITTWXPJEYOK-CQSZACIVSA-N 1 2 370.327 2.855 20 5 FFBDLO COC(=O)c1c(Cl)c(NC[C@@H](C)Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000596081150 520901027 /nfs/dbraw/zinc/90/10/27/520901027.db2.gz TVJJMPCLLPNGMF-SNVBAGLBSA-N 1 2 352.778 2.980 20 5 FFBDLO Cc1n[nH]c(C)c1CCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596260446 520997916 /nfs/dbraw/zinc/99/79/16/520997916.db2.gz IBWRPGLOWBKIJR-UHFFFAOYSA-N 1 2 352.398 2.777 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000611225065 521046014 /nfs/dbraw/zinc/04/60/14/521046014.db2.gz URFZAGZCGUWLOQ-UHFFFAOYSA-N 1 2 361.442 2.970 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000611225065 521046023 /nfs/dbraw/zinc/04/60/23/521046023.db2.gz URFZAGZCGUWLOQ-UHFFFAOYSA-N 1 2 361.442 2.970 20 5 FFBDLO O=C(N1CCCCC1)N1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000611253447 521059358 /nfs/dbraw/zinc/05/93/58/521059358.db2.gz GWIATSZWHAKUKO-SOFGYWHQSA-N 1 2 358.442 2.832 20 5 FFBDLO COc1cc(C[NH2+][C@H](c2ccccc2F)[C@H](C)O)c([N+](=O)[O-])cc1OC ZINC000593656030 521134319 /nfs/dbraw/zinc/13/43/19/521134319.db2.gz AESXKOOLRMLMED-VOJFVSQTSA-N 1 2 364.373 2.963 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2Cc3cnn(C)c3CC(C)(C)C2)c1 ZINC000596598064 521156238 /nfs/dbraw/zinc/15/62/38/521156238.db2.gz JPNDKKUERPAXCX-UHFFFAOYSA-N 1 2 372.425 2.699 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2Cc3cnn(C)c3CC(C)(C)C2)c1 ZINC000596598064 521156246 /nfs/dbraw/zinc/15/62/46/521156246.db2.gz JPNDKKUERPAXCX-UHFFFAOYSA-N 1 2 372.425 2.699 20 5 FFBDLO COc1cc(NCc2ccc([N+](=O)[O-])cc2F)[nH+]cc1Br ZINC000611491597 521184850 /nfs/dbraw/zinc/18/48/50/521184850.db2.gz YZXHRVNRSDKEEO-UHFFFAOYSA-N 1 2 356.151 2.934 20 5 FFBDLO Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c(N2CCCC2)[nH+]1 ZINC000611582269 521236736 /nfs/dbraw/zinc/23/67/36/521236736.db2.gz RLRFZPLOIFJLOV-UHFFFAOYSA-N 1 2 356.382 2.534 20 5 FFBDLO Cn1ncc(C2CCC2)c1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000596988144 521428528 /nfs/dbraw/zinc/42/85/28/521428528.db2.gz FEOKPSBROURVJV-UHFFFAOYSA-N 1 2 355.442 2.918 20 5 FFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1 ZINC000602739452 521507585 /nfs/dbraw/zinc/50/75/85/521507585.db2.gz ZAUFNISYYDZUTJ-GXSJLCMTSA-N 1 2 370.274 2.799 20 5 FFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1 ZINC000602739452 521507592 /nfs/dbraw/zinc/50/75/92/521507592.db2.gz ZAUFNISYYDZUTJ-GXSJLCMTSA-N 1 2 370.274 2.799 20 5 FFBDLO CCCn1nccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000597116034 521517506 /nfs/dbraw/zinc/51/75/06/521517506.db2.gz CKEAFWQQNKCNEH-UHFFFAOYSA-N 1 2 373.457 2.922 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](CC)O[C@]2(CCOC2)C1 ZINC000619434163 521565182 /nfs/dbraw/zinc/56/51/82/521565182.db2.gz FBSZBDXWNWSOOD-FUHWJXTLSA-N 1 2 350.415 2.763 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](CC)O[C@]2(CCOC2)C1 ZINC000619434163 521565185 /nfs/dbraw/zinc/56/51/85/521565185.db2.gz FBSZBDXWNWSOOD-FUHWJXTLSA-N 1 2 350.415 2.763 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCC[C@H](c2cc[nH]n2)C1 ZINC000615992199 521595801 /nfs/dbraw/zinc/59/58/01/521595801.db2.gz PKPXPHLOJHRRRX-INIZCTEOSA-N 1 2 371.441 2.534 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000826212426 609334229 /nfs/dbraw/zinc/33/42/29/609334229.db2.gz PRJNWVZKFKCVHC-SNVBAGLBSA-N 1 2 372.360 2.773 20 5 FFBDLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000745086135 735396860 /nfs/dbraw/zinc/39/68/60/735396860.db2.gz JTJRGRHLYRSGTO-AWEZNQCLSA-N 1 2 369.805 2.604 20 5 FFBDLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000745086135 735396862 /nfs/dbraw/zinc/39/68/62/735396862.db2.gz JTJRGRHLYRSGTO-AWEZNQCLSA-N 1 2 369.805 2.604 20 5 FFBDLO O=[N+]([O-])c1ccc(Cl)cc1CN1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000746670291 735503648 /nfs/dbraw/zinc/50/36/48/735503648.db2.gz FNSAMKPFASDTGY-INIZCTEOSA-N 1 2 353.850 2.935 20 5 FFBDLO C[C@H]([C@H](C)Nc1cccc(Br)c1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000856729039 730350940 /nfs/dbraw/zinc/35/09/40/730350940.db2.gz NNKWEZYFMPGRSS-WDEREUQCSA-N 1 2 358.236 2.878 20 5 FFBDLO Cc1c(Br)cc(C(=O)N[C@@H]2CCn3c[nH+]cc32)cc1[N+](=O)[O-] ZINC000857980887 730415164 /nfs/dbraw/zinc/41/51/64/730415164.db2.gz SBPSKRNSSRZGPD-LLVKDONJSA-N 1 2 365.187 2.737 20 5 FFBDLO C[NH+](C)Cc1csc(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)n1 ZINC000927760130 738778313 /nfs/dbraw/zinc/77/83/13/738778313.db2.gz AWIYLQRTOIAVLR-UHFFFAOYSA-N 1 2 372.809 2.835 20 5 FFBDLO C[NH+](C)Cc1csc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000927768709 738780604 /nfs/dbraw/zinc/78/06/04/738780604.db2.gz NWSKNDBYHARLHZ-UHFFFAOYSA-N 1 2 368.846 2.625 20 5 FFBDLO O=[N+]([O-])c1ccc2ccnc(N3CC[NH+](Cc4cncs4)CC3)c2c1 ZINC000894854723 734928168 /nfs/dbraw/zinc/92/81/68/734928168.db2.gz FLQSGNJWNSQUTH-UHFFFAOYSA-N 1 2 355.423 2.922 20 5 FFBDLO C[N@H+](CC(F)F)C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000742238026 735213791 /nfs/dbraw/zinc/21/37/91/735213791.db2.gz SKJSRTZUKHVPAR-QPJJXVBHSA-N 1 2 353.369 2.796 20 5 FFBDLO C[N@@H+](CC(F)F)C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000742238026 735213794 /nfs/dbraw/zinc/21/37/94/735213794.db2.gz SKJSRTZUKHVPAR-QPJJXVBHSA-N 1 2 353.369 2.796 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000901208956 735757672 /nfs/dbraw/zinc/75/76/72/735757672.db2.gz YIKHEHQQPWMRJX-SECBINFHSA-N 1 2 352.753 2.751 20 5 FFBDLO CC(C)(C)[C@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1O ZINC000754232758 736138386 /nfs/dbraw/zinc/13/83/86/736138386.db2.gz HUPDMLIDWGRMGX-WFASDCNBSA-N 1 2 369.849 2.916 20 5 FFBDLO CC(C)(C)[C@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1O ZINC000754232758 736138388 /nfs/dbraw/zinc/13/83/88/736138388.db2.gz HUPDMLIDWGRMGX-WFASDCNBSA-N 1 2 369.849 2.916 20 5 FFBDLO C[N@H+](CC(F)F)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000758361852 736479611 /nfs/dbraw/zinc/47/96/11/736479611.db2.gz MWQSSLPOOSWFGS-UHFFFAOYSA-N 1 2 360.336 2.927 20 5 FFBDLO C[N@@H+](CC(F)F)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000758361852 736479613 /nfs/dbraw/zinc/47/96/13/736479613.db2.gz MWQSSLPOOSWFGS-UHFFFAOYSA-N 1 2 360.336 2.927 20 5 FFBDLO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000769193818 737506139 /nfs/dbraw/zinc/50/61/39/737506139.db2.gz ABGBAUOUMXUKDX-GFCCVEGCSA-N 1 2 351.403 2.647 20 5 FFBDLO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000769193818 737506143 /nfs/dbraw/zinc/50/61/43/737506143.db2.gz ABGBAUOUMXUKDX-GFCCVEGCSA-N 1 2 351.403 2.647 20 5 FFBDLO C[N@@H+](Cc1nccn1CC(F)(F)F)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582034 738210934 /nfs/dbraw/zinc/21/09/34/738210934.db2.gz OSBXBNVZNRQOPD-CYBMUJFWSA-N 1 2 358.320 2.519 20 5 FFBDLO C[N@H+](Cc1nccn1CC(F)(F)F)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582034 738210936 /nfs/dbraw/zinc/21/09/36/738210936.db2.gz OSBXBNVZNRQOPD-CYBMUJFWSA-N 1 2 358.320 2.519 20 5 FFBDLO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000776811991 738235665 /nfs/dbraw/zinc/23/56/65/738235665.db2.gz QKSCILKNCRFSCF-CHWSQXEVSA-N 1 2 351.403 2.647 20 5 FFBDLO CC(=O)OC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000930079481 739056857 /nfs/dbraw/zinc/05/68/57/739056857.db2.gz HVCDHPOPHULMLO-UHFFFAOYSA-N 1 2 357.204 2.885 20 5 FFBDLO CO[C@H]1COCC[C@@H]1[N@H+](C)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000931698145 739313312 /nfs/dbraw/zinc/31/33/12/739313312.db2.gz KKJNCRDELBQNLJ-KBPBESRZSA-N 1 2 359.220 2.593 20 5 FFBDLO CO[C@H]1COCC[C@@H]1[N@@H+](C)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000931698145 739313317 /nfs/dbraw/zinc/31/33/17/739313317.db2.gz KKJNCRDELBQNLJ-KBPBESRZSA-N 1 2 359.220 2.593 20 5 FFBDLO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000792185149 739648656 /nfs/dbraw/zinc/64/86/56/739648656.db2.gz IMIJVKMCHZQCQD-GFCCVEGCSA-N 1 2 368.231 2.554 20 5 FFBDLO O=C1CCCN1[C@@H]1CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000792185149 739648660 /nfs/dbraw/zinc/64/86/60/739648660.db2.gz IMIJVKMCHZQCQD-GFCCVEGCSA-N 1 2 368.231 2.554 20 5 FFBDLO Cn1cc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(Cl)n1 ZINC000816154564 742003074 /nfs/dbraw/zinc/00/30/74/742003074.db2.gz WKNGRLCVWJOANX-UHFFFAOYSA-N 1 2 361.745 2.524 20 5 FFBDLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000818355859 742266411 /nfs/dbraw/zinc/26/64/11/742266411.db2.gz KERGZBBXRDDZIY-IUCAKERBSA-N 1 2 350.400 2.832 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@@H]2CSC[C@H]2C1 ZINC000827102867 743507680 /nfs/dbraw/zinc/50/76/80/743507680.db2.gz OPVRXUIFGFUEKI-ZIAGYGMSSA-N 1 2 358.423 2.606 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1Cl ZINC000836201351 746162716 /nfs/dbraw/zinc/16/27/16/746162716.db2.gz MLCBKAIZUKXRPC-UHFFFAOYSA-N 1 2 360.801 2.914 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)cc1Cl ZINC000836273290 746179614 /nfs/dbraw/zinc/17/96/14/746179614.db2.gz WQPPOCLKHSLIIY-INIZCTEOSA-N 1 2 369.849 2.643 20 5 FFBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000843807908 747900190 /nfs/dbraw/zinc/90/01/90/747900190.db2.gz HYCZTTWQEGGXMF-UHFFFAOYSA-N 1 2 359.348 2.844 20 5 FFBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000843807908 747900194 /nfs/dbraw/zinc/90/01/94/747900194.db2.gz HYCZTTWQEGGXMF-UHFFFAOYSA-N 1 2 359.348 2.844 20 5 FFBDLO O=[N+]([O-])c1cccc(CS(=O)(=O)Oc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000134200346 845659733 /nfs/dbraw/zinc/65/97/33/845659733.db2.gz NUQQDNOKDLNFIW-UHFFFAOYSA-N 1 2 359.363 2.689 20 5 FFBDLO COC(=O)[C@@H](CC1CCOCC1)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000895592254 970775186 /nfs/dbraw/zinc/77/51/86/970775186.db2.gz SHIQVSOZDWFLGL-WMLDXEAASA-N 1 2 364.442 2.864 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1)c1cccc([N+](=O)[O-])c1 ZINC000872107793 1013146249 /nfs/dbraw/zinc/14/62/49/1013146249.db2.gz OXJKJDUYSFZMEM-BVPBIZIASA-N 1 2 356.426 2.965 20 5 FFBDLO C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000008474499 1013302551 /nfs/dbraw/zinc/30/25/51/1013302551.db2.gz XPDLKAQZFPTUBG-INIZCTEOSA-N 1 2 360.458 2.508 20 5 FFBDLO CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(CC[N+](=O)[O-])CC1 ZINC001167356317 962318541 /nfs/dbraw/zinc/31/85/41/962318541.db2.gz LZRJXLIOAOPJKJ-OAHLLOKOSA-N 1 2 356.264 2.795 20 5 FFBDLO Cc1cc(C)c(NC(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)c(C)[nH+]1 ZINC001125473798 963187121 /nfs/dbraw/zinc/18/71/21/963187121.db2.gz MXTRALYUJRHNSY-UHFFFAOYSA-N 1 2 366.381 2.807 20 5 FFBDLO CN(C[C@H]1CCCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001175774614 1013556328 /nfs/dbraw/zinc/55/63/28/1013556328.db2.gz HZDUKBQDZICQLM-CQSZACIVSA-N 1 2 367.450 2.550 20 5 FFBDLO CN(C[C@H]1CCCC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001175774614 1013556337 /nfs/dbraw/zinc/55/63/37/1013556337.db2.gz HZDUKBQDZICQLM-CQSZACIVSA-N 1 2 367.450 2.550 20 5 FFBDLO CN(C[C@@H]1CCCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001176226329 1013654783 /nfs/dbraw/zinc/65/47/83/1013654783.db2.gz HZDUKBQDZICQLM-AWEZNQCLSA-N 1 2 367.450 2.550 20 5 FFBDLO CN(C[C@@H]1CCCC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001176226329 1013654785 /nfs/dbraw/zinc/65/47/85/1013654785.db2.gz HZDUKBQDZICQLM-AWEZNQCLSA-N 1 2 367.450 2.550 20 5 FFBDLO COc1ccc(C(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000874894993 1013926460 /nfs/dbraw/zinc/92/64/60/1013926460.db2.gz XDRNDBUSERQPCH-HNNXBMFYSA-N 1 2 359.357 2.529 20 5 FFBDLO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000840145575 970503553 /nfs/dbraw/zinc/50/35/53/970503553.db2.gz QOUDBABAUTZMTA-GFCCVEGCSA-N 1 2 371.363 2.718 20 5 FFBDLO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000840145575 970503564 /nfs/dbraw/zinc/50/35/64/970503564.db2.gz QOUDBABAUTZMTA-GFCCVEGCSA-N 1 2 371.363 2.718 20 5 FFBDLO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[N@@H+](C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000728833565 974924355 /nfs/dbraw/zinc/92/43/55/974924355.db2.gz HDOOBKYFOKZLTJ-UHFFFAOYSA-N 1 2 370.365 2.904 20 5 FFBDLO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[N@H+](C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000728833565 974924360 /nfs/dbraw/zinc/92/43/60/974924360.db2.gz HDOOBKYFOKZLTJ-UHFFFAOYSA-N 1 2 370.365 2.904 20 5 FFBDLO CO[C@H]1C[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3F)Cc3cccnc3N2C1 ZINC000877687744 1014680669 /nfs/dbraw/zinc/68/06/69/1014680669.db2.gz LMILPRCOGWFIHJ-SJORKVTESA-N 1 2 372.400 2.738 20 5 FFBDLO CO[C@H]1C[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)Cc3cccnc3N2C1 ZINC000877687744 1014680678 /nfs/dbraw/zinc/68/06/78/1014680678.db2.gz LMILPRCOGWFIHJ-SJORKVTESA-N 1 2 372.400 2.738 20 5 FFBDLO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000907113977 981200009 /nfs/dbraw/zinc/20/00/09/981200009.db2.gz CUNLTBLCICIDRG-AWEZNQCLSA-N 1 2 374.828 2.971 20 5 FFBDLO CC(C)(CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)n1cc[nH+]c1 ZINC000912616580 984074158 /nfs/dbraw/zinc/07/41/58/984074158.db2.gz KFNFCQKUEQFTDL-UHFFFAOYSA-N 1 2 357.414 2.557 20 5 FFBDLO COc1cccc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000193883134 989093375 /nfs/dbraw/zinc/09/33/75/989093375.db2.gz JDKSFHDSUSZZAC-MRXNPFEDSA-N 1 2 355.394 2.732 20 5 FFBDLO COc1cccc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000193883134 989093382 /nfs/dbraw/zinc/09/33/82/989093382.db2.gz JDKSFHDSUSZZAC-MRXNPFEDSA-N 1 2 355.394 2.732 20 5 FFBDLO COc1cccc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1[N+](=O)[O-] ZINC000194144555 989167630 /nfs/dbraw/zinc/16/76/30/989167630.db2.gz BPMJJUVPBHYRAO-UHFFFAOYSA-N 1 2 370.340 2.858 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000444657045 990299850 /nfs/dbraw/zinc/29/98/50/990299850.db2.gz IYIZASYJYBHTTM-LBPRGKRZSA-N 1 2 353.382 2.829 20 5 FFBDLO C[C@@H]1C[C@H]1c1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n[nH]1 ZINC000194594081 990350389 /nfs/dbraw/zinc/35/03/89/990350389.db2.gz YVXHSIDCRKZWAT-ZYHUDNBSSA-N 1 2 352.354 2.879 20 5 FFBDLO COc1cccc(C[NH+]2CCN(C(=O)c3cc(C)cc([N+](=O)[O-])c3)CC2)c1 ZINC001131966742 994650881 /nfs/dbraw/zinc/65/08/81/994650881.db2.gz NVEUXORWLJPDBE-UHFFFAOYSA-N 1 2 369.421 2.870 20 5 FFBDLO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1noc2c1CCCC2 ZINC000813173563 995634014 /nfs/dbraw/zinc/63/40/14/995634014.db2.gz DNHLMMRHQVAWKT-HNNXBMFYSA-N 1 2 371.393 2.893 20 5 FFBDLO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1noc2c1CCCC2 ZINC000813173563 995634019 /nfs/dbraw/zinc/63/40/19/995634019.db2.gz DNHLMMRHQVAWKT-HNNXBMFYSA-N 1 2 371.393 2.893 20 5 FFBDLO O=C(C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Nc1ccc(O)cc1 ZINC000744421970 999856524 /nfs/dbraw/zinc/85/65/24/999856524.db2.gz WXYQKWPIBRXFFR-UHFFFAOYSA-N 1 2 371.393 2.782 20 5 FFBDLO O=C(O[C@H]1Cc2ccccc2C1=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785676327 1001466575 /nfs/dbraw/zinc/46/65/75/1001466575.db2.gz SBMTVJRXMACPPG-KRWDZBQOSA-N 1 2 363.329 2.745 20 5 FFBDLO CCn1ccc(C[N@H+](C)CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)c1 ZINC000790452856 1002381645 /nfs/dbraw/zinc/38/16/45/1002381645.db2.gz YUUMRBQARZORIN-UHFFFAOYSA-N 1 2 357.414 2.748 20 5 FFBDLO CCn1ccc(C[N@@H+](C)CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)c1 ZINC000790452856 1002381647 /nfs/dbraw/zinc/38/16/47/1002381647.db2.gz YUUMRBQARZORIN-UHFFFAOYSA-N 1 2 357.414 2.748 20 5 FFBDLO COC(=O)N1CCN(c2ccc(Nc3ccsc3[N+](=O)[O-])c[nH+]2)CC1 ZINC001186528453 1003339800 /nfs/dbraw/zinc/33/98/00/1003339800.db2.gz RQHKJEQCGNYIAW-UHFFFAOYSA-N 1 2 363.399 2.683 20 5 FFBDLO CSc1cc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)ncn1 ZINC001131222886 1004796679 /nfs/dbraw/zinc/79/66/79/1004796679.db2.gz PEAYOIGLABQITI-UHFFFAOYSA-N 1 2 356.367 2.545 20 5 FFBDLO Cc1[nH]c([C@@H]2CCCN2S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[nH+]c1C ZINC001194802882 1004818717 /nfs/dbraw/zinc/81/87/17/1004818717.db2.gz RXXCWWZFLQUPOT-HNNXBMFYSA-N 1 2 364.427 2.602 20 5 FFBDLO COc1cccc([C@@H]2C[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CCO2)c1 ZINC000776586205 1005972200 /nfs/dbraw/zinc/97/22/00/1005972200.db2.gz KPXASTQDKDNMCR-OALUTQOASA-N 1 2 358.394 2.710 20 5 FFBDLO COc1cccc([C@@H]2C[N@@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CCO2)c1 ZINC000776586205 1005972211 /nfs/dbraw/zinc/97/22/11/1005972211.db2.gz KPXASTQDKDNMCR-OALUTQOASA-N 1 2 358.394 2.710 20 5 FFBDLO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)nc1-c1ccncc1 ZINC000853594018 1006466126 /nfs/dbraw/zinc/46/61/26/1006466126.db2.gz NRFJHGOYDSBFJP-QGZVFWFLSA-N 1 2 365.393 2.964 20 5 FFBDLO O=[N+]([O-])c1cn(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)nc1-c1ccncc1 ZINC000853594018 1006466129 /nfs/dbraw/zinc/46/61/29/1006466129.db2.gz NRFJHGOYDSBFJP-QGZVFWFLSA-N 1 2 365.393 2.964 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000775168909 1006595858 /nfs/dbraw/zinc/59/58/58/1006595858.db2.gz UGLIQABGPRPAQI-ZWKOTPCHSA-N 1 2 370.384 2.880 20 5 FFBDLO CCC(CC)NC(=O)[C@@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000855085396 1007104316 /nfs/dbraw/zinc/10/43/16/1007104316.db2.gz IVQSIBWDHVIVDY-GFCCVEGCSA-N 1 2 374.397 2.631 20 5 FFBDLO Cc1noc(C[N@@H+]2C[C@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000856813683 1007987837 /nfs/dbraw/zinc/98/78/37/1007987837.db2.gz LLBBRJGSNSYYGG-SJKOYZFVSA-N 1 2 366.418 2.770 20 5 FFBDLO Cc1noc(C[N@H+]2C[C@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000856813683 1007987850 /nfs/dbraw/zinc/98/78/50/1007987850.db2.gz LLBBRJGSNSYYGG-SJKOYZFVSA-N 1 2 366.418 2.770 20 5 FFBDLO O=C(Nc1c[nH]nc1C(F)(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001177789996 1008749358 /nfs/dbraw/zinc/74/93/58/1008749358.db2.gz GHIHNRASNWDWSY-UHFFFAOYSA-N 1 2 366.259 2.775 20 5 FFBDLO Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178116481 1008864647 /nfs/dbraw/zinc/86/46/47/1008864647.db2.gz LPXUNKHHICEQNW-GFCCVEGCSA-N 1 2 358.405 2.763 20 5 FFBDLO CC(C)c1ccc(C[NH2+]Cc2nc3c(c(=O)[nH]2)COCC3)cc1[N+](=O)[O-] ZINC001179418786 1009337540 /nfs/dbraw/zinc/33/75/40/1009337540.db2.gz CEIZPXZLBYWWQI-UHFFFAOYSA-N 1 2 358.398 2.576 20 5 FFBDLO O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000861860250 1009591841 /nfs/dbraw/zinc/59/18/41/1009591841.db2.gz GJLUBRSEHOHRMI-MRXNPFEDSA-N 1 2 369.421 2.685 20 5 FFBDLO COc1c(C)c[nH+]c(CN(C)C(=O)Cc2cccc(F)c2[N+](=O)[O-])c1C ZINC000865051966 1010696112 /nfs/dbraw/zinc/69/61/12/1010696112.db2.gz ZVDALTUHEVQPJZ-UHFFFAOYSA-N 1 2 361.373 2.955 20 5 FFBDLO COc1cccc([C@H]2CN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)CC[NH2+]2)c1 ZINC000870147558 1012199934 /nfs/dbraw/zinc/19/99/34/1012199934.db2.gz PVCSOYOKUJEKKZ-QGZVFWFLSA-N 1 2 355.394 2.699 20 5 FFBDLO COc1cccc([C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3C)CC[NH2+]2)c1 ZINC000870149208 1012203485 /nfs/dbraw/zinc/20/34/85/1012203485.db2.gz GBKQAXLPVQYYKH-SFHVURJKSA-N 1 2 355.394 2.699 20 5 FFBDLO COc1cccc([C@H]2CN(C(=O)Cc3cccc([N+](=O)[O-])c3C)CC[NH2+]2)c1 ZINC000870151057 1012209811 /nfs/dbraw/zinc/20/98/11/1012209811.db2.gz SWAQNKXMYOBFJO-GOSISDBHSA-N 1 2 369.421 2.627 20 5 FFBDLO O=C(N[C@H](C1CCC1)[C@@H]1CCOC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000871305469 1012841738 /nfs/dbraw/zinc/84/17/38/1012841738.db2.gz BOUKLHXIFZSFGC-CRAIPNDOSA-N 1 2 370.409 2.716 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927084455 1018352773 /nfs/dbraw/zinc/35/27/73/1018352773.db2.gz URZCYNNRCYWOLP-UHFFFAOYSA-N 1 2 356.382 2.715 20 5 FFBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c1 ZINC000726590781 1020491780 /nfs/dbraw/zinc/49/17/80/1020491780.db2.gz TYYQGNOZCFCSIJ-CYBMUJFWSA-N 1 2 372.360 2.818 20 5 FFBDLO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c1 ZINC000726590781 1020491784 /nfs/dbraw/zinc/49/17/84/1020491784.db2.gz TYYQGNOZCFCSIJ-CYBMUJFWSA-N 1 2 372.360 2.818 20 5 FFBDLO Cc1cc2nc3nc(=O)[nH]c(O[C@H]4CC[NH2+]CC[C@H]4C)c3nc2cc1C ZINC001218023589 1032959217 /nfs/dbraw/zinc/95/92/17/1032959217.db2.gz JPDKJCMFCRCSDC-BMIGLBTASA-N 1 2 353.426 2.662 20 5 FFBDLO CN(OCc1ccccc1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000156082463 1022323587 /nfs/dbraw/zinc/32/35/87/1022323587.db2.gz SRLQKAHVGNAYSN-UHFFFAOYSA-N 1 2 352.350 2.984 20 5 FFBDLO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000116113346 1022379672 /nfs/dbraw/zinc/37/96/72/1022379672.db2.gz DFUJPCSKFRTJFB-UHFFFAOYSA-N 1 2 370.340 2.615 20 5 FFBDLO CC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@H]1C[NH2+]CC1(F)F ZINC001218235643 1033063414 /nfs/dbraw/zinc/06/34/14/1033063414.db2.gz MVKOQKPGEWVFGE-JTQLQIEISA-N 1 2 365.130 2.546 20 5 FFBDLO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000078072690 1023725814 /nfs/dbraw/zinc/72/58/14/1023725814.db2.gz MKBIIUPBZUTBIF-KRWDZBQOSA-N 1 2 359.357 2.573 20 5 FFBDLO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000078072690 1023725822 /nfs/dbraw/zinc/72/58/22/1023725822.db2.gz MKBIIUPBZUTBIF-KRWDZBQOSA-N 1 2 359.357 2.573 20 5 FFBDLO CCn1c[nH+]cc1COC(=O)c1cc([N+](=O)[O-])ccc1SCCOC ZINC001123474357 1023820209 /nfs/dbraw/zinc/82/02/09/1023820209.db2.gz YMOLFGIHLGNBPB-UHFFFAOYSA-N 1 2 365.411 2.907 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1C[C@H](CO)c2ccccc21 ZINC001141294437 1025782584 /nfs/dbraw/zinc/78/25/84/1025782584.db2.gz FGVPQZILUYOOLE-CQSZACIVSA-N 1 2 364.361 2.517 20 5 FFBDLO O=C(OCc1nnc(C2CC2)s1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000837683705 1025961178 /nfs/dbraw/zinc/96/11/78/1025961178.db2.gz WGEWAPHMOBDDNU-UHFFFAOYSA-N 1 2 371.378 2.866 20 5 FFBDLO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000840146928 1026982708 /nfs/dbraw/zinc/98/27/08/1026982708.db2.gz ZQXGNIKMJBMBOJ-GFCCVEGCSA-N 1 2 371.363 2.718 20 5 FFBDLO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000840146928 1026982712 /nfs/dbraw/zinc/98/27/12/1026982712.db2.gz ZQXGNIKMJBMBOJ-GFCCVEGCSA-N 1 2 371.363 2.718 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC001160722138 1027824399 /nfs/dbraw/zinc/82/43/99/1027824399.db2.gz FCHCHHIKSFSQFO-QWRGUYRKSA-N 1 2 361.229 2.962 20 5 FFBDLO CC(C)(C)[NH+]1CC(Nc2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])C1 ZINC001162226129 1028475033 /nfs/dbraw/zinc/47/50/33/1028475033.db2.gz OSSOFFYHZZDOKG-UHFFFAOYSA-N 1 2 353.732 2.952 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000780763442 1028799462 /nfs/dbraw/zinc/79/94/62/1028799462.db2.gz CREADKIVKXYSGO-MSOLQXFVSA-N 1 2 370.384 2.880 20 5 FFBDLO COc1cc(N2CCN(c3nc(Cl)c(C)cc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC001158099144 1029733420 /nfs/dbraw/zinc/73/34/20/1029733420.db2.gz JLZNWMQGKMYZHE-UHFFFAOYSA-N 1 2 363.805 2.682 20 5 FFBDLO C[C@@H](O[NH+]=C(N)Cc1cccc(F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000783149911 1029925404 /nfs/dbraw/zinc/92/54/04/1029925404.db2.gz AAMJWKDNFGTHID-LLVKDONJSA-N 1 2 360.345 2.802 20 5 FFBDLO Cc1nc(N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)ccc1[N+](=O)[O-] ZINC001165690764 1030086693 /nfs/dbraw/zinc/08/66/93/1030086693.db2.gz LXJFEOYBQBAYHQ-OAHLLOKOSA-N 1 2 357.414 2.558 20 5 FFBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)OCC1CN(c2cccc[nH+]2)C1 ZINC000842894235 1031030344 /nfs/dbraw/zinc/03/03/44/1031030344.db2.gz NIXCYUBHBKGXIB-UHFFFAOYSA-N 1 2 370.409 2.862 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCN(C(=O)OCC(C)C)CC1 ZINC000797517879 1031141733 /nfs/dbraw/zinc/14/17/33/1031141733.db2.gz QQUAPMXEHNQDDA-UHFFFAOYSA-N 1 2 365.430 2.904 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCN(C(=O)OCC(C)C)CC1 ZINC000797517879 1031141737 /nfs/dbraw/zinc/14/17/37/1031141737.db2.gz QQUAPMXEHNQDDA-UHFFFAOYSA-N 1 2 365.430 2.904 20 5 FFBDLO CO[C@H]1C[C@H](OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C12CCC2 ZINC000835880108 1036064554 /nfs/dbraw/zinc/06/45/54/1036064554.db2.gz APYZTIZXBAEEKL-HOTGVXAUSA-N 1 2 357.366 2.895 20 5 FFBDLO Cc1cc[nH+]c(N2CCC(Oc3nc(C4CC4)[nH]c(=O)c3[N+](=O)[O-])CC2)c1 ZINC001228610372 1036205268 /nfs/dbraw/zinc/20/52/68/1036205268.db2.gz UBXZOCVWCIOYNG-UHFFFAOYSA-N 1 2 371.397 2.719 20 5 FFBDLO Cc1csc(CCCNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC001536669489 1070032091 /nfs/dbraw/zinc/03/20/91/1070032091.db2.gz FKDYTNKBGAOUAG-UHFFFAOYSA-N 1 2 371.422 2.908 20 5 FFBDLO COc1c(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)cccc1[N+](=O)[O-] ZINC001536709814 1070044358 /nfs/dbraw/zinc/04/43/58/1070044358.db2.gz RRSVRPCHDWEKAZ-INIZCTEOSA-N 1 2 366.377 2.971 20 5 FFBDLO O=c1c2cc(O)ccc2oc2cc(O)cc(O[C@@H]3C[NH+]4CCC3CC4)c21 ZINC001234745210 1037161564 /nfs/dbraw/zinc/16/15/64/1037161564.db2.gz SICUHGYMMKBYIA-GOSISDBHSA-N 1 2 353.374 2.830 20 5 FFBDLO Cc1nccc([N+](=O)[O-])c1O[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001234899356 1037233060 /nfs/dbraw/zinc/23/30/60/1037233060.db2.gz BMDRXYXZMFGHPS-YJBOKZPZSA-N 1 2 357.410 2.967 20 5 FFBDLO Cc1nccc([N+](=O)[O-])c1O[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001234899356 1037233069 /nfs/dbraw/zinc/23/30/69/1037233069.db2.gz BMDRXYXZMFGHPS-YJBOKZPZSA-N 1 2 357.410 2.967 20 5 FFBDLO C[C@@H](CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1[N+](=O)[O-] ZINC001230553655 1037306376 /nfs/dbraw/zinc/30/63/76/1037306376.db2.gz JXZMMSPNLGMFCH-GJZGRUSLSA-N 1 2 369.425 2.671 20 5 FFBDLO CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1cnn(C)c1 ZINC001537142103 1070130638 /nfs/dbraw/zinc/13/06/38/1070130638.db2.gz AFHUPLKZAJSOQT-KRWDZBQOSA-N 1 2 368.397 2.641 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@](N)(C(F)(F)F)C2)c1F ZINC001246568196 1039399585 /nfs/dbraw/zinc/39/95/85/1039399585.db2.gz KNKBPIHIVNCVNO-LKFCYVNXSA-N 1 2 365.327 2.639 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CC[C@](N)(C(F)(F)F)C2)c1F ZINC001246568196 1039399591 /nfs/dbraw/zinc/39/95/91/1039399591.db2.gz KNKBPIHIVNCVNO-LKFCYVNXSA-N 1 2 365.327 2.639 20 5 FFBDLO O=[N+]([O-])c1cccc(Nc2ccc(N3CC[NH+](C4COC4)CC3)cc2)c1F ZINC001210386296 1039516806 /nfs/dbraw/zinc/51/68/06/1039516806.db2.gz SYKXWUWAQAGXAA-UHFFFAOYSA-N 1 2 372.400 2.998 20 5 FFBDLO C[N@@H+]1Cc2ccccc2C[C@H]1c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001248121124 1040135902 /nfs/dbraw/zinc/13/59/02/1040135902.db2.gz YSYAXZUUNPEXET-AWEZNQCLSA-N 1 2 355.329 2.908 20 5 FFBDLO C[N@H+]1Cc2ccccc2C[C@H]1c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001248121124 1040135912 /nfs/dbraw/zinc/13/59/12/1040135912.db2.gz YSYAXZUUNPEXET-AWEZNQCLSA-N 1 2 355.329 2.908 20 5 FFBDLO CCOCc1cnc2n1CC[N@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)[C@@H]2C ZINC001254595654 1040825356 /nfs/dbraw/zinc/82/53/56/1040825356.db2.gz KLFKMXXMUXATJB-DYVFJYSZSA-N 1 2 356.426 2.872 20 5 FFBDLO CCOCc1cnc2n1CC[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)[C@@H]2C ZINC001254595654 1040825364 /nfs/dbraw/zinc/82/53/64/1040825364.db2.gz KLFKMXXMUXATJB-DYVFJYSZSA-N 1 2 356.426 2.872 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCn3c(Br)cnc3C1)C2 ZINC001254600925 1040831692 /nfs/dbraw/zinc/83/16/92/1040831692.db2.gz SJHLEHVYPXAGNA-CYBMUJFWSA-N 1 2 363.215 2.537 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCn3c(Br)cnc3C1)C2 ZINC001254600925 1040831706 /nfs/dbraw/zinc/83/17/06/1040831706.db2.gz SJHLEHVYPXAGNA-CYBMUJFWSA-N 1 2 363.215 2.537 20 5 FFBDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1c(F)cccc1[N+](=O)[O-] ZINC001264783972 1042822478 /nfs/dbraw/zinc/82/24/78/1042822478.db2.gz JYFSVTIHGVERAV-UHFFFAOYSA-N 1 2 358.304 2.989 20 5 FFBDLO Cc1nn(C[NH+]2CCC([C@H]3C(=O)Nc4ccccc43)CC2)cc1[N+](=O)[O-] ZINC001320192928 1045366773 /nfs/dbraw/zinc/36/67/73/1045366773.db2.gz VUPQKXHPTUUEEB-QGZVFWFLSA-N 1 2 355.398 2.505 20 5 FFBDLO O=C1c2ccccc2C(=O)N1OCCC[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001324486719 1046059349 /nfs/dbraw/zinc/05/93/49/1046059349.db2.gz RLUSHBSVGSVCNL-UHFFFAOYSA-N 1 2 367.361 2.528 20 5 FFBDLO O=C1c2ccccc2C(=O)N1OCCC[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001324486719 1046059361 /nfs/dbraw/zinc/05/93/61/1046059361.db2.gz RLUSHBSVGSVCNL-UHFFFAOYSA-N 1 2 367.361 2.528 20 5 FFBDLO CCOC(=O)c1cc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)[nH]n1 ZINC001326289870 1046851391 /nfs/dbraw/zinc/85/13/91/1046851391.db2.gz XGZJSRVWBGLCAH-UHFFFAOYSA-N 1 2 374.397 2.538 20 5 FFBDLO Cc1noc([C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C(C)C)n1 ZINC001540310241 1070834421 /nfs/dbraw/zinc/83/44/21/1070834421.db2.gz KNNBWBMROURBQD-OAHLLOKOSA-N 1 2 370.369 2.599 20 5 FFBDLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001287948936 1047376626 /nfs/dbraw/zinc/37/66/26/1047376626.db2.gz WPXHYPCFEYKAMV-QGZVFWFLSA-N 1 2 357.435 2.990 20 5 FFBDLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001287948936 1047376637 /nfs/dbraw/zinc/37/66/37/1047376637.db2.gz WPXHYPCFEYKAMV-QGZVFWFLSA-N 1 2 357.435 2.990 20 5 FFBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001343039741 1051655369 /nfs/dbraw/zinc/65/53/69/1051655369.db2.gz PAHNMFUGLZZVND-OCCSQVGLSA-N 1 2 360.389 2.582 20 5 FFBDLO Cc1cccnc1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001305320154 1051862634 /nfs/dbraw/zinc/86/26/34/1051862634.db2.gz SIVHWVWBDHRILM-ZDUSSCGKSA-N 1 2 351.366 2.975 20 5 FFBDLO CCOC(=O)c1cc([N+](=O)[O-])c(N[C@H](C)[C@H](C)[NH+]2CCOCC2)cc1C ZINC001306963020 1052227973 /nfs/dbraw/zinc/22/79/73/1052227973.db2.gz XPTWOBNDKQWGGD-KGLIPLIRSA-N 1 2 365.430 2.601 20 5 FFBDLO Cn1ncc(C(=O)OC(C)(C)C)c1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001308711704 1052489756 /nfs/dbraw/zinc/48/97/56/1052489756.db2.gz GZGCBXXODNOPGO-UHFFFAOYSA-N 1 2 374.441 2.958 20 5 FFBDLO Cn1ncc(C(=O)OC(C)(C)C)c1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001308711704 1052489759 /nfs/dbraw/zinc/48/97/59/1052489759.db2.gz GZGCBXXODNOPGO-UHFFFAOYSA-N 1 2 374.441 2.958 20 5 FFBDLO O=C(Nc1cnc(C2CC2)nc1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001542833037 1071317900 /nfs/dbraw/zinc/31/79/00/1071317900.db2.gz HSBCLFMMBCSSIE-UHFFFAOYSA-N 1 2 350.338 2.700 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCC[C@H]1[C@H]1CCCO1 ZINC001348666636 1054849789 /nfs/dbraw/zinc/84/97/89/1054849789.db2.gz LZMTXHOOENTGKI-FUHWJXTLSA-N 1 2 370.409 2.954 20 5 FFBDLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC001350056390 1055599309 /nfs/dbraw/zinc/59/93/09/1055599309.db2.gz GUVRDFYILQXUHI-CQSZACIVSA-N 1 2 374.445 2.539 20 5 FFBDLO Cc1nc(CCNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)sc1C ZINC001517249678 1060421914 /nfs/dbraw/zinc/42/19/14/1060421914.db2.gz GKEJEBLKUZGVLV-UHFFFAOYSA-N 1 2 371.422 2.826 20 5 FFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2ncccn2)C1 ZINC001460790490 1061104118 /nfs/dbraw/zinc/10/41/18/1061104118.db2.gz GZDRKXTZZRIQCY-UONOGXRCSA-N 1 2 355.398 2.591 20 5 FFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](c2ncccn2)C1 ZINC001460790490 1061104122 /nfs/dbraw/zinc/10/41/22/1061104122.db2.gz GZDRKXTZZRIQCY-UONOGXRCSA-N 1 2 355.398 2.591 20 5 FFBDLO Cc1cc(C)c(S(=O)(=O)NCc2c[nH]c(C(C)C)[nH+]2)cc1[N+](=O)[O-] ZINC001475723960 1061237703 /nfs/dbraw/zinc/23/77/03/1061237703.db2.gz PQARAVNLZCMDEW-UHFFFAOYSA-N 1 2 352.416 2.537 20 5 FFBDLO Cc1cc(C)c(S(=O)(=O)NCc2c[nH+]c(C(C)C)[nH]2)cc1[N+](=O)[O-] ZINC001475723960 1061237719 /nfs/dbraw/zinc/23/77/19/1061237719.db2.gz PQARAVNLZCMDEW-UHFFFAOYSA-N 1 2 352.416 2.537 20 5 FFBDLO COc1cnc(F)c(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c1 ZINC001462130508 1061512317 /nfs/dbraw/zinc/51/23/17/1061512317.db2.gz ZFFWELDTZAOTPL-UHFFFAOYSA-N 1 2 357.301 2.576 20 5 FFBDLO O=C(Oc1ccc2cncnc2c1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001435686696 1062540194 /nfs/dbraw/zinc/54/01/94/1062540194.db2.gz XQXXJXFMIVTSQO-UHFFFAOYSA-N 1 2 361.317 2.943 20 5 FFBDLO CC(C)Oc1cncc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC001437211325 1062832660 /nfs/dbraw/zinc/83/26/60/1062832660.db2.gz KZEPSTQPISUUNC-UHFFFAOYSA-N 1 2 368.353 2.610 20 5 FFBDLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001532313618 1063031071 /nfs/dbraw/zinc/03/10/71/1063031071.db2.gz MGXSLRKZNHUVJZ-LJQANCHMSA-N 1 2 369.421 2.534 20 5 FFBDLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001532313618 1063031096 /nfs/dbraw/zinc/03/10/96/1063031096.db2.gz MGXSLRKZNHUVJZ-LJQANCHMSA-N 1 2 369.421 2.534 20 5 FFBDLO Cc1[nH]c([C@H]2CCCN2C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[nH+]c1C ZINC001471859257 1064823902 /nfs/dbraw/zinc/82/39/02/1064823902.db2.gz KTJHWSVKWHEUNF-OAHLLOKOSA-N 1 2 362.361 2.816 20 5 FFBDLO CC[C@@H](C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](CC)C1 ZINC001472148043 1064952724 /nfs/dbraw/zinc/95/27/24/1064952724.db2.gz AULVZRMTNMMXPI-INMHGKMJSA-N 1 2 363.458 2.704 20 5 FFBDLO CC[C@@H](C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H](CC)C1 ZINC001472148043 1064952741 /nfs/dbraw/zinc/95/27/41/1064952741.db2.gz AULVZRMTNMMXPI-INMHGKMJSA-N 1 2 363.458 2.704 20 5 FFBDLO CC[C@@H]1c2ccc(OC)c(OC)c2CC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC001559967473 1076208892 /nfs/dbraw/zinc/20/88/92/1076208892.db2.gz CTAHVJPVEBXRMO-OAHLLOKOSA-N 1 2 360.414 2.855 20 5 FFBDLO CC[C@@H]1c2ccc(OC)c(OC)c2CC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC001559967473 1076208897 /nfs/dbraw/zinc/20/88/97/1076208897.db2.gz CTAHVJPVEBXRMO-OAHLLOKOSA-N 1 2 360.414 2.855 20 5 FFBDLO C[C@H]([NH2+][C@@H](CO)c1cc(F)ccc1F)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC001560224760 1076250476 /nfs/dbraw/zinc/25/04/76/1076250476.db2.gz FDIDZUTVCLAHRW-BONVTDFDSA-N 1 2 365.336 2.523 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC001562152545 1076478627 /nfs/dbraw/zinc/47/86/27/1076478627.db2.gz LXWZWTDZZWSBMO-MRXNPFEDSA-N 1 2 356.382 2.912 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC001562152545 1076478628 /nfs/dbraw/zinc/47/86/28/1076478628.db2.gz LXWZWTDZZWSBMO-MRXNPFEDSA-N 1 2 356.382 2.912 20 5 FFBDLO Nc1c(C(=O)N2CC[NH2+][C@H](c3ccc(Cl)cc3)C2)cccc1[N+](=O)[O-] ZINC001586126592 1079554115 /nfs/dbraw/zinc/55/41/15/1079554115.db2.gz XIAOZCLCWNPPEZ-AWEZNQCLSA-N 1 2 360.801 2.617 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000366634636 512117675 /nfs/dbraw/zinc/11/76/75/512117675.db2.gz PPMUOZDYTSKDFA-QGZVFWFLSA-N 1 2 355.394 2.667 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000366634636 512117666 /nfs/dbraw/zinc/11/76/66/512117666.db2.gz PPMUOZDYTSKDFA-QGZVFWFLSA-N 1 2 355.394 2.667 20 5 FFBDLO CC(=O)NCC[NH+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000047551382 249451753 /nfs/dbraw/zinc/45/17/53/249451753.db2.gz OPUUJIVNHVICJQ-UHFFFAOYSA-N 1 2 372.381 2.641 20 5 FFBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)ccc1Br ZINC000093611698 250039698 /nfs/dbraw/zinc/03/96/98/250039698.db2.gz FAONQUYVRWZURM-LLVKDONJSA-N 1 2 369.137 2.856 20 5 FFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)ccc1Br ZINC000093611698 250039702 /nfs/dbraw/zinc/03/97/02/250039702.db2.gz FAONQUYVRWZURM-LLVKDONJSA-N 1 2 369.137 2.856 20 5 FFBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(c3nnc[nH]3)CC2)ccc1Br ZINC000093646105 250040190 /nfs/dbraw/zinc/04/01/90/250040190.db2.gz PEFDTOGKHQDYQG-UHFFFAOYSA-N 1 2 366.219 2.855 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000096634362 250056392 /nfs/dbraw/zinc/05/63/92/250056392.db2.gz JBSURNKXDKUAAO-UHFFFAOYSA-N 1 2 371.393 2.688 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)c1 ZINC000264618586 251324672 /nfs/dbraw/zinc/32/46/72/251324672.db2.gz HPZWZCWYQYATND-CYBMUJFWSA-N 1 2 358.398 2.836 20 5 FFBDLO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000272489363 252050648 /nfs/dbraw/zinc/05/06/48/252050648.db2.gz VXASCSZHIFNVTL-UHFFFAOYSA-N 1 2 366.324 2.939 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)[nH]1 ZINC000272616258 252081425 /nfs/dbraw/zinc/08/14/25/252081425.db2.gz HZQHBHHOZOIZBN-CQSZACIVSA-N 1 2 355.354 2.546 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)[nH]1 ZINC000272616258 252081428 /nfs/dbraw/zinc/08/14/28/252081428.db2.gz HZQHBHHOZOIZBN-CQSZACIVSA-N 1 2 355.354 2.546 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1c(F)cncc1F ZINC000285772804 257004249 /nfs/dbraw/zinc/00/42/49/257004249.db2.gz SFXODMIUXAGXOU-VIFPVBQESA-N 1 2 366.324 2.566 20 5 FFBDLO Cc1c[nH+]ccc1OC1CCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000278498814 256319405 /nfs/dbraw/zinc/31/94/05/256319405.db2.gz CRMJNQMXYMGZAK-UHFFFAOYSA-N 1 2 373.413 2.828 20 5 FFBDLO Cc1c[nH+]ccc1OC1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 ZINC000278498814 256319406 /nfs/dbraw/zinc/31/94/06/256319406.db2.gz CRMJNQMXYMGZAK-UHFFFAOYSA-N 1 2 373.413 2.828 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000281271315 256623309 /nfs/dbraw/zinc/62/33/09/256623309.db2.gz BBXTWBMXRANAEI-UHFFFAOYSA-N 1 2 371.397 2.743 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000287413729 257088048 /nfs/dbraw/zinc/08/80/48/257088048.db2.gz DGUNVVKKWOXVAP-LSDHHAIUSA-N 1 2 362.430 2.539 20 5 FFBDLO Nc1ccc(-c2noc([C@H]3COCC[N@@H+]3C3CCCC3)n2)cc1[N+](=O)[O-] ZINC000290255346 257322320 /nfs/dbraw/zinc/32/23/20/257322320.db2.gz UKGUXMRLVYJZGZ-OAHLLOKOSA-N 1 2 359.386 2.543 20 5 FFBDLO Nc1ccc(-c2noc([C@H]3COCC[N@H+]3C3CCCC3)n2)cc1[N+](=O)[O-] ZINC000290255346 257322321 /nfs/dbraw/zinc/32/23/21/257322321.db2.gz UKGUXMRLVYJZGZ-OAHLLOKOSA-N 1 2 359.386 2.543 20 5 FFBDLO C[C@@H](Nc1ccc(Br)cc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000301157680 258030341 /nfs/dbraw/zinc/03/03/41/258030341.db2.gz AQOMVFTVVYECMF-MNOVXSKESA-N 1 2 358.236 2.878 20 5 FFBDLO Cc1cc([N+](=O)[O-])cnc1NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000301196298 258033131 /nfs/dbraw/zinc/03/31/31/258033131.db2.gz ODVKSUSAHDKVQV-KBPBESRZSA-N 1 2 357.414 2.919 20 5 FFBDLO Cc1nn(C)c(N2CC[NH+]([C@H](C)c3ccc(F)cc3F)CC2)c1[N+](=O)[O-] ZINC000301211821 258034324 /nfs/dbraw/zinc/03/43/24/258034324.db2.gz VLXWXDHKTTYCPE-GFCCVEGCSA-N 1 2 365.384 2.798 20 5 FFBDLO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NC[C@H]1C[NH+]2CCN1CC2 ZINC000301808144 258068738 /nfs/dbraw/zinc/06/87/38/258068738.db2.gz ZBGSPMSHTYIIJC-VIFPVBQESA-N 1 2 364.755 2.679 20 5 FFBDLO CC(C)(C)C(=O)N1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000330696629 258168694 /nfs/dbraw/zinc/16/86/94/258168694.db2.gz UVZMXTRQYUVPSD-UHFFFAOYSA-N 1 2 363.458 2.943 20 5 FFBDLO CC(C)(C)C(=O)N1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000330696629 258168695 /nfs/dbraw/zinc/16/86/95/258168695.db2.gz UVZMXTRQYUVPSD-UHFFFAOYSA-N 1 2 363.458 2.943 20 5 FFBDLO Cc1c(NC(=O)[C@@H](C)N(C)Cc2cn3c([nH+]2)CCCC3)cccc1[N+](=O)[O-] ZINC000372996627 512124869 /nfs/dbraw/zinc/12/48/69/512124869.db2.gz LQHSIBSWAKLNHZ-CQSZACIVSA-N 1 2 371.441 2.895 20 5 FFBDLO C[C@H]1c2cccn2CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032627269 506272013 /nfs/dbraw/zinc/27/20/13/506272013.db2.gz NCBYCMZOESQYBA-ZDUSSCGKSA-N 1 2 351.366 2.799 20 5 FFBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@]2(CCO[C@H](C)C2)O1 ZINC000366814171 512197606 /nfs/dbraw/zinc/19/76/06/512197606.db2.gz YFPPIYYTLOLEJD-XNJGSVPQSA-N 1 2 365.386 2.661 20 5 FFBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@]2(CCO[C@H](C)C2)O1 ZINC000366814171 512197612 /nfs/dbraw/zinc/19/76/12/512197612.db2.gz YFPPIYYTLOLEJD-XNJGSVPQSA-N 1 2 365.386 2.661 20 5 FFBDLO COc1ccc(NC(=O)C[NH+]2CCC(OCC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000054323353 506538242 /nfs/dbraw/zinc/53/82/42/506538242.db2.gz IARHOIBZOCOPEU-UHFFFAOYSA-N 1 2 365.430 2.679 20 5 FFBDLO COC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000054394523 506552407 /nfs/dbraw/zinc/55/24/07/506552407.db2.gz YFNYLPCBEKHGTQ-LBPRGKRZSA-N 1 2 369.805 2.604 20 5 FFBDLO COC(=O)C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000054394523 506552412 /nfs/dbraw/zinc/55/24/12/506552412.db2.gz YFNYLPCBEKHGTQ-LBPRGKRZSA-N 1 2 369.805 2.604 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)ccc1NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000042108641 506598081 /nfs/dbraw/zinc/59/80/81/506598081.db2.gz ZHQYXYZSXVIVJT-OAHLLOKOSA-N 1 2 357.863 2.868 20 5 FFBDLO O=C(NCc1cn2ccccc2[nH+]1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000008053553 506617476 /nfs/dbraw/zinc/61/74/76/506617476.db2.gz HHTRQJJHEUORAS-UHFFFAOYSA-N 1 2 365.393 2.773 20 5 FFBDLO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000373347106 512285192 /nfs/dbraw/zinc/28/51/92/512285192.db2.gz VZPKEEMQAYCTOF-LLVKDONJSA-N 1 2 368.315 2.689 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000067035186 506732608 /nfs/dbraw/zinc/73/26/08/506732608.db2.gz GHBIYWAIDMOTCL-LJQANCHMSA-N 1 2 369.421 2.707 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C(=O)NCCn2c(C)[nH+]c3ccccc32)c1 ZINC000067544436 506920693 /nfs/dbraw/zinc/92/06/93/506920693.db2.gz LBDXPASSTSUHKS-UHFFFAOYSA-N 1 2 354.366 2.692 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000067754623 506998990 /nfs/dbraw/zinc/99/89/90/506998990.db2.gz GFZLIIXYUPPLJK-UHFFFAOYSA-N 1 2 370.340 2.858 20 5 FFBDLO C[C@@H](C(=O)Nc1cccc(F)c1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000014923886 507004219 /nfs/dbraw/zinc/00/42/19/507004219.db2.gz RIWFESXOUAQLKP-AWEZNQCLSA-N 1 2 372.400 2.883 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH+](Cc2ccsc2)CC1 ZINC000015106188 507020341 /nfs/dbraw/zinc/02/03/41/507020341.db2.gz SVMITORIXGUEDJ-UHFFFAOYSA-N 1 2 374.466 2.721 20 5 FFBDLO COc1ccc(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)cc1[N+](=O)[O-] ZINC000018837031 507152323 /nfs/dbraw/zinc/15/23/23/507152323.db2.gz QDIFZQMMKDLVRG-UHFFFAOYSA-N 1 2 369.421 2.870 20 5 FFBDLO CN1CC[NH+](Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000057273823 507225356 /nfs/dbraw/zinc/22/53/56/507225356.db2.gz MUZBNMWAWZLRPC-UHFFFAOYSA-N 1 2 354.410 2.595 20 5 FFBDLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C[C@H]1C ZINC000425441880 513567932 /nfs/dbraw/zinc/56/79/32/513567932.db2.gz IVANHQGRBZKEFA-ZWNOBZJWSA-N 1 2 371.231 2.988 20 5 FFBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C[C@H]1C ZINC000425441880 513567944 /nfs/dbraw/zinc/56/79/44/513567944.db2.gz IVANHQGRBZKEFA-ZWNOBZJWSA-N 1 2 371.231 2.988 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000025398636 507496545 /nfs/dbraw/zinc/49/65/45/507496545.db2.gz BYDDVIIOPFIPQR-UHFFFAOYSA-N 1 2 371.393 2.745 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000025398636 507496550 /nfs/dbraw/zinc/49/65/50/507496550.db2.gz BYDDVIIOPFIPQR-UHFFFAOYSA-N 1 2 371.393 2.745 20 5 FFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000027544587 507662122 /nfs/dbraw/zinc/66/21/22/507662122.db2.gz OPUQMLBWNAZFIM-QGZVFWFLSA-N 1 2 374.485 2.676 20 5 FFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000027544587 507662131 /nfs/dbraw/zinc/66/21/31/507662131.db2.gz OPUQMLBWNAZFIM-QGZVFWFLSA-N 1 2 374.485 2.676 20 5 FFBDLO O=C(COc1ccc([N+](=O)[O-])cc1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000027544754 507662387 /nfs/dbraw/zinc/66/23/87/507662387.db2.gz NDCPFBHMGOMULL-UHFFFAOYSA-N 1 2 366.377 2.535 20 5 FFBDLO O=[N+]([O-])c1ccc(NCc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC000072039268 507739201 /nfs/dbraw/zinc/73/92/01/507739201.db2.gz GOLCKYTXUGHFEY-UHFFFAOYSA-N 1 2 357.410 2.918 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1F ZINC000029086311 507758201 /nfs/dbraw/zinc/75/82/01/507758201.db2.gz UFTXHOUBJHSHMR-MRXNPFEDSA-N 1 2 369.356 2.569 20 5 FFBDLO O=[N+]([O-])c1c(NC[C@H](c2ccccc2)[NH+]2CCOCC2)nc2sccn21 ZINC000029525989 507781868 /nfs/dbraw/zinc/78/18/68/507781868.db2.gz HWGZMLGGZUJVRV-CQSZACIVSA-N 1 2 373.438 2.789 20 5 FFBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1cn2ccccc2[nH+]1 ZINC000072753077 507849633 /nfs/dbraw/zinc/84/96/33/507849633.db2.gz IYXWLQOCVNMCQW-UHFFFAOYSA-N 1 2 353.382 2.751 20 5 FFBDLO CC(C)C(=O)NCC[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000092103658 508044198 /nfs/dbraw/zinc/04/41/98/508044198.db2.gz XWIPZGGYCCAHAO-UHFFFAOYSA-N 1 2 362.455 2.922 20 5 FFBDLO CC(C)C(=O)NCC[N@@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000092103658 508044200 /nfs/dbraw/zinc/04/42/00/508044200.db2.gz XWIPZGGYCCAHAO-UHFFFAOYSA-N 1 2 362.455 2.922 20 5 FFBDLO O=C(NC[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000092783837 508100754 /nfs/dbraw/zinc/10/07/54/508100754.db2.gz NOJGDTYPTQHMHC-HNNXBMFYSA-N 1 2 369.421 2.942 20 5 FFBDLO O=C(NC[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000092783837 508100756 /nfs/dbraw/zinc/10/07/56/508100756.db2.gz NOJGDTYPTQHMHC-HNNXBMFYSA-N 1 2 369.421 2.942 20 5 FFBDLO C[C@H](c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1)[NH+]1CCOCC1 ZINC000111611821 508110476 /nfs/dbraw/zinc/11/04/76/508110476.db2.gz BSEXATOSSCQUIS-CYBMUJFWSA-N 1 2 371.393 2.946 20 5 FFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000081021720 508126818 /nfs/dbraw/zinc/12/68/18/508126818.db2.gz DZDRWXNPTFRCBR-CQSZACIVSA-N 1 2 355.394 2.819 20 5 FFBDLO C[C@H]1CN(C)c2ccccc2C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000083250251 508243176 /nfs/dbraw/zinc/24/31/76/508243176.db2.gz QZTGBBOGKPTGFH-AWEZNQCLSA-N 1 2 354.410 2.874 20 5 FFBDLO C[C@H]1CN(C)c2ccccc2C[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000083250251 508243178 /nfs/dbraw/zinc/24/31/78/508243178.db2.gz QZTGBBOGKPTGFH-AWEZNQCLSA-N 1 2 354.410 2.874 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(NCc2ccc[nH+]c2N2CCC(C(N)=O)CC2)c1 ZINC000088719718 508381865 /nfs/dbraw/zinc/38/18/65/508381865.db2.gz UQINFWLJVIQHJI-UHFFFAOYSA-N 1 2 369.425 2.612 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000089229179 508393151 /nfs/dbraw/zinc/39/31/51/508393151.db2.gz SMZMPFALXCZNSV-HNNXBMFYSA-N 1 2 362.430 2.540 20 5 FFBDLO CC1CCC([NH+]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)CC2)CC1 ZINC000115591578 508414589 /nfs/dbraw/zinc/41/45/89/508414589.db2.gz VFTIAJBFAGFCSF-UHFFFAOYSA-N 1 2 373.500 2.541 20 5 FFBDLO COC(=O)C[C@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000127212209 508415267 /nfs/dbraw/zinc/41/52/67/508415267.db2.gz WHDDTTOROFYJTH-INIZCTEOSA-N 1 2 360.366 2.619 20 5 FFBDLO COC(=O)C[C@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000127212209 508415271 /nfs/dbraw/zinc/41/52/71/508415271.db2.gz WHDDTTOROFYJTH-INIZCTEOSA-N 1 2 360.366 2.619 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000115864446 508449167 /nfs/dbraw/zinc/44/91/67/508449167.db2.gz CRXLVLARCCMUNO-UHFFFAOYSA-N 1 2 356.382 2.529 20 5 FFBDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])C2 ZINC000373558094 512396884 /nfs/dbraw/zinc/39/68/84/512396884.db2.gz XWLLSGPQYGBYSQ-CYBMUJFWSA-N 1 2 371.441 2.775 20 5 FFBDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])CC2 ZINC000373558094 512396887 /nfs/dbraw/zinc/39/68/87/512396887.db2.gz XWLLSGPQYGBYSQ-CYBMUJFWSA-N 1 2 371.441 2.775 20 5 FFBDLO C[C@H]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1n1cc[nH+]c1 ZINC000134032872 508483914 /nfs/dbraw/zinc/48/39/14/508483914.db2.gz WNHHXMKOLVNZCK-WFASDCNBSA-N 1 2 354.370 2.929 20 5 FFBDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000127853316 508510600 /nfs/dbraw/zinc/51/06/00/508510600.db2.gz ZNGFDOUFYUPYFI-UHFFFAOYSA-N 1 2 354.341 2.909 20 5 FFBDLO C[C@@H](C(=O)N1CCc2ccccc21)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153354780 508574153 /nfs/dbraw/zinc/57/41/53/508574153.db2.gz BRWXXCKEVZKXNQ-AWEZNQCLSA-N 1 2 351.406 2.931 20 5 FFBDLO C[C@@H](C(=O)N1CCc2ccccc21)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153354780 508574157 /nfs/dbraw/zinc/57/41/57/508574157.db2.gz BRWXXCKEVZKXNQ-AWEZNQCLSA-N 1 2 351.406 2.931 20 5 FFBDLO O=C(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)NCc1cccc(Cl)c1 ZINC000153396483 508579323 /nfs/dbraw/zinc/57/93/23/508579323.db2.gz NIWOPRYPBPTKLR-UHFFFAOYSA-N 1 2 359.813 2.923 20 5 FFBDLO O=C(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)NCc1cccc(Cl)c1 ZINC000153396483 508579327 /nfs/dbraw/zinc/57/93/27/508579327.db2.gz NIWOPRYPBPTKLR-UHFFFAOYSA-N 1 2 359.813 2.923 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117623654 508608187 /nfs/dbraw/zinc/60/81/87/508608187.db2.gz XEHUMUXSIGJGQF-UHFFFAOYSA-N 1 2 352.350 2.719 20 5 FFBDLO C[C@@H](c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1)[NH+]1CCOCC1 ZINC000157819646 508617313 /nfs/dbraw/zinc/61/73/13/508617313.db2.gz WZNZPVWFBWIMRZ-ZDUSSCGKSA-N 1 2 371.393 2.946 20 5 FFBDLO CC(C)n1cnnc1[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000118859998 508686645 /nfs/dbraw/zinc/68/66/45/508686645.db2.gz JAWVNIJXGFDNQU-AWEZNQCLSA-N 1 2 372.429 2.585 20 5 FFBDLO CC(C)n1cnnc1[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000118859998 508686649 /nfs/dbraw/zinc/68/66/49/508686649.db2.gz JAWVNIJXGFDNQU-AWEZNQCLSA-N 1 2 372.429 2.585 20 5 FFBDLO Cc1c(Br)cc(C(=O)N(C)Cc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000119319617 508772421 /nfs/dbraw/zinc/77/24/21/508772421.db2.gz DDRAGXHWRWASPH-UHFFFAOYSA-N 1 2 367.203 2.671 20 5 FFBDLO C[C@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000119640502 508834598 /nfs/dbraw/zinc/83/45/98/508834598.db2.gz XWQTZRCCVHVBBH-JTQLQIEISA-N 1 2 369.830 2.746 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000155279522 508964606 /nfs/dbraw/zinc/96/46/06/508964606.db2.gz ZUWCJZWCPMBMRW-UHFFFAOYSA-N 1 2 356.382 2.696 20 5 FFBDLO C[C@@H](C(=O)NC(=O)Nc1ccccc1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000132586228 509048832 /nfs/dbraw/zinc/04/88/32/509048832.db2.gz AYMWHJQJKKMFBG-ZDUSSCGKSA-N 1 2 368.393 2.690 20 5 FFBDLO C[C@@H](C(=O)NC(=O)Nc1ccccc1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000132586228 509048838 /nfs/dbraw/zinc/04/88/38/509048838.db2.gz AYMWHJQJKKMFBG-ZDUSSCGKSA-N 1 2 368.393 2.690 20 5 FFBDLO Cc1nc(C2([NH2+]CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CCCC2)no1 ZINC000161587530 509133212 /nfs/dbraw/zinc/13/32/12/509133212.db2.gz VNOKKUDGGXSWEM-UHFFFAOYSA-N 1 2 373.413 2.982 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CCc2ccccc2F)CC1 ZINC000121339785 509167874 /nfs/dbraw/zinc/16/78/74/509167874.db2.gz VDJIFMJDGLYCJW-UHFFFAOYSA-N 1 2 363.414 2.796 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CCC[N@H+](Cc3cscn3)CC2)c([N+](=O)[O-])c1 ZINC000263865832 509194300 /nfs/dbraw/zinc/19/43/00/509194300.db2.gz BRLQMIVKBQQLEX-UHFFFAOYSA-N 1 2 363.399 2.672 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CCC[N@@H+](Cc3cscn3)CC2)c([N+](=O)[O-])c1 ZINC000263865832 509194309 /nfs/dbraw/zinc/19/43/09/509194309.db2.gz BRLQMIVKBQQLEX-UHFFFAOYSA-N 1 2 363.399 2.672 20 5 FFBDLO Cc1c(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000263949273 509243789 /nfs/dbraw/zinc/24/37/89/509243789.db2.gz NRUHXAKEOWBOPW-LBPRGKRZSA-N 1 2 373.369 2.863 20 5 FFBDLO Cc1nc(C)c(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000172832950 509261585 /nfs/dbraw/zinc/26/15/85/509261585.db2.gz AMIJCAHONLHOTA-UHFFFAOYSA-N 1 2 360.439 2.626 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)c1 ZINC000264218084 509388859 /nfs/dbraw/zinc/38/88/59/509388859.db2.gz VRYXREYZCKUZIR-UHFFFAOYSA-N 1 2 372.303 2.634 20 5 FFBDLO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000192494548 509538514 /nfs/dbraw/zinc/53/85/14/509538514.db2.gz YOFBJUAXNKFDMP-QGZVFWFLSA-N 1 2 373.457 2.913 20 5 FFBDLO COC(=O)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1C ZINC000248917473 509544779 /nfs/dbraw/zinc/54/47/79/509544779.db2.gz UUJHNJSXPVILJB-GXFFZTMASA-N 1 2 358.341 2.827 20 5 FFBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1C ZINC000248917473 509544782 /nfs/dbraw/zinc/54/47/82/509544782.db2.gz UUJHNJSXPVILJB-GXFFZTMASA-N 1 2 358.341 2.827 20 5 FFBDLO CC[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@@H](O)C(F)(F)F ZINC000189444168 509579334 /nfs/dbraw/zinc/57/93/34/509579334.db2.gz KCODKHUXTZFIIF-CYBMUJFWSA-N 1 2 359.304 2.995 20 5 FFBDLO CC[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@@H](O)C(F)(F)F ZINC000189444168 509579339 /nfs/dbraw/zinc/57/93/39/509579339.db2.gz KCODKHUXTZFIIF-CYBMUJFWSA-N 1 2 359.304 2.995 20 5 FFBDLO O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000183382406 509751983 /nfs/dbraw/zinc/75/19/83/509751983.db2.gz PRQFDTCMBWHCKE-UHFFFAOYSA-N 1 2 358.379 2.722 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000170789242 509778212 /nfs/dbraw/zinc/77/82/12/509778212.db2.gz GZTIMBXEXZBZQY-GOSISDBHSA-N 1 2 373.384 2.852 20 5 FFBDLO Cc1c(C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)cccc1[N+](=O)[O-] ZINC000265203837 509918926 /nfs/dbraw/zinc/91/89/26/509918926.db2.gz DTKHMYHRFYPART-HNNXBMFYSA-N 1 2 354.410 2.817 20 5 FFBDLO COc1coc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1=O ZINC000268534946 509995646 /nfs/dbraw/zinc/99/56/46/509995646.db2.gz JOZXPCJFOTYXGZ-UHFFFAOYSA-N 1 2 360.366 2.600 20 5 FFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCCN(c3nccs3)CC2)c([N+](=O)[O-])c1 ZINC000193799307 510076459 /nfs/dbraw/zinc/07/64/59/510076459.db2.gz RGDDVOWYLYZOCF-UHFFFAOYSA-N 1 2 363.399 2.672 20 5 FFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCCN(c3nccs3)CC2)c([N+](=O)[O-])c1 ZINC000193799307 510076462 /nfs/dbraw/zinc/07/64/62/510076462.db2.gz RGDDVOWYLYZOCF-UHFFFAOYSA-N 1 2 363.399 2.672 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000184139322 510156091 /nfs/dbraw/zinc/15/60/91/510156091.db2.gz UUUREEPNZDQXJU-QGZVFWFLSA-N 1 2 355.394 2.732 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000184139322 510156094 /nfs/dbraw/zinc/15/60/94/510156094.db2.gz UUUREEPNZDQXJU-QGZVFWFLSA-N 1 2 355.394 2.732 20 5 FFBDLO O=[N+]([O-])c1ccc(CNc2ccccc2C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000194136658 510233299 /nfs/dbraw/zinc/23/32/99/510233299.db2.gz WAVKGYCQKXXGMN-UHFFFAOYSA-N 1 2 372.381 2.947 20 5 FFBDLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181220755 510308777 /nfs/dbraw/zinc/30/87/77/510308777.db2.gz HRPNPNNLZXUFDA-UHFFFAOYSA-N 1 2 352.306 2.966 20 5 FFBDLO C[C@@H]1CO[C@@H](c2ccccc2Cl)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174857941 510347527 /nfs/dbraw/zinc/34/75/27/510347527.db2.gz OCNDYRLUJIDULW-MLGOLLRUSA-N 1 2 350.806 2.907 20 5 FFBDLO C[C@@H]1CO[C@@H](c2ccccc2Cl)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174857941 510347533 /nfs/dbraw/zinc/34/75/33/510347533.db2.gz OCNDYRLUJIDULW-MLGOLLRUSA-N 1 2 350.806 2.907 20 5 FFBDLO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000194745718 510507808 /nfs/dbraw/zinc/50/78/08/510507808.db2.gz VSOFVONVRIMEFS-OAHLLOKOSA-N 1 2 355.394 2.552 20 5 FFBDLO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000194745718 510507816 /nfs/dbraw/zinc/50/78/16/510507816.db2.gz VSOFVONVRIMEFS-OAHLLOKOSA-N 1 2 355.394 2.552 20 5 FFBDLO C[C@@H](C(=O)N1CC[NH+](Cc2ccccn2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000184774307 510510105 /nfs/dbraw/zinc/51/01/05/510510105.db2.gz LZZOXPSAVQLNGO-CQSZACIVSA-N 1 2 372.400 2.577 20 5 FFBDLO Cc1cc(NCC2(CO)CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000269724516 510526662 /nfs/dbraw/zinc/52/66/62/510526662.db2.gz QYZJWFXUMVPCNU-UHFFFAOYSA-N 1 2 358.398 2.561 20 5 FFBDLO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000181676133 510534677 /nfs/dbraw/zinc/53/46/77/510534677.db2.gz OHGQDIRTLYLCGU-GOSISDBHSA-N 1 2 355.394 2.731 20 5 FFBDLO O=[N+]([O-])c1cnc(N[C@H]2CCN(c3cccc[nH+]3)C2)c(Br)c1 ZINC000269893190 510587932 /nfs/dbraw/zinc/58/79/32/510587932.db2.gz WVKZQOKNGUKGLY-JTQLQIEISA-N 1 2 364.203 2.838 20 5 FFBDLO C[C@H](CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1)[N@H+](C)Cc1ccccc1 ZINC000175386072 510619592 /nfs/dbraw/zinc/61/95/92/510619592.db2.gz DGQCWWGDHDMWNB-CQSZACIVSA-N 1 2 357.410 2.941 20 5 FFBDLO C[C@H](CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1)[N@@H+](C)Cc1ccccc1 ZINC000175386072 510619599 /nfs/dbraw/zinc/61/95/99/510619599.db2.gz DGQCWWGDHDMWNB-CQSZACIVSA-N 1 2 357.410 2.941 20 5 FFBDLO CO[C@@]1(C)C[C@H]([N@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000181935109 510668830 /nfs/dbraw/zinc/66/88/30/510668830.db2.gz XXANJTMNHHGBBA-RDJZCZTQSA-N 1 2 370.471 2.504 20 5 FFBDLO CO[C@@]1(C)C[C@H]([N@@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000181935109 510668833 /nfs/dbraw/zinc/66/88/33/510668833.db2.gz XXANJTMNHHGBBA-RDJZCZTQSA-N 1 2 370.471 2.504 20 5 FFBDLO COc1cccc(NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)c1[N+](=O)[O-] ZINC000185182981 510734170 /nfs/dbraw/zinc/73/41/70/510734170.db2.gz IGKWNJVIQFCQDJ-CYBMUJFWSA-N 1 2 358.398 2.836 20 5 FFBDLO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1nc(C(C)(C)C)no1 ZINC000185195354 510741228 /nfs/dbraw/zinc/74/12/28/510741228.db2.gz VLQWHKGBDZNNCM-FZMZJTMJSA-N 1 2 373.413 2.731 20 5 FFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178832638 510794722 /nfs/dbraw/zinc/79/47/22/510794722.db2.gz DPBHADTTYAWFFZ-STQMWFEESA-N 1 2 363.414 2.585 20 5 FFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178832638 510794727 /nfs/dbraw/zinc/79/47/27/510794727.db2.gz DPBHADTTYAWFFZ-STQMWFEESA-N 1 2 363.414 2.585 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CCn2cc[nH+]c2-c2ccccc2)cc1 ZINC000182248241 510832690 /nfs/dbraw/zinc/83/26/90/510832690.db2.gz KQOMSVPONATAPH-UHFFFAOYSA-N 1 2 357.391 2.932 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](NCc1ncnn1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000282438095 510977627 /nfs/dbraw/zinc/97/76/27/510977627.db2.gz FQZMKYREUQIRAU-INIZCTEOSA-N 1 2 369.429 2.554 20 5 FFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c2c(c1)COCO2 ZINC000289703699 511111343 /nfs/dbraw/zinc/11/13/43/511111343.db2.gz WKGNBJFIEBZCIH-FUHWJXTLSA-N 1 2 360.410 2.995 20 5 FFBDLO O=[N+]([O-])c1cc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c2c(c1)COCO2 ZINC000289703699 511111346 /nfs/dbraw/zinc/11/13/46/511111346.db2.gz WKGNBJFIEBZCIH-FUHWJXTLSA-N 1 2 360.410 2.995 20 5 FFBDLO CCOc1cc(N2CC[NH+](Cc3ccnn3CC)CC2)ccc1[N+](=O)[O-] ZINC000279635462 511155254 /nfs/dbraw/zinc/15/52/54/511155254.db2.gz CIPZASQYXMZGKV-UHFFFAOYSA-N 1 2 359.430 2.532 20 5 FFBDLO Cc1cc(N2C[C@@H](C)O[C@@]3(CCOC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000280119435 511341639 /nfs/dbraw/zinc/34/16/39/511341639.db2.gz CLPNKTIOJDIVRR-KUHUBIRLSA-N 1 2 370.409 2.744 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000280267130 511399530 /nfs/dbraw/zinc/39/95/30/511399530.db2.gz CUQWAJLFTUYSIV-KSSFIOAISA-N 1 2 350.415 2.762 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000280267130 511399533 /nfs/dbraw/zinc/39/95/33/511399533.db2.gz CUQWAJLFTUYSIV-KSSFIOAISA-N 1 2 350.415 2.762 20 5 FFBDLO CN(C)C(=O)Cc1nc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cs1 ZINC000292179656 511495868 /nfs/dbraw/zinc/49/58/68/511495868.db2.gz QLKDBRQDIXYIHA-UHFFFAOYSA-N 1 2 362.455 2.707 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000295773174 511510932 /nfs/dbraw/zinc/51/09/32/511510932.db2.gz CRROWYHMYXEYBB-MRXNPFEDSA-N 1 2 358.398 2.707 20 5 FFBDLO Cc1cc(F)c(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000283859097 511524140 /nfs/dbraw/zinc/52/41/40/511524140.db2.gz HVRQGGBRVNRSNJ-LBPRGKRZSA-N 1 2 359.361 2.838 20 5 FFBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000299132205 511527450 /nfs/dbraw/zinc/52/74/50/511527450.db2.gz DTARRXPOIUOYGB-CQSZACIVSA-N 1 2 357.414 2.600 20 5 FFBDLO COCC[C@H]1COCCN1c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000292279697 511535941 /nfs/dbraw/zinc/53/59/41/511535941.db2.gz JMMQDZJMSYBCTN-INIZCTEOSA-N 1 2 358.398 2.602 20 5 FFBDLO CCC(=O)c1ccc(NC[C@H](C)C[NH+]2CCN(CC)CC2)c([N+](=O)[O-])c1 ZINC000280631912 511540808 /nfs/dbraw/zinc/54/08/08/511540808.db2.gz CKHYYJQEFACTQR-HNNXBMFYSA-N 1 2 362.474 2.873 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000296031167 511595148 /nfs/dbraw/zinc/59/51/48/511595148.db2.gz XURIXCLMYQFXIN-KRWDZBQOSA-N 1 2 370.409 2.901 20 5 FFBDLO CCn1ccnc1[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000280976451 511675142 /nfs/dbraw/zinc/67/51/42/511675142.db2.gz KXFDZUQITOYLSW-DOTOQJQBSA-N 1 2 374.441 2.778 20 5 FFBDLO CCn1ccnc1[C@H]1CCCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000280976451 511675145 /nfs/dbraw/zinc/67/51/45/511675145.db2.gz KXFDZUQITOYLSW-DOTOQJQBSA-N 1 2 374.441 2.778 20 5 FFBDLO Cn1nccc1CC[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284327952 511685127 /nfs/dbraw/zinc/68/51/27/511685127.db2.gz BKDBUOJSCLPKHQ-UHFFFAOYSA-N 1 2 365.231 2.692 20 5 FFBDLO Cn1nccc1CC[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284327952 511685134 /nfs/dbraw/zinc/68/51/34/511685134.db2.gz BKDBUOJSCLPKHQ-UHFFFAOYSA-N 1 2 365.231 2.692 20 5 FFBDLO Cc1cc(N2CC[NH+](CC(=O)NC3CCC(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000303209451 511729098 /nfs/dbraw/zinc/72/90/98/511729098.db2.gz QSGLWOQLZZHJPS-UHFFFAOYSA-N 1 2 374.485 2.720 20 5 FFBDLO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000274208275 511754854 /nfs/dbraw/zinc/75/48/54/511754854.db2.gz SQDBGFYVRSXLAB-MRXNPFEDSA-N 1 2 371.458 2.955 20 5 FFBDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000274208275 511754858 /nfs/dbraw/zinc/75/48/58/511754858.db2.gz SQDBGFYVRSXLAB-MRXNPFEDSA-N 1 2 371.458 2.955 20 5 FFBDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293165654 511866299 /nfs/dbraw/zinc/86/62/99/511866299.db2.gz RRKWWTHNNDBYFD-NXEZZACHSA-N 1 2 368.377 2.867 20 5 FFBDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293165654 511866302 /nfs/dbraw/zinc/86/63/02/511866302.db2.gz RRKWWTHNNDBYFD-NXEZZACHSA-N 1 2 368.377 2.867 20 5 FFBDLO CCCc1n[nH]c(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1[N+](=O)[O-] ZINC000364012711 511905312 /nfs/dbraw/zinc/90/53/12/511905312.db2.gz QWXWRJZKRNMFEC-UHFFFAOYSA-N 1 2 372.360 2.525 20 5 FFBDLO CCn1cc[nH+]c1[C@H]1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000281627075 511912975 /nfs/dbraw/zinc/91/29/75/511912975.db2.gz LLMPJCVOUXAVPI-CQSZACIVSA-N 1 2 364.427 2.727 20 5 FFBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000281930310 512015078 /nfs/dbraw/zinc/01/50/78/512015078.db2.gz VYTWZFUQMUHTIK-CYBMUJFWSA-N 1 2 372.381 2.907 20 5 FFBDLO CCOc1cc(C[N@@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000373809886 512515776 /nfs/dbraw/zinc/51/57/76/512515776.db2.gz KOHXHFVGDUSSSZ-KBXCAEBGSA-N 1 2 350.415 2.763 20 5 FFBDLO CCOc1cc(C[N@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000373809886 512515779 /nfs/dbraw/zinc/51/57/79/512515779.db2.gz KOHXHFVGDUSSSZ-KBXCAEBGSA-N 1 2 350.415 2.763 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000375948064 512583491 /nfs/dbraw/zinc/58/34/91/512583491.db2.gz NGLODKDNVPOTIP-CQSZACIVSA-N 1 2 369.425 2.922 20 5 FFBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000374383067 512805414 /nfs/dbraw/zinc/80/54/14/512805414.db2.gz CRZOAPRYRVAWQK-QFBILLFUSA-N 1 2 368.437 2.732 20 5 FFBDLO Cc1nc([C@@](C)([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C2CC2)no1 ZINC000411781184 512808276 /nfs/dbraw/zinc/80/82/76/512808276.db2.gz IZGDKDUTKFRFQA-KRWDZBQOSA-N 1 2 359.386 2.530 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411958958 512890041 /nfs/dbraw/zinc/89/00/41/512890041.db2.gz XWFLUKIOMIXELO-DOTOQJQBSA-N 1 2 355.394 2.650 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411958958 512890044 /nfs/dbraw/zinc/89/00/44/512890044.db2.gz XWFLUKIOMIXELO-DOTOQJQBSA-N 1 2 355.394 2.650 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000374685525 512954594 /nfs/dbraw/zinc/95/45/94/512954594.db2.gz DXMQWJSZEXJIHB-OAHLLOKOSA-N 1 2 357.366 2.682 20 5 FFBDLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000368470293 512963493 /nfs/dbraw/zinc/96/34/93/512963493.db2.gz LTWXDEFZJLQFPU-UHFFFAOYSA-N 1 2 370.417 2.528 20 5 FFBDLO Nc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccccc3Cl)C2)cc1[N+](=O)[O-] ZINC000374874686 513049739 /nfs/dbraw/zinc/04/97/39/513049739.db2.gz KGUOHHSCOPQZGQ-OAHLLOKOSA-N 1 2 360.801 2.617 20 5 FFBDLO CC[C@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000439639155 513154885 /nfs/dbraw/zinc/15/48/85/513154885.db2.gz AJAPTOOSKRLZBP-LBPRGKRZSA-N 1 2 354.370 2.846 20 5 FFBDLO Cc1ccc(-n2c[nH+]c3c2CCN(c2ncc([N+](=O)[O-])c(C)n2)C3)cc1 ZINC000450478329 513213843 /nfs/dbraw/zinc/21/38/43/513213843.db2.gz FNGKCTSDPHASQA-UHFFFAOYSA-N 1 2 350.382 2.750 20 5 FFBDLO CCc1cc(N[C@@H](C)Cc2cnn(C)c2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450841802 513363996 /nfs/dbraw/zinc/36/39/96/513363996.db2.gz LKSZPZXJRXYLCX-ZDUSSCGKSA-N 1 2 366.425 2.813 20 5 FFBDLO CN(C)C(=O)c1ccccc1C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418083479 513364748 /nfs/dbraw/zinc/36/47/48/513364748.db2.gz SGSVBNMSZLGFDR-UHFFFAOYSA-N 1 2 355.394 2.691 20 5 FFBDLO CN(C)C(=O)c1ccccc1C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418083479 513364755 /nfs/dbraw/zinc/36/47/55/513364755.db2.gz SGSVBNMSZLGFDR-UHFFFAOYSA-N 1 2 355.394 2.691 20 5 FFBDLO Cn1cc(N2CCC[C@@H](Nc3[nH+]ccc4ccc([N+](=O)[O-])cc43)C2)cn1 ZINC000413166263 513494828 /nfs/dbraw/zinc/49/48/28/513494828.db2.gz UBSIKBJGYBNHJA-CQSZACIVSA-N 1 2 352.398 2.957 20 5 FFBDLO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@H](CC)O1 ZINC000421979971 513501617 /nfs/dbraw/zinc/50/16/17/513501617.db2.gz OIARMUWAOCFJFP-GASCZTMLSA-N 1 2 358.398 2.810 20 5 FFBDLO CC(=O)N(C)C1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425405744 513548059 /nfs/dbraw/zinc/54/80/59/513548059.db2.gz YXGJCJHPWUIECH-UHFFFAOYSA-N 1 2 370.247 2.800 20 5 FFBDLO CC(C)CN1C[C@@H]2CN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)CCN2C1=O ZINC000413258256 513552557 /nfs/dbraw/zinc/55/25/57/513552557.db2.gz CCWJTWKQIBWAPU-INIZCTEOSA-N 1 2 369.425 2.725 20 5 FFBDLO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1(F)F ZINC000451170955 513566510 /nfs/dbraw/zinc/56/65/10/513566510.db2.gz LWZJKIJDMBGZCJ-NSHDSACASA-N 1 2 350.325 2.898 20 5 FFBDLO COCCO[C@@H]1CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425450687 513573004 /nfs/dbraw/zinc/57/30/04/513573004.db2.gz VBZYZRFYIRVBCD-CYBMUJFWSA-N 1 2 359.220 2.595 20 5 FFBDLO COCCO[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425450687 513573011 /nfs/dbraw/zinc/57/30/11/513573011.db2.gz VBZYZRFYIRVBCD-CYBMUJFWSA-N 1 2 359.220 2.595 20 5 FFBDLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)s1 ZINC000425485181 513592908 /nfs/dbraw/zinc/59/29/08/513592908.db2.gz JSOMNBSWLOPYPS-SECBINFHSA-N 1 2 351.384 2.697 20 5 FFBDLO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000447840321 513594031 /nfs/dbraw/zinc/59/40/31/513594031.db2.gz RCZAIAVGFDHZKP-NEPJUHHUSA-N 1 2 355.822 2.812 20 5 FFBDLO C[C@@H](O)C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000447840321 513594036 /nfs/dbraw/zinc/59/40/36/513594036.db2.gz RCZAIAVGFDHZKP-NEPJUHHUSA-N 1 2 355.822 2.812 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@@H]1[C@H]1CCCO1 ZINC000451551022 513828140 /nfs/dbraw/zinc/82/81/40/513828140.db2.gz VVSCGDIXCFBDBL-NVXWUHKLSA-N 1 2 356.382 2.564 20 5 FFBDLO CC[NH+]1CCN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000436950131 514044966 /nfs/dbraw/zinc/04/49/66/514044966.db2.gz MGMFUZFLTBOJKN-UHFFFAOYSA-N 1 2 370.409 2.695 20 5 FFBDLO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000436959044 514051678 /nfs/dbraw/zinc/05/16/78/514051678.db2.gz LIAMSNQORAISHD-UKRRQHHQSA-N 1 2 355.394 2.866 20 5 FFBDLO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000436959044 514051687 /nfs/dbraw/zinc/05/16/87/514051687.db2.gz LIAMSNQORAISHD-UKRRQHHQSA-N 1 2 355.394 2.866 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000452055193 514165151 /nfs/dbraw/zinc/16/51/51/514165151.db2.gz RIQVAYUYMQLTRM-GJZGRUSLSA-N 1 2 371.441 2.544 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000452055193 514165155 /nfs/dbraw/zinc/16/51/55/514165155.db2.gz RIQVAYUYMQLTRM-GJZGRUSLSA-N 1 2 371.441 2.544 20 5 FFBDLO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cn(-c2ccccc2)nn1 ZINC000444681989 514290505 /nfs/dbraw/zinc/29/05/05/514290505.db2.gz YBPALVWPMOHDFE-LBPRGKRZSA-N 1 2 363.381 2.903 20 5 FFBDLO CC[C@@H]1C[N@H+](CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCO1 ZINC000427740974 514298752 /nfs/dbraw/zinc/29/87/52/514298752.db2.gz KXPJZCJRHPKTDB-CQSZACIVSA-N 1 2 363.439 2.650 20 5 FFBDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCO1 ZINC000427740974 514298758 /nfs/dbraw/zinc/29/87/58/514298758.db2.gz KXPJZCJRHPKTDB-CQSZACIVSA-N 1 2 363.439 2.650 20 5 FFBDLO O=C(NC[C@H]1CCOC2(CCC2)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452725220 514475654 /nfs/dbraw/zinc/47/56/54/514475654.db2.gz RRDAFJNLSOGYSR-AWEZNQCLSA-N 1 2 370.409 2.860 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000475020919 514526332 /nfs/dbraw/zinc/52/63/32/514526332.db2.gz UVBQCBPKJJLXMV-UHFFFAOYSA-N 1 2 354.366 2.729 20 5 FFBDLO COc1ccc(NC(=O)N2CCN(c3c[nH+]ccc3C)CC2)cc1[N+](=O)[O-] ZINC000439364107 514539098 /nfs/dbraw/zinc/53/90/98/514539098.db2.gz HDNRDYMZVHFVIG-UHFFFAOYSA-N 1 2 371.397 2.661 20 5 FFBDLO O=[N+]([O-])c1cccc2c1ccnc2NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000450242744 514560967 /nfs/dbraw/zinc/56/09/67/514560967.db2.gz AOSYUGMOTQGKGW-UHFFFAOYSA-N 1 2 365.393 2.987 20 5 FFBDLO COCCC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000475155453 514574887 /nfs/dbraw/zinc/57/48/87/514574887.db2.gz JWAVLWUQFLENMQ-UHFFFAOYSA-N 1 2 373.409 2.536 20 5 FFBDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000475348300 514629902 /nfs/dbraw/zinc/62/99/02/514629902.db2.gz KYAAUTOPYKPXQO-CYBMUJFWSA-N 1 2 363.849 2.861 20 5 FFBDLO C[C@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])c(N)c3F)c[nH+]2)CCO1 ZINC000471256972 514815941 /nfs/dbraw/zinc/81/59/41/514815941.db2.gz JWNXCIBBNGARQV-NSHDSACASA-N 1 2 361.377 2.548 20 5 FFBDLO Cc1cccc(CCNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])[nH+]1 ZINC000480490599 514974585 /nfs/dbraw/zinc/97/45/85/514974585.db2.gz HRMSKHOLYBXHQD-UHFFFAOYSA-N 1 2 356.426 2.785 20 5 FFBDLO COC(=O)C[C@](C)([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)c1ccccn1 ZINC000509139974 515041667 /nfs/dbraw/zinc/04/16/67/515041667.db2.gz ORURZCABJUZYJJ-SFHVURJKSA-N 1 2 359.382 2.567 20 5 FFBDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000476475814 515062877 /nfs/dbraw/zinc/06/28/77/515062877.db2.gz HUANICXPRBLXJX-UHFFFAOYSA-N 1 2 374.347 2.890 20 5 FFBDLO CC1CC[NH+](Cc2csc(NC(=O)c3ccc([N+](=O)[O-])n3C)n2)CC1 ZINC000509236544 515086349 /nfs/dbraw/zinc/08/63/49/515086349.db2.gz PWIJNUODYVSYAK-UHFFFAOYSA-N 1 2 363.443 2.874 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCOc1ccccc1 ZINC000472041688 515097652 /nfs/dbraw/zinc/09/76/52/515097652.db2.gz ABYKFBOWPOULLN-UHFFFAOYSA-N 1 2 357.410 2.918 20 5 FFBDLO CO[C@]1(C)CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000480832519 515099625 /nfs/dbraw/zinc/09/96/25/515099625.db2.gz ZCUSHXCJZASVFN-LJQANCHMSA-N 1 2 363.458 2.822 20 5 FFBDLO CO[C@@]1(C)CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000480832518 515100184 /nfs/dbraw/zinc/10/01/84/515100184.db2.gz ZCUSHXCJZASVFN-IBGZPJMESA-N 1 2 363.458 2.822 20 5 FFBDLO Cc1ccc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000509777563 515321032 /nfs/dbraw/zinc/32/10/32/515321032.db2.gz MYSTXRFWZCFZDA-UHFFFAOYSA-N 1 2 372.406 2.567 20 5 FFBDLO Cc1[nH+]c2ccc(C(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2n1C ZINC000477092176 515323550 /nfs/dbraw/zinc/32/35/50/515323550.db2.gz CCEBBYUIUPZUSY-UHFFFAOYSA-N 1 2 364.365 2.596 20 5 FFBDLO Cc1cc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c[nH+]c1N1CCCC[C@@H]1C ZINC000504853718 515393420 /nfs/dbraw/zinc/39/34/20/515393420.db2.gz RUEKTTOSLTWDQN-AWEZNQCLSA-N 1 2 372.429 2.902 20 5 FFBDLO Cc1cccc2[nH+]c(CNC(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)cn21 ZINC000486307085 515430090 /nfs/dbraw/zinc/43/00/90/515430090.db2.gz GHZMQAFPAXPSRJ-UHFFFAOYSA-N 1 2 360.320 2.688 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000459288900 515450165 /nfs/dbraw/zinc/45/01/65/515450165.db2.gz GIHRMSCBCJAMJQ-AWEZNQCLSA-N 1 2 361.402 2.518 20 5 FFBDLO COc1cc(C[NH2+][C@@](C)(C(N)=O)c2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000492994746 515586304 /nfs/dbraw/zinc/58/63/04/515586304.db2.gz QBASKJXVRZDMED-QGZVFWFLSA-N 1 2 363.801 2.747 20 5 FFBDLO COC[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000457035672 515597999 /nfs/dbraw/zinc/59/79/99/515597999.db2.gz LIHYTVXBUYJIDV-CQSZACIVSA-N 1 2 358.398 2.669 20 5 FFBDLO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000486779721 515629822 /nfs/dbraw/zinc/62/98/22/515629822.db2.gz ILNWIWUZTPLNBY-UHFFFAOYSA-N 1 2 350.325 2.545 20 5 FFBDLO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000486779721 515629827 /nfs/dbraw/zinc/62/98/27/515629827.db2.gz ILNWIWUZTPLNBY-UHFFFAOYSA-N 1 2 350.325 2.545 20 5 FFBDLO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000469104235 515673075 /nfs/dbraw/zinc/67/30/75/515673075.db2.gz YZTOZBICSPRWOQ-HNNXBMFYSA-N 1 2 361.423 2.929 20 5 FFBDLO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2c(F)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000505798190 515675469 /nfs/dbraw/zinc/67/54/69/515675469.db2.gz ZDLGUHFMKKJSDC-QLFBSQMISA-N 1 2 351.422 2.808 20 5 FFBDLO C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2c(F)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000505798190 515675475 /nfs/dbraw/zinc/67/54/75/515675475.db2.gz ZDLGUHFMKKJSDC-QLFBSQMISA-N 1 2 351.422 2.808 20 5 FFBDLO COCC1(O)C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000459630907 515708602 /nfs/dbraw/zinc/70/86/02/515708602.db2.gz BKZQIICWRDNNFO-UHFFFAOYSA-N 1 2 352.774 2.701 20 5 FFBDLO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000478127377 515711322 /nfs/dbraw/zinc/71/13/22/515711322.db2.gz XRWUXDIMKLKKDN-UHFFFAOYSA-N 1 2 366.381 2.780 20 5 FFBDLO C[NH+](C)Cc1csc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)n1 ZINC000457319185 515806173 /nfs/dbraw/zinc/80/61/73/515806173.db2.gz WFDAKBCBRZYEJZ-UHFFFAOYSA-N 1 2 372.353 2.967 20 5 FFBDLO COc1ccc(OCC[N@@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC000474225156 515943398 /nfs/dbraw/zinc/94/33/98/515943398.db2.gz DHIZBPLTIGMPEC-CQSZACIVSA-N 1 2 366.414 2.788 20 5 FFBDLO COc1ccc(OCC[N@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC000474225156 515943408 /nfs/dbraw/zinc/94/34/08/515943408.db2.gz DHIZBPLTIGMPEC-CQSZACIVSA-N 1 2 366.414 2.788 20 5 FFBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501072367 515966614 /nfs/dbraw/zinc/96/66/14/515966614.db2.gz IUKFGBOFPCGVEL-VIFPVBQESA-N 1 2 368.191 2.764 20 5 FFBDLO COCCN(C)c1ccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC000483277374 516013659 /nfs/dbraw/zinc/01/36/59/516013659.db2.gz JZYFVLMSWXIHCZ-UHFFFAOYSA-N 1 2 356.426 2.631 20 5 FFBDLO COCCN(C)c1ccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC000483277374 516013666 /nfs/dbraw/zinc/01/36/66/516013666.db2.gz JZYFVLMSWXIHCZ-UHFFFAOYSA-N 1 2 356.426 2.631 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000479118026 516064550 /nfs/dbraw/zinc/06/45/50/516064550.db2.gz CUYBUMKTADBZKB-OAHLLOKOSA-N 1 2 355.394 2.859 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000479118026 516064558 /nfs/dbraw/zinc/06/45/58/516064558.db2.gz CUYBUMKTADBZKB-OAHLLOKOSA-N 1 2 355.394 2.859 20 5 FFBDLO C[C@@H]1CCCN(c2ccc(C(=O)Nc3cc[nH+]cc3O)cc2[N+](=O)[O-])C1 ZINC000512011333 516115076 /nfs/dbraw/zinc/11/50/76/516115076.db2.gz RMAKKXAWKHKUNW-GFCCVEGCSA-N 1 2 356.382 2.606 20 5 FFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000470176476 516163312 /nfs/dbraw/zinc/16/33/12/516163312.db2.gz WOAAZSNHBBRTAM-MHWRWJLKSA-N 1 2 355.442 2.549 20 5 FFBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1cn(-c3ccc(Cl)cc3)nn1)CC2 ZINC000495445461 516165034 /nfs/dbraw/zinc/16/50/34/516165034.db2.gz VWFUFQUBOPLZSV-UHFFFAOYSA-N 1 2 370.800 2.782 20 5 FFBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1cn(-c3ccc(Cl)cc3)nn1)CC2 ZINC000495445461 516165042 /nfs/dbraw/zinc/16/50/42/516165042.db2.gz VWFUFQUBOPLZSV-UHFFFAOYSA-N 1 2 370.800 2.782 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CCN(Cc3[nH]cc[nH+]3)CC2)nc1-c1ccccc1 ZINC000535592457 516415106 /nfs/dbraw/zinc/41/51/06/516415106.db2.gz GNNURYPTKXBXSZ-UHFFFAOYSA-N 1 2 364.409 2.702 20 5 FFBDLO COc1cc(CCNc2nc(C)[nH+]c3c2CCCC3)c([N+](=O)[O-])cc1OC ZINC000543864945 516468202 /nfs/dbraw/zinc/46/82/02/516468202.db2.gz JCJAWROANSEQHQ-UHFFFAOYSA-N 1 2 372.425 2.666 20 5 FFBDLO C[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1c(F)cncc1F ZINC000513260723 516547724 /nfs/dbraw/zinc/54/77/24/516547724.db2.gz JYLKQMRHLZDGPX-BMIGLBTASA-N 1 2 362.336 2.724 20 5 FFBDLO CNc1c(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cccc1[N+](=O)[O-] ZINC000561379834 516551216 /nfs/dbraw/zinc/55/12/16/516551216.db2.gz AJXNMQQQYLCNDG-UHFFFAOYSA-N 1 2 352.354 2.529 20 5 FFBDLO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)c1c(F)cccc1F ZINC000523741371 516564801 /nfs/dbraw/zinc/56/48/01/516564801.db2.gz HRXBBVVMWLFUND-LLVKDONJSA-N 1 2 355.366 2.967 20 5 FFBDLO O=C(NCCCCn1cc[nH+]c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000536538686 516811426 /nfs/dbraw/zinc/81/14/26/516811426.db2.gz LSQKEGPGQJVDSA-UHFFFAOYSA-N 1 2 357.414 2.946 20 5 FFBDLO CC(C)Cn1cc[nH+]c1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514199867 516900074 /nfs/dbraw/zinc/90/00/74/516900074.db2.gz PPCQYECTEFGSBV-UHFFFAOYSA-N 1 2 368.340 2.979 20 5 FFBDLO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541237988 516943410 /nfs/dbraw/zinc/94/34/10/516943410.db2.gz MQFCLFYUBNCSOF-UHFFFAOYSA-N 1 2 371.441 2.922 20 5 FFBDLO CC(C)c1n[nH]c(C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)c1[N+](=O)[O-] ZINC000541267491 516956999 /nfs/dbraw/zinc/95/69/99/516956999.db2.gz VSLREGLNIKGJKV-UHFFFAOYSA-N 1 2 354.370 2.761 20 5 FFBDLO C[C@@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC2(CCC2)O1 ZINC000514725732 517025658 /nfs/dbraw/zinc/02/56/58/517025658.db2.gz RRNLSZDEVBAHGR-OAHLLOKOSA-N 1 2 361.442 2.575 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccccn2)c([N+](=O)[O-])c1 ZINC000532650181 517081490 /nfs/dbraw/zinc/08/14/90/517081490.db2.gz JGTNHOPTOCQDMJ-MRXNPFEDSA-N 1 2 356.382 2.774 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccccn2)c([N+](=O)[O-])c1 ZINC000532650181 517081497 /nfs/dbraw/zinc/08/14/97/517081497.db2.gz JGTNHOPTOCQDMJ-MRXNPFEDSA-N 1 2 356.382 2.774 20 5 FFBDLO Nc1nccc(C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)c1[N+](=O)[O-] ZINC000548713300 517160778 /nfs/dbraw/zinc/16/07/78/517160778.db2.gz ZQVFNPALSOYHTE-UHFFFAOYSA-N 1 2 352.354 2.798 20 5 FFBDLO COc1cc[nH+]cc1CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000515198905 517250476 /nfs/dbraw/zinc/25/04/76/517250476.db2.gz XORGMHRKLDPIBU-UHFFFAOYSA-N 1 2 369.381 2.522 20 5 FFBDLO Cc1cc(NCCc2nccnc2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000549223252 517464242 /nfs/dbraw/zinc/46/42/42/517464242.db2.gz KDNNETUPWLGGGD-UHFFFAOYSA-N 1 2 350.382 2.535 20 5 FFBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000515888053 517505084 /nfs/dbraw/zinc/50/50/84/517505084.db2.gz DHOHANRROSUBPE-AAEUAGOBSA-N 1 2 359.348 2.913 20 5 FFBDLO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000538346394 517577313 /nfs/dbraw/zinc/57/73/13/517577313.db2.gz ODJWVDFKJMMMPH-UHFFFAOYSA-N 1 2 361.373 2.644 20 5 FFBDLO O=C(NCc1ccccc1)C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000549750659 517689119 /nfs/dbraw/zinc/68/91/19/517689119.db2.gz MNDDBGWSFHBLGI-UHFFFAOYSA-N 1 2 369.421 2.829 20 5 FFBDLO CN(C)c1nccc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000542782029 517736347 /nfs/dbraw/zinc/73/63/47/517736347.db2.gz ARHWGTNJNNHRSZ-UHFFFAOYSA-N 1 2 370.438 2.864 20 5 FFBDLO COc1cc(C)[nH+]c(Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)c1 ZINC000538756455 517765012 /nfs/dbraw/zinc/76/50/12/517765012.db2.gz CICDLCFRHGYRGQ-UHFFFAOYSA-N 1 2 352.350 2.579 20 5 FFBDLO Cc1cc(N2CCO[C@@H](COC(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000546732177 517824610 /nfs/dbraw/zinc/82/46/10/517824610.db2.gz QXTIXDLZXOVDIY-QGZVFWFLSA-N 1 2 372.425 2.990 20 5 FFBDLO Cc1cccc(OCC[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000550475492 518076038 /nfs/dbraw/zinc/07/60/38/518076038.db2.gz XTGRKTWKBFXDGD-UHFFFAOYSA-N 1 2 369.421 2.740 20 5 FFBDLO COC(=O)[C@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])C1CCCCC1 ZINC000543546298 518132276 /nfs/dbraw/zinc/13/22/76/518132276.db2.gz NLPFLXKNFOJBBP-QGZVFWFLSA-N 1 2 366.414 2.694 20 5 FFBDLO O=[N+]([O-])c1ccn(C2CCN(c3nc(C4CC4)[nH+]c4c3CCC4)CC2)n1 ZINC000581523960 518326987 /nfs/dbraw/zinc/32/69/87/518326987.db2.gz PXCYROITCIETCZ-UHFFFAOYSA-N 1 2 354.414 2.789 20 5 FFBDLO Cn1c2ccc(C[N@@H+]3CCOc4ccc([N+](=O)[O-])cc4C3)cc2sc1=O ZINC000567434811 518519329 /nfs/dbraw/zinc/51/93/29/518519329.db2.gz IVCWCOFFASCVBO-UHFFFAOYSA-N 1 2 371.418 2.903 20 5 FFBDLO Cn1c2ccc(C[N@H+]3CCOc4ccc([N+](=O)[O-])cc4C3)cc2sc1=O ZINC000567434811 518519333 /nfs/dbraw/zinc/51/93/33/518519333.db2.gz IVCWCOFFASCVBO-UHFFFAOYSA-N 1 2 371.418 2.903 20 5 FFBDLO Cc1cccn2cc(CC(=O)N(C)CCc3ccccc3[N+](=O)[O-])[nH+]c12 ZINC000570993804 518876745 /nfs/dbraw/zinc/87/67/45/518876745.db2.gz YSLBHIGUJJWONO-UHFFFAOYSA-N 1 2 352.394 2.795 20 5 FFBDLO Cc1noc(C)c1C[NH+]1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000589105759 518915896 /nfs/dbraw/zinc/91/58/96/518915896.db2.gz VNVXSUXSUSBACN-UHFFFAOYSA-N 1 2 351.794 2.570 20 5 FFBDLO Cc1c(-c2cc(C[N@@H+]3CCc4c(cccc4[N+](=O)[O-])C3)on2)cnn1C ZINC000574215534 519043004 /nfs/dbraw/zinc/04/30/04/519043004.db2.gz QROFMDAJATZMFJ-UHFFFAOYSA-N 1 2 353.382 2.850 20 5 FFBDLO Cc1c(-c2cc(C[N@H+]3CCc4c(cccc4[N+](=O)[O-])C3)on2)cnn1C ZINC000574215534 519043014 /nfs/dbraw/zinc/04/30/14/519043014.db2.gz QROFMDAJATZMFJ-UHFFFAOYSA-N 1 2 353.382 2.850 20 5 FFBDLO CN(C)c1cccc(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000590205993 519173745 /nfs/dbraw/zinc/17/37/45/519173745.db2.gz AFGBINGIGAFAGK-UHFFFAOYSA-N 1 2 368.437 2.619 20 5 FFBDLO C[C@@H]1CCCN(c2ccc(C(=O)N3CCc4[nH]c[nH+]c4C3)cc2[N+](=O)[O-])C1 ZINC000590378127 519210295 /nfs/dbraw/zinc/21/02/95/519210295.db2.gz FAEQDNKWESWVPO-CYBMUJFWSA-N 1 2 369.425 2.753 20 5 FFBDLO C[C@@H]1CCCN(c2ccc(C(=O)N3CCc4[nH+]c[nH]c4C3)cc2[N+](=O)[O-])C1 ZINC000590378127 519210298 /nfs/dbraw/zinc/21/02/98/519210298.db2.gz FAEQDNKWESWVPO-CYBMUJFWSA-N 1 2 369.425 2.753 20 5 FFBDLO O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CC(Oc2cc[nH+]cc2)C1 ZINC000590629573 519296152 /nfs/dbraw/zinc/29/61/52/519296152.db2.gz MUKAUNVBZWREKY-UHFFFAOYSA-N 1 2 367.283 2.912 20 5 FFBDLO Cc1c(CNC(=O)C[C@H](c2[nH+]ccn2C)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000577862613 519296817 /nfs/dbraw/zinc/29/68/17/519296817.db2.gz DARKAWARRQOUSC-GFCCVEGCSA-N 1 2 370.331 2.989 20 5 FFBDLO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000572154570 519471308 /nfs/dbraw/zinc/47/13/08/519471308.db2.gz BSASIKRNLHJHAV-KRWDZBQOSA-N 1 2 373.457 2.913 20 5 FFBDLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000597295493 519940165 /nfs/dbraw/zinc/94/01/65/519940165.db2.gz CAYXIXXTCMQADF-GUYCJALGSA-N 1 2 358.423 2.628 20 5 FFBDLO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1nnnn1-c1ccccc1 ZINC000594496247 520003657 /nfs/dbraw/zinc/00/36/57/520003657.db2.gz XZZUKGSKSJWOHB-MLGOLLRUSA-N 1 2 350.382 2.909 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2nnn(C3CC(C)C3)c2C1 ZINC000602987054 520007623 /nfs/dbraw/zinc/00/76/23/520007623.db2.gz ZYWZHCXAJUNGCF-UHFFFAOYSA-N 1 2 357.414 2.724 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2nnn(C3CC(C)C3)c2C1 ZINC000602987054 520007631 /nfs/dbraw/zinc/00/76/31/520007631.db2.gz ZYWZHCXAJUNGCF-UHFFFAOYSA-N 1 2 357.414 2.724 20 5 FFBDLO CC[C@H](C)C[C@H](CO)Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000591983673 520120238 /nfs/dbraw/zinc/12/02/38/520120238.db2.gz WQBLGHIWNDPBIN-GOEBONIOSA-N 1 2 351.447 2.636 20 5 FFBDLO COC(=O)[C@H](C[C@@H]1CCCOC1)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000600204313 520122827 /nfs/dbraw/zinc/12/28/27/520122827.db2.gz ABONJAILPMWVLB-VYDXJSESSA-N 1 2 364.442 2.864 20 5 FFBDLO O=C(C[N@@H+]1CCOCC2(CCC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000612746500 520123002 /nfs/dbraw/zinc/12/30/02/520123002.db2.gz QBQTZBKDWDHNFN-UHFFFAOYSA-N 1 2 353.806 2.689 20 5 FFBDLO O=C(C[N@H+]1CCOCC2(CCC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000612746500 520123005 /nfs/dbraw/zinc/12/30/05/520123005.db2.gz QBQTZBKDWDHNFN-UHFFFAOYSA-N 1 2 353.806 2.689 20 5 FFBDLO C[C@@H]1c2ccccc2OCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000609145503 520206897 /nfs/dbraw/zinc/20/68/97/520206897.db2.gz GVXQDVLAUVFSCJ-CQSZACIVSA-N 1 2 367.405 2.940 20 5 FFBDLO C[C@@H]1c2ccccc2OCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000609145503 520206901 /nfs/dbraw/zinc/20/69/01/520206901.db2.gz GVXQDVLAUVFSCJ-CQSZACIVSA-N 1 2 367.405 2.940 20 5 FFBDLO CC1(C)CCC[C@@](CO)(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000600362240 520223100 /nfs/dbraw/zinc/22/31/00/520223100.db2.gz LUECCWUYOPXXMH-LJQANCHMSA-N 1 2 372.425 2.842 20 5 FFBDLO O=[N+]([O-])c1cc(C[NH2+][C@H](CCO)c2ccccc2F)c2c(c1)COCO2 ZINC000592159068 520234513 /nfs/dbraw/zinc/23/45/13/520234513.db2.gz ANJDSNOWPNZRGO-QGZVFWFLSA-N 1 2 362.357 2.814 20 5 FFBDLO Nc1cc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc(CO)c1[N+](=O)[O-] ZINC000613074897 520303539 /nfs/dbraw/zinc/30/35/39/520303539.db2.gz FRJQXOMHEMJBNG-UHFFFAOYSA-N 1 2 357.345 2.606 20 5 FFBDLO CCn1cc[nH+]c1CN1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000609423906 520308457 /nfs/dbraw/zinc/30/84/57/520308457.db2.gz LOIFRBZDQTWSNF-UHFFFAOYSA-N 1 2 366.425 2.682 20 5 FFBDLO CCn1ccnc1C[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000609423906 520308462 /nfs/dbraw/zinc/30/84/62/520308462.db2.gz LOIFRBZDQTWSNF-UHFFFAOYSA-N 1 2 366.425 2.682 20 5 FFBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000597995041 520366077 /nfs/dbraw/zinc/36/60/77/520366077.db2.gz DNTBVAPXTATFQB-NEPJUHHUSA-N 1 2 363.439 2.649 20 5 FFBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000597995041 520366084 /nfs/dbraw/zinc/36/60/84/520366084.db2.gz DNTBVAPXTATFQB-NEPJUHHUSA-N 1 2 363.439 2.649 20 5 FFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000597999888 520367405 /nfs/dbraw/zinc/36/74/05/520367405.db2.gz SSTXFJCZQYMWAA-CHWSQXEVSA-N 1 2 367.471 2.546 20 5 FFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000597999888 520367412 /nfs/dbraw/zinc/36/74/12/520367412.db2.gz SSTXFJCZQYMWAA-CHWSQXEVSA-N 1 2 367.471 2.546 20 5 FFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000597999891 520368026 /nfs/dbraw/zinc/36/80/26/520368026.db2.gz SSTXFJCZQYMWAA-QWHCGFSZSA-N 1 2 367.471 2.546 20 5 FFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000597999891 520368031 /nfs/dbraw/zinc/36/80/31/520368031.db2.gz SSTXFJCZQYMWAA-QWHCGFSZSA-N 1 2 367.471 2.546 20 5 FFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000613317102 520443087 /nfs/dbraw/zinc/44/30/87/520443087.db2.gz UESDMAJIHSANEY-INIZCTEOSA-N 1 2 351.366 2.551 20 5 FFBDLO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])cc1 ZINC000595478385 520497299 /nfs/dbraw/zinc/49/72/99/520497299.db2.gz VLANNZVHTALNJN-SNVBAGLBSA-N 1 2 353.400 2.536 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000595499286 520510748 /nfs/dbraw/zinc/51/07/48/520510748.db2.gz DWLTWVJHMMWUIJ-CQSZACIVSA-N 1 2 370.409 2.817 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000595499286 520510755 /nfs/dbraw/zinc/51/07/55/520510755.db2.gz DWLTWVJHMMWUIJ-CQSZACIVSA-N 1 2 370.409 2.817 20 5 FFBDLO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC2(CCCC2)O1 ZINC000592732795 520549257 /nfs/dbraw/zinc/54/92/57/520549257.db2.gz CCYRGCVTYSMRSS-AWEZNQCLSA-N 1 2 370.409 2.954 20 5 FFBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000592745239 520553499 /nfs/dbraw/zinc/55/34/99/520553499.db2.gz CGWGGSIDUVXAST-UHFFFAOYSA-N 1 2 368.393 2.922 20 5 FFBDLO C[C@H]1CCCN(c2ccc(C(=O)N3CC[NH+](C4CC4)CC3)cc2[N+](=O)[O-])C1 ZINC000604472569 520570723 /nfs/dbraw/zinc/57/07/23/520570723.db2.gz ORVUZOYRAWPZCG-HNNXBMFYSA-N 1 2 372.469 2.751 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc2c1CC[N@@H+](C)C2 ZINC000604490222 520577906 /nfs/dbraw/zinc/57/79/06/520577906.db2.gz MUTPNBQBBOJHPK-UHFFFAOYSA-N 1 2 361.423 2.692 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc2c1CC[N@H+](C)C2 ZINC000604490222 520577912 /nfs/dbraw/zinc/57/79/12/520577912.db2.gz MUTPNBQBBOJHPK-UHFFFAOYSA-N 1 2 361.423 2.692 20 5 FFBDLO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC(Oc2cc[nH+]cc2)C1 ZINC000610292056 520624968 /nfs/dbraw/zinc/62/49/68/520624968.db2.gz VQXOFZXENIHLQZ-UHFFFAOYSA-N 1 2 367.283 2.912 20 5 FFBDLO Cc1[nH+]c2cc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)ccc2n1C ZINC000610310282 520631521 /nfs/dbraw/zinc/63/15/21/520631521.db2.gz HGCUPENIZHSMHS-UHFFFAOYSA-N 1 2 354.322 2.771 20 5 FFBDLO COC(=O)c1ccc2c(c1)C[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C2 ZINC000610369161 520654131 /nfs/dbraw/zinc/65/41/31/520654131.db2.gz QXRUOKJOOIXQHO-UHFFFAOYSA-N 1 2 372.377 2.785 20 5 FFBDLO COC(=O)c1ccc2c(c1)C[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C2 ZINC000610369161 520654137 /nfs/dbraw/zinc/65/41/37/520654137.db2.gz QXRUOKJOOIXQHO-UHFFFAOYSA-N 1 2 372.377 2.785 20 5 FFBDLO C[C@](CO)([NH2+]Cc1ccc(Br)o1)c1cccc([N+](=O)[O-])c1 ZINC000601149375 520661943 /nfs/dbraw/zinc/66/19/43/520661943.db2.gz MKEBHAIKSJPTMK-CQSZACIVSA-N 1 2 355.188 2.948 20 5 FFBDLO O=C(C[N@@H+]1CC[C@H]2C[C@H]2C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000595810278 520741423 /nfs/dbraw/zinc/74/14/23/520741423.db2.gz LMSHDTDBMWRRFB-AAEUAGOBSA-N 1 2 358.423 2.999 20 5 FFBDLO O=C(C[N@H+]1CC[C@H]2C[C@H]2C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000595810278 520741433 /nfs/dbraw/zinc/74/14/33/520741433.db2.gz LMSHDTDBMWRRFB-AAEUAGOBSA-N 1 2 358.423 2.999 20 5 FFBDLO O=C1[C@@H]([NH+]2CCC(c3ccon3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595828072 520750596 /nfs/dbraw/zinc/75/05/96/520750596.db2.gz HVFYASULELYDAQ-KRWDZBQOSA-N 1 2 356.382 2.568 20 5 FFBDLO O=[N+]([O-])c1cc(F)ccc1Cc1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000593298801 520892548 /nfs/dbraw/zinc/89/25/48/520892548.db2.gz CFOSBDMDIQHYEB-DZGCQCFKSA-N 1 2 362.361 2.634 20 5 FFBDLO O=[N+]([O-])c1cc(F)ccc1Cc1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000593298801 520892555 /nfs/dbraw/zinc/89/25/55/520892555.db2.gz CFOSBDMDIQHYEB-DZGCQCFKSA-N 1 2 362.361 2.634 20 5 FFBDLO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000601706316 520913392 /nfs/dbraw/zinc/91/33/92/520913392.db2.gz QHLABEKVFBKXQH-GOEBONIOSA-N 1 2 369.421 2.798 20 5 FFBDLO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000601706316 520913397 /nfs/dbraw/zinc/91/33/97/520913397.db2.gz QHLABEKVFBKXQH-GOEBONIOSA-N 1 2 369.421 2.798 20 5 FFBDLO Cc1c(C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)cccc1[N+](=O)[O-] ZINC000601729999 520922430 /nfs/dbraw/zinc/92/24/30/520922430.db2.gz RYGLCXYPCFBAIS-UHFFFAOYSA-N 1 2 355.394 2.567 20 5 FFBDLO O=C1[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1C1CCC1 ZINC000599020588 520984319 /nfs/dbraw/zinc/98/43/19/520984319.db2.gz TZBHWTZUBRWARR-INIZCTEOSA-N 1 2 372.450 2.961 20 5 FFBDLO CCO[C@@H]1C[C@H](O)C12CCN(c1ccc3c[nH+]ccc3c1[N+](=O)[O-])CC2 ZINC000599049290 520999785 /nfs/dbraw/zinc/99/97/85/520999785.db2.gz WKYNDVKQBJHUBM-DLBZAZTESA-N 1 2 357.410 2.899 20 5 FFBDLO O=[N+]([O-])c1cccc(Cl)c1NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000599183772 521076130 /nfs/dbraw/zinc/07/61/30/521076130.db2.gz UMVWGQZRSSISJY-AWEZNQCLSA-N 1 2 362.817 2.956 20 5 FFBDLO O=[N+]([O-])c1cccc(Cl)c1NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000599183772 521076137 /nfs/dbraw/zinc/07/61/37/521076137.db2.gz UMVWGQZRSSISJY-AWEZNQCLSA-N 1 2 362.817 2.956 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccnc3C(F)(F)F)CC2)cn1 ZINC000599259002 521112214 /nfs/dbraw/zinc/11/22/14/521112214.db2.gz JBGQFFHJLUGASR-UHFFFAOYSA-N 1 2 367.331 2.726 20 5 FFBDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)NCCc2ccccc2[N+](=O)[O-])cc1 ZINC000602110717 521148998 /nfs/dbraw/zinc/14/89/98/521148998.db2.gz PZQCKZBFLCARJL-LJQANCHMSA-N 1 2 369.421 2.537 20 5 FFBDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)NCCc2ccccc2[N+](=O)[O-])cc1 ZINC000602110717 521149001 /nfs/dbraw/zinc/14/90/01/521149001.db2.gz PZQCKZBFLCARJL-LJQANCHMSA-N 1 2 369.421 2.537 20 5 FFBDLO CC1(C)Cc2n[nH]cc2C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000596597684 521157627 /nfs/dbraw/zinc/15/76/27/521157627.db2.gz XELLDQLDPYALCJ-QGZVFWFLSA-N 1 2 369.425 2.508 20 5 FFBDLO CC1(C)Cc2n[nH]cc2C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000596597684 521157633 /nfs/dbraw/zinc/15/76/33/521157633.db2.gz XELLDQLDPYALCJ-QGZVFWFLSA-N 1 2 369.425 2.508 20 5 FFBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](OC(F)F)C2)cccc1[N+](=O)[O-] ZINC000611576449 521230634 /nfs/dbraw/zinc/23/06/34/521230634.db2.gz ALTXZNPUYKOWEN-RYUDHWBXSA-N 1 2 357.357 2.934 20 5 FFBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](OC(F)F)C2)cccc1[N+](=O)[O-] ZINC000611576449 521230638 /nfs/dbraw/zinc/23/06/38/521230638.db2.gz ALTXZNPUYKOWEN-RYUDHWBXSA-N 1 2 357.357 2.934 20 5 FFBDLO COc1ccc(NC(=O)C[NH+]2C[C@@H](C)C(F)(F)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000599512225 521268445 /nfs/dbraw/zinc/26/84/45/521268445.db2.gz GDXHHYDTJCFCRA-GHMZBOCLSA-N 1 2 357.357 2.765 20 5 FFBDLO O=[N+]([O-])c1ccc2ncnc(NCc3cc[nH+]c(N4CCCCC4)c3)c2c1 ZINC000611701059 521286581 /nfs/dbraw/zinc/28/65/81/521286581.db2.gz NVXDNLWDQGXZEQ-UHFFFAOYSA-N 1 2 364.409 2.957 20 5 FFBDLO COc1cccc2c1C[N@@H+]([C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000599645524 521357023 /nfs/dbraw/zinc/35/70/23/521357023.db2.gz PGBDNOUMRSGOQB-KRWDZBQOSA-N 1 2 353.378 2.725 20 5 FFBDLO COc1cccc2c1C[N@H+]([C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000599645524 521357030 /nfs/dbraw/zinc/35/70/30/521357030.db2.gz PGBDNOUMRSGOQB-KRWDZBQOSA-N 1 2 353.378 2.725 20 5 FFBDLO C[C@@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC2(CCCCC2)O1 ZINC000594059274 521379816 /nfs/dbraw/zinc/37/98/16/521379816.db2.gz VRDPQWTZKYMPAZ-OAHLLOKOSA-N 1 2 361.442 2.981 20 5 FFBDLO C[C@@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC2(CCCCC2)O1 ZINC000594059274 521379823 /nfs/dbraw/zinc/37/98/23/521379823.db2.gz VRDPQWTZKYMPAZ-OAHLLOKOSA-N 1 2 361.442 2.981 20 5 FFBDLO O=C(N[C@@H](C1CC1)[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000594071106 521389077 /nfs/dbraw/zinc/38/90/77/521389077.db2.gz XIRAKVNLMJUZMV-ROUUACIJSA-N 1 2 370.409 2.858 20 5 FFBDLO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602610521 521436224 /nfs/dbraw/zinc/43/62/24/521436224.db2.gz ALUPXJHENCKPDD-VIIUKITBSA-N 1 2 355.279 2.618 20 5 FFBDLO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602610521 521436226 /nfs/dbraw/zinc/43/62/26/521436226.db2.gz ALUPXJHENCKPDD-VIIUKITBSA-N 1 2 355.279 2.618 20 5 FFBDLO C[C@H]1OCC[C@]12C[N@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CCO2 ZINC000602653187 521460215 /nfs/dbraw/zinc/46/02/15/521460215.db2.gz ZKBVYQHTGZNEBX-ABAIWWIYSA-N 1 2 360.332 2.993 20 5 FFBDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CCO2 ZINC000602653187 521460222 /nfs/dbraw/zinc/46/02/22/521460222.db2.gz ZKBVYQHTGZNEBX-ABAIWWIYSA-N 1 2 360.332 2.993 20 5 FFBDLO C[C@@H]1C[C@@H](NC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)c2[nH+]ccn21 ZINC000597090589 521496495 /nfs/dbraw/zinc/49/64/95/521496495.db2.gz OHMXJUWBEDCAMW-GMSGAONNSA-N 1 2 350.766 2.854 20 5 FFBDLO CN(C)c1c[nH+]ccc1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000619808156 521881797 /nfs/dbraw/zinc/88/17/97/521881797.db2.gz OXEMGHFRIQNFMH-UHFFFAOYSA-N 1 2 355.398 2.674 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCN(C)C(=O)OC(C)(C)C ZINC000130034719 728714654 /nfs/dbraw/zinc/71/46/54/728714654.db2.gz NYSTUKCBIWYLHZ-UHFFFAOYSA-N 1 2 353.419 2.902 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCN(C)C(=O)OC(C)(C)C ZINC000130034719 728714655 /nfs/dbraw/zinc/71/46/55/728714655.db2.gz NYSTUKCBIWYLHZ-UHFFFAOYSA-N 1 2 353.419 2.902 20 5 FFBDLO Cc1nn(CN2CC[NH+](Cc3ccccc3Cl)CC2)c(C)c1[N+](=O)[O-] ZINC000165849977 728974283 /nfs/dbraw/zinc/97/42/83/728974283.db2.gz UTOCUFNTBPBWBO-UHFFFAOYSA-N 1 2 363.849 2.837 20 5 FFBDLO COC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000247128804 729594501 /nfs/dbraw/zinc/59/45/01/729594501.db2.gz WZUGRXDNAVPMAN-VXGBXAGGSA-N 1 2 355.822 2.934 20 5 FFBDLO COC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000247128804 729594504 /nfs/dbraw/zinc/59/45/04/729594504.db2.gz WZUGRXDNAVPMAN-VXGBXAGGSA-N 1 2 355.822 2.934 20 5 FFBDLO C[NH+]1CCN(CCCCNc2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856723306 730350078 /nfs/dbraw/zinc/35/00/78/730350078.db2.gz LNBRVCITCVYAGT-UHFFFAOYSA-N 1 2 371.279 2.797 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000859922769 730469371 /nfs/dbraw/zinc/46/93/71/730469371.db2.gz OMTGOPFVUHTHKP-BWACUDIHSA-N 1 2 367.833 2.670 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000859922769 730469372 /nfs/dbraw/zinc/46/93/72/730469372.db2.gz OMTGOPFVUHTHKP-BWACUDIHSA-N 1 2 367.833 2.670 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCC[C@H](OC(F)F)C3)n2)cc1 ZINC000781148522 738601637 /nfs/dbraw/zinc/60/16/37/738601637.db2.gz DEWKUINSPDKUQU-ZDUSSCGKSA-N 1 2 353.329 2.514 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CCC[C@H](OC(F)F)C3)n2)cc1 ZINC000781148522 738601640 /nfs/dbraw/zinc/60/16/40/738601640.db2.gz DEWKUINSPDKUQU-ZDUSSCGKSA-N 1 2 353.329 2.514 20 5 FFBDLO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CCCO1 ZINC000878041131 732473080 /nfs/dbraw/zinc/47/30/80/732473080.db2.gz JMHBSEWPSAPIHI-SNVBAGLBSA-N 1 2 352.778 2.909 20 5 FFBDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CCCO1 ZINC000878041131 732473081 /nfs/dbraw/zinc/47/30/81/732473081.db2.gz JMHBSEWPSAPIHI-SNVBAGLBSA-N 1 2 352.778 2.909 20 5 FFBDLO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCCNc1cccc[nH+]1 ZINC000731917330 734705733 /nfs/dbraw/zinc/70/57/33/734705733.db2.gz IZHFOAFCOKEOEK-UHFFFAOYSA-N 1 2 372.353 2.510 20 5 FFBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894187538 734815062 /nfs/dbraw/zinc/81/50/62/734815062.db2.gz LCAKRUZVDYYXGB-UHFFFAOYSA-N 1 2 368.846 2.831 20 5 FFBDLO Cc1cn(C(C)(C)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c[nH+]1 ZINC000897332759 735220686 /nfs/dbraw/zinc/22/06/86/735220686.db2.gz OJAUMHBIMVTSQC-UHFFFAOYSA-N 1 2 350.806 2.847 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@H]2CC2(Cl)Cl)CC1 ZINC000749336389 735714932 /nfs/dbraw/zinc/71/49/32/735714932.db2.gz QDJBPXAHALAVSO-GFCCVEGCSA-N 1 2 358.225 2.546 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@@H](CCO)c3cccs3)n2)c1 ZINC000754382792 736153793 /nfs/dbraw/zinc/15/37/93/736153793.db2.gz IEEIQOSCESIUMB-ZDUSSCGKSA-N 1 2 360.395 2.920 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000756074782 736304540 /nfs/dbraw/zinc/30/45/40/736304540.db2.gz AQDMEIADGIHLRA-LLVKDONJSA-N 1 2 363.805 2.681 20 5 FFBDLO C[N@@H+](CC(=O)Nc1ccccc1Cl)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776578207 738211034 /nfs/dbraw/zinc/21/10/34/738211034.db2.gz CWWGJSDGOXHDMZ-INIZCTEOSA-N 1 2 363.801 2.852 20 5 FFBDLO C[N@H+](CC(=O)Nc1ccccc1Cl)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776578207 738211039 /nfs/dbraw/zinc/21/10/39/738211039.db2.gz CWWGJSDGOXHDMZ-INIZCTEOSA-N 1 2 363.801 2.852 20 5 FFBDLO Cc1ccc(NC[C@H](C)[NH+]2CCN(C)CC2)c([N+](=O)[O-])c1Br ZINC000804421181 740871161 /nfs/dbraw/zinc/87/11/61/740871161.db2.gz JUQLVMWNPFZVFS-LBPRGKRZSA-N 1 2 371.279 2.714 20 5 FFBDLO CC(C)(CNc1cccc(Br)c1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000820604934 742523600 /nfs/dbraw/zinc/52/36/00/742523600.db2.gz NLHTTWFSTWEDMP-UHFFFAOYSA-N 1 2 358.236 2.880 20 5 FFBDLO COC(=O)[C@@H]1CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000827544461 743598208 /nfs/dbraw/zinc/59/82/08/743598208.db2.gz AWOIMJOYUWOGAC-WDEREUQCSA-N 1 2 371.231 2.988 20 5 FFBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000827544461 743598212 /nfs/dbraw/zinc/59/82/12/743598212.db2.gz AWOIMJOYUWOGAC-WDEREUQCSA-N 1 2 371.231 2.988 20 5 FFBDLO C[N@H+](CCc1cccs1)CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840015130 746979652 /nfs/dbraw/zinc/97/96/52/746979652.db2.gz MDONSYCSAFRKSA-KRWDZBQOSA-N 1 2 361.423 2.726 20 5 FFBDLO C[N@@H+](CCc1cccs1)CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840015130 746979658 /nfs/dbraw/zinc/97/96/58/746979658.db2.gz MDONSYCSAFRKSA-KRWDZBQOSA-N 1 2 361.423 2.726 20 5 FFBDLO Cc1cc(Cl)c(C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000841347189 747320902 /nfs/dbraw/zinc/32/09/02/747320902.db2.gz NRBGONUEBGZJSH-UHFFFAOYSA-N 1 2 369.849 2.739 20 5 FFBDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000852041249 749759699 /nfs/dbraw/zinc/75/96/99/749759699.db2.gz NPRZZRLIQXKXNQ-CYBMUJFWSA-N 1 2 350.268 2.661 20 5 FFBDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000852041249 749759701 /nfs/dbraw/zinc/75/97/01/749759701.db2.gz NPRZZRLIQXKXNQ-CYBMUJFWSA-N 1 2 350.268 2.661 20 5 FFBDLO Cc1noc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000852216717 749805781 /nfs/dbraw/zinc/80/57/81/749805781.db2.gz LEYGDWJPGALNBE-CMPLNLGQSA-N 1 2 354.407 2.769 20 5 FFBDLO Cc1noc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000852216717 749805785 /nfs/dbraw/zinc/80/57/85/749805785.db2.gz LEYGDWJPGALNBE-CMPLNLGQSA-N 1 2 354.407 2.769 20 5 FFBDLO COC(=O)[C@@H](CC1CCOCC1)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000895592253 970775013 /nfs/dbraw/zinc/77/50/13/970775013.db2.gz SHIQVSOZDWFLGL-RHSMWYFYSA-N 1 2 364.442 2.864 20 5 FFBDLO C[C@@H]([NH2+][C@H](CO)c1ccc(F)cc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001174799221 1013316510 /nfs/dbraw/zinc/31/65/10/1013316510.db2.gz SWQJSXGWAAGIDG-QLJPJBMISA-N 1 2 365.336 2.523 20 5 FFBDLO COCCOc1ccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)o1 ZINC000891724451 964965890 /nfs/dbraw/zinc/96/58/90/964965890.db2.gz ZQEWWJPWHGVYSG-UHFFFAOYSA-N 1 2 361.398 2.535 20 5 FFBDLO Cc1cccc2c1CC[N@H+](CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)C2 ZINC000729479566 966069973 /nfs/dbraw/zinc/06/99/73/966069973.db2.gz LFNLNIOOWIIQPL-UHFFFAOYSA-N 1 2 351.406 2.851 20 5 FFBDLO Cc1cccc2c1CC[N@@H+](CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)C2 ZINC000729479566 966069984 /nfs/dbraw/zinc/06/99/84/966069984.db2.gz LFNLNIOOWIIQPL-UHFFFAOYSA-N 1 2 351.406 2.851 20 5 FFBDLO CN(CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC000729185091 978197336 /nfs/dbraw/zinc/19/73/36/978197336.db2.gz JICZPCYFDDKGAK-UHFFFAOYSA-N 1 2 364.446 2.584 20 5 FFBDLO C[NH+](C)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1F ZINC001299189385 980783363 /nfs/dbraw/zinc/78/33/63/980783363.db2.gz VREIRVSUUZJTAV-UHFFFAOYSA-N 1 2 363.345 2.632 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@H]1CC[C@@H](C2CC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000897510532 981372226 /nfs/dbraw/zinc/37/22/26/981372226.db2.gz VWZFLHRYAZJBOP-FGTMMUONSA-N 1 2 356.426 2.965 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cn3nccc3-c3cccnc3)CC2)cc1 ZINC000063507159 985897373 /nfs/dbraw/zinc/89/73/73/985897373.db2.gz DERLZTDUXDVDGO-UHFFFAOYSA-N 1 2 364.409 2.633 20 5 FFBDLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000672149118 987204829 /nfs/dbraw/zinc/20/48/29/987204829.db2.gz GLUYYPGEQSNPHO-CQSZACIVSA-N 1 2 358.401 2.623 20 5 FFBDLO COC(=O)c1cc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)oc1C ZINC000126121561 989075219 /nfs/dbraw/zinc/07/52/19/989075219.db2.gz FQTXVDFBMVRUGV-UHFFFAOYSA-N 1 2 359.382 2.605 20 5 FFBDLO COCCc1ccnc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c1 ZINC001128915656 990005843 /nfs/dbraw/zinc/00/58/43/990005843.db2.gz DTPVFNAPMNXWSJ-UHFFFAOYSA-N 1 2 367.365 2.617 20 5 FFBDLO Cn1cc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)CCC2(C)C)c([N+](=O)[O-])n1 ZINC000879505904 1015566891 /nfs/dbraw/zinc/56/68/91/1015566891.db2.gz KUKYDZWTQKWCAI-UHFFFAOYSA-N 1 2 367.450 2.550 20 5 FFBDLO Cn1cc(C[N@H+]2CCN(C(=O)OC(C)(C)C)CCC2(C)C)c([N+](=O)[O-])n1 ZINC000879505904 1015566899 /nfs/dbraw/zinc/56/68/99/1015566899.db2.gz KUKYDZWTQKWCAI-UHFFFAOYSA-N 1 2 367.450 2.550 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)n2)c1 ZINC000811793521 995263865 /nfs/dbraw/zinc/26/38/65/995263865.db2.gz WERYTVPTIARYPI-IRXDYDNUSA-N 1 2 369.425 2.844 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)n2)c1 ZINC000811793521 995263871 /nfs/dbraw/zinc/26/38/71/995263871.db2.gz WERYTVPTIARYPI-IRXDYDNUSA-N 1 2 369.425 2.844 20 5 FFBDLO Cc1nn(C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)c2ncc([N+](=O)[O-])cc12 ZINC000844722358 998096743 /nfs/dbraw/zinc/09/67/43/998096743.db2.gz ZKKCGDOPGUHUGH-UHFFFAOYSA-N 1 2 373.310 2.972 20 5 FFBDLO C[C@@H](CC(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)n1cc[nH+]c1 ZINC000845456508 998543973 /nfs/dbraw/zinc/54/39/73/998543973.db2.gz HYRRMYBPUUZAJE-AWEZNQCLSA-N 1 2 373.413 2.597 20 5 FFBDLO C[N@H+](CCc1ccc(Cl)cc1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000733300130 998950439 /nfs/dbraw/zinc/95/04/39/998950439.db2.gz RNSHSFHLUXEQCJ-UHFFFAOYSA-N 1 2 373.796 2.976 20 5 FFBDLO C[N@@H+](CCc1ccc(Cl)cc1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000733300130 998950441 /nfs/dbraw/zinc/95/04/41/998950441.db2.gz RNSHSFHLUXEQCJ-UHFFFAOYSA-N 1 2 373.796 2.976 20 5 FFBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000733992241 999168415 /nfs/dbraw/zinc/16/84/15/999168415.db2.gz MTURSQJSNAVQLA-IBGZPJMESA-N 1 2 355.394 2.971 20 5 FFBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000733992241 999168416 /nfs/dbraw/zinc/16/84/16/999168416.db2.gz MTURSQJSNAVQLA-IBGZPJMESA-N 1 2 355.394 2.971 20 5 FFBDLO COc1ccc([C@H](C)[NH2+]Cc2cn(C)nc2[N+](=O)[O-])c(Br)c1 ZINC001168793711 999994348 /nfs/dbraw/zinc/99/43/48/999994348.db2.gz VBOFDRWJSIAIOT-VIFPVBQESA-N 1 2 369.219 2.950 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@](O)(c4ccc(F)cc4)C3)nc2c1 ZINC000769788778 1000603722 /nfs/dbraw/zinc/60/37/22/1000603722.db2.gz YKCYAAVDOURHQI-GOSISDBHSA-N 1 2 356.357 2.704 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@](O)(c4ccc(F)cc4)C3)nc2c1 ZINC000769788778 1000603725 /nfs/dbraw/zinc/60/37/25/1000603725.db2.gz YKCYAAVDOURHQI-GOSISDBHSA-N 1 2 356.357 2.704 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC001183455713 1002280089 /nfs/dbraw/zinc/28/00/89/1002280089.db2.gz WOPWOXWRTWUXRN-HNNXBMFYSA-N 1 2 359.348 2.855 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC001183455713 1002280096 /nfs/dbraw/zinc/28/00/96/1002280096.db2.gz WOPWOXWRTWUXRN-HNNXBMFYSA-N 1 2 359.348 2.855 20 5 FFBDLO COCc1cnc2n1CC[N@H+]([C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])[C@H]2C ZINC001170341397 1003129877 /nfs/dbraw/zinc/12/98/77/1003129877.db2.gz QCZHHRXIVVVQCV-KGLIPLIRSA-N 1 2 374.441 2.954 20 5 FFBDLO COCc1cnc2n1CC[N@@H+]([C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])[C@H]2C ZINC001170341397 1003129885 /nfs/dbraw/zinc/12/98/85/1003129885.db2.gz QCZHHRXIVVVQCV-KGLIPLIRSA-N 1 2 374.441 2.954 20 5 FFBDLO C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1cncc(F)c1 ZINC001129580270 1003714328 /nfs/dbraw/zinc/71/43/28/1003714328.db2.gz FTDKTWRIQFAHHS-NSHDSACASA-N 1 2 355.329 2.806 20 5 FFBDLO COCCCOCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Br ZINC001192524477 1004183741 /nfs/dbraw/zinc/18/37/41/1004183741.db2.gz DJRGKPHRQSDYIN-UHFFFAOYSA-N 1 2 361.236 2.842 20 5 FFBDLO COCCCOCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Br ZINC001192524477 1004183743 /nfs/dbraw/zinc/18/37/43/1004183743.db2.gz DJRGKPHRQSDYIN-UHFFFAOYSA-N 1 2 361.236 2.842 20 5 FFBDLO CC(C)OC(=O)C1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC001197911132 1004421617 /nfs/dbraw/zinc/42/16/17/1004421617.db2.gz JURLCWJJAQUFDR-UHFFFAOYSA-N 1 2 374.397 2.808 20 5 FFBDLO O=C(O[C@H]1C[C@@H](OCC(F)F)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000851515212 1005891739 /nfs/dbraw/zinc/89/17/39/1005891739.db2.gz YHIPCLXWCXVILA-TXEJJXNPSA-N 1 2 367.308 2.750 20 5 FFBDLO C[C@@H]1COC2(CCCC2)C[N@@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000853577342 1006454506 /nfs/dbraw/zinc/45/45/06/1006454506.db2.gz IXQGJAQUCWJLOP-CQSZACIVSA-N 1 2 357.414 2.844 20 5 FFBDLO C[C@@H]1COC2(CCCC2)C[N@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000853577342 1006454516 /nfs/dbraw/zinc/45/45/16/1006454516.db2.gz IXQGJAQUCWJLOP-CQSZACIVSA-N 1 2 357.414 2.844 20 5 FFBDLO CN(C[C@]12CCC[C@H]1OCC2)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001135039654 1006634315 /nfs/dbraw/zinc/63/43/15/1006634315.db2.gz SBXMASFKTSOVBL-IEBWSBKVSA-N 1 2 370.409 2.812 20 5 FFBDLO O=C(NCc1cc2cnccc2o1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001152678225 1032213819 /nfs/dbraw/zinc/21/38/19/1032213819.db2.gz MLRYFXYZHIDMSQ-UHFFFAOYSA-N 1 2 363.333 2.852 20 5 FFBDLO O=C(Cc1cccc([N+](=O)[O-])c1)OCc1cccc(C[NH+]2CCOCC2)c1 ZINC000817184180 1007466773 /nfs/dbraw/zinc/46/67/73/1007466773.db2.gz HEGHDTNSMLENMK-UHFFFAOYSA-N 1 2 370.405 2.713 20 5 FFBDLO COCCC1CC[NH+](Cn2cc(C)n(-c3ccccc3[N+](=O)[O-])c2=O)CC1 ZINC000863271021 1010153554 /nfs/dbraw/zinc/15/35/54/1010153554.db2.gz UEMKTZLOGHGTPY-UHFFFAOYSA-N 1 2 374.441 2.562 20 5 FFBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[NH+]1CCC(c2ccncc2)CC1 ZINC000794646448 1010437046 /nfs/dbraw/zinc/43/70/46/1010437046.db2.gz UPIMJLRHUDJEJP-UHFFFAOYSA-N 1 2 354.366 2.735 20 5 FFBDLO C[C@H]1C[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C[C@@]2(CCCOC2)O1 ZINC000794901683 1010937778 /nfs/dbraw/zinc/93/77/78/1010937778.db2.gz PAIKBDPCBSJIKR-HNAYVOBHSA-N 1 2 372.425 2.686 20 5 FFBDLO C[C@H]1C[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C[C@@]2(CCCOC2)O1 ZINC000794901683 1010937780 /nfs/dbraw/zinc/93/77/80/1010937780.db2.gz PAIKBDPCBSJIKR-HNAYVOBHSA-N 1 2 372.425 2.686 20 5 FFBDLO COc1cccc([C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3F)CC[NH2+]2)c1 ZINC000870151776 1012208734 /nfs/dbraw/zinc/20/87/34/1012208734.db2.gz CCSHLORVYSMNFR-QGZVFWFLSA-N 1 2 359.357 2.529 20 5 FFBDLO CCOC(=O)c1cnc2n1CC[N@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@@H]2C ZINC001173233404 1012368005 /nfs/dbraw/zinc/36/80/05/1012368005.db2.gz WGPOUDXQWAARRW-UONOGXRCSA-N 1 2 372.425 2.976 20 5 FFBDLO CCOC(=O)c1cnc2n1CC[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@@H]2C ZINC001173233404 1012368014 /nfs/dbraw/zinc/36/80/14/1012368014.db2.gz WGPOUDXQWAARRW-UONOGXRCSA-N 1 2 372.425 2.976 20 5 FFBDLO O=C(N[C@@H](C1CCC1)[C@H]1CCOC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000871290150 1012829087 /nfs/dbraw/zinc/82/90/87/1012829087.db2.gz MFGPLSBMSIUHGV-YJBOKZPZSA-N 1 2 370.409 2.716 20 5 FFBDLO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@H](OCC3CC3)C2)nc1-c1ccncc1 ZINC000777548576 1017667544 /nfs/dbraw/zinc/66/75/44/1017667544.db2.gz UBPGKKPESBNYCU-INIZCTEOSA-N 1 2 357.414 2.702 20 5 FFBDLO O=[N+]([O-])c1cn(C[N@H+]2CCC[C@H](OCC3CC3)C2)nc1-c1ccncc1 ZINC000777548576 1017667548 /nfs/dbraw/zinc/66/75/48/1017667548.db2.gz UBPGKKPESBNYCU-INIZCTEOSA-N 1 2 357.414 2.702 20 5 FFBDLO O=C(NCC[NH+]1Cc2ccccc2C1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000930651796 1020120849 /nfs/dbraw/zinc/12/08/49/1020120849.db2.gz BOKBJYXZFLWVLA-RBUKOAKNSA-N 1 2 351.406 2.830 20 5 FFBDLO Cc1cccn2cc(CCNC(=O)CCc3cc(F)ccc3[N+](=O)[O-])[nH+]c12 ZINC000933994721 1021126354 /nfs/dbraw/zinc/12/63/54/1021126354.db2.gz VIIOMZGMAWJABX-UHFFFAOYSA-N 1 2 370.384 2.982 20 5 FFBDLO Cc1cc(F)cc(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)c1[N+](=O)[O-] ZINC000155269884 1022233015 /nfs/dbraw/zinc/23/30/15/1022233015.db2.gz DHISZLBQVOWXDS-UHFFFAOYSA-N 1 2 374.372 2.835 20 5 FFBDLO O=C(C[N@H+]1CCC[C@](O)(c2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC001118844283 1022434002 /nfs/dbraw/zinc/43/40/02/1022434002.db2.gz GYHLYVIKTMVQEX-LJQANCHMSA-N 1 2 355.394 2.517 20 5 FFBDLO O=C(C[N@@H+]1CCC[C@](O)(c2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC001118844283 1022434008 /nfs/dbraw/zinc/43/40/08/1022434008.db2.gz GYHLYVIKTMVQEX-LJQANCHMSA-N 1 2 355.394 2.517 20 5 FFBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000751219469 1022772185 /nfs/dbraw/zinc/77/21/85/1022772185.db2.gz QBMMCFCOFMRKDC-UHFFFAOYSA-N 1 2 358.398 2.611 20 5 FFBDLO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](Cc2ccc3ccccc3c2)C1 ZINC000950055650 1023694606 /nfs/dbraw/zinc/69/46/06/1023694606.db2.gz JCTGKLKOBPRUNV-RTBURBONSA-N 1 2 353.422 2.538 20 5 FFBDLO O=[N+]([O-])c1c(O)cc(C(F)(F)F)nc1O[C@H]1C[NH2+]Cc2ccccc21 ZINC001218491151 1033178990 /nfs/dbraw/zinc/17/89/90/1033178990.db2.gz VZUHGGJSKQRCQA-NSHDSACASA-N 1 2 355.272 2.938 20 5 FFBDLO CCOc1ccc(C(=O)N2CCC(c3c[nH+]cn3C)CC2)cc1[N+](=O)[O-] ZINC001124091999 1024278408 /nfs/dbraw/zinc/27/84/08/1024278408.db2.gz HQYADORCBVYWGM-UHFFFAOYSA-N 1 2 358.398 2.747 20 5 FFBDLO CC(C)(C)c1nnc(COC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)o1 ZINC000838102650 1026210016 /nfs/dbraw/zinc/21/00/16/1026210016.db2.gz VZGUFYSIZWPJLA-UHFFFAOYSA-N 1 2 371.353 2.818 20 5 FFBDLO C[C@@]12C[N@H+](Cn3nc(-c4ccc([N+](=O)[O-])cc4)oc3=O)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000840117867 1026964883 /nfs/dbraw/zinc/96/48/83/1026964883.db2.gz WMQLHBLTOMZROW-DFHZNHDVSA-N 1 2 368.393 2.513 20 5 FFBDLO C[C@@]12C[N@@H+](Cn3nc(-c4ccc([N+](=O)[O-])cc4)oc3=O)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000840117867 1026964888 /nfs/dbraw/zinc/96/48/88/1026964888.db2.gz WMQLHBLTOMZROW-DFHZNHDVSA-N 1 2 368.393 2.513 20 5 FFBDLO CC[C@@]1(C)CC(=O)N(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000840127008 1026969916 /nfs/dbraw/zinc/96/99/16/1026969916.db2.gz QOLLPIUJMDGNCT-BEFAXECRSA-N 1 2 359.426 2.907 20 5 FFBDLO CC[C@@]1(C)CC(=O)N(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000840127008 1026969923 /nfs/dbraw/zinc/96/99/23/1026969923.db2.gz QOLLPIUJMDGNCT-BEFAXECRSA-N 1 2 359.426 2.907 20 5 FFBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001141957322 1027220194 /nfs/dbraw/zinc/22/01/94/1027220194.db2.gz ZRUUHYXTYGEEGQ-MRXNPFEDSA-N 1 2 356.313 2.592 20 5 FFBDLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)c1c2ccccc2cc2ccccc21 ZINC001153490731 1027905649 /nfs/dbraw/zinc/90/56/49/1027905649.db2.gz LBMRDSNSVHJRMQ-LJQANCHMSA-N 1 2 362.429 2.922 20 5 FFBDLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)c1c2ccccc2cc2ccccc21 ZINC001153490731 1027905669 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ZXYXDNMXMCZAFV-NSHDSACASA-N 1 2 372.410 2.806 20 5 FFBDLO O=[N+]([O-])c1ccc2oc(=S)n(C[N@H+]3CC[C@H](Nc4ncccn4)C3)c2c1 ZINC000842618624 1030834109 /nfs/dbraw/zinc/83/41/09/1030834109.db2.gz ZXYXDNMXMCZAFV-NSHDSACASA-N 1 2 372.410 2.806 20 5 FFBDLO C[C@H]1C[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC2(CCCC2)O1 ZINC000842646031 1030873225 /nfs/dbraw/zinc/87/32/25/1030873225.db2.gz ODYWSWMEDBANAR-AWEZNQCLSA-N 1 2 357.414 2.844 20 5 FFBDLO C[C@H]1C[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC2(CCCC2)O1 ZINC000842646031 1030873246 /nfs/dbraw/zinc/87/32/46/1030873246.db2.gz ODYWSWMEDBANAR-AWEZNQCLSA-N 1 2 357.414 2.844 20 5 FFBDLO O=C(COC1C[NH+](Cc2ccccc2)C1)OCc1ccc([N+](=O)[O-])cc1 ZINC001224987743 1034082397 /nfs/dbraw/zinc/08/23/97/1034082397.db2.gz URJYLRCGEBUJIF-UHFFFAOYSA-N 1 2 356.378 2.539 20 5 FFBDLO COC(=O)C1CCC(OC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000835328584 1035693562 /nfs/dbraw/zinc/69/35/62/1035693562.db2.gz VQZXUMSKYOOMAD-UHFFFAOYSA-N 1 2 373.365 2.669 20 5 FFBDLO CC[NH+]1CCC(Oc2[nH]c(=O)nc3nc4cc(C)c(C)cc4nc32)CC1 ZINC001228687078 1036257559 /nfs/dbraw/zinc/25/75/59/1036257559.db2.gz RHAPYTANTFVAQQ-UHFFFAOYSA-N 1 2 353.426 2.759 20 5 FFBDLO C[N@@H+]1CCC[C@@H](Oc2c(I)cccc2[N+](=O)[O-])C1 ZINC001229881137 1036957989 /nfs/dbraw/zinc/95/79/89/1036957989.db2.gz ZMHFNOMFUDOZOJ-SECBINFHSA-N 1 2 362.167 2.672 20 5 FFBDLO C[N@H+]1CCC[C@@H](Oc2c(I)cccc2[N+](=O)[O-])C1 ZINC001229881137 1036958000 /nfs/dbraw/zinc/95/80/00/1036958000.db2.gz ZMHFNOMFUDOZOJ-SECBINFHSA-N 1 2 362.167 2.672 20 5 FFBDLO O=[N+]([O-])c1cc(Br)cc(O)c1OC1CC[NH+](CCF)CC1 ZINC001234877751 1037218205 /nfs/dbraw/zinc/21/82/05/1037218205.db2.gz QSFZYOKINSPVRM-UHFFFAOYSA-N 1 2 363.183 2.876 20 5 FFBDLO O=[N+]([O-])c1cc2c[nH]nc2cc1OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001230595962 1037314687 /nfs/dbraw/zinc/31/46/87/1037314687.db2.gz ODXAMVWFZAGTJO-INIZCTEOSA-N 1 2 368.393 2.751 20 5 FFBDLO O=[N+]([O-])c1cc2c[nH]nc2cc1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001230595962 1037314698 /nfs/dbraw/zinc/31/46/98/1037314698.db2.gz ODXAMVWFZAGTJO-INIZCTEOSA-N 1 2 368.393 2.751 20 5 FFBDLO COc1ccccc1C[NH+]1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254598582 1040829551 /nfs/dbraw/zinc/82/95/51/1040829551.db2.gz IANDOLOZODDKKH-FQEVSTJZSA-N 1 2 367.449 2.888 20 5 FFBDLO O=C(c1cccc(F)c1)N1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254601023 1040832543 /nfs/dbraw/zinc/83/25/43/1040832543.db2.gz VFGRYHGLEGGZJO-IBGZPJMESA-N 1 2 369.396 2.659 20 5 FFBDLO Cc1ncc([N+](=O)[O-])cc1Nc1ccc(N2CC[NH+](C3COC3)CC2)cc1 ZINC001249547849 1040859719 /nfs/dbraw/zinc/85/97/19/1040859719.db2.gz YSRRPNJJLAMYSI-UHFFFAOYSA-N 1 2 369.425 2.563 20 5 FFBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)n1 ZINC001538007760 1070315226 /nfs/dbraw/zinc/31/52/26/1070315226.db2.gz VRUARPGCZBKYAF-ZDUSSCGKSA-N 1 2 374.445 2.783 20 5 FFBDLO C[C@H](C(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)n1cc[nH+]c1 ZINC001261364728 1041186111 /nfs/dbraw/zinc/18/61/11/1041186111.db2.gz TUGSMHISHZCHRE-PELKAZGASA-N 1 2 360.267 2.911 20 5 FFBDLO C[C@H](NC(=O)NCc1nc(C[NH+](C)C)cs1)c1ccc([N+](=O)[O-])cc1 ZINC001255331926 1041271605 /nfs/dbraw/zinc/27/16/05/1041271605.db2.gz YREMDWOFZIVRCH-NSHDSACASA-N 1 2 363.443 2.673 20 5 FFBDLO COc1cccc(CCNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c1 ZINC001264568525 1042720541 /nfs/dbraw/zinc/72/05/41/1042720541.db2.gz ADEVNESFFMOGFY-UHFFFAOYSA-N 1 2 366.377 2.762 20 5 FFBDLO Cc1cc2ncn(C[C@H](O)C[N@@H+]3Cc4ccc([N+](=O)[O-])cc4C3)c2cc1C ZINC001318854964 1044910368 /nfs/dbraw/zinc/91/03/68/1044910368.db2.gz QXTUCYGURREBKN-GOSISDBHSA-N 1 2 366.421 2.938 20 5 FFBDLO Cc1cc2ncn(C[C@H](O)C[N@H+]3Cc4ccc([N+](=O)[O-])cc4C3)c2cc1C ZINC001318854964 1044910376 /nfs/dbraw/zinc/91/03/76/1044910376.db2.gz QXTUCYGURREBKN-GOSISDBHSA-N 1 2 366.421 2.938 20 5 FFBDLO O=C(Cc1ccc(-n2cc[nH+]c2)cc1)NCCNc1ccccc1[N+](=O)[O-] ZINC001540431745 1070888039 /nfs/dbraw/zinc/88/80/39/1070888039.db2.gz RXNXESAJKJTCOZ-UHFFFAOYSA-N 1 2 365.393 2.551 20 5 FFBDLO CC1(C)CC(=O)NCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001331579865 1048018716 /nfs/dbraw/zinc/01/87/16/1048018716.db2.gz ARCCUMARXPROAD-UHFFFAOYSA-N 1 2 360.439 2.819 20 5 FFBDLO CC1(C)CC(=O)NCC[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001331579865 1048018727 /nfs/dbraw/zinc/01/87/27/1048018727.db2.gz ARCCUMARXPROAD-UHFFFAOYSA-N 1 2 360.439 2.819 20 5 FFBDLO O=[N+]([O-])c1c(N2CCC[C@H]([NH+]3CCOCC3)C2)cccc1C(F)(F)F ZINC001307122156 1052254609 /nfs/dbraw/zinc/25/46/09/1052254609.db2.gz GJMNIARYFJJZKZ-LBPRGKRZSA-N 1 2 359.348 2.915 20 5 FFBDLO O=[N+]([O-])c1c(N2CCC[C@@H]([NH+]3CCOCC3)C2)cccc1C(F)(F)F ZINC001307122155 1052254787 /nfs/dbraw/zinc/25/47/87/1052254787.db2.gz GJMNIARYFJJZKZ-GFCCVEGCSA-N 1 2 359.348 2.915 20 5 FFBDLO Cc1noc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1[N+](=O)[O-] ZINC001308034837 1052388902 /nfs/dbraw/zinc/38/89/02/1052388902.db2.gz MWWNEGDBYMRHRF-SMDDNHRTSA-N 1 2 359.304 2.515 20 5 FFBDLO CC(C)c1ccc(CNc2cnn(CC[NH+]3CCOCC3)c2)cc1[N+](=O)[O-] ZINC001308332497 1052447315 /nfs/dbraw/zinc/44/73/15/1052447315.db2.gz UAVQZDKBTJGKRF-UHFFFAOYSA-N 1 2 373.457 2.859 20 5 FFBDLO COc1cccc([C@H]2CN(C(=O)c3c(C)cccc3[N+](=O)[O-])CC[NH2+]2)c1 ZINC001337374476 1054700350 /nfs/dbraw/zinc/70/03/50/1054700350.db2.gz ALKFLEWWKAVKCH-MRXNPFEDSA-N 1 2 355.394 2.699 20 5 FFBDLO CC[C@H](O)[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001300092457 1055735764 /nfs/dbraw/zinc/73/57/64/1055735764.db2.gz NTFUPSKYRPQBKU-RDJZCZTQSA-N 1 2 358.398 2.546 20 5 FFBDLO Cn1nc(C2CC2)cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001543982704 1071577185 /nfs/dbraw/zinc/57/71/85/1071577185.db2.gz OJFUGDRIVCZPOW-UHFFFAOYSA-N 1 2 352.354 2.644 20 5 FFBDLO Cn1c[nH+]cc1C1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001519059923 1058610441 /nfs/dbraw/zinc/61/04/41/1058610441.db2.gz OLNMQPVROMBRNA-DLBZAZTESA-N 1 2 354.410 2.838 20 5 FFBDLO CCOC(=O)c1cc(C(=O)NCc2c[nH]c(C(C)C)[nH+]2)cc([N+](=O)[O-])c1 ZINC001456347890 1060099037 /nfs/dbraw/zinc/09/90/37/1060099037.db2.gz STNQPSIIYAMFJC-UHFFFAOYSA-N 1 2 360.370 2.548 20 5 FFBDLO CCOC(=O)c1cc(C(=O)NCc2c[nH+]c(C(C)C)[nH]2)cc([N+](=O)[O-])c1 ZINC001456347890 1060099059 /nfs/dbraw/zinc/09/90/59/1060099059.db2.gz STNQPSIIYAMFJC-UHFFFAOYSA-N 1 2 360.370 2.548 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001516767658 1060228949 /nfs/dbraw/zinc/22/89/49/1060228949.db2.gz OTKSWMYOWODUCV-UHFFFAOYSA-N 1 2 358.394 2.957 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)C[N@H+](C)Cc1ccccc1 ZINC001516767658 1060228970 /nfs/dbraw/zinc/22/89/70/1060228970.db2.gz OTKSWMYOWODUCV-UHFFFAOYSA-N 1 2 358.394 2.957 20 5 FFBDLO O=C1CCCC12CC[NH+](Cc1nnc(-c3ccccc3[N+](=O)[O-])o1)CC2 ZINC001460430973 1060992379 /nfs/dbraw/zinc/99/23/79/1060992379.db2.gz ISRRBCDSLUPGLU-UHFFFAOYSA-N 1 2 356.382 2.980 20 5 FFBDLO CCN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC001460987281 1061179048 /nfs/dbraw/zinc/17/90/48/1061179048.db2.gz SXOBNJNMOONXHH-UHFFFAOYSA-N 1 2 367.450 2.550 20 5 FFBDLO COC(=O)c1ccc(C[N@H+](C)Cc2ccc(O)c(OC)c2[N+](=O)[O-])cc1 ZINC001461894962 1061439996 /nfs/dbraw/zinc/43/99/96/1061439996.db2.gz GSKZZBCPMWUSOQ-UHFFFAOYSA-N 1 2 360.366 2.728 20 5 FFBDLO COC(=O)c1ccc(C[N@@H+](C)Cc2ccc(O)c(OC)c2[N+](=O)[O-])cc1 ZINC001461894962 1061440008 /nfs/dbraw/zinc/44/00/08/1061440008.db2.gz GSKZZBCPMWUSOQ-UHFFFAOYSA-N 1 2 360.366 2.728 20 5 FFBDLO O=C(Nc1ccnn1CC1CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001533075998 1063240097 /nfs/dbraw/zinc/24/00/97/1063240097.db2.gz XXVALUBCZUICNI-UHFFFAOYSA-N 1 2 352.354 2.639 20 5 FFBDLO COCc1cnc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)s1 ZINC001525534693 1063334535 /nfs/dbraw/zinc/33/45/35/1063334535.db2.gz OVZJPBKQUCUUJM-UHFFFAOYSA-N 1 2 359.367 2.636 20 5 FFBDLO Nc1[nH+]ccc2c1CN(C(=O)CCc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC001470911939 1064488384 /nfs/dbraw/zinc/48/83/84/1064488384.db2.gz LNGHJMAUZSUHJG-UHFFFAOYSA-N 1 2 360.801 2.743 20 5 FFBDLO COc1cc(C(=O)N2CCC(Cc3c[nH]c[nH+]3)CC2)cc([N+](=O)[O-])c1C ZINC001472422441 1065054600 /nfs/dbraw/zinc/05/46/00/1065054600.db2.gz ANAAKJDMYSASAK-UHFFFAOYSA-N 1 2 358.398 2.730 20 5 FFBDLO COc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC001473184010 1065214249 /nfs/dbraw/zinc/21/42/49/1065214249.db2.gz GPRLNHHKMUSBRO-QGZVFWFLSA-N 1 2 369.421 2.998 20 5 FFBDLO COc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC001473184010 1065214263 /nfs/dbraw/zinc/21/42/63/1065214263.db2.gz GPRLNHHKMUSBRO-QGZVFWFLSA-N 1 2 369.421 2.998 20 5 FFBDLO C[C@](CO)([NH2+]Cc1nccn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001473714373 1065330873 /nfs/dbraw/zinc/33/08/73/1065330873.db2.gz QLDMRGPLXHHXPK-LJQANCHMSA-N 1 2 352.394 2.778 20 5 FFBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](c3ncccn3)C2)cccc1[N+](=O)[O-] ZINC001473831866 1065381247 /nfs/dbraw/zinc/38/12/47/1065381247.db2.gz DUCCRUZNRZBDSO-UONOGXRCSA-N 1 2 355.398 2.510 20 5 FFBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](c3ncccn3)C2)cccc1[N+](=O)[O-] ZINC001473831866 1065381262 /nfs/dbraw/zinc/38/12/62/1065381262.db2.gz DUCCRUZNRZBDSO-UONOGXRCSA-N 1 2 355.398 2.510 20 5 FFBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC=C[C@@H]2CO)cc1OC ZINC001560098925 1076226254 /nfs/dbraw/zinc/22/62/54/1076226254.db2.gz WNNGWEAWYFSVLU-UKRRQHHQSA-N 1 2 350.415 2.761 20 5 FFBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC=C[C@@H]2CO)cc1OC ZINC001560098925 1076226255 /nfs/dbraw/zinc/22/62/55/1076226255.db2.gz WNNGWEAWYFSVLU-UKRRQHHQSA-N 1 2 350.415 2.761 20 5 FFBDLO CC1(C)C[C@H]([NH2+]Cc2nc(-c3nn[nH]n3)cs2)c2cc([N+](=O)[O-])ccc21 ZINC001590083833 1080997775 /nfs/dbraw/zinc/99/77/75/1080997775.db2.gz KVYJSGRNKYKMLO-LBPRGKRZSA-N 1 2 371.426 2.744 20 5 FFBDLO O=C(C[N@@H+]1CCC[C@@H](C(F)(F)F)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000026325179 249341015 /nfs/dbraw/zinc/34/10/15/249341015.db2.gz NDCWJBBJXAZZND-GFCCVEGCSA-N 1 2 357.332 2.758 20 5 FFBDLO O=C(C[N@H+]1CCC[C@@H](C(F)(F)F)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000026325179 249341018 /nfs/dbraw/zinc/34/10/18/249341018.db2.gz NDCWJBBJXAZZND-GFCCVEGCSA-N 1 2 357.332 2.758 20 5 FFBDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000065669241 249634046 /nfs/dbraw/zinc/63/40/46/249634046.db2.gz JGZQDKVTIQLLCX-UHFFFAOYSA-N 1 2 362.336 2.667 20 5 FFBDLO COCc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000093608075 250040062 /nfs/dbraw/zinc/04/00/62/250040062.db2.gz GGWFJTUXHYREKI-UHFFFAOYSA-N 1 2 369.421 2.699 20 5 FFBDLO Cc1c([N+](=O)[O-])cc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000101950439 250094359 /nfs/dbraw/zinc/09/43/59/250094359.db2.gz NNZRJJVWINAYIE-GFCCVEGCSA-N 1 2 359.342 2.902 20 5 FFBDLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000103474571 250153342 /nfs/dbraw/zinc/15/33/42/250153342.db2.gz ZFGLBXSYQMUYQM-LBPRGKRZSA-N 1 2 356.386 2.961 20 5 FFBDLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000103474571 250153346 /nfs/dbraw/zinc/15/33/46/250153346.db2.gz ZFGLBXSYQMUYQM-LBPRGKRZSA-N 1 2 356.386 2.961 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)cnc1NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000153516593 251146531 /nfs/dbraw/zinc/14/65/31/251146531.db2.gz CUALQCHDLLVHDT-HNNXBMFYSA-N 1 2 362.817 2.956 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)cnc1NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000153516593 251146535 /nfs/dbraw/zinc/14/65/35/251146535.db2.gz CUALQCHDLLVHDT-HNNXBMFYSA-N 1 2 362.817 2.956 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1C ZINC000268781963 251381451 /nfs/dbraw/zinc/38/14/51/251381451.db2.gz IVFCBMYKDFLJRQ-ZDUSSCGKSA-N 1 2 364.427 2.503 20 5 FFBDLO Cc1cc(NC[C@@H]2CC(=O)N(C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000272566413 252068999 /nfs/dbraw/zinc/06/89/99/252068999.db2.gz VZXOTEFZTBYFEY-ZDUSSCGKSA-N 1 2 367.409 2.783 20 5 FFBDLO CC(C)[N@@H+]1CCO[C@H](c2noc(Cn3ccc4cc([N+](=O)[O-])ccc43)n2)C1 ZINC000272694511 252104926 /nfs/dbraw/zinc/10/49/26/252104926.db2.gz UZFCTIWPZPVEBT-INIZCTEOSA-N 1 2 371.397 2.763 20 5 FFBDLO CC(C)[N@H+]1CCO[C@H](c2noc(Cn3ccc4cc([N+](=O)[O-])ccc43)n2)C1 ZINC000272694511 252104930 /nfs/dbraw/zinc/10/49/30/252104930.db2.gz UZFCTIWPZPVEBT-INIZCTEOSA-N 1 2 371.397 2.763 20 5 FFBDLO Cn1nccc1C1=CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000285716495 257001106 /nfs/dbraw/zinc/00/11/06/257001106.db2.gz UDFNXANDOXQFOT-UHFFFAOYSA-N 1 2 366.381 2.668 20 5 FFBDLO Cn1nccc1C1=CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000285716495 257001107 /nfs/dbraw/zinc/00/11/07/257001107.db2.gz UDFNXANDOXQFOT-UHFFFAOYSA-N 1 2 366.381 2.668 20 5 FFBDLO COc1ccc([C@H](CNc2ccc(N)cc2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000285749698 257002691 /nfs/dbraw/zinc/00/26/91/257002691.db2.gz URKQTEWQZSXPMA-IBGZPJMESA-N 1 2 372.425 2.671 20 5 FFBDLO CCc1cc(N2CC[S@@](=O)C[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000277564771 256211926 /nfs/dbraw/zinc/21/19/26/256211926.db2.gz ARUZJMCWZJOGRS-ZBSNKRKSSA-N 1 2 374.466 2.819 20 5 FFBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000281020228 256595447 /nfs/dbraw/zinc/59/54/47/256595447.db2.gz OIDRLJZGBIOGJI-INIZCTEOSA-N 1 2 357.414 2.977 20 5 FFBDLO Cn1cc[nH+]c1[C@H](N[C@@H](CCO)c1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000286218462 257026231 /nfs/dbraw/zinc/02/62/31/257026231.db2.gz SGHBKCLJBLJOFV-DOTOQJQBSA-N 1 2 356.382 2.724 20 5 FFBDLO CCn1c(CCNc2nc(C(=O)OC)ccc2[N+](=O)[O-])[nH+]c2ccccc21 ZINC000286435985 257037118 /nfs/dbraw/zinc/03/71/18/257037118.db2.gz WHHQNLRJOHWYHU-UHFFFAOYSA-N 1 2 369.381 2.801 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000287413726 257087905 /nfs/dbraw/zinc/08/79/05/257087905.db2.gz DGUNVVKKWOXVAP-HUUCEWRRSA-N 1 2 362.430 2.539 20 5 FFBDLO CN(C)c1cccnc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000289684576 257293809 /nfs/dbraw/zinc/29/38/09/257293809.db2.gz CTSIWLMWQDIBGP-UHFFFAOYSA-N 1 2 352.341 2.947 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000289943589 257307837 /nfs/dbraw/zinc/30/78/37/257307837.db2.gz PSNLKGRIIAETDU-ABAIWWIYSA-N 1 2 363.805 2.719 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000289943589 257307838 /nfs/dbraw/zinc/30/78/38/257307838.db2.gz PSNLKGRIIAETDU-ABAIWWIYSA-N 1 2 363.805 2.719 20 5 FFBDLO Cc1cnn([C@H]2CC[N@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)c1 ZINC000289988879 257310015 /nfs/dbraw/zinc/31/00/15/257310015.db2.gz SFVRAUSRVLCRRA-ZDUSSCGKSA-N 1 2 363.805 2.639 20 5 FFBDLO Cc1cnn([C@H]2CC[N@@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)c1 ZINC000289988879 257310016 /nfs/dbraw/zinc/31/00/16/257310016.db2.gz SFVRAUSRVLCRRA-ZDUSSCGKSA-N 1 2 363.805 2.639 20 5 FFBDLO Cc1c(C(=O)NCc2ccc(N(C)C)[nH+]c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000299541816 258003626 /nfs/dbraw/zinc/00/36/26/258003626.db2.gz UNXIQIGYPWXYSO-UHFFFAOYSA-N 1 2 373.369 2.511 20 5 FFBDLO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000311306448 258115299 /nfs/dbraw/zinc/11/52/99/258115299.db2.gz KKWXWMOEFKUVKS-UHFFFAOYSA-N 1 2 355.394 2.695 20 5 FFBDLO Cc1ccc(N2CC[NH+](CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)c([N+](=O)[O-])c1 ZINC000301457445 258050815 /nfs/dbraw/zinc/05/08/15/258050815.db2.gz XLKHBLPRXACCCO-IRXDYDNUSA-N 1 2 374.485 2.530 20 5 FFBDLO COc1cc(C[NH+]2CCN(c3ncc(C)cc3[N+](=O)[O-])CC2)cc(OC)c1 ZINC000301486589 258052152 /nfs/dbraw/zinc/05/21/52/258052152.db2.gz XSYJPWXKHGALEZ-UHFFFAOYSA-N 1 2 372.425 2.638 20 5 FFBDLO COC(=O)c1cc([N+](=O)[O-])c(N[C@H](C)[C@@H](C)[NH+]2CCOCC2)cc1Cl ZINC000301679048 258062838 /nfs/dbraw/zinc/06/28/38/258062838.db2.gz RGMBEPIJBQBDDE-GHMZBOCLSA-N 1 2 371.821 2.556 20 5 FFBDLO COc1cc(N2CCN(C3=[NH+]CC(C)(C)S3)CC2)c([N+](=O)[O-])cc1F ZINC000301748643 258066257 /nfs/dbraw/zinc/06/62/57/258066257.db2.gz SIVUTJKUJCDBCP-UHFFFAOYSA-N 1 2 368.434 2.746 20 5 FFBDLO CS(=O)(=O)c1cccc(Oc2cccc(-n3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC000301886799 258072924 /nfs/dbraw/zinc/07/29/24/258072924.db2.gz MMMYUWHHBLCBGM-UHFFFAOYSA-N 1 2 359.363 2.976 20 5 FFBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(Sc2[nH+]cc3ccccn32)s1 ZINC000302001834 258081778 /nfs/dbraw/zinc/08/17/78/258081778.db2.gz SFHWFLNOMSMGHS-UHFFFAOYSA-N 1 2 355.422 2.859 20 5 FFBDLO O=C(NC1CCCCC1)C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000332516662 258232942 /nfs/dbraw/zinc/23/29/42/258232942.db2.gz HOHJZQXZFUMPSM-UHFFFAOYSA-N 1 2 361.442 2.961 20 5 FFBDLO O=[N+]([O-])c1cc(Br)cnc1N1CCC(n2cc[nH+]c2)CC1 ZINC000268480767 509959063 /nfs/dbraw/zinc/95/90/63/509959063.db2.gz KWURFMTXPXJBLB-UHFFFAOYSA-N 1 2 352.192 2.790 20 5 FFBDLO O=C(Nc1ccc2c(c1)CCO2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032161847 506234139 /nfs/dbraw/zinc/23/41/39/506234139.db2.gz JCLPJNJFBCPHPX-UHFFFAOYSA-N 1 2 350.334 2.968 20 5 FFBDLO Cc1c(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cccc1[N+](=O)[O-] ZINC000032248045 506235872 /nfs/dbraw/zinc/23/58/72/506235872.db2.gz WSCIDTORCSLDJG-KRWDZBQOSA-N 1 2 369.421 2.534 20 5 FFBDLO Cc1c(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cccc1[N+](=O)[O-] ZINC000032248045 506235880 /nfs/dbraw/zinc/23/58/80/506235880.db2.gz WSCIDTORCSLDJG-KRWDZBQOSA-N 1 2 369.421 2.534 20 5 FFBDLO C[C@H](C(=O)NC1CCCCC1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000052844516 506263085 /nfs/dbraw/zinc/26/30/85/506263085.db2.gz QFUJTXXAQOFSFL-OAHLLOKOSA-N 1 2 360.458 2.554 20 5 FFBDLO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)[NH+]1CCN(c2ccccc2)CC1 ZINC000032723752 506283789 /nfs/dbraw/zinc/28/37/89/506283789.db2.gz XYPWMSLZYWCGTA-CQSZACIVSA-N 1 2 374.466 2.597 20 5 FFBDLO COc1cccc([C@H](NC(=O)c2csc([N+](=O)[O-])c2)c2[nH+]ccn2C)c1 ZINC000044380741 506841145 /nfs/dbraw/zinc/84/11/45/506841145.db2.gz CAHHYCOLHZEUPQ-HNNXBMFYSA-N 1 2 372.406 2.918 20 5 FFBDLO C[C@H](C(=O)N(C)c1ccccc1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000016564657 507095702 /nfs/dbraw/zinc/09/57/02/507095702.db2.gz DNDYQRORYDKFDP-MRXNPFEDSA-N 1 2 368.437 2.768 20 5 FFBDLO O=C(NCc1ccccc1[N+](=O)[O-])NCc1ccccc1-n1cc[nH+]c1 ZINC000056895150 507120565 /nfs/dbraw/zinc/12/05/65/507120565.db2.gz WWZBACGLFSZPRZ-UHFFFAOYSA-N 1 2 351.366 2.780 20 5 FFBDLO COc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000020543250 507225395 /nfs/dbraw/zinc/22/53/95/507225395.db2.gz IPKUFFZXYRRYOX-UHFFFAOYSA-N 1 2 370.409 2.953 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000023736681 507369732 /nfs/dbraw/zinc/36/97/32/507369732.db2.gz CALNJRIZRNKEQT-UHFFFAOYSA-N 1 2 361.423 2.623 20 5 FFBDLO Cc1cccc2nc(C[NH+]3CCN(c4ccccc4[N+](=O)[O-])CC3)cn21 ZINC000060843459 507580869 /nfs/dbraw/zinc/58/08/69/507580869.db2.gz BQMLROBXEOKDBB-UHFFFAOYSA-N 1 2 351.410 2.873 20 5 FFBDLO Cc1cccc2[nH+]c(CN3CCN(c4ccccc4[N+](=O)[O-])CC3)cn21 ZINC000060843459 507580877 /nfs/dbraw/zinc/58/08/77/507580877.db2.gz BQMLROBXEOKDBB-UHFFFAOYSA-N 1 2 351.410 2.873 20 5 FFBDLO COc1cc(NC(=O)C[N@H+](C)Cc2cccc([N+](=O)[O-])c2)cc(OC)c1 ZINC000026737147 507605141 /nfs/dbraw/zinc/60/51/41/507605141.db2.gz CORUPFJHBQCRDZ-UHFFFAOYSA-N 1 2 359.382 2.683 20 5 FFBDLO COc1cc(NC(=O)C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)cc(OC)c1 ZINC000026737147 507605149 /nfs/dbraw/zinc/60/51/49/507605149.db2.gz CORUPFJHBQCRDZ-UHFFFAOYSA-N 1 2 359.382 2.683 20 5 FFBDLO Cc1nn(Cc2cn3cc(Br)ccc3[nH+]2)c(C)c1[N+](=O)[O-] ZINC000049769152 507638858 /nfs/dbraw/zinc/63/88/58/507638858.db2.gz DBAQPSWSAPPKLY-UHFFFAOYSA-N 1 2 350.176 2.867 20 5 FFBDLO CC(=O)c1cccc(OC[C@H](O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000027208400 507639073 /nfs/dbraw/zinc/63/90/73/507639073.db2.gz QPPBJCYHDQYFLB-QGZVFWFLSA-N 1 2 358.394 2.669 20 5 FFBDLO CC(=O)c1cccc(OC[C@H](O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000027208400 507639082 /nfs/dbraw/zinc/63/90/82/507639082.db2.gz QPPBJCYHDQYFLB-QGZVFWFLSA-N 1 2 358.394 2.669 20 5 FFBDLO NC(=O)c1ccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC000027343384 507648754 /nfs/dbraw/zinc/64/87/54/507648754.db2.gz FTRHFRAFZWNULF-UHFFFAOYSA-N 1 2 374.828 2.669 20 5 FFBDLO CNC(=O)c1ccc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)c([N+](=O)[O-])c1 ZINC000063254714 507706570 /nfs/dbraw/zinc/70/65/70/507706570.db2.gz QWRNCKFIBHSFAH-UHFFFAOYSA-N 1 2 369.356 2.891 20 5 FFBDLO O=[N+]([O-])c1c(NC[C@]2([NH+]3CCOCC3)CCSC2)ccc2ncccc21 ZINC000052038590 507794988 /nfs/dbraw/zinc/79/49/88/507794988.db2.gz FMNLCEXSGNFTBY-GOSISDBHSA-N 1 2 374.466 2.763 20 5 FFBDLO CO[C@]1(C)C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1(C)C ZINC000073256990 507908652 /nfs/dbraw/zinc/90/86/52/507908652.db2.gz GSDWKGZEOAABKK-MAUKXSAKSA-N 1 2 358.398 2.714 20 5 FFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCCC2(C1)OCCO2 ZINC000090561752 507927911 /nfs/dbraw/zinc/92/79/11/507927911.db2.gz ZXCWIFJKUBRYCC-GFCCVEGCSA-N 1 2 360.370 2.545 20 5 FFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCCC2(C1)OCCO2 ZINC000090561752 507927914 /nfs/dbraw/zinc/92/79/14/507927914.db2.gz ZXCWIFJKUBRYCC-GFCCVEGCSA-N 1 2 360.370 2.545 20 5 FFBDLO Cc1c(NC(=O)NCc2cccnc2-n2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000079217099 507944810 /nfs/dbraw/zinc/94/48/10/507944810.db2.gz NJDYFFVFKZQUGO-UHFFFAOYSA-N 1 2 352.354 2.806 20 5 FFBDLO Cc1cc(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)ncc1[N+](=O)[O-] ZINC000074740855 508051057 /nfs/dbraw/zinc/05/10/57/508051057.db2.gz SCUKUABDJOSOSN-KBPBESRZSA-N 1 2 357.414 2.919 20 5 FFBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)NCCc1cn2c([nH+]1)CCCC2 ZINC000075435614 508107066 /nfs/dbraw/zinc/10/70/66/508107066.db2.gz KCEZMEBVLKCBIZ-UHFFFAOYSA-N 1 2 360.439 2.579 20 5 FFBDLO COC(=O)C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000093458462 508145933 /nfs/dbraw/zinc/14/59/33/508145933.db2.gz YRWFVDOZQKEUHJ-CQSZACIVSA-N 1 2 360.366 2.619 20 5 FFBDLO COC(=O)C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000093458462 508145937 /nfs/dbraw/zinc/14/59/37/508145937.db2.gz YRWFVDOZQKEUHJ-CQSZACIVSA-N 1 2 360.366 2.619 20 5 FFBDLO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)ccc1Oc1ccccc1Cl ZINC000093483454 508146562 /nfs/dbraw/zinc/14/65/62/508146562.db2.gz ZTSLMLJLOVIZAU-GASCZTMLSA-N 1 2 364.785 2.578 20 5 FFBDLO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)ccc1Oc1ccccc1Cl ZINC000093483454 508146564 /nfs/dbraw/zinc/14/65/64/508146564.db2.gz ZTSLMLJLOVIZAU-GASCZTMLSA-N 1 2 364.785 2.578 20 5 FFBDLO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000114187630 508298255 /nfs/dbraw/zinc/29/82/55/508298255.db2.gz YNGFIHJPCXLFPL-HUUCEWRRSA-N 1 2 355.822 2.812 20 5 FFBDLO CC[C@@H](O)[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000114187630 508298257 /nfs/dbraw/zinc/29/82/57/508298257.db2.gz YNGFIHJPCXLFPL-HUUCEWRRSA-N 1 2 355.822 2.812 20 5 FFBDLO CCCc1[nH]nc(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)c1[N+](=O)[O-] ZINC000156559642 508439825 /nfs/dbraw/zinc/43/98/25/508439825.db2.gz BEYOHRKWZTVXFL-UHFFFAOYSA-N 1 2 354.370 2.923 20 5 FFBDLO Cc1cc(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000121913234 508447013 /nfs/dbraw/zinc/44/70/13/508447013.db2.gz MIWHISZKNUAADY-IBGZPJMESA-N 1 2 369.421 2.707 20 5 FFBDLO C[C@H](C(=O)NCCc1cccs1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153288779 508568365 /nfs/dbraw/zinc/56/83/65/508568365.db2.gz HLGQQLGVCXLMCO-CYBMUJFWSA-N 1 2 359.451 2.762 20 5 FFBDLO C[C@H](C(=O)NCCc1cccs1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153288779 508568370 /nfs/dbraw/zinc/56/83/70/508568370.db2.gz HLGQQLGVCXLMCO-CYBMUJFWSA-N 1 2 359.451 2.762 20 5 FFBDLO CC(C)C[C@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000136236612 508680970 /nfs/dbraw/zinc/68/09/70/508680970.db2.gz SWNSXZKIUZZOKT-CYBMUJFWSA-N 1 2 369.849 2.725 20 5 FFBDLO CC(C)Cn1cc[nH+]c1CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000119297895 508767167 /nfs/dbraw/zinc/76/71/67/508767167.db2.gz WLPMGPIYSRGZIE-UHFFFAOYSA-N 1 2 368.397 2.563 20 5 FFBDLO C[C@@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000119640623 508834786 /nfs/dbraw/zinc/83/47/86/508834786.db2.gz XWQTZRCCVHVBBH-SNVBAGLBSA-N 1 2 369.830 2.746 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000144317132 508837257 /nfs/dbraw/zinc/83/72/57/508837257.db2.gz JMTHKNSXYUHGBH-UHFFFAOYSA-N 1 2 370.340 2.858 20 5 FFBDLO Cc1c(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cccc1[N+](=O)[O-] ZINC000159760253 508886277 /nfs/dbraw/zinc/88/62/77/508886277.db2.gz PIFZYTOMBXCLDW-UHFFFAOYSA-N 1 2 369.421 2.917 20 5 FFBDLO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000125065261 508925996 /nfs/dbraw/zinc/92/59/96/508925996.db2.gz FLPGMJBRIHMMJW-UHFFFAOYSA-N 1 2 361.373 2.644 20 5 FFBDLO Cn1cc(Cl)cc1C[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000120250905 508959011 /nfs/dbraw/zinc/95/90/11/508959011.db2.gz MJRMSPKCUPSQAI-UHFFFAOYSA-N 1 2 362.817 2.608 20 5 FFBDLO Cn1cc(Cl)cc1C[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000120250905 508959013 /nfs/dbraw/zinc/95/90/13/508959013.db2.gz MJRMSPKCUPSQAI-UHFFFAOYSA-N 1 2 362.817 2.608 20 5 FFBDLO Cc1c(CC(=O)NCc2ccccc2-n2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000160419627 508984711 /nfs/dbraw/zinc/98/47/11/508984711.db2.gz PEURMMGYWSXWHA-UHFFFAOYSA-N 1 2 350.378 2.948 20 5 FFBDLO Cc1sc(S(=O)(=O)N2CC[NH+](C3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000125636677 509010001 /nfs/dbraw/zinc/01/00/01/509010001.db2.gz LUMAMFHFJCIXEY-UHFFFAOYSA-N 1 2 373.500 2.604 20 5 FFBDLO COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000125767119 509027113 /nfs/dbraw/zinc/02/71/13/509027113.db2.gz IUQYGSWFFHOHHB-HOTGVXAUSA-N 1 2 360.366 2.617 20 5 FFBDLO COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000125767119 509027116 /nfs/dbraw/zinc/02/71/16/509027116.db2.gz IUQYGSWFFHOHHB-HOTGVXAUSA-N 1 2 360.366 2.617 20 5 FFBDLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000132477203 509037071 /nfs/dbraw/zinc/03/70/71/509037071.db2.gz IARGFVMGIUXQIN-UHFFFAOYSA-N 1 2 368.368 2.951 20 5 FFBDLO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000155949617 509098531 /nfs/dbraw/zinc/09/85/31/509098531.db2.gz NWHICWDIMNKVGS-UHFFFAOYSA-N 1 2 357.385 2.621 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000156147311 509134436 /nfs/dbraw/zinc/13/44/36/509134436.db2.gz OJVYKBMZBVWIIQ-CYBMUJFWSA-N 1 2 373.413 2.824 20 5 FFBDLO COc1cc(C[NH+]2CCN(c3cccc(O)c3)CC2)c([N+](=O)[O-])cc1OC ZINC000121637687 509179802 /nfs/dbraw/zinc/17/98/02/509179802.db2.gz LDIITLOOSOAJGF-UHFFFAOYSA-N 1 2 373.409 2.640 20 5 FFBDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000247949745 509197757 /nfs/dbraw/zinc/19/77/57/509197757.db2.gz JMRILGCCGNKWCO-UHFFFAOYSA-N 1 2 368.393 2.838 20 5 FFBDLO Cc1c(NC(=O)N2CC[NH+](Cc3ccccn3)CC2)cccc1[N+](=O)[O-] ZINC000162618263 509265667 /nfs/dbraw/zinc/26/56/67/509265667.db2.gz GKVMZBKUMXCJFC-UHFFFAOYSA-N 1 2 355.398 2.648 20 5 FFBDLO Cc1c(Br)cc(C(=O)NCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000162671616 509277479 /nfs/dbraw/zinc/27/74/79/509277479.db2.gz LRHWFMIIHNXKMO-UHFFFAOYSA-N 1 2 367.203 2.682 20 5 FFBDLO C[C@H]1Cc2ccccc2C[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000172907252 509303112 /nfs/dbraw/zinc/30/31/12/509303112.db2.gz ILVCQGSPFCBQTI-LBPRGKRZSA-N 1 2 369.377 2.709 20 5 FFBDLO C[C@H]1Cc2ccccc2C[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000172907252 509303118 /nfs/dbraw/zinc/30/31/18/509303118.db2.gz ILVCQGSPFCBQTI-LBPRGKRZSA-N 1 2 369.377 2.709 20 5 FFBDLO CN(C)c1[nH+]cccc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182619577 509336525 /nfs/dbraw/zinc/33/65/25/509336525.db2.gz RILLRZCOULNQKL-UHFFFAOYSA-N 1 2 352.297 2.910 20 5 FFBDLO COc1cc(C[N@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)c([N+](=O)[O-])cc1F ZINC000248626400 509398536 /nfs/dbraw/zinc/39/85/36/509398536.db2.gz OJEMVBMCMXVZAO-CZUORRHYSA-N 1 2 374.434 2.530 20 5 FFBDLO COc1cc(C[N@@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)c([N+](=O)[O-])cc1F ZINC000248626400 509398539 /nfs/dbraw/zinc/39/85/39/509398539.db2.gz OJEMVBMCMXVZAO-CZUORRHYSA-N 1 2 374.434 2.530 20 5 FFBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000192248737 509426443 /nfs/dbraw/zinc/42/64/43/509426443.db2.gz NPJSNNNDJHQYPF-UHFFFAOYSA-N 1 2 359.430 2.704 20 5 FFBDLO C[S@](=O)C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 ZINC000183133838 509618656 /nfs/dbraw/zinc/61/86/56/509618656.db2.gz HVZJIXIKOLWAAD-MQNRADLISA-N 1 2 359.407 2.945 20 5 FFBDLO CC(C)[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1nc(C2CC2)no1 ZINC000179815721 509635645 /nfs/dbraw/zinc/63/56/45/509635645.db2.gz JQXPMJOUKUBTGS-INIZCTEOSA-N 1 2 373.413 2.805 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c([N+](=O)[O-])c1 ZINC000249684482 509734313 /nfs/dbraw/zinc/73/43/13/509734313.db2.gz KLXQCKMRKOYYJG-QWHCGFSZSA-N 1 2 373.413 2.533 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c([N+](=O)[O-])c1 ZINC000249684482 509734318 /nfs/dbraw/zinc/73/43/18/509734318.db2.gz KLXQCKMRKOYYJG-QWHCGFSZSA-N 1 2 373.413 2.533 20 5 FFBDLO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1C ZINC000251694412 509816567 /nfs/dbraw/zinc/81/65/67/509816567.db2.gz JPNIIFFTPXFQIM-JRPNMDOOSA-N 1 2 355.822 2.932 20 5 FFBDLO CO[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1C ZINC000251694412 509816570 /nfs/dbraw/zinc/81/65/70/509816570.db2.gz JPNIIFFTPXFQIM-JRPNMDOOSA-N 1 2 355.822 2.932 20 5 FFBDLO CCS(=O)(=O)C[C@H](C)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000265004688 509818644 /nfs/dbraw/zinc/81/86/44/509818644.db2.gz VYGUPUXCMUPTRN-LBPRGKRZSA-N 1 2 364.427 2.595 20 5 FFBDLO Cc1cccn2cc(CNS(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])[nH+]c12 ZINC000180250454 509834449 /nfs/dbraw/zinc/83/44/49/509834449.db2.gz RUTUQLASWXFYEH-UHFFFAOYSA-N 1 2 374.422 2.646 20 5 FFBDLO CCc1c[nH+]ccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000265046453 509837170 /nfs/dbraw/zinc/83/71/70/509837170.db2.gz XOYCCKYRAGGCRN-GFCCVEGCSA-N 1 2 372.356 2.683 20 5 FFBDLO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC[N@H+](Cc2cscn2)CC1 ZINC000171023719 509895711 /nfs/dbraw/zinc/89/57/11/509895711.db2.gz OSWKAVPZXWYCOK-VOTSOKGWSA-N 1 2 372.450 2.799 20 5 FFBDLO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000171023719 509895722 /nfs/dbraw/zinc/89/57/22/509895722.db2.gz OSWKAVPZXWYCOK-VOTSOKGWSA-N 1 2 372.450 2.799 20 5 FFBDLO Cc1ccc(C)c(S(=O)(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000190064993 509917825 /nfs/dbraw/zinc/91/78/25/509917825.db2.gz YIFSCTLTPNEWHH-ZDUSSCGKSA-N 1 2 364.427 2.851 20 5 FFBDLO Cc1ccc([C@H](C)NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000193452643 509920994 /nfs/dbraw/zinc/92/09/94/509920994.db2.gz DNEKAOVEMOVZTH-KSSFIOAISA-N 1 2 361.442 2.724 20 5 FFBDLO Cc1ccc([C@H](C)NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000193452643 509920998 /nfs/dbraw/zinc/92/09/98/509920998.db2.gz DNEKAOVEMOVZTH-KSSFIOAISA-N 1 2 361.442 2.724 20 5 FFBDLO C[C@@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H](C(N)=O)C1 ZINC000190158125 509975406 /nfs/dbraw/zinc/97/54/06/509975406.db2.gz XZQOSZXVUFRBAQ-ABAIWWIYSA-N 1 2 360.439 2.804 20 5 FFBDLO C[C@@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H](C(N)=O)C1 ZINC000190158125 509975409 /nfs/dbraw/zinc/97/54/09/509975409.db2.gz XZQOSZXVUFRBAQ-ABAIWWIYSA-N 1 2 360.439 2.804 20 5 FFBDLO CC1CCN(c2ccc(CNC(=O)c3c(N)cccc3[N+](=O)[O-])c[nH+]2)CC1 ZINC000180665540 510043516 /nfs/dbraw/zinc/04/35/16/510043516.db2.gz TUCDQDVVYHUZAG-UHFFFAOYSA-N 1 2 369.425 2.738 20 5 FFBDLO CC(C)(C(=O)N1CC[NH+](Cc2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000265783150 510228619 /nfs/dbraw/zinc/22/86/19/510228619.db2.gz KLKVXDOADXQRIF-UHFFFAOYSA-N 1 2 368.437 2.612 20 5 FFBDLO C[N@@H+]1CCc2nc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000269100018 510233449 /nfs/dbraw/zinc/23/34/49/510233449.db2.gz OONINHPCIGEHLA-UHFFFAOYSA-N 1 2 360.439 2.956 20 5 FFBDLO C[N@H+]1CCc2nc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000269100018 510233455 /nfs/dbraw/zinc/23/34/55/510233455.db2.gz OONINHPCIGEHLA-UHFFFAOYSA-N 1 2 360.439 2.956 20 5 FFBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)c1 ZINC000171590105 510241768 /nfs/dbraw/zinc/24/17/68/510241768.db2.gz PHQXJSYIXUFBNI-ZDUSSCGKSA-N 1 2 359.382 2.715 20 5 FFBDLO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccc(S(C)(=O)=O)cc1 ZINC000265817748 510244856 /nfs/dbraw/zinc/24/48/56/510244856.db2.gz AATVKKSTZCEYPG-UHFFFAOYSA-N 1 2 364.423 2.509 20 5 FFBDLO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccc(S(C)(=O)=O)cc1 ZINC000265817748 510244864 /nfs/dbraw/zinc/24/48/64/510244864.db2.gz AATVKKSTZCEYPG-UHFFFAOYSA-N 1 2 364.423 2.509 20 5 FFBDLO COc1ccc([C@H](CNc2nc(C)ccc2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000178149672 510458163 /nfs/dbraw/zinc/45/81/63/510458163.db2.gz GPHALHDHHBLFOP-SFHVURJKSA-N 1 2 372.425 2.792 20 5 FFBDLO COc1ccc([C@@H](CNc2nc(C)ccc2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000178149684 510458483 /nfs/dbraw/zinc/45/84/83/510458483.db2.gz GPHALHDHHBLFOP-GOSISDBHSA-N 1 2 372.425 2.792 20 5 FFBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000184690271 510465066 /nfs/dbraw/zinc/46/50/66/510465066.db2.gz LALGRBJELRQVHL-OAHLLOKOSA-N 1 2 356.426 2.941 20 5 FFBDLO COc1ccc(NC(=O)C[NH2+][C@H](C)c2ncc(C)s2)c([N+](=O)[O-])c1 ZINC000184978500 510613641 /nfs/dbraw/zinc/61/36/41/510613641.db2.gz RBUISSZAOYHXLO-SNVBAGLBSA-N 1 2 350.400 2.658 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000191366952 510626866 /nfs/dbraw/zinc/62/68/66/510626866.db2.gz UAVXGKXDLPIUIV-UHFFFAOYSA-N 1 2 369.425 2.956 20 5 FFBDLO O=C(NCc1ccc(O)c(F)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000172416477 510715815 /nfs/dbraw/zinc/71/58/15/510715815.db2.gz ZEMFTIUSHUEOTN-UHFFFAOYSA-N 1 2 356.313 2.555 20 5 FFBDLO Cc1ccc([C@H](C)NC(=O)NCc2ccc[nH+]c2N(C)C)cc1[N+](=O)[O-] ZINC000175777634 510785726 /nfs/dbraw/zinc/78/57/26/510785726.db2.gz JWFXPTKRUAKDCC-ZDUSSCGKSA-N 1 2 357.414 2.925 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](OCC(C)C)C1 ZINC000247627927 510867379 /nfs/dbraw/zinc/86/73/79/510867379.db2.gz NPWARSWWRSJKFZ-UKRRQHHQSA-N 1 2 365.430 2.677 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](OCC(C)C)C1 ZINC000247627927 510867380 /nfs/dbraw/zinc/86/73/80/510867380.db2.gz NPWARSWWRSJKFZ-UKRRQHHQSA-N 1 2 365.430 2.677 20 5 FFBDLO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@]2(CCOC2)O1 ZINC000293946758 510907355 /nfs/dbraw/zinc/90/73/55/510907355.db2.gz BLYBYQYTJIISQL-ABAIWWIYSA-N 1 2 360.332 2.993 20 5 FFBDLO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@]2(CCOC2)O1 ZINC000293946758 510907360 /nfs/dbraw/zinc/90/73/60/510907360.db2.gz BLYBYQYTJIISQL-ABAIWWIYSA-N 1 2 360.332 2.993 20 5 FFBDLO O=[N+]([O-])c1ccc(OC2CN(Cc3[nH+]ccn3CC(F)(F)F)C2)cc1 ZINC000297364383 510918362 /nfs/dbraw/zinc/91/83/62/510918362.db2.gz HVDVQLGKXKOQJF-UHFFFAOYSA-N 1 2 356.304 2.617 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000270896646 511019099 /nfs/dbraw/zinc/01/90/99/511019099.db2.gz ZBVRAQGFVKRHDP-UHFFFAOYSA-N 1 2 351.366 2.886 20 5 FFBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279507804 511108560 /nfs/dbraw/zinc/10/85/60/511108560.db2.gz KHKHIVQZPXUTNO-UHFFFAOYSA-N 1 2 369.425 2.730 20 5 FFBDLO CS(=O)(=O)C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 ZINC000283102795 511236123 /nfs/dbraw/zinc/23/61/23/511236123.db2.gz LXBIOLFZZCKMLZ-OAHLLOKOSA-N 1 2 352.387 2.609 20 5 FFBDLO COc1cc(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)cc([N+](=O)[O-])c1C ZINC000365094449 511252411 /nfs/dbraw/zinc/25/24/11/511252411.db2.gz ZVGAAQNGYDUDJU-ZDUSSCGKSA-N 1 2 358.398 2.724 20 5 FFBDLO C[C@@H](C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000365549279 511521249 /nfs/dbraw/zinc/52/12/49/511521249.db2.gz QLUZDEPQPMHEBT-IUODEOHRSA-N 1 2 359.357 2.912 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1(C)C ZINC000295975558 511575136 /nfs/dbraw/zinc/57/51/36/511575136.db2.gz SUBAMDQNTIEAPF-ZDUSSCGKSA-N 1 2 372.410 2.556 20 5 FFBDLO CC(C)N(C)c1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cn1 ZINC000296083989 511614671 /nfs/dbraw/zinc/61/46/71/511614671.db2.gz SCNAPIIJDWJAKA-UHFFFAOYSA-N 1 2 370.457 2.552 20 5 FFBDLO COC(=O)[C@@H](c1ccccc1C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365824149 511669876 /nfs/dbraw/zinc/66/98/76/511669876.db2.gz YOAQXNMROWTQCG-QGZVFWFLSA-N 1 2 358.398 2.651 20 5 FFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000365926013 511731688 /nfs/dbraw/zinc/73/16/88/511731688.db2.gz ZPVRKVVREDJLML-LLVKDONJSA-N 1 2 369.385 2.704 20 5 FFBDLO COc1cc(C[N@H+](C)CCNC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000296567323 511800037 /nfs/dbraw/zinc/80/00/37/511800037.db2.gz OIDGUBRXTGTRQB-UHFFFAOYSA-N 1 2 369.418 2.569 20 5 FFBDLO COc1cc(C[N@@H+](C)CCNC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000296567323 511800042 /nfs/dbraw/zinc/80/00/42/511800042.db2.gz OIDGUBRXTGTRQB-UHFFFAOYSA-N 1 2 369.418 2.569 20 5 FFBDLO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000323898568 511831853 /nfs/dbraw/zinc/83/18/53/511831853.db2.gz JKJMIUIENUEZSV-OAHLLOKOSA-N 1 2 369.421 2.895 20 5 FFBDLO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000323898568 511831856 /nfs/dbraw/zinc/83/18/56/511831856.db2.gz JKJMIUIENUEZSV-OAHLLOKOSA-N 1 2 369.421 2.895 20 5 FFBDLO C[N@H+](Cc1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1)[C@@H]1CCSC1 ZINC000350586790 511846887 /nfs/dbraw/zinc/84/68/87/511846887.db2.gz AAIKMIGTRXINTH-CYBMUJFWSA-N 1 2 373.438 2.987 20 5 FFBDLO C[N@@H+](Cc1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1)[C@@H]1CCSC1 ZINC000350586790 511846893 /nfs/dbraw/zinc/84/68/93/511846893.db2.gz AAIKMIGTRXINTH-CYBMUJFWSA-N 1 2 373.438 2.987 20 5 FFBDLO COc1cc(C[NH2+][C@@]2(CO)CCOc3ccccc32)c([N+](=O)[O-])cc1F ZINC000281795129 511969286 /nfs/dbraw/zinc/96/92/86/511969286.db2.gz UVZDQXSZPUUIRJ-GOSISDBHSA-N 1 2 362.357 2.502 20 5 FFBDLO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@]2(CCCOC2)O1 ZINC000366484457 512047905 /nfs/dbraw/zinc/04/79/05/512047905.db2.gz JDSNXHZXPBWAAI-SJKOYZFVSA-N 1 2 372.368 2.966 20 5 FFBDLO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@]2(CCCOC2)O1 ZINC000366484457 512047910 /nfs/dbraw/zinc/04/79/10/512047910.db2.gz JDSNXHZXPBWAAI-SJKOYZFVSA-N 1 2 372.368 2.966 20 5 FFBDLO Cc1c(NC(=O)CC[N@@H+]2CCOC[C@H]2c2ccco2)cccc1[N+](=O)[O-] ZINC000375786496 512506652 /nfs/dbraw/zinc/50/66/52/512506652.db2.gz CVHZVKKROYVALK-INIZCTEOSA-N 1 2 359.382 2.898 20 5 FFBDLO Cc1c(NC(=O)CC[N@H+]2CCOC[C@H]2c2ccco2)cccc1[N+](=O)[O-] ZINC000375786496 512506654 /nfs/dbraw/zinc/50/66/54/512506654.db2.gz CVHZVKKROYVALK-INIZCTEOSA-N 1 2 359.382 2.898 20 5 FFBDLO CCOC(=O)C1(COC)CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000369800172 512618444 /nfs/dbraw/zinc/61/84/44/512618444.db2.gz RYHGWOLUVQOQBS-UHFFFAOYSA-N 1 2 354.378 2.526 20 5 FFBDLO Cc1ccc([C@@H](C)NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000378263151 512664850 /nfs/dbraw/zinc/66/48/50/512664850.db2.gz HIDAHJZHBXKWIO-UKRRQHHQSA-N 1 2 357.414 2.897 20 5 FFBDLO Cn1ncc2c1CCC[N@H+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000411861758 512848635 /nfs/dbraw/zinc/84/86/35/512848635.db2.gz XKQIZIBLFNQQBZ-UHFFFAOYSA-N 1 2 353.382 2.932 20 5 FFBDLO Cn1ncc2c1CCC[N@@H+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000411861758 512848638 /nfs/dbraw/zinc/84/86/38/512848638.db2.gz XKQIZIBLFNQQBZ-UHFFFAOYSA-N 1 2 353.382 2.932 20 5 FFBDLO C[C@@H](CCNC(=O)c1cc(O)ccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000379704966 512872097 /nfs/dbraw/zinc/87/20/97/512872097.db2.gz MAWKVFUQFGEFGY-AWEZNQCLSA-N 1 2 357.410 2.941 20 5 FFBDLO C[C@@H](CCNC(=O)c1cc(O)ccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000379704966 512872098 /nfs/dbraw/zinc/87/20/98/512872098.db2.gz MAWKVFUQFGEFGY-AWEZNQCLSA-N 1 2 357.410 2.941 20 5 FFBDLO Cn1c[nH+]cc1CNc1ccc(I)cc1[N+](=O)[O-] ZINC000388404993 512895037 /nfs/dbraw/zinc/89/50/37/512895037.db2.gz RPBSRWHUCGFLTJ-UHFFFAOYSA-N 1 2 358.139 2.545 20 5 FFBDLO COc1ccc(C[NH2+][C@H](c2nc(C)no2)C2CCOCC2)cc1[N+](=O)[O-] ZINC000376739434 512966299 /nfs/dbraw/zinc/96/62/99/512966299.db2.gz JGESQAGTJXOXRX-INIZCTEOSA-N 1 2 362.386 2.552 20 5 FFBDLO CO[C@@H]1[C@H](C)[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1(C)C ZINC000450423616 513188828 /nfs/dbraw/zinc/18/88/28/513188828.db2.gz XRAXBBPTEMQNKL-HFBAOOFYSA-N 1 2 358.398 2.570 20 5 FFBDLO CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1C ZINC000440504425 513338364 /nfs/dbraw/zinc/33/83/64/513338364.db2.gz WSXHWVGPZLFMFS-HNNXBMFYSA-N 1 2 371.441 2.797 20 5 FFBDLO CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1C ZINC000440504425 513338368 /nfs/dbraw/zinc/33/83/68/513338368.db2.gz WSXHWVGPZLFMFS-HNNXBMFYSA-N 1 2 371.441 2.797 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425000520 513360738 /nfs/dbraw/zinc/36/07/38/513360738.db2.gz BWBAPZRHBULXPP-MAUKXSAKSA-N 1 2 367.405 2.647 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425000520 513360741 /nfs/dbraw/zinc/36/07/41/513360741.db2.gz BWBAPZRHBULXPP-MAUKXSAKSA-N 1 2 367.405 2.647 20 5 FFBDLO CCN(CC)C(=O)N1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413088330 513436772 /nfs/dbraw/zinc/43/67/72/513436772.db2.gz GHQMFEGLSZXHQJ-UHFFFAOYSA-N 1 2 357.414 2.727 20 5 FFBDLO O=[N+]([O-])c1cccc(S(=O)(=O)Cc2[nH+]ccn2Cc2ccccc2)c1 ZINC000429909072 513495498 /nfs/dbraw/zinc/49/54/98/513495498.db2.gz LAKZZUDHQXTUQS-UHFFFAOYSA-N 1 2 357.391 2.814 20 5 FFBDLO CCc1nc(C(C)(C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)no1 ZINC000441254092 513522132 /nfs/dbraw/zinc/52/21/32/513522132.db2.gz MJGSFJQEWZECAB-UHFFFAOYSA-N 1 2 361.402 2.702 20 5 FFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c1 ZINC000425349525 513522332 /nfs/dbraw/zinc/52/23/32/513522332.db2.gz KSKREJIWPWIJLM-ZDUSSCGKSA-N 1 2 353.329 2.625 20 5 FFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@H](n3ccnn3)C2)c1 ZINC000425349525 513522338 /nfs/dbraw/zinc/52/23/38/513522338.db2.gz KSKREJIWPWIJLM-ZDUSSCGKSA-N 1 2 353.329 2.625 20 5 FFBDLO CC(C)C(=O)NCC[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425419727 513555733 /nfs/dbraw/zinc/55/57/33/513555733.db2.gz LINKJXDZKZBPCP-UHFFFAOYSA-N 1 2 358.236 2.561 20 5 FFBDLO CC(C)C(=O)NCC[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425419727 513555738 /nfs/dbraw/zinc/55/57/38/513555738.db2.gz LINKJXDZKZBPCP-UHFFFAOYSA-N 1 2 358.236 2.561 20 5 FFBDLO CN(C)c1ccc(CNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])c[nH+]1 ZINC000447817749 513581502 /nfs/dbraw/zinc/58/15/02/513581502.db2.gz PMKLYPKMNYHFAE-UHFFFAOYSA-N 1 2 371.441 2.500 20 5 FFBDLO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000430203507 513586772 /nfs/dbraw/zinc/58/67/72/513586772.db2.gz JDYFTOBSAPHVTC-HWKANZROSA-N 1 2 364.467 2.899 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451284968 513651756 /nfs/dbraw/zinc/65/17/56/513651756.db2.gz QFUJUJVVTANRRG-HKUYNNGSSA-N 1 2 360.385 2.903 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451284968 513651762 /nfs/dbraw/zinc/65/17/62/513651762.db2.gz QFUJUJVVTANRRG-HKUYNNGSSA-N 1 2 360.385 2.903 20 5 FFBDLO CS[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000451317610 513674246 /nfs/dbraw/zinc/67/42/46/513674246.db2.gz CTAKNGTZGAGPAR-SNVBAGLBSA-N 1 2 374.260 2.733 20 5 FFBDLO CS[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000451317610 513674247 /nfs/dbraw/zinc/67/42/47/513674247.db2.gz CTAKNGTZGAGPAR-SNVBAGLBSA-N 1 2 374.260 2.733 20 5 FFBDLO CC(C)OC(=O)CC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451341577 513688505 /nfs/dbraw/zinc/68/85/05/513688505.db2.gz MKBSDZCSFAJNII-CYBMUJFWSA-N 1 2 374.397 2.631 20 5 FFBDLO CC(C)OC(=O)CC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451341578 513688603 /nfs/dbraw/zinc/68/86/03/513688603.db2.gz MKBSDZCSFAJNII-ZDUSSCGKSA-N 1 2 374.397 2.631 20 5 FFBDLO COc1cc[nH+]cc1CNc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000431488812 513910041 /nfs/dbraw/zinc/91/00/41/513910041.db2.gz WYTZRAQUTDQZFH-UHFFFAOYSA-N 1 2 351.366 2.798 20 5 FFBDLO O=C(C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000451695455 513915850 /nfs/dbraw/zinc/91/58/50/513915850.db2.gz NLGHIKMQUZEHGO-MBNYWOFBSA-N 1 2 367.833 2.670 20 5 FFBDLO O=C(C[N@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000451695455 513915852 /nfs/dbraw/zinc/91/58/52/513915852.db2.gz NLGHIKMQUZEHGO-MBNYWOFBSA-N 1 2 367.833 2.670 20 5 FFBDLO CCC[C@H](C)C(=O)NCCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000431514040 513917628 /nfs/dbraw/zinc/91/76/28/513917628.db2.gz OKTPLGGJWRSLIJ-ZDUSSCGKSA-N 1 2 371.441 2.746 20 5 FFBDLO NC(=O)CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCOc2ccccc21 ZINC000451720594 513937123 /nfs/dbraw/zinc/93/71/23/513937123.db2.gz XUWCQHBZEHYJSX-QGZVFWFLSA-N 1 2 371.393 2.502 20 5 FFBDLO NC(=O)CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCOc2ccccc21 ZINC000451720594 513937130 /nfs/dbraw/zinc/93/71/30/513937130.db2.gz XUWCQHBZEHYJSX-QGZVFWFLSA-N 1 2 371.393 2.502 20 5 FFBDLO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cc([N+](=O)[O-])ccc1O ZINC000436950739 514047667 /nfs/dbraw/zinc/04/76/67/514047667.db2.gz CLTNOGKAJDNKDM-UHFFFAOYSA-N 1 2 355.394 2.826 20 5 FFBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])Nc1cccc(C[N@@H+]2CCNC(=O)C2)c1 ZINC000449339818 514173671 /nfs/dbraw/zinc/17/36/71/514173671.db2.gz ZFEHXUHCTXZQLH-HNNXBMFYSA-N 1 2 368.437 2.570 20 5 FFBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])Nc1cccc(C[N@H+]2CCNC(=O)C2)c1 ZINC000449339818 514173680 /nfs/dbraw/zinc/17/36/80/514173680.db2.gz ZFEHXUHCTXZQLH-HNNXBMFYSA-N 1 2 368.437 2.570 20 5 FFBDLO NC(=O)c1cccc([N+](=O)[O-])c1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000420588178 514193562 /nfs/dbraw/zinc/19/35/62/514193562.db2.gz RGKTWFVGHPPUEX-UHFFFAOYSA-N 1 2 355.398 2.691 20 5 FFBDLO CCCc1nc(C)c(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)o1 ZINC000452120939 514205375 /nfs/dbraw/zinc/20/53/75/514205375.db2.gz JSQDZFZIYYBDBN-UHFFFAOYSA-N 1 2 369.381 2.959 20 5 FFBDLO CC(C)(C)c1ccc(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)cc1[N+](=O)[O-] ZINC000449655538 514285107 /nfs/dbraw/zinc/28/51/07/514285107.db2.gz ZHNRWURTOPKTFO-GFCCVEGCSA-N 1 2 355.385 2.867 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H](OCC2CC2)C1 ZINC000428108112 514398615 /nfs/dbraw/zinc/39/86/15/514398615.db2.gz QDVMMHPXARGVIK-MRXNPFEDSA-N 1 2 370.409 2.812 20 5 FFBDLO CC(C)C[C@H](CCO)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450015378 514467105 /nfs/dbraw/zinc/46/71/05/514467105.db2.gz GROVRWFFAJVCFW-AWEZNQCLSA-N 1 2 360.414 2.555 20 5 FFBDLO CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450060465 514484278 /nfs/dbraw/zinc/48/42/78/514484278.db2.gz WGNCVHFWSNMFEI-QAPCUYQASA-N 1 2 372.425 2.962 20 5 FFBDLO Cc1c(CC(=O)NCc2[nH+]ccn2CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000439076747 514490516 /nfs/dbraw/zinc/49/05/16/514490516.db2.gz KROUOZRFAHDVNZ-UHFFFAOYSA-N 1 2 356.304 2.521 20 5 FFBDLO Cc1c(Br)c(N(C)Cc2ccc(N)[nH+]c2)ncc1[N+](=O)[O-] ZINC000445606730 514498382 /nfs/dbraw/zinc/49/83/82/514498382.db2.gz ASYQDLHNORPSJI-UHFFFAOYSA-N 1 2 352.192 2.505 20 5 FFBDLO CC(C)[C@H]1C[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000452817658 514506011 /nfs/dbraw/zinc/50/60/11/514506011.db2.gz CUHRKLUUZWBQEF-RDTXWAMCSA-N 1 2 372.425 2.962 20 5 FFBDLO CCO[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000452856475 514519865 /nfs/dbraw/zinc/51/98/65/514519865.db2.gz JVVQYAMAZUKRDL-CXAGYDPISA-N 1 2 358.398 2.668 20 5 FFBDLO Cc1cc(C)c(CNC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c[nH+]1 ZINC000455561014 514591973 /nfs/dbraw/zinc/59/19/73/514591973.db2.gz QDDGVFCEBTYNMR-UHFFFAOYSA-N 1 2 369.425 2.638 20 5 FFBDLO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)ccc1OCC[NH+](C)C ZINC000458191469 514613461 /nfs/dbraw/zinc/61/34/61/514613461.db2.gz GSEMBPCOASQALR-UHFFFAOYSA-N 1 2 359.382 2.802 20 5 FFBDLO Cc1ccccc1-c1nc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)no1 ZINC000489008332 514671052 /nfs/dbraw/zinc/67/10/52/514671052.db2.gz HWOWXWGEAQHFTG-UHFFFAOYSA-N 1 2 368.397 2.987 20 5 FFBDLO CCOc1cc(N2CCN(Cc3[nH+]ccn3CC)CC2)ccc1[N+](=O)[O-] ZINC000475512539 514695194 /nfs/dbraw/zinc/69/51/94/514695194.db2.gz PANJXDFRTMNSAE-UHFFFAOYSA-N 1 2 359.430 2.532 20 5 FFBDLO Cc1cc(NC[C@]2([NH+]3CCOCC3)CCSC2)c(F)cc1[N+](=O)[O-] ZINC000461781111 514733442 /nfs/dbraw/zinc/73/34/42/514733442.db2.gz VTSRMVKLUYTIPP-MRXNPFEDSA-N 1 2 355.435 2.662 20 5 FFBDLO O=C(C1CCCCC1)N1CC[NH+](CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000498909891 515113241 /nfs/dbraw/zinc/11/32/41/515113241.db2.gz JXJUOAIFWKTSLG-UHFFFAOYSA-N 1 2 360.458 2.731 20 5 FFBDLO C[C@H]1C[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000456396525 515155778 /nfs/dbraw/zinc/15/57/78/515155778.db2.gz BBTYUTQTWKXHHR-UFBFGSQYSA-N 1 2 365.187 2.990 20 5 FFBDLO C[C@H]1C[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000456430686 515179748 /nfs/dbraw/zinc/17/97/48/515179748.db2.gz SGTQENFPSPTNSA-KWQFWETISA-N 1 2 365.187 2.990 20 5 FFBDLO COc1ccc(C(=O)Nc2ccc3[nH]c(N(C)C)[nH+]c3c2)cc1[N+](=O)[O-] ZINC000468013882 515195837 /nfs/dbraw/zinc/19/58/37/515195837.db2.gz LOEWGHIDEGUIIS-UHFFFAOYSA-N 1 2 355.354 2.798 20 5 FFBDLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000485857192 515220123 /nfs/dbraw/zinc/22/01/23/515220123.db2.gz IQHKYQQKOJXWBZ-GFCCVEGCSA-N 1 2 360.414 2.985 20 5 FFBDLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000485857192 515220129 /nfs/dbraw/zinc/22/01/29/515220129.db2.gz IQHKYQQKOJXWBZ-GFCCVEGCSA-N 1 2 360.414 2.985 20 5 FFBDLO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cc(-n2cc[nH+]c2)ccn1 ZINC000490634640 515269040 /nfs/dbraw/zinc/26/90/40/515269040.db2.gz AIZZNPVEXIJOOS-UHFFFAOYSA-N 1 2 371.784 2.801 20 5 FFBDLO CO[C@H]1C[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C12CCC2 ZINC000456614610 515288422 /nfs/dbraw/zinc/28/84/22/515288422.db2.gz GMMCFHQCNRDOAQ-IRXDYDNUSA-N 1 2 370.409 2.810 20 5 FFBDLO Cc1cc(C)c(CNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)c[nH+]1 ZINC000456851672 515459981 /nfs/dbraw/zinc/45/99/81/515459981.db2.gz WZQPGSBMCZNYFS-UHFFFAOYSA-N 1 2 361.423 2.621 20 5 FFBDLO CCOc1cc(N2CC[NH+](Cc3cccnc3OC)CC2)ccc1[N+](=O)[O-] ZINC000481778210 515464940 /nfs/dbraw/zinc/46/49/40/515464940.db2.gz KTOCPWWGDLOPIR-UHFFFAOYSA-N 1 2 372.425 2.719 20 5 FFBDLO CC[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000505419659 515529473 /nfs/dbraw/zinc/52/94/73/515529473.db2.gz FWEPXZKPVXIABA-INIZCTEOSA-N 1 2 369.421 2.867 20 5 FFBDLO CC[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000505419659 515529478 /nfs/dbraw/zinc/52/94/78/515529478.db2.gz FWEPXZKPVXIABA-INIZCTEOSA-N 1 2 369.421 2.867 20 5 FFBDLO CC(C)[C@@H](C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000473360271 515586684 /nfs/dbraw/zinc/58/66/84/515586684.db2.gz XQLVENIYLKHKLH-HSMVNMDESA-N 1 2 353.394 2.806 20 5 FFBDLO CC(C)(C)Oc1cccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)n1 ZINC000459513024 515610228 /nfs/dbraw/zinc/61/02/28/515610228.db2.gz QYALLFLTAIKLTR-UHFFFAOYSA-N 1 2 371.441 2.884 20 5 FFBDLO CN(C)c1noc([C@H]2CCC[N@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)n1 ZINC000510639239 515618010 /nfs/dbraw/zinc/61/80/10/515618010.db2.gz CWILFOAKGMJDDE-JTQLQIEISA-N 1 2 367.356 2.702 20 5 FFBDLO CN(C)c1noc([C@H]2CCC[N@@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)n1 ZINC000510639239 515618020 /nfs/dbraw/zinc/61/80/20/515618020.db2.gz CWILFOAKGMJDDE-JTQLQIEISA-N 1 2 367.356 2.702 20 5 FFBDLO Cc1cc(C[NH+]2CCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)on1 ZINC000473537175 515651168 /nfs/dbraw/zinc/65/11/68/515651168.db2.gz ZYQDJMTXKHQYQA-UHFFFAOYSA-N 1 2 353.382 2.762 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000511119762 515789923 /nfs/dbraw/zinc/78/99/23/515789923.db2.gz JXVFQYWPFLBPNL-SFHVURJKSA-N 1 2 369.421 2.534 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000511119762 515789933 /nfs/dbraw/zinc/78/99/33/515789933.db2.gz JXVFQYWPFLBPNL-SFHVURJKSA-N 1 2 369.421 2.534 20 5 FFBDLO C[NH+](C)Cc1csc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000457305754 515795250 /nfs/dbraw/zinc/79/52/50/515795250.db2.gz DPQGSEKKYKICNH-UHFFFAOYSA-N 1 2 359.411 2.775 20 5 FFBDLO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C)C(F)(F)C2)c([N+](=O)[O-])c1 ZINC000494285536 515795864 /nfs/dbraw/zinc/79/58/64/515795864.db2.gz QJLDDEDYZCNDNR-NSHDSACASA-N 1 2 357.357 2.909 20 5 FFBDLO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](C)C(F)(F)C2)c([N+](=O)[O-])c1 ZINC000494285536 515795867 /nfs/dbraw/zinc/79/58/67/515795867.db2.gz QJLDDEDYZCNDNR-NSHDSACASA-N 1 2 357.357 2.909 20 5 FFBDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccn(C)n1 ZINC000459777395 515800506 /nfs/dbraw/zinc/80/05/06/515800506.db2.gz DTOQWZSOEWPMGI-ZJUUUORDSA-N 1 2 351.794 2.660 20 5 FFBDLO Cc1cc(Cl)ccc1C[NH+]1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000511138339 515800793 /nfs/dbraw/zinc/80/07/93/515800793.db2.gz FMOJSEQHGWDXCY-UHFFFAOYSA-N 1 2 363.849 2.608 20 5 FFBDLO CSc1ccc(C(=O)N2CCN(c3c[nH+]ccc3C)CC2)cc1[N+](=O)[O-] ZINC000500669292 515809105 /nfs/dbraw/zinc/80/91/05/515809105.db2.gz UNAPYTVXWDHRGY-UHFFFAOYSA-N 1 2 372.450 2.983 20 5 FFBDLO COc1cc(C[NH2+][C@H](C)c2ccn(C)n2)c([N+](=O)[O-])cc1OCC(F)F ZINC000459802137 515816168 /nfs/dbraw/zinc/81/61/68/515816168.db2.gz YJZWIMXTLFLQIH-SNVBAGLBSA-N 1 2 370.356 2.832 20 5 FFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@@H](Cn2nc(C)nc2C)C1 ZINC000470173818 516161048 /nfs/dbraw/zinc/16/10/48/516161048.db2.gz GCMYUGLNWCICFO-BZPDREMPSA-N 1 2 371.441 2.607 20 5 FFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@@H](Cn2nc(C)nc2C)C1 ZINC000470173818 516161057 /nfs/dbraw/zinc/16/10/57/516161057.db2.gz GCMYUGLNWCICFO-BZPDREMPSA-N 1 2 371.441 2.607 20 5 FFBDLO Cc1ccc2c(c1)C[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CCO2 ZINC000512247161 516210735 /nfs/dbraw/zinc/21/07/35/516210735.db2.gz WXUKRRNDFGDJDW-UHFFFAOYSA-N 1 2 355.394 2.761 20 5 FFBDLO Cc1ccc2c(c1)C[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CCO2 ZINC000512247161 516210742 /nfs/dbraw/zinc/21/07/42/516210742.db2.gz WXUKRRNDFGDJDW-UHFFFAOYSA-N 1 2 355.394 2.761 20 5 FFBDLO CCOC(=O)CC1CC[NH+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000502219639 516319808 /nfs/dbraw/zinc/31/98/08/516319808.db2.gz ZZEUGCLWMIWKDP-UHFFFAOYSA-N 1 2 363.414 2.507 20 5 FFBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000550703676 516389119 /nfs/dbraw/zinc/38/91/19/516389119.db2.gz ZUPKLPCWCWTEKC-UHFFFAOYSA-N 1 2 353.176 2.661 20 5 FFBDLO Cn1cc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000518268306 516595182 /nfs/dbraw/zinc/59/51/82/516595182.db2.gz QTLNPPOEUKDJMV-UHFFFAOYSA-N 1 2 357.414 2.639 20 5 FFBDLO O=C(C[N@@H+]1CCC[C@@H]1c1cccnc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000561857593 516801058 /nfs/dbraw/zinc/80/10/58/516801058.db2.gz SUPSUPQBHVYILU-QGZVFWFLSA-N 1 2 352.394 2.716 20 5 FFBDLO O=C(C[N@H+]1CCC[C@@H]1c1cccnc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000561857593 516801061 /nfs/dbraw/zinc/80/10/61/516801061.db2.gz SUPSUPQBHVYILU-QGZVFWFLSA-N 1 2 352.394 2.716 20 5 FFBDLO CCc1cnc(N2CC[NH+](Cc3ccc(OC)c([N+](=O)[O-])c3)CC2)s1 ZINC000524755361 516816048 /nfs/dbraw/zinc/81/60/48/516816048.db2.gz BJWKKAQXPNBWKA-UHFFFAOYSA-N 1 2 362.455 2.945 20 5 FFBDLO COC(=O)c1cc(N2CCN(c3c[nH+]ccc3C)CC2)cc(C)c1[N+](=O)[O-] ZINC000541063686 516854833 /nfs/dbraw/zinc/85/48/33/516854833.db2.gz UNRFAMLFNNORGU-UHFFFAOYSA-N 1 2 370.409 2.720 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3nc4ccc(F)cc4o3)CC2)cn1 ZINC000532326498 516914047 /nfs/dbraw/zinc/91/40/47/516914047.db2.gz SLJWARIIHLZXJI-UHFFFAOYSA-N 1 2 357.345 2.592 20 5 FFBDLO COc1cc(C(=O)Nc2cc(C)[nH+]cc2C)c([N+](=O)[O-])cc1OC(F)F ZINC000551957845 516988393 /nfs/dbraw/zinc/98/83/93/516988393.db2.gz KDNXKUZVBVMMIY-UHFFFAOYSA-N 1 2 367.308 2.891 20 5 FFBDLO COc1cc(-c2nc(Cc3cn4ccccc4[nH+]3)no2)ccc1[N+](=O)[O-] ZINC000545016274 517022987 /nfs/dbraw/zinc/02/29/87/517022987.db2.gz GSHMRFSLVUDNHW-UHFFFAOYSA-N 1 2 351.322 2.892 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]Cc1ccc(CO)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000552046361 517049756 /nfs/dbraw/zinc/04/97/56/517049756.db2.gz FWNPMVUAVOMKSO-GOSISDBHSA-N 1 2 370.384 2.839 20 5 FFBDLO COc1ccc(-c2ccc(C[N@@H+]3CCN(C(C)=O)C[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000552076379 517067017 /nfs/dbraw/zinc/06/70/17/517067017.db2.gz KZKAIOFIWFHMPJ-CYBMUJFWSA-N 1 2 373.409 2.916 20 5 FFBDLO COc1ccc(-c2ccc(C[N@H+]3CCN(C(C)=O)C[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000552076379 517067027 /nfs/dbraw/zinc/06/70/27/517067027.db2.gz KZKAIOFIWFHMPJ-CYBMUJFWSA-N 1 2 373.409 2.916 20 5 FFBDLO Cc1cc(NCc2cccc(N(C)C)n2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000532853789 517166926 /nfs/dbraw/zinc/16/69/26/517166926.db2.gz AYUPGOMHLIVOCA-UHFFFAOYSA-N 1 2 364.409 2.855 20 5 FFBDLO O=C(NCCCCn1cc[nH+]c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000532861833 517172129 /nfs/dbraw/zinc/17/21/29/517172129.db2.gz COKPTUKJFMPPED-UHFFFAOYSA-N 1 2 357.414 2.946 20 5 FFBDLO CC[N@@H+]1CC[C@H](Nc2c([N+](=O)[O-])ncn2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542037831 517351858 /nfs/dbraw/zinc/35/18/58/517351858.db2.gz XIDLHWQBCALEPU-JSGCOSHPSA-N 1 2 369.347 2.993 20 5 FFBDLO CC[N@H+]1CC[C@H](Nc2c([N+](=O)[O-])ncn2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542037831 517351868 /nfs/dbraw/zinc/35/18/68/517351868.db2.gz XIDLHWQBCALEPU-JSGCOSHPSA-N 1 2 369.347 2.993 20 5 FFBDLO Cc1cc(C[C@@H](C)[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000520439423 517393842 /nfs/dbraw/zinc/39/38/42/517393842.db2.gz UVUDXQXYXGFWSQ-SJKOYZFVSA-N 1 2 354.414 2.670 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000559762876 517417859 /nfs/dbraw/zinc/41/78/59/517417859.db2.gz OIZFSDYVTNLSRH-GFCCVEGCSA-N 1 2 362.386 2.850 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000559762876 517417867 /nfs/dbraw/zinc/41/78/67/517417867.db2.gz OIZFSDYVTNLSRH-GFCCVEGCSA-N 1 2 362.386 2.850 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000559762876 517417872 /nfs/dbraw/zinc/41/78/72/517417872.db2.gz OIZFSDYVTNLSRH-GFCCVEGCSA-N 1 2 362.386 2.850 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000559762876 517417878 /nfs/dbraw/zinc/41/78/78/517417878.db2.gz OIZFSDYVTNLSRH-GFCCVEGCSA-N 1 2 362.386 2.850 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000520713816 517487289 /nfs/dbraw/zinc/48/72/89/517487289.db2.gz JJLVHTWIGFOMTD-IBGZPJMESA-N 1 2 369.421 2.707 20 5 FFBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000515888056 517504605 /nfs/dbraw/zinc/50/46/05/517504605.db2.gz DHOHANRROSUBPE-YPMHNXCESA-N 1 2 359.348 2.913 20 5 FFBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])cnc2N)c[nH+]c1N1CCCC[C@H]1C ZINC000546131735 517560728 /nfs/dbraw/zinc/56/07/28/517560728.db2.gz HOZARTXZJMLUJR-GFCCVEGCSA-N 1 2 370.413 2.907 20 5 FFBDLO Cc1cncc(N(Cc2[nH]cc[nH+]2)C(=O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC000549695397 517662496 /nfs/dbraw/zinc/66/24/96/517662496.db2.gz ZRHOZXODMSQTDK-UHFFFAOYSA-N 1 2 367.365 2.634 20 5 FFBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)CCC2 ZINC000533914849 517666915 /nfs/dbraw/zinc/66/69/15/517666915.db2.gz OCVHLUKOKFUDGQ-OAHLLOKOSA-N 1 2 357.414 2.519 20 5 FFBDLO Nc1c(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cc(F)cc1[N+](=O)[O-] ZINC000516437058 517690529 /nfs/dbraw/zinc/69/05/29/517690529.db2.gz SAUDYZKBMZVPBD-UHFFFAOYSA-N 1 2 363.736 2.547 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000542743764 517712160 /nfs/dbraw/zinc/71/21/60/517712160.db2.gz HSMPQOFQJHEMQO-CYBMUJFWSA-N 1 2 364.427 2.503 20 5 FFBDLO CC(C)c1n[nH]c(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000556857953 517713528 /nfs/dbraw/zinc/71/35/28/517713528.db2.gz IRKGIXYHHQKIGY-JOCQHMNTSA-N 1 2 372.429 2.989 20 5 FFBDLO COC(=O)C[C@@](C)([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000549998220 517818320 /nfs/dbraw/zinc/81/83/20/517818320.db2.gz UWOKWDVRFYCVSG-LJQANCHMSA-N 1 2 374.393 2.877 20 5 FFBDLO COc1ccc(NC(=O)NCc2cn3ccc(C)cc3[nH+]2)cc1[N+](=O)[O-] ZINC000542958379 517838563 /nfs/dbraw/zinc/83/85/63/517838563.db2.gz BGCPCBJCLYDJIT-UHFFFAOYSA-N 1 2 355.354 2.881 20 5 FFBDLO CNc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc1[N+](=O)[O-] ZINC000521770120 517850995 /nfs/dbraw/zinc/85/09/95/517850995.db2.gz TXXGGCNUJHAQQC-IUODEOHRSA-N 1 2 359.386 2.612 20 5 FFBDLO CNc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc1[N+](=O)[O-] ZINC000521770120 517851004 /nfs/dbraw/zinc/85/10/04/517851004.db2.gz TXXGGCNUJHAQQC-IUODEOHRSA-N 1 2 359.386 2.612 20 5 FFBDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000534460025 517903153 /nfs/dbraw/zinc/90/31/53/517903153.db2.gz ZRMINXUGIXASKG-AWEZNQCLSA-N 1 2 367.409 2.896 20 5 FFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000563499447 517938797 /nfs/dbraw/zinc/93/87/97/517938797.db2.gz FQVZJCNBEXRKCH-LJQANCHMSA-N 1 2 360.385 2.867 20 5 FFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000563499447 517938805 /nfs/dbraw/zinc/93/88/05/517938805.db2.gz FQVZJCNBEXRKCH-LJQANCHMSA-N 1 2 360.385 2.867 20 5 FFBDLO CC(F)(F)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000581382912 518258100 /nfs/dbraw/zinc/25/81/00/518258100.db2.gz KSWSIGUIKNJRSC-UHFFFAOYSA-N 1 2 356.110 2.944 20 5 FFBDLO O=[N+]([O-])c1ccc(NCCCCn2cc[nH+]c2)c(F)c1N1CCOCC1 ZINC000573221094 518563413 /nfs/dbraw/zinc/56/34/13/518563413.db2.gz ZXBOFWIAQHDWDX-UHFFFAOYSA-N 1 2 363.393 2.659 20 5 FFBDLO C[C@@H](C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000564717122 518580417 /nfs/dbraw/zinc/58/04/17/518580417.db2.gz BPESQRCUFLJDIU-HZPDHXFCSA-N 1 2 368.437 2.999 20 5 FFBDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000582158760 518615248 /nfs/dbraw/zinc/61/52/48/518615248.db2.gz HQHBXGXCTIWLMV-CYBMUJFWSA-N 1 2 372.425 2.648 20 5 FFBDLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000587045359 518674878 /nfs/dbraw/zinc/67/48/78/518674878.db2.gz NKFNUSOYKCCAFS-CQSZACIVSA-N 1 2 363.377 2.598 20 5 FFBDLO CCc1ccc(S(=O)(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)cc1[N+](=O)[O-] ZINC000567774364 518704151 /nfs/dbraw/zinc/70/41/51/518704151.db2.gz IBTWQZOCUVCAEH-AWEZNQCLSA-N 1 2 352.416 2.556 20 5 FFBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000588070205 518716210 /nfs/dbraw/zinc/71/62/10/518716210.db2.gz OTSCITNNZNOORT-AAEUAGOBSA-N 1 2 370.247 2.657 20 5 FFBDLO O=C(NCc1noc2c1CCCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000570715097 518746113 /nfs/dbraw/zinc/74/61/13/518746113.db2.gz LEUIWAPFQJTERE-UHFFFAOYSA-N 1 2 367.365 2.577 20 5 FFBDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000582613630 518839294 /nfs/dbraw/zinc/83/92/94/518839294.db2.gz DGBXOTHZMQNCAI-CYBMUJFWSA-N 1 2 358.398 2.567 20 5 FFBDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000582613630 518839300 /nfs/dbraw/zinc/83/93/00/518839300.db2.gz DGBXOTHZMQNCAI-CYBMUJFWSA-N 1 2 358.398 2.567 20 5 FFBDLO COCC[N@H+](Cc1ccc(C)o1)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589503572 519019953 /nfs/dbraw/zinc/01/99/53/519019953.db2.gz WFVIFOOPKPOEEZ-UHFFFAOYSA-N 1 2 362.382 2.931 20 5 FFBDLO COCC[N@@H+](Cc1ccc(C)o1)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589503572 519019961 /nfs/dbraw/zinc/01/99/61/519019961.db2.gz WFVIFOOPKPOEEZ-UHFFFAOYSA-N 1 2 362.382 2.931 20 5 FFBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC3(CCC3)[C@H]1[C@H]1CCCO1)OCCO2 ZINC000589521193 519023603 /nfs/dbraw/zinc/02/36/03/519023603.db2.gz JWCIETNCYCOTHX-CRAIPNDOSA-N 1 2 360.410 2.900 20 5 FFBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC3(CCC3)[C@H]1[C@H]1CCCO1)OCCO2 ZINC000589521193 519023613 /nfs/dbraw/zinc/02/36/13/519023613.db2.gz JWCIETNCYCOTHX-CRAIPNDOSA-N 1 2 360.410 2.900 20 5 FFBDLO O=C1N=NCN1C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000574288454 519082108 /nfs/dbraw/zinc/08/21/08/519082108.db2.gz NURPYIGRENYKTI-UHFFFAOYSA-N 1 2 371.319 2.748 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)CO ZINC000590656242 519303816 /nfs/dbraw/zinc/30/38/16/519303816.db2.gz 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Cc1cn2c([nH+]1)CN(c1ncc([N+](=O)[O-])c(C)c1Br)CC2 ZINC000612450067 519966569 /nfs/dbraw/zinc/96/65/69/519966569.db2.gz UWUPIDQWDNGJFT-UHFFFAOYSA-N 1 2 352.192 2.586 20 5 FFBDLO CC[C@]1(O)CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000602983252 520005393 /nfs/dbraw/zinc/00/53/93/520005393.db2.gz GHHPQWOTXLZJQV-BZNIZROVSA-N 1 2 355.822 2.812 20 5 FFBDLO CC[C@]1(O)CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000602983252 520005403 /nfs/dbraw/zinc/00/54/03/520005403.db2.gz GHHPQWOTXLZJQV-BZNIZROVSA-N 1 2 355.822 2.812 20 5 FFBDLO C[C@@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000594508751 520009022 /nfs/dbraw/zinc/00/90/22/520009022.db2.gz BXYDYPBXSTWJEN-BBRMVZONSA-N 1 2 374.441 2.985 20 5 FFBDLO CN(C)c1ccc2cc(NC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)ccc2[nH+]1 ZINC000608806788 520134944 /nfs/dbraw/zinc/13/49/44/520134944.db2.gz ZSYCYOFPCNXUKC-UHFFFAOYSA-N 1 2 368.397 2.779 20 5 FFBDLO CCOc1cc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])cc1OC ZINC000609025681 520180956 /nfs/dbraw/zinc/18/09/56/520180956.db2.gz XLNALWZVWDJKGD-GFCCVEGCSA-N 1 2 374.397 2.745 20 5 FFBDLO CC1(C)CC(=O)CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000600305385 520194308 /nfs/dbraw/zinc/19/43/08/520194308.db2.gz UGASCIPZUUIFGF-UHFFFAOYSA-N 1 2 356.382 2.612 20 5 FFBDLO Cc1noc(C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)c1[N+](=O)[O-] ZINC000595299689 520394104 /nfs/dbraw/zinc/39/41/04/520394104.db2.gz YTFVYJWORIDYBT-UHFFFAOYSA-N 1 2 350.419 2.506 20 5 FFBDLO Cc1noc(C[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)c1[N+](=O)[O-] ZINC000595299689 520394108 /nfs/dbraw/zinc/39/41/08/520394108.db2.gz YTFVYJWORIDYBT-UHFFFAOYSA-N 1 2 350.419 2.506 20 5 FFBDLO COc1ccc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000609657258 520396161 /nfs/dbraw/zinc/39/61/61/520396161.db2.gz WFKVSJCBIAGNOV-UHFFFAOYSA-N 1 2 352.350 2.719 20 5 FFBDLO COc1ccc(C[N@H+](CCO)Cc2ccc(F)cc2[N+](=O)[O-])c(OC)c1 ZINC000595317073 520406040 /nfs/dbraw/zinc/40/60/40/520406040.db2.gz MQDJQOALQDOFDB-UHFFFAOYSA-N 1 2 364.373 2.746 20 5 FFBDLO COc1ccc(C[N@@H+](CCO)Cc2ccc(F)cc2[N+](=O)[O-])c(OC)c1 ZINC000595317073 520406043 /nfs/dbraw/zinc/40/60/43/520406043.db2.gz MQDJQOALQDOFDB-UHFFFAOYSA-N 1 2 364.373 2.746 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000617353077 520448636 /nfs/dbraw/zinc/44/86/36/520448636.db2.gz XOBRYOJHJCYIFG-UHFFFAOYSA-N 1 2 354.366 2.532 20 5 FFBDLO Cc1noc(C[N@@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)c1[N+](=O)[O-] ZINC000595409834 520451650 /nfs/dbraw/zinc/45/16/50/520451650.db2.gz JFFCVWBOGSQBME-NSHDSACASA-N 1 2 372.303 2.958 20 5 FFBDLO Cc1noc(C[N@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)c1[N+](=O)[O-] ZINC000595409834 520451657 /nfs/dbraw/zinc/45/16/57/520451657.db2.gz JFFCVWBOGSQBME-NSHDSACASA-N 1 2 372.303 2.958 20 5 FFBDLO COC(=O)c1cc(-c2ccc(N3CCSCC3)[nH+]c2)cc([N+](=O)[O-])c1 ZINC000600787703 520469311 /nfs/dbraw/zinc/46/93/11/520469311.db2.gz DTWILTIILCEREW-UHFFFAOYSA-N 1 2 359.407 2.997 20 5 FFBDLO CC(C)[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccccn1 ZINC000604292240 520506902 /nfs/dbraw/zinc/50/69/02/520506902.db2.gz PEMHZQVFBQMGAH-UHFFFAOYSA-N 1 2 354.410 2.790 20 5 FFBDLO CC(C)[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccccn1 ZINC000604292240 520506906 /nfs/dbraw/zinc/50/69/06/520506906.db2.gz PEMHZQVFBQMGAH-UHFFFAOYSA-N 1 2 354.410 2.790 20 5 FFBDLO O=C(NCc1cn2ccccc2[nH+]1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600945981 520551101 /nfs/dbraw/zinc/55/11/01/520551101.db2.gz LCFJKWPEOIXYIU-UHFFFAOYSA-N 1 2 350.378 2.981 20 5 FFBDLO CCc1cc(NC[C@@H]2CCCC[C@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000610132501 520552490 /nfs/dbraw/zinc/55/24/90/520552490.db2.gz MFDPDCRPCYWPMD-WMLDXEAASA-N 1 2 356.426 2.999 20 5 FFBDLO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCc1ccc[nH+]c1N(C)C ZINC000610129383 520552713 /nfs/dbraw/zinc/55/27/13/520552713.db2.gz QBDADUFUMLLNGF-UHFFFAOYSA-N 1 2 362.361 2.984 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000604567327 520607753 /nfs/dbraw/zinc/60/77/53/520607753.db2.gz KROVGZGDLSWCLH-UHFFFAOYSA-N 1 2 355.394 2.988 20 5 FFBDLO CC(C)NC(=O)c1ccc(N2CCC[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000610276343 520617281 /nfs/dbraw/zinc/61/72/81/520617281.db2.gz NQBONHYWGVCSHJ-HNNXBMFYSA-N 1 2 357.414 2.771 20 5 FFBDLO COC(=O)[C@H](c1cccc(OC)c1)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000595674997 520639338 /nfs/dbraw/zinc/63/93/38/520639338.db2.gz AUZAJCRBPWPKEY-SFHVURJKSA-N 1 2 374.393 2.828 20 5 FFBDLO COC(=O)[C@H](c1cccc(OC)c1)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000595674997 520639348 /nfs/dbraw/zinc/63/93/48/520639348.db2.gz AUZAJCRBPWPKEY-SFHVURJKSA-N 1 2 374.393 2.828 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H]2c2cn(C)nc2C)c1 ZINC000593014651 520684866 /nfs/dbraw/zinc/68/48/66/520684866.db2.gz BQVSTHKVTYQYLW-KRWDZBQOSA-N 1 2 358.398 2.760 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H]2c2cn(C)nc2C)c1 ZINC000593014651 520684873 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355.354 2.680 20 5 FFBDLO COCCCNC(=O)C1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599025575 520988859 /nfs/dbraw/zinc/98/88/59/520988859.db2.gz DAKSGPAKJLEEMQ-UHFFFAOYSA-N 1 2 372.425 2.512 20 5 FFBDLO CC(C)(C)OC(=O)[C@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCO1 ZINC000599056689 521005468 /nfs/dbraw/zinc/00/54/68/521005468.db2.gz YYOQIIYROGOYHT-OAHLLOKOSA-N 1 2 359.382 2.690 20 5 FFBDLO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C(c1nccn1C)c1nccn1C ZINC000599062158 521007276 /nfs/dbraw/zinc/00/72/76/521007276.db2.gz JPVIBKUHTFQJAE-AWEZNQCLSA-N 1 2 368.441 2.762 20 5 FFBDLO COCCOC1(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCOCC1 ZINC000599083153 521021324 /nfs/dbraw/zinc/02/13/24/521021324.db2.gz JHZCYKMXNGUYFT-UHFFFAOYSA-N 1 2 361.398 2.767 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000611196862 521032577 /nfs/dbraw/zinc/03/25/77/521032577.db2.gz WYBOYPUOIOGYKT-SFHVURJKSA-N 1 2 366.377 2.613 20 5 FFBDLO O=C1[C@@H]([NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCN1C1CCCCC1 ZINC000599265433 521116685 /nfs/dbraw/zinc/11/66/85/521116685.db2.gz UTYUADZFWYCAJN-IBGZPJMESA-N 1 2 372.469 2.650 20 5 FFBDLO C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000611408065 521140578 /nfs/dbraw/zinc/14/05/78/521140578.db2.gz IQBNKLZUZMLWAH-RDTXWAMCSA-N 1 2 354.410 2.832 20 5 FFBDLO C[C@@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000611408065 521140585 /nfs/dbraw/zinc/14/05/85/521140585.db2.gz IQBNKLZUZMLWAH-RDTXWAMCSA-N 1 2 354.410 2.832 20 5 FFBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CC(N3CC[C@@H](O)C3)C2)s1 ZINC000593680122 521151338 /nfs/dbraw/zinc/15/13/38/521151338.db2.gz PTFAPYVDGQBLDM-CQSZACIVSA-N 1 2 359.451 2.574 20 5 FFBDLO Cn1ncc2c1CC(C)(C)C[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 ZINC000596597590 521155272 /nfs/dbraw/zinc/15/52/72/521155272.db2.gz COQOLTGGJFGCCS-UHFFFAOYSA-N 1 2 354.414 2.789 20 5 FFBDLO Cn1ncc2c1CC(C)(C)C[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 ZINC000596597590 521155276 /nfs/dbraw/zinc/15/52/76/521155276.db2.gz COQOLTGGJFGCCS-UHFFFAOYSA-N 1 2 354.414 2.789 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596599445 521157672 /nfs/dbraw/zinc/15/76/72/521157672.db2.gz UTFKBSJCBFXOCX-LBPRGKRZSA-N 1 2 357.414 2.729 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596599445 521157677 /nfs/dbraw/zinc/15/76/77/521157677.db2.gz UTFKBSJCBFXOCX-LBPRGKRZSA-N 1 2 357.414 2.729 20 5 FFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+](Cc1ccccc1)[C@]1(CO)CCOC1 ZINC000599396744 521198480 /nfs/dbraw/zinc/19/84/80/521198480.db2.gz ZTNSWOAZPNKIMO-IBGZPJMESA-N 1 2 360.385 2.888 20 5 FFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+](Cc1ccccc1)[C@]1(CO)CCOC1 ZINC000599396744 521198485 /nfs/dbraw/zinc/19/84/85/521198485.db2.gz ZTNSWOAZPNKIMO-IBGZPJMESA-N 1 2 360.385 2.888 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000599512226 521268823 /nfs/dbraw/zinc/26/88/23/521268823.db2.gz GDXHHYDTJCFCRA-PHIMTYICSA-N 1 2 357.357 2.765 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000599512226 521268832 /nfs/dbraw/zinc/26/88/32/521268832.db2.gz GDXHHYDTJCFCRA-PHIMTYICSA-N 1 2 357.357 2.765 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@@H]([NH+]4CCOCC4)C3)co2)cc1 ZINC000593996033 521337190 /nfs/dbraw/zinc/33/71/90/521337190.db2.gz HOUQCZUHAAQMQR-GOSISDBHSA-N 1 2 372.425 2.546 20 5 FFBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594099511 521402664 /nfs/dbraw/zinc/40/26/64/521402664.db2.gz QRNDATRPYZKLEV-RWMBFGLXSA-N 1 2 369.849 2.784 20 5 FFBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594099511 521402666 /nfs/dbraw/zinc/40/26/66/521402666.db2.gz QRNDATRPYZKLEV-RWMBFGLXSA-N 1 2 369.849 2.784 20 5 FFBDLO O=C(CC[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1)Nc1ccccc1F ZINC000615787480 521531013 /nfs/dbraw/zinc/53/10/13/521531013.db2.gz IRKKVNZVXXQPGL-UHFFFAOYSA-N 1 2 359.357 2.826 20 5 FFBDLO CCC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@@H](C)C(=O)Nc1ccccc1C ZINC000602820656 521551188 /nfs/dbraw/zinc/55/11/88/521551188.db2.gz IVKDQEXDWXIFJF-AWEZNQCLSA-N 1 2 359.430 2.876 20 5 FFBDLO CCC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@@H](C)C(=O)Nc1ccccc1C ZINC000602820656 521551193 /nfs/dbraw/zinc/55/11/93/521551193.db2.gz IVKDQEXDWXIFJF-AWEZNQCLSA-N 1 2 359.430 2.876 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000615994443 521596416 /nfs/dbraw/zinc/59/64/16/521596416.db2.gz FIKSCXXVOJMFSY-FCEWJHQRSA-N 1 2 361.442 2.797 20 5 FFBDLO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC000823639959 599457646 /nfs/dbraw/zinc/45/76/46/599457646.db2.gz NMSXIMBSQCFOOZ-UHFFFAOYSA-N 1 2 362.752 2.857 20 5 FFBDLO O=C(NCc1ccc(Cl)nc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000071974554 728209801 /nfs/dbraw/zinc/20/98/01/728209801.db2.gz SYIXNFKPFSDOGV-UHFFFAOYSA-N 1 2 357.757 2.759 20 5 FFBDLO CC[N@H+](CCc1nccs1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000134073839 728728594 /nfs/dbraw/zinc/72/85/94/728728594.db2.gz KERHSJSFOKKICJ-UHFFFAOYSA-N 1 2 360.237 2.532 20 5 FFBDLO CC[N@@H+](CCc1nccs1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000134073839 728728595 /nfs/dbraw/zinc/72/85/95/728728595.db2.gz KERHSJSFOKKICJ-UHFFFAOYSA-N 1 2 360.237 2.532 20 5 FFBDLO CCS[C@H]1CC[C@@H]([N@H+](C)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000173486614 729048483 /nfs/dbraw/zinc/04/84/83/729048483.db2.gz VEIPWTXIVKNYSG-NEPJUHHUSA-N 1 2 363.439 2.754 20 5 FFBDLO CCS[C@H]1CC[C@@H]([N@@H+](C)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000173486614 729048486 /nfs/dbraw/zinc/04/84/86/729048486.db2.gz VEIPWTXIVKNYSG-NEPJUHHUSA-N 1 2 363.439 2.754 20 5 FFBDLO Cc1cc(Cl)c(S(=O)(=O)N2CCc3c[nH+]ccc32)cc1[N+](=O)[O-] ZINC000176739286 729119276 /nfs/dbraw/zinc/11/92/76/729119276.db2.gz CVMCVAHJYSVKOP-UHFFFAOYSA-N 1 2 353.787 2.703 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@H](O)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000780765018 738575062 /nfs/dbraw/zinc/57/50/62/738575062.db2.gz USFXJNRKZULLJW-JKSUJKDBSA-N 1 2 358.423 2.802 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000877569370 732390235 /nfs/dbraw/zinc/39/02/35/732390235.db2.gz OBBYAUWJXYUKDN-QGZVFWFLSA-N 1 2 352.456 2.612 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000877569370 732390241 /nfs/dbraw/zinc/39/02/41/732390241.db2.gz OBBYAUWJXYUKDN-QGZVFWFLSA-N 1 2 352.456 2.612 20 5 FFBDLO COC[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000879664486 732746946 /nfs/dbraw/zinc/74/69/46/732746946.db2.gz YRHDEJPSQVCSQD-ZDUSSCGKSA-N 1 2 369.219 2.568 20 5 FFBDLO C[NH+](C)Cc1csc(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)n1 ZINC000927763482 738779289 /nfs/dbraw/zinc/77/92/89/738779289.db2.gz GIHVJOMJNZEBHY-LSDHHAIUSA-N 1 2 360.439 2.533 20 5 FFBDLO COCCO[C@H]1CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000783715947 738828330 /nfs/dbraw/zinc/82/83/30/738828330.db2.gz ZAFHBQYYENYZBC-NSHDSACASA-N 1 2 359.220 2.595 20 5 FFBDLO COCCO[C@H]1CC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000783715947 738828333 /nfs/dbraw/zinc/82/83/33/738828333.db2.gz ZAFHBQYYENYZBC-NSHDSACASA-N 1 2 359.220 2.595 20 5 FFBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nc(Br)nn2C)cc1[N+](=O)[O-] ZINC000894316604 734835898 /nfs/dbraw/zinc/83/58/98/734835898.db2.gz MQYSFHAVRYMJPY-SECBINFHSA-N 1 2 354.208 2.645 20 5 FFBDLO COc1cc(C[N@@H+]2CC[C@](OC)(C(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000895577576 735026685 /nfs/dbraw/zinc/02/66/85/735026685.db2.gz NRKNGHIASTVMPM-CQSZACIVSA-N 1 2 364.320 2.765 20 5 FFBDLO COc1cc(C[N@H+]2CC[C@](OC)(C(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000895577576 735026687 /nfs/dbraw/zinc/02/66/87/735026687.db2.gz NRKNGHIASTVMPM-CQSZACIVSA-N 1 2 364.320 2.765 20 5 FFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@@](CO)(C(F)(F)F)C2)c1 ZINC000895846996 735063744 /nfs/dbraw/zinc/06/37/44/735063744.db2.gz SWVRSVBVGCGGAO-CYBMUJFWSA-N 1 2 370.274 2.943 20 5 FFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)c1 ZINC000895846996 735063748 /nfs/dbraw/zinc/06/37/48/735063748.db2.gz SWVRSVBVGCGGAO-CYBMUJFWSA-N 1 2 370.274 2.943 20 5 FFBDLO COc1cc([C@H](C)[NH2+]Cc2ccccc2S(C)(=O)=O)cc([N+](=O)[O-])c1 ZINC000903186151 736051104 /nfs/dbraw/zinc/05/11/04/736051104.db2.gz NXKOKADERWIYCZ-LBPRGKRZSA-N 1 2 364.423 2.858 20 5 FFBDLO CC(C)(CNC(=O)c1c(Br)cccc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000912613786 737324165 /nfs/dbraw/zinc/32/41/65/737324165.db2.gz BRPIRWSINRLYGR-UHFFFAOYSA-N 1 2 367.203 2.719 20 5 FFBDLO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000775876955 738134549 /nfs/dbraw/zinc/13/45/49/738134549.db2.gz NHMLIMWQAPCWGP-KBPBESRZSA-N 1 2 356.806 2.791 20 5 FFBDLO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000775876955 738134551 /nfs/dbraw/zinc/13/45/51/738134551.db2.gz NHMLIMWQAPCWGP-KBPBESRZSA-N 1 2 356.806 2.791 20 5 FFBDLO O=[N+]([O-])c1ccc(Br)c(C[NH+]2CCC3(CC2)OCCO3)c1 ZINC000929269359 738962978 /nfs/dbraw/zinc/96/29/78/738962978.db2.gz KYKWBELCEOLQQE-UHFFFAOYSA-N 1 2 357.204 2.696 20 5 FFBDLO CO[C@@H]1COCC[C@H]1[N@H+](C)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000931698150 739313328 /nfs/dbraw/zinc/31/33/28/739313328.db2.gz KKJNCRDELBQNLJ-ZIAGYGMSSA-N 1 2 359.220 2.593 20 5 FFBDLO CO[C@@H]1COCC[C@H]1[N@@H+](C)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000931698150 739313332 /nfs/dbraw/zinc/31/33/32/739313332.db2.gz KKJNCRDELBQNLJ-ZIAGYGMSSA-N 1 2 359.220 2.593 20 5 FFBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2c2cncc(Br)c2)c1 ZINC000932251064 739415857 /nfs/dbraw/zinc/41/58/57/739415857.db2.gz JENNBARVOZRTPG-AWEZNQCLSA-N 1 2 366.219 2.786 20 5 FFBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]2c2cncc(Br)c2)c1 ZINC000932251064 739415861 /nfs/dbraw/zinc/41/58/61/739415861.db2.gz JENNBARVOZRTPG-AWEZNQCLSA-N 1 2 366.219 2.786 20 5 FFBDLO Cc1cn(C[N@H+]2CCSCC[C@@H]2C)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000790476898 739460198 /nfs/dbraw/zinc/46/01/98/739460198.db2.gz HTPHREIXCAMQDK-ZDUSSCGKSA-N 1 2 362.455 2.641 20 5 FFBDLO Cc1cn(C[N@@H+]2CCSCC[C@@H]2C)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000790476898 739460202 /nfs/dbraw/zinc/46/02/02/739460202.db2.gz HTPHREIXCAMQDK-ZDUSSCGKSA-N 1 2 362.455 2.641 20 5 FFBDLO COc1ccc(CSCC(=O)OCc2cc[nH+]c(N)c2)cc1[N+](=O)[O-] ZINC000791692780 739593292 /nfs/dbraw/zinc/59/32/92/739593292.db2.gz BFDIZRVRIOHDLG-UHFFFAOYSA-N 1 2 363.395 2.557 20 5 FFBDLO Cn1c[nH+]cc1CCOC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000793238907 739756703 /nfs/dbraw/zinc/75/67/03/739756703.db2.gz RVZYKCKKTVFTIF-UHFFFAOYSA-N 1 2 358.379 2.851 20 5 FFBDLO COc1ccc(C[N@@H+]2CCOC[C@@H]2CC2CCOCC2)cc1[N+](=O)[O-] ZINC000934641752 739817840 /nfs/dbraw/zinc/81/78/40/739817840.db2.gz KPYCZZFSAAKHEC-INIZCTEOSA-N 1 2 350.415 2.621 20 5 FFBDLO COc1ccc(C[N@H+]2CCOC[C@@H]2CC2CCOCC2)cc1[N+](=O)[O-] ZINC000934641752 739817848 /nfs/dbraw/zinc/81/78/48/739817848.db2.gz KPYCZZFSAAKHEC-INIZCTEOSA-N 1 2 350.415 2.621 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCc3c[nH+]ccc32)c1 ZINC000798227090 740314485 /nfs/dbraw/zinc/31/44/85/740314485.db2.gz JJSFBZCDEFQECU-UHFFFAOYSA-N 1 2 357.750 2.534 20 5 FFBDLO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801558867 740630514 /nfs/dbraw/zinc/63/05/14/740630514.db2.gz XGXRQMUEUZOBTN-UHFFFAOYSA-N 1 2 351.403 2.934 20 5 FFBDLO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801558867 740630518 /nfs/dbraw/zinc/63/05/18/740630518.db2.gz XGXRQMUEUZOBTN-UHFFFAOYSA-N 1 2 351.403 2.934 20 5 FFBDLO O=C(O[C@H]1CC[N@H+](CCF)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000802236640 740688362 /nfs/dbraw/zinc/68/83/62/740688362.db2.gz NYMFMNYRVVQZCO-JTQLQIEISA-N 1 2 350.268 2.814 20 5 FFBDLO O=C(O[C@H]1CC[N@@H+](CCF)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000802236640 740688369 /nfs/dbraw/zinc/68/83/69/740688369.db2.gz NYMFMNYRVVQZCO-JTQLQIEISA-N 1 2 350.268 2.814 20 5 FFBDLO COc1cc([N+](=O)[O-])c(C(=O)O[C@@H]2CC[N@H+](CCF)C2)cc1SC ZINC000802236287 740688457 /nfs/dbraw/zinc/68/84/57/740688457.db2.gz XPNWUVDOMXMMFJ-SNVBAGLBSA-N 1 2 358.391 2.526 20 5 FFBDLO COc1cc([N+](=O)[O-])c(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)cc1SC ZINC000802236287 740688460 /nfs/dbraw/zinc/68/84/60/740688460.db2.gz XPNWUVDOMXMMFJ-SNVBAGLBSA-N 1 2 358.391 2.526 20 5 FFBDLO O=C1NCC2(CC[NH+](Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC2)O1 ZINC000809986027 741369704 /nfs/dbraw/zinc/36/97/04/741369704.db2.gz WGHLFDSKMYZCMA-UHFFFAOYSA-N 1 2 360.197 2.976 20 5 FFBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813526907 741731193 /nfs/dbraw/zinc/73/11/93/741731193.db2.gz VDBGQYXGWBSSQK-SECBINFHSA-N 1 2 355.181 2.843 20 5 FFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)ccc1Br ZINC000822504511 742745639 /nfs/dbraw/zinc/74/56/39/742745639.db2.gz SEKZYGLSXDQXTB-GFCCVEGCSA-N 1 2 366.219 2.786 20 5 FFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](n3ccnn3)C2)ccc1Br ZINC000822504511 742745640 /nfs/dbraw/zinc/74/56/40/742745640.db2.gz SEKZYGLSXDQXTB-GFCCVEGCSA-N 1 2 366.219 2.786 20 5 FFBDLO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2cc(Cl)ccc2F)CC1 ZINC001045436090 743274119 /nfs/dbraw/zinc/27/41/19/743274119.db2.gz 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/nfs/dbraw/zinc/36/49/54/1012364954.db2.gz WGPOUDXQWAARRW-KBPBESRZSA-N 1 2 372.425 2.976 20 5 FFBDLO COC(=O)[C@](C)(Cc1ccc(O)cc1)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173214623 1012369906 /nfs/dbraw/zinc/36/99/06/1012369906.db2.gz CYEPMRPLXIRWPJ-XOBRGWDASA-N 1 2 372.421 2.995 20 5 FFBDLO Cc1c(CC(=O)N2CCC(Nc3cccc[nH+]3)CC2)cccc1[N+](=O)[O-] ZINC000927086780 1018353975 /nfs/dbraw/zinc/35/39/75/1018353975.db2.gz ITXPLUAUXBFTSF-UHFFFAOYSA-N 1 2 354.410 2.944 20 5 FFBDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000800499154 1020359390 /nfs/dbraw/zinc/35/93/90/1020359390.db2.gz CYSHXUFTEIBJIO-KXBFYZLASA-N 1 2 371.437 2.780 20 5 FFBDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000800499154 1020359397 /nfs/dbraw/zinc/35/93/97/1020359397.db2.gz CYSHXUFTEIBJIO-KXBFYZLASA-N 1 2 371.437 2.780 20 5 FFBDLO Cc1cc(-c2nnn(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)n2)ccc1F ZINC000800866250 1020609848 /nfs/dbraw/zinc/60/98/48/1020609848.db2.gz CRKQKUSKHATEFL-UHFFFAOYSA-N 1 2 370.388 2.828 20 5 FFBDLO Cc1cc(-c2nnn(C[N@@H+](C)CCc3cccc([N+](=O)[O-])c3)n2)ccc1F ZINC000800866250 1020609854 /nfs/dbraw/zinc/60/98/54/1020609854.db2.gz CRKQKUSKHATEFL-UHFFFAOYSA-N 1 2 370.388 2.828 20 5 FFBDLO COc1cc(C[NH+]2CCC(N3CCCOC3=O)CC2)c([N+](=O)[O-])cc1F ZINC000933618629 1021047277 /nfs/dbraw/zinc/04/72/77/1021047277.db2.gz RGVUAZCBHNYRLR-UHFFFAOYSA-N 1 2 367.377 2.549 20 5 FFBDLO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000935059510 1021548933 /nfs/dbraw/zinc/54/89/33/1021548933.db2.gz CJORHSHQLASWSG-ZDUSSCGKSA-N 1 2 374.828 2.971 20 5 FFBDLO COc1cc(C[N@@H+]2CCCN(C(=O)OCC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000778942690 1022554993 /nfs/dbraw/zinc/55/49/93/1022554993.db2.gz PIUFNCBUGIWXCS-UHFFFAOYSA-N 1 2 365.430 2.904 20 5 FFBDLO COc1cc(C[N@H+]2CCCN(C(=O)OCC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000778942690 1022554998 /nfs/dbraw/zinc/55/49/98/1022554998.db2.gz PIUFNCBUGIWXCS-UHFFFAOYSA-N 1 2 365.430 2.904 20 5 FFBDLO Cc1noc(C)c1CCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000753665042 1023365266 /nfs/dbraw/zinc/36/52/66/1023365266.db2.gz SGTRGRNCHKSTNY-UHFFFAOYSA-N 1 2 369.381 2.748 20 5 FFBDLO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000758080454 1023919261 /nfs/dbraw/zinc/91/92/61/1023919261.db2.gz WSTVEYWIWSTGKH-UHFFFAOYSA-N 1 2 356.313 2.859 20 5 FFBDLO CCn1c(C[NH+]2CCCCC2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001121795835 1024031616 /nfs/dbraw/zinc/03/16/16/1024031616.db2.gz SQTHHKQXZCZZPJ-UHFFFAOYSA-N 1 2 370.457 2.755 20 5 FFBDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000759150210 1024494157 /nfs/dbraw/zinc/49/41/57/1024494157.db2.gz VLRQLKDIPWVEGB-KRWDZBQOSA-N 1 2 367.413 2.690 20 5 FFBDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000759150210 1024494159 /nfs/dbraw/zinc/49/41/59/1024494159.db2.gz VLRQLKDIPWVEGB-KRWDZBQOSA-N 1 2 367.413 2.690 20 5 FFBDLO CC(C)Cc1noc(COC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC000838100819 1026208514 /nfs/dbraw/zinc/20/85/14/1026208514.db2.gz GQPHNKFBKGFFOW-UHFFFAOYSA-N 1 2 371.353 2.719 20 5 FFBDLO O=C1c2ncccc2CN1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000840124552 1026967799 /nfs/dbraw/zinc/96/77/99/1026967799.db2.gz LRZPGNMWHFTQJQ-HNNXBMFYSA-N 1 2 352.394 2.783 20 5 FFBDLO O=C1c2ncccc2CN1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000840124552 1026967804 /nfs/dbraw/zinc/96/78/04/1026967804.db2.gz LRZPGNMWHFTQJQ-HNNXBMFYSA-N 1 2 352.394 2.783 20 5 FFBDLO CC(C)C[C@H]1NC(=O)N(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000840122443 1026968012 /nfs/dbraw/zinc/96/80/12/1026968012.db2.gz DCILJOAASBTKDZ-NVXWUHKLSA-N 1 2 374.441 2.698 20 5 FFBDLO CC(C)C[C@H]1NC(=O)N(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000840122443 1026968015 /nfs/dbraw/zinc/96/80/15/1026968015.db2.gz DCILJOAASBTKDZ-NVXWUHKLSA-N 1 2 374.441 2.698 20 5 FFBDLO CC(C)[C@]1(C)NC(=O)N(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000840124278 1026968208 /nfs/dbraw/zinc/96/82/08/1026968208.db2.gz ISDFMPPQRFVALL-KXBFYZLASA-N 1 2 374.441 2.698 20 5 FFBDLO CC(C)[C@]1(C)NC(=O)N(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000840124278 1026968215 /nfs/dbraw/zinc/96/82/15/1026968215.db2.gz ISDFMPPQRFVALL-KXBFYZLASA-N 1 2 374.441 2.698 20 5 FFBDLO CCCC[C@@H]1NC(=O)N(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000840128056 1026970183 /nfs/dbraw/zinc/97/01/83/1026970183.db2.gz UQNCLLFPOKRIRS-RDJZCZTQSA-N 1 2 374.441 2.842 20 5 FFBDLO CCCC[C@@H]1NC(=O)N(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000840128056 1026970187 /nfs/dbraw/zinc/97/01/87/1026970187.db2.gz UQNCLLFPOKRIRS-RDJZCZTQSA-N 1 2 374.441 2.842 20 5 FFBDLO COC(=O)c1ccnc(NCC(C)(C)c2cc(OC)cc[nH+]2)c1[N+](=O)[O-] ZINC001162129675 1028445246 /nfs/dbraw/zinc/44/52/46/1028445246.db2.gz MUDRUGOYUYNBCQ-UHFFFAOYSA-N 1 2 360.370 2.570 20 5 FFBDLO C[C@@H]1C[C@@H]1c1cc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n[nH]1 ZINC001163246606 1028852759 /nfs/dbraw/zinc/85/27/59/1028852759.db2.gz BDMWRWSBHRLUCG-PWSUYJOCSA-N 1 2 352.354 2.879 20 5 FFBDLO O=[N+]([O-])c1cnc(Cl)nc1N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001163846926 1029088051 /nfs/dbraw/zinc/08/80/51/1029088051.db2.gz RTSZZFIBXIVFPB-QPJJXVBHSA-N 1 2 359.817 2.874 20 5 FFBDLO COC(=O)c1csc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c1 ZINC001534337347 1069634627 /nfs/dbraw/zinc/63/46/27/1069634627.db2.gz CZSYDUKHPSKDES-UHFFFAOYSA-N 1 2 372.362 2.881 20 5 FFBDLO Cc1nn(C[NH+]2CCN(c3ccc(C)cc3)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000784017141 1030420317 /nfs/dbraw/zinc/42/03/17/1030420317.db2.gz WDZVMSLCQGFCIZ-UHFFFAOYSA-N 1 2 366.425 2.736 20 5 FFBDLO O=C(OCC1CN(c2cccc[nH+]2)C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000842884721 1031018573 /nfs/dbraw/zinc/01/85/73/1031018573.db2.gz URQCJFHESDJTIQ-DLBZAZTESA-N 1 2 353.378 2.773 20 5 FFBDLO C[C@@H]1C[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000797418105 1031105043 /nfs/dbraw/zinc/10/50/43/1031105043.db2.gz QYYAJTDNRVIYLS-LBTNJELSSA-N 1 2 360.414 2.560 20 5 FFBDLO C[C@@H]1C[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000797418105 1031105048 /nfs/dbraw/zinc/10/50/48/1031105048.db2.gz QYYAJTDNRVIYLS-LBTNJELSSA-N 1 2 360.414 2.560 20 5 FFBDLO Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@@H]1C[NH2+]CC(F)(F)C1 ZINC001218857739 1033378954 /nfs/dbraw/zinc/37/89/54/1033378954.db2.gz QNOJMJSEVFHFPU-JTQLQIEISA-N 1 2 357.364 2.549 20 5 FFBDLO O=C(N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)c1cc([N+](=O)[O-])c[nH]1 ZINC001139223646 1035016594 /nfs/dbraw/zinc/01/65/94/1035016594.db2.gz MTBZNBJHZWLAOD-GFCCVEGCSA-N 1 2 357.414 2.981 20 5 FFBDLO O=C(N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)c1cc([N+](=O)[O-])c[nH]1 ZINC001139223646 1035016602 /nfs/dbraw/zinc/01/66/02/1035016602.db2.gz MTBZNBJHZWLAOD-GFCCVEGCSA-N 1 2 357.414 2.981 20 5 FFBDLO O=c1c2cc(O[C@@H]3CCc4[nH+]ccn4C3)c(O)cc2oc2cccc(O)c12 ZINC001227309167 1035501005 /nfs/dbraw/zinc/50/10/05/1035501005.db2.gz IESHUWBQRCOHJC-LLVKDONJSA-N 1 2 364.357 2.948 20 5 FFBDLO COc1cc([N+](=O)[O-])cnc1NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC001536172846 1069930764 /nfs/dbraw/zinc/93/07/64/1069930764.db2.gz IEXXVZQZKTWOAQ-AWEZNQCLSA-N 1 2 364.789 2.893 20 5 FFBDLO COc1cc2c(cc1O[C@H]1CCN(c3ccc([N+](=O)[O-])cn3)C1)C=[NH+]CC2 ZINC001228093113 1035927400 /nfs/dbraw/zinc/92/74/00/1035927400.db2.gz WEEWHXVFTMKDLI-INIZCTEOSA-N 1 2 368.393 2.631 20 5 FFBDLO CO[C@@H]1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C12CCC2 ZINC000835873112 1036059998 /nfs/dbraw/zinc/05/99/98/1036059998.db2.gz JCUXZQRYPSIHTG-HZPDHXFCSA-N 1 2 357.366 2.895 20 5 FFBDLO C[N@@H+]1CCO[C@@H](COc2c([N+](=O)[O-])cc(C(C)(C)C)cc2[N+](=O)[O-])C1 ZINC001231198207 1037496996 /nfs/dbraw/zinc/49/69/96/1037496996.db2.gz NRVXIYMGWWHXBN-GFCCVEGCSA-N 1 2 353.375 2.510 20 5 FFBDLO C[N@H+]1CCO[C@@H](COc2c([N+](=O)[O-])cc(C(C)(C)C)cc2[N+](=O)[O-])C1 ZINC001231198207 1037497001 /nfs/dbraw/zinc/49/70/01/1037497001.db2.gz NRVXIYMGWWHXBN-GFCCVEGCSA-N 1 2 353.375 2.510 20 5 FFBDLO C[NH+](C)Cc1cc(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)no1 ZINC001537568931 1070211007 /nfs/dbraw/zinc/21/10/07/1070211007.db2.gz JLSDLEHNGUTIGY-UHFFFAOYSA-N 1 2 369.175 2.659 20 5 FFBDLO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC001247151345 1039637372 /nfs/dbraw/zinc/63/73/72/1039637372.db2.gz IPJVCYKLDXYQJF-NSHDSACASA-N 1 2 370.344 2.958 20 5 FFBDLO CCOC(=O)c1cnc2n1CC[N@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])[C@H]2C ZINC001254565934 1040802778 /nfs/dbraw/zinc/80/27/78/1040802778.db2.gz RCMWLXCITBSIKY-KBPBESRZSA-N 1 2 372.425 2.976 20 5 FFBDLO CCOC(=O)c1cnc2n1CC[N@@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])[C@H]2C ZINC001254565934 1040802792 /nfs/dbraw/zinc/80/27/92/1040802792.db2.gz RCMWLXCITBSIKY-KBPBESRZSA-N 1 2 372.425 2.976 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[C@H]([NH+]3CCCC3)C(F)(F)C1)C2 ZINC001254611696 1040840379 /nfs/dbraw/zinc/84/03/79/1040840379.db2.gz RNCZVGRZHLIZNA-SJORKVTESA-N 1 2 351.397 2.867 20 5 FFBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1C(=O)C[C@H]1Cc1ccccc1 ZINC001261363903 1041186062 /nfs/dbraw/zinc/18/60/62/1041186062.db2.gz RLRLSFABCPTCNG-LJQANCHMSA-N 1 2 353.422 2.870 20 5 FFBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1C(=O)C[C@H]1Cc1ccccc1 ZINC001261363903 1041186065 /nfs/dbraw/zinc/18/60/65/1041186065.db2.gz RLRLSFABCPTCNG-LJQANCHMSA-N 1 2 353.422 2.870 20 5 FFBDLO O=C1CCCN1[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001320413329 1045403990 /nfs/dbraw/zinc/40/39/90/1045403990.db2.gz YAGRCLMITQVXMJ-ZDUSSCGKSA-N 1 2 368.231 2.554 20 5 FFBDLO O=C1CCCN1[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001320413329 1045403991 /nfs/dbraw/zinc/40/39/91/1045403991.db2.gz YAGRCLMITQVXMJ-ZDUSSCGKSA-N 1 2 368.231 2.554 20 5 FFBDLO Cc1nnc([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3Br)C2)[nH]1 ZINC001326007957 1046720817 /nfs/dbraw/zinc/72/08/17/1046720817.db2.gz NUNRXWBYKHMQFO-NSHDSACASA-N 1 2 366.219 2.773 20 5 FFBDLO Cc1nnc([C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Br)C2)[nH]1 ZINC001326007957 1046720833 /nfs/dbraw/zinc/72/08/33/1046720833.db2.gz NUNRXWBYKHMQFO-NSHDSACASA-N 1 2 366.219 2.773 20 5 FFBDLO Cc1n[nH]c([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3Br)C2)n1 ZINC001326007957 1046720847 /nfs/dbraw/zinc/72/08/47/1046720847.db2.gz NUNRXWBYKHMQFO-NSHDSACASA-N 1 2 366.219 2.773 20 5 FFBDLO Cc1n[nH]c([C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Br)C2)n1 ZINC001326007957 1046720858 /nfs/dbraw/zinc/72/08/58/1046720858.db2.gz NUNRXWBYKHMQFO-NSHDSACASA-N 1 2 366.219 2.773 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H]1c1ncccn1 ZINC001301122960 1050818815 /nfs/dbraw/zinc/81/88/15/1050818815.db2.gz WJWKIFGJIQGHPL-HNNXBMFYSA-N 1 2 364.365 2.548 20 5 FFBDLO COc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccnc2)cc1[N+](=O)[O-] ZINC001337591347 1054873139 /nfs/dbraw/zinc/87/31/39/1054873139.db2.gz QHIMRQGCQXUWNK-INIZCTEOSA-N 1 2 370.409 2.992 20 5 FFBDLO COc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)cc1[N+](=O)[O-] ZINC001337591347 1054873157 /nfs/dbraw/zinc/87/31/57/1054873157.db2.gz QHIMRQGCQXUWNK-INIZCTEOSA-N 1 2 370.409 2.992 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC(c3c[nH+]cn3C)CC2)c1 ZINC001348857924 1054965144 /nfs/dbraw/zinc/96/51/44/1054965144.db2.gz XTWLTQLRKGCKSV-UHFFFAOYSA-N 1 2 372.425 2.812 20 5 FFBDLO CCCc1[nH]nc(C(=O)Nc2nc(C[NH+](CC)CC)cs2)c1[N+](=O)[O-] ZINC001300054158 1055602555 /nfs/dbraw/zinc/60/25/55/1055602555.db2.gz ZJKPPBIFMNLZEM-UHFFFAOYSA-N 1 2 366.447 2.821 20 5 FFBDLO COc1cccc(C(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC001353791203 1058224868 /nfs/dbraw/zinc/22/48/68/1058224868.db2.gz ZGSOJEDAYGPBRC-OAHLLOKOSA-N 1 2 359.357 2.529 20 5 FFBDLO Nc1[nH+]ccc2c1CN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)CC2 ZINC001454542368 1059557480 /nfs/dbraw/zinc/55/74/80/1059557480.db2.gz PPAAYJYBHGVJTJ-UHFFFAOYSA-N 1 2 350.737 2.563 20 5 FFBDLO CC[C@H]1COC(C)(C)C[N@@H+]1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848490283 1060146787 /nfs/dbraw/zinc/14/67/87/1060146787.db2.gz YLIIJAJIODXXEI-DOTOQJQBSA-N 1 2 361.442 2.758 20 5 FFBDLO CC[C@H]1COC(C)(C)C[N@H+]1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848490283 1060146792 /nfs/dbraw/zinc/14/67/92/1060146792.db2.gz YLIIJAJIODXXEI-DOTOQJQBSA-N 1 2 361.442 2.758 20 5 FFBDLO C[S@](=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c1 ZINC001360758928 1062017130 /nfs/dbraw/zinc/01/71/30/1062017130.db2.gz IRHZHMYFLIYFCX-SANMLTNESA-N 1 2 370.390 2.770 20 5 FFBDLO CCOc1ncccc1CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001524673387 1062947972 /nfs/dbraw/zinc/94/79/72/1062947972.db2.gz ZHKLDHMMDKDNFX-UHFFFAOYSA-N 1 2 367.365 2.504 20 5 FFBDLO O=C(OCC1CN(c2cccc[nH+]2)C1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001525874729 1063445421 /nfs/dbraw/zinc/44/54/21/1063445421.db2.gz XWDAXAMGTZQMLY-IRXDYDNUSA-N 1 2 353.378 2.773 20 5 FFBDLO C[C@@H](CNc1c(Cl)cncc1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC001472678346 1065125910 /nfs/dbraw/zinc/12/59/10/1065125910.db2.gz SXDRVHVQZRHYKN-JTQLQIEISA-N 1 2 352.847 2.985 20 5 FFBDLO C[C@@H](CNc1c(Cl)cncc1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC001472678346 1065125913 /nfs/dbraw/zinc/12/59/13/1065125913.db2.gz SXDRVHVQZRHYKN-JTQLQIEISA-N 1 2 352.847 2.985 20 5 FFBDLO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC001472855384 1065159075 /nfs/dbraw/zinc/15/90/75/1065159075.db2.gz CWYGMRCSSGRGHJ-QGZVFWFLSA-N 1 2 373.457 2.741 20 5 FFBDLO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC001472855384 1065159079 /nfs/dbraw/zinc/15/90/79/1065159079.db2.gz CWYGMRCSSGRGHJ-QGZVFWFLSA-N 1 2 373.457 2.741 20 5 FFBDLO COc1ccc(C[N@@H+]2CCC[C@H](NC(=O)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC001473184009 1065214729 /nfs/dbraw/zinc/21/47/29/1065214729.db2.gz GPRLNHHKMUSBRO-KRWDZBQOSA-N 1 2 369.421 2.998 20 5 FFBDLO COc1ccc(C[N@H+]2CCC[C@H](NC(=O)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC001473184009 1065214738 /nfs/dbraw/zinc/21/47/38/1065214738.db2.gz GPRLNHHKMUSBRO-KRWDZBQOSA-N 1 2 369.421 2.998 20 5 FFBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC001562869620 1074102321 /nfs/dbraw/zinc/10/23/21/1074102321.db2.gz ZCJVMMBVMCPCME-NEPJUHHUSA-N 1 2 370.837 2.787 20 5 FFBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC001562869620 1074102327 /nfs/dbraw/zinc/10/23/27/1074102327.db2.gz ZCJVMMBVMCPCME-NEPJUHHUSA-N 1 2 370.837 2.787 20 5 FFBDLO CC(C)(C)[S@@](C)(=O)=NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001584729060 1079383513 /nfs/dbraw/zinc/38/35/13/1079383513.db2.gz DEYAVUQOXNZBKA-XMMPIXPASA-N 1 2 350.400 2.817 20 5 FFBDLO COc1ccc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)c2[nH+]ccn2C)cc1 ZINC000008725653 204340939 /nfs/dbraw/zinc/34/09/39/204340939.db2.gz NKSNDCXVPZKDRB-QGZVFWFLSA-N 1 2 366.377 2.856 20 5 FFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)c1 ZINC000093612274 250038817 /nfs/dbraw/zinc/03/88/17/250038817.db2.gz RRDQBQLHXKAPQJ-GFCCVEGCSA-N 1 2 356.247 2.695 20 5 FFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c1 ZINC000093612274 250038820 /nfs/dbraw/zinc/03/88/20/250038820.db2.gz RRDQBQLHXKAPQJ-GFCCVEGCSA-N 1 2 356.247 2.695 20 5 FFBDLO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc1SC ZINC000153515482 251146027 /nfs/dbraw/zinc/14/60/27/251146027.db2.gz NHHYSHQODMRBGK-LLVKDONJSA-N 1 2 364.427 2.588 20 5 FFBDLO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000192570646 251290540 /nfs/dbraw/zinc/29/05/40/251290540.db2.gz JBNOFKCNGSHWEW-UHFFFAOYSA-N 1 2 364.475 2.597 20 5 FFBDLO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000192570646 251290548 /nfs/dbraw/zinc/29/05/48/251290548.db2.gz JBNOFKCNGSHWEW-UHFFFAOYSA-N 1 2 364.475 2.597 20 5 FFBDLO CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268772127 251379881 /nfs/dbraw/zinc/37/98/81/251379881.db2.gz YNADBKZSHSSAFM-INIZCTEOSA-N 1 2 355.394 2.647 20 5 FFBDLO CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268772127 251379884 /nfs/dbraw/zinc/37/98/84/251379884.db2.gz YNADBKZSHSSAFM-INIZCTEOSA-N 1 2 355.394 2.647 20 5 FFBDLO C[C@@H]1CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000272389818 252026626 /nfs/dbraw/zinc/02/66/26/252026626.db2.gz UDBPMYHJLKVCBK-QMTHXVAHSA-N 1 2 372.410 2.519 20 5 FFBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000272604384 252079574 /nfs/dbraw/zinc/07/95/74/252079574.db2.gz SRBNWOKOJVIBHT-ZDUSSCGKSA-N 1 2 372.429 2.821 20 5 FFBDLO C[NH+](C)CCc1ccccc1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000275724584 256042634 /nfs/dbraw/zinc/04/26/34/256042634.db2.gz MROKLLWDFZOKGW-UHFFFAOYSA-N 1 2 367.402 2.639 20 5 FFBDLO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)c1cccs1 ZINC000276100472 256072713 /nfs/dbraw/zinc/07/27/13/256072713.db2.gz SNERIVALWJZDKD-ZDUSSCGKSA-N 1 2 369.468 2.775 20 5 FFBDLO CCCC[N@H+](Cc1ccc([N+](=O)[O-])c(OCC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000276982747 256149074 /nfs/dbraw/zinc/14/90/74/256149074.db2.gz YOMQATCYFHTKPX-HNNXBMFYSA-N 1 2 370.471 2.783 20 5 FFBDLO CCCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OCC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000276982747 256149075 /nfs/dbraw/zinc/14/90/75/256149075.db2.gz YOMQATCYFHTKPX-HNNXBMFYSA-N 1 2 370.471 2.783 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000277586785 256214454 /nfs/dbraw/zinc/21/44/54/256214454.db2.gz MTFZFZYJMAIXOG-UHFFFAOYSA-N 1 2 372.303 2.634 20 5 FFBDLO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000278884956 256358583 /nfs/dbraw/zinc/35/85/83/256358583.db2.gz YWENLRIMLBZKGS-HTQZYQBOSA-N 1 2 362.249 2.583 20 5 FFBDLO C[C@H]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@H]1n1cc[nH+]c1 ZINC000287927094 257130325 /nfs/dbraw/zinc/13/03/25/257130325.db2.gz QPOFSYBLHRXLSE-XHDPSFHLSA-N 1 2 354.370 2.528 20 5 FFBDLO COc1cc(C[N@@H+]2CC[C@@H](OCc3ccncc3)C2)c([N+](=O)[O-])cc1F ZINC000287702277 257103668 /nfs/dbraw/zinc/10/36/68/257103668.db2.gz JGQWOLLCTOLYEW-OAHLLOKOSA-N 1 2 361.373 2.929 20 5 FFBDLO COc1cc(C[N@H+]2CC[C@@H](OCc3ccncc3)C2)c([N+](=O)[O-])cc1F ZINC000287702277 257103670 /nfs/dbraw/zinc/10/36/70/257103670.db2.gz JGQWOLLCTOLYEW-OAHLLOKOSA-N 1 2 361.373 2.929 20 5 FFBDLO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000287991858 257137001 /nfs/dbraw/zinc/13/70/01/257137001.db2.gz ADIJWAKMSCGNTC-MRXNPFEDSA-N 1 2 359.430 2.605 20 5 FFBDLO CN(C)c1cccnc1CN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000289688116 257293653 /nfs/dbraw/zinc/29/36/53/257293653.db2.gz HZTKOWVILKJKQG-GOSISDBHSA-N 1 2 366.425 2.669 20 5 FFBDLO CC(C)OCc1nc([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)no1 ZINC000290069506 257314052 /nfs/dbraw/zinc/31/40/52/257314052.db2.gz YFWJLQCXVFAPKN-LBPRGKRZSA-N 1 2 350.375 2.632 20 5 FFBDLO CC(C)OCc1nc([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)no1 ZINC000290069501 257314138 /nfs/dbraw/zinc/31/41/38/257314138.db2.gz YFWJLQCXVFAPKN-GFCCVEGCSA-N 1 2 350.375 2.632 20 5 FFBDLO C[C@H](Nc1cccc(C[N@@H+]2CCNC(=O)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000291192376 257390693 /nfs/dbraw/zinc/39/06/93/257390693.db2.gz MDGLJTQOWALOKG-AWEZNQCLSA-N 1 2 354.410 2.700 20 5 FFBDLO C[C@H](Nc1cccc(C[N@H+]2CCNC(=O)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000291192376 257390694 /nfs/dbraw/zinc/39/06/94/257390694.db2.gz MDGLJTQOWALOKG-AWEZNQCLSA-N 1 2 354.410 2.700 20 5 FFBDLO Cc1ccc(NC(=O)N[C@H](c2[nH+]ccn2C)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000297978979 257874639 /nfs/dbraw/zinc/87/46/39/257874639.db2.gz XWQFJVZJFRTKPN-CQSZACIVSA-N 1 2 361.402 2.518 20 5 FFBDLO O=[N+]([O-])c1cnc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(Cl)c1 ZINC000301251583 258036991 /nfs/dbraw/zinc/03/69/91/258036991.db2.gz BPBGSMMXNNSJOO-OAHLLOKOSA-N 1 2 362.817 2.956 20 5 FFBDLO O=[N+]([O-])c1cnc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(Cl)c1 ZINC000301251583 258036993 /nfs/dbraw/zinc/03/69/93/258036993.db2.gz BPBGSMMXNNSJOO-OAHLLOKOSA-N 1 2 362.817 2.956 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](CC(=O)N(C)C2CCCCC2)CC1 ZINC000301461239 258050632 /nfs/dbraw/zinc/05/06/32/258050632.db2.gz ZJKKRGKWZVEZCO-UHFFFAOYSA-N 1 2 374.485 2.816 20 5 FFBDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000301464896 258051222 /nfs/dbraw/zinc/05/12/22/258051222.db2.gz POFZCYIQQMKBLC-NSHDSACASA-N 1 2 362.821 2.504 20 5 FFBDLO COC(=O)c1cc(NCc2ccc(-n3cc[nH+]c3)nc2)cc(C)c1[N+](=O)[O-] ZINC000301592013 258057512 /nfs/dbraw/zinc/05/75/12/258057512.db2.gz YMQMSNIBGFXKEE-UHFFFAOYSA-N 1 2 367.365 2.883 20 5 FFBDLO O=[N+]([O-])c1cnc2ccc(N3CC[NH+](Cc4ccc(Cl)cc4)CC3)nn21 ZINC000301826576 258069384 /nfs/dbraw/zinc/06/93/84/258069384.db2.gz FGBYAIGRFWRRME-UHFFFAOYSA-N 1 2 372.816 2.613 20 5 FFBDLO CC(C)(C)C(=O)N1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000330685608 258168523 /nfs/dbraw/zinc/16/85/23/258168523.db2.gz LPZCYQRMAOEOMF-UHFFFAOYSA-N 1 2 363.458 2.943 20 5 FFBDLO CC(C)(C)C(=O)N1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000330685608 258168524 /nfs/dbraw/zinc/16/85/24/258168524.db2.gz LPZCYQRMAOEOMF-UHFFFAOYSA-N 1 2 363.458 2.943 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H]2CCCCN2C[C@@H]1C ZINC000331980682 258208692 /nfs/dbraw/zinc/20/86/92/258208692.db2.gz FHXJGHDTRNFKDV-RDJZCZTQSA-N 1 2 360.458 2.790 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2CCCCN2C[C@@H]1C ZINC000331980682 258208693 /nfs/dbraw/zinc/20/86/93/258208693.db2.gz FHXJGHDTRNFKDV-RDJZCZTQSA-N 1 2 360.458 2.790 20 5 FFBDLO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000366728260 512160870 /nfs/dbraw/zinc/16/08/70/512160870.db2.gz HKJQEVJXIVMTOO-SUMWQHHRSA-N 1 2 355.394 2.551 20 5 FFBDLO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000366728260 512160871 /nfs/dbraw/zinc/16/08/71/512160871.db2.gz HKJQEVJXIVMTOO-SUMWQHHRSA-N 1 2 355.394 2.551 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000043784009 506779360 /nfs/dbraw/zinc/77/93/60/506779360.db2.gz OGJCDFZYOHCKTO-LBPRGKRZSA-N 1 2 357.366 2.783 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000043784009 506779362 /nfs/dbraw/zinc/77/93/62/506779362.db2.gz OGJCDFZYOHCKTO-LBPRGKRZSA-N 1 2 357.366 2.783 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000067539782 506917525 /nfs/dbraw/zinc/91/75/25/506917525.db2.gz KTNONIUJPHGPFI-UHFFFAOYSA-N 1 2 361.423 2.623 20 5 FFBDLO CC(C)N(C(=O)[C@H](C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)C(C)C ZINC000014924054 507005226 /nfs/dbraw/zinc/00/52/26/507005226.db2.gz HTLSNHFPXBIFID-INIZCTEOSA-N 1 2 362.474 2.751 20 5 FFBDLO Cc1ccc(NC(=O)C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1C ZINC000016565135 507095955 /nfs/dbraw/zinc/09/59/55/507095955.db2.gz FCNSNPCMQKUCOM-UHFFFAOYSA-N 1 2 368.437 2.972 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000057020992 507152525 /nfs/dbraw/zinc/15/25/25/507152525.db2.gz KNTKMAIVZMYKKK-UHFFFAOYSA-N 1 2 372.406 2.567 20 5 FFBDLO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000367074976 512325104 /nfs/dbraw/zinc/32/51/04/512325104.db2.gz RABRUNJKXIIRCR-LBPRGKRZSA-N 1 2 368.353 2.935 20 5 FFBDLO Cc1nc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nc2ccccc12 ZINC000026597400 507598432 /nfs/dbraw/zinc/59/84/32/507598432.db2.gz GTUYPYKUUFEBQH-UHFFFAOYSA-N 1 2 364.409 2.564 20 5 FFBDLO CCOc1ccc(NC(=O)C[NH2+]C(C)(C)c2nccs2)c([N+](=O)[O-])c1 ZINC000072662691 507839362 /nfs/dbraw/zinc/83/93/62/507839362.db2.gz SQYUIJFLNDVJTN-UHFFFAOYSA-N 1 2 364.427 2.913 20 5 FFBDLO O=C(C[N@@H+]1CCC2(C1)CCOCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000072898632 507871116 /nfs/dbraw/zinc/87/11/16/507871116.db2.gz AUNMNIQNWTZKIX-UHFFFAOYSA-N 1 2 353.806 2.689 20 5 FFBDLO O=C(C[N@H+]1CCC2(C1)CCOCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000072898632 507871118 /nfs/dbraw/zinc/87/11/18/507871118.db2.gz AUNMNIQNWTZKIX-UHFFFAOYSA-N 1 2 353.806 2.689 20 5 FFBDLO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000090578542 507928817 /nfs/dbraw/zinc/92/88/17/507928817.db2.gz IYBKPWLDWMCBEM-NEPJUHHUSA-N 1 2 351.403 2.632 20 5 FFBDLO CCc1nn(C)c(NC[C@@H](c2cccc(C)c2)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000092828589 508103367 /nfs/dbraw/zinc/10/33/67/508103367.db2.gz JFHFKZJKSFBAOU-KRWDZBQOSA-N 1 2 373.457 2.685 20 5 FFBDLO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000111589366 508109250 /nfs/dbraw/zinc/10/92/50/508109250.db2.gz XQLKYANHMJPFCP-OAHLLOKOSA-N 1 2 367.365 2.527 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCSC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000083416716 508244949 /nfs/dbraw/zinc/24/49/49/508244949.db2.gz XFMQGINQJZCRFY-NSHDSACASA-N 1 2 353.444 2.758 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCSC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000083416716 508244952 /nfs/dbraw/zinc/24/49/52/508244952.db2.gz XFMQGINQJZCRFY-NSHDSACASA-N 1 2 353.444 2.758 20 5 FFBDLO CCOC(=O)c1ccnc(Nc2ccc(N3CCCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000077909294 508390701 /nfs/dbraw/zinc/39/07/01/508390701.db2.gz GBDZAMDEEDFINU-UHFFFAOYSA-N 1 2 357.370 2.905 20 5 FFBDLO COc1ccc(F)cc1C[NH+]1CCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000115515593 508405358 /nfs/dbraw/zinc/40/53/58/508405358.db2.gz YZILCAUKCWORRS-UHFFFAOYSA-N 1 2 360.389 2.768 20 5 FFBDLO NC(=O)c1ccc(C[N@@H+]2CCSC[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000115560184 508408876 /nfs/dbraw/zinc/40/88/76/508408876.db2.gz IJMQXXRYVZVQMK-KRWDZBQOSA-N 1 2 357.435 2.984 20 5 FFBDLO NC(=O)c1ccc(C[N@H+]2CCSC[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000115560184 508408877 /nfs/dbraw/zinc/40/88/77/508408877.db2.gz IJMQXXRYVZVQMK-KRWDZBQOSA-N 1 2 357.435 2.984 20 5 FFBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152266438 508412077 /nfs/dbraw/zinc/41/20/77/508412077.db2.gz MQKWFKYRGDSULK-CQSZACIVSA-N 1 2 357.414 2.849 20 5 FFBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152266438 508412079 /nfs/dbraw/zinc/41/20/79/508412079.db2.gz MQKWFKYRGDSULK-CQSZACIVSA-N 1 2 357.414 2.849 20 5 FFBDLO CC(C)(NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nccs1 ZINC000116142943 508478130 /nfs/dbraw/zinc/47/81/30/508478130.db2.gz SIZYDBJQFJBVKR-UHFFFAOYSA-N 1 2 357.395 2.902 20 5 FFBDLO CN(C)c1[nH+]cccc1N(C)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000122244493 508505005 /nfs/dbraw/zinc/50/50/05/508505005.db2.gz CNGINIQYUPORPN-UHFFFAOYSA-N 1 2 353.382 2.743 20 5 FFBDLO CC(C)c1ccc(C[N@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000157050454 508515410 /nfs/dbraw/zinc/51/54/10/508515410.db2.gz ZJCPYNYRQKCKIU-HNNXBMFYSA-N 1 2 352.456 2.870 20 5 FFBDLO CC(C)c1ccc(C[N@@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000157050454 508515416 /nfs/dbraw/zinc/51/54/16/508515416.db2.gz ZJCPYNYRQKCKIU-HNNXBMFYSA-N 1 2 352.456 2.870 20 5 FFBDLO C[C@@](CO)(NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000153036311 508541271 /nfs/dbraw/zinc/54/12/71/508541271.db2.gz FRNYBHGBKMJXDU-IBGZPJMESA-N 1 2 372.425 2.842 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000153312056 508570337 /nfs/dbraw/zinc/57/03/37/508570337.db2.gz VPFSLVHKUSTSNU-CYBMUJFWSA-N 1 2 355.394 2.989 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000153312056 508570339 /nfs/dbraw/zinc/57/03/39/508570339.db2.gz VPFSLVHKUSTSNU-CYBMUJFWSA-N 1 2 355.394 2.989 20 5 FFBDLO C[C@H](c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1)[NH+]1CCOCC1 ZINC000157819788 508617763 /nfs/dbraw/zinc/61/77/63/508617763.db2.gz WZNZPVWFBWIMRZ-CYBMUJFWSA-N 1 2 371.393 2.946 20 5 FFBDLO COC(=O)C1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000122988652 508619085 /nfs/dbraw/zinc/61/90/85/508619085.db2.gz FUYQTHNGPHQLAD-UHFFFAOYSA-N 1 2 357.204 2.742 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000135612587 508632707 /nfs/dbraw/zinc/63/27/07/508632707.db2.gz JHADTYKSEPYQNN-UHFFFAOYSA-N 1 2 350.415 2.763 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOC2(CCOCC2)C1 ZINC000135612587 508632710 /nfs/dbraw/zinc/63/27/10/508632710.db2.gz JHADTYKSEPYQNN-UHFFFAOYSA-N 1 2 350.415 2.763 20 5 FFBDLO C[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1C[N@H+](C)CCO1 ZINC000129100002 508683116 /nfs/dbraw/zinc/68/31/16/508683116.db2.gz LMFMKOHYXQNCLN-BLLLJJGKSA-N 1 2 362.455 2.527 20 5 FFBDLO C[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1C[N@@H+](C)CCO1 ZINC000129100002 508683119 /nfs/dbraw/zinc/68/31/19/508683119.db2.gz LMFMKOHYXQNCLN-BLLLJJGKSA-N 1 2 362.455 2.527 20 5 FFBDLO COc1cc(C[NH+]2CCN(c3ccccc3O)CC2)c([N+](=O)[O-])cc1OC ZINC000158536807 508717752 /nfs/dbraw/zinc/71/77/52/508717752.db2.gz VHDJPLULMCQJKJ-UHFFFAOYSA-N 1 2 373.409 2.640 20 5 FFBDLO Cc1cc(NCC(=O)NC2CCCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000141065692 508811218 /nfs/dbraw/zinc/81/12/18/508811218.db2.gz PTDWACMWYRPXDM-UHFFFAOYSA-N 1 2 355.398 2.831 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000142530368 508823924 /nfs/dbraw/zinc/82/39/24/508823924.db2.gz WWHLFCKSFNCNFG-UHFFFAOYSA-N 1 2 352.350 2.719 20 5 FFBDLO Cc1[nH+]c2ccccc2n1CCC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000120017862 508910387 /nfs/dbraw/zinc/91/03/87/508910387.db2.gz VHMZBQCCUUYVKQ-UHFFFAOYSA-N 1 2 367.409 2.871 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1cc(Cl)cn1C ZINC000120029967 508912801 /nfs/dbraw/zinc/91/28/01/508912801.db2.gz MPPIPVMEUKKYHA-UHFFFAOYSA-N 1 2 366.805 2.666 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120029967 508912805 /nfs/dbraw/zinc/91/28/05/508912805.db2.gz MPPIPVMEUKKYHA-UHFFFAOYSA-N 1 2 366.805 2.666 20 5 FFBDLO CCN(CC)c1ccc(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000160163907 508948376 /nfs/dbraw/zinc/94/83/76/508948376.db2.gz BGLGRSQDYBIDSH-UHFFFAOYSA-N 1 2 371.441 2.878 20 5 FFBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)NCc1ccccc1-n1cc[nH+]c1 ZINC000160539480 509000752 /nfs/dbraw/zinc/00/07/52/509000752.db2.gz DNJYVXZCLDTTSH-UHFFFAOYSA-N 1 2 365.393 2.822 20 5 FFBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)NC(=O)Nc1ccccc1 ZINC000155731579 509061141 /nfs/dbraw/zinc/06/11/41/509061141.db2.gz RUPSUFOHYLXQKV-UHFFFAOYSA-N 1 2 368.393 2.908 20 5 FFBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)NC(=O)Nc1ccccc1 ZINC000155731579 509061144 /nfs/dbraw/zinc/06/11/44/509061144.db2.gz RUPSUFOHYLXQKV-UHFFFAOYSA-N 1 2 368.393 2.908 20 5 FFBDLO CN(C)c1[nH+]cccc1CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000132760783 509071360 /nfs/dbraw/zinc/07/13/60/509071360.db2.gz SXGWCGQILJSYNR-UHFFFAOYSA-N 1 2 369.425 2.930 20 5 FFBDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000161164895 509080025 /nfs/dbraw/zinc/08/00/25/509080025.db2.gz FZLQGPPQLGJDSC-ZDUSSCGKSA-N 1 2 358.398 2.848 20 5 FFBDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000161164895 509080030 /nfs/dbraw/zinc/08/00/30/509080030.db2.gz FZLQGPPQLGJDSC-ZDUSSCGKSA-N 1 2 358.398 2.848 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000121343585 509168205 /nfs/dbraw/zinc/16/82/05/509168205.db2.gz MGNIRHABFMGDQD-QGZVFWFLSA-N 1 2 359.382 2.898 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000121343585 509168206 /nfs/dbraw/zinc/16/82/06/509168206.db2.gz MGNIRHABFMGDQD-QGZVFWFLSA-N 1 2 359.382 2.898 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000121343441 509168280 /nfs/dbraw/zinc/16/82/80/509168280.db2.gz MGNIRHABFMGDQD-KRWDZBQOSA-N 1 2 359.382 2.898 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000121343441 509168283 /nfs/dbraw/zinc/16/82/83/509168283.db2.gz MGNIRHABFMGDQD-KRWDZBQOSA-N 1 2 359.382 2.898 20 5 FFBDLO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000121429069 509173284 /nfs/dbraw/zinc/17/32/84/509173284.db2.gz YKFBDXUMAAPXFL-LBPRGKRZSA-N 1 2 350.400 2.542 20 5 FFBDLO Cc1c(NC(=O)CC[N@H+]2CCOC[C@@H]2c2cccn2C)cccc1[N+](=O)[O-] ZINC000162360521 509206226 /nfs/dbraw/zinc/20/62/26/509206226.db2.gz BWXCPBDOJZEHJU-GOSISDBHSA-N 1 2 372.425 2.644 20 5 FFBDLO Cc1c(NC(=O)CC[N@@H+]2CCOC[C@@H]2c2cccn2C)cccc1[N+](=O)[O-] ZINC000162360521 509206235 /nfs/dbraw/zinc/20/62/35/509206235.db2.gz BWXCPBDOJZEHJU-GOSISDBHSA-N 1 2 372.425 2.644 20 5 FFBDLO C[N@@H+]1CC[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@H]1c1ccccc1 ZINC000248029574 509220970 /nfs/dbraw/zinc/22/09/70/509220970.db2.gz KAUABHDMDALFDP-FUHWJXTLSA-N 1 2 365.393 2.646 20 5 FFBDLO C[N@H+]1CC[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@H]1c1ccccc1 ZINC000248029574 509220974 /nfs/dbraw/zinc/22/09/74/509220974.db2.gz KAUABHDMDALFDP-FUHWJXTLSA-N 1 2 365.393 2.646 20 5 FFBDLO COCc1cc([N+](=O)[O-])ccc1NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000266969694 509283445 /nfs/dbraw/zinc/28/34/45/509283445.db2.gz LGOJXOCJKLPORU-UHFFFAOYSA-N 1 2 358.398 2.585 20 5 FFBDLO COC(=O)c1ccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000162865129 509312660 /nfs/dbraw/zinc/31/26/60/509312660.db2.gz YWZANPZIEKAOFB-UHFFFAOYSA-N 1 2 361.423 2.765 20 5 FFBDLO CN(CCc1nccs1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000179220439 509326793 /nfs/dbraw/zinc/32/67/93/509326793.db2.gz ZPRZOQVUHCUFOO-UHFFFAOYSA-N 1 2 357.395 2.552 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCSc2ccncc21 ZINC000176107840 509327151 /nfs/dbraw/zinc/32/71/51/509327151.db2.gz MVGSZBAVDCYGAL-UHFFFAOYSA-N 1 2 367.390 2.928 20 5 FFBDLO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000248456227 509330278 /nfs/dbraw/zinc/33/02/78/509330278.db2.gz LLINKHXHCPXZNH-MDYRTPRTSA-N 1 2 372.421 2.797 20 5 FFBDLO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000248456227 509330283 /nfs/dbraw/zinc/33/02/83/509330283.db2.gz LLINKHXHCPXZNH-MDYRTPRTSA-N 1 2 372.421 2.797 20 5 FFBDLO O=C1NCCCN1C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000179258062 509342281 /nfs/dbraw/zinc/34/22/81/509342281.db2.gz QNGVYYKAGLFKDD-UHFFFAOYSA-N 1 2 352.822 2.628 20 5 FFBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000264211609 509385916 /nfs/dbraw/zinc/38/59/16/509385916.db2.gz UPWKGGXARUOWDZ-UHFFFAOYSA-N 1 2 360.267 2.765 20 5 FFBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCc3c(F)cc(F)cc3C2)c1 ZINC000164091488 509462484 /nfs/dbraw/zinc/46/24/84/509462484.db2.gz PLXHEQALKYOEHP-HNNXBMFYSA-N 1 2 364.348 2.671 20 5 FFBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCc3c(F)cc(F)cc3C2)c1 ZINC000164091488 509462493 /nfs/dbraw/zinc/46/24/93/509462493.db2.gz PLXHEQALKYOEHP-HNNXBMFYSA-N 1 2 364.348 2.671 20 5 FFBDLO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000267445253 509486415 /nfs/dbraw/zinc/48/64/15/509486415.db2.gz PVKYMFONIOSHIC-CYBMUJFWSA-N 1 2 374.397 2.808 20 5 FFBDLO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000267445253 509486417 /nfs/dbraw/zinc/48/64/17/509486417.db2.gz PVKYMFONIOSHIC-CYBMUJFWSA-N 1 2 374.397 2.808 20 5 FFBDLO COc1ccc(S(=O)(=O)Nc2cc[nH+]c(C)c2Cl)cc1[N+](=O)[O-] ZINC000165263574 509564361 /nfs/dbraw/zinc/56/43/61/509564361.db2.gz REKWPYOWRVUYSR-UHFFFAOYSA-N 1 2 357.775 2.761 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(C(F)(F)F)CC1 ZINC000173771123 509767032 /nfs/dbraw/zinc/76/70/32/509767032.db2.gz FIHNQBSJLWXPLR-UHFFFAOYSA-N 1 2 361.320 2.816 20 5 FFBDLO C[NH+](C)[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000173771225 509767244 /nfs/dbraw/zinc/76/72/44/509767244.db2.gz TZGGBLGKXLAQNL-MRXNPFEDSA-N 1 2 363.364 2.835 20 5 FFBDLO O=C(C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12)Nc1ccccc1[N+](=O)[O-] ZINC000186692880 509855864 /nfs/dbraw/zinc/85/58/64/509855864.db2.gz BNBXPPJQTDMAJM-IBGZPJMESA-N 1 2 353.378 2.665 20 5 FFBDLO O=C(C[N@H+]1CC[C@@]2(C1)OCc1ccccc12)Nc1ccccc1[N+](=O)[O-] ZINC000186692880 509855872 /nfs/dbraw/zinc/85/58/72/509855872.db2.gz BNBXPPJQTDMAJM-IBGZPJMESA-N 1 2 353.378 2.665 20 5 FFBDLO Cc1nsc(N2CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)n1 ZINC000177161592 509910797 /nfs/dbraw/zinc/91/07/97/509910797.db2.gz KAXLFXWNYOOTGF-UHFFFAOYSA-N 1 2 374.426 2.608 20 5 FFBDLO Cc1nsc(N2CCC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)n1 ZINC000177161592 509910801 /nfs/dbraw/zinc/91/08/01/509910801.db2.gz KAXLFXWNYOOTGF-UHFFFAOYSA-N 1 2 374.426 2.608 20 5 FFBDLO C[C@@H]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@@H]1n1cc[nH+]c1 ZINC000268413249 509914793 /nfs/dbraw/zinc/91/47/93/509914793.db2.gz ZIOGESBFBOWTCO-KDOFPFPSSA-N 1 2 367.409 2.856 20 5 FFBDLO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)c([N+](=O)[O-])c1 ZINC000193585088 509977690 /nfs/dbraw/zinc/97/76/90/509977690.db2.gz MOGOKJBQMNDMJE-ZDUSSCGKSA-N 1 2 373.413 2.535 20 5 FFBDLO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H](c3ccn[nH]3)C2)c([N+](=O)[O-])c1 ZINC000193585088 509977696 /nfs/dbraw/zinc/97/76/96/509977696.db2.gz MOGOKJBQMNDMJE-ZDUSSCGKSA-N 1 2 373.413 2.535 20 5 FFBDLO COC(=O)c1cnc(NCc2cccc(Cn3cc[nH+]c3)c2)c([N+](=O)[O-])c1 ZINC000190166765 509982598 /nfs/dbraw/zinc/98/25/98/509982598.db2.gz YMGSWNOERYQXBH-UHFFFAOYSA-N 1 2 367.365 2.633 20 5 FFBDLO COc1ccc(NC(=O)C[NH2+]C(C)(C)c2ncc(C)s2)c([N+](=O)[O-])c1 ZINC000183920136 510038351 /nfs/dbraw/zinc/03/83/51/510038351.db2.gz AIWJBLKOUZPCPL-UHFFFAOYSA-N 1 2 364.427 2.832 20 5 FFBDLO O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000180815677 510123868 /nfs/dbraw/zinc/12/38/68/510123868.db2.gz GWMMBAFTBZFBAJ-UHFFFAOYSA-N 1 2 358.379 2.927 20 5 FFBDLO Cn1c2ccc(NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)cc2[nH+]c1C1CC1 ZINC000187212259 510127200 /nfs/dbraw/zinc/12/72/00/510127200.db2.gz BALWHTNTYXKHFV-UHFFFAOYSA-N 1 2 353.338 2.712 20 5 FFBDLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000193959337 510148355 /nfs/dbraw/zinc/14/83/55/510148355.db2.gz PKJODXAUNGTOFF-AWEZNQCLSA-N 1 2 371.397 2.777 20 5 FFBDLO COc1ccccc1C[N@@H+](CCO)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184199127 510188368 /nfs/dbraw/zinc/18/83/68/510188368.db2.gz ISFRTPCBBMRLIH-UHFFFAOYSA-N 1 2 364.373 2.746 20 5 FFBDLO COc1ccccc1C[N@H+](CCO)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184199127 510188372 /nfs/dbraw/zinc/18/83/72/510188372.db2.gz ISFRTPCBBMRLIH-UHFFFAOYSA-N 1 2 364.373 2.746 20 5 FFBDLO CCCC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000184256520 510220742 /nfs/dbraw/zinc/22/07/42/510220742.db2.gz IEZXHVIVMRGSNC-ZDUSSCGKSA-N 1 2 374.434 2.532 20 5 FFBDLO CCCC[N@@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000184256520 510220748 /nfs/dbraw/zinc/22/07/48/510220748.db2.gz IEZXHVIVMRGSNC-ZDUSSCGKSA-N 1 2 374.434 2.532 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2nccs2)c([N+](=O)[O-])c1 ZINC000184419325 510315717 /nfs/dbraw/zinc/31/57/17/510315717.db2.gz RTBUMKXYOKHLEA-ZJUUUORDSA-N 1 2 350.400 2.738 20 5 FFBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000187560443 510331876 /nfs/dbraw/zinc/33/18/76/510331876.db2.gz FRUKLCFKPDVJOF-UHFFFAOYSA-N 1 2 359.729 2.787 20 5 FFBDLO C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174857925 510347065 /nfs/dbraw/zinc/34/70/65/510347065.db2.gz OCNDYRLUJIDULW-WBMJQRKESA-N 1 2 350.806 2.907 20 5 FFBDLO C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174857925 510347070 /nfs/dbraw/zinc/34/70/70/510347070.db2.gz OCNDYRLUJIDULW-WBMJQRKESA-N 1 2 350.806 2.907 20 5 FFBDLO COc1cc(C[N@H+](C)C[C@@H](O)C(F)(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC000181334155 510360252 /nfs/dbraw/zinc/36/02/52/510360252.db2.gz DPPFMJPPMXBRML-LLVKDONJSA-N 1 2 374.262 2.560 20 5 FFBDLO COc1cc(C[N@@H+](C)C[C@@H](O)C(F)(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC000181334155 510360254 /nfs/dbraw/zinc/36/02/54/510360254.db2.gz DPPFMJPPMXBRML-LLVKDONJSA-N 1 2 374.262 2.560 20 5 FFBDLO CC(C)c1n[nH]c(C(=O)NCc2ccccc2Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000269418206 510396129 /nfs/dbraw/zinc/39/61/29/510396129.db2.gz WXJUGISDTINDMD-UHFFFAOYSA-N 1 2 368.397 2.616 20 5 FFBDLO C[C@@]1(c2ccccc2)C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000246293102 510411995 /nfs/dbraw/zinc/41/19/95/510411995.db2.gz BOHMKCDIHHPFNX-QUCCMNQESA-N 1 2 372.421 2.582 20 5 FFBDLO C[C@@]1(c2ccccc2)C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000246293102 510412000 /nfs/dbraw/zinc/41/20/00/510412000.db2.gz BOHMKCDIHHPFNX-QUCCMNQESA-N 1 2 372.421 2.582 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccnc3)CC2)cc1OC(F)F ZINC000266152450 510436426 /nfs/dbraw/zinc/43/64/26/510436426.db2.gz UEWQVIIRUHAGLG-UHFFFAOYSA-N 1 2 364.352 2.913 20 5 FFBDLO O=C(NCCNc1ccccc1[N+](=O)[O-])c1cccc(-n2cc[nH+]c2)c1 ZINC000172039018 510512482 /nfs/dbraw/zinc/51/24/82/510512482.db2.gz TYNLUYCCCONWCX-UHFFFAOYSA-N 1 2 351.366 2.622 20 5 FFBDLO O=C(NC1CC1)c1ccc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000269860621 510574239 /nfs/dbraw/zinc/57/42/39/510574239.db2.gz ISZHUARKWYUQEU-OAHLLOKOSA-N 1 2 367.409 2.573 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3nccn3-c3ccccc3)C2)nc1 ZINC000191383894 510632367 /nfs/dbraw/zinc/63/23/67/510632367.db2.gz DXLDAFIMGSFHCI-HNNXBMFYSA-N 1 2 364.409 2.862 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3nccn3-c3ccccc3)C2)nc1 ZINC000191383894 510632372 /nfs/dbraw/zinc/63/23/72/510632372.db2.gz DXLDAFIMGSFHCI-HNNXBMFYSA-N 1 2 364.409 2.862 20 5 FFBDLO CCO[C@H]1C[C@@H]([N@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000181905791 510651889 /nfs/dbraw/zinc/65/18/89/510651889.db2.gz PZNRQORFZHNQRT-CVEARBPZSA-N 1 2 370.471 2.504 20 5 FFBDLO CCO[C@H]1C[C@@H]([N@@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000181905791 510651893 /nfs/dbraw/zinc/65/18/93/510651893.db2.gz PZNRQORFZHNQRT-CVEARBPZSA-N 1 2 370.471 2.504 20 5 FFBDLO C[C@@H]1Cc2ccccc2C[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181912472 510656200 /nfs/dbraw/zinc/65/62/00/510656200.db2.gz FTABXUHOZBMXTM-CQSZACIVSA-N 1 2 360.435 2.815 20 5 FFBDLO C[C@@H]1Cc2ccccc2C[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181912472 510656208 /nfs/dbraw/zinc/65/62/08/510656208.db2.gz FTABXUHOZBMXTM-CQSZACIVSA-N 1 2 360.435 2.815 20 5 FFBDLO COc1cc(C(=O)NCc2cn3cccc(C)c3[nH+]2)cc([N+](=O)[O-])c1C ZINC000191468507 510675304 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CC(C)c1ncc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000440480302 513329078 /nfs/dbraw/zinc/32/90/78/513329078.db2.gz VKPNIWUHIPVAOP-ZDUSSCGKSA-N 1 2 357.414 2.967 20 5 FFBDLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1F ZINC000440495171 513334727 /nfs/dbraw/zinc/33/47/27/513334727.db2.gz BDVAWGCMBUJUQJ-CQSZACIVSA-N 1 2 373.388 2.562 20 5 FFBDLO Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1F ZINC000440495171 513334732 /nfs/dbraw/zinc/33/47/32/513334732.db2.gz BDVAWGCMBUJUQJ-CQSZACIVSA-N 1 2 373.388 2.562 20 5 FFBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000450787974 513342550 /nfs/dbraw/zinc/34/25/50/513342550.db2.gz GWQGOIYDNTYTOJ-JTQLQIEISA-N 1 2 354.288 2.555 20 5 FFBDLO C[C@@H]1C[C@H](Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000450831364 513360205 /nfs/dbraw/zinc/36/02/05/513360205.db2.gz PIMZOWDZZGKCNU-RISCZKNCSA-N 1 2 366.381 2.874 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCN1CCOC(C)(C)C1 ZINC000434710055 513404880 /nfs/dbraw/zinc/40/48/80/513404880.db2.gz ZCFBAEJYRLARFB-UHFFFAOYSA-N 1 2 351.447 2.536 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCN1CCOC(C)(C)C1 ZINC000434710055 513404885 /nfs/dbraw/zinc/40/48/85/513404885.db2.gz ZCFBAEJYRLARFB-UHFFFAOYSA-N 1 2 351.447 2.536 20 5 FFBDLO COC(=O)C[C@@](C)([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccccn1 ZINC000429677639 513440230 /nfs/dbraw/zinc/44/02/30/513440230.db2.gz CJUJOIOJULHCMZ-GOSISDBHSA-N 1 2 359.382 2.567 20 5 FFBDLO C[C@H](O)CC(C)(C)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447812568 513577829 /nfs/dbraw/zinc/57/78/29/513577829.db2.gz SCHWZPUHVSQGFI-AWEZNQCLSA-N 1 2 351.447 2.636 20 5 FFBDLO CC(C)[C@@H](O)C1(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000447816933 513579936 /nfs/dbraw/zinc/57/99/36/513579936.db2.gz NULXESGLUSFYLE-GOSISDBHSA-N 1 2 363.458 2.636 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000447846881 513596730 /nfs/dbraw/zinc/59/67/30/513596730.db2.gz XZDJWFVCMRYITC-SUNYJGFJSA-N 1 2 350.415 2.762 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000447846881 513596736 /nfs/dbraw/zinc/59/67/36/513596736.db2.gz XZDJWFVCMRYITC-SUNYJGFJSA-N 1 2 350.415 2.762 20 5 FFBDLO Cc1cc(N[C@@H]2CCCC(F)(F)[C@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413578025 513721661 /nfs/dbraw/zinc/72/16/61/513721661.db2.gz NHCBTMZRZFBCIU-HIFRSBDPSA-N 1 2 364.352 2.743 20 5 FFBDLO Cc1cc(N(C[C@H]2CCC(=O)N2)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413588066 513727123 /nfs/dbraw/zinc/72/71/23/513727123.db2.gz GBCDWDOGGUMUDL-OAHLLOKOSA-N 1 2 369.425 2.854 20 5 FFBDLO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](CO)c1ccccc1 ZINC000436265027 513811712 /nfs/dbraw/zinc/81/17/12/513811712.db2.gz XHWNQCAMHYRQAD-INIZCTEOSA-N 1 2 363.801 2.852 20 5 FFBDLO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](CO)c1ccccc1 ZINC000436265027 513811720 /nfs/dbraw/zinc/81/17/20/513811720.db2.gz XHWNQCAMHYRQAD-INIZCTEOSA-N 1 2 363.801 2.852 20 5 FFBDLO O=C1[C@@H]([N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCN1CC(F)(F)F ZINC000451545951 513824040 /nfs/dbraw/zinc/82/40/40/513824040.db2.gz IDIMQXBCDIAGHE-HIFRSBDPSA-N 1 2 371.359 2.937 20 5 FFBDLO O=C1[C@@H]([N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCN1CC(F)(F)F ZINC000451545951 513824045 /nfs/dbraw/zinc/82/40/45/513824045.db2.gz IDIMQXBCDIAGHE-HIFRSBDPSA-N 1 2 371.359 2.937 20 5 FFBDLO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3nnn(CC(F)(F)F)n3)C2)cc1 ZINC000451548416 513826942 /nfs/dbraw/zinc/82/69/42/513826942.db2.gz MZGJPONRXLPUPU-LBPRGKRZSA-N 1 2 370.335 2.523 20 5 FFBDLO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3nnn(CC(F)(F)F)n3)C2)cc1 ZINC000451548416 513826951 /nfs/dbraw/zinc/82/69/51/513826951.db2.gz MZGJPONRXLPUPU-LBPRGKRZSA-N 1 2 370.335 2.523 20 5 FFBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000431355856 513881434 /nfs/dbraw/zinc/88/14/34/513881434.db2.gz BSOJVWWQQUASKY-UHFFFAOYSA-N 1 2 368.393 2.757 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000452001183 514125659 /nfs/dbraw/zinc/12/56/59/514125659.db2.gz WFRGDKAVULDJHR-HNNXBMFYSA-N 1 2 364.446 2.618 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000452001183 514125662 /nfs/dbraw/zinc/12/56/62/514125662.db2.gz WFRGDKAVULDJHR-HNNXBMFYSA-N 1 2 364.446 2.618 20 5 FFBDLO CN([C@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000432290405 514149388 /nfs/dbraw/zinc/14/93/88/514149388.db2.gz BTHSXSRMPAQMHI-INIZCTEOSA-N 1 2 372.406 2.728 20 5 FFBDLO C[C@H](Cc1cccc(O)c1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000427630246 514269379 /nfs/dbraw/zinc/26/93/79/514269379.db2.gz RHSALTCSRZFMTK-CYBMUJFWSA-N 1 2 366.377 2.847 20 5 FFBDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444653290 514284805 /nfs/dbraw/zinc/28/48/05/514284805.db2.gz VNLKULVGHCEHQZ-KGLIPLIRSA-N 1 2 359.430 2.692 20 5 FFBDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444653290 514284809 /nfs/dbraw/zinc/28/48/09/514284809.db2.gz VNLKULVGHCEHQZ-KGLIPLIRSA-N 1 2 359.430 2.692 20 5 FFBDLO CCN1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000433110369 514386079 /nfs/dbraw/zinc/38/60/79/514386079.db2.gz OZFWWKXRUURDAY-KRWDZBQOSA-N 1 2 371.441 2.960 20 5 FFBDLO CC1(C)[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@@H]2CCCO[C@H]21 ZINC000449944837 514435960 /nfs/dbraw/zinc/43/59/60/514435960.db2.gz LASJEZPGDLBVOH-IAOVAPTHSA-N 1 2 370.409 2.714 20 5 FFBDLO CC(C)c1nnc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)s1 ZINC000450042683 514477984 /nfs/dbraw/zinc/47/79/84/514477984.db2.gz VEWDDIWTMGZOFB-UHFFFAOYSA-N 1 2 372.410 2.685 20 5 FFBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1ccccc1C[NH+]1CCOCC1 ZINC000470701439 514579781 /nfs/dbraw/zinc/57/97/81/514579781.db2.gz NPUFBSUPUDSTCJ-UHFFFAOYSA-N 1 2 359.357 2.818 20 5 FFBDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000470942019 514684206 /nfs/dbraw/zinc/68/42/06/514684206.db2.gz AIYBFWVJSYFEOT-ZWNOBZJWSA-N 1 2 366.361 2.641 20 5 FFBDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000470942019 514684213 /nfs/dbraw/zinc/68/42/13/514684213.db2.gz AIYBFWVJSYFEOT-ZWNOBZJWSA-N 1 2 366.361 2.641 20 5 FFBDLO O=C(N[C@@H]1CCOC2(CCC2)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000489193110 514747638 /nfs/dbraw/zinc/74/76/38/514747638.db2.gz POPVVOQQQFNXCS-CQSZACIVSA-N 1 2 356.382 2.612 20 5 FFBDLO CCc1cc(NCCO[C@@H]2CCCCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000461892376 514769822 /nfs/dbraw/zinc/76/98/22/514769822.db2.gz USINSHKHVPRQPA-GOSISDBHSA-N 1 2 372.425 2.991 20 5 FFBDLO Cc1cc(NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)c(F)cc1[N+](=O)[O-] ZINC000461937732 514797459 /nfs/dbraw/zinc/79/74/59/514797459.db2.gz QHFFRGLQFAYPRB-KBPBESRZSA-N 1 2 365.384 2.800 20 5 FFBDLO Cc1cc(NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)c(F)cc1[N+](=O)[O-] ZINC000461937732 514797465 /nfs/dbraw/zinc/79/74/65/514797465.db2.gz QHFFRGLQFAYPRB-KBPBESRZSA-N 1 2 365.384 2.800 20 5 FFBDLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000480004455 514806534 /nfs/dbraw/zinc/80/65/34/514806534.db2.gz RDTIRJZOQXGGIW-GFCCVEGCSA-N 1 2 357.414 2.793 20 5 FFBDLO COc1ccc(CN2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)CC2=O)cc1 ZINC000466880351 514811828 /nfs/dbraw/zinc/81/18/28/514811828.db2.gz JQKSZCJISCJWHF-UHFFFAOYSA-N 1 2 369.421 2.838 20 5 FFBDLO COc1ccc(CN2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)CC2=O)cc1 ZINC000466880351 514811837 /nfs/dbraw/zinc/81/18/37/514811837.db2.gz JQKSZCJISCJWHF-UHFFFAOYSA-N 1 2 369.421 2.838 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1C[C@@H](CO)c2ccccc21 ZINC000498277330 514844597 /nfs/dbraw/zinc/84/45/97/514844597.db2.gz RTWKSVWJAPWXEJ-AWEZNQCLSA-N 1 2 364.361 2.517 20 5 FFBDLO O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000502978230 514864589 /nfs/dbraw/zinc/86/45/89/514864589.db2.gz AOKLFXAKUKDPLA-SFHVURJKSA-N 1 2 370.409 2.790 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1CNc1[nH+]c2c(cccc2OC)n1C ZINC000471462195 514896160 /nfs/dbraw/zinc/89/61/60/514896160.db2.gz LOAYZAVFSWXLHQ-UHFFFAOYSA-N 1 2 356.382 2.923 20 5 FFBDLO C[C@H](Sc1cccc([N+](=O)[O-])c1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000509091041 515020617 /nfs/dbraw/zinc/02/06/17/515020617.db2.gz UYEHGWLMSKPRGK-AWEZNQCLSA-N 1 2 372.450 2.819 20 5 FFBDLO CCN1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@H]1c1[nH]cc[nH+]1 ZINC000480713493 515056064 /nfs/dbraw/zinc/05/60/64/515056064.db2.gz WANKZQVVIPQKBH-INIZCTEOSA-N 1 2 352.398 2.749 20 5 FFBDLO CC(C)(C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1[N+](=O)[O-] ZINC000509212131 515076800 /nfs/dbraw/zinc/07/68/00/515076800.db2.gz ONOBDPSIXFEGBM-OAHLLOKOSA-N 1 2 355.394 2.947 20 5 FFBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@@H+](Cc2ccccc2)C1 ZINC000456326213 515094981 /nfs/dbraw/zinc/09/49/81/515094981.db2.gz GLIKNIOOYBZELR-HNNXBMFYSA-N 1 2 369.421 2.895 20 5 FFBDLO C[C@@H]1C[C@@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000456402648 515160209 /nfs/dbraw/zinc/16/02/09/515160209.db2.gz FLCFLGZZADYXJK-PSASIEDQSA-N 1 2 352.297 2.829 20 5 FFBDLO CCOc1cc(C(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)c([N+](=O)[O-])cc1OC ZINC000456406845 515163399 /nfs/dbraw/zinc/16/33/99/515163399.db2.gz YIDFZESNBPKHBF-JQWIXIFHSA-N 1 2 360.370 2.634 20 5 FFBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000462746094 515221211 /nfs/dbraw/zinc/22/12/11/515221211.db2.gz RQDWZDYUAMIOIS-MRXNPFEDSA-N 1 2 356.426 2.941 20 5 FFBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cccc([N+](=O)[O-])c1OC ZINC000477086643 515321382 /nfs/dbraw/zinc/32/13/82/515321382.db2.gz IZQBKWVECDWZLM-UHFFFAOYSA-N 1 2 360.414 2.915 20 5 FFBDLO Cc1c(CNC(=O)c2ccccc2C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000481479897 515341940 /nfs/dbraw/zinc/34/19/40/515341940.db2.gz ROWBIZXFRHMJBS-UHFFFAOYSA-N 1 2 369.421 2.665 20 5 FFBDLO CCc1cnccc1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000490958571 515343810 /nfs/dbraw/zinc/34/38/10/515343810.db2.gz AHQFSVUMAQEABZ-UHFFFAOYSA-N 1 2 351.366 2.668 20 5 FFBDLO Cn1ncc2c1nc[nH+]c2NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000509926046 515371478 /nfs/dbraw/zinc/37/14/78/515371478.db2.gz LNOAGWYPUNOFGL-UHFFFAOYSA-N 1 2 352.276 2.902 20 5 FFBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2nnnn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000504911718 515408370 /nfs/dbraw/zinc/40/83/70/515408370.db2.gz KHLSEDLQMCVRDC-CYBMUJFWSA-N 1 2 368.397 2.820 20 5 FFBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492039085 515493626 /nfs/dbraw/zinc/49/36/26/515493626.db2.gz GWRWGTKAWXJNPW-UHFFFAOYSA-N 1 2 366.381 2.599 20 5 FFBDLO CN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000492517134 515541482 /nfs/dbraw/zinc/54/14/82/515541482.db2.gz WJOQNTPCNWOCNV-SFHVURJKSA-N 1 2 366.377 2.945 20 5 FFBDLO CN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000492604824 515549302 /nfs/dbraw/zinc/54/93/02/515549302.db2.gz YNXACVMIYSOFFF-GOSISDBHSA-N 1 2 365.393 2.978 20 5 FFBDLO CCOc1cc(C[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)ccc1[N+](=O)[O-] ZINC000492894851 515574049 /nfs/dbraw/zinc/57/40/49/515574049.db2.gz SGMSZXIPMPMVSG-UHFFFAOYSA-N 1 2 371.441 2.916 20 5 FFBDLO CCC(CC)[C@@H](C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000473328811 515579246 /nfs/dbraw/zinc/57/92/46/515579246.db2.gz AYUTXJRGAGZRGY-INIZCTEOSA-N 1 2 353.394 2.809 20 5 FFBDLO COc1ccccc1[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000505551834 515582666 /nfs/dbraw/zinc/58/26/66/515582666.db2.gz VAVDOJUSFLRMPH-MRXNPFEDSA-N 1 2 359.357 2.529 20 5 FFBDLO CC(C)[C@@H](C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000473360273 515586893 /nfs/dbraw/zinc/58/68/93/515586893.db2.gz XQLVENIYLKHKLH-OZVIIMIRSA-N 1 2 353.394 2.806 20 5 FFBDLO CC(C)[C@@H](C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000473360273 515586900 /nfs/dbraw/zinc/58/69/00/515586900.db2.gz XQLVENIYLKHKLH-OZVIIMIRSA-N 1 2 353.394 2.806 20 5 FFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000459512538 515607993 /nfs/dbraw/zinc/60/79/93/515607993.db2.gz JZKCXBQHQVWOKG-QWHCGFSZSA-N 1 2 360.439 2.959 20 5 FFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000459512538 515607998 /nfs/dbraw/zinc/60/79/98/515607998.db2.gz JZKCXBQHQVWOKG-QWHCGFSZSA-N 1 2 360.439 2.959 20 5 FFBDLO CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000493206799 515609194 /nfs/dbraw/zinc/60/91/94/515609194.db2.gz RTCJMARHMUEFBZ-INIZCTEOSA-N 1 2 352.350 2.885 20 5 FFBDLO CS(=O)(=O)c1ccc(F)c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000500374126 515681491 /nfs/dbraw/zinc/68/14/91/515681491.db2.gz DHRUZDWWWBWJDL-UHFFFAOYSA-N 1 2 356.350 2.566 20 5 FFBDLO CC1(C)C[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000457158186 515694382 /nfs/dbraw/zinc/69/43/82/515694382.db2.gz NFBCWXVFLQZKMK-CYBMUJFWSA-N 1 2 358.398 2.716 20 5 FFBDLO O=C(C[N@@H+]1CC[C@H](COc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000505885666 515710474 /nfs/dbraw/zinc/71/04/74/515710474.db2.gz UHBSOSYYJYFUFD-HNNXBMFYSA-N 1 2 355.394 2.934 20 5 FFBDLO O=C(C[N@H+]1CC[C@H](COc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000505885666 515710483 /nfs/dbraw/zinc/71/04/83/515710483.db2.gz UHBSOSYYJYFUFD-HNNXBMFYSA-N 1 2 355.394 2.934 20 5 FFBDLO C[C@@H]1CCCN(c2ccc(C(=O)NCCc3[nH]cc[nH+]3)cc2[N+](=O)[O-])C1 ZINC000469272712 515750853 /nfs/dbraw/zinc/75/08/53/515750853.db2.gz DLLDJALAHKFCMN-CYBMUJFWSA-N 1 2 357.414 2.527 20 5 FFBDLO C[NH+](C)Cc1csc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)n1 ZINC000457295825 515787551 /nfs/dbraw/zinc/78/75/51/515787551.db2.gz RMSCQCOFSNSIRV-UHFFFAOYSA-N 1 2 363.443 2.944 20 5 FFBDLO C[NH+](C)Cc1csc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)n1 ZINC000457297726 515789139 /nfs/dbraw/zinc/78/91/39/515789139.db2.gz UYYGPDYDPXTCBA-UHFFFAOYSA-N 1 2 361.427 2.940 20 5 FFBDLO C[C@H](CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000473884371 515790056 /nfs/dbraw/zinc/79/00/56/515790056.db2.gz HUUSKUBWPUIMFV-VXGBXAGGSA-N 1 2 366.805 2.665 20 5 FFBDLO Cc1cc[nH+]cc1N1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000500660368 515806054 /nfs/dbraw/zinc/80/60/54/515806054.db2.gz ATMYKYSICBNWAJ-UHFFFAOYSA-N 1 2 360.801 2.914 20 5 FFBDLO COc1c(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cccc1[N+](=O)[O-] ZINC000474698347 516160616 /nfs/dbraw/zinc/16/06/16/516160616.db2.gz XZJNWWQYZNKWOM-UHFFFAOYSA-N 1 2 366.377 2.778 20 5 FFBDLO COC(=O)C[N@H+](C)Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000507301931 516163384 /nfs/dbraw/zinc/16/33/84/516163384.db2.gz VLRBDMXXAIETQK-UHFFFAOYSA-N 1 2 374.393 2.787 20 5 FFBDLO COC(=O)C[N@@H+](C)Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000507301931 516163393 /nfs/dbraw/zinc/16/33/93/516163393.db2.gz VLRBDMXXAIETQK-UHFFFAOYSA-N 1 2 374.393 2.787 20 5 FFBDLO CSCC[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000557662830 516365999 /nfs/dbraw/zinc/36/59/99/516365999.db2.gz RSBBUZQKVUGJMD-AWEZNQCLSA-N 1 2 373.438 2.927 20 5 FFBDLO O=C(C[N@@H+]1CC[C@H](COC(F)F)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000512818410 516373083 /nfs/dbraw/zinc/37/30/83/516373083.db2.gz TXCBTESVLUNRQI-VIFPVBQESA-N 1 2 363.748 2.748 20 5 FFBDLO O=C(C[N@H+]1CC[C@H](COC(F)F)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000512818410 516373091 /nfs/dbraw/zinc/37/30/91/516373091.db2.gz TXCBTESVLUNRQI-VIFPVBQESA-N 1 2 363.748 2.748 20 5 FFBDLO CN(C(=O)C[NH+]1CCC(Nc2ccccn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000535575821 516407194 /nfs/dbraw/zinc/40/71/94/516407194.db2.gz SEVFUWMIEQLGJR-UHFFFAOYSA-N 1 2 369.425 2.529 20 5 FFBDLO C[C@@H]1CN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C[C@H](C)[N@H+]1C ZINC000513118155 516480884 /nfs/dbraw/zinc/48/08/84/516480884.db2.gz IJKJONMHOKQJEB-BETUJISGSA-N 1 2 367.424 2.985 20 5 FFBDLO C[C@@H]1CN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C[C@H](C)[N@@H+]1C ZINC000513118155 516480891 /nfs/dbraw/zinc/48/08/91/516480891.db2.gz IJKJONMHOKQJEB-BETUJISGSA-N 1 2 367.424 2.985 20 5 FFBDLO C[C@@H](NC(=O)NCCc1cn2ccccc2[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000540347217 516521408 /nfs/dbraw/zinc/52/14/08/516521408.db2.gz BNLJIUCNOFOCCR-CYBMUJFWSA-N 1 2 353.382 2.845 20 5 FFBDLO O=C(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)NCCc1ccc(Cl)cc1 ZINC000536001649 516583917 /nfs/dbraw/zinc/58/39/17/516583917.db2.gz GYMSLSYZQWCHHG-UHFFFAOYSA-N 1 2 373.840 2.965 20 5 FFBDLO O=C(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)NCCc1ccc(Cl)cc1 ZINC000536001649 516583923 /nfs/dbraw/zinc/58/39/23/516583923.db2.gz GYMSLSYZQWCHHG-UHFFFAOYSA-N 1 2 373.840 2.965 20 5 FFBDLO O=C(CC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)N1CCCC1 ZINC000547852999 516600579 /nfs/dbraw/zinc/60/05/79/516600579.db2.gz KKXIFDGGOOFGGS-UHFFFAOYSA-N 1 2 371.441 2.696 20 5 FFBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531886806 516692316 /nfs/dbraw/zinc/69/23/16/516692316.db2.gz VPNUPTCLWCPXJT-UHFFFAOYSA-N 1 2 369.425 2.764 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000514086885 516856661 /nfs/dbraw/zinc/85/66/61/516856661.db2.gz DKWYRSLNFSUYTO-SFHVURJKSA-N 1 2 366.377 2.936 20 5 FFBDLO NC(=O)c1ccc(N2CCC(CCCn3cc[nH+]c3)CC2)c([N+](=O)[O-])c1 ZINC000541188494 516920446 /nfs/dbraw/zinc/92/04/46/516920446.db2.gz CVBXQKMNOIFCJY-UHFFFAOYSA-N 1 2 357.414 2.587 20 5 FFBDLO CCc1ccc([C@H]([NH2+]CC(=O)NCC2CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541570572 517118398 /nfs/dbraw/zinc/11/83/98/517118398.db2.gz VTBIQUQLLTWCCQ-LJQANCHMSA-N 1 2 357.410 2.955 20 5 FFBDLO CCc1ccc([C@@H](COC)[NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])o1 ZINC000541623377 517147418 /nfs/dbraw/zinc/14/74/18/517147418.db2.gz OFXFVQRMHBHRCY-CQSZACIVSA-N 1 2 361.398 2.974 20 5 FFBDLO Cc1cccc(NCC[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000552277596 517174597 /nfs/dbraw/zinc/17/45/97/517174597.db2.gz ZHAILTMCVVMRRL-GOSISDBHSA-N 1 2 366.425 2.823 20 5 FFBDLO O=C(CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccc2c(c1)OCCO2 ZINC000515196010 517248817 /nfs/dbraw/zinc/24/88/17/517248817.db2.gz RLEYEMWLCIEFIT-UHFFFAOYSA-N 1 2 368.389 2.997 20 5 FFBDLO O=C(CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccc2c(c1)OCCO2 ZINC000515196010 517248829 /nfs/dbraw/zinc/24/88/29/517248829.db2.gz RLEYEMWLCIEFIT-UHFFFAOYSA-N 1 2 368.389 2.997 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000542278874 517482013 /nfs/dbraw/zinc/48/20/13/517482013.db2.gz UHIXWELASIXHRX-KRWDZBQOSA-N 1 2 361.423 2.601 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000542278874 517482017 /nfs/dbraw/zinc/48/20/17/517482017.db2.gz UHIXWELASIXHRX-KRWDZBQOSA-N 1 2 361.423 2.601 20 5 FFBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1c[nH]c3cc([N+](=O)[O-])ccc13)CCC2 ZINC000533559571 517524510 /nfs/dbraw/zinc/52/45/10/517524510.db2.gz SCWZYAWYQOTWJF-GFCCVEGCSA-N 1 2 353.382 2.888 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1 ZINC000549376810 517532429 /nfs/dbraw/zinc/53/24/29/517532429.db2.gz GOXYACFPMAXBNC-UHFFFAOYSA-N 1 2 355.354 2.798 20 5 FFBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000538271446 517534180 /nfs/dbraw/zinc/53/41/80/517534180.db2.gz ONNFJJCLSOWBOT-ZDUSSCGKSA-N 1 2 367.471 2.546 20 5 FFBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000538271446 517534191 /nfs/dbraw/zinc/53/41/91/517534191.db2.gz ONNFJJCLSOWBOT-ZDUSSCGKSA-N 1 2 367.471 2.546 20 5 FFBDLO CCCc1n[nH]c(C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)c1[N+](=O)[O-] ZINC000538652514 517703985 /nfs/dbraw/zinc/70/39/85/517703985.db2.gz MTPSIUJSVQFLIZ-UHFFFAOYSA-N 1 2 354.370 2.591 20 5 FFBDLO Cn1c[nH+]cc1Cc1noc(-c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000546540499 517716757 /nfs/dbraw/zinc/71/67/57/517716757.db2.gz UNDZBUUOWNQDJF-UHFFFAOYSA-N 1 2 353.260 2.988 20 5 FFBDLO O=C(COc1ccccc1-n1cc[nH+]c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000530717238 517937387 /nfs/dbraw/zinc/93/73/87/517937387.db2.gz ATCODJPRJQIPIR-UHFFFAOYSA-N 1 2 364.361 2.749 20 5 FFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000563499446 517938665 /nfs/dbraw/zinc/93/86/65/517938665.db2.gz FQVZJCNBEXRKCH-IBGZPJMESA-N 1 2 360.385 2.867 20 5 FFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000563499446 517938677 /nfs/dbraw/zinc/93/86/77/517938677.db2.gz FQVZJCNBEXRKCH-IBGZPJMESA-N 1 2 360.385 2.867 20 5 FFBDLO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H](C)CS(C)(=O)=O ZINC000517018129 517978314 /nfs/dbraw/zinc/97/83/14/517978314.db2.gz OJINPCOWUZMGQU-JTQLQIEISA-N 1 2 368.377 2.869 20 5 FFBDLO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H](C)CS(C)(=O)=O ZINC000517018129 517978322 /nfs/dbraw/zinc/97/83/22/517978322.db2.gz OJINPCOWUZMGQU-JTQLQIEISA-N 1 2 368.377 2.869 20 5 FFBDLO CCOc1ccc(-c2nc([C@H]3C[N@@H+](C4CC4)CCO3)no2)cc1[N+](=O)[O-] ZINC000547206724 518022699 /nfs/dbraw/zinc/02/26/99/518022699.db2.gz WVLDLGVTHRFLBL-OAHLLOKOSA-N 1 2 360.370 2.579 20 5 FFBDLO CCOc1ccc(-c2nc([C@H]3C[N@H+](C4CC4)CCO3)no2)cc1[N+](=O)[O-] ZINC000547206724 518022703 /nfs/dbraw/zinc/02/27/03/518022703.db2.gz WVLDLGVTHRFLBL-OAHLLOKOSA-N 1 2 360.370 2.579 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(Nc2ccccn2)CC1 ZINC000534861855 518059680 /nfs/dbraw/zinc/05/96/80/518059680.db2.gz BYNNNZVBQRPEST-AWEZNQCLSA-N 1 2 369.425 2.893 20 5 FFBDLO CC(C)Cn1cc[nH+]c1CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000567006933 518306635 /nfs/dbraw/zinc/30/66/35/518306635.db2.gz OPMPRCAZXOMUFU-UHFFFAOYSA-N 1 2 373.413 2.552 20 5 FFBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc([C@H]2C[N@H+](C)CCN2C)no1 ZINC000564247424 518367655 /nfs/dbraw/zinc/36/76/55/518367655.db2.gz WYZICCVRFWTHOB-GDBMZVCRSA-N 1 2 359.430 2.632 20 5 FFBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc([C@H]2C[N@@H+](C)CCN2C)no1 ZINC000564247424 518367664 /nfs/dbraw/zinc/36/76/64/518367664.db2.gz WYZICCVRFWTHOB-GDBMZVCRSA-N 1 2 359.430 2.632 20 5 FFBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC(F)(F)c2ccccc2)c1 ZINC000573111954 518512829 /nfs/dbraw/zinc/51/28/29/518512829.db2.gz XAGDQWWJLGGJGA-OAHLLOKOSA-N 1 2 352.337 2.716 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](Cc1ccccc1)[C@@]1(CO)CCOC1 ZINC000585718559 518574135 /nfs/dbraw/zinc/57/41/35/518574135.db2.gz LQIHEYFHNYVNMV-HXUWFJFHSA-N 1 2 372.421 2.757 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](Cc1ccccc1)[C@@]1(CO)CCOC1 ZINC000585718559 518574143 /nfs/dbraw/zinc/57/41/43/518574143.db2.gz LQIHEYFHNYVNMV-HXUWFJFHSA-N 1 2 372.421 2.757 20 5 FFBDLO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)s1)c1ccccc1[N+](=O)[O-] ZINC000579624951 518770939 /nfs/dbraw/zinc/77/09/39/518770939.db2.gz IBLZJPWBSHHMCC-LLVKDONJSA-N 1 2 369.468 2.757 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](c3cccnc3)C2)c([N+](=O)[O-])c1 ZINC000570798235 518785719 /nfs/dbraw/zinc/78/57/19/518785719.db2.gz VWUHWBWWNQIKFU-HNNXBMFYSA-N 1 2 370.409 2.817 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](c3cccnc3)C2)c([N+](=O)[O-])c1 ZINC000570798235 518785726 /nfs/dbraw/zinc/78/57/26/518785726.db2.gz VWUHWBWWNQIKFU-HNNXBMFYSA-N 1 2 370.409 2.817 20 5 FFBDLO CC(C)c1ccc(C[N@@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000567966101 518804479 /nfs/dbraw/zinc/80/44/79/518804479.db2.gz OONPLVONRRKXLE-HNNXBMFYSA-N 1 2 369.487 2.574 20 5 FFBDLO CC(C)c1ccc(C[N@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000567966101 518804484 /nfs/dbraw/zinc/80/44/84/518804484.db2.gz OONPLVONRRKXLE-HNNXBMFYSA-N 1 2 369.487 2.574 20 5 FFBDLO COC(=O)C[C@](C)([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccncc1 ZINC000589163440 518935160 /nfs/dbraw/zinc/93/51/60/518935160.db2.gz BYGJAZAYKYDMQV-SFHVURJKSA-N 1 2 359.382 2.567 20 5 FFBDLO CC1(C(N)=O)C[NH+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000568513048 519077742 /nfs/dbraw/zinc/07/77/42/519077742.db2.gz XFLIWXSAVJKSON-UHFFFAOYSA-N 1 2 359.357 2.833 20 5 FFBDLO C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC2(CCC2)O1 ZINC000578238430 519492479 /nfs/dbraw/zinc/49/24/79/519492479.db2.gz BBGHZXJJYCBZCP-CYBMUJFWSA-N 1 2 356.382 2.564 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3cccnc3)C2)c([N+](=O)[O-])c1 ZINC000602854094 519926924 /nfs/dbraw/zinc/92/69/24/519926924.db2.gz MQNNIVAMEMSXER-HNNXBMFYSA-N 1 2 370.409 2.817 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3cccnc3)C2)c([N+](=O)[O-])c1 ZINC000602854094 519926928 /nfs/dbraw/zinc/92/69/28/519926928.db2.gz MQNNIVAMEMSXER-HNNXBMFYSA-N 1 2 370.409 2.817 20 5 FFBDLO C[C@@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000594508756 520008551 /nfs/dbraw/zinc/00/85/51/520008551.db2.gz BXYDYPBXSTWJEN-XJKSGUPXSA-N 1 2 374.441 2.985 20 5 FFBDLO Cc1nn(CCC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c(C)c1[N+](=O)[O-] ZINC000608803768 520133806 /nfs/dbraw/zinc/13/38/06/520133806.db2.gz YFKLZNLANGCDSD-UHFFFAOYSA-N 1 2 354.370 2.623 20 5 FFBDLO Cc1nn(CCC(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)c(C)c1[N+](=O)[O-] ZINC000608810727 520135047 /nfs/dbraw/zinc/13/50/47/520135047.db2.gz LXUIBXRNNBKOBO-UHFFFAOYSA-N 1 2 354.370 2.827 20 5 FFBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000609025327 520180437 /nfs/dbraw/zinc/18/04/37/520180437.db2.gz NUBXDQCTPBMOCG-CQSZACIVSA-N 1 2 353.382 2.679 20 5 FFBDLO O=C(NC1CC1)[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000592141922 520218922 /nfs/dbraw/zinc/21/89/22/520218922.db2.gz UTOXXKFTMDWEGB-IBGZPJMESA-N 1 2 351.406 2.800 20 5 FFBDLO O=C(NC1CC1)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000592141922 520218926 /nfs/dbraw/zinc/21/89/26/520218926.db2.gz UTOXXKFTMDWEGB-IBGZPJMESA-N 1 2 351.406 2.800 20 5 FFBDLO COCc1n[nH]c(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)n1 ZINC000594969096 520234954 /nfs/dbraw/zinc/23/49/54/520234954.db2.gz MJKHWZWVPIUGNT-UHFFFAOYSA-N 1 2 359.411 2.878 20 5 FFBDLO CCn1c2ccc(F)cc2[nH+]c1NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000613256191 520412634 /nfs/dbraw/zinc/41/26/34/520412634.db2.gz OSABRDJFHRHUSZ-UHFFFAOYSA-N 1 2 372.356 2.909 20 5 FFBDLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609724690 520414688 /nfs/dbraw/zinc/41/46/88/520414688.db2.gz HNJRSHAMSFXLCO-UHFFFAOYSA-N 1 2 359.357 2.818 20 5 FFBDLO C[C@](CO)([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 ZINC000609806742 520440249 /nfs/dbraw/zinc/44/02/49/520440249.db2.gz JRTZGORGTXQLNO-GOSISDBHSA-N 1 2 354.366 2.642 20 5 FFBDLO C[C@H](c1nccs1)[NH+]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000613333154 520452788 /nfs/dbraw/zinc/45/27/88/520452788.db2.gz PCHBYCKPLCRCRJ-GFCCVEGCSA-N 1 2 370.438 2.878 20 5 FFBDLO CC1(C)[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1(F)F ZINC000598337196 520563048 /nfs/dbraw/zinc/56/30/48/520563048.db2.gz NLAXIGYOXPJFAZ-ZDUSSCGKSA-N 1 2 350.325 2.802 20 5 FFBDLO CC1(CC(F)F)CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000592834705 520608307 /nfs/dbraw/zinc/60/83/07/520608307.db2.gz HCIFNKWPPOBBSA-UHFFFAOYSA-N 1 2 350.325 2.898 20 5 FFBDLO C[C@@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000598459299 520628670 /nfs/dbraw/zinc/62/86/70/520628670.db2.gz HEKVMINDPMLWBF-SNVBAGLBSA-N 1 2 352.778 2.628 20 5 FFBDLO C[C@](CO)([NH2+]Cc1ncc(Br)s1)c1cccc([N+](=O)[O-])c1 ZINC000601150528 520661354 /nfs/dbraw/zinc/66/13/54/520661354.db2.gz YWQDLKZCGKPAQJ-CYBMUJFWSA-N 1 2 372.244 2.811 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1N(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1(C)C ZINC000601169988 520670818 /nfs/dbraw/zinc/67/08/18/520670818.db2.gz INFCKVLGFZPXGU-JTQLQIEISA-N 1 2 358.324 2.668 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H]2c2cn(C)nc2C)c1 ZINC000593014652 520683877 /nfs/dbraw/zinc/68/38/77/520683877.db2.gz BQVSTHKVTYQYLW-QGZVFWFLSA-N 1 2 358.398 2.760 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]2c2cn(C)nc2C)c1 ZINC000593014652 520683880 /nfs/dbraw/zinc/68/38/80/520683880.db2.gz BQVSTHKVTYQYLW-QGZVFWFLSA-N 1 2 358.398 2.760 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCC[C@H]2c2ccnn2C)c1 ZINC000593029853 520693890 /nfs/dbraw/zinc/69/38/90/520693890.db2.gz YSNZFNWTOODZEL-KRWDZBQOSA-N 1 2 358.398 2.842 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCCC[C@H]2c2ccnn2C)c1 ZINC000593029853 520693897 /nfs/dbraw/zinc/69/38/97/520693897.db2.gz YSNZFNWTOODZEL-KRWDZBQOSA-N 1 2 358.398 2.842 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](OC(C)C)C2)c([N+](=O)[O-])c1 ZINC000593055975 520714159 /nfs/dbraw/zinc/71/41/59/520714159.db2.gz WKAOFMUHDGDNII-DZGCQCFKSA-N 1 2 365.430 2.820 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](OC(C)C)C2)c([N+](=O)[O-])c1 ZINC000593055975 520714168 /nfs/dbraw/zinc/71/41/68/520714168.db2.gz WKAOFMUHDGDNII-DZGCQCFKSA-N 1 2 365.430 2.820 20 5 FFBDLO C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccncc1 ZINC000610526128 520726648 /nfs/dbraw/zinc/72/66/48/520726648.db2.gz ITSICJHXMUAOBZ-CYBMUJFWSA-N 1 2 351.366 2.709 20 5 FFBDLO Cc1cc(S(=O)(=O)N2CC[N@@H+](C)Cc3ccccc32)c([N+](=O)[O-])s1 ZINC000601336562 520745949 /nfs/dbraw/zinc/74/59/49/520745949.db2.gz DQFMULRYBQNZKN-UHFFFAOYSA-N 1 2 367.452 2.605 20 5 FFBDLO Cc1cc(S(=O)(=O)N2CC[N@H+](C)Cc3ccccc32)c([N+](=O)[O-])s1 ZINC000601336562 520745956 /nfs/dbraw/zinc/74/59/56/520745956.db2.gz DQFMULRYBQNZKN-UHFFFAOYSA-N 1 2 367.452 2.605 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000595834057 520755685 /nfs/dbraw/zinc/75/56/85/520755685.db2.gz XXYHAYYSLFTFHW-MRXNPFEDSA-N 1 2 371.393 2.695 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](Oc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000595834057 520755692 /nfs/dbraw/zinc/75/56/92/520755692.db2.gz XXYHAYYSLFTFHW-MRXNPFEDSA-N 1 2 371.393 2.695 20 5 FFBDLO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCc1ccc(N2CCCC2)[nH+]c1 ZINC000593397355 520965252 /nfs/dbraw/zinc/96/52/52/520965252.db2.gz MGXISXXYFUVQQB-UHFFFAOYSA-N 1 2 358.373 2.588 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCO[C@H](C(F)F)CC3)n2)cc1 ZINC000601977191 521052911 /nfs/dbraw/zinc/05/29/11/521052911.db2.gz SAAAOGLEPWDASA-LBPRGKRZSA-N 1 2 354.313 2.501 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCO[C@H](C(F)F)CC3)n2)cc1 ZINC000601977191 521052926 /nfs/dbraw/zinc/05/29/26/521052926.db2.gz SAAAOGLEPWDASA-LBPRGKRZSA-N 1 2 354.313 2.501 20 5 FFBDLO O=C(Cc1cn2c([nH+]1)CCCC2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000593541415 521063122 /nfs/dbraw/zinc/06/31/22/521063122.db2.gz BGXFPNJUBGUUSI-UHFFFAOYSA-N 1 2 354.410 2.861 20 5 FFBDLO COc1cc(NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)c([N+](=O)[O-])cc1C ZINC000599185857 521076881 /nfs/dbraw/zinc/07/68/81/521076881.db2.gz YVVODWUOYVKSSO-MRXNPFEDSA-N 1 2 372.425 2.620 20 5 FFBDLO COc1cc(NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)c([N+](=O)[O-])cc1C ZINC000599185857 521076886 /nfs/dbraw/zinc/07/68/86/521076886.db2.gz YVVODWUOYVKSSO-MRXNPFEDSA-N 1 2 372.425 2.620 20 5 FFBDLO CC1(C)C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H]1c1ccncc1 ZINC000596590247 521151086 /nfs/dbraw/zinc/15/10/86/521151086.db2.gz FEJISMBRDYMAMB-LJQANCHMSA-N 1 2 366.421 2.962 20 5 FFBDLO CC1(C)C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H]1c1ccncc1 ZINC000596590247 521151090 /nfs/dbraw/zinc/15/10/90/521151090.db2.gz FEJISMBRDYMAMB-LJQANCHMSA-N 1 2 366.421 2.962 20 5 FFBDLO CC1(C)C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccncc1 ZINC000596593678 521151962 /nfs/dbraw/zinc/15/19/62/521151962.db2.gz QWSHXWOADGGHJM-IBGZPJMESA-N 1 2 366.421 2.962 20 5 FFBDLO CC1(C)C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccncc1 ZINC000596593678 521151970 /nfs/dbraw/zinc/15/19/70/521151970.db2.gz QWSHXWOADGGHJM-IBGZPJMESA-N 1 2 366.421 2.962 20 5 FFBDLO Cc1c(CN2CCc3[nH+]c[nH]c3[C@H]2c2ccnn2C)cccc1[N+](=O)[O-] ZINC000599444574 521230546 /nfs/dbraw/zinc/23/05/46/521230546.db2.gz JYCWWNUDRPTDQL-GOSISDBHSA-N 1 2 352.398 2.508 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000611579182 521232505 /nfs/dbraw/zinc/23/25/05/521232505.db2.gz SPSBNXPTJCZRED-JQWIXIFHSA-N 1 2 373.356 2.634 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000611579182 521232513 /nfs/dbraw/zinc/23/25/13/521232513.db2.gz SPSBNXPTJCZRED-JQWIXIFHSA-N 1 2 373.356 2.634 20 5 FFBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000599464983 521240244 /nfs/dbraw/zinc/24/02/44/521240244.db2.gz ZJPCIEUGIMIKQC-GFCCVEGCSA-N 1 2 373.862 2.543 20 5 FFBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000599464983 521240250 /nfs/dbraw/zinc/24/02/50/521240250.db2.gz ZJPCIEUGIMIKQC-GFCCVEGCSA-N 1 2 373.862 2.543 20 5 FFBDLO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602442029 521346923 /nfs/dbraw/zinc/34/69/23/521346923.db2.gz IXLNLJMCSBEGOR-JGVFFNPUSA-N 1 2 362.249 2.505 20 5 FFBDLO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602442029 521346928 /nfs/dbraw/zinc/34/69/28/521346928.db2.gz IXLNLJMCSBEGOR-JGVFFNPUSA-N 1 2 362.249 2.505 20 5 FFBDLO CCOc1cc(C[N@H+](C)Cc2cn(C)nc2[N+](=O)[O-])ccc1OC(F)F ZINC000602438888 521347170 /nfs/dbraw/zinc/34/71/70/521347170.db2.gz BZBQBFRQBAVRHV-UHFFFAOYSA-N 1 2 370.356 2.960 20 5 FFBDLO CCOc1cc(C[N@@H+](C)Cc2cn(C)nc2[N+](=O)[O-])ccc1OC(F)F ZINC000602438888 521347174 /nfs/dbraw/zinc/34/71/74/521347174.db2.gz BZBQBFRQBAVRHV-UHFFFAOYSA-N 1 2 370.356 2.960 20 5 FFBDLO COc1ccccc1C[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000602450440 521354090 /nfs/dbraw/zinc/35/40/90/521354090.db2.gz VNSBSOUCJVYPPQ-MRXNPFEDSA-N 1 2 360.414 2.518 20 5 FFBDLO COc1ccccc1C[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000602450440 521354098 /nfs/dbraw/zinc/35/40/98/521354098.db2.gz VNSBSOUCJVYPPQ-MRXNPFEDSA-N 1 2 360.414 2.518 20 5 FFBDLO Cc1cn2c([nH+]1)C[C@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC000599739514 521439626 /nfs/dbraw/zinc/43/96/26/521439626.db2.gz MPQCNJIKBUVFGP-CYBMUJFWSA-N 1 2 362.817 2.674 20 5 FFBDLO Cc1cccn2cc(CCNc3ccc([N+](=O)[O-])cc3S(C)(=O)=O)[nH+]c12 ZINC000615703186 521507342 /nfs/dbraw/zinc/50/73/42/521507342.db2.gz QBPBCZJPKIAPRJ-UHFFFAOYSA-N 1 2 374.422 2.609 20 5 FFBDLO CCC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@H](C)C(=O)Nc1ccccc1C ZINC000602820657 521550829 /nfs/dbraw/zinc/55/08/29/521550829.db2.gz IVKDQEXDWXIFJF-CQSZACIVSA-N 1 2 359.430 2.876 20 5 FFBDLO CCC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@H](C)C(=O)Nc1ccccc1C ZINC000602820657 521550835 /nfs/dbraw/zinc/55/08/35/521550835.db2.gz IVKDQEXDWXIFJF-CQSZACIVSA-N 1 2 359.430 2.876 20 5 FFBDLO CCOc1cc(C(=O)Nc2cc(N(C)C)cc[nH+]2)c([N+](=O)[O-])cc1OC ZINC000612345750 521585375 /nfs/dbraw/zinc/58/53/75/521585375.db2.gz JTUQPESQQSYRIZ-UHFFFAOYSA-N 1 2 360.370 2.715 20 5 FFBDLO COC(=O)c1cnc(NCCNc2ccc3ccccc3[nH+]2)c([N+](=O)[O-])c1 ZINC000478296147 561163800 /nfs/dbraw/zinc/16/38/00/561163800.db2.gz VHVSNXSTTJHCEK-UHFFFAOYSA-N 1 2 367.365 2.849 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000736650231 598314799 /nfs/dbraw/zinc/31/47/99/598314799.db2.gz CJAOPLXHABZMSX-UHFFFAOYSA-N 1 2 372.360 2.603 20 5 FFBDLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000745086136 735396908 /nfs/dbraw/zinc/39/69/08/735396908.db2.gz JTJRGRHLYRSGTO-CQSZACIVSA-N 1 2 369.805 2.604 20 5 FFBDLO CC[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000745086136 735396914 /nfs/dbraw/zinc/39/69/14/735396914.db2.gz JTJRGRHLYRSGTO-CQSZACIVSA-N 1 2 369.805 2.604 20 5 FFBDLO O=[N+]([O-])c1c(Br)cccc1N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000856761410 730355583 /nfs/dbraw/zinc/35/55/83/730355583.db2.gz BQOWHLOGZYEQNE-GFCCVEGCSA-N 1 2 370.247 2.658 20 5 FFBDLO Cc1nn(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000863301389 730765973 /nfs/dbraw/zinc/76/59/73/730765973.db2.gz DCMGXCBSOQJSMT-RISCZKNCSA-N 1 2 352.435 2.665 20 5 FFBDLO Cc1nn(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000863301389 730765974 /nfs/dbraw/zinc/76/59/74/730765974.db2.gz DCMGXCBSOQJSMT-RISCZKNCSA-N 1 2 352.435 2.665 20 5 FFBDLO C[C@@H]([NH2+]Cc1cccc(S(C)(=O)=O)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872075293 731727337 /nfs/dbraw/zinc/72/73/37/731727337.db2.gz BZQWRIZPMQSDNF-LLVKDONJSA-N 1 2 352.387 2.988 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CCO[C@@H](C(F)F)CC3)c2)cc1 ZINC000872680007 731812905 /nfs/dbraw/zinc/81/29/05/731812905.db2.gz ZBXDSZJWJWJLRU-OAHLLOKOSA-N 1 2 352.341 2.772 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3CCO[C@@H](C(F)F)CC3)c2)cc1 ZINC000872680007 731812909 /nfs/dbraw/zinc/81/29/09/731812909.db2.gz ZBXDSZJWJWJLRU-OAHLLOKOSA-N 1 2 352.341 2.772 20 5 FFBDLO C[NH+](C)Cc1csc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000927767881 738780680 /nfs/dbraw/zinc/78/06/80/738780680.db2.gz DKABCBAEYGTSNA-UHFFFAOYSA-N 1 2 362.455 2.707 20 5 FFBDLO C[N@@H+]1CCc2nc(NC(=O)[C@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)sc2C1 ZINC000891637898 734455133 /nfs/dbraw/zinc/45/51/33/734455133.db2.gz DCOUVHVEXXSEJE-STQMWFEESA-N 1 2 358.423 2.781 20 5 FFBDLO C[N@H+]1CCc2nc(NC(=O)[C@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)sc2C1 ZINC000891637898 734455134 /nfs/dbraw/zinc/45/51/34/734455134.db2.gz DCOUVHVEXXSEJE-STQMWFEESA-N 1 2 358.423 2.781 20 5 FFBDLO C[NH+]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2Cl)CC1 ZINC000749223324 735705315 /nfs/dbraw/zinc/70/53/15/735705315.db2.gz MDHMPXWNDLQHDY-UHFFFAOYSA-N 1 2 363.805 2.580 20 5 FFBDLO COc1cc([C@H](C)[NH2+]Cc2nc(CN(C)C)cs2)cc([N+](=O)[O-])c1 ZINC000903220297 736057868 /nfs/dbraw/zinc/05/78/68/736057868.db2.gz KXFWACHJUFSCAO-NSHDSACASA-N 1 2 350.444 2.972 20 5 FFBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000754989494 736223417 /nfs/dbraw/zinc/22/34/17/736223417.db2.gz RZEJODOGLUJOIX-QMMMGPOBSA-N 1 2 371.166 2.511 20 5 FFBDLO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000768554527 737432710 /nfs/dbraw/zinc/43/27/10/737432710.db2.gz JBIWQEMLZIKHGB-NSHDSACASA-N 1 2 365.739 2.843 20 5 FFBDLO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000768554527 737432714 /nfs/dbraw/zinc/43/27/14/737432714.db2.gz JBIWQEMLZIKHGB-NSHDSACASA-N 1 2 365.739 2.843 20 5 FFBDLO O=C(OCCn1cc[nH+]c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000771919883 737766450 /nfs/dbraw/zinc/76/64/50/737766450.db2.gz WIOYOKSCQMORLK-UHFFFAOYSA-N 1 2 359.260 2.589 20 5 FFBDLO C[N@H+](CCOc1ccccc1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000917614091 737768081 /nfs/dbraw/zinc/76/80/81/737768081.db2.gz XJFGAVFYPDSEJB-UHFFFAOYSA-N 1 2 355.192 2.522 20 5 FFBDLO C[N@@H+](CCOc1ccccc1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000917614091 737768085 /nfs/dbraw/zinc/76/80/85/737768085.db2.gz XJFGAVFYPDSEJB-UHFFFAOYSA-N 1 2 355.192 2.522 20 5 FFBDLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)[C@@H]1C ZINC000787421756 739135438 /nfs/dbraw/zinc/13/54/38/739135438.db2.gz UYKJXUIWBLQRHR-MWLCHTKSSA-N 1 2 357.204 2.741 20 5 FFBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)[C@@H]1C ZINC000787421756 739135440 /nfs/dbraw/zinc/13/54/40/739135440.db2.gz UYKJXUIWBLQRHR-MWLCHTKSSA-N 1 2 357.204 2.741 20 5 FFBDLO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCCCCn1cc[nH+]c1 ZINC000790561396 739469640 /nfs/dbraw/zinc/46/96/40/739469640.db2.gz UMWVKIKVXYEHBU-UHFFFAOYSA-N 1 2 354.769 2.723 20 5 FFBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC001005377364 742252963 /nfs/dbraw/zinc/25/29/63/742252963.db2.gz CWMPRIUUXBLHFQ-MLGOLLRUSA-N 1 2 369.824 2.567 20 5 FFBDLO C[C@@H](CO)C1CC[NH+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000844417030 748025434 /nfs/dbraw/zinc/02/54/34/748025434.db2.gz RKJJHXUBTNRZFW-RYUDHWBXSA-N 1 2 369.849 2.916 20 5 FFBDLO C[C@@H](CC(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000845281083 748218894 /nfs/dbraw/zinc/21/88/94/748218894.db2.gz ZMZZRWRDFDBENW-JTQLQIEISA-N 1 2 366.761 2.578 20 5 FFBDLO C[C@H]1CC[N@H+](CC(=O)N[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)C1 ZINC000848224172 748880231 /nfs/dbraw/zinc/88/02/31/748880231.db2.gz LLFCTEUWJHXWTD-LKFCYVNXSA-N 1 2 363.311 2.795 20 5 FFBDLO C[C@H]1CC[N@@H+](CC(=O)N[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)C1 ZINC000848224172 748880234 /nfs/dbraw/zinc/88/02/34/748880234.db2.gz LLFCTEUWJHXWTD-LKFCYVNXSA-N 1 2 363.311 2.795 20 5 FFBDLO Cc1noc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000852216719 749805757 /nfs/dbraw/zinc/80/57/57/749805757.db2.gz LEYGDWJPGALNBE-PWSUYJOCSA-N 1 2 354.407 2.769 20 5 FFBDLO Cc1noc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000852216719 749805763 /nfs/dbraw/zinc/80/57/63/749805763.db2.gz LEYGDWJPGALNBE-PWSUYJOCSA-N 1 2 354.407 2.769 20 5 FFBDLO COc1c(O)ccc(C[N@H+]2Cc3cccnc3N3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000895826353 970974540 /nfs/dbraw/zinc/97/45/40/970974540.db2.gz RJNNOTPXGRRRQJ-OAHLLOKOSA-N 1 2 370.409 2.689 20 5 FFBDLO COc1c(O)ccc(C[N@@H+]2Cc3cccnc3N3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000895826353 970974550 /nfs/dbraw/zinc/97/45/50/970974550.db2.gz RJNNOTPXGRRRQJ-OAHLLOKOSA-N 1 2 370.409 2.689 20 5 FFBDLO Cc1nn(C[N@@H+]2CC[C@@H](C(F)(F)F)O[C@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000872816782 1013266655 /nfs/dbraw/zinc/26/66/55/1013266655.db2.gz OFOZPUCFKSMQCB-RNCFNFMXSA-N 1 2 373.335 2.647 20 5 FFBDLO Cc1nn(C[N@H+]2CC[C@@H](C(F)(F)F)O[C@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000872816782 1013266658 /nfs/dbraw/zinc/26/66/58/1013266658.db2.gz OFOZPUCFKSMQCB-RNCFNFMXSA-N 1 2 373.335 2.647 20 5 FFBDLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@@H]([C@@H]2CCCO2)C1 ZINC000933180871 963676403 /nfs/dbraw/zinc/67/64/03/963676403.db2.gz NUTNBYFQSRWPFQ-JLZZUVOBSA-N 1 2 366.389 2.667 20 5 FFBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@@H]([C@@H]2CCCO2)C1 ZINC000933180871 963676406 /nfs/dbraw/zinc/67/64/06/963676406.db2.gz NUTNBYFQSRWPFQ-JLZZUVOBSA-N 1 2 366.389 2.667 20 5 FFBDLO O=[N+]([O-])c1ccc(F)c(Nc2ccc(N3CC[NH+](C4COC4)CC3)cc2)c1 ZINC001175737034 1013546728 /nfs/dbraw/zinc/54/67/28/1013546728.db2.gz IDCJXOVGQWRPDB-UHFFFAOYSA-N 1 2 372.400 2.998 20 5 FFBDLO CCOc1cc(N2CC[NH+](Cc3[nH]nc(C)c3C)CC2)ccc1[N+](=O)[O-] ZINC000894614121 965523239 /nfs/dbraw/zinc/52/32/39/965523239.db2.gz NJRHIUOCSIDLNW-UHFFFAOYSA-N 1 2 359.430 2.656 20 5 FFBDLO COc1cccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1C ZINC001167681231 968534474 /nfs/dbraw/zinc/53/44/74/968534474.db2.gz VFUWVJRHOWBCNG-UHFFFAOYSA-N 1 2 369.421 2.870 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000898392936 976414708 /nfs/dbraw/zinc/41/47/08/976414708.db2.gz ZBSUSYPDAYEUFD-CEXWTWQISA-N 1 2 364.405 2.666 20 5 FFBDLO O=C(OC[C@H]1Cc2ccccc2O1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178793134 977962442 /nfs/dbraw/zinc/96/24/42/977962442.db2.gz UKTWBDONNNUTGF-OAHLLOKOSA-N 1 2 365.345 2.941 20 5 FFBDLO COc1cccc(CNC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000130166806 981193108 /nfs/dbraw/zinc/19/31/08/981193108.db2.gz HVPDCGDTDAPOFX-UHFFFAOYSA-N 1 2 369.421 2.884 20 5 FFBDLO COc1cccc(CNC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000130166806 981193113 /nfs/dbraw/zinc/19/31/13/981193113.db2.gz HVPDCGDTDAPOFX-UHFFFAOYSA-N 1 2 369.421 2.884 20 5 FFBDLO C[C@H](NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000455109880 989209686 /nfs/dbraw/zinc/20/96/86/989209686.db2.gz PMBXTLJSBQQZQV-DZGCQCFKSA-N 1 2 357.414 2.979 20 5 FFBDLO C[C@H]1C[C@@H]1c1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n[nH]1 ZINC000194594070 990350173 /nfs/dbraw/zinc/35/01/73/990350173.db2.gz YVXHSIDCRKZWAT-JQWIXIFHSA-N 1 2 352.354 2.879 20 5 FFBDLO CN(C)[C@@H](C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1c[nH+]cn1C ZINC000803614951 1015990965 /nfs/dbraw/zinc/99/09/65/1015990965.db2.gz CEILGDGSDWXIFW-MRXNPFEDSA-N 1 2 359.430 2.867 20 5 FFBDLO CCCCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(=O)OC ZINC000826728952 1016039824 /nfs/dbraw/zinc/03/98/24/1016039824.db2.gz VHJCLTMMEKPDNI-CQSZACIVSA-N 1 2 374.397 2.632 20 5 FFBDLO CCn1cc(C[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C(C)C)cn1 ZINC000844736421 998132465 /nfs/dbraw/zinc/13/24/65/998132465.db2.gz AMCSABLYJIPVDR-UHFFFAOYSA-N 1 2 369.429 2.938 20 5 FFBDLO CCn1cc(C[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C(C)C)cn1 ZINC000844736421 998132471 /nfs/dbraw/zinc/13/24/71/998132471.db2.gz AMCSABLYJIPVDR-UHFFFAOYSA-N 1 2 369.429 2.938 20 5 FFBDLO Cc1ccc(-c2noc(-c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)n2)c(=O)[nH]1 ZINC000771131038 1001022616 /nfs/dbraw/zinc/02/26/16/1001022616.db2.gz JLMZSUAUIGDMSM-UHFFFAOYSA-N 1 2 364.321 2.907 20 5 FFBDLO O=c1ccc(-c2noc(-c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)n2)c[nH]1 ZINC000771186610 1001039138 /nfs/dbraw/zinc/03/91/38/1001039138.db2.gz KDLGFDUWRJUCAS-UHFFFAOYSA-N 1 2 350.294 2.598 20 5 FFBDLO O=C1OCCN1[C@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000826995723 1016486176 /nfs/dbraw/zinc/48/61/76/1016486176.db2.gz ZWVLWPOMOGCLHF-HNNXBMFYSA-N 1 2 374.422 2.745 20 5 FFBDLO O=C1OCCN1[C@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000826995723 1016486181 /nfs/dbraw/zinc/48/61/81/1016486181.db2.gz ZWVLWPOMOGCLHF-HNNXBMFYSA-N 1 2 374.422 2.745 20 5 FFBDLO CC(C)c1nc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)no1 ZINC000785677445 1001466526 /nfs/dbraw/zinc/46/65/26/1001466526.db2.gz 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ZINC001234801967 1037185404 /nfs/dbraw/zinc/18/54/04/1037185404.db2.gz VVXKJSSOOOHODM-LBPRGKRZSA-N 1 2 371.389 2.839 20 5 FFBDLO CC(=O)NCCn1c2ccccc2[nH+]c1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210395187 1039519035 /nfs/dbraw/zinc/51/90/35/1039519035.db2.gz QZTAUXBGJIJSFK-UHFFFAOYSA-N 1 2 355.354 2.530 20 5 FFBDLO O=C(c1cccs1)N1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254604056 1040835235 /nfs/dbraw/zinc/83/52/35/1040835235.db2.gz UADZKTZBGSOVGS-MRXNPFEDSA-N 1 2 357.435 2.582 20 5 FFBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC001310800810 1043742476 /nfs/dbraw/zinc/74/24/76/1043742476.db2.gz KBFAXFGKOXVQAS-RYUDHWBXSA-N 1 2 370.837 2.787 20 5 FFBDLO Cc1nn(C[NH+]2CCC([C@@H]3c4ccccc4NC3=O)CC2)c(C)c1[N+](=O)[O-] ZINC001318187745 1045237108 /nfs/dbraw/zinc/23/71/08/1045237108.db2.gz NGKRJMMSKVYPNZ-QGZVFWFLSA-N 1 2 369.425 2.814 20 5 FFBDLO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC001325302015 1046459017 /nfs/dbraw/zinc/45/90/17/1046459017.db2.gz AFNWUKLMCKXXJW-SNVBAGLBSA-N 1 2 374.788 2.580 20 5 FFBDLO O=C(c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)N1CC(n2cc[nH+]c2)C1 ZINC001293569304 1049582874 /nfs/dbraw/zinc/58/28/74/1049582874.db2.gz ZQFNHLDDRLHDOV-UHFFFAOYSA-N 1 2 359.144 2.934 20 5 FFBDLO C[C@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1O)[N@H+](C)Cc1ccccc1 ZINC001294427000 1049742846 /nfs/dbraw/zinc/74/28/46/1049742846.db2.gz IPUQDWBPZWHALM-CQSZACIVSA-N 1 2 357.410 2.941 20 5 FFBDLO C[C@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1O)[N@@H+](C)Cc1ccccc1 ZINC001294427000 1049742851 /nfs/dbraw/zinc/74/28/51/1049742851.db2.gz IPUQDWBPZWHALM-CQSZACIVSA-N 1 2 357.410 2.941 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCC[C@H]1[C@@H]1CCCO1 ZINC001348666640 1054850519 /nfs/dbraw/zinc/85/05/19/1054850519.db2.gz LZMTXHOOENTGKI-WMZOPIPTSA-N 1 2 370.409 2.954 20 5 FFBDLO O=C(OCCCc1cccnc1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001351174040 1056121833 /nfs/dbraw/zinc/12/18/33/1056121833.db2.gz QCIBRHMTBYKHMS-UHFFFAOYSA-N 1 2 352.350 2.965 20 5 FFBDLO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c2ccccc12)[C@@H]1CN(C)CC[N@@H+]1C ZINC001517886783 1058189953 /nfs/dbraw/zinc/18/99/53/1058189953.db2.gz BEPPJRRCCDGVEF-UGSOOPFHSA-N 1 2 371.441 2.504 20 5 FFBDLO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c2ccccc12)[C@@H]1CN(C)CC[N@H+]1C ZINC001517886783 1058189960 /nfs/dbraw/zinc/18/99/60/1058189960.db2.gz BEPPJRRCCDGVEF-UGSOOPFHSA-N 1 2 371.441 2.504 20 5 FFBDLO Nc1[nH+]ccc2c1CN(C(=O)C1(c3ccc([N+](=O)[O-])cc3)CCC1)CC2 ZINC001454539996 1059558047 /nfs/dbraw/zinc/55/80/47/1059558047.db2.gz LAVQWUKYGZJJON-UHFFFAOYSA-N 1 2 352.394 2.579 20 5 FFBDLO Cc1ccc(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)c(N(C)C)[nH+]1 ZINC001546063238 1059565526 /nfs/dbraw/zinc/56/55/26/1059565526.db2.gz KDXAZKQTYUHASA-UHFFFAOYSA-N 1 2 367.768 2.991 20 5 FFBDLO CCc1[nH]nc(C(=O)Nc2c[nH+]ccc2Nc2ccccc2)c1[N+](=O)[O-] ZINC001469690988 1064192772 /nfs/dbraw/zinc/19/27/72/1064192772.db2.gz UPXQQCWWJLDWEK-UHFFFAOYSA-N 1 2 352.354 2.693 20 5 FFBDLO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)o1 ZINC001473149202 1065208108 /nfs/dbraw/zinc/20/81/08/1065208108.db2.gz PTYUEZDAYVFJKL-WCQYABFASA-N 1 2 372.303 2.532 20 5 FFBDLO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)o1 ZINC001473149202 1065208115 /nfs/dbraw/zinc/20/81/15/1065208115.db2.gz PTYUEZDAYVFJKL-WCQYABFASA-N 1 2 372.303 2.532 20 5 FFBDLO C[C@@H]1Cc2n[nH]cc2C[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001473797520 1065367356 /nfs/dbraw/zinc/36/73/56/1065367356.db2.gz ROAYGZWRBTZKMD-SNVBAGLBSA-N 1 2 363.805 2.604 20 5 FFBDLO C[C@@H]1Cc2n[nH]cc2C[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001473797520 1065367364 /nfs/dbraw/zinc/36/73/64/1065367364.db2.gz ROAYGZWRBTZKMD-SNVBAGLBSA-N 1 2 363.805 2.604 20 5 FFBDLO C[C@@H]([NH2+][C@H](CO)c1cc(F)ccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001473884510 1065405675 /nfs/dbraw/zinc/40/56/75/1065405675.db2.gz KBXPLLVXZRQBLC-QLJPJBMISA-N 1 2 365.336 2.523 20 5 FFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2ncccn2)C1 ZINC001560151100 1076236935 /nfs/dbraw/zinc/23/69/35/1076236935.db2.gz WANMGYKWKVOHBY-KBPBESRZSA-N 1 2 355.398 2.591 20 5 FFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2ncccn2)C1 ZINC001560151100 1076236940 /nfs/dbraw/zinc/23/69/40/1076236940.db2.gz WANMGYKWKVOHBY-KBPBESRZSA-N 1 2 355.398 2.591 20 5 FFBDLO CS(=O)(=O)c1ccccc1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001560888339 1076306641 /nfs/dbraw/zinc/30/66/41/1076306641.db2.gz ZXKNUFAAMFOWOZ-UHFFFAOYSA-N 1 2 354.815 2.942 20 5 FFBDLO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC001566084071 1076890235 /nfs/dbraw/zinc/89/02/35/1076890235.db2.gz YYTLIGNYZNVUHM-UHFFFAOYSA-N 1 2 359.348 2.844 20 5 FFBDLO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC001566084071 1076890240 /nfs/dbraw/zinc/89/02/40/1076890240.db2.gz YYTLIGNYZNVUHM-UHFFFAOYSA-N 1 2 359.348 2.844 20 5 FFBDLO O=C(c1cc(-n2cc[nH+]c2)ccc1O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001587238165 1079760136 /nfs/dbraw/zinc/76/01/36/1079760136.db2.gz IMUGCMFCDPJLBK-UHFFFAOYSA-N 1 2 350.334 2.642 20 5 FFBDLO O=C(Nc1cccc2c1OCC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001587450243 1079794690 /nfs/dbraw/zinc/79/46/90/1079794690.db2.gz PKWZGIBPVKYQHA-UHFFFAOYSA-N 1 2 350.334 2.968 20 5 FFBDLO CC1(C)C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@@H]1c1ccncc1 ZINC001590104940 1081015401 /nfs/dbraw/zinc/01/54/01/1081015401.db2.gz ZOAKGEVFHADFCK-MRXNPFEDSA-N 1 2 365.397 2.753 20 5 FFBDLO CC1(C)C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@@H]1c1ccncc1 ZINC001590104940 1081015409 /nfs/dbraw/zinc/01/54/09/1081015409.db2.gz ZOAKGEVFHADFCK-MRXNPFEDSA-N 1 2 365.397 2.753 20 5 FFBDLO COc1cc(C(=O)NCc2ccccc2-n2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000101654953 250085398 /nfs/dbraw/zinc/08/53/98/250085398.db2.gz RQZDYLFDVSXKOF-UHFFFAOYSA-N 1 2 352.350 2.719 20 5 FFBDLO C[C@H]1CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000272389813 252026444 /nfs/dbraw/zinc/02/64/44/252026444.db2.gz UDBPMYHJLKVCBK-IINYFYTJSA-N 1 2 372.410 2.519 20 5 FFBDLO O=C(N1CCC[C@H](c2[nH]cc[nH+]2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272399384 252029928 /nfs/dbraw/zinc/02/99/28/252029928.db2.gz AHSMQMJIHCOBOJ-NSHDSACASA-N 1 2 350.325 2.816 20 5 FFBDLO O=C(C[NH+]1CCC(CCCO)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272769127 252126802 /nfs/dbraw/zinc/12/68/02/252126802.db2.gz APQLWNALZXRKRJ-UHFFFAOYSA-N 1 2 355.822 2.671 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccccc1CC[NH+](C)C ZINC000275701541 256039895 /nfs/dbraw/zinc/03/98/95/256039895.db2.gz JQLOLGYZLFCKCT-UHFFFAOYSA-N 1 2 363.439 2.808 20 5 FFBDLO COC(=O)[C@@H]1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C ZINC000276911752 256141492 /nfs/dbraw/zinc/14/14/92/256141492.db2.gz NQHUUQIZPCZYSY-MLGOLLRUSA-N 1 2 370.409 2.996 20 5 FFBDLO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000276890387 256140339 /nfs/dbraw/zinc/14/03/39/256140339.db2.gz UHLFDTLOPKEUBK-ZDUSSCGKSA-N 1 2 364.427 2.503 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000277684691 256226158 /nfs/dbraw/zinc/22/61/58/256226158.db2.gz GQKHWPSWTGRFIB-INIZCTEOSA-N 1 2 370.471 2.781 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000277684691 256226159 /nfs/dbraw/zinc/22/61/59/256226159.db2.gz GQKHWPSWTGRFIB-INIZCTEOSA-N 1 2 370.471 2.781 20 5 FFBDLO COc1cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c([N+](=O)[O-])cc1F ZINC000279067733 256377545 /nfs/dbraw/zinc/37/75/45/256377545.db2.gz ADMDOGCXGIKLDS-PRXAMGSTSA-N 1 2 354.378 2.511 20 5 FFBDLO COc1cc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c([N+](=O)[O-])cc1F ZINC000279067733 256377547 /nfs/dbraw/zinc/37/75/47/256377547.db2.gz ADMDOGCXGIKLDS-PRXAMGSTSA-N 1 2 354.378 2.511 20 5 FFBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000281977656 256682760 /nfs/dbraw/zinc/68/27/60/256682760.db2.gz YZZXQLDSCUDFMI-OAHLLOKOSA-N 1 2 358.398 2.944 20 5 FFBDLO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000283627504 256892290 /nfs/dbraw/zinc/89/22/90/256892290.db2.gz TVYBWCDAONZZMI-UHFFFAOYSA-N 1 2 358.398 2.724 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@H](n4cc(Cl)cn4)C3)o2)cc1 ZINC000289695449 257294405 /nfs/dbraw/zinc/29/44/05/257294405.db2.gz BMSXIFYNAKWHNG-AWEZNQCLSA-N 1 2 374.788 2.942 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@H](n4cc(Cl)cn4)C3)o2)cc1 ZINC000289695449 257294406 /nfs/dbraw/zinc/29/44/06/257294406.db2.gz BMSXIFYNAKWHNG-AWEZNQCLSA-N 1 2 374.788 2.942 20 5 FFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000290063368 257313508 /nfs/dbraw/zinc/31/35/08/257313508.db2.gz XWJPXICSTITISX-IAQYHMDHSA-N 1 2 363.805 2.719 20 5 FFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000290063368 257313509 /nfs/dbraw/zinc/31/35/09/257313509.db2.gz XWJPXICSTITISX-IAQYHMDHSA-N 1 2 363.805 2.719 20 5 FFBDLO COc1cc(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c([N+](=O)[O-])cc1OC ZINC000290839989 257360394 /nfs/dbraw/zinc/36/03/94/257360394.db2.gz IEQNFYQCLJZDQU-CYBMUJFWSA-N 1 2 366.805 2.909 20 5 FFBDLO COc1cc(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c([N+](=O)[O-])cc1OC ZINC000290839989 257360395 /nfs/dbraw/zinc/36/03/95/257360395.db2.gz IEQNFYQCLJZDQU-CYBMUJFWSA-N 1 2 366.805 2.909 20 5 FFBDLO Cc1c(CNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)cccc1[N+](=O)[O-] ZINC000302710634 258108577 /nfs/dbraw/zinc/10/85/77/258108577.db2.gz KNEJVINNOWAELQ-AWEZNQCLSA-N 1 2 357.414 2.514 20 5 FFBDLO Cc1c(CNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)cccc1[N+](=O)[O-] ZINC000302710634 258108578 /nfs/dbraw/zinc/10/85/78/258108578.db2.gz KNEJVINNOWAELQ-AWEZNQCLSA-N 1 2 357.414 2.514 20 5 FFBDLO Cc1cc(N2CCO[C@@H]([C@H]3CCCO3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301607779 258058685 /nfs/dbraw/zinc/05/86/85/258058685.db2.gz OAORXKJYXBZWAH-IAGOWNOFSA-N 1 2 370.409 2.744 20 5 FFBDLO C[C@H](Nc1cc(Br)ccc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000301652838 258061243 /nfs/dbraw/zinc/06/12/43/258061243.db2.gz GVMIKTSROBRKNB-QWRGUYRKSA-N 1 2 358.236 2.878 20 5 FFBDLO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NC[C@@H]1C[NH+]2CCN1CC2 ZINC000301808143 258068841 /nfs/dbraw/zinc/06/88/41/258068841.db2.gz ZBGSPMSHTYIIJC-SECBINFHSA-N 1 2 364.755 2.679 20 5 FFBDLO O=[N+]([O-])c1cnc2ccc(N3CC[NH+](Cc4cccc(Cl)c4)CC3)nn21 ZINC000301861805 258071165 /nfs/dbraw/zinc/07/11/65/258071165.db2.gz AKCUILKXNLXAOJ-UHFFFAOYSA-N 1 2 372.816 2.613 20 5 FFBDLO CCN1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000332369862 258227430 /nfs/dbraw/zinc/22/74/30/258227430.db2.gz FEJNBMGTEILMLC-OAHLLOKOSA-N 1 2 358.402 2.537 20 5 FFBDLO CCN1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000332369942 258227512 /nfs/dbraw/zinc/22/75/12/258227512.db2.gz FGPXRQHJNQLXRV-INIZCTEOSA-N 1 2 372.429 2.845 20 5 FFBDLO C[C@H]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1n1cc[nH+]c1 ZINC000332432155 258230246 /nfs/dbraw/zinc/23/02/46/258230246.db2.gz QFASPJDQOMTHGW-MEDUHNTESA-N 1 2 364.352 2.722 20 5 FFBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000373000986 512126359 /nfs/dbraw/zinc/12/63/59/512126359.db2.gz WWTMUBHDJFYMGE-UHFFFAOYSA-N 1 2 369.425 2.974 20 5 FFBDLO CC[C@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000373043398 512146482 /nfs/dbraw/zinc/14/64/82/512146482.db2.gz BWOTVKUBWSVEAN-SMDDNHRTSA-N 1 2 374.363 2.556 20 5 FFBDLO NC(=O)Nc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000032058231 506226663 /nfs/dbraw/zinc/22/66/63/506226663.db2.gz IIAKMHPRLWGZLR-UHFFFAOYSA-N 1 2 366.337 2.523 20 5 FFBDLO Cc1nc(CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cs1 ZINC000033243246 506351670 /nfs/dbraw/zinc/35/16/70/506351670.db2.gz CHJUKHOZZGGUKY-UHFFFAOYSA-N 1 2 357.395 2.518 20 5 FFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000053472946 506388687 /nfs/dbraw/zinc/38/86/87/506388687.db2.gz VZGGBQTZNOEBMF-MRXNPFEDSA-N 1 2 369.356 2.690 20 5 FFBDLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000066283288 506468997 /nfs/dbraw/zinc/46/89/97/506468997.db2.gz SOWRGQJWIORBED-UHFFFAOYSA-N 1 2 366.333 2.804 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(OCC(C)C)CC1 ZINC000054321813 506536426 /nfs/dbraw/zinc/53/64/26/506536426.db2.gz FEGWOHNQNRZNGR-UHFFFAOYSA-N 1 2 365.430 2.679 20 5 FFBDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000054762014 506616343 /nfs/dbraw/zinc/61/63/43/506616343.db2.gz ZUWKPVCZBYAKSE-UHFFFAOYSA-N 1 2 354.341 2.909 20 5 FFBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2cccc[nH+]2)CC1 ZINC000043343214 506735921 /nfs/dbraw/zinc/73/59/21/506735921.db2.gz HXJWGNTZOWEXMX-UHFFFAOYSA-N 1 2 361.789 2.997 20 5 FFBDLO COc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000015013814 507011552 /nfs/dbraw/zinc/01/15/52/507011552.db2.gz SMJFJODJGBWAJV-UHFFFAOYSA-N 1 2 352.350 2.719 20 5 FFBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000056460063 507018375 /nfs/dbraw/zinc/01/83/75/507018375.db2.gz HWQHMZXQESKODQ-UHFFFAOYSA-N 1 2 360.439 2.684 20 5 FFBDLO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC000015171183 507023516 /nfs/dbraw/zinc/02/35/16/507023516.db2.gz UUZAPPBVGFFXQM-MRXNPFEDSA-N 1 2 372.381 2.816 20 5 FFBDLO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC000015171183 507023521 /nfs/dbraw/zinc/02/35/21/507023521.db2.gz UUZAPPBVGFFXQM-MRXNPFEDSA-N 1 2 372.381 2.816 20 5 FFBDLO CCN(c1ccccc1)S(=O)(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000020666724 507230402 /nfs/dbraw/zinc/23/04/02/507230402.db2.gz XJCSPJJPXXFAKV-UHFFFAOYSA-N 1 2 372.406 2.996 20 5 FFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057406059 507256345 /nfs/dbraw/zinc/25/63/45/507256345.db2.gz NLKUYHDCJNAOTI-HNNXBMFYSA-N 1 2 354.410 2.744 20 5 FFBDLO Cc1nn(C)c(N2CC[NH+](Cc3ccc(Cl)s3)CC2)c1[N+](=O)[O-] ZINC000047331089 507310130 /nfs/dbraw/zinc/31/01/30/507310130.db2.gz NILJEAVIWJIJQE-UHFFFAOYSA-N 1 2 355.851 2.674 20 5 FFBDLO C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000058288535 507400710 /nfs/dbraw/zinc/40/07/10/507400710.db2.gz NATQWIQBPGPBPE-CQSZACIVSA-N 1 2 372.400 2.883 20 5 FFBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000048128863 507458444 /nfs/dbraw/zinc/45/84/44/507458444.db2.gz SUJRLBCCPIHVEN-SNVBAGLBSA-N 1 2 372.303 2.551 20 5 FFBDLO CCOC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000025509230 507507582 /nfs/dbraw/zinc/50/75/82/507507582.db2.gz YWRLQZDZYRZWCZ-CYBMUJFWSA-N 1 2 363.414 2.505 20 5 FFBDLO O=C(CCN1CC[NH+](Cc2ccsc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000026336615 507578894 /nfs/dbraw/zinc/57/88/94/507578894.db2.gz DSWRTWUIFLNRSF-UHFFFAOYSA-N 1 2 374.466 2.803 20 5 FFBDLO Cc1cccc(OCCNC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000026347732 507581291 /nfs/dbraw/zinc/58/12/91/507581291.db2.gz MBZMEYSXIVBYKC-UHFFFAOYSA-N 1 2 357.410 2.530 20 5 FFBDLO Cc1cccc(OCCNC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000026347732 507581294 /nfs/dbraw/zinc/58/12/94/507581294.db2.gz MBZMEYSXIVBYKC-UHFFFAOYSA-N 1 2 357.410 2.530 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cc(-c4ccccc4)no3)CC2)cn1 ZINC000026595040 507599175 /nfs/dbraw/zinc/59/91/75/507599175.db2.gz XEFCNKKFGRUWKA-UHFFFAOYSA-N 1 2 365.393 2.967 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000026920391 507621677 /nfs/dbraw/zinc/62/16/77/507621677.db2.gz UHXVDEQZSLYSHW-GOSISDBHSA-N 1 2 368.368 2.916 20 5 FFBDLO CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000030910301 507814649 /nfs/dbraw/zinc/81/46/49/507814649.db2.gz XJZNPVWIGDNSKO-SJORKVTESA-N 1 2 374.485 2.896 20 5 FFBDLO CCC1(O)CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000072724617 507847765 /nfs/dbraw/zinc/84/77/65/507847765.db2.gz KHDBANYISPOWER-LLVKDONJSA-N 1 2 355.822 2.812 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CCS[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000072837165 507860670 /nfs/dbraw/zinc/86/06/70/507860670.db2.gz QYDVQYQSIFHIAZ-OAHLLOKOSA-N 1 2 353.444 2.615 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CCS[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000072837165 507860672 /nfs/dbraw/zinc/86/06/72/507860672.db2.gz QYDVQYQSIFHIAZ-OAHLLOKOSA-N 1 2 353.444 2.615 20 5 FFBDLO CCC[C@@](C)([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(=O)OC ZINC000109802649 507988502 /nfs/dbraw/zinc/98/85/02/507988502.db2.gz NUCCFZNNMBOEGE-QGZVFWFLSA-N 1 2 351.403 2.553 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000110959707 508060760 /nfs/dbraw/zinc/06/07/60/508060760.db2.gz RHZYBCROTWGEOO-CQSZACIVSA-N 1 2 367.833 2.575 20 5 FFBDLO C[C@@H](O)C1CC[NH+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000111285018 508085990 /nfs/dbraw/zinc/08/59/90/508085990.db2.gz NEXHSEZGMPTTQE-GHMZBOCLSA-N 1 2 355.822 2.668 20 5 FFBDLO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000075411223 508106120 /nfs/dbraw/zinc/10/61/20/508106120.db2.gz QENFLJPXCGKQLN-MRXNPFEDSA-N 1 2 369.421 2.895 20 5 FFBDLO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000075411223 508106121 /nfs/dbraw/zinc/10/61/21/508106121.db2.gz QENFLJPXCGKQLN-MRXNPFEDSA-N 1 2 369.421 2.895 20 5 FFBDLO CCO[C@@H](C)c1noc(C[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)n1 ZINC000075887399 508140453 /nfs/dbraw/zinc/14/04/53/508140453.db2.gz YPSXZCRGYYXXFB-LBPRGKRZSA-N 1 2 350.375 2.586 20 5 FFBDLO CCO[C@@H](C)c1noc(C[N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)n1 ZINC000075887399 508140456 /nfs/dbraw/zinc/14/04/56/508140456.db2.gz YPSXZCRGYYXXFB-LBPRGKRZSA-N 1 2 350.375 2.586 20 5 FFBDLO COc1cc(C[NH+]2CCN(c3cccs3)CC2)c([N+](=O)[O-])cc1OC ZINC000093692171 508152636 /nfs/dbraw/zinc/15/26/36/508152636.db2.gz YEOOTXCJRRPLEJ-UHFFFAOYSA-N 1 2 363.439 2.996 20 5 FFBDLO Cc1c[nH+]ccc1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000112496719 508190158 /nfs/dbraw/zinc/19/01/58/508190158.db2.gz YIPWWQCBFJZBMY-UHFFFAOYSA-N 1 2 372.200 2.862 20 5 FFBDLO CC(C)C[C@H](CCO)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000081822896 508215206 /nfs/dbraw/zinc/21/52/06/508215206.db2.gz PEPMDKUGDWPMLH-AWEZNQCLSA-N 1 2 360.414 2.555 20 5 FFBDLO CCCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCS(=O)(=O)C1 ZINC000083171141 508239062 /nfs/dbraw/zinc/23/90/62/508239062.db2.gz JLPIDEGCKLIKPC-CYBMUJFWSA-N 1 2 367.427 2.525 20 5 FFBDLO CCCC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCS(=O)(=O)C1 ZINC000083171141 508239065 /nfs/dbraw/zinc/23/90/65/508239065.db2.gz JLPIDEGCKLIKPC-CYBMUJFWSA-N 1 2 367.427 2.525 20 5 FFBDLO CCN(CC)c1ccc(CNC(=O)COc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000077217153 508289050 /nfs/dbraw/zinc/28/90/50/508289050.db2.gz YRHJVUOIPYXLHZ-UHFFFAOYSA-N 1 2 358.398 2.531 20 5 FFBDLO CC1(C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H]2CCCO[C@@H]21 ZINC000369405696 512395901 /nfs/dbraw/zinc/39/59/01/512395901.db2.gz DCCUTMHLOFHHSZ-XYPHTWIQSA-N 1 2 370.409 2.714 20 5 FFBDLO O=C1[C@@H]([N@@H+]2CCc3ccc(F)cc3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000133850230 508458418 /nfs/dbraw/zinc/45/84/18/508458418.db2.gz XAAZLROHPRLAEO-SFHVURJKSA-N 1 2 355.369 2.898 20 5 FFBDLO O=C1[C@@H]([N@H+]2CCc3ccc(F)cc3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000133850230 508458423 /nfs/dbraw/zinc/45/84/23/508458423.db2.gz XAAZLROHPRLAEO-SFHVURJKSA-N 1 2 355.369 2.898 20 5 FFBDLO C[C@@H]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[C@@H]1n1cc[nH+]c1 ZINC000134100142 508492936 /nfs/dbraw/zinc/49/29/36/508492936.db2.gz PNGFECVUOVCBNM-PXAZEXFGSA-N 1 2 355.398 2.764 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000122865165 508598708 /nfs/dbraw/zinc/59/87/08/508598708.db2.gz HUPNWVOSFOMNTM-UHFFFAOYSA-N 1 2 371.397 2.920 20 5 FFBDLO COc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000128526603 508606277 /nfs/dbraw/zinc/60/62/77/508606277.db2.gz SICBUMGBDMAXHN-CYBMUJFWSA-N 1 2 355.394 2.989 20 5 FFBDLO COc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000128526603 508606281 /nfs/dbraw/zinc/60/62/81/508606281.db2.gz SICBUMGBDMAXHN-CYBMUJFWSA-N 1 2 355.394 2.989 20 5 FFBDLO CCc1ccc(C[NH+]2CCN(C(=O)c3cc([N+](=O)[O-])cnc3C)CC2)s1 ZINC000128735169 508636366 /nfs/dbraw/zinc/63/63/66/508636366.db2.gz KLURZGSXFSFLAS-UHFFFAOYSA-N 1 2 374.466 2.880 20 5 FFBDLO Cc1cccc(C)c1NC(=O)C[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153730118 508637179 /nfs/dbraw/zinc/63/71/79/508637179.db2.gz MOYPIKFSVHHEIW-KRWDZBQOSA-N 1 2 357.410 2.816 20 5 FFBDLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153730118 508637183 /nfs/dbraw/zinc/63/71/83/508637183.db2.gz MOYPIKFSVHHEIW-KRWDZBQOSA-N 1 2 357.410 2.816 20 5 FFBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000158324879 508688343 /nfs/dbraw/zinc/68/83/43/508688343.db2.gz DPZDLRAXBZRIQI-LBPRGKRZSA-N 1 2 360.439 2.758 20 5 FFBDLO Cc1ccc(C)c(NC(=O)C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000118867142 508688550 /nfs/dbraw/zinc/68/85/50/508688550.db2.gz DJCPZHQRZARESZ-OAHLLOKOSA-N 1 2 369.425 2.732 20 5 FFBDLO Cc1ccc(C)c(NC(=O)C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000118867142 508688554 /nfs/dbraw/zinc/68/85/54/508688554.db2.gz DJCPZHQRZARESZ-OAHLLOKOSA-N 1 2 369.425 2.732 20 5 FFBDLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1C ZINC000118866395 508688862 /nfs/dbraw/zinc/68/88/62/508688862.db2.gz DDWNXHVCBLQWSP-MRXNPFEDSA-N 1 2 369.425 2.732 20 5 FFBDLO Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1C ZINC000118866395 508688864 /nfs/dbraw/zinc/68/88/64/508688864.db2.gz DDWNXHVCBLQWSP-MRXNPFEDSA-N 1 2 369.425 2.732 20 5 FFBDLO O=[N+]([O-])c1cccc(Cl)c1CN1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000119249106 508757447 /nfs/dbraw/zinc/75/74/47/508757447.db2.gz BKIKHGDKIWUGMV-AWEZNQCLSA-N 1 2 353.850 2.935 20 5 FFBDLO CC[NH+](CC)[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1Cl ZINC000158942615 508771607 /nfs/dbraw/zinc/77/16/07/508771607.db2.gz CQCHTSYLCMYPGP-ZDUSSCGKSA-N 1 2 365.821 2.784 20 5 FFBDLO C[N@H+](CCN1C(=O)c2ccccc2C1=O)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119538465 508814810 /nfs/dbraw/zinc/81/48/10/508814810.db2.gz YKTPFRHPBAZABY-UHFFFAOYSA-N 1 2 373.796 2.976 20 5 FFBDLO C[N@@H+](CCN1C(=O)c2ccccc2C1=O)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119538465 508814815 /nfs/dbraw/zinc/81/48/15/508814815.db2.gz YKTPFRHPBAZABY-UHFFFAOYSA-N 1 2 373.796 2.976 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCN(c2cccc[nH+]2)CC1 ZINC000119925098 508891301 /nfs/dbraw/zinc/89/13/01/508891301.db2.gz ZZMHKKUCLJGDFG-UHFFFAOYSA-N 1 2 363.377 2.500 20 5 FFBDLO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000120115138 508932035 /nfs/dbraw/zinc/93/20/35/508932035.db2.gz UBZKQMJKCMGZDX-MRXNPFEDSA-N 1 2 366.381 2.871 20 5 FFBDLO CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000151437438 509016195 /nfs/dbraw/zinc/01/61/95/509016195.db2.gz NOKJTYCEEWTBRV-WBVHZDCISA-N 1 2 373.409 2.597 20 5 FFBDLO CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000151437438 509016200 /nfs/dbraw/zinc/01/62/00/509016200.db2.gz NOKJTYCEEWTBRV-WBVHZDCISA-N 1 2 373.409 2.597 20 5 FFBDLO CC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000151437379 509016337 /nfs/dbraw/zinc/01/63/37/509016337.db2.gz NOKJTYCEEWTBRV-RDJZCZTQSA-N 1 2 373.409 2.597 20 5 FFBDLO CC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000151437379 509016338 /nfs/dbraw/zinc/01/63/38/509016338.db2.gz NOKJTYCEEWTBRV-RDJZCZTQSA-N 1 2 373.409 2.597 20 5 FFBDLO COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000125786714 509029931 /nfs/dbraw/zinc/02/99/31/509029931.db2.gz FGKRBVJNUQBKAN-CJNGLKHVSA-N 1 2 360.366 2.617 20 5 FFBDLO COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000125786714 509029937 /nfs/dbraw/zinc/02/99/37/509029937.db2.gz FGKRBVJNUQBKAN-CJNGLKHVSA-N 1 2 360.366 2.617 20 5 FFBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1ccc2c(c1)OCO2 ZINC000155730420 509060736 /nfs/dbraw/zinc/06/07/36/509060736.db2.gz KQCXDJCYTQCZNS-UHFFFAOYSA-N 1 2 369.377 2.927 20 5 FFBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1ccc2c(c1)OCO2 ZINC000155730420 509060739 /nfs/dbraw/zinc/06/07/39/509060739.db2.gz KQCXDJCYTQCZNS-UHFFFAOYSA-N 1 2 369.377 2.927 20 5 FFBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000126090028 509062366 /nfs/dbraw/zinc/06/23/66/509062366.db2.gz NVMGMPFGXMJWFP-ZDUSSCGKSA-N 1 2 350.400 2.542 20 5 FFBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120809409 509069132 /nfs/dbraw/zinc/06/91/32/509069132.db2.gz GLWMMOMPFNDHJD-GOSISDBHSA-N 1 2 370.409 2.862 20 5 FFBDLO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC([C@H](O)C(F)(F)F)CC3)nc2c1 ZINC000161327664 509102971 /nfs/dbraw/zinc/10/29/71/509102971.db2.gz KUPBJJOPNKVFOJ-AWEZNQCLSA-N 1 2 359.304 2.871 20 5 FFBDLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000267014003 509308350 /nfs/dbraw/zinc/30/83/50/509308350.db2.gz NORWFALLCPVNRQ-NSHDSACASA-N 1 2 367.402 2.574 20 5 FFBDLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000267014003 509308355 /nfs/dbraw/zinc/30/83/55/509308355.db2.gz NORWFALLCPVNRQ-NSHDSACASA-N 1 2 367.402 2.574 20 5 FFBDLO NC(=O)[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000179218254 509325270 /nfs/dbraw/zinc/32/52/70/509325270.db2.gz QYRHSGAMCHRXFY-CQSZACIVSA-N 1 2 364.199 2.674 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000172964902 509326789 /nfs/dbraw/zinc/32/67/89/509326789.db2.gz HIUXOZIRNIUKMX-UHFFFAOYSA-N 1 2 369.421 2.665 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3nc(-c4ccccc4)no3)C2)nc1 ZINC000173464336 509617965 /nfs/dbraw/zinc/61/79/65/509617965.db2.gz NDDCWPHDDSMHHV-AWEZNQCLSA-N 1 2 366.381 2.726 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3nc(-c4ccccc4)no3)C2)nc1 ZINC000173464336 509617969 /nfs/dbraw/zinc/61/79/69/509617969.db2.gz NDDCWPHDDSMHHV-AWEZNQCLSA-N 1 2 366.381 2.726 20 5 FFBDLO CC(C)[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1nc(C2CC2)no1 ZINC000179815735 509634905 /nfs/dbraw/zinc/63/49/05/509634905.db2.gz JQXPMJOUKUBTGS-MRXNPFEDSA-N 1 2 373.413 2.805 20 5 FFBDLO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000179899551 509666708 /nfs/dbraw/zinc/66/67/08/509666708.db2.gz SSIJSMCGYTYXBE-LBPRGKRZSA-N 1 2 373.384 2.982 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189661640 509688425 /nfs/dbraw/zinc/68/84/25/509688425.db2.gz CDPXFBNOQGHULI-UHFFFAOYSA-N 1 2 357.414 2.526 20 5 FFBDLO O=C(NC1CC1)c1ccc(N2CCC(n3cc[nH+]c3)CC2)c([N+](=O)[O-])c1 ZINC000264824027 509725054 /nfs/dbraw/zinc/72/50/54/509725054.db2.gz GNVLMGUNICOYMW-UHFFFAOYSA-N 1 2 355.398 2.525 20 5 FFBDLO Cn1c[nH+]cc1CN1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000177042818 509835325 /nfs/dbraw/zinc/83/53/25/509835325.db2.gz PAXZOABAGYTVPL-UHFFFAOYSA-N 1 2 369.347 2.669 20 5 FFBDLO C[C@H]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@@H]1n1cc[nH+]c1 ZINC000268374558 509894742 /nfs/dbraw/zinc/89/47/42/509894742.db2.gz LIDRBVNCYNSPMC-LRDDRELGSA-N 1 2 353.382 2.996 20 5 FFBDLO CCOC(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245439280 509933650 /nfs/dbraw/zinc/93/36/50/509933650.db2.gz FSZTTXIBRHSXKR-CRAIPNDOSA-N 1 2 370.409 2.780 20 5 FFBDLO CCOC(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245439280 509933654 /nfs/dbraw/zinc/93/36/54/509933654.db2.gz FSZTTXIBRHSXKR-CRAIPNDOSA-N 1 2 370.409 2.780 20 5 FFBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCSC[C@@H]2c2nccs2)c1 ZINC000187021119 510009795 /nfs/dbraw/zinc/00/97/95/510009795.db2.gz JOFQJJGURNGNRK-ZIAGYGMSSA-N 1 2 351.453 2.875 20 5 FFBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCSC[C@@H]2c2nccs2)c1 ZINC000187021119 510009799 /nfs/dbraw/zinc/00/97/99/510009799.db2.gz JOFQJJGURNGNRK-ZIAGYGMSSA-N 1 2 351.453 2.875 20 5 FFBDLO Cc1cc(NC(=O)Cn2ccc([N+](=O)[O-])n2)ccc1Oc1cc[nH+]cc1 ZINC000193699214 510025813 /nfs/dbraw/zinc/02/58/13/510025813.db2.gz QCUQWSDXLMJZMD-UHFFFAOYSA-N 1 2 353.338 2.926 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1CN1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000177662775 510186671 /nfs/dbraw/zinc/18/66/71/510186671.db2.gz DXLZNLGBAJZZHI-UHFFFAOYSA-N 1 2 374.441 2.916 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000194077714 510204103 /nfs/dbraw/zinc/20/41/03/510204103.db2.gz NGSRRNMENHTSHQ-GOSISDBHSA-N 1 2 355.394 2.713 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000265787470 510230538 /nfs/dbraw/zinc/23/05/38/510230538.db2.gz NFXJCYPEBGPXEE-UHFFFAOYSA-N 1 2 355.394 2.988 20 5 FFBDLO COC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000184606220 510413910 /nfs/dbraw/zinc/41/39/10/510413910.db2.gz YEUCTPPYSYIRHO-GFCCVEGCSA-N 1 2 353.762 2.757 20 5 FFBDLO C[C@H](C(=O)N1CC[NH+](Cc2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000184781751 510514029 /nfs/dbraw/zinc/51/40/29/510514029.db2.gz UIYGBGXQDDEMHY-AWEZNQCLSA-N 1 2 372.400 2.577 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CCO)Cc1ccccc1OC ZINC000175172607 510517698 /nfs/dbraw/zinc/51/76/98/510517698.db2.gz XABDWPFOBKACEZ-UHFFFAOYSA-N 1 2 360.410 2.997 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CCO)Cc1ccccc1OC ZINC000175172607 510517702 /nfs/dbraw/zinc/51/77/02/510517702.db2.gz XABDWPFOBKACEZ-UHFFFAOYSA-N 1 2 360.410 2.997 20 5 FFBDLO O=C(NC1CC1)c1ccc(N[C@H]2CCN(c3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000269860619 510573974 /nfs/dbraw/zinc/57/39/74/510573974.db2.gz ISZHUARKWYUQEU-HNNXBMFYSA-N 1 2 367.409 2.573 20 5 FFBDLO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000269874795 510580327 /nfs/dbraw/zinc/58/03/27/510580327.db2.gz OUCHWWRWUVLEEZ-CYBMUJFWSA-N 1 2 369.381 2.637 20 5 FFBDLO Cc1cc(=O)n2nc(C[NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)sc2n1 ZINC000181831234 510615749 /nfs/dbraw/zinc/61/57/49/510615749.db2.gz VHJGMWQXEFTRHT-NSHDSACASA-N 1 2 359.411 2.527 20 5 FFBDLO CCC1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCOCC1 ZINC000266622726 510695025 /nfs/dbraw/zinc/69/50/25/510695025.db2.gz FOTYHAQYUQGCSI-UHFFFAOYSA-N 1 2 358.398 2.717 20 5 FFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000246881141 510725047 /nfs/dbraw/zinc/72/50/47/510725047.db2.gz DPBHADTTYAWFFZ-QWHCGFSZSA-N 1 2 363.414 2.585 20 5 FFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000246881141 510725051 /nfs/dbraw/zinc/72/50/51/510725051.db2.gz DPBHADTTYAWFFZ-QWHCGFSZSA-N 1 2 363.414 2.585 20 5 FFBDLO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1nc(Cc2ccccc2)no1 ZINC000185417375 510839352 /nfs/dbraw/zinc/83/93/52/510839352.db2.gz LWTJZJKQLIJICT-CXAGYDPISA-N 1 2 368.393 2.953 20 5 FFBDLO C[C@@H]([NH2+][C@H](C)c1c(F)cncc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000285512004 510937431 /nfs/dbraw/zinc/93/74/31/510937431.db2.gz DLNAUCAKZNXMIN-NXEZZACHSA-N 1 2 350.325 2.946 20 5 FFBDLO 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20 5 FFBDLO Cc1ccc(CCNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])nc1 ZINC000413345543 513606854 /nfs/dbraw/zinc/60/68/54/513606854.db2.gz FWUIFEBBVVVZSL-UHFFFAOYSA-N 1 2 356.426 2.785 20 5 FFBDLO CC(C)(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCO1 ZINC000451325078 513676383 /nfs/dbraw/zinc/67/63/83/513676383.db2.gz ZCBDLFQAUYQBQT-MRXNPFEDSA-N 1 2 358.398 2.668 20 5 FFBDLO Cc1ccc(NC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000435818244 513691905 /nfs/dbraw/zinc/69/19/05/513691905.db2.gz MBFRTIPMZBTDFM-UHFFFAOYSA-N 1 2 368.349 2.512 20 5 FFBDLO COc1cccc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC000435883288 513707152 /nfs/dbraw/zinc/70/71/52/513707152.db2.gz YCUDCMNYAVZDPR-UHFFFAOYSA-N 1 2 352.350 2.719 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCSC[C@H]2C2CCC2)cc1 ZINC000419373431 513792589 /nfs/dbraw/zinc/79/25/89/513792589.db2.gz MUVNKTFMHOOYED-INIZCTEOSA-N 1 2 370.496 2.586 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCSC[C@H]2C2CCC2)cc1 ZINC000419373431 513792594 /nfs/dbraw/zinc/79/25/94/513792594.db2.gz MUVNKTFMHOOYED-INIZCTEOSA-N 1 2 370.496 2.586 20 5 FFBDLO O=[N+]([O-])c1ccc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)c(F)c1 ZINC000436267138 513812259 /nfs/dbraw/zinc/81/22/59/513812259.db2.gz CAPIKCKPUBCBPT-UXHICEINSA-N 1 2 371.412 2.819 20 5 FFBDLO O=[N+]([O-])c1ccc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)c(F)c1 ZINC000436267138 513812264 /nfs/dbraw/zinc/81/22/64/513812264.db2.gz CAPIKCKPUBCBPT-UXHICEINSA-N 1 2 371.412 2.819 20 5 FFBDLO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)c(F)c1 ZINC000436267138 513812270 /nfs/dbraw/zinc/81/22/70/513812270.db2.gz CAPIKCKPUBCBPT-UXHICEINSA-N 1 2 371.412 2.819 20 5 FFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)c(F)c1 ZINC000436267138 513812273 /nfs/dbraw/zinc/81/22/73/513812273.db2.gz CAPIKCKPUBCBPT-UXHICEINSA-N 1 2 371.412 2.819 20 5 FFBDLO Cc1cc(C)c(S(=O)(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)cc1[N+](=O)[O-] ZINC000451545194 513823096 /nfs/dbraw/zinc/82/30/96/513823096.db2.gz GZSIRIIVCRJWAO-AWEZNQCLSA-N 1 2 352.416 2.610 20 5 FFBDLO O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000448831681 513920473 /nfs/dbraw/zinc/92/04/73/513920473.db2.gz AJWDQWIQCJMHKE-UHFFFAOYSA-N 1 2 366.381 2.728 20 5 FFBDLO COCC(C)(C)CCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451757584 513959931 /nfs/dbraw/zinc/95/99/31/513959931.db2.gz BFTOJEPZFXYASQ-UHFFFAOYSA-N 1 2 360.414 2.963 20 5 FFBDLO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCC1(F)F ZINC000451834630 514012231 /nfs/dbraw/zinc/01/22/31/514012231.db2.gz FDQBQCOSVJADPZ-NSHDSACASA-N 1 2 350.325 2.898 20 5 FFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000451862107 514028761 /nfs/dbraw/zinc/02/87/61/514028761.db2.gz AYXYXNRWJIWVNN-QGZVFWFLSA-N 1 2 367.409 2.860 20 5 FFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000451862107 514028768 /nfs/dbraw/zinc/02/87/68/514028768.db2.gz AYXYXNRWJIWVNN-QGZVFWFLSA-N 1 2 367.409 2.860 20 5 FFBDLO COc1cc(C)ccc1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000449025449 514034359 /nfs/dbraw/zinc/03/43/59/514034359.db2.gz CCAIVUJVCXLSDI-UHFFFAOYSA-N 1 2 369.421 2.870 20 5 FFBDLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436935925 514042396 /nfs/dbraw/zinc/04/23/96/514042396.db2.gz FARJLMJWYITNLU-DYVFJYSZSA-N 1 2 355.394 2.551 20 5 FFBDLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436935925 514042401 /nfs/dbraw/zinc/04/24/01/514042401.db2.gz FARJLMJWYITNLU-DYVFJYSZSA-N 1 2 355.394 2.551 20 5 FFBDLO COCC1(CCNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCC1 ZINC000452138529 514214481 /nfs/dbraw/zinc/21/44/81/514214481.db2.gz FOYANGDNZLIUNU-UHFFFAOYSA-N 1 2 358.398 2.717 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H](c4nncn4C4CC4)C3)nc2c1 ZINC000444656725 514284529 /nfs/dbraw/zinc/28/45/29/514284529.db2.gz HURQZZNQXVVSFU-LBPRGKRZSA-N 1 2 367.413 2.777 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@H](c4nncn4C4CC4)C3)nc2c1 ZINC000444656725 514284535 /nfs/dbraw/zinc/28/45/35/514284535.db2.gz HURQZZNQXVVSFU-LBPRGKRZSA-N 1 2 367.413 2.777 20 5 FFBDLO CC(C)(C)c1ccc(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)cc1[N+](=O)[O-] ZINC000449655540 514285589 /nfs/dbraw/zinc/28/55/89/514285589.db2.gz ZHNRWURTOPKTFO-LBPRGKRZSA-N 1 2 355.385 2.867 20 5 FFBDLO CC[C@H]1C[N@H+](CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCO1 ZINC000427740973 514298880 /nfs/dbraw/zinc/29/88/80/514298880.db2.gz KXPJZCJRHPKTDB-AWEZNQCLSA-N 1 2 363.439 2.650 20 5 FFBDLO CC[C@H]1C[N@@H+](CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCO1 ZINC000427740973 514298884 /nfs/dbraw/zinc/29/88/84/514298884.db2.gz KXPJZCJRHPKTDB-AWEZNQCLSA-N 1 2 363.439 2.650 20 5 FFBDLO CC1CCN(c2ccc(CNC(=O)c3cc(O)cc([N+](=O)[O-])c3)c[nH+]2)CC1 ZINC000427906427 514343416 /nfs/dbraw/zinc/34/34/16/514343416.db2.gz QBGYAJBOTRAHRR-UHFFFAOYSA-N 1 2 370.409 2.862 20 5 FFBDLO COc1ccc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)nc1 ZINC000449765205 514346050 /nfs/dbraw/zinc/34/60/50/514346050.db2.gz HBJYGJJSSDLOOI-UHFFFAOYSA-N 1 2 362.817 2.974 20 5 FFBDLO CCCn1nc(C)c(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c1C ZINC000453574354 514693382 /nfs/dbraw/zinc/69/33/82/514693382.db2.gz IPHWHBVYSGVEQH-UHFFFAOYSA-N 1 2 358.446 2.535 20 5 FFBDLO O=C(NCCCc1nccs1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000508308698 514737805 /nfs/dbraw/zinc/73/78/05/514737805.db2.gz DOUKWDOEPQATDO-UHFFFAOYSA-N 1 2 357.395 2.600 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(Oc2ccccn2)CC1 ZINC000471160108 514776086 /nfs/dbraw/zinc/77/60/86/514776086.db2.gz JLDJDAJUDTVREG-AWEZNQCLSA-N 1 2 370.409 2.860 20 5 FFBDLO Cc1c(CNC(=O)N2CC[NH+](Cc3cccs3)CC2)cccc1[N+](=O)[O-] ZINC000480053754 514825807 /nfs/dbraw/zinc/82/58/07/514825807.db2.gz MFYOZWNUQMLIJP-UHFFFAOYSA-N 1 2 374.466 2.992 20 5 FFBDLO COC(=O)c1cc(NC(=O)c2ccc3[nH+]ccn3c2)c(C)c([N+](=O)[O-])c1 ZINC000489756040 514962451 /nfs/dbraw/zinc/96/24/51/514962451.db2.gz RIOVGECNTRZYAO-UHFFFAOYSA-N 1 2 354.322 2.590 20 5 FFBDLO COc1c(C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)cccc1[N+](=O)[O-] ZINC000476553517 515098483 /nfs/dbraw/zinc/09/84/83/515098483.db2.gz VOBBSQLEDTVSBT-UHFFFAOYSA-N 1 2 352.350 2.924 20 5 FFBDLO C[C@H]1C[C@H](NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c2[nH+]ccn21 ZINC000456364601 515131999 /nfs/dbraw/zinc/13/19/99/515131999.db2.gz FYGBTSFOKIJNEH-NHYWBVRUSA-N 1 2 366.381 2.628 20 5 FFBDLO O=C(Cc1ccccc1[N+](=O)[O-])N(CC[NH+]1CCOCC1)c1ccccc1 ZINC000499080381 515191055 /nfs/dbraw/zinc/19/10/55/515191055.db2.gz MRTVFWKNOZRSJU-UHFFFAOYSA-N 1 2 369.421 2.503 20 5 FFBDLO CCc1nsc(N2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)CC2)n1 ZINC000490405492 515198706 /nfs/dbraw/zinc/19/87/06/515198706.db2.gz ZWTDDBHKIYPJGT-UHFFFAOYSA-N 1 2 365.434 2.860 20 5 FFBDLO CCc1nsc(N2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)CC2)n1 ZINC000490405492 515198713 /nfs/dbraw/zinc/19/87/13/515198713.db2.gz ZWTDDBHKIYPJGT-UHFFFAOYSA-N 1 2 365.434 2.860 20 5 FFBDLO CN(C)c1[nH]c2ccc(NC(=O)CCNc3ccccc3[N+](=O)[O-])cc2[nH+]1 ZINC000468031108 515200603 /nfs/dbraw/zinc/20/06/03/515200603.db2.gz UAFZUIXSTCHQAC-UHFFFAOYSA-N 1 2 368.397 2.978 20 5 FFBDLO CC(C)[C@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)N1CC[NH+](C)CC1 ZINC000462920557 515299869 /nfs/dbraw/zinc/29/98/69/515299869.db2.gz ZVJRWRJUKSYDOA-HNNXBMFYSA-N 1 2 372.416 2.880 20 5 FFBDLO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000486045448 515311192 /nfs/dbraw/zinc/31/11/92/515311192.db2.gz ARFTXRZCYOFYDN-AWEZNQCLSA-N 1 2 350.325 2.892 20 5 FFBDLO COc1ccc(C[NH+]2CCN(c3ncc(C)cc3[N+](=O)[O-])CC2)cc1F ZINC000463049635 515346984 /nfs/dbraw/zinc/34/69/84/515346984.db2.gz VKKZPZYYGNSGQM-UHFFFAOYSA-N 1 2 360.389 2.768 20 5 FFBDLO COC(=O)[C@H](Cc1ccc(C)cc1)[NH2+]CCNc1ccc([N+](=O)[O-])cc1 ZINC000481560564 515381226 /nfs/dbraw/zinc/38/12/26/515381226.db2.gz IEQSESDJGIIGHE-SFHVURJKSA-N 1 2 357.410 2.689 20 5 FFBDLO CCOc1ccc([C@H](C)[NH2+]Cc2nnnn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000504911719 515408628 /nfs/dbraw/zinc/40/86/28/515408628.db2.gz KHLSEDLQMCVRDC-ZDUSSCGKSA-N 1 2 368.397 2.820 20 5 FFBDLO O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000491977990 515486824 /nfs/dbraw/zinc/48/68/24/515486824.db2.gz MDMCXFOBEHOUAA-UHFFFAOYSA-N 1 2 366.381 2.599 20 5 FFBDLO Cc1cccc2ncc(C[NH+]3CCN(c4cccc([N+](=O)[O-])c4)CC3)n21 ZINC000510507289 515561992 /nfs/dbraw/zinc/56/19/92/515561992.db2.gz YPXCBMPBRIRVIZ-UHFFFAOYSA-N 1 2 351.410 2.873 20 5 FFBDLO CCc1ccc([C@H]2CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC[NH2+]2)cc1 ZINC000505525083 515571682 /nfs/dbraw/zinc/57/16/82/515571682.db2.gz ZHDJWFAERXOWKB-GOSISDBHSA-N 1 2 355.394 2.650 20 5 FFBDLO O=C(Nc1cccc2c1CCO2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000477739892 515575255 /nfs/dbraw/zinc/57/52/55/515575255.db2.gz GAYPTTUNKZUKQE-UHFFFAOYSA-N 1 2 350.334 2.968 20 5 FFBDLO Cc1cccc2ncc(C[NH+]3CCN(c4ccccc4[N+](=O)[O-])CC3)n21 ZINC000505570526 515589337 /nfs/dbraw/zinc/58/93/37/515589337.db2.gz LQVCTZKQUAYIJX-UHFFFAOYSA-N 1 2 351.410 2.873 20 5 FFBDLO CC(C)OC(=O)CC[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000473606890 515685510 /nfs/dbraw/zinc/68/55/10/515685510.db2.gz HWAWEIVJVGMECD-CYBMUJFWSA-N 1 2 374.397 2.631 20 5 FFBDLO C[C@H]1CCCN(c2ccc(C(=O)NCCc3[nH]cc[nH+]3)cc2[N+](=O)[O-])C1 ZINC000469272793 515750482 /nfs/dbraw/zinc/75/04/82/515750482.db2.gz DLLDJALAHKFCMN-ZDUSSCGKSA-N 1 2 357.414 2.527 20 5 FFBDLO Cc1c(CNC(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)cccc1[N+](=O)[O-] ZINC000454858732 515794926 /nfs/dbraw/zinc/79/49/26/515794926.db2.gz RLEZJQWYCSZDCE-HNNXBMFYSA-N 1 2 357.414 2.929 20 5 FFBDLO Cc1cc[nH+]cc1N1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000500649967 515802919 /nfs/dbraw/zinc/80/29/19/515802919.db2.gz FRTWSZRSRXXWQA-UHFFFAOYSA-N 1 2 365.393 2.742 20 5 FFBDLO O=C(NCCCn1cc[nH+]c1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000457396110 515848352 /nfs/dbraw/zinc/84/83/52/515848352.db2.gz YOZCSDBOYNBXEM-MRXNPFEDSA-N 1 2 357.414 2.771 20 5 FFBDLO CC(C)Cn1cc[nH+]c1CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000511466922 515916183 /nfs/dbraw/zinc/91/61/83/515916183.db2.gz VTVGQNSVHBDLGX-UHFFFAOYSA-N 1 2 359.430 2.831 20 5 FFBDLO Cc1ccsc1[C@@H](CO)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000494688704 515926606 /nfs/dbraw/zinc/92/66/06/515926606.db2.gz FZXSIEKNRQIRMY-CYBMUJFWSA-N 1 2 360.395 2.838 20 5 FFBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000464979759 516033649 /nfs/dbraw/zinc/03/36/49/516033649.db2.gz FTBRMQSWZCBYNW-UHFFFAOYSA-N 1 2 371.441 2.707 20 5 FFBDLO COC(=O)c1cc(NC(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)c(C)c([N+](=O)[O-])c1 ZINC000455259165 516078923 /nfs/dbraw/zinc/07/89/23/516078923.db2.gz ABWMNJYNFRLPTM-RNCFNFMXSA-N 1 2 373.369 2.714 20 5 FFBDLO C[C@H]1CCCN(c2ccc(C(=O)NCCc3cn(C)c[nH+]3)cc2[N+](=O)[O-])C1 ZINC000457882074 516207327 /nfs/dbraw/zinc/20/73/27/516207327.db2.gz MGTSJKPCXMUTES-AWEZNQCLSA-N 1 2 371.441 2.537 20 5 FFBDLO Cc1cc[nH+]cc1N1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000512274600 516219906 /nfs/dbraw/zinc/21/99/06/516219906.db2.gz AODBADGBRRSEGG-UHFFFAOYSA-N 1 2 368.437 2.925 20 5 FFBDLO O=C(NCCCn1cc[nH+]c1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000507836655 516311328 /nfs/dbraw/zinc/31/13/28/516311328.db2.gz MUTXLNSWVRJWMS-UHFFFAOYSA-N 1 2 351.366 2.673 20 5 FFBDLO C[C@@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000535432035 516352574 /nfs/dbraw/zinc/35/25/74/516352574.db2.gz GEFGYLWAPRGSMW-RHSMWYFYSA-N 1 2 357.414 2.627 20 5 FFBDLO C[C@@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000535432034 516353048 /nfs/dbraw/zinc/35/30/48/516353048.db2.gz GEFGYLWAPRGSMW-PBHICJAKSA-N 1 2 357.414 2.627 20 5 FFBDLO Cc1ccccc1C[NH+]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000539934464 516361352 /nfs/dbraw/zinc/36/13/52/516361352.db2.gz OCWGYLGTCHNTTN-UHFFFAOYSA-N 1 2 355.394 2.567 20 5 FFBDLO C[N@@H+]1CCc2nc(NC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)sc2C1 ZINC000535693576 516452015 /nfs/dbraw/zinc/45/20/15/516452015.db2.gz OSWCSUMCUCWUQO-UHFFFAOYSA-N 1 2 357.395 2.773 20 5 FFBDLO C[N@H+]1CCc2nc(NC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)sc2C1 ZINC000535693576 516452017 /nfs/dbraw/zinc/45/20/17/516452017.db2.gz OSWCSUMCUCWUQO-UHFFFAOYSA-N 1 2 357.395 2.773 20 5 FFBDLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000561467395 516600159 /nfs/dbraw/zinc/60/01/59/516600159.db2.gz GNMRJWOFGDHTDM-UHFFFAOYSA-N 1 2 354.341 2.909 20 5 FFBDLO C[N@H+](CCn1cc(Br)cn1)Cc1ccc([N+](=O)[O-])cc1F ZINC000554749515 516618416 /nfs/dbraw/zinc/61/84/16/516618416.db2.gz QYNVUSDOAUFVJU-UHFFFAOYSA-N 1 2 357.183 2.825 20 5 FFBDLO C[N@@H+](CCn1cc(Br)cn1)Cc1ccc([N+](=O)[O-])cc1F ZINC000554749515 516618422 /nfs/dbraw/zinc/61/84/22/516618422.db2.gz QYNVUSDOAUFVJU-UHFFFAOYSA-N 1 2 357.183 2.825 20 5 FFBDLO O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000561542294 516644010 /nfs/dbraw/zinc/64/40/10/516644010.db2.gz RPYWOFCFTBSBKV-UHFFFAOYSA-N 1 2 366.377 2.648 20 5 FFBDLO Cc1c(Br)c(NCc2cn3ccccc3[nH+]2)ncc1[N+](=O)[O-] ZINC000544410159 516746836 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359.357 2.847 20 5 FFBDLO C[N@@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@@H]1CCNC1=O ZINC000537693033 517300103 /nfs/dbraw/zinc/30/01/03/517300103.db2.gz QLOQKKZDGRBKAA-OAHLLOKOSA-N 1 2 359.357 2.847 20 5 FFBDLO COc1ccncc1CN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000556211954 517319385 /nfs/dbraw/zinc/31/93/85/517319385.db2.gz KZSHHTLMJJSHBN-KRWDZBQOSA-N 1 2 353.382 2.611 20 5 FFBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000562764819 517377501 /nfs/dbraw/zinc/37/75/01/517377501.db2.gz YGDQGIZCDUSQPN-IUPBHXKESA-N 1 2 357.332 2.699 20 5 FFBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000562764819 517377509 /nfs/dbraw/zinc/37/75/09/517377509.db2.gz YGDQGIZCDUSQPN-IUPBHXKESA-N 1 2 357.332 2.699 20 5 FFBDLO COCCc1ccnc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000553017816 517480790 /nfs/dbraw/zinc/48/07/90/517480790.db2.gz OCKUCEPODXEFCO-UHFFFAOYSA-N 1 2 367.365 2.617 20 5 FFBDLO COc1cc(CNc2ccc(N3CCCC3)c[nH+]2)c([N+](=O)[O-])cc1OC ZINC000553282041 517622437 /nfs/dbraw/zinc/62/24/37/517622437.db2.gz JMMBZTLPCVWJJP-UHFFFAOYSA-N 1 2 358.398 2.641 20 5 FFBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2c2ccc(Br)cn2)c1 ZINC000549687646 517659589 /nfs/dbraw/zinc/65/95/89/517659589.db2.gz MWZVKIBNUWYXLZ-CQSZACIVSA-N 1 2 366.219 2.786 20 5 FFBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]2c2ccc(Br)cn2)c1 ZINC000549687646 517659598 /nfs/dbraw/zinc/65/95/98/517659598.db2.gz MWZVKIBNUWYXLZ-CQSZACIVSA-N 1 2 366.219 2.786 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000533946684 517678138 /nfs/dbraw/zinc/67/81/38/517678138.db2.gz JTKPKQCXIVSSRB-UHFFFAOYSA-N 1 2 362.367 2.589 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](CC(=O)N1CCCC1)C[C@@H]1CCCO1 ZINC000542702412 517694800 /nfs/dbraw/zinc/69/48/00/517694800.db2.gz FXNPLNNUEGSRDA-SFHVURJKSA-N 1 2 361.442 2.507 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+](CC(=O)N1CCCC1)C[C@@H]1CCCO1 ZINC000542702412 517694810 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369.421 2.998 20 5 FFBDLO O=[N+]([O-])c1cc(-c2nc(Cc3cn4ccccc4[nH+]3)no2)cc2c1OCO2 ZINC000547044694 517966209 /nfs/dbraw/zinc/96/62/09/517966209.db2.gz MZBJPLNNIZTJQI-UHFFFAOYSA-N 1 2 365.305 2.612 20 5 FFBDLO CCn1c(C)nc([N+](=O)[O-])c1NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000564044042 518281304 /nfs/dbraw/zinc/28/13/04/518281304.db2.gz MBDCFPSLORVCRW-BETUJISGSA-N 1 2 374.445 2.740 20 5 FFBDLO O=[N+]([O-])c1ccc(NCc2cn3ccccc3[nH+]2)c(F)c1N1CCOCC1 ZINC000582370548 518721317 /nfs/dbraw/zinc/72/13/17/518721317.db2.gz SLLMEMPSENOBMU-UHFFFAOYSA-N 1 2 371.372 2.830 20 5 FFBDLO COC(=O)c1ccccc1OCC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000579651220 518783260 /nfs/dbraw/zinc/78/32/60/518783260.db2.gz WZKINPUKSMPKSE-UHFFFAOYSA-N 1 2 372.377 2.655 20 5 FFBDLO COC(=O)c1ccccc1OCC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000579651220 518783267 /nfs/dbraw/zinc/78/32/67/518783267.db2.gz WZKINPUKSMPKSE-UHFFFAOYSA-N 1 2 372.377 2.655 20 5 FFBDLO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCc1ccn2cc[nH+]c2c1 ZINC000573737979 518812033 /nfs/dbraw/zinc/81/20/33/518812033.db2.gz FTXBEWFORGXTTE-UHFFFAOYSA-N 1 2 367.409 2.687 20 5 FFBDLO O=C1[C@H]([N@@H+]2CCC=C(c3cccnc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000577248094 518984879 /nfs/dbraw/zinc/98/48/79/518984879.db2.gz XJDVLXQUTFJOBG-LJQANCHMSA-N 1 2 364.405 2.884 20 5 FFBDLO O=C1[C@H]([N@H+]2CCC=C(c3cccnc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000577248094 518984889 /nfs/dbraw/zinc/98/48/89/518984889.db2.gz XJDVLXQUTFJOBG-LJQANCHMSA-N 1 2 364.405 2.884 20 5 FFBDLO C[C@@H](C(=O)N1CCC[N@H+](Cc2cscn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000577254973 518989582 /nfs/dbraw/zinc/98/95/82/518989582.db2.gz GZVGUUZGHQWEQV-CQSZACIVSA-N 1 2 374.466 2.889 20 5 FFBDLO C[C@@H](C(=O)N1CCC[N@@H+](Cc2cscn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000577254973 518989588 /nfs/dbraw/zinc/98/95/88/518989588.db2.gz GZVGUUZGHQWEQV-CQSZACIVSA-N 1 2 374.466 2.889 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@H]1[C@H]1CCCOC1 ZINC000580076740 518996543 /nfs/dbraw/zinc/99/65/43/518996543.db2.gz FQMLRXMZFILMJD-HOTGVXAUSA-N 1 2 370.409 2.812 20 5 FFBDLO C[C@]1(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCCC[C@@H]1O ZINC000574480992 519174124 /nfs/dbraw/zinc/17/41/24/519174124.db2.gz IQLXYCLLNRDYPW-RBUKOAKNSA-N 1 2 363.458 2.780 20 5 FFBDLO COCCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CCCC1 ZINC000590624034 519293663 /nfs/dbraw/zinc/29/36/63/519293663.db2.gz AOMUVWYRYJXWKX-UHFFFAOYSA-N 1 2 358.398 2.812 20 5 FFBDLO CCc1nnc(CN[C@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)s1 ZINC000580744474 519334148 /nfs/dbraw/zinc/33/41/48/519334148.db2.gz VEOMJVBDGHQHQQ-HNNXBMFYSA-N 1 2 358.427 2.621 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@@H]1CCCSC1 ZINC000566343009 519443837 /nfs/dbraw/zinc/44/38/37/519443837.db2.gz LKDLUKBWBCSBHN-HNNXBMFYSA-N 1 2 351.472 2.982 20 5 FFBDLO C[C@H]1CO[C@H](C(F)(F)F)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000591037357 519487296 /nfs/dbraw/zinc/48/72/96/519487296.db2.gz FRHKQBSSQSMQOH-GWCFXTLKSA-N 1 2 361.320 2.575 20 5 FFBDLO C[C@H]1CO[C@H](C(F)(F)F)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000591037357 519487300 /nfs/dbraw/zinc/48/73/00/519487300.db2.gz FRHKQBSSQSMQOH-GWCFXTLKSA-N 1 2 361.320 2.575 20 5 FFBDLO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1nnc([C@H]2CCCO2)[nH]1)C1CC1 ZINC000594513910 520010923 /nfs/dbraw/zinc/01/09/23/520010923.db2.gz UUKNJLORFHAFNU-GDBMZVCRSA-N 1 2 357.414 2.675 20 5 FFBDLO O=C(C[NH2+][C@@H](CF)c1ccc(F)cc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000603021667 520029044 /nfs/dbraw/zinc/02/90/44/520029044.db2.gz VCUBIVJDEOZHAC-INIZCTEOSA-N 1 2 361.348 2.923 20 5 FFBDLO Cc1ccccc1[C@@H]1C(=O)NCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000612747562 520122292 /nfs/dbraw/zinc/12/22/92/520122292.db2.gz SHORCXGKFAWCHE-LJQANCHMSA-N 1 2 369.421 2.845 20 5 FFBDLO Cc1ccccc1[C@@H]1C(=O)NCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000612747562 520122308 /nfs/dbraw/zinc/12/23/08/520122308.db2.gz SHORCXGKFAWCHE-LJQANCHMSA-N 1 2 369.421 2.845 20 5 FFBDLO COC(=O)[C@H](C[C@H]1CCCOC1)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000600204311 520122580 /nfs/dbraw/zinc/12/25/80/520122580.db2.gz ABONJAILPMWVLB-INMHGKMJSA-N 1 2 364.442 2.864 20 5 FFBDLO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609131464 520199642 /nfs/dbraw/zinc/19/96/42/520199642.db2.gz QGTRKLLHUJZFAJ-INIZCTEOSA-N 1 2 369.425 2.869 20 5 FFBDLO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1OC ZINC000609130958 520200056 /nfs/dbraw/zinc/20/00/56/520200056.db2.gz DIRCFGWXBLAGBX-CYBMUJFWSA-N 1 2 374.397 2.676 20 5 FFBDLO CC(C)(C(=O)N1CC(Oc2cc[nH+]cc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000613019779 520273191 /nfs/dbraw/zinc/27/31/91/520273191.db2.gz ZEJRTPYJTWDCJV-UHFFFAOYSA-N 1 2 359.357 2.696 20 5 FFBDLO CC(C)OC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000609331331 520283755 /nfs/dbraw/zinc/28/37/55/520283755.db2.gz ZHKWVVUAVAVVIG-UHFFFAOYSA-N 1 2 358.398 2.810 20 5 FFBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1ccc[nH+]c1N1CCCC1 ZINC000597941532 520341387 /nfs/dbraw/zinc/34/13/87/520341387.db2.gz QYXRMUADROATKK-UHFFFAOYSA-N 1 2 372.450 2.999 20 5 FFBDLO O=C(Nc1cccc2cnncc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000617146723 520351656 /nfs/dbraw/zinc/35/16/56/520351656.db2.gz MZELSOYJUKRJAU-UHFFFAOYSA-N 1 2 360.333 2.976 20 5 FFBDLO CCOc1cc(C[N@H+](C)CC(=O)Nc2cc(C)ccn2)ccc1[N+](=O)[O-] ZINC000617196472 520376995 /nfs/dbraw/zinc/37/69/95/520376995.db2.gz WDMRPNLIERAJDT-UHFFFAOYSA-N 1 2 358.398 2.767 20 5 FFBDLO CCOc1cc(C[N@@H+](C)CC(=O)Nc2cc(C)ccn2)ccc1[N+](=O)[O-] ZINC000617196472 520377000 /nfs/dbraw/zinc/37/70/00/520377000.db2.gz WDMRPNLIERAJDT-UHFFFAOYSA-N 1 2 358.398 2.767 20 5 FFBDLO Cc1noc(C[N@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)c1[N+](=O)[O-] ZINC000595474731 520495469 /nfs/dbraw/zinc/49/54/69/520495469.db2.gz DNVPNOYZKWLUOW-UHFFFAOYSA-N 1 2 354.370 2.637 20 5 FFBDLO Cc1noc(C[N@@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)c1[N+](=O)[O-] ZINC000595474731 520495473 /nfs/dbraw/zinc/49/54/73/520495473.db2.gz DNVPNOYZKWLUOW-UHFFFAOYSA-N 1 2 354.370 2.637 20 5 FFBDLO CCNc1ccc(C(=O)NCCc2cn3c(cccc3C)[nH+]2)cc1[N+](=O)[O-] ZINC000592745190 520553029 /nfs/dbraw/zinc/55/30/29/520553029.db2.gz AHTVNLMGVMLVAA-UHFFFAOYSA-N 1 2 367.409 2.955 20 5 FFBDLO CC1(C)[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1(F)F ZINC000598341532 520564043 /nfs/dbraw/zinc/56/40/43/520564043.db2.gz WFFQCJMCUZRDDN-ZDUSSCGKSA-N 1 2 350.325 2.802 20 5 FFBDLO C[C@@H]1COC2(CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000598347957 520570087 /nfs/dbraw/zinc/57/00/87/520570087.db2.gz BZACDXJROANNBK-CQSZACIVSA-N 1 2 370.409 2.954 20 5 FFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000610304710 520630238 /nfs/dbraw/zinc/63/02/38/520630238.db2.gz YFHCRGHMTLPBQK-KRWDZBQOSA-N 1 2 365.393 2.746 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cscn2)c([N+](=O)[O-])c1 ZINC000595666804 520632379 /nfs/dbraw/zinc/63/23/79/520632379.db2.gz CSNKSKPSCRRTCB-NXEZZACHSA-N 1 2 350.400 2.738 20 5 FFBDLO COc1cc(F)c(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000601148607 520659902 /nfs/dbraw/zinc/65/99/02/520659902.db2.gz FGDHIEILNDQCBP-GOSISDBHSA-N 1 2 364.373 2.748 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1N(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1(C)C ZINC000601169989 520671103 /nfs/dbraw/zinc/67/11/03/520671103.db2.gz INFCKVLGFZPXGU-SNVBAGLBSA-N 1 2 358.324 2.668 20 5 FFBDLO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)O1 ZINC000610476286 520704376 /nfs/dbraw/zinc/70/43/76/520704376.db2.gz VASYXCZOHKUADB-CKEIUWERSA-N 1 2 351.422 2.808 20 5 FFBDLO C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)O1 ZINC000610476286 520704381 /nfs/dbraw/zinc/70/43/81/520704381.db2.gz VASYXCZOHKUADB-CKEIUWERSA-N 1 2 351.422 2.808 20 5 FFBDLO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000613913638 520724416 /nfs/dbraw/zinc/72/44/16/520724416.db2.gz SCKUCTUIZXBKLF-INIZCTEOSA-N 1 2 369.421 2.942 20 5 FFBDLO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000613913638 520724425 /nfs/dbraw/zinc/72/44/25/520724425.db2.gz SCKUCTUIZXBKLF-INIZCTEOSA-N 1 2 369.421 2.942 20 5 FFBDLO CCn1cc(C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C(C)C)cn1 ZINC000593079615 520729548 /nfs/dbraw/zinc/72/95/48/520729548.db2.gz IQNLEZRAQHWRDD-UHFFFAOYSA-N 1 2 371.441 2.611 20 5 FFBDLO CCn1cc(C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C(C)C)cn1 ZINC000593079615 520729576 /nfs/dbraw/zinc/72/95/76/520729576.db2.gz IQNLEZRAQHWRDD-UHFFFAOYSA-N 1 2 371.441 2.611 20 5 FFBDLO CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000595823712 520747195 /nfs/dbraw/zinc/74/71/95/520747195.db2.gz PPQUWUNNLIFCMY-ZDUSSCGKSA-N 1 2 374.363 2.801 20 5 FFBDLO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000595823712 520747201 /nfs/dbraw/zinc/74/72/01/520747201.db2.gz PPQUWUNNLIFCMY-ZDUSSCGKSA-N 1 2 374.363 2.801 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593117924 520757810 /nfs/dbraw/zinc/75/78/10/520757810.db2.gz OIMRNMYQXUDOPE-ZUZCIYMTSA-N 1 2 355.341 2.662 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593117924 520757816 /nfs/dbraw/zinc/75/78/16/520757816.db2.gz OIMRNMYQXUDOPE-ZUZCIYMTSA-N 1 2 355.341 2.662 20 5 FFBDLO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@H](CC)CO1 ZINC000593257450 520863033 /nfs/dbraw/zinc/86/30/33/520863033.db2.gz ZDASNIYLKWYKOC-HUUCEWRRSA-N 1 2 358.398 2.810 20 5 FFBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCc3ccc(F)c(Br)c3C2)c1 ZINC000598940518 520931971 /nfs/dbraw/zinc/93/19/71/520931971.db2.gz WDYBVKVEBSIJBK-UHFFFAOYSA-N 1 2 369.194 2.751 20 5 FFBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCc3ccc(F)c(Br)c3C2)c1 ZINC000598940518 520931978 /nfs/dbraw/zinc/93/19/78/520931978.db2.gz WDYBVKVEBSIJBK-UHFFFAOYSA-N 1 2 369.194 2.751 20 5 FFBDLO CC(C)CN1C[C@@H]2CN(c3ccc4c[nH+]ccc4c3[N+](=O)[O-])CCN2C1=O ZINC000599072313 521014449 /nfs/dbraw/zinc/01/44/49/521014449.db2.gz BMIDYXXKVRTVQP-HNNXBMFYSA-N 1 2 369.425 2.725 20 5 FFBDLO O=C(Cc1cn2c([nH+]1)CCCC2)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000593486134 521025103 /nfs/dbraw/zinc/02/51/03/521025103.db2.gz MCHLCISKFNTISW-SFHVURJKSA-N 1 2 372.450 2.944 20 5 FFBDLO O=C(NCC[NH+]1Cc2ccccc2C1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000611195473 521031491 /nfs/dbraw/zinc/03/14/91/521031491.db2.gz GJDNAZYAASEGCW-UHFFFAOYSA-N 1 2 350.378 2.822 20 5 FFBDLO CCNc1ccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1[N+](=O)[O-] ZINC000601972541 521048263 /nfs/dbraw/zinc/04/82/63/521048263.db2.gz GTYDVDPPQNDCOX-UHFFFAOYSA-N 1 2 369.425 2.952 20 5 FFBDLO CC[C@@H](NC(=O)c1cccc(Cn2nc([N+](=O)[O-])cc2C)c1)c1[nH]cc[nH+]1 ZINC000593612451 521108027 /nfs/dbraw/zinc/10/80/27/521108027.db2.gz LBFYTXBKIAQABV-OAHLLOKOSA-N 1 2 368.397 2.752 20 5 FFBDLO C[C@H](O)[C@@H]([NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1F ZINC000593656129 521134291 /nfs/dbraw/zinc/13/42/91/521134291.db2.gz BVWDUJANGUPMFE-BBATYDOGSA-N 1 2 362.357 2.717 20 5 FFBDLO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000602201216 521205192 /nfs/dbraw/zinc/20/51/92/521205192.db2.gz VKBOVNUUOHJVTR-UHFFFAOYSA-N 1 2 374.828 2.644 20 5 FFBDLO Cn1nccc1[C@H]1c2[nH]c[nH+]c2CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000599446002 521232421 /nfs/dbraw/zinc/23/24/21/521232421.db2.gz WZQNRWSDNIMPIH-KRWDZBQOSA-N 1 2 372.816 2.853 20 5 FFBDLO CC(C)c1ccc(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000615220773 521320049 /nfs/dbraw/zinc/32/00/49/521320049.db2.gz VUXKQZYZVWXHIM-INIZCTEOSA-N 1 2 361.442 2.655 20 5 FFBDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)Cc2ccccc21 ZINC000599667141 521379136 /nfs/dbraw/zinc/37/91/36/521379136.db2.gz CKZSJYHTMALTNY-INIZCTEOSA-N 1 2 356.378 2.876 20 5 FFBDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)Cc2ccccc21 ZINC000599667141 521379142 /nfs/dbraw/zinc/37/91/42/521379142.db2.gz CKZSJYHTMALTNY-INIZCTEOSA-N 1 2 356.378 2.876 20 5 FFBDLO Cc1cn2c([nH+]1)CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])CC2 ZINC000611893927 521383565 /nfs/dbraw/zinc/38/35/65/521383565.db2.gz HXTMRFPBERZWDN-UHFFFAOYSA-N 1 2 365.187 2.518 20 5 FFBDLO Cn1ncc(C2CCC2)c1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000596976816 521417797 /nfs/dbraw/zinc/41/77/97/521417797.db2.gz ACKIDQKKBXZKOT-UHFFFAOYSA-N 1 2 355.442 2.918 20 5 FFBDLO CN(CCOC(C)(C)C)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000619154464 521421786 /nfs/dbraw/zinc/42/17/86/521421786.db2.gz GPKYGRJAKVYMFT-UHFFFAOYSA-N 1 2 351.447 2.678 20 5 FFBDLO COC(=O)[C@](C)(NCCCc1ccc(C)[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000602736458 521504777 /nfs/dbraw/zinc/50/47/77/521504777.db2.gz MWZGBIYNYWUWMP-LJQANCHMSA-N 1 2 357.410 2.909 20 5 FFBDLO Nc1c(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc(Cl)cc1[N+](=O)[O-] ZINC000597099936 521505622 /nfs/dbraw/zinc/50/56/22/521505622.db2.gz HMUKDEWCLDJBQC-UHFFFAOYSA-N 1 2 364.793 2.965 20 5 FFBDLO Cc1cc(N2C[C@@H](O)CC(F)(F)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000615731781 521516242 /nfs/dbraw/zinc/51/62/42/521516242.db2.gz NEUIPARAEMRBMV-ZDUSSCGKSA-N 1 2 350.325 2.567 20 5 FFBDLO COC(=O)[C@H](COC(C)C)[N@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000615834588 521552179 /nfs/dbraw/zinc/55/21/79/521552179.db2.gz WNBLPWKQEWXUJS-DZXKJOIRSA-N 1 2 350.415 2.897 20 5 FFBDLO COC(=O)[C@H](COC(C)C)[N@@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000615834588 521552184 /nfs/dbraw/zinc/55/21/84/521552184.db2.gz WNBLPWKQEWXUJS-DZXKJOIRSA-N 1 2 350.415 2.897 20 5 FFBDLO O=[N+]([O-])c1cc2c(cc1CNc1ccc(-c3cncnc3)c[nH+]1)OCCO2 ZINC000619591018 521786835 /nfs/dbraw/zinc/78/68/35/521786835.db2.gz VVJWGAZPQYCGLO-UHFFFAOYSA-N 1 2 365.349 2.830 20 5 FFBDLO O=[N+]([O-])c1cnc(Nc2ccc(NC3CCCC3)[nH+]c2)c(-c2nn[nH]n2)c1 ZINC000738374976 598501455 /nfs/dbraw/zinc/50/14/55/598501455.db2.gz VWPUZKSTARSVOU-UHFFFAOYSA-N 1 2 367.373 2.663 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000444668966 729877176 /nfs/dbraw/zinc/87/71/76/729877176.db2.gz CZXGCRITRIOLME-ZDUSSCGKSA-N 1 2 360.439 2.827 20 5 FFBDLO CC(C)(C)OC(=O)[C@@]1(C)CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000859381755 730452828 /nfs/dbraw/zinc/45/28/28/730452828.db2.gz WENXAZVEJKBGED-MAUKXSAKSA-N 1 2 350.415 2.824 20 5 FFBDLO CC(C)(C)OC(=O)[C@@]1(C)CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000859381755 730452829 /nfs/dbraw/zinc/45/28/29/730452829.db2.gz WENXAZVEJKBGED-MAUKXSAKSA-N 1 2 350.415 2.824 20 5 FFBDLO CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000872074120 731726668 /nfs/dbraw/zinc/72/66/68/731726668.db2.gz BQHGKSLTHQVYCY-KBPBESRZSA-N 1 2 353.488 2.814 20 5 FFBDLO CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000872074120 731726670 /nfs/dbraw/zinc/72/66/70/731726670.db2.gz BQHGKSLTHQVYCY-KBPBESRZSA-N 1 2 353.488 2.814 20 5 FFBDLO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000872074123 731726696 /nfs/dbraw/zinc/72/66/96/731726696.db2.gz BQHGKSLTHQVYCY-ZIAGYGMSSA-N 1 2 353.488 2.814 20 5 FFBDLO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000872074123 731726700 /nfs/dbraw/zinc/72/67/00/731726700.db2.gz BQHGKSLTHQVYCY-ZIAGYGMSSA-N 1 2 353.488 2.814 20 5 FFBDLO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CCO[C@H](C(F)F)CC2)c1 ZINC000872680572 731813409 /nfs/dbraw/zinc/81/34/09/731813409.db2.gz JRWSQPCXCNKHKZ-HNNXBMFYSA-N 1 2 352.341 2.772 20 5 FFBDLO O=[N+]([O-])c1ccccc1-c1cnn(C[N@H+]2CCO[C@H](C(F)F)CC2)c1 ZINC000872680572 731813410 /nfs/dbraw/zinc/81/34/10/731813410.db2.gz JRWSQPCXCNKHKZ-HNNXBMFYSA-N 1 2 352.341 2.772 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@@H](O)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000780765017 738575148 /nfs/dbraw/zinc/57/51/48/738575148.db2.gz USFXJNRKZULLJW-HZPDHXFCSA-N 1 2 358.423 2.802 20 5 FFBDLO CC(C)(O)C1CC[NH+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000879626978 732736134 /nfs/dbraw/zinc/73/61/34/732736134.db2.gz VZWXNVNKYPAFFY-UHFFFAOYSA-N 1 2 355.822 2.670 20 5 FFBDLO O=[N+]([O-])c1ncccc1C[NH2+][C@@H](CO)c1ccccc1OC(F)(F)F ZINC000886184280 733757834 /nfs/dbraw/zinc/75/78/34/733757834.db2.gz YJMXQDQLTLSZLY-LBPRGKRZSA-N 1 2 357.288 2.712 20 5 FFBDLO CC(C)n1ccn(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1=S ZINC000782858498 738759631 /nfs/dbraw/zinc/75/96/31/738759631.db2.gz AHJBWYHMYCMPIK-UHFFFAOYSA-N 1 2 350.448 2.999 20 5 FFBDLO CSc1cccc(C(=O)NCc2nc(C[NH+](C)C)cs2)c1[N+](=O)[O-] ZINC000927767093 738780172 /nfs/dbraw/zinc/78/01/72/738780172.db2.gz RYUAFQYYPCWMKZ-UHFFFAOYSA-N 1 2 366.468 2.765 20 5 FFBDLO O=C(OCc1csc([N+](=O)[O-])c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741381503 735137104 /nfs/dbraw/zinc/13/71/04/735137104.db2.gz DDTDLDVYAKCQCB-HNNXBMFYSA-N 1 2 362.407 2.601 20 5 FFBDLO O=C(OCc1csc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741381503 735137106 /nfs/dbraw/zinc/13/71/06/735137106.db2.gz DDTDLDVYAKCQCB-HNNXBMFYSA-N 1 2 362.407 2.601 20 5 FFBDLO O=C(C[N@@H+]1CCOCC2(CCC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000759918487 736603832 /nfs/dbraw/zinc/60/38/32/736603832.db2.gz RZQVPCBGWHKTEC-UHFFFAOYSA-N 1 2 353.806 2.689 20 5 FFBDLO O=C(C[N@H+]1CCOCC2(CCC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000759918487 736603834 /nfs/dbraw/zinc/60/38/34/736603834.db2.gz RZQVPCBGWHKTEC-UHFFFAOYSA-N 1 2 353.806 2.689 20 5 FFBDLO COC(=O)c1cc([N+](=O)[O-])c(NCC[N@@H+]2CCOCC2(C)C)cc1Cl ZINC000765490709 737124068 /nfs/dbraw/zinc/12/40/68/737124068.db2.gz OJGRYZVSEYNVIR-UHFFFAOYSA-N 1 2 371.821 2.558 20 5 FFBDLO COC(=O)c1cc([N+](=O)[O-])c(NCC[N@H+]2CCOCC2(C)C)cc1Cl ZINC000765490709 737124072 /nfs/dbraw/zinc/12/40/72/737124072.db2.gz OJGRYZVSEYNVIR-UHFFFAOYSA-N 1 2 371.821 2.558 20 5 FFBDLO COc1ccc(C[NH2+]Cc2csc(-c3ccn(C)n3)n2)cc1[N+](=O)[O-] ZINC000921611844 738013399 /nfs/dbraw/zinc/01/33/99/738013399.db2.gz LJROXVYFXSUGDF-UHFFFAOYSA-N 1 2 359.411 2.750 20 5 FFBDLO O=C(CCCn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000777083955 738260570 /nfs/dbraw/zinc/26/05/70/738260570.db2.gz NRUGUSAYDMLYKW-UHFFFAOYSA-N 1 2 353.176 2.973 20 5 FFBDLO O=C(N1CCC[C@H](n2cc[nH+]c2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778258297 738367227 /nfs/dbraw/zinc/36/72/27/738367227.db2.gz PLPLUUSJPJDQMM-AWEZNQCLSA-N 1 2 350.325 2.747 20 5 FFBDLO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000930127404 739062765 /nfs/dbraw/zinc/06/27/65/739062765.db2.gz RMEGKTMXHRYGBY-CYBMUJFWSA-N 1 2 368.231 2.554 20 5 FFBDLO O=C1CCCN1[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000930127404 739062771 /nfs/dbraw/zinc/06/27/71/739062771.db2.gz RMEGKTMXHRYGBY-CYBMUJFWSA-N 1 2 368.231 2.554 20 5 FFBDLO COCCO[C@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000800850601 740556097 /nfs/dbraw/zinc/55/60/97/740556097.db2.gz RGZORGOSUHFJRD-AWEZNQCLSA-N 1 2 368.821 2.683 20 5 FFBDLO COCCO[C@H]1CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000800850601 740556098 /nfs/dbraw/zinc/55/60/98/740556098.db2.gz RGZORGOSUHFJRD-AWEZNQCLSA-N 1 2 368.821 2.683 20 5 FFBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC001005376333 742252995 /nfs/dbraw/zinc/25/29/95/742252995.db2.gz SZUFIFKPOMUFLE-GDBMZVCRSA-N 1 2 369.824 2.567 20 5 FFBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000824270260 743047654 /nfs/dbraw/zinc/04/76/54/743047654.db2.gz KUJBPDWQXNUXII-RWMBFGLXSA-N 1 2 367.471 2.544 20 5 FFBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000824270260 743047667 /nfs/dbraw/zinc/04/76/67/743047667.db2.gz KUJBPDWQXNUXII-RWMBFGLXSA-N 1 2 367.471 2.544 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1F ZINC000824830336 743158828 /nfs/dbraw/zinc/15/88/28/743158828.db2.gz OFSWWSNSBUJRQY-UHFFFAOYSA-N 1 2 350.325 2.924 20 5 FFBDLO COC(=O)N(C)CC[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000827340964 743559062 /nfs/dbraw/zinc/55/90/62/743559062.db2.gz WQDIFYGVRLQQCA-UHFFFAOYSA-N 1 2 364.427 2.848 20 5 FFBDLO COC(=O)N(C)CC[N@@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000827340964 743559069 /nfs/dbraw/zinc/55/90/69/743559069.db2.gz WQDIFYGVRLQQCA-UHFFFAOYSA-N 1 2 364.427 2.848 20 5 FFBDLO COC(=O)NC1CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000827934315 745003837 /nfs/dbraw/zinc/00/38/37/745003837.db2.gz KKIFDUVJQGDCIR-UHFFFAOYSA-N 1 2 372.219 2.678 20 5 FFBDLO CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000839719848 746903015 /nfs/dbraw/zinc/90/30/15/746903015.db2.gz ANCSVHFMNLDGDJ-MPESAESLSA-N 1 2 369.824 2.784 20 5 FFBDLO CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000839719848 746903019 /nfs/dbraw/zinc/90/30/19/746903019.db2.gz ANCSVHFMNLDGDJ-MPESAESLSA-N 1 2 369.824 2.784 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]CC1SCCS1)c1ccc([N+](=O)[O-])cc1 ZINC000850559565 749387681 /nfs/dbraw/zinc/38/76/81/749387681.db2.gz DQMRVWRJPNWLPZ-AWEZNQCLSA-N 1 2 350.469 2.813 20 5 FFBDLO Cc1noc(C[N@H+]2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000851792965 749677659 /nfs/dbraw/zinc/67/76/59/749677659.db2.gz VOEGTUDQCQQMMT-LBPRGKRZSA-N 1 2 354.407 2.723 20 5 FFBDLO Cc1noc(C[N@@H+]2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000851792965 749677660 /nfs/dbraw/zinc/67/76/60/749677660.db2.gz VOEGTUDQCQQMMT-LBPRGKRZSA-N 1 2 354.407 2.723 20 5 FFBDLO Cc1nn(C[NH+]2CCC(CCC(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000853551886 750090554 /nfs/dbraw/zinc/09/05/54/750090554.db2.gz MTNNOSBVDWSPJK-UHFFFAOYSA-N 1 2 352.435 2.891 20 5 FFBDLO Cc1cc(N)nc(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH+]1 ZINC000022089216 845041589 /nfs/dbraw/zinc/04/15/89/845041589.db2.gz NDYXRAMRQULOCR-UHFFFAOYSA-N 1 2 353.791 2.660 20 5 FFBDLO O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CC(Oc2cc[nH+]cc2)C1 ZINC000683546722 960926215 /nfs/dbraw/zinc/92/62/15/960926215.db2.gz XDALXSWAOKXWAY-UHFFFAOYSA-N 1 2 371.396 2.980 20 5 FFBDLO COc1c(O)ccc(C[N@H+](C)Cc2ccc3c(c2)OCCO3)c1[N+](=O)[O-] ZINC000891487831 964379204 /nfs/dbraw/zinc/37/92/04/964379204.db2.gz NYUYLMQVJCYATJ-UHFFFAOYSA-N 1 2 360.366 2.712 20 5 FFBDLO COc1c(O)ccc(C[N@@H+](C)Cc2ccc3c(c2)OCCO3)c1[N+](=O)[O-] ZINC000891487831 964379215 /nfs/dbraw/zinc/37/92/15/964379215.db2.gz NYUYLMQVJCYATJ-UHFFFAOYSA-N 1 2 360.366 2.712 20 5 FFBDLO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCN(c3ccc(F)cc3F)CC2)c1 ZINC001175460646 1013493006 /nfs/dbraw/zinc/49/30/06/1013493006.db2.gz AUYZDODBVWDEOZ-GOSISDBHSA-N 1 2 363.364 2.729 20 5 FFBDLO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874888759 1013923306 /nfs/dbraw/zinc/92/33/06/1013923306.db2.gz QFUJJFGUQZQZFE-INIZCTEOSA-N 1 2 361.348 2.589 20 5 FFBDLO CCN(Cc1ccccn1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001126914222 977403780 /nfs/dbraw/zinc/40/37/80/977403780.db2.gz BFBZYRHYIHWAKU-UHFFFAOYSA-N 1 2 351.366 2.838 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](CCc3ccncc3)CC2)c1C ZINC000913364873 984250122 /nfs/dbraw/zinc/25/01/22/984250122.db2.gz IZNWQRGUYXTVTQ-UHFFFAOYSA-N 1 2 368.437 2.607 20 5 FFBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCOC[C@@H]2C[C@@H](O)c2ccccc2)cc1 ZINC000157755871 984639251 /nfs/dbraw/zinc/63/92/51/984639251.db2.gz XNYDVGFSLXODHS-AZUAARDMSA-N 1 2 372.421 2.798 20 5 FFBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2ccccc2)cc1 ZINC000157755871 984639254 /nfs/dbraw/zinc/63/92/54/984639254.db2.gz XNYDVGFSLXODHS-AZUAARDMSA-N 1 2 372.421 2.798 20 5 FFBDLO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1nnc2ccccn21 ZINC000172610770 985627334 /nfs/dbraw/zinc/62/73/34/985627334.db2.gz GAWZBDGADRONCD-SNVBAGLBSA-N 1 2 374.788 2.580 20 5 FFBDLO COc1ccc(NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000444928835 986114784 /nfs/dbraw/zinc/11/47/84/986114784.db2.gz HRMWRXHFJCWGDZ-LBPRGKRZSA-N 1 2 359.386 2.748 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000451220086 987378769 /nfs/dbraw/zinc/37/87/69/987378769.db2.gz QLBMEEKWFZJICM-HNNXBMFYSA-N 1 2 370.409 2.697 20 5 FFBDLO CN(C)c1cc(CSc2nc3cc([N+](=O)[O-])ccc3c(=O)n2C)cc[nH+]1 ZINC000762483649 988403820 /nfs/dbraw/zinc/40/38/20/988403820.db2.gz MAQVNGDBTLPGTO-UHFFFAOYSA-N 1 2 371.422 2.595 20 5 FFBDLO COc1ccc(C(N)=[NH+]OCc2ccc(OC)c([N+](=O)[O-])c2)cc1OC ZINC000917400046 990208514 /nfs/dbraw/zinc/20/85/14/990208514.db2.gz GWXUFVRNAFZLMA-UHFFFAOYSA-N 1 2 361.354 2.667 20 5 FFBDLO COc1cccc2c1CC[C@@]2(CO)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000880384978 1015823124 /nfs/dbraw/zinc/82/31/24/1015823124.db2.gz VLAMQSOGRJTEHW-SFHVURJKSA-N 1 2 364.348 2.805 20 5 FFBDLO C[C@@]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593288401 994654888 /nfs/dbraw/zinc/65/48/88/994654888.db2.gz ISXHZJXWBFQXRG-KRWDZBQOSA-N 1 2 372.406 2.932 20 5 FFBDLO COc1cccc2c1CN(C(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)C2 ZINC001132272349 994789654 /nfs/dbraw/zinc/78/96/54/994789654.db2.gz AXDYXCRQZZKBIY-UHFFFAOYSA-N 1 2 364.361 2.945 20 5 FFBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1C(=O)C2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000811771834 995238644 /nfs/dbraw/zinc/23/86/44/995238644.db2.gz GHNQJVIINXLKNJ-ZWKOTPCHSA-N 1 2 373.453 2.587 20 5 FFBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1C(=O)C2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000811771834 995238652 /nfs/dbraw/zinc/23/86/52/995238652.db2.gz GHNQJVIINXLKNJ-ZWKOTPCHSA-N 1 2 373.453 2.587 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)nc1 ZINC000747839743 995634721 /nfs/dbraw/zinc/63/47/21/995634721.db2.gz DIVFLQPWSLLCAB-GFCCVEGCSA-N 1 2 361.333 2.724 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)nc1 ZINC000747839743 995634726 /nfs/dbraw/zinc/63/47/26/995634726.db2.gz DIVFLQPWSLLCAB-GFCCVEGCSA-N 1 2 361.333 2.724 20 5 FFBDLO Cc1nn(C[NH+]2CCC(Cc3nc([C@H]4C[C@@H]4C)no3)CC2)cc1[N+](=O)[O-] ZINC000844729674 998099508 /nfs/dbraw/zinc/09/95/08/998099508.db2.gz GPYVYGVRBMVBAE-FZMZJTMJSA-N 1 2 360.418 2.518 20 5 FFBDLO O=C(OCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741382491 999725617 /nfs/dbraw/zinc/72/56/17/999725617.db2.gz IOCZRYTYOPVCPE-IBGZPJMESA-N 1 2 370.405 2.582 20 5 FFBDLO O=C(OCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741382491 999725619 /nfs/dbraw/zinc/72/56/19/999725619.db2.gz IOCZRYTYOPVCPE-IBGZPJMESA-N 1 2 370.405 2.582 20 5 FFBDLO C[N@H+](CC(F)F)C1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000742237382 999765687 /nfs/dbraw/zinc/76/56/87/999765687.db2.gz IRZSUVOUQWWLOQ-UHFFFAOYSA-N 1 2 370.400 2.585 20 5 FFBDLO C[N@@H+](CC(F)F)C1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000742237382 999765689 /nfs/dbraw/zinc/76/56/89/999765689.db2.gz IRZSUVOUQWWLOQ-UHFFFAOYSA-N 1 2 370.400 2.585 20 5 FFBDLO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000742401508 999773819 /nfs/dbraw/zinc/77/38/19/999773819.db2.gz VAVBCKQEAKMQAM-AWEZNQCLSA-N 1 2 357.370 2.589 20 5 FFBDLO Cc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1[N+](=O)[O-] ZINC000768302738 1000203466 /nfs/dbraw/zinc/20/34/66/1000203466.db2.gz LUOYUOPYRNXGSI-UHFFFAOYSA-N 1 2 357.370 2.529 20 5 FFBDLO COc1cc(C(=O)OCc2cccc3[nH+]ccn32)c([N+](=O)[O-])cc1OC ZINC000770924916 1000955685 /nfs/dbraw/zinc/95/56/85/1000955685.db2.gz KJQDUNRXOVAWJZ-UHFFFAOYSA-N 1 2 357.322 2.617 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000771502934 1001131016 /nfs/dbraw/zinc/13/10/16/1001131016.db2.gz CDJOFZVDBPYOPL-UHFFFAOYSA-N 1 2 360.370 2.946 20 5 FFBDLO COc1c(C)c[nH+]c(CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)c1C ZINC000771504323 1001133038 /nfs/dbraw/zinc/13/30/38/1001133038.db2.gz RVRKHNLETOMBDA-UHFFFAOYSA-N 1 2 373.394 2.550 20 5 FFBDLO O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCCn1cc[nH+]c1 ZINC000771897750 1001241398 /nfs/dbraw/zinc/24/13/98/1001241398.db2.gz UGJOUJJDOHVQQK-UHFFFAOYSA-N 1 2 372.303 2.856 20 5 FFBDLO C[C@H](OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000785676539 1001466657 /nfs/dbraw/zinc/46/66/57/1001466657.db2.gz VMSSRJODAJGCEZ-NSHDSACASA-N 1 2 361.354 2.668 20 5 FFBDLO Cc1nn(C[N@@H+]2CCCC[C@@H]2CCNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000808188634 1004769532 /nfs/dbraw/zinc/76/95/32/1004769532.db2.gz BDWDQFHKRIVJRX-CQSZACIVSA-N 1 2 367.450 2.827 20 5 FFBDLO Cc1nn(C[N@H+]2CCCC[C@@H]2CCNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000808188634 1004769539 /nfs/dbraw/zinc/76/95/39/1004769539.db2.gz BDWDQFHKRIVJRX-CQSZACIVSA-N 1 2 367.450 2.827 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000776275809 1005341705 /nfs/dbraw/zinc/34/17/05/1005341705.db2.gz LGLCJSGFRAQAGQ-MSOLQXFVSA-N 1 2 370.384 2.880 20 5 FFBDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000106856586 1005364698 /nfs/dbraw/zinc/36/46/98/1005364698.db2.gz IXEBDOKMQRROCJ-ZDUSSCGKSA-N 1 2 361.402 2.501 20 5 FFBDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000106856586 1005364701 /nfs/dbraw/zinc/36/47/01/1005364701.db2.gz IXEBDOKMQRROCJ-ZDUSSCGKSA-N 1 2 361.402 2.501 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000775168905 1006596438 /nfs/dbraw/zinc/59/64/38/1006596438.db2.gz UGLIQABGPRPAQI-QZTJIDSGSA-N 1 2 370.384 2.880 20 5 FFBDLO Cn1c(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)ccc1[N+](=O)[O-] ZINC000816396107 1007025744 /nfs/dbraw/zinc/02/57/44/1007025744.db2.gz FPRNGPXJYGDCCN-CYBMUJFWSA-N 1 2 371.441 2.991 20 5 FFBDLO Cn1c(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000816396107 1007025755 /nfs/dbraw/zinc/02/57/55/1007025755.db2.gz FPRNGPXJYGDCCN-CYBMUJFWSA-N 1 2 371.441 2.991 20 5 FFBDLO Cc1nn(C[NH+]2CCC(C(=O)OC(C)C)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000884475173 1007458283 /nfs/dbraw/zinc/45/82/83/1007458283.db2.gz ASNXTQXNOIWHKW-UHFFFAOYSA-N 1 2 360.414 2.874 20 5 FFBDLO O=C(OCc1cccc(C[NH+]2CCOCC2)c1)c1cc([N+](=O)[O-])ccc1F ZINC000817181941 1007461196 /nfs/dbraw/zinc/46/11/96/1007461196.db2.gz HTFFWJPZCSMCRL-UHFFFAOYSA-N 1 2 374.368 2.923 20 5 FFBDLO CC(C)[C@@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCCCC1 ZINC000859567249 1008566218 /nfs/dbraw/zinc/56/62/18/1008566218.db2.gz DNXZQXNMVZKTAE-KRWDZBQOSA-N 1 2 366.389 2.970 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)c1cccc([N+](=O)[O-])c1 ZINC000886701476 1008829763 /nfs/dbraw/zinc/82/97/63/1008829763.db2.gz QDOJIOOWUQJHPT-DLBZAZTESA-N 1 2 356.426 2.967 20 5 FFBDLO Cc1cn(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000863295245 1010162908 /nfs/dbraw/zinc/16/29/08/1010162908.db2.gz WTYTWQUGZHJLTG-CABCVRRESA-N 1 2 374.466 2.783 20 5 FFBDLO Cc1cn(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000863295245 1010162914 /nfs/dbraw/zinc/16/29/14/1010162914.db2.gz WTYTWQUGZHJLTG-CABCVRRESA-N 1 2 374.466 2.783 20 5 FFBDLO O=[N+]([O-])c1ccc(Nc2cnn(CC[NH+]3CCOCC3)c2)c(C(F)F)c1 ZINC000865505994 1010802257 /nfs/dbraw/zinc/80/22/57/1010802257.db2.gz KJEPJHXLQJXVQD-UHFFFAOYSA-N 1 2 367.356 2.805 20 5 FFBDLO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]c1ccc(N2CCNC(=O)C2)cc1 ZINC000866315050 1010975078 /nfs/dbraw/zinc/97/50/78/1010975078.db2.gz FUQJBMNVOZKLJC-CYBMUJFWSA-N 1 2 372.400 2.713 20 5 FFBDLO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000796172612 1011249686 /nfs/dbraw/zinc/24/96/86/1011249686.db2.gz JXOIFFYMXXJXLU-ZDUSSCGKSA-N 1 2 369.393 2.843 20 5 FFBDLO CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000796172612 1011249699 /nfs/dbraw/zinc/24/96/99/1011249699.db2.gz JXOIFFYMXXJXLU-ZDUSSCGKSA-N 1 2 369.393 2.843 20 5 FFBDLO C[C@@H](O)[C@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(=O)OC(C)(C)C ZINC001172911281 1012122543 /nfs/dbraw/zinc/12/25/43/1012122543.db2.gz IETGVACQOSZOCP-PVUWLOKVSA-N 1 2 364.442 2.523 20 5 FFBDLO COc1cccc([C@@H]2CN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)CC[NH2+]2)c1 ZINC000870147886 1012200022 /nfs/dbraw/zinc/20/00/22/1012200022.db2.gz SUBNDSFZUIJHTL-KWEPMOPPSA-N 1 2 367.405 2.790 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2(c3nc(C)no3)CC2)c1F ZINC001173182889 1012325904 /nfs/dbraw/zinc/32/59/04/1012325904.db2.gz VBFWKIPSVQQLGA-VIFPVBQESA-N 1 2 350.350 2.644 20 5 FFBDLO COC(=O)[C@@](C)(Cc1ccc(O)cc1)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173214620 1012370059 /nfs/dbraw/zinc/37/00/59/1012370059.db2.gz CYEPMRPLXIRWPJ-JLTOFOAXSA-N 1 2 372.421 2.995 20 5 FFBDLO O=C(N[C@H](C1CCC1)[C@H]1CCOC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000871290146 1012829435 /nfs/dbraw/zinc/82/94/35/1012829435.db2.gz MFGPLSBMSIUHGV-MAUKXSAKSA-N 1 2 370.409 2.716 20 5 FFBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC000930680305 1020132124 /nfs/dbraw/zinc/13/21/24/1020132124.db2.gz GFKSPWQZBPYDEO-JSGCOSHPSA-N 1 2 374.363 2.612 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000935678493 1021813607 /nfs/dbraw/zinc/81/36/07/1021813607.db2.gz ZDGIILKAEPZLPJ-DJIMGWMZSA-N 1 2 354.410 2.838 20 5 FFBDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1cc(F)ccc1[N+](=O)[O-] ZINC000751322027 1022797378 /nfs/dbraw/zinc/79/73/78/1022797378.db2.gz SKAHRYOHYUVDJO-UHFFFAOYSA-N 1 2 354.341 2.909 20 5 FFBDLO O=C(Nc1ccc([N+](=O)[O-])c2ccccc12)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001123446420 1023805914 /nfs/dbraw/zinc/80/59/14/1023805914.db2.gz INCZJCSSGXGLKG-AWEZNQCLSA-N 1 2 370.409 2.686 20 5 FFBDLO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCCc2cn(C)c[nH+]2)CC1 ZINC000837715905 1025980804 /nfs/dbraw/zinc/98/08/04/1025980804.db2.gz RQIUWGSOGLJVEH-UHFFFAOYSA-N 1 2 371.441 2.537 20 5 FFBDLO O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000839991357 1026900961 /nfs/dbraw/zinc/90/09/61/1026900961.db2.gz DOONIGWZXPZMPP-SCLBCKFNSA-N 1 2 357.366 2.572 20 5 FFBDLO O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000839991357 1026900968 /nfs/dbraw/zinc/90/09/68/1026900968.db2.gz DOONIGWZXPZMPP-SCLBCKFNSA-N 1 2 357.366 2.572 20 5 FFBDLO CC(C)[C@]1(C)NC(=O)N(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000840124271 1026968447 /nfs/dbraw/zinc/96/84/47/1026968447.db2.gz ISDFMPPQRFVALL-BEFAXECRSA-N 1 2 374.441 2.698 20 5 FFBDLO CC(C)[C@]1(C)NC(=O)N(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000840124271 1026968452 /nfs/dbraw/zinc/96/84/52/1026968452.db2.gz ISDFMPPQRFVALL-BEFAXECRSA-N 1 2 374.441 2.698 20 5 FFBDLO CCc1[nH]nc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)c1[N+](=O)[O-] ZINC000795615299 1027241198 /nfs/dbraw/zinc/24/11/98/1027241198.db2.gz MAHCDPVOZQYXPP-UHFFFAOYSA-N 1 2 355.354 2.731 20 5 FFBDLO CNC(=O)c1ccc(NCCn2c[nH+]cc2-c2ccccc2)c([N+](=O)[O-])c1 ZINC001163831724 1029082650 /nfs/dbraw/zinc/08/26/50/1029082650.db2.gz UJYOLRLDNWECOK-UHFFFAOYSA-N 1 2 365.393 2.930 20 5 FFBDLO CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)c1c2ccccc2cc2ccccc21 ZINC001158013125 1029709241 /nfs/dbraw/zinc/70/92/41/1029709241.db2.gz CHHJNJXUORITRZ-IBGZPJMESA-N 1 2 362.429 2.970 20 5 FFBDLO CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)c1c2ccccc2cc2ccccc21 ZINC001158013126 1029709287 /nfs/dbraw/zinc/70/92/87/1029709287.db2.gz CHHJNJXUORITRZ-LJQANCHMSA-N 1 2 362.429 2.970 20 5 FFBDLO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CC[C@H](Nc4ncccn4)C3)c2c(Cl)c1 ZINC000842613871 1030823610 /nfs/dbraw/zinc/82/36/10/1030823610.db2.gz APMGZLFCLOSUHO-LBPRGKRZSA-N 1 2 373.804 2.532 20 5 FFBDLO O=[N+]([O-])c1cc2cnn(C[N@H+]3CC[C@H](Nc4ncccn4)C3)c2c(Cl)c1 ZINC000842613871 1030823631 /nfs/dbraw/zinc/82/36/31/1030823631.db2.gz APMGZLFCLOSUHO-LBPRGKRZSA-N 1 2 373.804 2.532 20 5 FFBDLO C[C@@H]1C[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC2(CCCC2)O1 ZINC000842644373 1030870403 /nfs/dbraw/zinc/87/04/03/1030870403.db2.gz FGSNOPGUCMEPQI-CQSZACIVSA-N 1 2 357.414 2.844 20 5 FFBDLO C[C@@H]1C[N@@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC2(CCCC2)O1 ZINC000842644373 1030870426 /nfs/dbraw/zinc/87/04/26/1030870426.db2.gz FGSNOPGUCMEPQI-CQSZACIVSA-N 1 2 357.414 2.844 20 5 FFBDLO Cc1[nH]c(CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])[nH+]c1C ZINC001149405099 1031504638 /nfs/dbraw/zinc/50/46/38/1031504638.db2.gz SODQSCUKBRRZLT-UHFFFAOYSA-N 1 2 351.366 2.927 20 5 FFBDLO CC(C)COC(=O)[C@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000798869963 1031571156 /nfs/dbraw/zinc/57/11/56/1031571156.db2.gz SWIMQRKEEWCTNC-LBPRGKRZSA-N 1 2 361.354 2.525 20 5 FFBDLO CC1(C)[C@H](OC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@H]2CCO[C@H]21 ZINC000835176621 1035602818 /nfs/dbraw/zinc/60/28/18/1035602818.db2.gz IFRAJMRIUWIUME-APHBMKBZSA-N 1 2 357.366 2.751 20 5 FFBDLO Cc1cc2nc3nc(=O)[nH]c(O[C@@H]4CCC[N@@H+](C)CC4)c3nc2cc1C ZINC001228687154 1036256711 /nfs/dbraw/zinc/25/67/11/1036256711.db2.gz SJTCNKBBAPMYFN-CYBMUJFWSA-N 1 2 353.426 2.759 20 5 FFBDLO Cc1cc2nc3nc(=O)[nH]c(O[C@@H]4CCC[N@H+](C)CC4)c3nc2cc1C ZINC001228687154 1036256728 /nfs/dbraw/zinc/25/67/28/1036256728.db2.gz SJTCNKBBAPMYFN-CYBMUJFWSA-N 1 2 353.426 2.759 20 5 FFBDLO CC[N@H+]1CC[C@H](Oc2c(O)ccc3c(=O)c4c(O)cc(O)cc4oc32)C1 ZINC001234751243 1037166461 /nfs/dbraw/zinc/16/64/61/1037166461.db2.gz VNNRHUQQKVZLLS-NSHDSACASA-N 1 2 357.362 2.536 20 5 FFBDLO COC(=O)[C@@H]1C[C@@H](Oc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)C[N@@H+]1C ZINC001230940941 1037415494 /nfs/dbraw/zinc/41/54/94/1037415494.db2.gz HRGZUBOZJQPILF-MSOLQXFVSA-N 1 2 356.378 2.886 20 5 FFBDLO COC(=O)[C@@H]1C[C@@H](Oc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)C[N@H+]1C ZINC001230940941 1037415504 /nfs/dbraw/zinc/41/55/04/1037415504.db2.gz HRGZUBOZJQPILF-MSOLQXFVSA-N 1 2 356.378 2.886 20 5 FFBDLO COc1ccc(NC(=O)N2CCC(c3c[nH+]cn3C)CC2)c([N+](=O)[O-])c1 ZINC001207867518 1037796720 /nfs/dbraw/zinc/79/67/20/1037796720.db2.gz HUGNDHIZRRSDIC-UHFFFAOYSA-N 1 2 359.386 2.748 20 5 FFBDLO Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc(C)[nH+]1 ZINC001253049267 1039945292 /nfs/dbraw/zinc/94/52/92/1039945292.db2.gz NKRDBXQMPFTNJX-UHFFFAOYSA-N 1 2 355.803 2.791 20 5 FFBDLO COc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccncc2)cc1[N+](=O)[O-] ZINC001320860954 1045483647 /nfs/dbraw/zinc/48/36/47/1045483647.db2.gz JXZRWBAPZSGUJD-MRXNPFEDSA-N 1 2 370.409 2.992 20 5 FFBDLO COc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccncc2)cc1[N+](=O)[O-] ZINC001320860954 1045483649 /nfs/dbraw/zinc/48/36/49/1045483649.db2.gz JXZRWBAPZSGUJD-MRXNPFEDSA-N 1 2 370.409 2.992 20 5 FFBDLO CC(C)N(CC[N@H+](C)Cc1ccc(Cl)s1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001284533737 1046565889 /nfs/dbraw/zinc/56/58/89/1046565889.db2.gz QAEDSBWIUMLSOY-CHWSQXEVSA-N 1 2 359.879 2.736 20 5 FFBDLO CC(C)N(CC[N@@H+](C)Cc1ccc(Cl)s1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001284533737 1046565898 /nfs/dbraw/zinc/56/58/98/1046565898.db2.gz QAEDSBWIUMLSOY-CHWSQXEVSA-N 1 2 359.879 2.736 20 5 FFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCn1c[nH+]cc1-c1ccccc1 ZINC001301783365 1050982017 /nfs/dbraw/zinc/98/20/17/1050982017.db2.gz XNPYYOFPEXZZSB-UHFFFAOYSA-N 1 2 351.366 2.592 20 5 FFBDLO CC(C)CCCC[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001308654783 1052482351 /nfs/dbraw/zinc/48/23/51/1052482351.db2.gz ZQKCKLKCZZNYKS-UHFFFAOYSA-N 1 2 369.487 2.727 20 5 FFBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CC[NH+](Cc2cn[nH]c2)CC1 ZINC001351404149 1056246890 /nfs/dbraw/zinc/24/68/90/1056246890.db2.gz TUDUHQVNWMMKJT-UHFFFAOYSA-N 1 2 370.240 2.943 20 5 FFBDLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001545111018 1071735385 /nfs/dbraw/zinc/73/53/85/1071735385.db2.gz CRDZVYGVHGZWNL-UHFFFAOYSA-N 1 2 362.389 2.925 20 5 FFBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001445951589 1058462517 /nfs/dbraw/zinc/46/25/17/1058462517.db2.gz MYGDVQZTVXYUHS-UHFFFAOYSA-N 1 2 362.349 2.563 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001451868612 1059159883 /nfs/dbraw/zinc/15/98/83/1059159883.db2.gz BWBAPZRHBULXPP-QAPCUYQASA-N 1 2 367.405 2.647 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001451868612 1059159895 /nfs/dbraw/zinc/15/98/95/1059159895.db2.gz BWBAPZRHBULXPP-QAPCUYQASA-N 1 2 367.405 2.647 20 5 FFBDLO O=C(NCCOCc1ccccc1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001354932775 1059663308 /nfs/dbraw/zinc/66/33/08/1059663308.db2.gz QUMQGPCXKQKJIR-UHFFFAOYSA-N 1 2 366.377 2.727 20 5 FFBDLO CC[C@@H]1COC(C)(C)C[N@@H+]1CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848490287 1060146087 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ZKGIHQGUVYAHFR-UHFFFAOYSA-N 1 2 368.393 2.948 20 5 FFBDLO O=C(NCc1cccc(F)c1F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001461928530 1061453529 /nfs/dbraw/zinc/45/35/29/1061453529.db2.gz XAXCGPUCBDWKQG-UHFFFAOYSA-N 1 2 358.304 2.989 20 5 FFBDLO C[C@H]1C[N@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)[C@@H](C)CO1 ZINC001477223705 1061631783 /nfs/dbraw/zinc/63/17/83/1061631783.db2.gz PNTYPTYHIASSHH-KBPBESRZSA-N 1 2 372.425 2.979 20 5 FFBDLO C[C@H]1C[N@@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)[C@@H](C)CO1 ZINC001477223705 1061631792 /nfs/dbraw/zinc/63/17/92/1061631792.db2.gz PNTYPTYHIASSHH-KBPBESRZSA-N 1 2 372.425 2.979 20 5 FFBDLO Cc1cc(S(=O)(=O)Oc2ccc(-n3cc[nH+]c3)cc2)c([N+](=O)[O-])s1 ZINC001462693297 1061731147 /nfs/dbraw/zinc/73/11/47/1061731147.db2.gz DFTRUSQWASJEBT-UHFFFAOYSA-N 1 2 365.392 2.918 20 5 FFBDLO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCc1cccc(Cn2cc[nH+]c2)c1 ZINC001528068573 1061737942 /nfs/dbraw/zinc/73/79/42/1061737942.db2.gz JGNOZEALVMZCON-UHFFFAOYSA-N 1 2 368.368 2.838 20 5 FFBDLO COc1cc(COC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)ccn1 ZINC001462739216 1061751353 /nfs/dbraw/zinc/75/13/53/1061751353.db2.gz NQQVOAOREWCQOH-UHFFFAOYSA-N 1 2 354.322 2.541 20 5 FFBDLO COc1ccc(F)cc1CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001523665022 1062567347 /nfs/dbraw/zinc/56/73/47/1062567347.db2.gz WEVCQCIBLUTYJA-UHFFFAOYSA-N 1 2 370.340 2.858 20 5 FFBDLO Cc1cc(OCC(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)ccc1[N+](=O)[O-] ZINC001438570150 1063014453 /nfs/dbraw/zinc/01/44/53/1063014453.db2.gz DMWZGJUCSFEQGZ-GOSISDBHSA-N 1 2 355.394 2.585 20 5 FFBDLO Cc1cc(OCC(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)ccc1[N+](=O)[O-] ZINC001438570150 1063014473 /nfs/dbraw/zinc/01/44/73/1063014473.db2.gz DMWZGJUCSFEQGZ-GOSISDBHSA-N 1 2 355.394 2.585 20 5 FFBDLO Cc1cccn2c(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)cnc12 ZINC001532522058 1063104656 /nfs/dbraw/zinc/10/46/56/1063104656.db2.gz HSKYGBZFWSVDOL-UHFFFAOYSA-N 1 2 362.349 2.989 20 5 FFBDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001467548086 1063778129 /nfs/dbraw/zinc/77/81/29/1063778129.db2.gz FOVLYSLLBYMYNF-CQSZACIVSA-N 1 2 372.425 2.980 20 5 FFBDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001467548086 1063778134 /nfs/dbraw/zinc/77/81/34/1063778134.db2.gz FOVLYSLLBYMYNF-CQSZACIVSA-N 1 2 372.425 2.980 20 5 FFBDLO O=C(NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cc2c[nH+]ccc2[nH]1 ZINC001471819311 1064803703 /nfs/dbraw/zinc/80/37/03/1064803703.db2.gz UNXGGBVKMVSNTN-UHFFFAOYSA-N 1 2 364.365 2.710 20 5 FFBDLO O=C(NCc1[nH]c2c([nH+]1)CCCC2)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001472065319 1064915668 /nfs/dbraw/zinc/91/56/68/1064915668.db2.gz VDZPGDTZQZJTPX-UHFFFAOYSA-N 1 2 366.324 2.728 20 5 FFBDLO O=[N+]([O-])c1sc(-c2nn[nH]n2)cc1NCc1ccccc1-n1cc[nH+]c1 ZINC001582805040 1079111671 /nfs/dbraw/zinc/11/16/71/1079111671.db2.gz WXSQJPHFAIFRDH-UHFFFAOYSA-N 1 2 368.382 2.634 20 5 FFBDLO O=C(COc1ccc([N+](=O)[O-])cc1)NCCn1c[nH+]cc1-c1ccccc1 ZINC001557757468 1075884822 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/nfs/dbraw/zinc/93/06/02/1076930602.db2.gz XWDIWQZQPJKZHN-CYBMUJFWSA-N 1 2 366.377 2.764 20 5 FFBDLO O=C(N[C@H]1CCn2c[nH+]cc21)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001585868303 1079507481 /nfs/dbraw/zinc/50/74/81/1079507481.db2.gz HKNVQJFKRLFADW-LBPRGKRZSA-N 1 2 355.379 2.790 20 5 FFBDLO COc1ccc(OCC[N@H+](C)Cc2nccn2C(F)F)c([N+](=O)[O-])c1 ZINC000173520161 251198286 /nfs/dbraw/zinc/19/82/86/251198286.db2.gz JNZLHIZDHULZRM-UHFFFAOYSA-N 1 2 356.329 2.706 20 5 FFBDLO COc1ccc(OCC[N@@H+](C)Cc2nccn2C(F)F)c([N+](=O)[O-])c1 ZINC000173520161 251198290 /nfs/dbraw/zinc/19/82/90/251198290.db2.gz JNZLHIZDHULZRM-UHFFFAOYSA-N 1 2 356.329 2.706 20 5 FFBDLO CC(C)[N@@H+]1CCO[C@H](c2noc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)n2)C1 ZINC000272700309 252106324 /nfs/dbraw/zinc/10/63/24/252106324.db2.gz WCCKAUDYVHXQHC-INIZCTEOSA-N 1 2 371.397 2.832 20 5 FFBDLO CC(C)[N@H+]1CCO[C@H](c2noc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)n2)C1 ZINC000272700309 252106327 /nfs/dbraw/zinc/10/63/27/252106327.db2.gz WCCKAUDYVHXQHC-INIZCTEOSA-N 1 2 371.397 2.832 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000276091364 256071583 /nfs/dbraw/zinc/07/15/83/256071583.db2.gz WBAVRDSVOBYNEV-CJNGLKHVSA-N 1 2 373.413 2.987 20 5 FFBDLO CCOC(=O)c1cc(C(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)cc([N+](=O)[O-])c1 ZINC000276689559 256121826 /nfs/dbraw/zinc/12/18/26/256121826.db2.gz XJEPMTYJBDHQOK-AWEZNQCLSA-N 1 2 360.370 2.622 20 5 FFBDLO Cc1cc(N2CC[C@@H](C)[S@@](=O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000277188192 256169836 /nfs/dbraw/zinc/16/98/36/256169836.db2.gz OJJLRACEWMQCCB-SHZVTRLKSA-N 1 2 360.439 2.708 20 5 FFBDLO COC(=O)[C@H]1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C ZINC000276911755 256141844 /nfs/dbraw/zinc/14/18/44/256141844.db2.gz NQHUUQIZPCZYSY-WBMJQRKESA-N 1 2 370.409 2.996 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H]1[C@H]1CCCO1 ZINC000285810212 257005744 /nfs/dbraw/zinc/00/57/44/257005744.db2.gz NHHGINKHLQWRSX-NVXWUHKLSA-N 1 2 356.382 2.564 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000278885232 256358688 /nfs/dbraw/zinc/35/86/88/256358688.db2.gz UCDKFFJGNUPPOO-SNVBAGLBSA-N 1 2 361.320 2.816 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@H](CC(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000278885232 256358689 /nfs/dbraw/zinc/35/86/89/256358689.db2.gz UCDKFFJGNUPPOO-SNVBAGLBSA-N 1 2 361.320 2.816 20 5 FFBDLO CCc1cc(NCCC2(O)CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000286265727 257028420 /nfs/dbraw/zinc/02/84/20/257028420.db2.gz GZVYERGWEIYKGL-UHFFFAOYSA-N 1 2 372.425 2.958 20 5 FFBDLO Cc1c(NC(=O)CC[N@@H+]2CCOC[C@@H]2CC(F)F)cccc1[N+](=O)[O-] ZINC000286484602 257039377 /nfs/dbraw/zinc/03/93/77/257039377.db2.gz OPRGZXLAPONFOB-LBPRGKRZSA-N 1 2 357.357 2.588 20 5 FFBDLO Cc1c(NC(=O)CC[N@H+]2CCOC[C@@H]2CC(F)F)cccc1[N+](=O)[O-] ZINC000286484602 257039378 /nfs/dbraw/zinc/03/93/78/257039378.db2.gz OPRGZXLAPONFOB-LBPRGKRZSA-N 1 2 357.357 2.588 20 5 FFBDLO CN(C)c1cccnc1CN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000289688119 257293851 /nfs/dbraw/zinc/29/38/51/257293851.db2.gz HZTKOWVILKJKQG-SFHVURJKSA-N 1 2 366.425 2.669 20 5 FFBDLO CC1(C)CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H]1[C@@H]1CCCO1 ZINC000291210191 257391560 /nfs/dbraw/zinc/39/15/60/257391560.db2.gz LZGBPSOLIRXOIS-DLBZAZTESA-N 1 2 370.409 2.810 20 5 FFBDLO Cc1cc(NCCCc2cnn(C)n2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000292887465 257521391 /nfs/dbraw/zinc/52/13/91/257521391.db2.gz VLHDDJGRDUDECZ-UHFFFAOYSA-N 1 2 353.386 2.533 20 5 FFBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000301114859 258026081 /nfs/dbraw/zinc/02/60/81/258026081.db2.gz PFBNXTRCACMJKG-UHFFFAOYSA-N 1 2 355.398 2.562 20 5 FFBDLO Cc1cc(N2CC[NH+](CC(=O)N(C)C3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000301174783 258031368 /nfs/dbraw/zinc/03/13/68/258031368.db2.gz FWANBKOUKIAJJP-UHFFFAOYSA-N 1 2 374.485 2.816 20 5 FFBDLO COC(=O)c1cnc(NCc2ccc(-n3cc[nH+]c3)cc2)c([N+](=O)[O-])c1 ZINC000302657237 258107522 /nfs/dbraw/zinc/10/75/22/258107522.db2.gz AGHAWHZLLDVEKG-UHFFFAOYSA-N 1 2 353.338 2.574 20 5 FFBDLO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000301773670 258066942 /nfs/dbraw/zinc/06/69/42/258066942.db2.gz MMQSHRJYYDAQLN-GFCCVEGCSA-N 1 2 374.372 2.996 20 5 FFBDLO CC(C)(C)[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1O ZINC000330856205 258172144 /nfs/dbraw/zinc/17/21/44/258172144.db2.gz NNMOEOCOZBFXRG-SWLSCSKDSA-N 1 2 369.849 2.916 20 5 FFBDLO CC(C)(C)[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1O ZINC000330856205 258172145 /nfs/dbraw/zinc/17/21/45/258172145.db2.gz NNMOEOCOZBFXRG-SWLSCSKDSA-N 1 2 369.849 2.916 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc[nH+]c1N1CCCCC1 ZINC000109210061 132244759 /nfs/dbraw/zinc/24/47/59/132244759.db2.gz OFOPCWDCIRIEOF-UHFFFAOYSA-N 1 2 370.409 2.919 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCOC[C@H]1c1ccco1 ZINC000370911675 512129849 /nfs/dbraw/zinc/12/98/49/512129849.db2.gz OBVOROUTMGHLMX-INIZCTEOSA-N 1 2 368.349 2.587 20 5 FFBDLO Cc1ccc(C(=O)N2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000052752562 506245879 /nfs/dbraw/zinc/24/58/79/506245879.db2.gz YCTSXVDFJRJCRW-UHFFFAOYSA-N 1 2 369.421 2.740 20 5 FFBDLO O=C(NCCc1ccccc1F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032488873 506259112 /nfs/dbraw/zinc/25/91/12/506259112.db2.gz MHFCWRVGFCTDCX-UHFFFAOYSA-N 1 2 354.341 2.892 20 5 FFBDLO Cc1nc(CN2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)cs1 ZINC000065533272 506319215 /nfs/dbraw/zinc/31/92/15/506319215.db2.gz LYAJAXWDCDKPMC-UHFFFAOYSA-N 1 2 362.455 2.556 20 5 FFBDLO O=[N+]([O-])c1cccc(C[NH+]2CCN(c3ncnc4ccsc43)CC2)c1 ZINC000065947151 506398875 /nfs/dbraw/zinc/39/88/75/506398875.db2.gz RXIWUPDBKJIZSK-UHFFFAOYSA-N 1 2 355.423 2.922 20 5 FFBDLO CNC(=O)c1ccc(NCc2ccc(N3CCCC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000053557667 506404222 /nfs/dbraw/zinc/40/42/22/506404222.db2.gz DJSOJRYHSSJRTC-UHFFFAOYSA-N 1 2 355.398 2.562 20 5 FFBDLO CNc1ccc(C(=O)NCCn2c(C)[nH+]c3ccccc32)cc1[N+](=O)[O-] ZINC000008135370 506625690 /nfs/dbraw/zinc/62/56/90/506625690.db2.gz PROYOOHGKJRHAE-UHFFFAOYSA-N 1 2 353.382 2.725 20 5 FFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000054910799 506646248 /nfs/dbraw/zinc/64/62/48/506646248.db2.gz JJWOKDVRHHGJID-UHFFFAOYSA-N 1 2 361.427 2.993 20 5 FFBDLO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCCn3cc[nH+]c3)cc2[N+](=O)[O-])C1 ZINC000043947834 506800407 /nfs/dbraw/zinc/80/04/07/506800407.db2.gz SRPWENUKMHXNSL-HUUCEWRRSA-N 1 2 371.441 2.704 20 5 FFBDLO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000371280482 512303437 /nfs/dbraw/zinc/30/34/37/512303437.db2.gz PYBGWJZRXNKEEC-CQSZACIVSA-N 1 2 372.428 2.552 20 5 FFBDLO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000371280482 512303440 /nfs/dbraw/zinc/30/34/40/512303440.db2.gz PYBGWJZRXNKEEC-CQSZACIVSA-N 1 2 372.428 2.552 20 5 FFBDLO O=C(NCc1ccc(N2CCCCC2)[nH+]c1)NCc1cccc([N+](=O)[O-])c1 ZINC000067536630 506915767 /nfs/dbraw/zinc/91/57/67/506915767.db2.gz FXCDEHIJUKGEOP-UHFFFAOYSA-N 1 2 369.425 2.980 20 5 FFBDLO C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000014923884 507004912 /nfs/dbraw/zinc/00/49/12/507004912.db2.gz RIWFESXOUAQLKP-CQSZACIVSA-N 1 2 372.400 2.883 20 5 FFBDLO C[C@H](C(=O)N1CCCCCC1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000014924042 507004946 /nfs/dbraw/zinc/00/49/46/507004946.db2.gz XQMOYGPLRMALGC-MRXNPFEDSA-N 1 2 360.458 2.508 20 5 FFBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000056460275 507019238 /nfs/dbraw/zinc/01/92/38/507019238.db2.gz JVSNRJVFJDAHPS-UHFFFAOYSA-N 1 2 360.439 2.684 20 5 FFBDLO CN(C(=O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CCCCC1 ZINC000015443047 507041939 /nfs/dbraw/zinc/04/19/39/507041939.db2.gz CHBHWTWBMALMEJ-UHFFFAOYSA-N 1 2 360.458 2.508 20 5 FFBDLO O=C(COc1cccc([N+](=O)[O-])c1)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000046332338 507117501 /nfs/dbraw/zinc/11/75/01/507117501.db2.gz OQZBLDZXHPKGJU-UHFFFAOYSA-N 1 2 360.757 2.591 20 5 FFBDLO O=[N+]([O-])c1ccc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000046577547 507154450 /nfs/dbraw/zinc/15/44/50/507154450.db2.gz VEDAKGNMLREPQI-GOSISDBHSA-N 1 2 372.381 2.988 20 5 FFBDLO CN1CC[NH+](Cc2cccc(NC(=O)Cc3ccccc3[N+](=O)[O-])c2)CC1 ZINC000057053934 507162168 /nfs/dbraw/zinc/16/21/68/507162168.db2.gz NNZUDQVPBDZJHL-UHFFFAOYSA-N 1 2 368.437 2.523 20 5 FFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375439023 512328193 /nfs/dbraw/zinc/32/81/93/512328193.db2.gz QLIPQUFXUISNER-DGCLKSJQSA-N 1 2 371.397 2.672 20 5 FFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375439023 512328197 /nfs/dbraw/zinc/32/81/97/512328197.db2.gz QLIPQUFXUISNER-DGCLKSJQSA-N 1 2 371.397 2.672 20 5 FFBDLO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000022463939 507294530 /nfs/dbraw/zinc/29/45/30/507294530.db2.gz PPGTYPJFULGHTM-KRWDZBQOSA-N 1 2 355.394 2.867 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CCN(Cc3[nH+]ccn3CC(F)(F)F)CC2)cc1 ZINC000057871448 507345174 /nfs/dbraw/zinc/34/51/74/507345174.db2.gz JLADTTBKENSMEF-UHFFFAOYSA-N 1 2 369.347 2.676 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000023778842 507373764 /nfs/dbraw/zinc/37/37/64/507373764.db2.gz DOBNNYVIFSVNRX-GOSISDBHSA-N 1 2 368.368 2.916 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000023829230 507376572 /nfs/dbraw/zinc/37/65/72/507376572.db2.gz WRDJYWFEYKWISH-UHFFFAOYSA-N 1 2 371.393 2.745 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000023829230 507376576 /nfs/dbraw/zinc/37/65/76/507376576.db2.gz WRDJYWFEYKWISH-UHFFFAOYSA-N 1 2 371.393 2.745 20 5 FFBDLO Cc1ccc(C)c(NC(=O)C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000047745472 507387706 /nfs/dbraw/zinc/38/77/06/507387706.db2.gz XWHOYYVSGKXTPJ-UHFFFAOYSA-N 1 2 368.437 2.972 20 5 FFBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000047866140 507403335 /nfs/dbraw/zinc/40/33/35/507403335.db2.gz WFACUBZDKOTCJE-VIFPVBQESA-N 1 2 355.301 2.603 20 5 FFBDLO COC(=O)c1ccc(C[N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000026208083 507567352 /nfs/dbraw/zinc/56/73/52/507567352.db2.gz BCFJRTMIXOWDDV-UHFFFAOYSA-N 1 2 371.393 2.760 20 5 FFBDLO COC(=O)c1ccc(C[N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000026208083 507567362 /nfs/dbraw/zinc/56/73/62/507567362.db2.gz BCFJRTMIXOWDDV-UHFFFAOYSA-N 1 2 371.393 2.760 20 5 FFBDLO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccc(F)cc1 ZINC000061779204 507639072 /nfs/dbraw/zinc/63/90/72/507639072.db2.gz YQNWASOFHWGAND-UHFFFAOYSA-N 1 2 361.329 2.533 20 5 FFBDLO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccc(F)cc1 ZINC000061779204 507639078 /nfs/dbraw/zinc/63/90/78/507639078.db2.gz YQNWASOFHWGAND-UHFFFAOYSA-N 1 2 361.329 2.533 20 5 FFBDLO O=[N+]([O-])c1sccc1N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000063256547 507706548 /nfs/dbraw/zinc/70/65/48/507706548.db2.gz PKFBCJZDTALDNI-UHFFFAOYSA-N 1 2 361.423 2.750 20 5 FFBDLO COc1ccc(C[NH+]2CCN(c3ccccc3OC)CC2)cc1[N+](=O)[O-] ZINC000051119174 507739225 /nfs/dbraw/zinc/73/92/25/507739225.db2.gz FQMDGBJMRVOYQR-UHFFFAOYSA-N 1 2 357.410 2.934 20 5 FFBDLO Cc1c(NC(=O)[C@@H](C)Sc2[nH+]cnc3c2cnn3C)cccc1[N+](=O)[O-] ZINC000028761864 507741197 /nfs/dbraw/zinc/74/11/97/507741197.db2.gz RZKVKYHYFMNAFX-SNVBAGLBSA-N 1 2 372.410 2.699 20 5 FFBDLO Cc1nn(C)c(N2CC[NH+](Cc3ccc(F)cc3Cl)CC2)c1[N+](=O)[O-] ZINC000051993651 507793464 /nfs/dbraw/zinc/79/34/64/507793464.db2.gz GBFUFMFPKHDHHV-UHFFFAOYSA-N 1 2 367.812 2.751 20 5 FFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000072558997 507824156 /nfs/dbraw/zinc/82/41/56/507824156.db2.gz IJYVOOZDWIRYNA-INIZCTEOSA-N 1 2 368.437 2.912 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccn(-c4ccccc4)n3)C2)nc1 ZINC000072665277 507840198 /nfs/dbraw/zinc/84/01/98/507840198.db2.gz RLTHUHBZCXUWNA-OAHLLOKOSA-N 1 2 364.409 2.862 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccn(-c4ccccc4)n3)C2)nc1 ZINC000072665277 507840200 /nfs/dbraw/zinc/84/02/00/507840200.db2.gz RLTHUHBZCXUWNA-OAHLLOKOSA-N 1 2 364.409 2.862 20 5 FFBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000089870066 507876599 /nfs/dbraw/zinc/87/65/99/507876599.db2.gz CPULLFVUUGLRTQ-UHFFFAOYSA-N 1 2 368.397 2.893 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@H]3C[NH+]3CCOCC3)co2)cc1 ZINC000089906137 507881306 /nfs/dbraw/zinc/88/13/06/507881306.db2.gz KGCKSSFSGNEORW-SFHVURJKSA-N 1 2 372.425 2.546 20 5 FFBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000078994344 507923416 /nfs/dbraw/zinc/92/34/16/507923416.db2.gz MYHIVOHPFAMFJG-UHFFFAOYSA-N 1 2 369.425 2.531 20 5 FFBDLO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000073954754 507971258 /nfs/dbraw/zinc/97/12/58/507971258.db2.gz JKPSAJKATPOBCG-UHFFFAOYSA-N 1 2 369.421 2.737 20 5 FFBDLO C[C@@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000080045332 508029798 /nfs/dbraw/zinc/02/97/98/508029798.db2.gz MFHTWONPSWKEPN-CQSZACIVSA-N 1 2 355.398 2.583 20 5 FFBDLO COc1ccc([C@H](CO)[N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000112996002 508238491 /nfs/dbraw/zinc/23/84/91/508238491.db2.gz YOFDVYITJFLLAQ-SFHVURJKSA-N 1 2 373.409 2.516 20 5 FFBDLO COc1ccc([C@H](CO)[N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000112996002 508238496 /nfs/dbraw/zinc/23/84/96/508238496.db2.gz YOFDVYITJFLLAQ-SFHVURJKSA-N 1 2 373.409 2.516 20 5 FFBDLO Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)[NH+]2CCCC2)o1 ZINC000101678667 508254020 /nfs/dbraw/zinc/25/40/20/508254020.db2.gz OZNSFGLKGNSYCQ-OAHLLOKOSA-N 1 2 359.382 2.769 20 5 FFBDLO O=C(CCc1cccc([N+](=O)[O-])c1)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000087065239 508334773 /nfs/dbraw/zinc/33/47/73/508334773.db2.gz FRFRKQVJUPBDHM-UHFFFAOYSA-N 1 2 354.410 2.839 20 5 FFBDLO O=C(CCc1cccc([N+](=O)[O-])c1)NCc1[nH+]ccn1CC(F)(F)F ZINC000087279517 508345664 /nfs/dbraw/zinc/34/56/64/508345664.db2.gz XVURKSLBGMHTGZ-UHFFFAOYSA-N 1 2 356.304 2.603 20 5 FFBDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127195523 508413451 /nfs/dbraw/zinc/41/34/51/508413451.db2.gz ITGZFQXXEUOVAO-DOMZBBRYSA-N 1 2 351.309 2.641 20 5 FFBDLO C[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127195523 508413455 /nfs/dbraw/zinc/41/34/55/508413455.db2.gz ITGZFQXXEUOVAO-DOMZBBRYSA-N 1 2 351.309 2.641 20 5 FFBDLO CC1(C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H]2CCCO[C@H]21 ZINC000369405694 512395335 /nfs/dbraw/zinc/39/53/35/512395335.db2.gz DCCUTMHLOFHHSZ-KBRIMQKVSA-N 1 2 370.409 2.714 20 5 FFBDLO O=C(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N1CCCc2ccccc21 ZINC000153201563 508558042 /nfs/dbraw/zinc/55/80/42/508558042.db2.gz BYQQLOFCOAODRJ-UHFFFAOYSA-N 1 2 351.406 2.932 20 5 FFBDLO O=C(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N1CCCc2ccccc21 ZINC000153201563 508558046 /nfs/dbraw/zinc/55/80/46/508558046.db2.gz BYQQLOFCOAODRJ-UHFFFAOYSA-N 1 2 351.406 2.932 20 5 FFBDLO COc1cccc(CNC(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000153249937 508563730 /nfs/dbraw/zinc/56/37/30/508563730.db2.gz NOWRNKRMWKODGZ-UHFFFAOYSA-N 1 2 369.421 2.884 20 5 FFBDLO COc1cccc(CNC(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000153249937 508563733 /nfs/dbraw/zinc/56/37/33/508563733.db2.gz NOWRNKRMWKODGZ-UHFFFAOYSA-N 1 2 369.421 2.884 20 5 FFBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000128652502 508623699 /nfs/dbraw/zinc/62/36/99/508623699.db2.gz HMCOCTMIQVDBHR-MRXNPFEDSA-N 1 2 366.377 2.694 20 5 FFBDLO O=C(NCC1(O)CCCCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000118698898 508665070 /nfs/dbraw/zinc/66/50/70/508665070.db2.gz HNELVBASDKUZDY-UHFFFAOYSA-N 1 2 358.398 2.596 20 5 FFBDLO CCN(CC)c1ccc(CNC(=O)NCc2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000123328656 508670167 /nfs/dbraw/zinc/67/01/67/508670167.db2.gz OKVOUYZKMWFPCZ-UHFFFAOYSA-N 1 2 357.414 2.835 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3nc(-c4cccs4)no3)C2)nc1 ZINC000118866881 508688984 /nfs/dbraw/zinc/68/89/84/508688984.db2.gz CNPOSNBOVKYUDP-NSHDSACASA-N 1 2 372.410 2.788 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3nc(-c4cccs4)no3)C2)nc1 ZINC000118866881 508688988 /nfs/dbraw/zinc/68/89/88/508688988.db2.gz CNPOSNBOVKYUDP-NSHDSACASA-N 1 2 372.410 2.788 20 5 FFBDLO Cc1cccn2cc(CCNC(=O)CCc3cccc([N+](=O)[O-])c3)[nH+]c12 ZINC000154521061 508800870 /nfs/dbraw/zinc/80/08/70/508800870.db2.gz LOAFWFFKRGGNBJ-UHFFFAOYSA-N 1 2 352.394 2.842 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3ncnc4ccsc43)CC2)cc1 ZINC000124397205 508825359 /nfs/dbraw/zinc/82/53/59/508825359.db2.gz GYANWZSPBFMALW-UHFFFAOYSA-N 1 2 355.423 2.922 20 5 FFBDLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000155078067 508918344 /nfs/dbraw/zinc/91/83/44/508918344.db2.gz OLFIPDNGIBIEJU-UHFFFAOYSA-N 1 2 367.203 2.716 20 5 FFBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)COc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000155124782 508928966 /nfs/dbraw/zinc/92/89/66/508928966.db2.gz FWSKRYGNIGKQGZ-INIZCTEOSA-N 1 2 355.350 2.599 20 5 FFBDLO Cc1noc(CN2CC[NH+](Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)n1 ZINC000125342291 508968127 /nfs/dbraw/zinc/96/81/27/508968127.db2.gz UFVLNXJKRDGCAZ-UHFFFAOYSA-N 1 2 359.430 2.727 20 5 FFBDLO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000120366537 508982159 /nfs/dbraw/zinc/98/21/59/508982159.db2.gz FVDJGMIZJZJEAX-UHFFFAOYSA-N 1 2 369.425 2.869 20 5 FFBDLO O=C(COc1cccc([N+](=O)[O-])c1)NCCNc1ccc2ccccc2[nH+]1 ZINC000125920923 509044774 /nfs/dbraw/zinc/04/47/74/509044774.db2.gz ZNMOUSGQDFCILZ-UHFFFAOYSA-N 1 2 366.377 2.750 20 5 FFBDLO CCC(CC)(CCO)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000152008682 509128659 /nfs/dbraw/zinc/12/86/59/509128659.db2.gz ZNGUORJDTFIUIX-UHFFFAOYSA-N 1 2 360.414 2.699 20 5 FFBDLO Cn1nccc1C[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000161560598 509129498 /nfs/dbraw/zinc/12/94/98/509129498.db2.gz PBRBIALWFHOROP-UHFFFAOYSA-N 1 2 369.347 2.669 20 5 FFBDLO Cc1c(NC(=O)CC[N@@H+]2CCO[C@@H](c3ccco3)C2)cccc1[N+](=O)[O-] ZINC000121432797 509173847 /nfs/dbraw/zinc/17/38/47/509173847.db2.gz IXRUFYHQRQZOMS-QGZVFWFLSA-N 1 2 359.382 2.898 20 5 FFBDLO Cc1c(NC(=O)CC[N@H+]2CCO[C@@H](c3ccco3)C2)cccc1[N+](=O)[O-] ZINC000121432797 509173849 /nfs/dbraw/zinc/17/38/49/509173849.db2.gz IXRUFYHQRQZOMS-QGZVFWFLSA-N 1 2 359.382 2.898 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(c2cccs2)CC1 ZINC000121449557 509174432 /nfs/dbraw/zinc/17/44/32/509174432.db2.gz TYEOVGQYSUWSDX-CYBMUJFWSA-N 1 2 360.439 2.806 20 5 FFBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000185538624 509227784 /nfs/dbraw/zinc/22/77/84/509227784.db2.gz HKMVHBHCVAGPAX-SJORKVTESA-N 1 2 368.437 2.954 20 5 FFBDLO COc1ccc(NC(=O)C[NH+]2CCC(OC(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000162545024 509248490 /nfs/dbraw/zinc/24/84/90/509248490.db2.gz VZWYSCMKNHYSFD-UHFFFAOYSA-N 1 2 365.430 2.821 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2Cc3ccccc3C[C@H]2C)c([N+](=O)[O-])c1 ZINC000172912939 509306456 /nfs/dbraw/zinc/30/64/56/509306456.db2.gz GYBBXLSPQPQSTB-CYBMUJFWSA-N 1 2 355.394 2.989 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2Cc3ccccc3C[C@H]2C)c([N+](=O)[O-])c1 ZINC000172912939 509306467 /nfs/dbraw/zinc/30/64/67/509306467.db2.gz GYBBXLSPQPQSTB-CYBMUJFWSA-N 1 2 355.394 2.989 20 5 FFBDLO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248466335 509334465 /nfs/dbraw/zinc/33/44/65/509334465.db2.gz SFHHTJYBULVXGK-MDYRTPRTSA-N 1 2 372.421 2.797 20 5 FFBDLO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248466335 509334468 /nfs/dbraw/zinc/33/44/68/509334468.db2.gz SFHHTJYBULVXGK-MDYRTPRTSA-N 1 2 372.421 2.797 20 5 FFBDLO COc1cc(CCNc2cc(N3CCCC3)nc[nH+]2)c([N+](=O)[O-])cc1OC ZINC000192269673 509436382 /nfs/dbraw/zinc/43/63/82/509436382.db2.gz RSKHDYMTKUODOK-UHFFFAOYSA-N 1 2 373.413 2.657 20 5 FFBDLO COc1cc(CCNc2cc(N3CCCC3)[nH+]cn2)c([N+](=O)[O-])cc1OC ZINC000192269673 509436384 /nfs/dbraw/zinc/43/63/84/509436384.db2.gz RSKHDYMTKUODOK-UHFFFAOYSA-N 1 2 373.413 2.657 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000182841756 509454951 /nfs/dbraw/zinc/45/49/51/509454951.db2.gz GJFBJEXQTNETJC-IRXDYDNUSA-N 1 2 374.485 2.593 20 5 FFBDLO CCOC1CC(CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000189425627 509568960 /nfs/dbraw/zinc/56/89/60/509568960.db2.gz WSCLUZKGPGSUOE-UHFFFAOYSA-N 1 2 358.398 2.716 20 5 FFBDLO O=C(Cc1ccccc1)N1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000179978727 509697946 /nfs/dbraw/zinc/69/79/46/509697946.db2.gz XBDRTBCMIUKOKR-UXBLZVDNSA-N 1 2 365.433 2.995 20 5 FFBDLO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000268033498 509726777 /nfs/dbraw/zinc/72/67/77/509726777.db2.gz FMYWNVXQKXMGSW-JTQLQIEISA-N 1 2 370.818 2.540 20 5 FFBDLO CC(C)NC(=O)c1ccc(N2CCC(n3cc[nH+]c3)CC2)c([N+](=O)[O-])c1 ZINC000264944125 509789593 /nfs/dbraw/zinc/78/95/93/509789593.db2.gz SRVHYPHHZZPTBV-UHFFFAOYSA-N 1 2 357.414 2.771 20 5 FFBDLO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1C ZINC000251694410 509816437 /nfs/dbraw/zinc/81/64/37/509816437.db2.gz JPNIIFFTPXFQIM-FIXISWKDSA-N 1 2 355.822 2.932 20 5 FFBDLO CO[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1C ZINC000251694410 509816440 /nfs/dbraw/zinc/81/64/40/509816440.db2.gz JPNIIFFTPXFQIM-FIXISWKDSA-N 1 2 355.822 2.932 20 5 FFBDLO O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccc2[nH+]ccn2c1 ZINC000170862911 509818475 /nfs/dbraw/zinc/81/84/75/509818475.db2.gz WLTAMTFOPKFBNH-UHFFFAOYSA-N 1 2 354.322 2.656 20 5 FFBDLO Cc1ccc([C@@H](C)NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000193452627 509921324 /nfs/dbraw/zinc/92/13/24/509921324.db2.gz DNEKAOVEMOVZTH-KDOFPFPSSA-N 1 2 361.442 2.724 20 5 FFBDLO Cc1ccc([C@@H](C)NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000193452627 509921331 /nfs/dbraw/zinc/92/13/31/509921331.db2.gz DNEKAOVEMOVZTH-KDOFPFPSSA-N 1 2 361.442 2.724 20 5 FFBDLO Cc1cc(NC(=O)N2CC[NH+](Cc3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000193618745 509992516 /nfs/dbraw/zinc/99/25/16/509992516.db2.gz PNUGHZQZDROOSB-UHFFFAOYSA-N 1 2 355.398 2.648 20 5 FFBDLO Cc1cc(NC(=O)NCc2cccnc2-n2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000193664004 510011410 /nfs/dbraw/zinc/01/14/10/510011410.db2.gz GHCUGYALYONGFW-UHFFFAOYSA-N 1 2 352.354 2.806 20 5 FFBDLO O=[N+]([O-])c1ccccc1N1CCN(Cc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000171373200 510113678 /nfs/dbraw/zinc/11/36/78/510113678.db2.gz MOEAHLVWOKAYLJ-UHFFFAOYSA-N 1 2 369.347 2.676 20 5 FFBDLO Cc1ccc(C[S@](=O)Cc2cc([N+](=O)[O-])cc3c2OCOC3)c(C)[nH+]1 ZINC000187211279 510125203 /nfs/dbraw/zinc/12/52/03/510125203.db2.gz NOVZRRZFLOPKRG-VWLOTQADSA-N 1 2 362.407 2.922 20 5 FFBDLO CC(C)COC[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccco1 ZINC000184186396 510180578 /nfs/dbraw/zinc/18/05/78/510180578.db2.gz XBDWEYHAHCBNGD-HNNXBMFYSA-N 1 2 361.398 2.790 20 5 FFBDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269102044 510235818 /nfs/dbraw/zinc/23/58/18/510235818.db2.gz ABMSHAFPATZTLE-UHFFFAOYSA-N 1 2 362.411 2.995 20 5 FFBDLO COc1cc(C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000184309774 510253935 /nfs/dbraw/zinc/25/39/35/510253935.db2.gz YWPFEMOTBVNEAN-MQNRADLISA-N 1 2 366.414 2.952 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCCCNc1cccc[nH+]1 ZINC000171651380 510281918 /nfs/dbraw/zinc/28/19/18/510281918.db2.gz WFJOCVUKVGFFOL-UHFFFAOYSA-N 1 2 373.413 2.690 20 5 FFBDLO CN(C)c1[nH+]cccc1CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184388387 510298639 /nfs/dbraw/zinc/29/86/39/510298639.db2.gz JWMFHYBXIYHQDO-UHFFFAOYSA-N 1 2 363.805 2.709 20 5 FFBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000265986272 510341608 /nfs/dbraw/zinc/34/16/08/510341608.db2.gz ATHVJQSVZJEVMQ-UHFFFAOYSA-N 1 2 356.304 2.555 20 5 FFBDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000184605411 510412691 /nfs/dbraw/zinc/41/26/91/510412691.db2.gz WQQXVDAPOUWZMK-OAHLLOKOSA-N 1 2 369.425 2.578 20 5 FFBDLO CC[C@H]([NH2+]Cc1csc(CS(C)(=O)=O)n1)c1cccc([N+](=O)[O-])c1 ZINC000181532798 510457002 /nfs/dbraw/zinc/45/70/02/510457002.db2.gz NFWATGKMKSIKMM-AWEZNQCLSA-N 1 2 369.468 2.837 20 5 FFBDLO C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H](c2ccsc2)O1 ZINC000246496713 510521904 /nfs/dbraw/zinc/52/19/04/510521904.db2.gz NWXHRYMNOPQVEH-BZNIZROVSA-N 1 2 361.423 2.717 20 5 FFBDLO C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H](c2ccsc2)O1 ZINC000246496713 510521910 /nfs/dbraw/zinc/52/19/10/510521910.db2.gz NWXHRYMNOPQVEH-BZNIZROVSA-N 1 2 361.423 2.717 20 5 FFBDLO Cc1n[nH]c(C(=O)N2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)c1[N+](=O)[O-] ZINC000270024862 510642358 /nfs/dbraw/zinc/64/23/58/510642358.db2.gz AHIWMTFDBZPYSQ-CYBMUJFWSA-N 1 2 368.397 2.589 20 5 FFBDLO Cc1[nH]nc(C(=O)N2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)c1[N+](=O)[O-] ZINC000270024862 510642365 /nfs/dbraw/zinc/64/23/65/510642365.db2.gz AHIWMTFDBZPYSQ-CYBMUJFWSA-N 1 2 368.397 2.589 20 5 FFBDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CC2)S1 ZINC000266641783 510704935 /nfs/dbraw/zinc/70/49/35/510704935.db2.gz CIMPQNPERJQHSN-LLVKDONJSA-N 1 2 374.422 2.590 20 5 FFBDLO COc1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000178728426 510741515 /nfs/dbraw/zinc/74/15/15/510741515.db2.gz SOOJWKHPENADRX-ZDUSSCGKSA-N 1 2 355.394 2.989 20 5 FFBDLO COc1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000178728426 510741523 /nfs/dbraw/zinc/74/15/23/510741523.db2.gz SOOJWKHPENADRX-ZDUSSCGKSA-N 1 2 355.394 2.989 20 5 FFBDLO COc1ccc(NC(=O)C[NH+]2CCC(c3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000191616335 510753714 /nfs/dbraw/zinc/75/37/14/510753714.db2.gz IVRTVAMJQQUJQZ-UHFFFAOYSA-N 1 2 370.409 2.817 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178832649 510794986 /nfs/dbraw/zinc/79/49/86/510794986.db2.gz DPBHADTTYAWFFZ-OLZOCXBDSA-N 1 2 363.414 2.585 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178832649 510794993 /nfs/dbraw/zinc/79/49/93/510794993.db2.gz DPBHADTTYAWFFZ-OLZOCXBDSA-N 1 2 363.414 2.585 20 5 FFBDLO CC[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1cccs1 ZINC000182178618 510798867 /nfs/dbraw/zinc/79/88/67/510798867.db2.gz NVGPFPRUKVVNSE-UHFFFAOYSA-N 1 2 354.453 2.952 20 5 FFBDLO CC[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1cccs1 ZINC000182178618 510798873 /nfs/dbraw/zinc/79/88/73/510798873.db2.gz NVGPFPRUKVVNSE-UHFFFAOYSA-N 1 2 354.453 2.952 20 5 FFBDLO CC(C)[C@H](O)C(C)(C)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178876781 510817036 /nfs/dbraw/zinc/81/70/36/510817036.db2.gz PPIPHMUQEIAATJ-INIZCTEOSA-N 1 2 360.414 2.553 20 5 FFBDLO COc1cc(CCNC(=O)Nc2cc[nH+]cc2C)c([N+](=O)[O-])cc1OC ZINC000271124242 511090006 /nfs/dbraw/zinc/09/00/06/511090006.db2.gz KICMZYDMEDRKDQ-UHFFFAOYSA-N 1 2 360.370 2.680 20 5 FFBDLO O=C(CCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1cccc([N+](=O)[O-])c1 ZINC000294697275 511146593 /nfs/dbraw/zinc/14/65/93/511146593.db2.gz UZWHNAKSPUBKBI-AWEZNQCLSA-N 1 2 356.382 2.687 20 5 FFBDLO C[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000333018099 511178696 /nfs/dbraw/zinc/17/86/96/511178696.db2.gz CQUSXRKXMUOETN-LLVKDONJSA-N 1 2 371.387 2.736 20 5 FFBDLO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000333018099 511178700 /nfs/dbraw/zinc/17/87/00/511178700.db2.gz CQUSXRKXMUOETN-LLVKDONJSA-N 1 2 371.387 2.736 20 5 FFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000279867236 511246140 /nfs/dbraw/zinc/24/61/40/511246140.db2.gz BWJMCQVIQMYNGY-MEDUHNTESA-N 1 2 355.822 2.812 20 5 FFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@@](C)(O)CC1 ZINC000279867236 511246144 /nfs/dbraw/zinc/24/61/44/511246144.db2.gz BWJMCQVIQMYNGY-MEDUHNTESA-N 1 2 355.822 2.812 20 5 FFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291654735 511283343 /nfs/dbraw/zinc/28/33/43/511283343.db2.gz FNDYIGMSLRDMRB-AAEUAGOBSA-N 1 2 363.805 2.719 20 5 FFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@H](n2cccn2)C1 ZINC000291654735 511283354 /nfs/dbraw/zinc/28/33/54/511283354.db2.gz FNDYIGMSLRDMRB-AAEUAGOBSA-N 1 2 363.805 2.719 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000365193026 511308874 /nfs/dbraw/zinc/30/88/74/511308874.db2.gz GLWSFJKJQIFUAR-ZDUSSCGKSA-N 1 2 365.393 2.896 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1(C)C ZINC000295857682 511537073 /nfs/dbraw/zinc/53/70/73/511537073.db2.gz KLPQJPFQOPDTKW-KRWDZBQOSA-N 1 2 367.409 2.893 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000280625248 511538068 /nfs/dbraw/zinc/53/80/68/511538068.db2.gz WYBZSGXKNINCDL-KSSFIOAISA-N 1 2 350.415 2.762 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000280625248 511538078 /nfs/dbraw/zinc/53/80/78/511538078.db2.gz WYBZSGXKNINCDL-KSSFIOAISA-N 1 2 350.415 2.762 20 5 FFBDLO CN(C)c1ccc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c[nH+]1 ZINC000273813917 511617435 /nfs/dbraw/zinc/61/74/35/511617435.db2.gz BEGUCPVEDIGWNF-UHFFFAOYSA-N 1 2 360.389 2.789 20 5 FFBDLO Cn1c(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)ccc1[N+](=O)[O-] ZINC000349837703 511671843 /nfs/dbraw/zinc/67/18/43/511671843.db2.gz HOLZVKJPSOGWSW-HNNXBMFYSA-N 1 2 369.381 2.557 20 5 FFBDLO Cn1c(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)ccc1[N+](=O)[O-] ZINC000349837703 511671844 /nfs/dbraw/zinc/67/18/44/511671844.db2.gz HOLZVKJPSOGWSW-HNNXBMFYSA-N 1 2 369.381 2.557 20 5 FFBDLO O=C(C[N@@H+]1CCC[C@H]1[C@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000284360493 511696294 /nfs/dbraw/zinc/69/62/94/511696294.db2.gz DJKVKBJNOQLWEQ-LSDHHAIUSA-N 1 2 353.806 2.830 20 5 FFBDLO O=C(C[N@H+]1CCC[C@H]1[C@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000284360493 511696296 /nfs/dbraw/zinc/69/62/96/511696296.db2.gz DJKVKBJNOQLWEQ-LSDHHAIUSA-N 1 2 353.806 2.830 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc(C)nc(N2CCCC2)n1 ZINC000292854102 511745233 /nfs/dbraw/zinc/74/52/33/511745233.db2.gz UOGDWKQLBBGCFG-UHFFFAOYSA-N 1 2 371.441 2.982 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000296461200 511753399 /nfs/dbraw/zinc/75/33/99/511753399.db2.gz KZHNXJLVBSGCGS-HNNXBMFYSA-N 1 2 357.414 2.664 20 5 FFBDLO COc1cc(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c([N+](=O)[O-])cc1F ZINC000274357892 511806775 /nfs/dbraw/zinc/80/67/75/511806775.db2.gz YRURRMWKACTRHH-GWCFXTLKSA-N 1 2 352.284 2.630 20 5 FFBDLO COc1cc(C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c([N+](=O)[O-])cc1F ZINC000274357892 511806780 /nfs/dbraw/zinc/80/67/80/511806780.db2.gz YRURRMWKACTRHH-GWCFXTLKSA-N 1 2 352.284 2.630 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(-c3cccc(C[NH+]4CCOCC4)c3)n2)o1 ZINC000351146330 511965225 /nfs/dbraw/zinc/96/52/25/511965225.db2.gz MFMPGZKDYRCWIB-UHFFFAOYSA-N 1 2 356.338 2.737 20 5 FFBDLO CC(C)[N@@H+]1CCO[C@H](c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)C1 ZINC000351239177 511994644 /nfs/dbraw/zinc/99/46/44/511994644.db2.gz VTVKIKCOEIVJCB-INIZCTEOSA-N 1 2 371.397 2.832 20 5 FFBDLO CC(C)[N@H+]1CCO[C@H](c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)C1 ZINC000351239177 511994647 /nfs/dbraw/zinc/99/46/47/511994647.db2.gz VTVKIKCOEIVJCB-INIZCTEOSA-N 1 2 371.397 2.832 20 5 FFBDLO Cc1c(NC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)cccc1[N+](=O)[O-] ZINC000275300188 512098827 /nfs/dbraw/zinc/09/88/27/512098827.db2.gz NDBYSNSUNAQZJL-MLGOLLRUSA-N 1 2 359.386 2.679 20 5 FFBDLO COc1cc(C[N@@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c([N+](=O)[O-])cc1F ZINC000369555334 512475806 /nfs/dbraw/zinc/47/58/06/512475806.db2.gz BIOYJAILOHOGFY-SJKOYZFVSA-N 1 2 354.378 2.512 20 5 FFBDLO COc1cc(C[N@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c([N+](=O)[O-])cc1F ZINC000369555334 512475810 /nfs/dbraw/zinc/47/58/10/512475810.db2.gz BIOYJAILOHOGFY-SJKOYZFVSA-N 1 2 354.378 2.512 20 5 FFBDLO C[C@@H]1C[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000367701309 512623152 /nfs/dbraw/zinc/62/31/52/512623152.db2.gz YYXIGCBBTAQJBV-HIFRSBDPSA-N 1 2 355.394 2.693 20 5 FFBDLO C[C@@H]1C[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000367701309 512623157 /nfs/dbraw/zinc/62/31/57/512623157.db2.gz YYXIGCBBTAQJBV-HIFRSBDPSA-N 1 2 355.394 2.693 20 5 FFBDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411432229 512634020 /nfs/dbraw/zinc/63/40/20/512634020.db2.gz YNONDXNNPJVNNM-ZWKOTPCHSA-N 1 2 366.421 2.879 20 5 FFBDLO O=C(C[NH+]1CCC(n2cc(Cl)cn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000368002406 512758692 /nfs/dbraw/zinc/75/86/92/512758692.db2.gz RKNDDPFLOQGHQV-UHFFFAOYSA-N 1 2 363.805 2.720 20 5 FFBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+]([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000411767216 512801443 /nfs/dbraw/zinc/80/14/43/512801443.db2.gz FKFGHBNQACVOPW-IEBWSBKVSA-N 1 2 351.406 2.909 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@@H](n4cncn4)C3)cs2)c1 ZINC000372363490 512834905 /nfs/dbraw/zinc/83/49/05/512834905.db2.gz CPDQLKDCETVIGO-OAHLLOKOSA-N 1 2 356.411 2.757 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CC[C@@H](n4cncn4)C3)cs2)c1 ZINC000372363490 512834910 /nfs/dbraw/zinc/83/49/10/512834910.db2.gz CPDQLKDCETVIGO-OAHLLOKOSA-N 1 2 356.411 2.757 20 5 FFBDLO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000368613192 513026197 /nfs/dbraw/zinc/02/61/97/513026197.db2.gz JDAUDIBSTXJAQX-OAHLLOKOSA-N 1 2 355.394 2.647 20 5 FFBDLO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000368613192 513026199 /nfs/dbraw/zinc/02/61/99/513026199.db2.gz JDAUDIBSTXJAQX-OAHLLOKOSA-N 1 2 355.394 2.647 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000374874139 513049421 /nfs/dbraw/zinc/04/94/21/513049421.db2.gz IQDQLXVSCGQDOH-LJQANCHMSA-N 1 2 373.384 2.574 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000374874139 513049428 /nfs/dbraw/zinc/04/94/28/513049428.db2.gz IQDQLXVSCGQDOH-LJQANCHMSA-N 1 2 373.384 2.574 20 5 FFBDLO CCCc1n[nH]c(C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000412690454 513225499 /nfs/dbraw/zinc/22/54/99/513225499.db2.gz ANUNOPMCACNGJF-CQSZACIVSA-N 1 2 371.441 2.617 20 5 FFBDLO CCCc1n[nH]c(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000412690454 513225500 /nfs/dbraw/zinc/22/55/00/513225500.db2.gz ANUNOPMCACNGJF-CQSZACIVSA-N 1 2 371.441 2.617 20 5 FFBDLO CCCc1[nH]nc(C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000412690454 513225501 /nfs/dbraw/zinc/22/55/01/513225501.db2.gz ANUNOPMCACNGJF-CQSZACIVSA-N 1 2 371.441 2.617 20 5 FFBDLO CCCc1[nH]nc(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000412690454 513225503 /nfs/dbraw/zinc/22/55/03/513225503.db2.gz ANUNOPMCACNGJF-CQSZACIVSA-N 1 2 371.441 2.617 20 5 FFBDLO COCC1CCC(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000412692514 513227111 /nfs/dbraw/zinc/22/71/11/513227111.db2.gz DGPFGGFXPLNUAP-UHFFFAOYSA-N 1 2 358.398 2.716 20 5 FFBDLO C[C@@]1(CCCO)CCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450532228 513239674 /nfs/dbraw/zinc/23/96/74/513239674.db2.gz NTUODRPEQCGCPM-SFHVURJKSA-N 1 2 358.398 2.548 20 5 FFBDLO CC[C@@H]1C[NH+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C[C@@H](CC)O1 ZINC000421385869 513244825 /nfs/dbraw/zinc/24/48/25/513244825.db2.gz GUNMKAYYHCGRGR-HUUCEWRRSA-N 1 2 366.414 2.536 20 5 FFBDLO C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCO[C@@H]1C1CC1 ZINC000450685567 513304149 /nfs/dbraw/zinc/30/41/49/513304149.db2.gz TZYBLOSLOPHOOL-IEBWSBKVSA-N 1 2 370.409 2.716 20 5 FFBDLO CCOc1cc([N+](=O)[O-])c(C(=O)NCc2cc(C)[nH+]c(C)c2)cc1OC ZINC000421561030 513309291 /nfs/dbraw/zinc/30/92/91/513309291.db2.gz RLPOGLGZRIWHDY-UHFFFAOYSA-N 1 2 359.382 2.944 20 5 FFBDLO O=[N+]([O-])c1ccc(NCc2ccc[nH+]c2N2CCOCC2)c2cccnc21 ZINC000413033429 513397803 /nfs/dbraw/zinc/39/78/03/513397803.db2.gz AKHQOTOWWCLLJG-UHFFFAOYSA-N 1 2 365.393 2.987 20 5 FFBDLO COc1ccc(NC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000429616453 513422506 /nfs/dbraw/zinc/42/25/06/513422506.db2.gz PVYZKCGGCYHOQV-UHFFFAOYSA-N 1 2 359.386 2.800 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CC(C)(C)O[C@@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000440967887 513447013 /nfs/dbraw/zinc/44/70/13/513447013.db2.gz VAZBEPLFLRCKAG-GDBMZVCRSA-N 1 2 363.414 2.574 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CC(C)(C)O[C@@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000440967887 513447016 /nfs/dbraw/zinc/44/70/16/513447016.db2.gz VAZBEPLFLRCKAG-GDBMZVCRSA-N 1 2 363.414 2.574 20 5 FFBDLO C[N@H+](CCN1CCOC(C)(C)C1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000435060476 513501070 /nfs/dbraw/zinc/50/10/70/513501070.db2.gz LGVWRFVUWVIYOR-UHFFFAOYSA-N 1 2 373.400 2.739 20 5 FFBDLO C[N@@H+](CCN1CCOC(C)(C)C1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000435060476 513501076 /nfs/dbraw/zinc/50/10/76/513501076.db2.gz LGVWRFVUWVIYOR-UHFFFAOYSA-N 1 2 373.400 2.739 20 5 FFBDLO CC(C)C[C@H](CCO)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447805942 513575416 /nfs/dbraw/zinc/57/54/16/513575416.db2.gz KZTJCZJIVYJVNF-INIZCTEOSA-N 1 2 365.474 2.884 20 5 FFBDLO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000447815983 513579488 /nfs/dbraw/zinc/57/94/88/513579488.db2.gz IIYAIHUSTBDNDT-WDEREUQCSA-N 1 2 371.821 2.556 20 5 FFBDLO CC[C@H](C)[C@](C)(O)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447818700 513581203 /nfs/dbraw/zinc/58/12/03/513581203.db2.gz YJWXHNJRXVVLPI-KBXCAEBGSA-N 1 2 351.447 2.636 20 5 FFBDLO COc1cccc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)c1[N+](=O)[O-] ZINC000435580946 513624805 /nfs/dbraw/zinc/62/48/05/513624805.db2.gz SRRKIAWWLSFFMQ-MJGOQNOKSA-N 1 2 369.421 2.693 20 5 FFBDLO COc1cccc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)c1[N+](=O)[O-] ZINC000435580946 513624813 /nfs/dbraw/zinc/62/48/13/513624813.db2.gz SRRKIAWWLSFFMQ-MJGOQNOKSA-N 1 2 369.421 2.693 20 5 FFBDLO CC(C)(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCO1 ZINC000451325077 513676574 /nfs/dbraw/zinc/67/65/74/513676574.db2.gz ZCBDLFQAUYQBQT-INIZCTEOSA-N 1 2 358.398 2.668 20 5 FFBDLO CCc1cc(N[C@@H]2CCC[C@@H](CO)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413620110 513738271 /nfs/dbraw/zinc/73/82/71/513738271.db2.gz XCUHZUSWHROQOC-CZUORRHYSA-N 1 2 356.426 2.999 20 5 FFBDLO CC(=O)[C@H](NC(=O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C(C)C ZINC000451550089 513826638 /nfs/dbraw/zinc/82/66/38/513826638.db2.gz QVKIYOYUZXCBDL-QFBILLFUSA-N 1 2 361.442 2.504 20 5 FFBDLO CC(=O)[C@H](NC(=O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C(C)C ZINC000451550089 513826645 /nfs/dbraw/zinc/82/66/45/513826645.db2.gz QVKIYOYUZXCBDL-QFBILLFUSA-N 1 2 361.442 2.504 20 5 FFBDLO NC(=O)CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCOc2ccccc21 ZINC000451720593 513937375 /nfs/dbraw/zinc/93/73/75/513937375.db2.gz XUWCQHBZEHYJSX-KRWDZBQOSA-N 1 2 371.393 2.502 20 5 FFBDLO NC(=O)CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCOc2ccccc21 ZINC000451720593 513937384 /nfs/dbraw/zinc/93/73/84/513937384.db2.gz XUWCQHBZEHYJSX-KRWDZBQOSA-N 1 2 371.393 2.502 20 5 FFBDLO COC[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000452087961 514183386 /nfs/dbraw/zinc/18/33/86/514183386.db2.gz PYPFSUMKFAPFAZ-LBPRGKRZSA-N 1 2 355.822 2.935 20 5 FFBDLO COC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000452087961 514183388 /nfs/dbraw/zinc/18/33/88/514183388.db2.gz PYPFSUMKFAPFAZ-LBPRGKRZSA-N 1 2 355.822 2.935 20 5 FFBDLO NC(=O)c1cccc([N+](=O)[O-])c1NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000420582144 514191617 /nfs/dbraw/zinc/19/16/17/514191617.db2.gz HCMQWDSNIIDNES-UHFFFAOYSA-N 1 2 355.398 2.691 20 5 FFBDLO O=C(NC[C@H](CO)C1CCCCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452139952 514215091 /nfs/dbraw/zinc/21/50/91/514215091.db2.gz BCYFJWBQPHEHFZ-MRXNPFEDSA-N 1 2 372.425 2.699 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000452173767 514228662 /nfs/dbraw/zinc/22/86/62/514228662.db2.gz ZZUHUPUBMUUZPR-MJGOQNOKSA-N 1 2 368.393 2.564 20 5 FFBDLO O=C(NCCCC1CCOCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452199038 514241576 /nfs/dbraw/zinc/24/15/76/514241576.db2.gz LMALHNWTFLSJQO-UHFFFAOYSA-N 1 2 358.398 2.717 20 5 FFBDLO CCOC[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000449862748 514396343 /nfs/dbraw/zinc/39/63/43/514396343.db2.gz YZVTYNXFNBVABN-AWEZNQCLSA-N 1 2 358.398 2.669 20 5 FFBDLO Cc1noc(C)c1C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449908180 514418305 /nfs/dbraw/zinc/41/83/05/514418305.db2.gz SGKTYIHXGMCXJW-NSHDSACASA-N 1 2 369.381 2.746 20 5 FFBDLO CO[C@]1(C)C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1(C)C ZINC000450008632 514463389 /nfs/dbraw/zinc/46/33/89/514463389.db2.gz DBCKVAQUFOHAIT-CRAIPNDOSA-N 1 2 358.398 2.714 20 5 FFBDLO Cc1[nH+]c2ccccc2n1CCCNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000439100719 514493324 /nfs/dbraw/zinc/49/33/24/514493324.db2.gz ROORMTSPYKKVSM-UHFFFAOYSA-N 1 2 353.382 2.854 20 5 FFBDLO CC(C)[C@@H]1C[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCO1 ZINC000452807108 514501772 /nfs/dbraw/zinc/50/17/72/514501772.db2.gz FYXNQEGNFJGFFF-KSSFIOAISA-N 1 2 372.425 2.962 20 5 FFBDLO COc1ccc(CNC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cc1[N+](=O)[O-] ZINC000475030030 514529914 /nfs/dbraw/zinc/52/99/14/514529914.db2.gz KGDQTCZPBJJKTQ-CYBMUJFWSA-N 1 2 372.425 2.871 20 5 FFBDLO COc1ccc(CNC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cc1[N+](=O)[O-] ZINC000475030030 514529917 /nfs/dbraw/zinc/52/99/17/514529917.db2.gz KGDQTCZPBJJKTQ-CYBMUJFWSA-N 1 2 372.425 2.871 20 5 FFBDLO CCOC[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000458071599 514555325 /nfs/dbraw/zinc/55/53/25/514555325.db2.gz CVNQSABPMMFPBH-OAHLLOKOSA-N 1 2 358.398 2.812 20 5 FFBDLO O=[N+]([O-])c1cccc2c1ccnc2NCc1ccc[nH+]c1N1CCOCC1 ZINC000450242694 514561334 /nfs/dbraw/zinc/56/13/34/514561334.db2.gz AHOTYEMPANXXDK-UHFFFAOYSA-N 1 2 365.393 2.987 20 5 FFBDLO CC(C)[C@@H](CO)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)C ZINC000452957597 514574140 /nfs/dbraw/zinc/57/41/40/514574140.db2.gz JGKXWJHFJQPNKW-QAPCUYQASA-N 1 2 374.441 2.799 20 5 FFBDLO O=C1[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]2CCCCN12 ZINC000453615544 514728346 /nfs/dbraw/zinc/72/83/46/514728346.db2.gz FUXDGXLTKRHPHV-GOEBONIOSA-N 1 2 372.450 2.961 20 5 FFBDLO COc1cc(C[NH2+][C@H](c2nc(C)no2)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000498355069 514877283 /nfs/dbraw/zinc/87/72/83/514877283.db2.gz SWDMHGAUPBRYDI-INIZCTEOSA-N 1 2 362.386 2.552 20 5 FFBDLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000462125256 514897750 /nfs/dbraw/zinc/89/77/50/514897750.db2.gz IXWAUOJFTHUZNM-GOSISDBHSA-N 1 2 374.393 2.828 20 5 FFBDLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000462125256 514897756 /nfs/dbraw/zinc/89/77/56/514897756.db2.gz IXWAUOJFTHUZNM-GOSISDBHSA-N 1 2 374.393 2.828 20 5 FFBDLO Cc1[nH+]c2ccc(C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)cc2n1C ZINC000476274732 514979473 /nfs/dbraw/zinc/97/94/73/514979473.db2.gz IOSBPBAKOORSTP-UHFFFAOYSA-N 1 2 350.378 2.988 20 5 FFBDLO Cc1cc[nH+]c(C)c1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000485477246 515055185 /nfs/dbraw/zinc/05/51/85/515055185.db2.gz GPIQLUFWWDWFGH-UHFFFAOYSA-N 1 2 370.365 2.933 20 5 FFBDLO CCN1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@@H]1c1[nH]cc[nH+]1 ZINC000480713128 515057156 /nfs/dbraw/zinc/05/71/56/515057156.db2.gz VFVDHECZDTUPIK-MRXNPFEDSA-N 1 2 352.398 2.749 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccc(F)cc1 ZINC000468731786 515491105 /nfs/dbraw/zinc/49/11/05/515491105.db2.gz CMTDWQYHYSFDQY-MRXNPFEDSA-N 1 2 369.356 2.569 20 5 FFBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492250920 515518501 /nfs/dbraw/zinc/51/85/01/515518501.db2.gz HNNODDAEJUFQLX-UHFFFAOYSA-N 1 2 366.381 2.899 20 5 FFBDLO CCO[C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000456927798 515521068 /nfs/dbraw/zinc/52/10/68/515521068.db2.gz BTACOVMIYYVQJU-RHSMWYFYSA-N 1 2 358.398 2.858 20 5 FFBDLO O=c1ccccn1C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000500460877 515722394 /nfs/dbraw/zinc/72/23/94/515722394.db2.gz IIIHIFMJKWBWPQ-GOSISDBHSA-N 1 2 365.389 2.993 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511094081 515777414 /nfs/dbraw/zinc/77/74/14/515777414.db2.gz SEBCECWGWSRYHN-UHFFFAOYSA-N 1 2 358.320 2.901 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511094081 515777423 /nfs/dbraw/zinc/77/74/23/515777423.db2.gz SEBCECWGWSRYHN-UHFFFAOYSA-N 1 2 358.320 2.901 20 5 FFBDLO COc1cc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc([N+](=O)[O-])c1OC ZINC000469383011 515793449 /nfs/dbraw/zinc/79/34/49/515793449.db2.gz DFBOATJWSNEDFR-WFASDCNBSA-N 1 2 374.397 2.532 20 5 FFBDLO C[C@@H]([NH2+][C@H](C)c1ccn(C)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000459777392 515798896 /nfs/dbraw/zinc/79/88/96/515798896.db2.gz DTOQWZSOEWPMGI-NXEZZACHSA-N 1 2 351.794 2.660 20 5 FFBDLO CCC1(CC)C[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000464588608 515883984 /nfs/dbraw/zinc/88/39/84/515883984.db2.gz PAUGFCSKNQMZLS-UHFFFAOYSA-N 1 2 372.512 2.976 20 5 FFBDLO CCC1(CC)C[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000464588608 515883993 /nfs/dbraw/zinc/88/39/93/515883993.db2.gz PAUGFCSKNQMZLS-UHFFFAOYSA-N 1 2 372.512 2.976 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000469725413 515938920 /nfs/dbraw/zinc/93/89/20/515938920.db2.gz NCGWSTYENKSWNS-UHFFFAOYSA-N 1 2 350.378 2.715 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N(CC(F)(F)F)C1CC1 ZINC000460047762 515994210 /nfs/dbraw/zinc/99/42/10/515994210.db2.gz NDAGBWIRTHMSAI-UHFFFAOYSA-N 1 2 354.288 2.947 20 5 FFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C(=O)c2cccnc2)CC1 ZINC000470175066 516161940 /nfs/dbraw/zinc/16/19/40/516161940.db2.gz XYLIGIYJZLGQKQ-VBKFSLOCSA-N 1 2 366.421 2.851 20 5 FFBDLO CNC(=O)c1ccc(N2CCC(CCCn3cc[nH+]c3)CC2)c([N+](=O)[O-])c1 ZINC000543976032 516522157 /nfs/dbraw/zinc/52/21/57/516522157.db2.gz ZZNUGPSXOQZJTQ-UHFFFAOYSA-N 1 2 371.441 2.848 20 5 FFBDLO CCOC(=O)c1cc(C(=O)Nc2ccc3[nH+]c(C)cn3c2)cc([N+](=O)[O-])c1 ZINC000523707277 516553425 /nfs/dbraw/zinc/55/34/25/516553425.db2.gz SQJFMTDZHZDJLX-UHFFFAOYSA-N 1 2 368.349 2.980 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000544111105 516589183 /nfs/dbraw/zinc/58/91/83/516589183.db2.gz WZZOHUIDMYPBMW-UHFFFAOYSA-N 1 2 369.381 2.559 20 5 FFBDLO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513991419 516824339 /nfs/dbraw/zinc/82/43/39/516824339.db2.gz GKJBJQZKDDVOMQ-INIZCTEOSA-N 1 2 361.785 2.741 20 5 FFBDLO COc1cc(C[N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(OC)c1 ZINC000514095646 516860739 /nfs/dbraw/zinc/86/07/39/516860739.db2.gz SDYGVMPRYKDVRW-UHFFFAOYSA-N 1 2 373.409 2.991 20 5 FFBDLO COc1cc(C[N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(OC)c1 ZINC000514095646 516860749 /nfs/dbraw/zinc/86/07/49/516860749.db2.gz SDYGVMPRYKDVRW-UHFFFAOYSA-N 1 2 373.409 2.991 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2cn3cccc(C)c3[nH+]2)c1 ZINC000558830195 516963358 /nfs/dbraw/zinc/96/33/58/516963358.db2.gz XOSVMQQETYGQEP-UHFFFAOYSA-N 1 2 354.366 2.880 20 5 FFBDLO Cc1ccccc1[C@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000541348519 517004507 /nfs/dbraw/zinc/00/45/07/517004507.db2.gz PYWIWENDVRJPPI-OXQOHEQNSA-N 1 2 372.421 2.716 20 5 FFBDLO Cc1ccccc1[C@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000541348519 517004520 /nfs/dbraw/zinc/00/45/20/517004520.db2.gz PYWIWENDVRJPPI-OXQOHEQNSA-N 1 2 372.421 2.716 20 5 FFBDLO Cc1c(Br)c(NCC[N@H+]2CC=C(C)CC2)ncc1[N+](=O)[O-] ZINC000545163292 517080604 /nfs/dbraw/zinc/08/06/04/517080604.db2.gz HSHVKKBKLGERPH-UHFFFAOYSA-N 1 2 355.236 2.547 20 5 FFBDLO Cc1c(Br)c(NCC[N@@H+]2CC=C(C)CC2)ncc1[N+](=O)[O-] ZINC000545163292 517080615 /nfs/dbraw/zinc/08/06/15/517080615.db2.gz HSHVKKBKLGERPH-UHFFFAOYSA-N 1 2 355.236 2.547 20 5 FFBDLO Cc1c[nH+]ccc1CCNc1ncc([N+](=O)[O-])c(C)c1Br ZINC000541576518 517121075 /nfs/dbraw/zinc/12/10/75/517121075.db2.gz MJOIYLCZYMUQHQ-UHFFFAOYSA-N 1 2 351.204 2.841 20 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ZINC000527435988 517674881 /nfs/dbraw/zinc/67/48/81/517674881.db2.gz CLHIOOBBPUFHRS-UHFFFAOYSA-N 1 2 367.365 2.676 20 5 FFBDLO COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000550105835 517864356 /nfs/dbraw/zinc/86/43/56/517864356.db2.gz VBQVCJLDTIWHIM-LJQANCHMSA-N 1 2 356.378 2.617 20 5 FFBDLO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000550105835 517864368 /nfs/dbraw/zinc/86/43/68/517864368.db2.gz VBQVCJLDTIWHIM-LJQANCHMSA-N 1 2 356.378 2.617 20 5 FFBDLO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000560517409 517867626 /nfs/dbraw/zinc/86/76/26/517867626.db2.gz UMAGRYBSAAHSDP-SHTZXODSSA-N 1 2 370.409 2.908 20 5 FFBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1c(F)cncc1F ZINC000553763003 517891490 /nfs/dbraw/zinc/89/14/90/517891490.db2.gz XNPWFYYYIILTLL-SNVBAGLBSA-N 1 2 373.319 2.945 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+](C)CCc2ccccc2O)c([N+](=O)[O-])c1 ZINC000543248793 517987510 /nfs/dbraw/zinc/98/75/10/517987510.db2.gz KNQQIPOJUAMXLG-UHFFFAOYSA-N 1 2 373.409 2.812 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+](C)CCc2ccccc2O)c([N+](=O)[O-])c1 ZINC000543248793 517987515 /nfs/dbraw/zinc/98/75/15/517987515.db2.gz KNQQIPOJUAMXLG-UHFFFAOYSA-N 1 2 373.409 2.812 20 5 FFBDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000539373335 518014032 /nfs/dbraw/zinc/01/40/32/518014032.db2.gz KITBRHBIGZKNAM-CYBMUJFWSA-N 1 2 360.389 2.591 20 5 FFBDLO Cc1c(Br)c(N2CC[N@@H+](C)C[C@@H]2C(C)C)ncc1[N+](=O)[O-] ZINC000543435187 518088825 /nfs/dbraw/zinc/08/88/25/518088825.db2.gz KSGWHTJNNLRZLE-GFCCVEGCSA-N 1 2 357.252 2.837 20 5 FFBDLO Cc1c(Br)c(N2CC[N@H+](C)C[C@@H]2C(C)C)ncc1[N+](=O)[O-] ZINC000543435187 518088832 /nfs/dbraw/zinc/08/88/32/518088832.db2.gz KSGWHTJNNLRZLE-GFCCVEGCSA-N 1 2 357.252 2.837 20 5 FFBDLO COc1cc(OC)cc([C@H](Nc2ccc([N+](=O)[O-])nc2)c2[nH+]ccn2C)c1 ZINC000560952475 518094540 /nfs/dbraw/zinc/09/45/40/518094540.db2.gz FXGRVASYUHQNMB-KRWDZBQOSA-N 1 2 369.381 2.942 20 5 FFBDLO COc1ccc(-c2ccc(C[N@@H+]3CCN(C)C(=O)C3(C)C)o2)c([N+](=O)[O-])c1 ZINC000539816839 518167489 /nfs/dbraw/zinc/16/74/89/518167489.db2.gz GVZGGBQEDPFCBO-UHFFFAOYSA-N 1 2 373.409 2.916 20 5 FFBDLO COc1ccc(-c2ccc(C[N@H+]3CCN(C)C(=O)C3(C)C)o2)c([N+](=O)[O-])c1 ZINC000539816839 518167493 /nfs/dbraw/zinc/16/74/93/518167493.db2.gz GVZGGBQEDPFCBO-UHFFFAOYSA-N 1 2 373.409 2.916 20 5 FFBDLO O=C(NCC1CC[NH+](CC(F)F)CC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000564312192 518392812 /nfs/dbraw/zinc/39/28/12/518392812.db2.gz FTGQRTNESWUQNE-UHFFFAOYSA-N 1 2 361.776 2.955 20 5 FFBDLO COC(=O)[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000567584791 518599334 /nfs/dbraw/zinc/59/93/34/518599334.db2.gz DZZUEBOAYGYLLL-QGZVFWFLSA-N 1 2 363.414 2.635 20 5 FFBDLO O=C(CCCn1cc[nH+]c1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000585810100 518613979 /nfs/dbraw/zinc/61/39/79/518613979.db2.gz JJRIOCIRALWWLB-UHFFFAOYSA-N 1 2 353.176 2.973 20 5 FFBDLO COc1ccc(C(=O)N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C)CC2)cc1 ZINC000579409337 518663760 /nfs/dbraw/zinc/66/37/60/518663760.db2.gz MYAHHCSKPRBKAY-UHFFFAOYSA-N 1 2 369.421 2.870 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1c[nH+]ccc1N1CCCC1 ZINC000564973032 518723136 /nfs/dbraw/zinc/72/31/36/518723136.db2.gz PRJMKFCMJWZXNU-UHFFFAOYSA-N 1 2 362.411 2.699 20 5 FFBDLO CN(Cc1[nH]cc[nH+]1)c1ccc(I)cc1[N+](=O)[O-] ZINC000570818892 518796581 /nfs/dbraw/zinc/79/65/81/518796581.db2.gz GUDYLNVZBWSEPS-UHFFFAOYSA-N 1 2 358.139 2.559 20 5 FFBDLO Cc1c(NC(=O)CC[N@@H+]2Cc3ccccc3NC(=O)C2)cccc1[N+](=O)[O-] ZINC000579849844 518887072 /nfs/dbraw/zinc/88/70/72/518887072.db2.gz DJUHCLMVLYSSGC-UHFFFAOYSA-N 1 2 368.393 2.686 20 5 FFBDLO Cc1c(NC(=O)CC[N@H+]2Cc3ccccc3NC(=O)C2)cccc1[N+](=O)[O-] ZINC000579849844 518887074 /nfs/dbraw/zinc/88/70/74/518887074.db2.gz DJUHCLMVLYSSGC-UHFFFAOYSA-N 1 2 368.393 2.686 20 5 FFBDLO CCOc1cc(N2CC[NH+](Cc3oc(C)nc3C)CC2)ccc1[N+](=O)[O-] ZINC000589267671 518968681 /nfs/dbraw/zinc/96/86/81/518968681.db2.gz SZXCITHHTGBHNQ-UHFFFAOYSA-N 1 2 360.414 2.921 20 5 FFBDLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000580079339 518998013 /nfs/dbraw/zinc/99/80/13/518998013.db2.gz YTYAFDBCHNQRIF-HZPDHXFCSA-N 1 2 354.410 2.760 20 5 FFBDLO CC(C)[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1(CO)CCC1 ZINC000574560393 519217045 /nfs/dbraw/zinc/21/70/45/519217045.db2.gz ZNFIBCYUFPHLFG-QGZVFWFLSA-N 1 2 372.425 2.698 20 5 FFBDLO COC(=O)c1ccnc(NCCn2c(C)[nH+]c3ccccc32)c1[N+](=O)[O-] ZINC000590571997 519270646 /nfs/dbraw/zinc/27/06/46/519270646.db2.gz LZHSXPGTMHRUJM-UHFFFAOYSA-N 1 2 355.354 2.547 20 5 FFBDLO CC(C)(C)c1n[nH]cc1C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000569270958 519463746 /nfs/dbraw/zinc/46/37/46/519463746.db2.gz UMWZJXFEFDIABL-UHFFFAOYSA-N 1 2 371.441 2.573 20 5 FFBDLO COc1ccc(C)cc1C[NH+]1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000591136842 519525264 /nfs/dbraw/zinc/52/52/64/519525264.db2.gz BATGIHCKJLMVTE-UHFFFAOYSA-N 1 2 360.389 2.768 20 5 FFBDLO C[C@@H](C(=O)NC1CCN(c2cccc[nH+]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000584030569 519555206 /nfs/dbraw/zinc/55/52/06/519555206.db2.gz WUWYIPNEJUOLNF-CQSZACIVSA-N 1 2 354.410 2.879 20 5 FFBDLO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1nnnn1-c1ccccc1 ZINC000594496246 520004383 /nfs/dbraw/zinc/00/43/83/520004383.db2.gz XZZUKGSKSJWOHB-LRDDRELGSA-N 1 2 350.382 2.909 20 5 FFBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[NH+](CCCF)CC1 ZINC000600072434 520030358 /nfs/dbraw/zinc/03/03/58/520030358.db2.gz RZSBUZZJNGJVDQ-UHFFFAOYSA-N 1 2 351.403 2.927 20 5 FFBDLO C[C@H](c1cccc(NC(=O)c2ccc([N+](=O)[O-])n2C)c1)[NH+]1CCOCC1 ZINC000609183110 520223059 /nfs/dbraw/zinc/22/30/59/520223059.db2.gz NMYMEHIQODRUCU-CYBMUJFWSA-N 1 2 358.398 2.579 20 5 FFBDLO O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000609454683 520317023 /nfs/dbraw/zinc/31/70/23/520317023.db2.gz IVWRAYJLWVQOEN-UHFFFAOYSA-N 1 2 352.350 2.589 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc[nH+]c2N2CCCC2)c1 ZINC000597940766 520340489 /nfs/dbraw/zinc/34/04/89/520340489.db2.gz KTUWYXCXVGDGQN-UHFFFAOYSA-N 1 2 356.382 2.529 20 5 FFBDLO Cc1noc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)c1[N+](=O)[O-] ZINC000595288106 520387695 /nfs/dbraw/zinc/38/76/95/520387695.db2.gz GYAPKMYEGDYOEO-UHFFFAOYSA-N 1 2 350.806 2.862 20 5 FFBDLO COc1cc([C@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])cc(OC)c1OC ZINC000595415308 520456323 /nfs/dbraw/zinc/45/63/23/520456323.db2.gz LUOWPCYVRXWPSD-VIFPVBQESA-N 1 2 351.359 2.768 20 5 FFBDLO C[C@@]1(CCNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1(F)F ZINC000598217380 520499635 /nfs/dbraw/zinc/49/96/35/520499635.db2.gz ZZMDWSNTDOHCEO-OAHLLOKOSA-N 1 2 350.325 2.946 20 5 FFBDLO CC(C)(C(=O)N1CC[NH+](Cc2ccco2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000610059558 520520175 /nfs/dbraw/zinc/52/01/75/520520175.db2.gz OMWMSDWMVUKYKE-UHFFFAOYSA-N 1 2 357.410 2.810 20 5 FFBDLO O=C(NCCCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1Br ZINC000610070364 520523936 /nfs/dbraw/zinc/52/39/36/520523936.db2.gz XWBMBFONKYTAGE-UHFFFAOYSA-N 1 2 367.203 2.764 20 5 FFBDLO O=[N+]([O-])c1cc(F)ccc1CN(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000595521318 520527465 /nfs/dbraw/zinc/52/74/65/520527465.db2.gz ARJUMHHJCUBPFX-UHFFFAOYSA-N 1 2 363.389 2.661 20 5 FFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+](CCN1CCOCC1)Cc1ccco1 ZINC000595521318 520527473 /nfs/dbraw/zinc/52/74/73/520527473.db2.gz ARJUMHHJCUBPFX-UHFFFAOYSA-N 1 2 363.389 2.661 20 5 FFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+](CCN1CCOCC1)Cc1ccco1 ZINC000595521318 520527480 /nfs/dbraw/zinc/52/74/80/520527480.db2.gz ARJUMHHJCUBPFX-UHFFFAOYSA-N 1 2 363.389 2.661 20 5 FFBDLO COc1cc(C[NH2+]C(C)(C)c2nc(C)cc(=O)[nH]2)c([N+](=O)[O-])cc1F ZINC000595529423 520531242 /nfs/dbraw/zinc/53/12/42/520531242.db2.gz WPVNIIIYDQWSSZ-UHFFFAOYSA-N 1 2 350.350 2.571 20 5 FFBDLO Cc1ccc2c(c1)nc(C[NH2+]Cc1cc3c(cc1[N+](=O)[O-])OCCO3)n2C ZINC000613620925 520590520 /nfs/dbraw/zinc/59/05/20/520590520.db2.gz ZFARXFNQJFBATK-UHFFFAOYSA-N 1 2 368.393 2.851 20 5 FFBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601034070 520607294 /nfs/dbraw/zinc/60/72/94/520607294.db2.gz YRHHKUSFHMGINO-UHFFFAOYSA-N 1 2 360.267 2.765 20 5 FFBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000598464330 520629542 /nfs/dbraw/zinc/62/95/42/520629542.db2.gz IFBMXYGZHCQGPA-SECBINFHSA-N 1 2 367.203 2.890 20 5 FFBDLO CCn1nc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000601150485 520662352 /nfs/dbraw/zinc/66/23/52/520662352.db2.gz YAYJMGJKZGDXPF-IBGZPJMESA-N 1 2 354.410 2.962 20 5 FFBDLO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C(F)(F)F)O1 ZINC000610413096 520673698 /nfs/dbraw/zinc/67/36/98/520673698.db2.gz CHALHPZEQHKJKC-GXFFZTMASA-N 1 2 361.320 2.575 20 5 FFBDLO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C(F)(F)F)O1 ZINC000610413096 520673706 /nfs/dbraw/zinc/67/37/06/520673706.db2.gz CHALHPZEQHKJKC-GXFFZTMASA-N 1 2 361.320 2.575 20 5 FFBDLO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](CO)c1cccc(Cl)c1Cl ZINC000595750371 520697196 /nfs/dbraw/zinc/69/71/96/520697196.db2.gz SJBJDEZIQVSDRJ-CYBMUJFWSA-N 1 2 359.213 2.764 20 5 FFBDLO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](CO)c1cccc(Cl)c1Cl ZINC000595750371 520697201 /nfs/dbraw/zinc/69/72/01/520697201.db2.gz SJBJDEZIQVSDRJ-CYBMUJFWSA-N 1 2 359.213 2.764 20 5 FFBDLO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000613890016 520717368 /nfs/dbraw/zinc/71/73/68/520717368.db2.gz URFNYOPBNGIDOC-UHFFFAOYSA-N 1 2 369.421 2.957 20 5 FFBDLO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000613890016 520717377 /nfs/dbraw/zinc/71/73/77/520717377.db2.gz URFNYOPBNGIDOC-UHFFFAOYSA-N 1 2 369.421 2.957 20 5 FFBDLO Cc1nccc([C@@H]2CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)n1 ZINC000618275947 520978264 /nfs/dbraw/zinc/97/82/64/520978264.db2.gz VDZFVACLBKUKFM-CYBMUJFWSA-N 1 2 352.398 2.949 20 5 FFBDLO Cc1nccc([C@@H]2CCC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)n1 ZINC000618275947 520978270 /nfs/dbraw/zinc/97/82/70/520978270.db2.gz VDZFVACLBKUKFM-CYBMUJFWSA-N 1 2 352.398 2.949 20 5 FFBDLO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCc2[nH+]c[nH]c2C1 ZINC000596237505 520988229 /nfs/dbraw/zinc/98/82/29/520988229.db2.gz TVXMAKYBPNRITD-UHFFFAOYSA-N 1 2 363.246 2.930 20 5 FFBDLO CC1(C)C(=O)N[C@@H]1C1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599086700 521024591 /nfs/dbraw/zinc/02/45/91/521024591.db2.gz QFWPPJLUVGBRGM-QGZVFWFLSA-N 1 2 354.410 2.884 20 5 FFBDLO CCOC(=O)c1ccnc(N(C)CCc2[nH]c3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000599092322 521028286 /nfs/dbraw/zinc/02/82/86/521028286.db2.gz OLSBCELWDKBGKX-UHFFFAOYSA-N 1 2 369.381 2.722 20 5 FFBDLO CN1CCCC[C@H]([N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1=O ZINC000601969930 521049003 /nfs/dbraw/zinc/04/90/03/521049003.db2.gz MSKPOEPOSRKZRQ-INIZCTEOSA-N 1 2 358.398 2.693 20 5 FFBDLO CN1CCCC[C@H]([N@@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1=O ZINC000601969930 521049009 /nfs/dbraw/zinc/04/90/09/521049009.db2.gz MSKPOEPOSRKZRQ-INIZCTEOSA-N 1 2 358.398 2.693 20 5 FFBDLO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611253042 521059592 /nfs/dbraw/zinc/05/95/92/521059592.db2.gz QIAXFHAELPLQFA-UHFFFAOYSA-N 1 2 358.350 2.727 20 5 FFBDLO C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611253042 521059597 /nfs/dbraw/zinc/05/95/97/521059597.db2.gz QIAXFHAELPLQFA-UHFFFAOYSA-N 1 2 358.350 2.727 20 5 FFBDLO COC[C@]1(C)CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000599203024 521084746 /nfs/dbraw/zinc/08/47/46/521084746.db2.gz UFFMAWOCWSHXDK-SFHVURJKSA-N 1 2 358.398 2.602 20 5 FFBDLO COC[C@@]1(C)CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000599203023 521085286 /nfs/dbraw/zinc/08/52/86/521085286.db2.gz UFFMAWOCWSHXDK-GOSISDBHSA-N 1 2 358.398 2.602 20 5 FFBDLO COc1ccc(CNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000602078871 521131355 /nfs/dbraw/zinc/13/13/55/521131355.db2.gz ARQIOHAZPYXNJN-ZDUSSCGKSA-N 1 2 372.303 2.610 20 5 FFBDLO COc1cc(C[N@@H+]2CCCOC[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000611518452 521198875 /nfs/dbraw/zinc/19/88/75/521198875.db2.gz WIENRWPJLKUKOY-NSHDSACASA-N 1 2 360.357 2.858 20 5 FFBDLO COc1cc(C[N@H+]2CCCOC[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000611518452 521198879 /nfs/dbraw/zinc/19/88/79/521198879.db2.gz WIENRWPJLKUKOY-NSHDSACASA-N 1 2 360.357 2.858 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000614934768 521201074 /nfs/dbraw/zinc/20/10/74/521201074.db2.gz XGCXDBFXGGMZOV-UHFFFAOYSA-N 1 2 356.382 2.741 20 5 FFBDLO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H](O)C(F)(F)F ZINC000594017329 521349337 /nfs/dbraw/zinc/34/93/37/521349337.db2.gz DGVSDJRTUBKDSG-GFCCVEGCSA-N 1 2 356.728 2.620 20 5 FFBDLO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H](O)C(F)(F)F ZINC000594017329 521349347 /nfs/dbraw/zinc/34/93/47/521349347.db2.gz DGVSDJRTUBKDSG-GFCCVEGCSA-N 1 2 356.728 2.620 20 5 FFBDLO CC(C)(C)OC(=O)C(C)(C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000599647795 521359026 /nfs/dbraw/zinc/35/90/26/521359026.db2.gz ASKXMCYLRZQAGM-UHFFFAOYSA-N 1 2 351.403 2.633 20 5 FFBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000602650404 521457991 /nfs/dbraw/zinc/45/79/91/521457991.db2.gz LDWRLISUJCZKFC-HNNXBMFYSA-N 1 2 360.332 2.995 20 5 FFBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000602650404 521458000 /nfs/dbraw/zinc/45/80/00/521458000.db2.gz LDWRLISUJCZKFC-HNNXBMFYSA-N 1 2 360.332 2.995 20 5 FFBDLO COC(=O)[C@@](C)(NCc1c[nH+]c2cccc(C)n12)c1cccc([N+](=O)[O-])c1 ZINC000602736434 521503455 /nfs/dbraw/zinc/50/34/55/521503455.db2.gz MIAYWAXFYQTSOZ-IBGZPJMESA-N 1 2 368.393 2.729 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](CC)O[C@]2(CCOC2)C1 ZINC000619434164 521564987 /nfs/dbraw/zinc/56/49/87/521564987.db2.gz FBSZBDXWNWSOOD-SJLPKXTDSA-N 1 2 350.415 2.763 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](CC)O[C@]2(CCOC2)C1 ZINC000619434164 521564992 /nfs/dbraw/zinc/56/49/92/521564992.db2.gz FBSZBDXWNWSOOD-SJLPKXTDSA-N 1 2 350.415 2.763 20 5 FFBDLO CC[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@]2(CCOC2)O1 ZINC000619434272 521565070 /nfs/dbraw/zinc/56/50/70/521565070.db2.gz YEIMNKVPFHDZDI-WMLDXEAASA-N 1 2 372.368 2.966 20 5 FFBDLO CC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@]2(CCOC2)O1 ZINC000619434272 521565080 /nfs/dbraw/zinc/56/50/80/521565080.db2.gz YEIMNKVPFHDZDI-WMLDXEAASA-N 1 2 372.368 2.966 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC([C@@H]2CCOC2)CC1 ZINC000612346955 521585432 /nfs/dbraw/zinc/58/54/32/521585432.db2.gz VSRYYDSHAOHCJG-MRXNPFEDSA-N 1 2 370.409 2.669 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000615994450 521596335 /nfs/dbraw/zinc/59/63/35/521596335.db2.gz FIKSCXXVOJMFSY-GPMSIDNRSA-N 1 2 361.442 2.797 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000619583511 521783757 /nfs/dbraw/zinc/78/37/57/521783757.db2.gz RXWGNIWRBNUYBP-HNNXBMFYSA-N 1 2 358.398 2.732 20 5 FFBDLO Cn1cc[nH+]c1[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)c1ccc(F)cc1 ZINC000502399362 561617724 /nfs/dbraw/zinc/61/77/24/561617724.db2.gz USMKSEORFVYWDQ-MRXNPFEDSA-N 1 2 367.344 2.712 20 5 FFBDLO CC(C)(CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000898909059 735422519 /nfs/dbraw/zinc/42/25/19/735422519.db2.gz IAZJMYKBCPVKHW-UHFFFAOYSA-N 1 2 356.304 2.975 20 5 FFBDLO Cc1nn(C[NH+]2CCC(O)(C(F)(F)F)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000121283366 728623750 /nfs/dbraw/zinc/62/37/50/728623750.db2.gz URMHSZCQKQWMOR-UHFFFAOYSA-N 1 2 358.320 2.600 20 5 FFBDLO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000175092611 729087152 /nfs/dbraw/zinc/08/71/52/729087152.db2.gz YFLPJQOJTXDDKB-CQSZACIVSA-N 1 2 351.403 2.704 20 5 FFBDLO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000175092611 729087155 /nfs/dbraw/zinc/08/71/55/729087155.db2.gz YFLPJQOJTXDDKB-CQSZACIVSA-N 1 2 351.403 2.704 20 5 FFBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1cccc(Br)c1[N+](=O)[O-] ZINC000856759224 730355407 /nfs/dbraw/zinc/35/54/07/730355407.db2.gz ZMHGVNMLHXYFSK-RYUDHWBXSA-N 1 2 370.247 2.657 20 5 FFBDLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000857943422 730414402 /nfs/dbraw/zinc/41/44/02/730414402.db2.gz FQHDHEZVADHXFP-VIFPVBQESA-N 1 2 355.181 2.843 20 5 FFBDLO O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1C[NH+](C1CC1)C1CC1 ZINC000863302286 730765966 /nfs/dbraw/zinc/76/59/66/730765966.db2.gz BCVZSHSHXGQXNO-UHFFFAOYSA-N 1 2 366.215 2.897 20 5 FFBDLO CO[C@@]1(C[N@@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCOC1 ZINC000877508314 732376020 /nfs/dbraw/zinc/37/60/20/732376020.db2.gz WOZFMJVHDRPIAC-OAHLLOKOSA-N 1 2 371.231 2.521 20 5 FFBDLO CO[C@@]1(C[N@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCOC1 ZINC000877508314 732376023 /nfs/dbraw/zinc/37/60/23/732376023.db2.gz WOZFMJVHDRPIAC-OAHLLOKOSA-N 1 2 371.231 2.521 20 5 FFBDLO O=C(C[NH+]1CCC(CCCO)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000782541676 738732254 /nfs/dbraw/zinc/73/22/54/738732254.db2.gz CJBMVSXRXOXAOB-UHFFFAOYSA-N 1 2 355.822 2.671 20 5 FFBDLO C[N@@H+]1CCc2nc(NC(=O)CCc3cc(F)ccc3[N+](=O)[O-])sc2C1 ZINC000891639855 734455484 /nfs/dbraw/zinc/45/54/84/734455484.db2.gz UUEAQWVAYTXUKU-UHFFFAOYSA-N 1 2 364.402 2.750 20 5 FFBDLO C[N@H+]1CCc2nc(NC(=O)CCc3cc(F)ccc3[N+](=O)[O-])sc2C1 ZINC000891639855 734455487 /nfs/dbraw/zinc/45/54/87/734455487.db2.gz UUEAQWVAYTXUKU-UHFFFAOYSA-N 1 2 364.402 2.750 20 5 FFBDLO C[N@H+](CCc1ccccc1F)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000731661058 734689984 /nfs/dbraw/zinc/68/99/84/734689984.db2.gz BTHWBVBSIKHTHK-UHFFFAOYSA-N 1 2 357.183 2.825 20 5 FFBDLO C[N@@H+](CCc1ccccc1F)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000731661058 734689987 /nfs/dbraw/zinc/68/99/87/734689987.db2.gz BTHWBVBSIKHTHK-UHFFFAOYSA-N 1 2 357.183 2.825 20 5 FFBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897448046 735235392 /nfs/dbraw/zinc/23/53/92/735235392.db2.gz GWFGSAOJTAGILZ-SSDOTTSWSA-N 1 2 373.171 2.982 20 5 FFBDLO CCc1nnc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC000785676672 738987759 /nfs/dbraw/zinc/98/77/59/738987759.db2.gz XGMOHODYDNBEBY-UHFFFAOYSA-N 1 2 359.367 2.551 20 5 FFBDLO Cn1cc[nH+]c1CCCOC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000802789097 740731866 /nfs/dbraw/zinc/73/18/66/740731866.db2.gz YIOMYHQPODTHGX-UHFFFAOYSA-N 1 2 368.187 2.880 20 5 FFBDLO O=C(NC1CC1)OC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000810037903 741374942 /nfs/dbraw/zinc/37/49/42/741374942.db2.gz WRIYLVKJTVYTBE-AWEZNQCLSA-N 1 2 351.378 2.977 20 5 FFBDLO O=C(NC1CC1)OC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000810037903 741374945 /nfs/dbraw/zinc/37/49/45/741374945.db2.gz WRIYLVKJTVYTBE-AWEZNQCLSA-N 1 2 351.378 2.977 20 5 FFBDLO C[C@H]1C[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CCC1(F)F ZINC000811781221 741558192 /nfs/dbraw/zinc/55/81/92/741558192.db2.gz VVHWFWDFSMGMSK-LBPRGKRZSA-N 1 2 354.357 2.771 20 5 FFBDLO C[C@H]1C[N@@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CCC1(F)F ZINC000811781221 741558194 /nfs/dbraw/zinc/55/81/94/741558194.db2.gz VVHWFWDFSMGMSK-LBPRGKRZSA-N 1 2 354.357 2.771 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@H]2CSC[C@H]2C1 ZINC000827102866 743507632 /nfs/dbraw/zinc/50/76/32/743507632.db2.gz OPVRXUIFGFUEKI-UONOGXRCSA-N 1 2 358.423 2.606 20 5 FFBDLO COC(=O)NC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000827933955 745003687 /nfs/dbraw/zinc/00/36/87/745003687.db2.gz GKGUODOZCKGIDJ-UHFFFAOYSA-N 1 2 359.329 2.517 20 5 FFBDLO CO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C ZINC000831527989 745542632 /nfs/dbraw/zinc/54/26/32/745542632.db2.gz JVKGIQMLCZHQLY-ZIBATOQPSA-N 1 2 355.822 2.932 20 5 FFBDLO CO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C ZINC000831527989 745542635 /nfs/dbraw/zinc/54/26/35/745542635.db2.gz JVKGIQMLCZHQLY-ZIBATOQPSA-N 1 2 355.822 2.932 20 5 FFBDLO C[C@H](c1nc(N)nc(Cl)n1)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831538558 745544370 /nfs/dbraw/zinc/54/43/70/745544370.db2.gz DUXPYMNIWHLMPE-PWSUYJOCSA-N 1 2 362.821 2.956 20 5 FFBDLO C[C@H](c1nc(N)nc(Cl)n1)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831538558 745544374 /nfs/dbraw/zinc/54/43/74/745544374.db2.gz DUXPYMNIWHLMPE-PWSUYJOCSA-N 1 2 362.821 2.956 20 5 FFBDLO C[C@H](c1nc(N)nc(Cl)n1)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831538559 745544406 /nfs/dbraw/zinc/54/44/06/745544406.db2.gz DUXPYMNIWHLMPE-ZYHUDNBSSA-N 1 2 362.821 2.956 20 5 FFBDLO C[C@H](c1nc(N)nc(Cl)n1)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831538559 745544408 /nfs/dbraw/zinc/54/44/08/745544408.db2.gz DUXPYMNIWHLMPE-ZYHUDNBSSA-N 1 2 362.821 2.956 20 5 FFBDLO C[N@H+](CCc1cnccn1)Cc1cccc([N+](=O)[O-])c1Br ZINC000839536626 746849960 /nfs/dbraw/zinc/84/99/60/746849960.db2.gz OMZWHZZAESTQGA-UHFFFAOYSA-N 1 2 351.204 2.822 20 5 FFBDLO C[N@@H+](CCc1cnccn1)Cc1cccc([N+](=O)[O-])c1Br ZINC000839536626 746849968 /nfs/dbraw/zinc/84/99/68/746849968.db2.gz OMZWHZZAESTQGA-UHFFFAOYSA-N 1 2 351.204 2.822 20 5 FFBDLO COCCO[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839573883 746859784 /nfs/dbraw/zinc/85/97/84/746859784.db2.gz HQDWGKWPRWNYFR-GFCCVEGCSA-N 1 2 359.220 2.595 20 5 FFBDLO COCCO[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839573883 746859789 /nfs/dbraw/zinc/85/97/89/746859789.db2.gz HQDWGKWPRWNYFR-GFCCVEGCSA-N 1 2 359.220 2.595 20 5 FFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@](O)(C(F)F)C2)c1Br ZINC000839615429 746872869 /nfs/dbraw/zinc/87/28/69/746872869.db2.gz OHUMEWRNYMPVJV-GFCCVEGCSA-N 1 2 351.147 2.559 20 5 FFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@](O)(C(F)F)C2)c1Br ZINC000839615429 746872876 /nfs/dbraw/zinc/87/28/76/746872876.db2.gz OHUMEWRNYMPVJV-GFCCVEGCSA-N 1 2 351.147 2.559 20 5 FFBDLO O=C(CCc1c[nH]c[nH+]1)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000839866871 746946795 /nfs/dbraw/zinc/94/67/95/746946795.db2.gz FJQMHEUDIKJBOA-CYBMUJFWSA-N 1 2 360.267 2.809 20 5 FFBDLO O=C(CCc1c[nH+]c[nH]1)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000839866871 746946802 /nfs/dbraw/zinc/94/68/02/746946802.db2.gz FJQMHEUDIKJBOA-CYBMUJFWSA-N 1 2 360.267 2.809 20 5 FFBDLO CNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001175360765 1013454269 /nfs/dbraw/zinc/45/42/69/1013454269.db2.gz BMHVUQAYUHMYPP-CYBMUJFWSA-N 1 2 374.363 2.897 20 5 FFBDLO CNC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001175360765 1013454273 /nfs/dbraw/zinc/45/42/73/1013454273.db2.gz BMHVUQAYUHMYPP-CYBMUJFWSA-N 1 2 374.363 2.897 20 5 FFBDLO COc1ccc(C[N@H+](C)Cc2ccc(O)c(OC)c2[N+](=O)[O-])cc1OC ZINC000891477532 964364757 /nfs/dbraw/zinc/36/47/57/964364757.db2.gz LMVLFAHOCAJTGO-UHFFFAOYSA-N 1 2 362.382 2.958 20 5 FFBDLO COc1ccc(C[N@@H+](C)Cc2ccc(O)c(OC)c2[N+](=O)[O-])cc1OC ZINC000891477532 964364768 /nfs/dbraw/zinc/36/47/68/964364768.db2.gz LMVLFAHOCAJTGO-UHFFFAOYSA-N 1 2 362.382 2.958 20 5 FFBDLO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000728542176 967211586 /nfs/dbraw/zinc/21/15/86/967211586.db2.gz MJMJQQUAKGOEPG-MRXNPFEDSA-N 1 2 369.425 2.869 20 5 FFBDLO C/C(=C\C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C[NH+]1CCOCC1 ZINC000908970111 981579835 /nfs/dbraw/zinc/57/98/35/981579835.db2.gz ZJMJWETVGANZGH-QCUIPMNBSA-N 1 2 373.453 2.579 20 5 FFBDLO COc1ccc(C(=O)N2CC3(CC[N@@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000910790388 982053858 /nfs/dbraw/zinc/05/38/58/982053858.db2.gz MCLOQOCICIPGDF-UHFFFAOYSA-N 1 2 367.405 2.704 20 5 FFBDLO COc1ccc(C(=O)N2CC3(CC[N@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000910790388 982053864 /nfs/dbraw/zinc/05/38/64/982053864.db2.gz MCLOQOCICIPGDF-UHFFFAOYSA-N 1 2 367.405 2.704 20 5 FFBDLO C[C@H](C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)NC(=O)OC(C)(C)C ZINC000785442604 986241308 /nfs/dbraw/zinc/24/13/08/986241308.db2.gz PXHYHLZAYAGCID-CQSZACIVSA-N 1 2 364.446 2.630 20 5 FFBDLO C[N@H+](CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)[C@@H]1CCc2ccccc21 ZINC000073684703 987048249 /nfs/dbraw/zinc/04/82/49/987048249.db2.gz UQSUIJVFLLOTRB-QGZVFWFLSA-N 1 2 351.362 2.768 20 5 FFBDLO C[N@@H+](CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)[C@@H]1CCc2ccccc21 ZINC000073684703 987048260 /nfs/dbraw/zinc/04/82/60/987048260.db2.gz UQSUIJVFLLOTRB-QGZVFWFLSA-N 1 2 351.362 2.768 20 5 FFBDLO CO[C@@H]1C[C@H]2C[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])Cc3cccnc3N2C1 ZINC000879267033 1015447674 /nfs/dbraw/zinc/44/76/74/1015447674.db2.gz UGHMGVSTYSQTNZ-DLBZAZTESA-N 1 2 372.400 2.738 20 5 FFBDLO CO[C@@H]1C[C@H]2C[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])Cc3cccnc3N2C1 ZINC000879267033 1015447682 /nfs/dbraw/zinc/44/76/82/1015447682.db2.gz UGHMGVSTYSQTNZ-DLBZAZTESA-N 1 2 372.400 2.738 20 5 FFBDLO COc1cccc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1[N+](=O)[O-] ZINC000194049657 989139020 /nfs/dbraw/zinc/13/90/20/989139020.db2.gz OIZVNZMCXSNJNQ-UHFFFAOYSA-N 1 2 366.377 2.778 20 5 FFBDLO C[C@H](NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1ccccc1[N+](=O)[O-] ZINC000444134062 989217171 /nfs/dbraw/zinc/21/71/71/989217171.db2.gz GFALOIYDPLRNLO-KBPBESRZSA-N 1 2 357.414 2.979 20 5 FFBDLO COc1cc(C(=O)OCCCn2cc[nH+]c2)c([N+](=O)[O-])cc1OC(F)F ZINC000763287956 989553083 /nfs/dbraw/zinc/55/30/83/989553083.db2.gz QMGYJOBSZHHMKD-UHFFFAOYSA-N 1 2 371.296 2.648 20 5 FFBDLO CC(C)(CCc1noc(Cc2c[nH+]cn2Cc2ccccc2)n1)[N+](=O)[O-] ZINC000812814095 995537699 /nfs/dbraw/zinc/53/76/99/995537699.db2.gz RUVGCKXXIXETQN-UHFFFAOYSA-N 1 2 355.398 2.893 20 5 FFBDLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c1C ZINC000823998545 996774566 /nfs/dbraw/zinc/77/45/66/996774566.db2.gz QDHZIQBYPHAXJI-UHFFFAOYSA-N 1 2 359.386 2.861 20 5 FFBDLO Cc1nn(C[NH+]2CCC(Cc3nc([C@H]4C[C@H]4C)no3)CC2)c(C)c1[N+](=O)[O-] ZINC000844729985 998102172 /nfs/dbraw/zinc/10/21/72/998102172.db2.gz AMKJRBOQQHJHRN-ABAIWWIYSA-N 1 2 374.445 2.827 20 5 FFBDLO Cc1nn(C[NH+]2CCC(CCNC(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000844753147 998119325 /nfs/dbraw/zinc/11/93/25/998119325.db2.gz ULAXTZULKZNEQS-UHFFFAOYSA-N 1 2 367.450 2.684 20 5 FFBDLO O=C(Cc1cn2c([nH+]1)CCCC2)O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000845488015 998560206 /nfs/dbraw/zinc/56/02/06/998560206.db2.gz RKFVDDUONLZZBY-CABCVRRESA-N 1 2 373.413 2.594 20 5 FFBDLO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)OCc1ccc([N+](=O)[O-])cc1 ZINC000741346844 999722820 /nfs/dbraw/zinc/72/28/20/999722820.db2.gz MPJBGINVSGYXMF-IBGZPJMESA-N 1 2 370.405 2.929 20 5 FFBDLO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)OCc1ccc([N+](=O)[O-])cc1 ZINC000741346844 999722823 /nfs/dbraw/zinc/72/28/23/999722823.db2.gz MPJBGINVSGYXMF-IBGZPJMESA-N 1 2 370.405 2.929 20 5 FFBDLO CCOC(=O)[C@@H]1c2ccc(OC)cc2CC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169052052 1000018878 /nfs/dbraw/zinc/01/88/78/1000018878.db2.gz FTGNXZQTDKLDFQ-SIIHOXLZSA-N 1 2 362.426 2.603 20 5 FFBDLO CCOC(=O)[C@@H]1c2ccc(OC)cc2CC[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169052052 1000018881 /nfs/dbraw/zinc/01/88/81/1000018881.db2.gz FTGNXZQTDKLDFQ-SIIHOXLZSA-N 1 2 362.426 2.603 20 5 FFBDLO CCOC(=O)[C@@H]1c2ccc(OC)cc2CC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169052057 1000018976 /nfs/dbraw/zinc/01/89/76/1000018976.db2.gz FTGNXZQTDKLDFQ-YEWWUXTCSA-N 1 2 362.426 2.603 20 5 FFBDLO CCOC(=O)[C@@H]1c2ccc(OC)cc2CC[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169052057 1000018978 /nfs/dbraw/zinc/01/89/78/1000018978.db2.gz FTGNXZQTDKLDFQ-YEWWUXTCSA-N 1 2 362.426 2.603 20 5 FFBDLO Nc1cc(COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc[nH+]1 ZINC000787606158 1001700315 /nfs/dbraw/zinc/70/03/15/1001700315.db2.gz HUPRAPRLSKJUNY-UHFFFAOYSA-N 1 2 359.385 2.875 20 5 FFBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+](Cc1ccccc1)[C@@]1(CO)CCOC1 ZINC000787674462 1001702714 /nfs/dbraw/zinc/70/27/14/1001702714.db2.gz GHNXGIHELSZAFC-LJQANCHMSA-N 1 2 360.385 2.888 20 5 FFBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+](Cc1ccccc1)[C@@]1(CO)CCOC1 ZINC000787674462 1001702716 /nfs/dbraw/zinc/70/27/16/1001702716.db2.gz GHNXGIHELSZAFC-LJQANCHMSA-N 1 2 360.385 2.888 20 5 FFBDLO Cn1c[nH+]cc1CCOC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000793249726 1003318943 /nfs/dbraw/zinc/31/89/43/1003318943.db2.gz BCVBQRQYSNROOK-UHFFFAOYSA-N 1 2 373.287 2.669 20 5 FFBDLO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCN(c3cccc(F)c3F)CC2)cc1 ZINC000776274479 1005339998 /nfs/dbraw/zinc/33/99/98/1005339998.db2.gz DFILBYNONGYMES-QGZVFWFLSA-N 1 2 363.364 2.729 20 5 FFBDLO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCN(Cc3cccc(F)c3)CC2)cc1 ZINC000776274619 1005340067 /nfs/dbraw/zinc/34/00/67/1005340067.db2.gz BEESMNJDLGPFND-LJQANCHMSA-N 1 2 359.401 2.585 20 5 FFBDLO CC(C)(C)OC(=O)C[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC001187341074 1006050336 /nfs/dbraw/zinc/05/03/36/1006050336.db2.gz QVHHDJXJEGPULH-UHFFFAOYSA-N 1 2 370.837 2.861 20 5 FFBDLO Cc1ccc(N2CC[NH+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)c(C)c1 ZINC000852744766 1006166128 /nfs/dbraw/zinc/16/61/28/1006166128.db2.gz IDFVZTYOOUQDSY-UHFFFAOYSA-N 1 2 368.437 2.633 20 5 FFBDLO Cc1c(C[N@@H+]2CCc3nnc(N4CCCC4)cc3C2)cccc1[N+](=O)[O-] ZINC000854120668 1006691559 /nfs/dbraw/zinc/69/15/59/1006691559.db2.gz RGMNFWZWPHJMHM-UHFFFAOYSA-N 1 2 353.426 2.852 20 5 FFBDLO Cc1c(C[N@H+]2CCc3nnc(N4CCCC4)cc3C2)cccc1[N+](=O)[O-] ZINC000854120668 1006691563 /nfs/dbraw/zinc/69/15/63/1006691563.db2.gz RGMNFWZWPHJMHM-UHFFFAOYSA-N 1 2 353.426 2.852 20 5 FFBDLO O=C(OCc1cccc(C[NH+]2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000817182064 1007461112 /nfs/dbraw/zinc/46/11/12/1007461112.db2.gz UGRRWFHLGHQOND-UHFFFAOYSA-N 1 2 356.378 2.784 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000819999227 1008273498 /nfs/dbraw/zinc/27/34/98/1008273498.db2.gz NWOOYEJKWDJZMQ-UHFFFAOYSA-N 1 2 353.338 2.827 20 5 FFBDLO O=[N+]([O-])c1ncccc1C[N@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000886194388 1008601681 /nfs/dbraw/zinc/60/16/81/1008601681.db2.gz PJYMJEVWKNCWPJ-UHFFFAOYSA-N 1 2 350.382 2.735 20 5 FFBDLO O=[N+]([O-])c1ncccc1C[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000886194388 1008601689 /nfs/dbraw/zinc/60/16/89/1008601689.db2.gz PJYMJEVWKNCWPJ-UHFFFAOYSA-N 1 2 350.382 2.735 20 5 FFBDLO Cn1cnc2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)cc21 ZINC001178833017 1009143886 /nfs/dbraw/zinc/14/38/86/1009143886.db2.gz WYXQRZNGSIWWIL-UHFFFAOYSA-N 1 2 362.349 2.920 20 5 FFBDLO COc1cccc2c1CN(C[N@H+](C)CCc1ccccc1[N+](=O)[O-])C2=O ZINC000863266616 1010147803 /nfs/dbraw/zinc/14/78/03/1010147803.db2.gz FKGZLRXIHUZYGQ-UHFFFAOYSA-N 1 2 355.394 2.691 20 5 FFBDLO COc1cccc2c1CN(C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])C2=O ZINC000863266616 1010147810 /nfs/dbraw/zinc/14/78/10/1010147810.db2.gz FKGZLRXIHUZYGQ-UHFFFAOYSA-N 1 2 355.394 2.691 20 5 FFBDLO COCC[N@H+](CCc1ccccc1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794623296 1010444638 /nfs/dbraw/zinc/44/46/38/1010444638.db2.gz LIWQHVWCMFEVRK-UHFFFAOYSA-N 1 2 371.393 2.651 20 5 FFBDLO COCC[N@@H+](CCc1ccccc1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794623296 1010444649 /nfs/dbraw/zinc/44/46/49/1010444649.db2.gz LIWQHVWCMFEVRK-UHFFFAOYSA-N 1 2 371.393 2.651 20 5 FFBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000869104661 1011614074 /nfs/dbraw/zinc/61/40/74/1011614074.db2.gz MIVHGMCIECNXKW-SFHVURJKSA-N 1 2 354.410 2.923 20 5 FFBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000869104661 1011614082 /nfs/dbraw/zinc/61/40/82/1011614082.db2.gz MIVHGMCIECNXKW-SFHVURJKSA-N 1 2 354.410 2.923 20 5 FFBDLO COc1cccc([C@H]2CN(C(=O)c3cc(F)ccc3[N+](=O)[O-])CC[NH2+]2)c1 ZINC000870150156 1012208055 /nfs/dbraw/zinc/20/80/55/1012208055.db2.gz RCOXDMRYVWQQPN-MRXNPFEDSA-N 1 2 359.357 2.529 20 5 FFBDLO COc1cccc([C@H]2CN(C(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)CC[NH2+]2)c1 ZINC000870152390 1012209149 /nfs/dbraw/zinc/20/91/49/1012209149.db2.gz MWZZWFJPWUWDFP-AUUYWEPGSA-N 1 2 369.421 2.880 20 5 FFBDLO COc1cccc([C@H]2CN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC[NH2+]2)c1 ZINC000870151188 1012209398 /nfs/dbraw/zinc/20/93/98/1012209398.db2.gz WPABLZOXNKOEMO-LJQANCHMSA-N 1 2 369.421 2.709 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCOC3(CCOCC3)C2)c1F ZINC001173197960 1012339946 /nfs/dbraw/zinc/33/99/46/1012339946.db2.gz XFFLQMOYGLYYDW-ZDUSSCGKSA-N 1 2 368.405 2.555 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CCOC3(CCOCC3)C2)c1F ZINC001173197960 1012339960 /nfs/dbraw/zinc/33/99/60/1012339960.db2.gz XFFLQMOYGLYYDW-ZDUSSCGKSA-N 1 2 368.405 2.555 20 5 FFBDLO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cnn(C(F)F)c1 ZINC000870376577 1012342074 /nfs/dbraw/zinc/34/20/74/1012342074.db2.gz BQBYMDQPQHUTMO-AWEZNQCLSA-N 1 2 366.324 2.618 20 5 FFBDLO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cnn(C(F)F)c1 ZINC000870376577 1012342079 /nfs/dbraw/zinc/34/20/79/1012342079.db2.gz BQBYMDQPQHUTMO-AWEZNQCLSA-N 1 2 366.324 2.618 20 5 FFBDLO COC(=O)C1([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2ccccc2C1 ZINC001173211929 1012369515 /nfs/dbraw/zinc/36/95/15/1012369515.db2.gz VNYLAOLVZPOBDY-AWEZNQCLSA-N 1 2 354.406 2.826 20 5 FFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2ccn(C)n2)C1 ZINC000932137154 1020718451 /nfs/dbraw/zinc/71/84/51/1020718451.db2.gz MPMGBXZZVDNUBJ-KBPBESRZSA-N 1 2 357.414 2.535 20 5 FFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2ccn(C)n2)C1 ZINC000932137154 1020718454 /nfs/dbraw/zinc/71/84/54/1020718454.db2.gz MPMGBXZZVDNUBJ-KBPBESRZSA-N 1 2 357.414 2.535 20 5 FFBDLO CC(C)O[C@]1(C[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000903358740 1020804397 /nfs/dbraw/zinc/80/43/97/1020804397.db2.gz YSGDMCHRDOOECV-MJGOQNOKSA-N 1 2 374.441 2.591 20 5 FFBDLO CC(C)(C)OC(=O)c1ccc(O[C@@H]2CC[NH2+]CC2(F)F)c([N+](=O)[O-])c1 ZINC001218012466 1032952579 /nfs/dbraw/zinc/95/25/79/1032952579.db2.gz QDNSBKVWBFRBPF-CYBMUJFWSA-N 1 2 358.341 2.926 20 5 FFBDLO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000935714294 1021839595 /nfs/dbraw/zinc/83/95/95/1021839595.db2.gz FERBUAMZCIQXKY-MRXNPFEDSA-N 1 2 359.357 2.741 20 5 FFBDLO C[C@@]1(c2ccccc2)CC[N@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000755932162 1023653120 /nfs/dbraw/zinc/65/31/20/1023653120.db2.gz SBPPDBPWRZTFLU-HXUWFJFHSA-N 1 2 365.389 2.812 20 5 FFBDLO C[C@@]1(c2ccccc2)CC[N@@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000755932162 1023653122 /nfs/dbraw/zinc/65/31/22/1023653122.db2.gz SBPPDBPWRZTFLU-HXUWFJFHSA-N 1 2 365.389 2.812 20 5 FFBDLO CCCCOC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000838101430 1026208973 /nfs/dbraw/zinc/20/89/73/1026208973.db2.gz KPQPJCCRFFZOAK-GFCCVEGCSA-N 1 2 361.354 2.669 20 5 FFBDLO C[C@H]1CN(CC(F)(F)F)CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000840146930 1026983699 /nfs/dbraw/zinc/98/36/99/1026983699.db2.gz ZQXGNIKMJBMBOJ-LBPRGKRZSA-N 1 2 371.363 2.718 20 5 FFBDLO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000840146930 1026983703 /nfs/dbraw/zinc/98/37/03/1026983703.db2.gz ZQXGNIKMJBMBOJ-LBPRGKRZSA-N 1 2 371.363 2.718 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H](c2nccs2)C1 ZINC001153396411 1027862006 /nfs/dbraw/zinc/86/20/06/1027862006.db2.gz FNNPWPDLBAHVPC-CYBMUJFWSA-N 1 2 369.406 2.867 20 5 FFBDLO COc1nc(NC2CC[NH+](CC(=O)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC001161143477 1028034455 /nfs/dbraw/zinc/03/44/55/1028034455.db2.gz SOTOHTZPJZKLLE-UHFFFAOYSA-N 1 2 370.409 2.758 20 5 FFBDLO COc1ccc(Cn2c[nH+]cc2CNc2cc(OC)c([N+](=O)[O-])cn2)cc1 ZINC001161506857 1028206821 /nfs/dbraw/zinc/20/68/21/1028206821.db2.gz FQHNMGKUSCSREZ-UHFFFAOYSA-N 1 2 369.381 2.864 20 5 FFBDLO CCOC(=O)c1nc(Cl)nc(NCc2c[nH+]cn2C(C)C)c1[N+](=O)[O-] ZINC001161563218 1028231638 /nfs/dbraw/zinc/23/16/38/1028231638.db2.gz SYIFAAUIBPUMJQ-UHFFFAOYSA-N 1 2 368.781 2.604 20 5 FFBDLO Cc1cc(C)c(CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)c[nH+]1 ZINC001161803306 1028318841 /nfs/dbraw/zinc/31/88/41/1028318841.db2.gz ITNKBKIPFQOCMX-UHFFFAOYSA-N 1 2 351.366 2.927 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000780762620 1028799026 /nfs/dbraw/zinc/79/90/26/1028799026.db2.gz LVPDPMNWYKWFIJ-MSOLQXFVSA-N 1 2 352.394 2.741 20 5 FFBDLO CNc1cc(CNc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)cc[nH+]1 ZINC001164190880 1029196218 /nfs/dbraw/zinc/19/62/18/1029196218.db2.gz PYLNCIKMVXOPKK-UHFFFAOYSA-N 1 2 350.382 2.831 20 5 FFBDLO COC(=O)c1ccnc(N(C)Cc2ccc(-n3cc[nH+]c3)cc2)c1[N+](=O)[O-] ZINC001156784745 1029345390 /nfs/dbraw/zinc/34/53/90/1029345390.db2.gz SSAYNIAOCXCJST-UHFFFAOYSA-N 1 2 367.365 2.599 20 5 FFBDLO O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000781965022 1029499338 /nfs/dbraw/zinc/49/93/38/1029499338.db2.gz FGSLCJXDRKTMCX-ZDUSSCGKSA-N 1 2 373.369 2.565 20 5 FFBDLO Cc1cccc([C@H]2CC[N@H+](CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C2)c1 ZINC000784027859 1030426791 /nfs/dbraw/zinc/42/67/91/1030426791.db2.gz UYTBIBDSPSPYIT-HNNXBMFYSA-N 1 2 365.389 2.946 20 5 FFBDLO Cc1cccc([C@H]2CC[N@@H+](CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C2)c1 ZINC000784027859 1030426798 /nfs/dbraw/zinc/42/67/98/1030426798.db2.gz UYTBIBDSPSPYIT-HNNXBMFYSA-N 1 2 365.389 2.946 20 5 FFBDLO Cc1cc(OCC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000797614551 1031162654 /nfs/dbraw/zinc/16/26/54/1031162654.db2.gz LYFCQVPTRNYFMG-INIZCTEOSA-N 1 2 360.414 2.710 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1F ZINC000831073328 1033939689 /nfs/dbraw/zinc/93/96/89/1033939689.db2.gz SRPBIIYKNWYZKK-LLVKDONJSA-N 1 2 362.336 2.585 20 5 FFBDLO Cc1ccnc(O[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC001226120346 1034534800 /nfs/dbraw/zinc/53/48/00/1034534800.db2.gz UJMUHLCANAPBNE-RDJZCZTQSA-N 1 2 357.410 2.967 20 5 FFBDLO Cc1ccnc(O[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC001226120346 1034534813 /nfs/dbraw/zinc/53/48/13/1034534813.db2.gz UJMUHLCANAPBNE-RDJZCZTQSA-N 1 2 357.410 2.967 20 5 FFBDLO CC1(C)[C@H](OC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@@H]2CCO[C@H]21 ZINC000835176623 1035602581 /nfs/dbraw/zinc/60/25/81/1035602581.db2.gz IFRAJMRIUWIUME-DAXOMENPSA-N 1 2 357.366 2.751 20 5 FFBDLO CO[C@H]1C[C@H](OC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C12CCC2 ZINC000835873109 1036060674 /nfs/dbraw/zinc/06/06/74/1036060674.db2.gz JCUXZQRYPSIHTG-HOTGVXAUSA-N 1 2 357.366 2.895 20 5 FFBDLO Cc1cc2nc3nc(=O)[nH]c(O[C@H]4CC[N@@H+](C(C)C)C4)c3nc2cc1C ZINC001228687157 1036257832 /nfs/dbraw/zinc/25/78/32/1036257832.db2.gz SKABQBKWYYYQHA-ZDUSSCGKSA-N 1 2 353.426 2.757 20 5 FFBDLO Cc1cc2nc3nc(=O)[nH]c(O[C@H]4CC[N@H+](C(C)C)C4)c3nc2cc1C ZINC001228687157 1036257848 /nfs/dbraw/zinc/25/78/48/1036257848.db2.gz SKABQBKWYYYQHA-ZDUSSCGKSA-N 1 2 353.426 2.757 20 5 FFBDLO O=c1oc2cc(O)ccc2c2cc(O[C@@H]3CCc4[nH+]ccn4C3)c(O)cc12 ZINC001229806401 1036909804 /nfs/dbraw/zinc/90/98/04/1036909804.db2.gz TUXGQKGMCDOSHA-GFCCVEGCSA-N 1 2 364.357 2.948 20 5 FFBDLO C[N@@H+]1CCO[C@@H](COc2c(Br)cc3c(c2[N+](=O)[O-])CCC3)C1 ZINC001230492417 1037292779 /nfs/dbraw/zinc/29/27/79/1037292779.db2.gz KCJYASWYFKVUGY-LLVKDONJSA-N 1 2 371.231 2.555 20 5 FFBDLO C[N@H+]1CCO[C@@H](COc2c(Br)cc3c(c2[N+](=O)[O-])CCC3)C1 ZINC001230492417 1037292792 /nfs/dbraw/zinc/29/27/92/1037292792.db2.gz KCJYASWYFKVUGY-LLVKDONJSA-N 1 2 371.231 2.555 20 5 FFBDLO COc1cc(N2CCC([NH2+]CC(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC001256083482 1038369539 /nfs/dbraw/zinc/36/95/39/1038369539.db2.gz QHCKGFNUHVTRPW-UHFFFAOYSA-N 1 2 365.430 2.504 20 5 FFBDLO CCn1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c1 ZINC001537208783 1070143782 /nfs/dbraw/zinc/14/37/82/1070143782.db2.gz IAYXWFQVYWYPNF-UHFFFAOYSA-N 1 2 353.382 2.874 20 5 FFBDLO Cc1cc(C[N@@H+]2CCCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)no1 ZINC001251424353 1039123564 /nfs/dbraw/zinc/12/35/64/1039123564.db2.gz OTPDXTMUVTXCKR-UHFFFAOYSA-N 1 2 361.358 2.512 20 5 FFBDLO Cc1cc(C[N@H+]2CCCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)no1 ZINC001251424353 1039123572 /nfs/dbraw/zinc/12/35/72/1039123572.db2.gz OTPDXTMUVTXCKR-UHFFFAOYSA-N 1 2 361.358 2.512 20 5 FFBDLO OC[C@@H](c1nc(-c2ccc3ccc4cccnc4c3n2)no1)n1cc[nH+]c1 ZINC001247259245 1039677503 /nfs/dbraw/zinc/67/75/03/1039677503.db2.gz BVPMKCBTVULRAE-HNNXBMFYSA-N 1 2 358.361 2.611 20 5 FFBDLO Cc1cc(N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)nc(C2CC2)[nH+]1 ZINC001318590597 1044763238 /nfs/dbraw/zinc/76/32/38/1044763238.db2.gz LNKSCDUWCLBNFI-UHFFFAOYSA-N 1 2 353.426 2.893 20 5 FFBDLO Cc1cc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)nc(C2CC2)n1 ZINC001318590597 1044763254 /nfs/dbraw/zinc/76/32/54/1044763254.db2.gz LNKSCDUWCLBNFI-UHFFFAOYSA-N 1 2 353.426 2.893 20 5 FFBDLO CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001319939774 1045308278 /nfs/dbraw/zinc/30/82/78/1045308278.db2.gz HJFRGKGHPXCAKI-UHFFFAOYSA-N 1 2 370.409 2.721 20 5 FFBDLO C[NH+](C)Cc1nnc(CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 ZINC001322984762 1046294976 /nfs/dbraw/zinc/29/49/76/1046294976.db2.gz YRDOSBMOIJJZEP-UHFFFAOYSA-N 1 2 359.308 2.713 20 5 FFBDLO C[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1O)[N@H+](C)Cc1ccccc1 ZINC001294426999 1049742697 /nfs/dbraw/zinc/74/26/97/1049742697.db2.gz IPUQDWBPZWHALM-AWEZNQCLSA-N 1 2 357.410 2.941 20 5 FFBDLO C[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1O)[N@@H+](C)Cc1ccccc1 ZINC001294426999 1049742703 /nfs/dbraw/zinc/74/27/03/1049742703.db2.gz IPUQDWBPZWHALM-AWEZNQCLSA-N 1 2 357.410 2.941 20 5 FFBDLO Cc1ccc(NC(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(N)c1[N+](=O)[O-] ZINC001304500305 1051626071 /nfs/dbraw/zinc/62/60/71/1051626071.db2.gz JZHRMPGHXJGERT-ZENOOKHLSA-N 1 2 364.446 2.558 20 5 FFBDLO Cc1ccc(NC(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(N)c1[N+](=O)[O-] ZINC001304500305 1051626074 /nfs/dbraw/zinc/62/60/74/1051626074.db2.gz JZHRMPGHXJGERT-ZENOOKHLSA-N 1 2 364.446 2.558 20 5 FFBDLO CC[C@H]1COCC[N@@H+]1CCNc1ccc(Br)cc1[N+](=O)[O-] ZINC001307199998 1052266546 /nfs/dbraw/zinc/26/65/46/1052266546.db2.gz FCGLCFOPGXDZIJ-LBPRGKRZSA-N 1 2 358.236 2.880 20 5 FFBDLO CC[C@H]1COCC[N@H+]1CCNc1ccc(Br)cc1[N+](=O)[O-] ZINC001307199998 1052266549 /nfs/dbraw/zinc/26/65/49/1052266549.db2.gz FCGLCFOPGXDZIJ-LBPRGKRZSA-N 1 2 358.236 2.880 20 5 FFBDLO CN(Cc1ccccc1[N+](=O)[O-])c1nnc(C[NH+]2CCCC2)n1CC1CC1 ZINC001345827500 1052631279 /nfs/dbraw/zinc/63/12/79/1052631279.db2.gz OOPAMQDPDRSHHS-UHFFFAOYSA-N 1 2 370.457 2.829 20 5 FFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC001347242614 1053752418 /nfs/dbraw/zinc/75/24/18/1053752418.db2.gz GPSQORRBFLZHDZ-MRXNPFEDSA-N 1 2 361.398 2.741 20 5 FFBDLO CC[C@H](O)[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001300092458 1055736002 /nfs/dbraw/zinc/73/60/02/1055736002.db2.gz NTFUPSKYRPQBKU-WBVHZDCISA-N 1 2 358.398 2.546 20 5 FFBDLO O=C(Nc1cccc2[nH]c(=O)[nH]c21)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001450631810 1059035920 /nfs/dbraw/zinc/03/59/20/1059035920.db2.gz CICADWZHTXSTLA-UHFFFAOYSA-N 1 2 364.321 2.615 20 5 FFBDLO C[NH+](C)Cc1nc(CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])co1 ZINC001456361518 1060102739 /nfs/dbraw/zinc/10/27/39/1060102739.db2.gz IQIZPBNQVJZJNN-UHFFFAOYSA-N 1 2 372.303 2.593 20 5 FFBDLO C[C@@H]1OCC[C@@]12C[N@H+](Cn1cc(-c3ccccc3[N+](=O)[O-])cn1)C[C@@H](C)O2 ZINC000848487341 1060133654 /nfs/dbraw/zinc/13/36/54/1060133654.db2.gz QZVUFVCXUWXGDF-ZRGWGRIASA-N 1 2 372.425 2.684 20 5 FFBDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cn1cc(-c3ccccc3[N+](=O)[O-])cn1)C[C@@H](C)O2 ZINC000848487341 1060133661 /nfs/dbraw/zinc/13/36/61/1060133661.db2.gz 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CC(C)(C)OC(=O)NCC[N@@H+](CC[N+](=O)[O-])Cc1cccc(Cl)c1 ZINC001460765295 1061091480 /nfs/dbraw/zinc/09/14/80/1061091480.db2.gz WIZIUSCUXBAXJG-UHFFFAOYSA-N 1 2 357.838 2.943 20 5 FFBDLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC001475578932 1061147290 /nfs/dbraw/zinc/14/72/90/1061147290.db2.gz WLRQDKWHLWNOPS-UHFFFAOYSA-N 1 2 365.411 2.994 20 5 FFBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C)C[C@@H]1CC(C)C ZINC001464631003 1062728928 /nfs/dbraw/zinc/72/89/28/1062728928.db2.gz GILUFRSSDBMCGH-INIZCTEOSA-N 1 2 369.487 2.508 20 5 FFBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C)C[C@@H]1CC(C)C ZINC001464631003 1062728937 /nfs/dbraw/zinc/72/89/37/1062728937.db2.gz GILUFRSSDBMCGH-INIZCTEOSA-N 1 2 369.487 2.508 20 5 FFBDLO CCNc1ccc(C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)cc1[N+](=O)[O-] ZINC001532363552 1063046375 /nfs/dbraw/zinc/04/63/75/1063046375.db2.gz JANBKFPICRDERI-GOSISDBHSA-N 1 2 354.410 2.943 20 5 FFBDLO CCNc1ccc(C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)cc1[N+](=O)[O-] ZINC001532363552 1063046397 /nfs/dbraw/zinc/04/63/97/1063046397.db2.gz JANBKFPICRDERI-GOSISDBHSA-N 1 2 354.410 2.943 20 5 FFBDLO Cn1cc[nH+]c1C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccccc1 ZINC001470441869 1064335543 /nfs/dbraw/zinc/33/55/43/1064335543.db2.gz BUBWKIRSVHXGCI-QGZVFWFLSA-N 1 2 365.393 2.624 20 5 FFBDLO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC001472855383 1065159137 /nfs/dbraw/zinc/15/91/37/1065159137.db2.gz CWYGMRCSSGRGHJ-KRWDZBQOSA-N 1 2 373.457 2.741 20 5 FFBDLO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC001472855383 1065159141 /nfs/dbraw/zinc/15/91/41/1065159141.db2.gz CWYGMRCSSGRGHJ-KRWDZBQOSA-N 1 2 373.457 2.741 20 5 FFBDLO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001473289588 1065234812 /nfs/dbraw/zinc/23/48/12/1065234812.db2.gz LZGHKIWOMDEEBA-CQSZACIVSA-N 1 2 368.397 2.888 20 5 FFBDLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001473289588 1065234819 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COC(=O)c1ccc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)c(F)c1 ZINC001560066557 1076220673 /nfs/dbraw/zinc/22/06/73/1076220673.db2.gz YXASIWSRUDYBIW-GOSISDBHSA-N 1 2 362.357 2.518 20 5 FFBDLO Cc1noc(C[N@@H+]2CC[C@@H]3CC[C@]32CNC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC001560207333 1076246479 /nfs/dbraw/zinc/24/64/79/1076246479.db2.gz LNLNEKLXSGAEAG-SJCJKPOMSA-N 1 2 366.418 2.770 20 5 FFBDLO Cc1noc(C[N@H+]2CC[C@@H]3CC[C@]32CNC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC001560207333 1076246484 /nfs/dbraw/zinc/24/64/84/1076246484.db2.gz LNLNEKLXSGAEAG-SJCJKPOMSA-N 1 2 366.418 2.770 20 5 FFBDLO C[C@H]([NH2+][C@H](CO)c1cc(F)ccc1F)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC001560224762 1076250686 /nfs/dbraw/zinc/25/06/86/1076250686.db2.gz FDIDZUTVCLAHRW-ZUZCIYMTSA-N 1 2 365.336 2.523 20 5 FFBDLO O=C(C[N@@H+]1CCC[C@H](C(F)(F)F)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000026325182 249341348 /nfs/dbraw/zinc/34/13/48/249341348.db2.gz NDCWJBBJXAZZND-LBPRGKRZSA-N 1 2 357.332 2.758 20 5 FFBDLO O=C(C[N@H+]1CCC[C@H](C(F)(F)F)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000026325182 249341352 /nfs/dbraw/zinc/34/13/52/249341352.db2.gz NDCWJBBJXAZZND-LBPRGKRZSA-N 1 2 357.332 2.758 20 5 FFBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000101864603 250090998 /nfs/dbraw/zinc/09/09/98/250090998.db2.gz ANXPTWUKDIPHQU-UHFFFAOYSA-N 1 2 357.414 2.847 20 5 FFBDLO CCc1nn(C)c(Cl)c1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000116871523 250319968 /nfs/dbraw/zinc/31/99/68/250319968.db2.gz DJFCMMRAYJZNSZ-UHFFFAOYSA-N 1 2 363.849 2.866 20 5 FFBDLO C[C@@H]1CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000272389824 252026943 /nfs/dbraw/zinc/02/69/43/252026943.db2.gz UDBPMYHJLKVCBK-YGRLFVJLSA-N 1 2 372.410 2.519 20 5 FFBDLO O=C(N1CCC(c2[nH]cc[nH+]2)CC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272577361 252072993 /nfs/dbraw/zinc/07/29/93/252072993.db2.gz RHJCESQVDUNHKA-UHFFFAOYSA-N 1 2 350.325 2.816 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000276091366 256071713 /nfs/dbraw/zinc/07/17/13/256071713.db2.gz WBAVRDSVOBYNEV-CZUORRHYSA-N 1 2 373.413 2.987 20 5 FFBDLO COc1cc(-c2nc([C@@H]3C[N@@H+](C(C)C)CCO3)no2)cc([N+](=O)[O-])c1C ZINC000276621080 256115222 /nfs/dbraw/zinc/11/52/22/256115222.db2.gz KPHMBGSPHIIWTQ-HNNXBMFYSA-N 1 2 362.386 2.744 20 5 FFBDLO COc1cc(-c2nc([C@@H]3C[N@H+](C(C)C)CCO3)no2)cc([N+](=O)[O-])c1C ZINC000276621080 256115224 /nfs/dbraw/zinc/11/52/24/256115224.db2.gz KPHMBGSPHIIWTQ-HNNXBMFYSA-N 1 2 362.386 2.744 20 5 FFBDLO O=[N+]([O-])c1cccc(CCc2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000278059719 256272200 /nfs/dbraw/zinc/27/22/00/256272200.db2.gz MKVOQYGYSYDGJH-JKSUJKDBSA-N 1 2 358.398 2.689 20 5 FFBDLO O=[N+]([O-])c1cccc(CCc2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000278059719 256272202 /nfs/dbraw/zinc/27/22/02/256272202.db2.gz MKVOQYGYSYDGJH-JKSUJKDBSA-N 1 2 358.398 2.689 20 5 FFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000278409454 256309326 /nfs/dbraw/zinc/30/93/26/256309326.db2.gz PSURYEGWTYPLQQ-MFKMUULPSA-N 1 2 363.292 2.638 20 5 FFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000278409454 256309327 /nfs/dbraw/zinc/30/93/27/256309327.db2.gz PSURYEGWTYPLQQ-MFKMUULPSA-N 1 2 363.292 2.638 20 5 FFBDLO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[NH+](Cc2ccco2)CC1 ZINC000278515670 256321259 /nfs/dbraw/zinc/32/12/59/256321259.db2.gz YNGQEPHARPFXEJ-UHFFFAOYSA-N 1 2 356.304 2.924 20 5 FFBDLO CN(C)c1cc(F)c(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000279135125 256385468 /nfs/dbraw/zinc/38/54/68/256385468.db2.gz CJFFYJQODVZYSH-UHFFFAOYSA-N 1 2 361.377 2.543 20 5 FFBDLO O=C(C[NH+]1CCC(F)(c2ccccn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000289280798 257271380 /nfs/dbraw/zinc/27/13/80/257271380.db2.gz GCHZKEKVXLWEKJ-UHFFFAOYSA-N 1 2 358.373 2.889 20 5 FFBDLO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCn2c[nH+]cc2C1 ZINC000291150158 257387885 /nfs/dbraw/zinc/38/78/85/257387885.db2.gz APFKBQBBMMKGJR-UHFFFAOYSA-N 1 2 369.303 2.536 20 5 FFBDLO COc1cc(NC[C@@H](c2ccc(C)o2)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000301368426 258045914 /nfs/dbraw/zinc/04/59/14/258045914.db2.gz RJSNAMCKBSRWHR-INIZCTEOSA-N 1 2 361.398 2.990 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)c2ncccc12 ZINC000302608318 258106477 /nfs/dbraw/zinc/10/64/77/258106477.db2.gz AAHFNYJOZPVQEA-QGZVFWFLSA-N 1 2 353.382 2.816 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)c2ccncc21 ZINC000302762862 258109926 /nfs/dbraw/zinc/10/99/26/258109926.db2.gz KSNLAEUMWLRYAM-QGZVFWFLSA-N 1 2 353.382 2.816 20 5 FFBDLO CC1(C)C[NH+]=C(N2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)S1 ZINC000301564343 258056520 /nfs/dbraw/zinc/05/65/20/258056520.db2.gz LLKDSEJXOVEFPE-UHFFFAOYSA-N 1 2 365.415 2.506 20 5 FFBDLO CC(C)[C@@H](CNc1ncc(Br)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000301695694 258063537 /nfs/dbraw/zinc/06/35/37/258063537.db2.gz POPPXRSXWCPFJK-CYBMUJFWSA-N 1 2 373.251 2.521 20 5 FFBDLO COc1ccccc1CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032042153 506225235 /nfs/dbraw/zinc/22/52/35/506225235.db2.gz ABXMZFUWGBGXFL-UHFFFAOYSA-N 1 2 366.377 2.762 20 5 FFBDLO O=C(C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)N(C1CC1)C1CCCC1 ZINC000052844763 506263326 /nfs/dbraw/zinc/26/33/26/506263326.db2.gz XCBYWICJUCGNLL-UHFFFAOYSA-N 1 2 372.469 2.650 20 5 FFBDLO COc1ccc(CN2CC[NH+](Cc3c(C)noc3C)CC2)cc1[N+](=O)[O-] ZINC000065545019 506321056 /nfs/dbraw/zinc/32/10/56/506321056.db2.gz SVWCFQMNZLEXCL-UHFFFAOYSA-N 1 2 360.414 2.526 20 5 FFBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCCc1cn2ccccc2[nH+]1 ZINC000065722952 506350945 /nfs/dbraw/zinc/35/09/45/506350945.db2.gz JKXJCDBJOWVOCI-UHFFFAOYSA-N 1 2 363.377 2.556 20 5 FFBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000054645525 506594923 /nfs/dbraw/zinc/59/49/23/506594923.db2.gz CPVQSFVBSKBLMF-UHFFFAOYSA-N 1 2 374.466 2.726 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000010656456 506750304 /nfs/dbraw/zinc/75/03/04/506750304.db2.gz PQLMUAZVIIFNRT-SFHVURJKSA-N 1 2 368.368 2.916 20 5 FFBDLO Cn1cc[nH+]c1[C@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000017590397 507127029 /nfs/dbraw/zinc/12/70/29/507127029.db2.gz AGBUEMRADOCJAB-MRXNPFEDSA-N 1 2 369.356 2.768 20 5 FFBDLO Cc1c(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)cccc1[N+](=O)[O-] ZINC000057053914 507161842 /nfs/dbraw/zinc/16/18/42/507161842.db2.gz KKYVWEFYCQVKBE-UHFFFAOYSA-N 1 2 368.437 2.903 20 5 FFBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1C ZINC000058958667 507485958 /nfs/dbraw/zinc/48/59/58/507485958.db2.gz JFGFHKNBYHFOOG-UHFFFAOYSA-N 1 2 374.353 2.796 20 5 FFBDLO Cc1cccc(NC(=O)NC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1C ZINC000026348795 507581278 /nfs/dbraw/zinc/58/12/78/507581278.db2.gz CALMOMPEDNECDT-UHFFFAOYSA-N 1 2 370.409 2.992 20 5 FFBDLO Cc1cccc(NC(=O)NC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1C ZINC000026348795 507581282 /nfs/dbraw/zinc/58/12/82/507581282.db2.gz CALMOMPEDNECDT-UHFFFAOYSA-N 1 2 370.409 2.992 20 5 FFBDLO CC(C)C[C@@H]1COCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000071041789 507686285 /nfs/dbraw/zinc/68/62/85/507686285.db2.gz HBINPFONLPABBZ-OAHLLOKOSA-N 1 2 358.398 2.668 20 5 FFBDLO O=[N+]([O-])c1c(NCc2cc[nH+]c(N3CCOCC3)c2)ccc2ncccc21 ZINC000051827968 507786679 /nfs/dbraw/zinc/78/66/79/507786679.db2.gz PVBYUGGTOYMQHN-UHFFFAOYSA-N 1 2 365.393 2.987 20 5 FFBDLO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000072715130 507845676 /nfs/dbraw/zinc/84/56/76/507845676.db2.gz MQUWIUAZTONKMY-KUHUBIRLSA-N 1 2 369.421 2.964 20 5 FFBDLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000072715130 507845678 /nfs/dbraw/zinc/84/56/78/507845678.db2.gz MQUWIUAZTONKMY-KUHUBIRLSA-N 1 2 369.421 2.964 20 5 FFBDLO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000090578540 507928643 /nfs/dbraw/zinc/92/86/43/507928643.db2.gz IYBKPWLDWMCBEM-RYUDHWBXSA-N 1 2 351.403 2.632 20 5 FFBDLO CCN(CC)c1ccc(CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000079589883 507979963 /nfs/dbraw/zinc/97/99/63/507979963.db2.gz MMYQLAFAHVEAGD-UHFFFAOYSA-N 1 2 371.441 2.589 20 5 FFBDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccncc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000080054362 508031035 /nfs/dbraw/zinc/03/10/35/508031035.db2.gz DKNVVENRMDCFJQ-HNNXBMFYSA-N 1 2 369.425 2.578 20 5 FFBDLO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)nc1 ZINC000092003639 508031451 /nfs/dbraw/zinc/03/14/51/508031451.db2.gz PKVQZIVDKWLNJI-CQSZACIVSA-N 1 2 370.409 2.855 20 5 FFBDLO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)nc1 ZINC000092003639 508031453 /nfs/dbraw/zinc/03/14/53/508031453.db2.gz PKVQZIVDKWLNJI-CQSZACIVSA-N 1 2 370.409 2.855 20 5 FFBDLO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000092456720 508072126 /nfs/dbraw/zinc/07/21/26/508072126.db2.gz RKQPWTGOQCRESW-NSHDSACASA-N 1 2 358.341 2.971 20 5 FFBDLO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000092456720 508072129 /nfs/dbraw/zinc/07/21/29/508072129.db2.gz RKQPWTGOQCRESW-NSHDSACASA-N 1 2 358.341 2.971 20 5 FFBDLO CCc1nn(C)c(NC[C@@H](c2c(F)cccc2F)[NH+](C)C)c1[N+](=O)[O-] ZINC000094159890 508171209 /nfs/dbraw/zinc/17/12/09/508171209.db2.gz DBSWZNWUUCWYME-ZDUSSCGKSA-N 1 2 353.373 2.884 20 5 FFBDLO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000114187622 508298109 /nfs/dbraw/zinc/29/81/09/508298109.db2.gz YNGFIHJPCXLFPL-GJZGRUSLSA-N 1 2 355.822 2.812 20 5 FFBDLO CC[C@H](O)[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000114187622 508298113 /nfs/dbraw/zinc/29/81/13/508298113.db2.gz YNGFIHJPCXLFPL-GJZGRUSLSA-N 1 2 355.822 2.812 20 5 FFBDLO Cc1cc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)cc([N+](=O)[O-])c1 ZINC000121879757 508439407 /nfs/dbraw/zinc/43/94/07/508439407.db2.gz OFHJIQGXXTUKGE-UHFFFAOYSA-N 1 2 369.421 2.740 20 5 FFBDLO COc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000133769546 508446420 /nfs/dbraw/zinc/44/64/20/508446420.db2.gz LBOWWKCQBYUJPV-QGZVFWFLSA-N 1 2 355.394 2.732 20 5 FFBDLO COc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000133769546 508446424 /nfs/dbraw/zinc/44/64/24/508446424.db2.gz LBOWWKCQBYUJPV-QGZVFWFLSA-N 1 2 355.394 2.732 20 5 FFBDLO Cc1n[nH]c(C(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)c1[N+](=O)[O-] ZINC000116206407 508486392 /nfs/dbraw/zinc/48/63/92/508486392.db2.gz GIQBUEGHBRJGJQ-UHFFFAOYSA-N 1 2 371.441 2.708 20 5 FFBDLO Cc1[nH]nc(C(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)c1[N+](=O)[O-] ZINC000116206407 508486395 /nfs/dbraw/zinc/48/63/95/508486395.db2.gz GIQBUEGHBRJGJQ-UHFFFAOYSA-N 1 2 371.441 2.708 20 5 FFBDLO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000123276723 508662940 /nfs/dbraw/zinc/66/29/40/508662940.db2.gz CQZAWFOUGOPOIW-BZNIZROVSA-N 1 2 373.369 2.731 20 5 FFBDLO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C[N@@H+]1Cc1ccccc1 ZINC000137881917 508766349 /nfs/dbraw/zinc/76/63/49/508766349.db2.gz GQRLLNBHDPFYAT-BBRMVZONSA-N 1 2 355.394 2.693 20 5 FFBDLO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C[N@H+]1Cc1ccccc1 ZINC000137881917 508766353 /nfs/dbraw/zinc/76/63/53/508766353.db2.gz GQRLLNBHDPFYAT-BBRMVZONSA-N 1 2 355.394 2.693 20 5 FFBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000119297080 508767045 /nfs/dbraw/zinc/76/70/45/508767045.db2.gz CRWMNXQQAZAMCN-ZDUSSCGKSA-N 1 2 367.409 2.905 20 5 FFBDLO CNc1ccc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000142961971 508826596 /nfs/dbraw/zinc/82/65/96/508826596.db2.gz DHAWDPMMLBPZGL-UHFFFAOYSA-N 1 2 370.409 2.721 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000130781525 508845126 /nfs/dbraw/zinc/84/51/26/508845126.db2.gz CMZSNIVZJZEMOR-UHFFFAOYSA-N 1 2 355.394 2.567 20 5 FFBDLO O=C(N[C@@H](CCO)c1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000150907681 508920132 /nfs/dbraw/zinc/92/01/32/508920132.db2.gz PNMPCSMGCKDUBZ-INIZCTEOSA-N 1 2 366.377 2.634 20 5 FFBDLO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000160001988 508923461 /nfs/dbraw/zinc/92/34/61/508923461.db2.gz HGIBJGCOMKZESA-CYBMUJFWSA-N 1 2 363.805 2.538 20 5 FFBDLO CCN(CC)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)c[nH+]1 ZINC000160344040 508973398 /nfs/dbraw/zinc/97/33/98/508973398.db2.gz KRYITCOTFONDAT-UHFFFAOYSA-N 1 2 358.398 2.775 20 5 FFBDLO COC(=O)[C@H]1C[C@H](OC)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000125766661 509027188 /nfs/dbraw/zinc/02/71/88/509027188.db2.gz IUQYGSWFFHOHHB-JKSUJKDBSA-N 1 2 360.366 2.617 20 5 FFBDLO COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000125766661 509027191 /nfs/dbraw/zinc/02/71/91/509027191.db2.gz IUQYGSWFFHOHHB-JKSUJKDBSA-N 1 2 360.366 2.617 20 5 FFBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000120809237 509069141 /nfs/dbraw/zinc/06/91/41/509069141.db2.gz GLWMMOMPFNDHJD-SFHVURJKSA-N 1 2 370.409 2.862 20 5 FFBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161448977 509116182 /nfs/dbraw/zinc/11/61/82/509116182.db2.gz IXHSDOPLKWKGJD-UONOGXRCSA-N 1 2 372.450 2.866 20 5 FFBDLO Cc1c(CC(=O)Nc2ccccc2C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000162253872 509182866 /nfs/dbraw/zinc/18/28/66/509182866.db2.gz CVZZTOXJRCXCLA-UHFFFAOYSA-N 1 2 369.421 2.917 20 5 FFBDLO Cc1sc(C(=O)N[C@H](C)C2([NH+]3CCOCC3)CCCC2)cc1[N+](=O)[O-] ZINC000175925087 509219208 /nfs/dbraw/zinc/21/92/08/509219208.db2.gz VPSHZIQCIMLLNN-CYBMUJFWSA-N 1 2 367.471 2.728 20 5 FFBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000185538566 509228613 /nfs/dbraw/zinc/22/86/13/509228613.db2.gz HKMVHBHCVAGPAX-DLBZAZTESA-N 1 2 368.437 2.954 20 5 FFBDLO O=C(Cc1cccc([N+](=O)[O-])c1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000172823712 509256721 /nfs/dbraw/zinc/25/67/21/509256721.db2.gz WFBSBAVJMYPHQT-UHFFFAOYSA-N 1 2 354.410 2.839 20 5 FFBDLO C[C@@H](Nc1[nH+]cnc2c1cnn2-c1ncccn1)c1cccc([N+](=O)[O-])c1 ZINC000163341038 509365522 /nfs/dbraw/zinc/36/55/22/509365522.db2.gz TVZHOYDIGJUQSG-LLVKDONJSA-N 1 2 362.353 2.687 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000182841740 509455384 /nfs/dbraw/zinc/45/53/84/509455384.db2.gz GJFBJEXQTNETJC-SJORKVTESA-N 1 2 374.485 2.593 20 5 FFBDLO CSc1cccc(C(=O)NCCc2cn3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000186057858 509502519 /nfs/dbraw/zinc/50/25/19/509502519.db2.gz MSJVDPTXMRGVEV-UHFFFAOYSA-N 1 2 356.407 2.937 20 5 FFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)cs1 ZINC000264402996 509506409 /nfs/dbraw/zinc/50/64/09/509506409.db2.gz UNNVAHPCYHWEAU-UHFFFAOYSA-N 1 2 363.443 2.625 20 5 FFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)cs1 ZINC000264402996 509506417 /nfs/dbraw/zinc/50/64/17/509506417.db2.gz UNNVAHPCYHWEAU-UHFFFAOYSA-N 1 2 363.443 2.625 20 5 FFBDLO CC1(C)C[N@H+](CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCO1 ZINC000170629316 509686449 /nfs/dbraw/zinc/68/64/49/509686449.db2.gz QIYPCRUALGEVDA-UHFFFAOYSA-N 1 2 363.439 2.650 20 5 FFBDLO CC1(C)C[N@@H+](CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCO1 ZINC000170629316 509686455 /nfs/dbraw/zinc/68/64/55/509686455.db2.gz QIYPCRUALGEVDA-UHFFFAOYSA-N 1 2 363.439 2.650 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC(=O)OC(C)(C)C ZINC000170645919 509694298 /nfs/dbraw/zinc/69/42/98/509694298.db2.gz FOUKSKJYGBWOEK-UHFFFAOYSA-N 1 2 351.403 2.505 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC(=O)OC(C)(C)C ZINC000170645919 509694309 /nfs/dbraw/zinc/69/43/09/509694309.db2.gz FOUKSKJYGBWOEK-UHFFFAOYSA-N 1 2 351.403 2.505 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1ncc(Cl)n1C ZINC000183280367 509696004 /nfs/dbraw/zinc/69/60/04/509696004.db2.gz ZCNPWNUKQIZNJU-UHFFFAOYSA-N 1 2 365.821 2.751 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1ncc(Cl)n1C ZINC000183280367 509696008 /nfs/dbraw/zinc/69/60/08/509696008.db2.gz ZCNPWNUKQIZNJU-UHFFFAOYSA-N 1 2 365.821 2.751 20 5 FFBDLO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000176843573 509720855 /nfs/dbraw/zinc/72/08/55/509720855.db2.gz LQZHHWWULJHVNW-CQSZACIVSA-N 1 2 350.400 2.542 20 5 FFBDLO CSc1cccc(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC000186488255 509735107 /nfs/dbraw/zinc/73/51/07/509735107.db2.gz SDIWSIUXTAZLRV-UHFFFAOYSA-N 1 2 369.406 2.827 20 5 FFBDLO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000183611657 509885785 /nfs/dbraw/zinc/88/57/85/509885785.db2.gz FKDKPLZJQMXIJQ-UHFFFAOYSA-N 1 2 359.382 2.630 20 5 FFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000255498111 509925684 /nfs/dbraw/zinc/92/56/84/509925684.db2.gz GTOWCUIEHQTNJW-YVMONPNESA-N 1 2 366.421 2.769 20 5 FFBDLO COC1CCC(N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000265224311 509931719 /nfs/dbraw/zinc/93/17/19/509931719.db2.gz SXMDYSARSCJJFZ-UHFFFAOYSA-N 1 2 358.398 2.810 20 5 FFBDLO Cc1nc2sccn2c1C[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000268463939 509947519 /nfs/dbraw/zinc/94/75/19/509947519.db2.gz FSWFQKYGXSJKQX-UHFFFAOYSA-N 1 2 373.438 2.707 20 5 FFBDLO Cc1nc2sccn2c1C[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000268463939 509947525 /nfs/dbraw/zinc/94/75/25/509947525.db2.gz FSWFQKYGXSJKQX-UHFFFAOYSA-N 1 2 373.438 2.707 20 5 FFBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000180555424 509982041 /nfs/dbraw/zinc/98/20/41/509982041.db2.gz DBARAFJESZBKMG-UHFFFAOYSA-N 1 2 352.354 2.968 20 5 FFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCCN(CC(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000193679997 510016950 /nfs/dbraw/zinc/01/69/50/510016950.db2.gz LWGQXYBJKQIDEX-UHFFFAOYSA-N 1 2 362.308 2.573 20 5 FFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCCN(CC(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000193679997 510016958 /nfs/dbraw/zinc/01/69/58/510016958.db2.gz LWGQXYBJKQIDEX-UHFFFAOYSA-N 1 2 362.308 2.573 20 5 FFBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000183914289 510035094 /nfs/dbraw/zinc/03/50/94/510035094.db2.gz CCWIQRBVEKZKFO-GXDHUFHOSA-N 1 2 363.377 2.895 20 5 FFBDLO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183919576 510038644 /nfs/dbraw/zinc/03/86/44/510038644.db2.gz PVSKRSYIQOBYLQ-INIZCTEOSA-N 1 2 371.393 2.530 20 5 FFBDLO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183919576 510038650 /nfs/dbraw/zinc/03/86/50/510038650.db2.gz PVSKRSYIQOBYLQ-INIZCTEOSA-N 1 2 371.393 2.530 20 5 FFBDLO O=C1C[C@H](c2ccccc2)[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1 ZINC000193771327 510061378 /nfs/dbraw/zinc/06/13/78/510061378.db2.gz FQDKCIUBICJBRB-MRXNPFEDSA-N 1 2 370.365 2.566 20 5 FFBDLO O=C1C[C@H](c2ccccc2)[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1 ZINC000193771327 510061383 /nfs/dbraw/zinc/06/13/83/510061383.db2.gz FQDKCIUBICJBRB-MRXNPFEDSA-N 1 2 370.365 2.566 20 5 FFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000193924497 510131173 /nfs/dbraw/zinc/13/11/73/510131173.db2.gz WSYHTQDXSRRGHW-UHFFFAOYSA-N 1 2 355.329 2.553 20 5 FFBDLO CC(C)c1n[nH]c(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1[N+](=O)[O-] ZINC000269376875 510371025 /nfs/dbraw/zinc/37/10/25/510371025.db2.gz NTKKWCUXVRZWCM-UHFFFAOYSA-N 1 2 372.429 2.757 20 5 FFBDLO CCc1nc([C@H](C)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cs1 ZINC000184688358 510464172 /nfs/dbraw/zinc/46/41/72/510464172.db2.gz KCFIZXPBGIPHKS-NSHDSACASA-N 1 2 360.439 2.854 20 5 FFBDLO CCc1ccc([C@H](COC)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)o1 ZINC000184795340 510520448 /nfs/dbraw/zinc/52/04/48/510520448.db2.gz UNKAGDHCQXXEGI-INIZCTEOSA-N 1 2 361.398 2.974 20 5 FFBDLO C[C@@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cccc([N+](=O)[O-])c1 ZINC000178733514 510744855 /nfs/dbraw/zinc/74/48/55/510744855.db2.gz WETBIGYLNKGBII-UKRRQHHQSA-N 1 2 355.398 2.629 20 5 FFBDLO CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)n1 ZINC000191774714 510825181 /nfs/dbraw/zinc/82/51/81/510825181.db2.gz FYUPFBQJGMOQTH-UHFFFAOYSA-N 1 2 372.429 2.517 20 5 FFBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000182265185 510838631 /nfs/dbraw/zinc/83/86/31/510838631.db2.gz UQFQFMYJEFHDEA-AWEZNQCLSA-N 1 2 367.405 2.874 20 5 FFBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000182265185 510838636 /nfs/dbraw/zinc/83/86/36/510838636.db2.gz UQFQFMYJEFHDEA-AWEZNQCLSA-N 1 2 367.405 2.874 20 5 FFBDLO C[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)CO1 ZINC000247359273 510858415 /nfs/dbraw/zinc/85/84/15/510858415.db2.gz HEXUMDZMHGHFMW-MOXGXCLJSA-N 1 2 372.421 2.797 20 5 FFBDLO C[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)CO1 ZINC000247359273 510858416 /nfs/dbraw/zinc/85/84/16/510858416.db2.gz HEXUMDZMHGHFMW-MOXGXCLJSA-N 1 2 372.421 2.797 20 5 FFBDLO Nc1ccc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1[N+](=O)[O-] ZINC000282542118 511019485 /nfs/dbraw/zinc/01/94/85/511019485.db2.gz CXOGMWBYUZVURB-AWEZNQCLSA-N 1 2 369.425 2.730 20 5 FFBDLO CC(=O)c1cccc(NC(=O)C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000282567725 511029238 /nfs/dbraw/zinc/02/92/38/511029238.db2.gz ZGGHLCZDDFKFGT-UHFFFAOYSA-N 1 2 355.394 2.910 20 5 FFBDLO CC(=O)c1cccc(NC(=O)C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000282567725 511029241 /nfs/dbraw/zinc/02/92/41/511029241.db2.gz ZGGHLCZDDFKFGT-UHFFFAOYSA-N 1 2 355.394 2.910 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000364854047 511116299 /nfs/dbraw/zinc/11/62/99/511116299.db2.gz MZMNGJUEAQRHJU-GOSISDBHSA-N 1 2 368.368 2.916 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])c(-c2nc([C@H]3C[N@@H+](C(C)C)CCO3)no2)c1 ZINC000282961368 511177791 /nfs/dbraw/zinc/17/77/91/511177791.db2.gz KMDHACWQQHBWNR-OAHLLOKOSA-N 1 2 362.386 2.825 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])c(-c2nc([C@H]3C[N@H+](C(C)C)CCO3)no2)c1 ZINC000282961368 511177793 /nfs/dbraw/zinc/17/77/93/511177793.db2.gz KMDHACWQQHBWNR-OAHLLOKOSA-N 1 2 362.386 2.825 20 5 FFBDLO C[C@@H](O)C[C@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000279824565 511230472 /nfs/dbraw/zinc/23/04/72/511230472.db2.gz QQOIGGPCHLLRHL-UKRRQHHQSA-N 1 2 358.398 2.546 20 5 FFBDLO COc1cc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])cc1F ZINC000295192878 511316036 /nfs/dbraw/zinc/31/60/36/511316036.db2.gz VDVWHLNLLOVEIG-ABAIWWIYSA-N 1 2 362.361 2.662 20 5 FFBDLO CCc1c[nH+]ccc1NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000271889924 511361507 /nfs/dbraw/zinc/36/15/07/511361507.db2.gz JQIBABWNVXHPSA-UHFFFAOYSA-N 1 2 356.382 2.641 20 5 FFBDLO C[C@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000295330174 511364938 /nfs/dbraw/zinc/36/49/38/511364938.db2.gz LVSWFOKAUCVMER-HNNXBMFYSA-N 1 2 369.421 2.918 20 5 FFBDLO Cc1cn2c([nH+]1)CN(C(=O)c1cccc3c(=O)c4ccccc4[nH]c13)CC2 ZINC000365454755 511460142 /nfs/dbraw/zinc/46/01/42/511460142.db2.gz BXXRBZZWJVJOOY-UHFFFAOYSA-N 1 2 358.401 2.842 20 5 FFBDLO Nc1ccc(NC[C@H](c2cccc(F)c2)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000283745074 511484461 /nfs/dbraw/zinc/48/44/61/511484461.db2.gz JULGEIYZLFXNFB-GOSISDBHSA-N 1 2 360.389 2.802 20 5 FFBDLO O=C(NC[C@@H]1CCC(F)(F)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000280558499 511511442 /nfs/dbraw/zinc/51/14/42/511511442.db2.gz JICYPMSHZNNQLT-LLVKDONJSA-N 1 2 350.325 2.946 20 5 FFBDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)[NH+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000292298131 511543033 /nfs/dbraw/zinc/54/30/33/511543033.db2.gz MPULCXAJVLQKKC-CPUCHLNUSA-N 1 2 363.458 2.596 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](OC)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000296014334 511589851 /nfs/dbraw/zinc/58/98/51/511589851.db2.gz MSGCBHYIKHELAJ-MRXNPFEDSA-N 1 2 365.430 2.679 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](OC)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000296014334 511589858 /nfs/dbraw/zinc/58/98/58/511589858.db2.gz MSGCBHYIKHELAJ-MRXNPFEDSA-N 1 2 365.430 2.679 20 5 FFBDLO CC(C)[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000296035515 511596741 /nfs/dbraw/zinc/59/67/41/511596741.db2.gz NVTQTPNOOPCIHK-LLVKDONJSA-N 1 2 358.807 2.647 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1nncn1C(C)C ZINC000292556375 511641006 /nfs/dbraw/zinc/64/10/06/511641006.db2.gz ZAOUFVAEHSKNGL-UHFFFAOYSA-N 1 2 360.418 2.536 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1nncn1C(C)C ZINC000292556375 511641009 /nfs/dbraw/zinc/64/10/09/511641009.db2.gz ZAOUFVAEHSKNGL-UHFFFAOYSA-N 1 2 360.418 2.536 20 5 FFBDLO CCOc1ccc(-c2nc([C@@H]3C[N@@H+](C(C)C)CCO3)no2)cc1[N+](=O)[O-] ZINC000349845502 511673485 /nfs/dbraw/zinc/67/34/85/511673485.db2.gz CBIMRVFCOOONAC-HNNXBMFYSA-N 1 2 362.386 2.825 20 5 FFBDLO CCOc1ccc(-c2nc([C@@H]3C[N@H+](C(C)C)CCO3)no2)cc1[N+](=O)[O-] ZINC000349845502 511673489 /nfs/dbraw/zinc/67/34/89/511673489.db2.gz CBIMRVFCOOONAC-HNNXBMFYSA-N 1 2 362.386 2.825 20 5 FFBDLO Cn1c2c([nH+]c1[C@@H]1CCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1)CCCC2 ZINC000284547275 511767274 /nfs/dbraw/zinc/76/72/74/511767274.db2.gz HOLNCIKVBYPKBQ-KRWDZBQOSA-N 1 2 370.409 2.890 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000296602648 511814371 /nfs/dbraw/zinc/81/43/71/511814371.db2.gz HMSZABHKJHDUCI-AWEZNQCLSA-N 1 2 359.386 2.952 20 5 FFBDLO CC(C)[C@@]1(CO)CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000293036040 511815035 /nfs/dbraw/zinc/81/50/35/511815035.db2.gz LQEIBQYDTJWNDC-KRWDZBQOSA-N 1 2 369.849 2.917 20 5 FFBDLO CC(C)[C@@]1(CO)CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000293036040 511815040 /nfs/dbraw/zinc/81/50/40/511815040.db2.gz LQEIBQYDTJWNDC-KRWDZBQOSA-N 1 2 369.849 2.917 20 5 FFBDLO Cc1cc(OCC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000281477078 511861467 /nfs/dbraw/zinc/86/14/67/511861467.db2.gz SPHIEMDYXBYOLS-DYVFJYSZSA-N 1 2 358.398 2.588 20 5 FFBDLO COc1cc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)ccc1[N+](=O)[O-] ZINC000351024321 511931017 /nfs/dbraw/zinc/93/10/17/511931017.db2.gz KEMSVCGSQJTMAS-SWLSCSKDSA-N 1 2 360.370 2.579 20 5 FFBDLO COc1cc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)ccc1[N+](=O)[O-] ZINC000351024321 511931023 /nfs/dbraw/zinc/93/10/23/511931023.db2.gz KEMSVCGSQJTMAS-SWLSCSKDSA-N 1 2 360.370 2.579 20 5 FFBDLO CN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274935238 511992695 /nfs/dbraw/zinc/99/26/95/511992695.db2.gz MHEGPBKIFMPSHB-MRXNPFEDSA-N 1 2 355.394 2.647 20 5 FFBDLO CN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274935238 511992701 /nfs/dbraw/zinc/99/27/01/511992701.db2.gz MHEGPBKIFMPSHB-MRXNPFEDSA-N 1 2 355.394 2.647 20 5 FFBDLO COC[C@H]1CC[N@@H+]1Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000293550167 512006629 /nfs/dbraw/zinc/00/66/29/512006629.db2.gz DXIFBSXXXIXCSN-LLVKDONJSA-N 1 2 364.320 2.765 20 5 FFBDLO COC[C@H]1CC[N@H+]1Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000293550167 512006631 /nfs/dbraw/zinc/00/66/31/512006631.db2.gz DXIFBSXXXIXCSN-LLVKDONJSA-N 1 2 364.320 2.765 20 5 FFBDLO Cc1cccc(C)c1-n1nnnc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285216273 512040941 /nfs/dbraw/zinc/04/09/41/512040941.db2.gz FAEKALVTUWADGR-UHFFFAOYSA-N 1 2 366.425 2.862 20 5 FFBDLO Cc1cccc(C)c1-n1nnnc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285216273 512040944 /nfs/dbraw/zinc/04/09/44/512040944.db2.gz FAEKALVTUWADGR-UHFFFAOYSA-N 1 2 366.425 2.862 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC(c2cn[nH]c2)CC1 ZINC000375813944 512521284 /nfs/dbraw/zinc/52/12/84/512521284.db2.gz KLAXPCMVERQMCH-UHFFFAOYSA-N 1 2 366.381 2.523 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000373938676 512582428 /nfs/dbraw/zinc/58/24/28/512582428.db2.gz OGZBHMGHKAMURO-KGLIPLIRSA-N 1 2 355.398 2.591 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000373938676 512582433 /nfs/dbraw/zinc/58/24/33/512582433.db2.gz OGZBHMGHKAMURO-KGLIPLIRSA-N 1 2 355.398 2.591 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000376117376 512668647 /nfs/dbraw/zinc/66/86/47/512668647.db2.gz SDLSRSWXWWSWPF-CQSZACIVSA-N 1 2 357.414 2.537 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000376460452 512827550 /nfs/dbraw/zinc/82/75/50/512827550.db2.gz WWOUCPRBPBFNKV-CYBMUJFWSA-N 1 2 357.414 2.587 20 5 FFBDLO C[C@H](C(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccc([N+](=O)[O-])cc1F ZINC000370328147 512879251 /nfs/dbraw/zinc/87/92/51/512879251.db2.gz WEHNGHHZEKDEND-LBPRGKRZSA-N 1 2 360.389 2.729 20 5 FFBDLO Cc1cc[nH+]cc1N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000412318221 513037932 /nfs/dbraw/zinc/03/79/32/513037932.db2.gz PVAIVYAMNUIRHZ-ZWKOTPCHSA-N 1 2 366.421 2.751 20 5 FFBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])CCC2 ZINC000372820294 513058469 /nfs/dbraw/zinc/05/84/69/513058469.db2.gz GWPNWLRBYZPYRV-CQSZACIVSA-N 1 2 357.414 2.819 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000439925220 513212868 /nfs/dbraw/zinc/21/28/68/513212868.db2.gz GFRZJJITKTZSQU-UHFFFAOYSA-N 1 2 355.354 2.963 20 5 FFBDLO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C[C@@H]1C ZINC000450500785 513223861 /nfs/dbraw/zinc/22/38/61/513223861.db2.gz OEASKYBKAHKMOK-STQMWFEESA-N 1 2 357.414 2.540 20 5 FFBDLO CC[N@H+]1C[C@H](C)N(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C[C@@H]1C ZINC000450500785 513223865 /nfs/dbraw/zinc/22/38/65/513223865.db2.gz OEASKYBKAHKMOK-STQMWFEESA-N 1 2 357.414 2.540 20 5 FFBDLO Cc1ccc(NC(=O)C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC000446699123 513317192 /nfs/dbraw/zinc/31/71/92/513317192.db2.gz ZOTMZFTXBDKBOV-UHFFFAOYSA-N 1 2 365.349 2.666 20 5 FFBDLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1F ZINC000440495170 513333878 /nfs/dbraw/zinc/33/38/78/513333878.db2.gz BDVAWGCMBUJUQJ-AWEZNQCLSA-N 1 2 373.388 2.562 20 5 FFBDLO Cc1ccc(NC(=O)C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1F ZINC000440495170 513333886 /nfs/dbraw/zinc/33/38/86/513333886.db2.gz BDVAWGCMBUJUQJ-AWEZNQCLSA-N 1 2 373.388 2.562 20 5 FFBDLO O=C(C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1c[nH]c2ccccc12 ZINC000440493993 513334249 /nfs/dbraw/zinc/33/42/49/513334249.db2.gz ZGSTYRNUWFNKGA-CYBMUJFWSA-N 1 2 365.393 2.840 20 5 FFBDLO O=C(C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1c[nH]c2ccccc12 ZINC000440493993 513334256 /nfs/dbraw/zinc/33/42/56/513334256.db2.gz ZGSTYRNUWFNKGA-CYBMUJFWSA-N 1 2 365.393 2.840 20 5 FFBDLO C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[NH+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000429400630 513367085 /nfs/dbraw/zinc/36/70/85/513367085.db2.gz YOOJOMHSWLAGKB-GJZGRUSLSA-N 1 2 363.458 2.941 20 5 FFBDLO O=[N+]([O-])c1ccc2ccnc(NCc3cc[nH+]c(N4CCOCC4)c3)c2c1 ZINC000413045612 513405357 /nfs/dbraw/zinc/40/53/57/513405357.db2.gz OLJVYCFUUNOXOW-UHFFFAOYSA-N 1 2 365.393 2.987 20 5 FFBDLO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@H](CC)O1 ZINC000421979973 513501849 /nfs/dbraw/zinc/50/18/49/513501849.db2.gz OIARMUWAOCFJFP-GJZGRUSLSA-N 1 2 358.398 2.810 20 5 FFBDLO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@@H](CC)O1 ZINC000421979976 513502338 /nfs/dbraw/zinc/50/23/38/513502338.db2.gz OIARMUWAOCFJFP-HUUCEWRRSA-N 1 2 358.398 2.810 20 5 FFBDLO C[NH+](C)[C@H]1CCc2cc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])ccc21 ZINC000451090463 513512783 /nfs/dbraw/zinc/51/27/83/513512783.db2.gz UKISLLZJCFEVRP-HNNXBMFYSA-N 1 2 361.423 2.945 20 5 FFBDLO CN(C)C(=O)C1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425382334 513536089 /nfs/dbraw/zinc/53/60/89/513536089.db2.gz IFIFKAGRDCSXMM-UHFFFAOYSA-N 1 2 370.247 2.658 20 5 FFBDLO CCOC(=O)C1(COC)CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413257071 513550876 /nfs/dbraw/zinc/55/08/76/513550876.db2.gz APHOQGOACHVJFZ-UHFFFAOYSA-N 1 2 373.409 2.939 20 5 FFBDLO COCCO[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425415396 513552838 /nfs/dbraw/zinc/55/28/38/513552838.db2.gz FJNNJRXVEWUNSD-CQSZACIVSA-N 1 2 373.247 2.985 20 5 FFBDLO COCCO[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425415396 513552846 /nfs/dbraw/zinc/55/28/46/513552846.db2.gz FJNNJRXVEWUNSD-CQSZACIVSA-N 1 2 373.247 2.985 20 5 FFBDLO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cccc21 ZINC000447723944 513553364 /nfs/dbraw/zinc/55/33/64/513553364.db2.gz SEHDRCBVUARDMD-AWEZNQCLSA-N 1 2 357.366 2.938 20 5 FFBDLO CCc1cc(N)nc(SCCOc2ccc(OC)cc2[N+](=O)[O-])[nH+]1 ZINC000447775127 513566851 /nfs/dbraw/zinc/56/68/51/513566851.db2.gz GCZORVXXDPEHCV-UHFFFAOYSA-N 1 2 350.400 2.539 20 5 FFBDLO C[C@H](Cc1ccncc1)Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447799231 513571068 /nfs/dbraw/zinc/57/10/68/513571068.db2.gz GOSAMCPNFIRUFL-OAHLLOKOSA-N 1 2 356.426 2.865 20 5 FFBDLO CCc1cnc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3OC)CC2)s1 ZINC000430216321 513589468 /nfs/dbraw/zinc/58/94/68/513589468.db2.gz FFDSGSDAYZRRPL-UHFFFAOYSA-N 1 2 362.455 2.945 20 5 FFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425514835 513614892 /nfs/dbraw/zinc/61/48/92/513614892.db2.gz QHPNFTHAQUHWNX-ZDUSSCGKSA-N 1 2 366.219 2.786 20 5 FFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425514835 513614894 /nfs/dbraw/zinc/61/48/94/513614894.db2.gz QHPNFTHAQUHWNX-ZDUSSCGKSA-N 1 2 366.219 2.786 20 5 FFBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000430422149 513650026 /nfs/dbraw/zinc/65/00/26/513650026.db2.gz HZAFWQRLZSPWSB-UHFFFAOYSA-N 1 2 353.382 2.881 20 5 FFBDLO COc1ccc(NC(=O)C[NH+]2CCC(OC3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000419296159 513767082 /nfs/dbraw/zinc/76/70/82/513767082.db2.gz CYSZJWYUFRAJSI-UHFFFAOYSA-N 1 2 363.414 2.575 20 5 FFBDLO Cc1cc(S(=O)(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)c(C)cc1[N+](=O)[O-] ZINC000416488961 513798438 /nfs/dbraw/zinc/79/84/38/513798438.db2.gz QCUBOYCRHDYPIA-CQSZACIVSA-N 1 2 352.416 2.610 20 5 FFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1ncnn1CC(F)F ZINC000426499940 513961377 /nfs/dbraw/zinc/96/13/77/513961377.db2.gz SAOOFUDRCKBZKB-SDQBBNPISA-N 1 2 351.357 2.987 20 5 FFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1ncnn1CC(F)F ZINC000426499940 513961384 /nfs/dbraw/zinc/96/13/84/513961384.db2.gz SAOOFUDRCKBZKB-SDQBBNPISA-N 1 2 351.357 2.987 20 5 FFBDLO CCOc1cc(C[N@@H+]2CCCC[C@H]2C(=O)NCC(F)F)ccc1[N+](=O)[O-] ZINC000451801529 513989754 /nfs/dbraw/zinc/98/97/54/513989754.db2.gz IMWCLCZRKKOMPH-AWEZNQCLSA-N 1 2 371.384 2.729 20 5 FFBDLO CCOc1cc(C[N@H+]2CCCC[C@H]2C(=O)NCC(F)F)ccc1[N+](=O)[O-] ZINC000451801529 513989757 /nfs/dbraw/zinc/98/97/57/513989757.db2.gz IMWCLCZRKKOMPH-AWEZNQCLSA-N 1 2 371.384 2.729 20 5 FFBDLO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436876004 514017102 /nfs/dbraw/zinc/01/71/02/514017102.db2.gz ZWDLVRQTOBVESC-KSSFIOAISA-N 1 2 369.421 2.941 20 5 FFBDLO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436876004 514017109 /nfs/dbraw/zinc/01/71/09/514017109.db2.gz ZWDLVRQTOBVESC-KSSFIOAISA-N 1 2 369.421 2.941 20 5 FFBDLO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000436959043 514050804 /nfs/dbraw/zinc/05/08/04/514050804.db2.gz LIAMSNQORAISHD-HIFRSBDPSA-N 1 2 355.394 2.866 20 5 FFBDLO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000436959043 514050814 /nfs/dbraw/zinc/05/08/14/514050814.db2.gz LIAMSNQORAISHD-HIFRSBDPSA-N 1 2 355.394 2.866 20 5 FFBDLO C[C@@]12CCN(C(=O)c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)C[C@@H]1C2(F)F ZINC000451923983 514074148 /nfs/dbraw/zinc/07/41/48/514074148.db2.gz CQPDAAIUQCMJJL-GOEBONIOSA-N 1 2 362.336 2.898 20 5 FFBDLO C[C@H]1C[N@H+](C)CCN1C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444007524 514097085 /nfs/dbraw/zinc/09/70/85/514097085.db2.gz BHVYJUHQFQWMMD-NSHDSACASA-N 1 2 371.387 2.736 20 5 FFBDLO C[C@H]1C[N@@H+](C)CCN1C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444007524 514097090 /nfs/dbraw/zinc/09/70/90/514097090.db2.gz BHVYJUHQFQWMMD-NSHDSACASA-N 1 2 371.387 2.736 20 5 FFBDLO Cc1cc(S(=O)(=O)Nc2cccc3c2C[N@H+](C)C3)c(C)cc1[N+](=O)[O-] ZINC000414450034 514125007 /nfs/dbraw/zinc/12/50/07/514125007.db2.gz FQEVSFXUWJUYJW-UHFFFAOYSA-N 1 2 361.423 2.958 20 5 FFBDLO Cc1cc(S(=O)(=O)Nc2cccc3c2C[N@@H+](C)C3)c(C)cc1[N+](=O)[O-] ZINC000414450034 514125013 /nfs/dbraw/zinc/12/50/13/514125013.db2.gz FQEVSFXUWJUYJW-UHFFFAOYSA-N 1 2 361.423 2.958 20 5 FFBDLO CCOc1cc(N2CC[NH+](Cc3ccncc3F)CC2)ccc1[N+](=O)[O-] ZINC000449291763 514148334 /nfs/dbraw/zinc/14/83/34/514148334.db2.gz AEXCDKWGZXDJOG-UHFFFAOYSA-N 1 2 360.389 2.850 20 5 FFBDLO CCOc1cccc(C[N@H+](CCO)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000452043660 514157244 /nfs/dbraw/zinc/15/72/44/514157244.db2.gz FFRDIJMKSSWXMY-UHFFFAOYSA-N 1 2 370.409 2.864 20 5 FFBDLO CCOc1cccc(C[N@@H+](CCO)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000452043660 514157248 /nfs/dbraw/zinc/15/72/48/514157248.db2.gz FFRDIJMKSSWXMY-UHFFFAOYSA-N 1 2 370.409 2.864 20 5 FFBDLO Cc1cc(CNc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])cc(C)[nH+]1 ZINC000420648445 514215046 /nfs/dbraw/zinc/21/50/46/514215046.db2.gz DJYHYGQIVALFCL-UHFFFAOYSA-N 1 2 370.409 2.691 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+](C)Cc2cccc(C)n2)c([N+](=O)[O-])c1 ZINC000437899273 514262959 /nfs/dbraw/zinc/26/29/59/514262959.db2.gz CVOAYGAUUWIXFB-UHFFFAOYSA-N 1 2 358.398 2.767 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+](C)Cc2cccc(C)n2)c([N+](=O)[O-])c1 ZINC000437899273 514262968 /nfs/dbraw/zinc/26/29/68/514262968.db2.gz CVOAYGAUUWIXFB-UHFFFAOYSA-N 1 2 358.398 2.767 20 5 FFBDLO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1cc(F)cc(F)c1 ZINC000444710336 514302046 /nfs/dbraw/zinc/30/20/46/514302046.db2.gz UQJJVZYMXPJNAN-UHFFFAOYSA-N 1 2 361.348 2.894 20 5 FFBDLO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1cc(F)cc(F)c1 ZINC000444710336 514302053 /nfs/dbraw/zinc/30/20/53/514302053.db2.gz UQJJVZYMXPJNAN-UHFFFAOYSA-N 1 2 361.348 2.894 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1(C)C ZINC000452454490 514363990 /nfs/dbraw/zinc/36/39/90/514363990.db2.gz UOVFMTVJWCJRDF-QGZVFWFLSA-N 1 2 367.409 2.962 20 5 FFBDLO Cc1c([C@@H]2C[C@H]2Nc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)cnn1C ZINC000439114417 514495714 /nfs/dbraw/zinc/49/57/14/514495714.db2.gz BWEOXQSEXPSSIK-DOTOQJQBSA-N 1 2 364.409 2.792 20 5 FFBDLO C[C@@H]1CN(c2ccc(Nc3nc4cc([N+](=O)[O-])ccc4[nH]3)c[nH+]2)C[C@H](C)O1 ZINC000450255554 514567524 /nfs/dbraw/zinc/56/75/24/514567524.db2.gz ZNXZZEPGZJHVSZ-TXEJJXNPSA-N 1 2 368.397 2.645 20 5 FFBDLO Cc1cc(C)c(NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)c(C)[nH+]1 ZINC000455518730 514569277 /nfs/dbraw/zinc/56/92/77/514569277.db2.gz LXQJAHKTPFAWMC-UHFFFAOYSA-N 1 2 370.413 2.664 20 5 FFBDLO CCS(=O)(=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)s1 ZINC000475225103 514588658 /nfs/dbraw/zinc/58/86/58/514588658.db2.gz REYDHEBHZWDBEN-UHFFFAOYSA-N 1 2 358.416 2.879 20 5 FFBDLO Cc1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)ccc1OCC[NH+](C)C ZINC000458222009 514640241 /nfs/dbraw/zinc/64/02/41/514640241.db2.gz UXUAUKUYOUJQCG-UHFFFAOYSA-N 1 2 359.382 2.802 20 5 FFBDLO COc1cc(C(=O)NCc2cn3ccc(C)cc3[nH+]2)cc([N+](=O)[O-])c1C ZINC000479630661 514663274 /nfs/dbraw/zinc/66/32/74/514663274.db2.gz ZUVBPQKGIZFIGM-UHFFFAOYSA-N 1 2 354.366 2.798 20 5 FFBDLO CC(C)Cc1ncc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)s1 ZINC000453574978 514696239 /nfs/dbraw/zinc/69/62/39/514696239.db2.gz JSPHNHWUJYIHCP-UHFFFAOYSA-N 1 2 361.471 2.967 20 5 FFBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cccc(OC(F)F)c2)CC1 ZINC000453582790 514701131 /nfs/dbraw/zinc/70/11/31/514701131.db2.gz XGNDBIYHULJUDD-UHFFFAOYSA-N 1 2 364.352 2.913 20 5 FFBDLO COC(=O)COc1ccc(C[N@H+](C)Cc2ccccc2F)cc1[N+](=O)[O-] ZINC000475569154 514718695 /nfs/dbraw/zinc/71/86/95/514718695.db2.gz GEXYXTMJEJJJQS-UHFFFAOYSA-N 1 2 362.357 2.918 20 5 FFBDLO COC(=O)COc1ccc(C[N@@H+](C)Cc2ccccc2F)cc1[N+](=O)[O-] ZINC000475569154 514718707 /nfs/dbraw/zinc/71/87/07/514718707.db2.gz GEXYXTMJEJJJQS-UHFFFAOYSA-N 1 2 362.357 2.918 20 5 FFBDLO Cc1c(CNC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cccc1[N+](=O)[O-] ZINC000480053435 514825158 /nfs/dbraw/zinc/82/51/58/514825158.db2.gz KEKZOOMKYXDDMM-INIZCTEOSA-N 1 2 356.382 2.661 20 5 FFBDLO CCN1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@H]1c1[nH]cc[nH+]1 ZINC000480701327 515051407 /nfs/dbraw/zinc/05/14/07/515051407.db2.gz UQKKYKIEHSSFKH-LBPRGKRZSA-N 1 2 370.335 2.615 20 5 FFBDLO C[C@H]1C[C@@H](NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c2[nH+]ccn21 ZINC000456364602 515131505 /nfs/dbraw/zinc/13/15/05/515131505.db2.gz FYGBTSFOKIJNEH-XHDPSFHLSA-N 1 2 366.381 2.628 20 5 FFBDLO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)c2[nH+]ccn21 ZINC000456393921 515152188 /nfs/dbraw/zinc/15/21/88/515152188.db2.gz RSVGFMFBIOKAES-PRHODGIISA-N 1 2 365.187 2.990 20 5 FFBDLO C[C@H]1C[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)c2[nH+]ccn21 ZINC000456400141 515159907 /nfs/dbraw/zinc/15/99/07/515159907.db2.gz DGDAGWBMMRLBFN-WCQYABFASA-N 1 2 367.365 2.541 20 5 FFBDLO CCc1ccc([C@H]([NH2+][C@@H](C)C(=O)NCCF)c2ccc([N+](=O)[O-])cc2)o1 ZINC000503906509 515164399 /nfs/dbraw/zinc/16/43/99/515164399.db2.gz ZUZDSHCSSYWIDO-YVEFUNNKSA-N 1 2 363.389 2.903 20 5 FFBDLO CCOc1cc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])cc1OC ZINC000499063118 515184623 /nfs/dbraw/zinc/18/46/23/515184623.db2.gz JCJNGKTTXVOFJC-UHFFFAOYSA-N 1 2 374.397 2.745 20 5 FFBDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H](C)O1 ZINC000485988460 515288349 /nfs/dbraw/zinc/28/83/49/515288349.db2.gz ICMDEGRCTMVJJH-CHWSQXEVSA-N 1 2 358.398 2.784 20 5 FFBDLO O=C(NC[C@H](CO)C1CCCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000509722662 515302050 /nfs/dbraw/zinc/30/20/50/515302050.db2.gz APXWWVVFKOTOPB-MRXNPFEDSA-N 1 2 372.425 2.699 20 5 FFBDLO Cc1nn(C)c(C(=O)Nc2c[nH+]c(N3CCCC[C@@H]3C)c(C)c2)c1[N+](=O)[O-] ZINC000504857232 515394151 /nfs/dbraw/zinc/39/41/51/515394151.db2.gz IZDGXMBOCGBZJT-LBPRGKRZSA-N 1 2 372.429 2.971 20 5 FFBDLO O=C(Nc1ccc([N+](=O)[O-])cc1)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000454355504 515427427 /nfs/dbraw/zinc/42/74/27/515427427.db2.gz XVSJNXDWQLYPKE-UHFFFAOYSA-N 1 2 374.397 2.554 20 5 FFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1cnn(CC[NH+]2CCOCC2)c1 ZINC000468594664 515428715 /nfs/dbraw/zinc/42/87/15/515428715.db2.gz GYIDCNGPWXVLAL-WJDWOHSUSA-N 1 2 371.441 2.639 20 5 FFBDLO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1(O)CCCC1 ZINC000456848586 515459105 /nfs/dbraw/zinc/45/91/05/515459105.db2.gz YAWVJUUFWCOFBM-UHFFFAOYSA-N 1 2 372.425 2.842 20 5 FFBDLO CCOc1cc([N+](=O)[O-])c(C(=O)NCc2c[nH+]c(C)cc2C)cc1OC ZINC000456863166 515465895 /nfs/dbraw/zinc/46/58/95/515465895.db2.gz QTVSRZDBTHQKDS-UHFFFAOYSA-N 1 2 359.382 2.944 20 5 FFBDLO COCC1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCCC1 ZINC000456873565 515470890 /nfs/dbraw/zinc/47/08/90/515470890.db2.gz YAUTVTZUCRUQAS-UHFFFAOYSA-N 1 2 358.398 2.717 20 5 FFBDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)CC2 ZINC000492851302 515570570 /nfs/dbraw/zinc/57/05/70/515570570.db2.gz JVKORDSZQVWQAB-UHFFFAOYSA-N 1 2 356.378 2.948 20 5 FFBDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)CC2 ZINC000492851302 515570579 /nfs/dbraw/zinc/57/05/79/515570579.db2.gz JVKORDSZQVWQAB-UHFFFAOYSA-N 1 2 356.378 2.948 20 5 FFBDLO COc1cc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)ccc1Cl ZINC000459506177 515602783 /nfs/dbraw/zinc/60/27/83/515602783.db2.gz JPPVJCOEGRMRJJ-UHFFFAOYSA-N 1 2 362.817 2.974 20 5 FFBDLO C[S@@](=O)c1ccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000505598596 515603448 /nfs/dbraw/zinc/60/34/48/515603448.db2.gz XMOMJLSCZMPCPX-RUZDIDTESA-N 1 2 359.451 2.654 20 5 FFBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)CCC2 ZINC000486907029 515680135 /nfs/dbraw/zinc/68/01/35/515680135.db2.gz BPFVNYQTNYKFOA-NSHDSACASA-N 1 2 364.352 2.614 20 5 FFBDLO Cc1noc([C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C2CCOCC2)n1 ZINC000486915292 515684445 /nfs/dbraw/zinc/68/44/45/515684445.db2.gz FDZLDKWXKPILIR-HNNXBMFYSA-N 1 2 350.350 2.683 20 5 FFBDLO CC(C)(C)CC[C@@H](CO)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000478591926 515884234 /nfs/dbraw/zinc/88/42/34/515884234.db2.gz IIIGTCLSLXIBCT-AWEZNQCLSA-N 1 2 360.414 2.698 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)Cc1cnccc1C ZINC000483020180 515886733 /nfs/dbraw/zinc/88/67/33/515886733.db2.gz VZHDGLXVGZCXEZ-CYBMUJFWSA-N 1 2 358.398 2.766 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1cnccc1C ZINC000483020180 515886741 /nfs/dbraw/zinc/88/67/41/515886741.db2.gz VZHDGLXVGZCXEZ-CYBMUJFWSA-N 1 2 358.398 2.766 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2ncn(Cc3[nH+]ccn3CC(F)(F)F)n2)cc1 ZINC000483150111 515953093 /nfs/dbraw/zinc/95/30/93/515953093.db2.gz JONNACKRLZWRMY-UHFFFAOYSA-N 1 2 352.276 2.660 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000494806930 515969845 /nfs/dbraw/zinc/96/98/45/515969845.db2.gz GDXJAEUKOURZCD-UHFFFAOYSA-N 1 2 361.423 2.623 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2ncn(Cc3[nH+]ccn3CC(F)(F)F)n2)c1 ZINC000483245498 516000612 /nfs/dbraw/zinc/00/06/12/516000612.db2.gz YIIMGGONVLEQRP-UHFFFAOYSA-N 1 2 352.276 2.660 20 5 FFBDLO Cc1ccc(Cn2cc([N+](=O)[O-])c(C)c(Br)c2=O)c(C)[nH+]1 ZINC000479172870 516088808 /nfs/dbraw/zinc/08/88/08/516088808.db2.gz VQPCEJAEMCQIKV-UHFFFAOYSA-N 1 2 352.188 2.888 20 5 FFBDLO C[C@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000535432036 516352878 /nfs/dbraw/zinc/35/28/78/516352878.db2.gz GEFGYLWAPRGSMW-WMLDXEAASA-N 1 2 357.414 2.627 20 5 FFBDLO C[C@H](O)C[C@H]1CCCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000561185682 516437020 /nfs/dbraw/zinc/43/70/20/516437020.db2.gz QTDJXQAHQZXYPX-GOEBONIOSA-N 1 2 372.425 2.936 20 5 FFBDLO Cn1cc[nH+]c1[C@H](CC(=O)NCc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000561333975 516528117 /nfs/dbraw/zinc/52/81/17/516528117.db2.gz SJGSNHUTAPJUIW-NSHDSACASA-N 1 2 356.304 2.681 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1Cc2ccccc2CO1 ZINC000557973766 516529530 /nfs/dbraw/zinc/52/95/30/516529530.db2.gz BYESXVWJHRTTEX-UHFFFAOYSA-N 1 2 350.334 2.868 20 5 FFBDLO O=C(NC1CC(C(F)(F)F)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000557987963 516536972 /nfs/dbraw/zinc/53/69/72/516536972.db2.gz OTLHAYKZUWHKSH-UHFFFAOYSA-N 1 2 354.288 2.851 20 5 FFBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1cccc(-n2cc[nH+]c2)c1 ZINC000523751755 516567173 /nfs/dbraw/zinc/56/71/73/516567173.db2.gz RFIOGVLHTWCEJD-UHFFFAOYSA-N 1 2 351.366 2.752 20 5 FFBDLO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000518333617 516617642 /nfs/dbraw/zinc/61/76/42/516617642.db2.gz PVWOQNFCRCKEBD-OAHLLOKOSA-N 1 2 359.386 2.634 20 5 FFBDLO COc1cc[nH+]cc1CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000558249993 516665130 /nfs/dbraw/zinc/66/51/30/516665130.db2.gz SGQBYKAEYQMWMX-UHFFFAOYSA-N 1 2 355.272 2.947 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000540746821 516695259 /nfs/dbraw/zinc/69/52/59/516695259.db2.gz CEQCDSYBADMBEA-OAHLLOKOSA-N 1 2 359.430 2.605 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NCc1cn2ccsc2n1)c1ccc([N+](=O)[O-])cc1 ZINC000513667174 516712745 /nfs/dbraw/zinc/71/27/45/516712745.db2.gz PUCLFAVVJANGIL-OAHLLOKOSA-N 1 2 368.422 2.917 20 5 FFBDLO CCc1ccc([C@H]([NH2+]C[C@@H](C)S(C)(=O)=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544381133 516732497 /nfs/dbraw/zinc/73/24/97/516732497.db2.gz IKPCIRHQYIDGLY-SJKOYZFVSA-N 1 2 366.439 2.862 20 5 FFBDLO C[C@H](O)CN1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H](C)C1 ZINC000551583040 516772709 /nfs/dbraw/zinc/77/27/09/516772709.db2.gz JEKBYPQWYZFOPG-CABCVRRESA-N 1 2 359.426 2.742 20 5 FFBDLO C[C@H](O)CN1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H](C)C1 ZINC000551583040 516772714 /nfs/dbraw/zinc/77/27/14/516772714.db2.gz JEKBYPQWYZFOPG-CABCVRRESA-N 1 2 359.426 2.742 20 5 FFBDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000532134116 516817061 /nfs/dbraw/zinc/81/70/61/516817061.db2.gz XZXAFRNDKVERLR-ZIAGYGMSSA-N 1 2 370.409 2.851 20 5 FFBDLO CCOC(=O)c1cc(C(=O)Nc2cccc3[nH+]ccn32)cc([N+](=O)[O-])c1 ZINC000525104402 516917727 /nfs/dbraw/zinc/91/77/27/516917727.db2.gz APZQIMWEOSYGRK-UHFFFAOYSA-N 1 2 354.322 2.672 20 5 FFBDLO Cc1ccc2[nH+]c(CNc3ccc([N+](=O)[O-])cc3S(C)(=O)=O)cn2c1 ZINC000519492554 517015013 /nfs/dbraw/zinc/01/50/13/517015013.db2.gz NUEDXAIEQLIOOF-UHFFFAOYSA-N 1 2 360.395 2.567 20 5 FFBDLO Cn1ccnc1C(=O)c1ccc(NCCCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000537090011 517033464 /nfs/dbraw/zinc/03/34/64/517033464.db2.gz HCLISTBSIDPUBW-UHFFFAOYSA-N 1 2 368.397 2.648 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]Cc1ccc(CO)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000552046362 517049188 /nfs/dbraw/zinc/04/91/88/517049188.db2.gz FWNPMVUAVOMKSO-SFHVURJKSA-N 1 2 370.384 2.839 20 5 FFBDLO CC(C)([NH2+]Cc1nnnn1Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000515276181 517277740 /nfs/dbraw/zinc/27/77/40/517277740.db2.gz KWRVTZKNXDCFEI-UHFFFAOYSA-N 1 2 352.398 2.655 20 5 FFBDLO O=[N+]([O-])c1ccccc1NCCc1noc(Cc2cn3ccccc3[nH+]2)n1 ZINC000545671877 517326576 /nfs/dbraw/zinc/32/65/76/517326576.db2.gz MOFOYMZUPDMZTC-UHFFFAOYSA-N 1 2 364.365 2.871 20 5 FFBDLO Cc1cc(C)nc(N2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000542177623 517422143 /nfs/dbraw/zinc/42/21/43/517422143.db2.gz REBGJUSZHPZFOI-ALCCZGGFSA-N 1 2 353.426 2.837 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(OC(C)C)CC1 ZINC000533475456 517481312 /nfs/dbraw/zinc/48/13/12/517481312.db2.gz MJKFRNWBMJSLRO-ZDUSSCGKSA-N 1 2 365.430 2.820 20 5 FFBDLO Cc1cc(NC[C@H](C)[NH+]2CCN(C)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549486627 517587177 /nfs/dbraw/zinc/58/71/77/517587177.db2.gz BDMNBYDTKINOAX-LBPRGKRZSA-N 1 2 360.380 2.970 20 5 FFBDLO Cc1cc(CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)nc(C)n1 ZINC000553255207 517605660 /nfs/dbraw/zinc/60/56/60/517605660.db2.gz SLPHHNFRHLYPGM-UHFFFAOYSA-N 1 2 350.382 2.801 20 5 FFBDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1c[nH]nc1[N+](=O)[O-] ZINC000549762948 517694351 /nfs/dbraw/zinc/69/43/51/517694351.db2.gz BBLHJUVPWNBQJF-UHFFFAOYSA-N 1 2 352.354 2.770 20 5 FFBDLO O=C1CCCN1C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000549928244 517788529 /nfs/dbraw/zinc/78/85/29/517788529.db2.gz LITSZCPIGYNGRI-KRWDZBQOSA-N 1 2 355.394 2.754 20 5 FFBDLO C[C@@H]1COc2ccccc2C[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000542941887 517828329 /nfs/dbraw/zinc/82/83/29/517828329.db2.gz HOMMZTOHNGNVMK-CQSZACIVSA-N 1 2 367.405 2.767 20 5 FFBDLO C[C@@H]1COc2ccccc2C[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000542941887 517828335 /nfs/dbraw/zinc/82/83/35/517828335.db2.gz HOMMZTOHNGNVMK-CQSZACIVSA-N 1 2 367.405 2.767 20 5 FFBDLO Cc1cc(C2CC[NH+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])CC2)[nH]n1 ZINC000542981136 517851808 /nfs/dbraw/zinc/85/18/08/517851808.db2.gz NBWVKQXQHFAKBN-UHFFFAOYSA-N 1 2 357.414 2.753 20 5 FFBDLO Cc1cc(C2CC[NH+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000542981136 517851820 /nfs/dbraw/zinc/85/18/20/517851820.db2.gz NBWVKQXQHFAKBN-UHFFFAOYSA-N 1 2 357.414 2.753 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000553889283 517953517 /nfs/dbraw/zinc/95/35/17/517953517.db2.gz RNCSPAYXEKKPEE-KRWDZBQOSA-N 1 2 361.423 2.601 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000553889283 517953524 /nfs/dbraw/zinc/95/35/24/517953524.db2.gz RNCSPAYXEKKPEE-KRWDZBQOSA-N 1 2 361.423 2.601 20 5 FFBDLO Cc1ccc(S(=O)(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000522375511 518090425 /nfs/dbraw/zinc/09/04/25/518090425.db2.gz YXQUTPXIGDJJOP-UHFFFAOYSA-N 1 2 372.406 2.567 20 5 FFBDLO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(Cl)cc1 ZINC000531080338 518128807 /nfs/dbraw/zinc/12/88/07/518128807.db2.gz YWJGTSOWDJZJNW-HNNXBMFYSA-N 1 2 363.801 2.987 20 5 FFBDLO C[N@H+]1Cc2ccccc2[C@H](Nc2c(Br)cncc2[N+](=O)[O-])C1 ZINC000535036156 518130238 /nfs/dbraw/zinc/13/02/38/518130238.db2.gz XOLJODIRSMZSNB-CYBMUJFWSA-N 1 2 363.215 2.773 20 5 FFBDLO C[N@@H+]1Cc2ccccc2[C@H](Nc2c(Br)cncc2[N+](=O)[O-])C1 ZINC000535036156 518130250 /nfs/dbraw/zinc/13/02/50/518130250.db2.gz XOLJODIRSMZSNB-CYBMUJFWSA-N 1 2 363.215 2.773 20 5 FFBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2C[N@H+](C)CCN2C)no1 ZINC000564247427 518368334 /nfs/dbraw/zinc/36/83/34/518368334.db2.gz WYZICCVRFWTHOB-HOCLYGCPSA-N 1 2 359.430 2.632 20 5 FFBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2C[N@@H+](C)CCN2C)no1 ZINC000564247427 518368338 /nfs/dbraw/zinc/36/83/38/518368338.db2.gz WYZICCVRFWTHOB-HOCLYGCPSA-N 1 2 359.430 2.632 20 5 FFBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c[nH+]ccc1-n1ccnn1 ZINC000570317319 518547071 /nfs/dbraw/zinc/54/70/71/518547071.db2.gz YMSVCAGBUXQTGS-LLVKDONJSA-N 1 2 370.394 2.690 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCc2cccc(-n3cc[nH+]c3)c2)n1 ZINC000587979756 518691293 /nfs/dbraw/zinc/69/12/93/518691293.db2.gz DAWKYPJSLHXJIH-UHFFFAOYSA-N 1 2 353.338 2.574 20 5 FFBDLO CCC[C@@H](C)C(=O)NCC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000579620103 518769339 /nfs/dbraw/zinc/76/93/39/518769339.db2.gz SKHAPOPUVHAPOT-RHSMWYFYSA-N 1 2 373.457 2.560 20 5 FFBDLO O=C(Nc1ccn2cc[nH+]c2c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000573731498 518809183 /nfs/dbraw/zinc/80/91/83/518809183.db2.gz GUYXNJGGILTNLN-UHFFFAOYSA-N 1 2 366.381 2.597 20 5 FFBDLO O=C(c1cccc([N+](=O)[O-])c1)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000588845462 518847466 /nfs/dbraw/zinc/84/74/66/518847466.db2.gz FMPLQTLYRMGOLT-UHFFFAOYSA-N 1 2 360.439 2.829 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCCc1nccs1 ZINC000571133196 518938790 /nfs/dbraw/zinc/93/87/90/518938790.db2.gz LUQAIGAZQPPEJR-UHFFFAOYSA-N 1 2 362.455 2.928 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1 ZINC000589521273 519023338 /nfs/dbraw/zinc/02/33/38/519023338.db2.gz PABYLVBNTBMYNI-IAGOWNOFSA-N 1 2 360.410 2.915 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1 ZINC000589521273 519023346 /nfs/dbraw/zinc/02/33/46/519023346.db2.gz PABYLVBNTBMYNI-IAGOWNOFSA-N 1 2 360.410 2.915 20 5 FFBDLO Cc1cc(OCC(=O)Nc2ccc3[nH]c(N(C)C)[nH+]c3c2)ccc1[N+](=O)[O-] ZINC000583157310 519105138 /nfs/dbraw/zinc/10/51/38/519105138.db2.gz SJDGKAFWSVIOPR-UHFFFAOYSA-N 1 2 369.381 2.863 20 5 FFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC[C@@]4(CCS(=O)(=O)C4)C3)c2c1 ZINC000577719218 519221436 /nfs/dbraw/zinc/22/14/36/519221436.db2.gz PVDWGGKUNBUTRK-QGZVFWFLSA-N 1 2 361.423 2.548 20 5 FFBDLO CCN1C(=O)N=NC1C1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000591162126 519533892 /nfs/dbraw/zinc/53/38/92/519533892.db2.gz JGVADECWWWLEHB-UHFFFAOYSA-N 1 2 368.397 2.844 20 5 FFBDLO CCc1nn(C)c(Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)c1[N+](=O)[O-] ZINC000578357887 519552774 /nfs/dbraw/zinc/55/27/74/519552774.db2.gz TUJYXYMYYSXVCR-RYUDHWBXSA-N 1 2 360.418 2.643 20 5 FFBDLO CO[C@H](C)c1nc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)cs1 ZINC000602966142 519997579 /nfs/dbraw/zinc/99/75/79/519997579.db2.gz YEHUOQPVYBJXDT-BDJLRTHQSA-N 1 2 351.428 2.756 20 5 FFBDLO COC(=O)c1cc(C2CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)no1 ZINC000603001018 520015631 /nfs/dbraw/zinc/01/56/31/520015631.db2.gz XDDYPJJFYIDAGB-UHFFFAOYSA-N 1 2 363.345 2.888 20 5 FFBDLO CC[C@@H](C)C[C@@H](CO)Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000591983675 520120872 /nfs/dbraw/zinc/12/08/72/520120872.db2.gz WQBLGHIWNDPBIN-ZBFHGGJFSA-N 1 2 351.447 2.636 20 5 FFBDLO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000612778455 520139673 /nfs/dbraw/zinc/13/96/73/520139673.db2.gz UFMAKBRJWRLWNK-GFCCVEGCSA-N 1 2 370.438 2.878 20 5 FFBDLO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000600230076 520140292 /nfs/dbraw/zinc/14/02/92/520140292.db2.gz ZBWYDDPDQLPYNF-CQSZACIVSA-N 1 2 357.414 2.608 20 5 FFBDLO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000600230076 520140300 /nfs/dbraw/zinc/14/03/00/520140300.db2.gz ZBWYDDPDQLPYNF-CQSZACIVSA-N 1 2 357.414 2.608 20 5 FFBDLO O=C(NC1CC1)[C@@H]1Cc2ccccc2C[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000592141564 520216147 /nfs/dbraw/zinc/21/61/47/520216147.db2.gz IUWHQCYQRSVGPK-IBGZPJMESA-N 1 2 351.406 2.800 20 5 FFBDLO O=C(NC1CC1)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000592141564 520216154 /nfs/dbraw/zinc/21/61/54/520216154.db2.gz IUWHQCYQRSVGPK-IBGZPJMESA-N 1 2 351.406 2.800 20 5 FFBDLO C[C@@H]1CCCN(c2ccc(C(=O)N(C)Cc3c[nH+]c[nH]3)cc2[N+](=O)[O-])C1 ZINC000597864113 520290668 /nfs/dbraw/zinc/29/06/68/520290668.db2.gz NHILZUYZWWFKTE-CYBMUJFWSA-N 1 2 357.414 2.826 20 5 FFBDLO C[C@@H]1CCCN(c2ccc(C(=O)N(C)Cc3c[nH]c[nH+]3)cc2[N+](=O)[O-])C1 ZINC000597864113 520290675 /nfs/dbraw/zinc/29/06/75/520290675.db2.gz NHILZUYZWWFKTE-CYBMUJFWSA-N 1 2 357.414 2.826 20 5 FFBDLO C[C@@](CO)([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccc1 ZINC000609483974 520326419 /nfs/dbraw/zinc/32/64/19/520326419.db2.gz XXWXDRPOSMAVHH-SFHVURJKSA-N 1 2 354.366 2.642 20 5 FFBDLO CC[C@@H](COCC1CC1)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000597924884 520326569 /nfs/dbraw/zinc/32/65/69/520326569.db2.gz UIXBUXVCFDZZLG-HNNXBMFYSA-N 1 2 358.398 2.716 20 5 FFBDLO CCOc1cc(C(=O)Nc2ccc3[nH+]ccn3c2)c([N+](=O)[O-])cc1OC ZINC000609618919 520380992 /nfs/dbraw/zinc/38/09/92/520380992.db2.gz DJQGVAFQLYYQEY-UHFFFAOYSA-N 1 2 356.338 2.902 20 5 FFBDLO CCN(CC)c1ccc(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)c[nH+]1 ZINC000603903636 520398285 /nfs/dbraw/zinc/39/82/85/520398285.db2.gz KKQHCBDRECMHJR-UHFFFAOYSA-N 1 2 368.397 2.642 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000617365588 520457381 /nfs/dbraw/zinc/45/73/81/520457381.db2.gz KUOQAJBOHZNWFT-KRWDZBQOSA-N 1 2 366.377 2.856 20 5 FFBDLO COc1cc(C[NH+]2CCN(c3nccc(C(C)C)n3)CC2)ccc1[N+](=O)[O-] ZINC000613498197 520529678 /nfs/dbraw/zinc/52/96/78/520529678.db2.gz NCKWDHSRXMMTSE-UHFFFAOYSA-N 1 2 371.441 2.839 20 5 FFBDLO Cc1cccc2[nH+]c(CCNC(=O)CCc3cccc([N+](=O)[O-])c3)cn21 ZINC000592746291 520555990 /nfs/dbraw/zinc/55/59/90/520555990.db2.gz TYBBZPYWCFLWRP-UHFFFAOYSA-N 1 2 352.394 2.842 20 5 FFBDLO C[C@H]1COC2(CCCC2)CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000598356276 520573181 /nfs/dbraw/zinc/57/31/81/520573181.db2.gz ZYOLRJFLVSWBMR-AWEZNQCLSA-N 1 2 370.409 2.954 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH+]2CCC(c3ccco3)CC2)cc1 ZINC000595615427 520595362 /nfs/dbraw/zinc/59/53/62/520595362.db2.gz MOGBJCKTPDGECE-UHFFFAOYSA-N 1 2 364.423 2.841 20 5 FFBDLO Cc1c(Br)cc(C(=O)N[C@@H](C)c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000598466125 520630296 /nfs/dbraw/zinc/63/02/96/520630296.db2.gz YCMXOIORBRUXDR-VIFPVBQESA-N 1 2 367.203 2.890 20 5 FFBDLO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCc1ccc[nH+]c1N1CCCC1 ZINC000601190761 520679562 /nfs/dbraw/zinc/67/95/62/520679562.db2.gz DSDQLZRXALZHFU-UHFFFAOYSA-N 1 2 370.335 2.954 20 5 FFBDLO COC(=O)c1ccnc(N2CCC(CCCn3cc[nH+]c3)CC2)c1[N+](=O)[O-] ZINC000598610175 520740201 /nfs/dbraw/zinc/74/02/01/520740201.db2.gz FFNQHVSILGVFOZ-UHFFFAOYSA-N 1 2 373.413 2.670 20 5 FFBDLO O=C(CC[N@@H+]1CCO[C@H](CC(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595886903 520793771 /nfs/dbraw/zinc/79/37/71/520793771.db2.gz PGLOHXQQEJYAOP-CYBMUJFWSA-N 1 2 361.320 2.577 20 5 FFBDLO O=C(CC[N@H+]1CCO[C@H](CC(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595886903 520793780 /nfs/dbraw/zinc/79/37/80/520793780.db2.gz PGLOHXQQEJYAOP-CYBMUJFWSA-N 1 2 361.320 2.577 20 5 FFBDLO CCOc1ccc(N2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)nn1 ZINC000595892509 520798732 /nfs/dbraw/zinc/79/87/32/520798732.db2.gz RHILMCYPIRANOL-AWEZNQCLSA-N 1 2 357.414 2.667 20 5 FFBDLO O=[N+]([O-])c1cc2c(cc1C[NH2+]Cc1ccc3c(n1)CCCC3)OCCO2 ZINC000618197850 520930299 /nfs/dbraw/zinc/93/02/99/520930299.db2.gz JCTSKXIYKORGOP-UHFFFAOYSA-N 1 2 355.394 2.930 20 5 FFBDLO C[C@H]1C(=O)Nc2ccccc2C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000598951118 520938196 /nfs/dbraw/zinc/93/81/96/520938196.db2.gz ZIKGCDGPTYFUGB-ZDUSSCGKSA-N 1 2 368.393 2.766 20 5 FFBDLO C[C@H]1C(=O)Nc2ccccc2C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000598951118 520938202 /nfs/dbraw/zinc/93/82/02/520938202.db2.gz ZIKGCDGPTYFUGB-ZDUSSCGKSA-N 1 2 368.393 2.766 20 5 FFBDLO Cc1c(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cccc1[N+](=O)[O-] ZINC000601850963 520986992 /nfs/dbraw/zinc/98/69/92/520986992.db2.gz JCNSBUSMJPIYEE-UHFFFAOYSA-N 1 2 372.450 2.781 20 5 FFBDLO Cc1cc(NCc2ncc3c(n2)CCC3)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596265001 521001264 /nfs/dbraw/zinc/00/12/64/521001264.db2.gz OSCRHJVAUNPWJL-UHFFFAOYSA-N 1 2 362.393 2.673 20 5 FFBDLO Cn1nc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c2ccccc21 ZINC000611252101 521058505 /nfs/dbraw/zinc/05/85/05/521058505.db2.gz QZJHUOULYJADNB-UHFFFAOYSA-N 1 2 351.410 2.804 20 5 FFBDLO COCC[N@H+](Cc1ccc(C)o1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611274478 521075978 /nfs/dbraw/zinc/07/59/78/521075978.db2.gz WWINXYILUVHHKU-UHFFFAOYSA-N 1 2 362.382 2.916 20 5 FFBDLO COCC[N@@H+](Cc1ccc(C)o1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611274478 521075986 /nfs/dbraw/zinc/07/59/86/521075986.db2.gz WWINXYILUVHHKU-UHFFFAOYSA-N 1 2 362.382 2.916 20 5 FFBDLO Cn1nccc1[C@H]1c2[nH]c[nH+]c2CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599444084 521229799 /nfs/dbraw/zinc/22/97/99/521229799.db2.gz GSWRZKHTIVKHCJ-KRWDZBQOSA-N 1 2 372.816 2.853 20 5 FFBDLO CCOc1ccc(NC(=O)C[NH+]2CCC(CCOC)CC2)c([N+](=O)[O-])c1 ZINC000599507477 521266754 /nfs/dbraw/zinc/26/67/54/521266754.db2.gz WNVBBAXZPJFWDR-UHFFFAOYSA-N 1 2 365.430 2.681 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@H]4CC[C@@H](C3)[S@]4=O)co2)cc1 ZINC000599633294 521344225 /nfs/dbraw/zinc/34/42/25/521344225.db2.gz IWNAQQCTKFZDDB-TWKFVSLJSA-N 1 2 361.423 2.735 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@H]4CC[C@@H](C3)[S@]4=O)co2)cc1 ZINC000599633294 521344235 /nfs/dbraw/zinc/34/42/35/521344235.db2.gz IWNAQQCTKFZDDB-TWKFVSLJSA-N 1 2 361.423 2.735 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C(C)(C)C(=O)OC(C)(C)C ZINC000599651039 521361013 /nfs/dbraw/zinc/36/10/13/521361013.db2.gz XLQDVIOFZKPBOD-UHFFFAOYSA-N 1 2 365.430 2.942 20 5 FFBDLO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000599689684 521405729 /nfs/dbraw/zinc/40/57/29/521405729.db2.gz SGKRDPSJTZZNDZ-BTTYYORXSA-N 1 2 363.414 2.504 20 5 FFBDLO COC(=O)[C@@H]1C[C@@H](C)[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000599689684 521405737 /nfs/dbraw/zinc/40/57/37/521405737.db2.gz SGKRDPSJTZZNDZ-BTTYYORXSA-N 1 2 363.414 2.504 20 5 FFBDLO CCc1nnc([C@H](C)[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)[nH]1 ZINC000602577047 521418723 /nfs/dbraw/zinc/41/87/23/521418723.db2.gz FRBMFYPRKFSFRS-LURJTMIESA-N 1 2 360.237 2.950 20 5 FFBDLO CC(C)OC[C@H](CO)[N@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602669117 521470764 /nfs/dbraw/zinc/47/07/64/521470764.db2.gz XYZHEGGYAASFNR-VIFPVBQESA-N 1 2 367.265 2.637 20 5 FFBDLO CC(C)OC[C@H](CO)[N@@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602669117 521470767 /nfs/dbraw/zinc/47/07/67/521470767.db2.gz XYZHEGGYAASFNR-VIFPVBQESA-N 1 2 367.265 2.637 20 5 FFBDLO COC(=O)[C@](C)(NCc1c[nH+]c2c(C)cccn12)c1cccc([N+](=O)[O-])c1 ZINC000602737375 521506168 /nfs/dbraw/zinc/50/61/68/521506168.db2.gz WTIAWOKWMZMMFK-LJQANCHMSA-N 1 2 368.393 2.729 20 5 FFBDLO COC[C@@]1(C(=O)OC)CCC[N@@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000597220046 521582270 /nfs/dbraw/zinc/58/22/70/521582270.db2.gz IINBSIHVIPWJQI-GOSISDBHSA-N 1 2 350.415 2.872 20 5 FFBDLO COC[C@@]1(C(=O)OC)CCC[N@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000597220046 521582271 /nfs/dbraw/zinc/58/22/71/521582271.db2.gz IINBSIHVIPWJQI-GOSISDBHSA-N 1 2 350.415 2.872 20 5 FFBDLO Cc1cc(N2CC[NH+]([C@H]3CCOC3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000616062199 521613153 /nfs/dbraw/zinc/61/31/53/521613153.db2.gz PMSHCYALPQOMNX-LBPRGKRZSA-N 1 2 370.247 2.577 20 5 FFBDLO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000619778292 521867502 /nfs/dbraw/zinc/86/75/02/521867502.db2.gz RGDJHLXPLPCMMI-INIZCTEOSA-N 1 2 374.828 2.833 20 5 FFBDLO O=C(N[C@H]1CCC[N@H+](CCF)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000898494052 735369515 /nfs/dbraw/zinc/36/95/15/735369515.db2.gz DPYDTZZWYPVJOM-NSHDSACASA-N 1 2 374.210 2.521 20 5 FFBDLO O=C(N[C@H]1CCC[N@@H+](CCF)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000898494052 735369519 /nfs/dbraw/zinc/36/95/19/735369519.db2.gz DPYDTZZWYPVJOM-NSHDSACASA-N 1 2 374.210 2.521 20 5 FFBDLO COc1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)n2cc[nH+]c2)cc1SC ZINC000898902712 735421257 /nfs/dbraw/zinc/42/12/57/735421257.db2.gz RNRYBSKPSMCEHM-UHFFFAOYSA-N 1 2 364.427 2.687 20 5 FFBDLO CCC1(CO)CC[NH+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000128378359 728708610 /nfs/dbraw/zinc/70/86/10/728708610.db2.gz RODVGZDQQKALHX-UHFFFAOYSA-N 1 2 355.822 2.671 20 5 FFBDLO C[N@@H+]1CCc2nc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])sc2C1 ZINC000192774742 729458813 /nfs/dbraw/zinc/45/88/13/729458813.db2.gz YYYHYYKYYGCGSA-UHFFFAOYSA-N 1 2 352.803 2.945 20 5 FFBDLO C[N@H+]1CCc2nc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])sc2C1 ZINC000192774742 729458814 /nfs/dbraw/zinc/45/88/14/729458814.db2.gz YYYHYYKYYGCGSA-UHFFFAOYSA-N 1 2 352.803 2.945 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000856792410 730357896 /nfs/dbraw/zinc/35/78/96/730357896.db2.gz RFOKMNQOJBNWIK-UTUOFQBUSA-N 1 2 355.822 2.526 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000856792410 730357899 /nfs/dbraw/zinc/35/78/99/730357899.db2.gz RFOKMNQOJBNWIK-UTUOFQBUSA-N 1 2 355.822 2.526 20 5 FFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000856792411 730357973 /nfs/dbraw/zinc/35/79/73/730357973.db2.gz RFOKMNQOJBNWIK-WOPDTQHZSA-N 1 2 355.822 2.526 20 5 FFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000856792411 730357976 /nfs/dbraw/zinc/35/79/76/730357976.db2.gz RFOKMNQOJBNWIK-WOPDTQHZSA-N 1 2 355.822 2.526 20 5 FFBDLO CON(C)C(=O)[C@H](CCSC)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872048423 731723949 /nfs/dbraw/zinc/72/39/49/731723949.db2.gz ITGGUNIYISNCFM-JQWIXIFHSA-N 1 2 359.423 2.526 20 5 FFBDLO CC[C@]1(O)CCC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000879309754 732682025 /nfs/dbraw/zinc/68/20/25/732682025.db2.gz BBZVLWCJUNKHBM-BZNIZROVSA-N 1 2 355.822 2.812 20 5 FFBDLO CC[C@]1(O)CCC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000879309754 732682027 /nfs/dbraw/zinc/68/20/27/732682027.db2.gz BBZVLWCJUNKHBM-BZNIZROVSA-N 1 2 355.822 2.812 20 5 FFBDLO C[N@H+](Cc1cccnc1[N+](=O)[O-])[C@@H](CO)c1cccc(Br)c1 ZINC000886100490 733748740 /nfs/dbraw/zinc/74/87/40/733748740.db2.gz OVXPLTCKXQFHQC-AWEZNQCLSA-N 1 2 366.215 2.918 20 5 FFBDLO C[N@@H+](Cc1cccnc1[N+](=O)[O-])[C@@H](CO)c1cccc(Br)c1 ZINC000886100490 733748744 /nfs/dbraw/zinc/74/87/44/733748744.db2.gz OVXPLTCKXQFHQC-AWEZNQCLSA-N 1 2 366.215 2.918 20 5 FFBDLO C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000783566607 738815273 /nfs/dbraw/zinc/81/52/73/738815273.db2.gz IRNOACHZXQQMOE-LBPRGKRZSA-N 1 2 365.739 2.843 20 5 FFBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000783566607 738815275 /nfs/dbraw/zinc/81/52/75/738815275.db2.gz IRNOACHZXQQMOE-LBPRGKRZSA-N 1 2 365.739 2.843 20 5 FFBDLO CC(C)Oc1nc(NCc2nc(C[NH+](C)C)cs2)ccc1[N+](=O)[O-] ZINC000895481546 735013110 /nfs/dbraw/zinc/01/31/10/735013110.db2.gz XAVZIXAXHAXHPO-UHFFFAOYSA-N 1 2 351.432 2.907 20 5 FFBDLO COc1c(O)ccc(C[N@@H+]2CC[C@H](C(F)(F)F)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000895939040 735077048 /nfs/dbraw/zinc/07/70/48/735077048.db2.gz HPOVLVBVOCYHIL-BXKDBHETSA-N 1 2 364.320 2.851 20 5 FFBDLO COc1c(O)ccc(C[N@H+]2CC[C@H](C(F)(F)F)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000895939040 735077051 /nfs/dbraw/zinc/07/70/51/735077051.db2.gz HPOVLVBVOCYHIL-BXKDBHETSA-N 1 2 364.320 2.851 20 5 FFBDLO CCn1c[nH+]c2c1CCN(c1ncc([N+](=O)[O-])c(C)c1Br)C2 ZINC000896660231 735178658 /nfs/dbraw/zinc/17/86/58/735178658.db2.gz LNQFQJNGNLNUBG-UHFFFAOYSA-N 1 2 366.219 2.840 20 5 FFBDLO O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000764298301 737009413 /nfs/dbraw/zinc/00/94/13/737009413.db2.gz KZACXQAECWPPGS-LSDHHAIUSA-N 1 2 367.833 2.621 20 5 FFBDLO O=C(Cc1cn2c([nH+]1)CCCC2)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913386704 737397398 /nfs/dbraw/zinc/39/73/98/737397398.db2.gz YWQPLXDAYNLYNC-UHFFFAOYSA-N 1 2 366.780 2.779 20 5 FFBDLO C[N@H+](CCOc1ccc(Br)cc1)Cn1cc([N+](=O)[O-])cn1 ZINC000914565221 737583715 /nfs/dbraw/zinc/58/37/15/737583715.db2.gz KLRWZAHSIWTGRO-UHFFFAOYSA-N 1 2 355.192 2.522 20 5 FFBDLO C[N@@H+](CCOc1ccc(Br)cc1)Cn1cc([N+](=O)[O-])cn1 ZINC000914565221 737583721 /nfs/dbraw/zinc/58/37/21/737583721.db2.gz KLRWZAHSIWTGRO-UHFFFAOYSA-N 1 2 355.192 2.522 20 5 FFBDLO Cc1cc(Cl)c(S(=O)(=O)NCCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000775577620 738102967 /nfs/dbraw/zinc/10/29/67/738102967.db2.gz BDJPYJVLGDOXOC-UHFFFAOYSA-N 1 2 372.834 2.512 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2cnn(C[NH+]3CCC(O)(C(F)F)CC3)c2)cc1 ZINC000777571576 738301609 /nfs/dbraw/zinc/30/16/09/738301609.db2.gz XSADTQNKCYIGPV-UHFFFAOYSA-N 1 2 352.341 2.508 20 5 FFBDLO O=[N+]([O-])c1ccccc1OS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000777816653 738323003 /nfs/dbraw/zinc/32/30/03/738323003.db2.gz ZMPOLTYSNRNUJG-UHFFFAOYSA-N 1 2 359.363 2.607 20 5 FFBDLO O=[N+]([O-])c1cccc(Br)c1C[N@@H+](CCOCCO)C1CCC1 ZINC000930925860 739186963 /nfs/dbraw/zinc/18/69/63/739186963.db2.gz ZWSFCOWKKFWWQS-UHFFFAOYSA-N 1 2 373.247 2.721 20 5 FFBDLO O=[N+]([O-])c1cccc(Br)c1C[N@H+](CCOCCO)C1CCC1 ZINC000930925860 739186965 /nfs/dbraw/zinc/18/69/65/739186965.db2.gz ZWSFCOWKKFWWQS-UHFFFAOYSA-N 1 2 373.247 2.721 20 5 FFBDLO COc1c(C)[nH]cc(C[N@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])c1=O ZINC000931325174 739245836 /nfs/dbraw/zinc/24/58/36/739245836.db2.gz IVGVRCMSUPWNLN-UHFFFAOYSA-N 1 2 351.790 2.886 20 5 FFBDLO COc1c(C)[nH]cc(C[N@@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])c1=O ZINC000931325174 739245840 /nfs/dbraw/zinc/24/58/40/739245840.db2.gz IVGVRCMSUPWNLN-UHFFFAOYSA-N 1 2 351.790 2.886 20 5 FFBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2c2cncc(Br)c2)n1 ZINC000932252221 739415922 /nfs/dbraw/zinc/41/59/22/739415922.db2.gz ZYGJIJIHNQCLTN-ZDUSSCGKSA-N 1 2 366.219 2.786 20 5 FFBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]2c2cncc(Br)c2)n1 ZINC000932252221 739415935 /nfs/dbraw/zinc/41/59/35/739415935.db2.gz ZYGJIJIHNQCLTN-ZDUSSCGKSA-N 1 2 366.219 2.786 20 5 FFBDLO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NCCCCn1cc[nH+]c1 ZINC000932717498 739502766 /nfs/dbraw/zinc/50/27/66/739502766.db2.gz RCNCHMQTBJNZPL-UHFFFAOYSA-N 1 2 350.806 2.974 20 5 FFBDLO COCCO[C@H]1CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000801525061 740627513 /nfs/dbraw/zinc/62/75/13/740627513.db2.gz DQBUOLROHORBDQ-ZDUSSCGKSA-N 1 2 373.247 2.985 20 5 FFBDLO COCCO[C@H]1CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000801525061 740627515 /nfs/dbraw/zinc/62/75/15/740627515.db2.gz DQBUOLROHORBDQ-ZDUSSCGKSA-N 1 2 373.247 2.985 20 5 FFBDLO O=[N+]([O-])c1ccc(Cl)cc1NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000804371490 740865491 /nfs/dbraw/zinc/86/54/91/740865491.db2.gz AATALTCQODOCOF-HNNXBMFYSA-N 1 2 357.863 2.868 20 5 FFBDLO O=C(NC1CC1)OC[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000810038972 741374778 /nfs/dbraw/zinc/37/47/78/741374778.db2.gz MDNSNJMDEMMSSU-HNNXBMFYSA-N 1 2 351.378 2.977 20 5 FFBDLO O=C(NC1CC1)OC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000810038972 741374780 /nfs/dbraw/zinc/37/47/80/741374780.db2.gz MDNSNJMDEMMSSU-HNNXBMFYSA-N 1 2 351.378 2.977 20 5 FFBDLO CC(C)[C@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CCCO1 ZINC000815318399 741924942 /nfs/dbraw/zinc/92/49/42/741924942.db2.gz NUJQSEFUVBDSBC-OAHLLOKOSA-N 1 2 355.822 2.934 20 5 FFBDLO CC(C)[C@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CCCO1 ZINC000815318399 741924944 /nfs/dbraw/zinc/92/49/44/741924944.db2.gz NUJQSEFUVBDSBC-OAHLLOKOSA-N 1 2 355.822 2.934 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000830498333 745370651 /nfs/dbraw/zinc/37/06/51/745370651.db2.gz IVQGKCYQJARMDR-OAHLLOKOSA-N 1 2 351.403 2.655 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000830498333 745370655 /nfs/dbraw/zinc/37/06/55/745370655.db2.gz IVQGKCYQJARMDR-OAHLLOKOSA-N 1 2 351.403 2.655 20 5 FFBDLO O=C(CCc1c[nH]c[nH+]1)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000839866873 746946923 /nfs/dbraw/zinc/94/69/23/746946923.db2.gz FJQMHEUDIKJBOA-ZDUSSCGKSA-N 1 2 360.267 2.809 20 5 FFBDLO O=C(CCc1c[nH+]c[nH]1)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000839866873 746946927 /nfs/dbraw/zinc/94/69/27/746946927.db2.gz FJQMHEUDIKJBOA-ZDUSSCGKSA-N 1 2 360.267 2.809 20 5 FFBDLO O=C1C[C@H](C(F)F)CN1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000840128329 747012763 /nfs/dbraw/zinc/01/27/63/747012763.db2.gz WFMVCJCAWANSHZ-KGLIPLIRSA-N 1 2 353.369 2.845 20 5 FFBDLO O=C1C[C@H](C(F)F)CN1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000840128329 747012773 /nfs/dbraw/zinc/01/27/73/747012773.db2.gz WFMVCJCAWANSHZ-KGLIPLIRSA-N 1 2 353.369 2.845 20 5 FFBDLO O=C1C[C@@H](C(F)F)CN1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000840128332 747012923 /nfs/dbraw/zinc/01/29/23/747012923.db2.gz WFMVCJCAWANSHZ-ZIAGYGMSSA-N 1 2 353.369 2.845 20 5 FFBDLO O=C1C[C@@H](C(F)F)CN1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000840128332 747012931 /nfs/dbraw/zinc/01/29/31/747012931.db2.gz WFMVCJCAWANSHZ-ZIAGYGMSSA-N 1 2 353.369 2.845 20 5 FFBDLO O=C(OCCOCC(F)(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000069659260 845550429 /nfs/dbraw/zinc/55/04/29/845550429.db2.gz QOPXQOMSSZMLPT-UHFFFAOYSA-N 1 2 359.260 2.516 20 5 FFBDLO CCn1c[nH+]c2c1CCN(c1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-])C2 ZINC000896660154 971648919 /nfs/dbraw/zinc/64/89/19/971648919.db2.gz SMWHGBNFZUYDQK-UHFFFAOYSA-N 1 2 357.414 2.512 20 5 FFBDLO Cc1nn(C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)c(C)c1[N+](=O)[O-] ZINC000066858968 972395793 /nfs/dbraw/zinc/39/57/93/972395793.db2.gz HNBHAQWJQRQWHK-UHFFFAOYSA-N 1 2 363.462 2.527 20 5 FFBDLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@H](CO)c1ccccc1 ZINC001167310545 961560567 /nfs/dbraw/zinc/56/05/67/961560567.db2.gz WEIXCHAKYNJMOO-MRXNPFEDSA-N 1 2 363.801 2.852 20 5 FFBDLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@H](CO)c1ccccc1 ZINC001167310545 961560585 /nfs/dbraw/zinc/56/05/85/961560585.db2.gz WEIXCHAKYNJMOO-MRXNPFEDSA-N 1 2 363.801 2.852 20 5 FFBDLO Cc1cc(C[NH+]2CCN(c3c4cc(F)ccc4ncc3[N+](=O)[O-])CC2)on1 ZINC000891617257 964594135 /nfs/dbraw/zinc/59/41/35/964594135.db2.gz FGCRTSFOJFGISD-UHFFFAOYSA-N 1 2 371.372 2.901 20 5 FFBDLO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@@H](O)c3ccc(F)c(F)c3)CC2)c1 ZINC000051377587 966090235 /nfs/dbraw/zinc/09/02/35/966090235.db2.gz ZWLUGVDJWQFVPR-GOSISDBHSA-N 1 2 363.364 2.729 20 5 FFBDLO Cc1cc(F)cc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000176756066 967149281 /nfs/dbraw/zinc/14/92/81/967149281.db2.gz HENUIYWHYUTREV-UHFFFAOYSA-N 1 2 358.373 2.836 20 5 FFBDLO COc1c(O)ccc(C[N@@H+]2Cc3cnn(C)c3CC(C)(C)C2)c1[N+](=O)[O-] ZINC000895486147 970673160 /nfs/dbraw/zinc/67/31/60/970673160.db2.gz YOFTVQDXXFDKIY-UHFFFAOYSA-N 1 2 360.414 2.627 20 5 FFBDLO COc1c(O)ccc(C[N@H+]2Cc3cnn(C)c3CC(C)(C)C2)c1[N+](=O)[O-] ZINC000895486147 970673170 /nfs/dbraw/zinc/67/31/70/970673170.db2.gz YOFTVQDXXFDKIY-UHFFFAOYSA-N 1 2 360.414 2.627 20 5 FFBDLO CC(=O)CCn1cc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000906304479 980623730 /nfs/dbraw/zinc/62/37/30/980623730.db2.gz HRCRKCGBGODBRU-INIZCTEOSA-N 1 2 357.414 2.545 20 5 FFBDLO CC(=O)CCn1cc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000906304479 980623737 /nfs/dbraw/zinc/62/37/37/980623737.db2.gz HRCRKCGBGODBRU-INIZCTEOSA-N 1 2 357.414 2.545 20 5 FFBDLO C/C(=C\C(=O)Nc1cc([N+](=O)[O-])ccc1NC(C)C)C[NH+]1CCOCC1 ZINC000909019742 981598008 /nfs/dbraw/zinc/59/80/08/981598008.db2.gz GEZZUMLALRCERF-GXDHUFHOSA-N 1 2 362.430 2.632 20 5 FFBDLO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000227691774 984861726 /nfs/dbraw/zinc/86/17/26/984861726.db2.gz QMAYURNHJLEHLL-BBWFWOEESA-N 1 2 374.485 2.610 20 5 FFBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000171167685 985228316 /nfs/dbraw/zinc/22/83/16/985228316.db2.gz IOKNJMCZZLCEER-UHFFFAOYSA-N 1 2 365.393 2.822 20 5 FFBDLO O=C(c1cc(F)c([N+](=O)[O-])cc1F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000153412324 988052760 /nfs/dbraw/zinc/05/27/60/988052760.db2.gz CVGBQJBYTYYHNQ-UHFFFAOYSA-N 1 2 361.348 2.831 20 5 FFBDLO Cc1cccc([C@@H](O)CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000153430904 988100075 /nfs/dbraw/zinc/10/00/75/988100075.db2.gz KETNCLAWKMVFKT-SFHVURJKSA-N 1 2 366.377 2.552 20 5 FFBDLO CCOc1ccc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000126338091 989091871 /nfs/dbraw/zinc/09/18/71/989091871.db2.gz VAPFHNWTRRKOAS-XJKSGUPXSA-N 1 2 358.398 2.913 20 5 FFBDLO CO[C@H]1C[C@H]2C[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])Cc3cccnc3N2C1 ZINC000879267035 1015448124 /nfs/dbraw/zinc/44/81/24/1015448124.db2.gz UGHMGVSTYSQTNZ-IRXDYDNUSA-N 1 2 372.400 2.738 20 5 FFBDLO CO[C@H]1C[C@H]2C[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])Cc3cccnc3N2C1 ZINC000879267035 1015448129 /nfs/dbraw/zinc/44/81/29/1015448129.db2.gz UGHMGVSTYSQTNZ-IRXDYDNUSA-N 1 2 372.400 2.738 20 5 FFBDLO COc1c(C)c[nH+]c(CN(C)C(=O)NCc2cccc([N+](=O)[O-])c2)c1C ZINC000195162195 990752697 /nfs/dbraw/zinc/75/26/97/990752697.db2.gz MJEYHSQHVINDII-UHFFFAOYSA-N 1 2 358.398 2.957 20 5 FFBDLO C[C@]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593288402 994655203 /nfs/dbraw/zinc/65/52/03/994655203.db2.gz ISXHZJXWBFQXRG-QGZVFWFLSA-N 1 2 372.406 2.932 20 5 FFBDLO O=C(OCc1c(F)cccc1[N+](=O)[O-])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741381651 999725611 /nfs/dbraw/zinc/72/56/11/999725611.db2.gz IMPSZEGRZQZZDV-GOSISDBHSA-N 1 2 374.368 2.678 20 5 FFBDLO O=C(OCc1c(F)cccc1[N+](=O)[O-])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741381651 999725613 /nfs/dbraw/zinc/72/56/13/999725613.db2.gz IMPSZEGRZQZZDV-GOSISDBHSA-N 1 2 374.368 2.678 20 5 FFBDLO COc1ccc(OC)c2c1C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]2O ZINC000742588350 999778849 /nfs/dbraw/zinc/77/88/49/999778849.db2.gz ICXTWYXRLYNOJZ-INIZCTEOSA-N 1 2 374.393 2.540 20 5 FFBDLO COc1ccc(OC)c2c1C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]2O ZINC000742588350 999778852 /nfs/dbraw/zinc/77/88/52/999778852.db2.gz ICXTWYXRLYNOJZ-INIZCTEOSA-N 1 2 374.393 2.540 20 5 FFBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@H+](CCc1ccccc1)C1CC1 ZINC000746022542 999941473 /nfs/dbraw/zinc/94/14/73/999941473.db2.gz DWQMONKNELMAAX-UHFFFAOYSA-N 1 2 365.389 2.855 20 5 FFBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@@H+](CCc1ccccc1)C1CC1 ZINC000746022542 999941477 /nfs/dbraw/zinc/94/14/77/999941477.db2.gz DWQMONKNELMAAX-UHFFFAOYSA-N 1 2 365.389 2.855 20 5 FFBDLO O=C(N[C@@H](CCO)c1cccs1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000768877811 1000373168 /nfs/dbraw/zinc/37/31/68/1000373168.db2.gz WQSDPMQTPQYPFO-ZDUSSCGKSA-N 1 2 372.406 2.696 20 5 FFBDLO Cn1ncc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1C1CC1 ZINC000771496521 1001128456 /nfs/dbraw/zinc/12/84/56/1001128456.db2.gz WVXKFCFCVCQNER-UHFFFAOYSA-N 1 2 352.354 2.644 20 5 FFBDLO Cc1ccc(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c(N(C)C)[nH+]1 ZINC000787421779 1001688769 /nfs/dbraw/zinc/68/87/69/1001688769.db2.gz VOSYVQIAQJWUSW-UHFFFAOYSA-N 1 2 371.397 2.659 20 5 FFBDLO CCOc1cc([N+](=O)[O-])c(C(=O)OCCCc2[nH+]ccn2C)cc1OC ZINC000789792712 1002196610 /nfs/dbraw/zinc/19/66/10/1002196610.db2.gz XQXFFDKXGPKYKN-UHFFFAOYSA-N 1 2 363.370 2.525 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC001183455714 1002280272 /nfs/dbraw/zinc/28/02/72/1002280272.db2.gz WOPWOXWRTWUXRN-OAHLLOKOSA-N 1 2 359.348 2.855 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC001183455714 1002280283 /nfs/dbraw/zinc/28/02/83/1002280283.db2.gz WOPWOXWRTWUXRN-OAHLLOKOSA-N 1 2 359.348 2.855 20 5 FFBDLO COc1c(C)c[nH+]c(CNC(=O)NCc2cccc([N+](=O)[O-])c2C)c1C ZINC000790268157 1002322606 /nfs/dbraw/zinc/32/26/06/1002322606.db2.gz FXDUYKYXBDZIAN-UHFFFAOYSA-N 1 2 358.398 2.923 20 5 FFBDLO C[C@@H]1OCC[C@]12C[N@H+](Cn1cc(-c3ccc([N+](=O)[O-])cc3)cn1)C[C@@H](C)O2 ZINC000790403268 1002364122 /nfs/dbraw/zinc/36/41/22/1002364122.db2.gz QIABBUQXDBLYLY-VCBZYWHSSA-N 1 2 372.425 2.684 20 5 FFBDLO C[C@@H]1OCC[C@]12C[N@@H+](Cn1cc(-c3ccc([N+](=O)[O-])cc3)cn1)C[C@@H](C)O2 ZINC000790403268 1002364136 /nfs/dbraw/zinc/36/41/36/1002364136.db2.gz QIABBUQXDBLYLY-VCBZYWHSSA-N 1 2 372.425 2.684 20 5 FFBDLO O=C1OCC[C@H]1[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC001185818997 1003087823 /nfs/dbraw/zinc/08/78/23/1003087823.db2.gz GRIYHYSJELMNJN-CQSZACIVSA-N 1 2 373.331 2.805 20 5 FFBDLO COC(=O)[C@@H]([NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C1CCCC1 ZINC001170313069 1003104290 /nfs/dbraw/zinc/10/42/90/1003104290.db2.gz KAMQMVOCXDGGSM-PXAZEXFGSA-N 1 2 350.415 2.856 20 5 FFBDLO Cc1cn(C[NH+]2CCC(C3CC3)CC2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000793630881 1003449823 /nfs/dbraw/zinc/44/98/23/1003449823.db2.gz KIJNGRYKFDKMHQ-UHFFFAOYSA-N 1 2 356.426 2.935 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(c2ncco2)CC1 ZINC001196789436 1003956233 /nfs/dbraw/zinc/95/62/33/1003956233.db2.gz LMYQYYWUNSXQLH-GFCCVEGCSA-N 1 2 374.397 2.798 20 5 FFBDLO Cc1nn(C)c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1Cl ZINC001130406167 1004161556 /nfs/dbraw/zinc/16/15/56/1004161556.db2.gz AYFXGUONABTKIG-UHFFFAOYSA-N 1 2 360.761 2.728 20 5 FFBDLO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCN(c3cc(F)ccc3F)CC2)cc1 ZINC000776275473 1005341728 /nfs/dbraw/zinc/34/17/28/1005341728.db2.gz FMJGUDYWMNQBFS-GOSISDBHSA-N 1 2 363.364 2.729 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000776275811 1005341772 /nfs/dbraw/zinc/34/17/72/1005341772.db2.gz LGLCJSGFRAQAGQ-QZTJIDSGSA-N 1 2 370.384 2.880 20 5 FFBDLO Cc1noc(C[N@@H+]2CCC[C@@H]2COC(=O)NC2CCCCC2)c1[N+](=O)[O-] ZINC000852043846 1005936293 /nfs/dbraw/zinc/93/62/93/1005936293.db2.gz AVOQELBHEXPJJF-CQSZACIVSA-N 1 2 366.418 2.915 20 5 FFBDLO Cc1noc(C[N@H+]2CCC[C@@H]2COC(=O)NC2CCCCC2)c1[N+](=O)[O-] ZINC000852043846 1005936295 /nfs/dbraw/zinc/93/62/95/1005936295.db2.gz AVOQELBHEXPJJF-CQSZACIVSA-N 1 2 366.418 2.915 20 5 FFBDLO Cc1noc(C[NH+]2CCC3(CCN3C(=O)OC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000852184829 1005948515 /nfs/dbraw/zinc/94/85/15/1005948515.db2.gz QPCSCKBWVYIJID-UHFFFAOYSA-N 1 2 366.418 2.867 20 5 FFBDLO COc1cccc(C[NH+]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)c1 ZINC001187371733 1006041850 /nfs/dbraw/zinc/04/18/50/1006041850.db2.gz SJINKNGNJHLYFA-UHFFFAOYSA-N 1 2 362.817 2.974 20 5 FFBDLO O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(NCc3[nH]c4c([nH+]3)CCCC4)c2c1 ZINC001187715742 1006212391 /nfs/dbraw/zinc/21/23/91/1006212391.db2.gz CFSGGGYVYFFHLO-UHFFFAOYSA-N 1 2 368.353 2.687 20 5 FFBDLO Cc1ccc(O[C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC000858037260 1008285161 /nfs/dbraw/zinc/28/51/61/1008285161.db2.gz LWWMDOTWHQOHIN-RHSMWYFYSA-N 1 2 370.409 2.779 20 5 FFBDLO Cc1ccc(O[C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC000858037260 1008285164 /nfs/dbraw/zinc/28/51/64/1008285164.db2.gz LWWMDOTWHQOHIN-RHSMWYFYSA-N 1 2 370.409 2.779 20 5 FFBDLO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCN(c3cc(F)ccc3F)CC2)c1 ZINC000137070874 1008560095 /nfs/dbraw/zinc/56/00/95/1008560095.db2.gz NTUAGSAYNJFFFE-GOSISDBHSA-N 1 2 363.364 2.729 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@H]1CC2(CCC2)CO1)c1cccc([N+](=O)[O-])c1 ZINC000886701477 1008829272 /nfs/dbraw/zinc/82/92/72/1008829272.db2.gz QDOJIOOWUQJHPT-IAGOWNOFSA-N 1 2 356.426 2.967 20 5 FFBDLO O=C(NC1([C@@H]2CCCCO2)CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000887097916 1009020093 /nfs/dbraw/zinc/02/00/93/1009020093.db2.gz HTNLCTWESUJNFT-INIZCTEOSA-N 1 2 356.382 2.612 20 5 FFBDLO Cc1nn(CN2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)c(C)c1[N+](=O)[O-] ZINC000863324509 1010174562 /nfs/dbraw/zinc/17/45/62/1010174562.db2.gz ADVNGYORQMEXPA-UHFFFAOYSA-N 1 2 368.441 2.665 20 5 FFBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000826697163 1010422060 /nfs/dbraw/zinc/42/20/60/1010422060.db2.gz XJWYVNWSJAUKTF-INIZCTEOSA-N 1 2 355.394 2.910 20 5 FFBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000826697163 1010422064 /nfs/dbraw/zinc/42/20/64/1010422064.db2.gz XJWYVNWSJAUKTF-INIZCTEOSA-N 1 2 355.394 2.910 20 5 FFBDLO CC1(C)C[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C[C@@]2(CCOC2)O1 ZINC000794696063 1010515597 /nfs/dbraw/zinc/51/55/97/1010515597.db2.gz UZLSDZBQRPKIEG-LJQANCHMSA-N 1 2 372.425 2.686 20 5 FFBDLO CC1(C)C[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C[C@@]2(CCOC2)O1 ZINC000794696063 1010515605 /nfs/dbraw/zinc/51/56/05/1010515605.db2.gz UZLSDZBQRPKIEG-LJQANCHMSA-N 1 2 372.425 2.686 20 5 FFBDLO C[C@@H]1C[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C[C@@]2(CCCOC2)O1 ZINC000794901673 1010938525 /nfs/dbraw/zinc/93/85/25/1010938525.db2.gz PAIKBDPCBSJIKR-DNVCBOLYSA-N 1 2 372.425 2.686 20 5 FFBDLO C[C@@H]1C[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C[C@@]2(CCCOC2)O1 ZINC000794901673 1010938530 /nfs/dbraw/zinc/93/85/30/1010938530.db2.gz PAIKBDPCBSJIKR-DNVCBOLYSA-N 1 2 372.425 2.686 20 5 FFBDLO Cc1ccc(CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000869055053 1011589948 /nfs/dbraw/zinc/58/99/48/1011589948.db2.gz OXZFBTUBHBOEIE-MRXNPFEDSA-N 1 2 356.382 2.661 20 5 FFBDLO COc1cccc([C@@H]2CN(C(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)CC[NH2+]2)c1 ZINC000870152393 1012212205 /nfs/dbraw/zinc/21/22/05/1012212205.db2.gz MWZZWFJPWUWDFP-LIRRHRJNSA-N 1 2 369.421 2.880 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2CCN(c3ccccn3)CC2)c1F ZINC001173181870 1012325641 /nfs/dbraw/zinc/32/56/41/1012325641.db2.gz FEBUIKVVDHXPCQ-AWEZNQCLSA-N 1 2 374.416 2.891 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)c1F ZINC001173196578 1012342058 /nfs/dbraw/zinc/34/20/58/1012342058.db2.gz NUESCZDALLDXLJ-NEPJUHHUSA-N 1 2 373.375 2.699 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CCN3CC(F)(F)C[C@H]3C2)c1F ZINC001173196578 1012342073 /nfs/dbraw/zinc/34/20/73/1012342073.db2.gz NUESCZDALLDXLJ-NEPJUHHUSA-N 1 2 373.375 2.699 20 5 FFBDLO CC(C)OCc1nnc2n1CC[N@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173223782 1012355741 /nfs/dbraw/zinc/35/57/41/1012355741.db2.gz HNJRPTVGLZAPOR-AWEZNQCLSA-N 1 2 359.430 2.558 20 5 FFBDLO CC(C)OCc1nnc2n1CC[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173223782 1012355761 /nfs/dbraw/zinc/35/57/61/1012355761.db2.gz HNJRPTVGLZAPOR-AWEZNQCLSA-N 1 2 359.430 2.558 20 5 FFBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCn2c(COCC3CC3)nnc2C1 ZINC001173228543 1012365433 /nfs/dbraw/zinc/36/54/33/1012365433.db2.gz ZAJVGOAMQNOHDI-AWEZNQCLSA-N 1 2 371.441 2.560 20 5 FFBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCn2c(COCC3CC3)nnc2C1 ZINC001173228543 1012365442 /nfs/dbraw/zinc/36/54/42/1012365442.db2.gz ZAJVGOAMQNOHDI-AWEZNQCLSA-N 1 2 371.441 2.560 20 5 FFBDLO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927096654 1018358949 /nfs/dbraw/zinc/35/89/49/1018358949.db2.gz GCKSDDNMGKSGDV-UHFFFAOYSA-N 1 2 370.409 2.862 20 5 FFBDLO CNc1[nH]c2cc(-c3nc(-c4ncc(F)cc4[N+](=O)[O-])no3)ccc2[nH+]1 ZINC001217627935 1032812844 /nfs/dbraw/zinc/81/28/44/1032812844.db2.gz XUCZIACNLJADHZ-UHFFFAOYSA-N 1 2 355.289 2.764 20 5 FFBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000929991226 1019798251 /nfs/dbraw/zinc/79/82/51/1019798251.db2.gz WFHPTYMYMRPDAM-IAGOWNOFSA-N 1 2 354.410 2.590 20 5 FFBDLO Cc1ccccc1[C@@H]1CC[N@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000725779977 1020257915 /nfs/dbraw/zinc/25/79/15/1020257915.db2.gz SHLCFZPUKOPLBX-CQSZACIVSA-N 1 2 365.389 2.946 20 5 FFBDLO Cc1ccccc1[C@@H]1CC[N@@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000725779977 1020257922 /nfs/dbraw/zinc/25/79/22/1020257922.db2.gz SHLCFZPUKOPLBX-CQSZACIVSA-N 1 2 365.389 2.946 20 5 FFBDLO CCn1c[nH+]c2c1CCN(Cn1cc(-c3cccc([N+](=O)[O-])c3)cn1)C2 ZINC000902551467 1020279598 /nfs/dbraw/zinc/27/95/98/1020279598.db2.gz SSRUDZPSSCUQKB-UHFFFAOYSA-N 1 2 352.398 2.691 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2ccn(C)n2)C1 ZINC000932137157 1020718101 /nfs/dbraw/zinc/71/81/01/1020718101.db2.gz MPMGBXZZVDNUBJ-ZIAGYGMSSA-N 1 2 357.414 2.535 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2ccn(C)n2)C1 ZINC000932137157 1020718109 /nfs/dbraw/zinc/71/81/09/1020718109.db2.gz MPMGBXZZVDNUBJ-ZIAGYGMSSA-N 1 2 357.414 2.535 20 5 FFBDLO C[N@@H+](CC(=O)NCCC1=CCCCC1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000933357244 1020999874 /nfs/dbraw/zinc/99/98/74/1020999874.db2.gz IFYSAJXSIMMPGP-GOSISDBHSA-N 1 2 361.442 2.567 20 5 FFBDLO C[N@H+](CC(=O)NCCC1=CCCCC1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000933357244 1020999877 /nfs/dbraw/zinc/99/98/77/1020999877.db2.gz IFYSAJXSIMMPGP-GOSISDBHSA-N 1 2 361.442 2.567 20 5 FFBDLO C[N@@H+](CC(=O)NCCC1=CCCCC1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000933357654 1021000581 /nfs/dbraw/zinc/00/05/81/1021000581.db2.gz LXIHYVPDANSKBQ-GOSISDBHSA-N 1 2 361.442 2.567 20 5 FFBDLO C[N@H+](CC(=O)NCCC1=CCCCC1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000933357654 1021000590 /nfs/dbraw/zinc/00/05/90/1021000590.db2.gz LXIHYVPDANSKBQ-GOSISDBHSA-N 1 2 361.442 2.567 20 5 FFBDLO O=c1ccc2ncc(O[C@H]3CC[NH2+]CC3(F)F)c3c4ccccc4n1c32 ZINC001218011713 1032952091 /nfs/dbraw/zinc/95/20/91/1032952091.db2.gz DTUOQSQHHOIEQJ-HNNXBMFYSA-N 1 2 355.344 2.815 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000935678494 1021815064 /nfs/dbraw/zinc/81/50/64/1021815064.db2.gz ZDGIILKAEPZLPJ-HYVNUMGLSA-N 1 2 354.410 2.838 20 5 FFBDLO Cc1ccc(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)c(N(C)C)[nH+]1 ZINC000750400254 1021916164 /nfs/dbraw/zinc/91/61/64/1021916164.db2.gz XUBSQXPMBSNIMD-UHFFFAOYSA-N 1 2 359.386 2.565 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)cc(Br)c1O[C@@H]1C[NH2+]CC1(F)F ZINC001218236170 1033064046 /nfs/dbraw/zinc/06/40/46/1033064046.db2.gz HEGQNAUBDPVQLS-MRVPVSSYSA-N 1 2 357.538 2.997 20 5 FFBDLO Cc1c(C(=O)Nc2cc(N(C)C)cc[nH+]2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000753014305 1023252928 /nfs/dbraw/zinc/25/29/28/1023252928.db2.gz CBGAFWVYIAPUFY-UHFFFAOYSA-N 1 2 359.342 2.833 20 5 FFBDLO O=C(OCc1ccc(-n2cc[nH+]c2)cc1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000754498849 1023477775 /nfs/dbraw/zinc/47/77/75/1023477775.db2.gz SAXAGPJJJKSKDX-UHFFFAOYSA-N 1 2 367.317 2.866 20 5 FFBDLO Cc1ccnc(C2CC[NH+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])CC2)n1 ZINC000755221609 1023579491 /nfs/dbraw/zinc/57/94/91/1023579491.db2.gz FIDOQBCBWCJRRZ-UHFFFAOYSA-N 1 2 369.425 2.820 20 5 FFBDLO Cc1cc2nc3nc(=O)[nH]c(O[C@H]4CC[NH2+]C(C)(C)C4)c3nc2cc1C ZINC001218471441 1033170232 /nfs/dbraw/zinc/17/02/32/1033170232.db2.gz JYBXNDCQOKWVNC-LBPRGKRZSA-N 1 2 353.426 2.805 20 5 FFBDLO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000086247067 1025251831 /nfs/dbraw/zinc/25/18/31/1025251831.db2.gz VCNVRZOUGYKUPG-RMKNXTFCSA-N 1 2 367.405 2.658 20 5 FFBDLO CCc1cnccc1CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001137889177 1033292717 /nfs/dbraw/zinc/29/27/17/1033292717.db2.gz SPKCEPGYHXUABV-UHFFFAOYSA-N 1 2 351.366 2.668 20 5 FFBDLO Cc1cn(C[N@@H+]2CCCO[C@@H](C(C)C)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000840094569 1026954248 /nfs/dbraw/zinc/95/42/48/1026954248.db2.gz HMBANKOSPFXOMO-GOSISDBHSA-N 1 2 374.441 2.560 20 5 FFBDLO Cc1cn(C[N@H+]2CCCO[C@@H](C(C)C)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000840094569 1026954252 /nfs/dbraw/zinc/95/42/52/1026954252.db2.gz HMBANKOSPFXOMO-GOSISDBHSA-N 1 2 374.441 2.560 20 5 FFBDLO O=[N+]([O-])c1ccc2ncnc(N3CC[C@@H]([NH+]4CCCC4)C(F)(F)C3)c2c1 ZINC001158623243 1027077105 /nfs/dbraw/zinc/07/71/05/1027077105.db2.gz RFSPWCFRMIUYIY-OAHLLOKOSA-N 1 2 363.368 2.848 20 5 FFBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001159974044 1027550084 /nfs/dbraw/zinc/55/00/84/1027550084.db2.gz PVLNGXYZSPJDLC-UHFFFAOYSA-N 1 2 371.441 2.991 20 5 FFBDLO C[C@H]1C[C@H]1c1cc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n[nH]1 ZINC001163246604 1028853269 /nfs/dbraw/zinc/85/32/69/1028853269.db2.gz BDMWRWSBHRLUCG-CMPLNLGQSA-N 1 2 352.354 2.879 20 5 FFBDLO O=C1N(C[NH+]2CCC(OC3CCC3)CC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000841686309 1030402060 /nfs/dbraw/zinc/40/20/60/1030402060.db2.gz MEMMWNFGGXJZTN-UHFFFAOYSA-N 1 2 374.441 2.828 20 5 FFBDLO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(N2CCNC2=O)cc1 ZINC000829751728 1033321278 /nfs/dbraw/zinc/32/12/78/1033321278.db2.gz NRYUIFKERXQLST-LBPRGKRZSA-N 1 2 356.382 2.681 20 5 FFBDLO COc1cc(Br)c(O[C@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC001226279958 1034609327 /nfs/dbraw/zinc/60/93/27/1034609327.db2.gz UDJDGTVKQWSFPE-ZDUSSCGKSA-N 1 2 357.204 2.839 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001226443051 1034687439 /nfs/dbraw/zinc/68/74/39/1034687439.db2.gz LSULRHQAXGVTGT-KRWDZBQOSA-N 1 2 358.394 2.883 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001226443051 1034687446 /nfs/dbraw/zinc/68/74/46/1034687446.db2.gz LSULRHQAXGVTGT-KRWDZBQOSA-N 1 2 358.394 2.883 20 5 FFBDLO COc1cc(O[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)ncc1[N+](=O)[O-] ZINC001226581332 1034744583 /nfs/dbraw/zinc/74/45/83/1034744583.db2.gz OHMRVTOHBHMNEA-KBXCAEBGSA-N 1 2 373.409 2.667 20 5 FFBDLO COc1cc(O[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ncc1[N+](=O)[O-] ZINC001226581332 1034744594 /nfs/dbraw/zinc/74/45/94/1034744594.db2.gz OHMRVTOHBHMNEA-KBXCAEBGSA-N 1 2 373.409 2.667 20 5 FFBDLO 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COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000029705830 249351589 /nfs/dbraw/zinc/35/15/89/249351589.db2.gz RMCHYCRKSJGQIY-UHFFFAOYSA-N 1 2 369.421 2.952 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000029705830 249351593 /nfs/dbraw/zinc/35/15/93/249351593.db2.gz RMCHYCRKSJGQIY-UHFFFAOYSA-N 1 2 369.421 2.952 20 5 FFBDLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000103474572 250152513 /nfs/dbraw/zinc/15/25/13/250152513.db2.gz ZFGLBXSYQMUYQM-GFCCVEGCSA-N 1 2 356.386 2.961 20 5 FFBDLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000103474572 250152516 /nfs/dbraw/zinc/15/25/16/250152516.db2.gz ZFGLBXSYQMUYQM-GFCCVEGCSA-N 1 2 356.386 2.961 20 5 FFBDLO Cc1cc(NC(=O)Cn2cc([N+](=O)[O-])cn2)c[nH+]c1N1CCCC[C@@H]1C ZINC000272658740 252093387 /nfs/dbraw/zinc/09/33/87/252093387.db2.gz IDIFTMVSFMVTAR-ZDUSSCGKSA-N 1 2 358.402 2.512 20 5 FFBDLO Cc1nn(C)c(N2CCc3c([nH+]cn3-c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000272660569 252093636 /nfs/dbraw/zinc/09/36/36/252093636.db2.gz BUFJOTNAHGEDFA-UHFFFAOYSA-N 1 2 356.361 2.524 20 5 FFBDLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3c[nH]c4cc([N+](=O)[O-])ccc43)n2)C1 ZINC000272717919 252111703 /nfs/dbraw/zinc/11/17/03/252111703.db2.gz YVPPQAUJIJTUKI-HNNXBMFYSA-N 1 2 357.370 2.908 20 5 FFBDLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3c[nH]c4cc([N+](=O)[O-])ccc43)n2)C1 ZINC000272717919 252111706 /nfs/dbraw/zinc/11/17/06/252111706.db2.gz YVPPQAUJIJTUKI-HNNXBMFYSA-N 1 2 357.370 2.908 20 5 FFBDLO COc1ccc(NC(=O)c2ccccc2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000272945151 252170977 /nfs/dbraw/zinc/17/09/77/252170977.db2.gz PNBDCXQCMBDWAZ-UHFFFAOYSA-N 1 2 371.393 2.688 20 5 FFBDLO COc1ccc(NC(=O)N2CC[NH+](Cc3ccco3)CC2)cc1[N+](=O)[O-] ZINC000272781008 252129368 /nfs/dbraw/zinc/12/93/68/252129368.db2.gz DUUUIITUFDUIQU-UHFFFAOYSA-N 1 2 360.370 2.546 20 5 FFBDLO CCc1[nH+]c2ccccc2n1C1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285735092 257001820 /nfs/dbraw/zinc/00/18/20/257001820.db2.gz GTRLPOKANIHFOA-UHFFFAOYSA-N 1 2 368.397 2.707 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000275718410 256042026 /nfs/dbraw/zinc/04/20/26/256042026.db2.gz HCPINTUFCUZRAR-GUYCJALGSA-N 1 2 373.413 2.987 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1CNc1cc(N2CCSCC2)nc[nH+]1 ZINC000277312274 256183129 /nfs/dbraw/zinc/18/31/29/256183129.db2.gz CXZIYHROPFRJRO-UHFFFAOYSA-N 1 2 361.427 2.559 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1CNc1cc(N2CCSCC2)[nH+]cn1 ZINC000277312274 256183131 /nfs/dbraw/zinc/18/31/31/256183131.db2.gz CXZIYHROPFRJRO-UHFFFAOYSA-N 1 2 361.427 2.559 20 5 FFBDLO O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000277768617 256237043 /nfs/dbraw/zinc/23/70/43/256237043.db2.gz SMKMAXHLNXMSQT-UHFFFAOYSA-N 1 2 366.381 2.630 20 5 FFBDLO Cn1cc[nH+]c1CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278358657 256303184 /nfs/dbraw/zinc/30/31/84/256303184.db2.gz CSYRTDIHVCAQKW-UHFFFAOYSA-N 1 2 351.235 2.990 20 5 FFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000278409450 256309544 /nfs/dbraw/zinc/30/95/44/256309544.db2.gz PSURYEGWTYPLQQ-GXFFZTMASA-N 1 2 363.292 2.638 20 5 FFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000278409450 256309546 /nfs/dbraw/zinc/30/95/46/256309546.db2.gz PSURYEGWTYPLQQ-GXFFZTMASA-N 1 2 363.292 2.638 20 5 FFBDLO Cc1cccc(C[NH+]2CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)CC2)c1 ZINC000279138988 256385518 /nfs/dbraw/zinc/38/55/18/256385518.db2.gz CUYSOEFGEYXZRW-UHFFFAOYSA-N 1 2 372.400 2.583 20 5 FFBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000285936522 257012055 /nfs/dbraw/zinc/01/20/55/257012055.db2.gz LZFVDNGBBGPDGH-KBXCAEBGSA-N 1 2 372.425 2.545 20 5 FFBDLO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC2 ZINC000286382773 257034278 /nfs/dbraw/zinc/03/42/78/257034278.db2.gz KLZYCUFMIUDYOW-HOTGVXAUSA-N 1 2 356.369 2.625 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000288990724 257245186 /nfs/dbraw/zinc/24/51/86/257245186.db2.gz FLRADLROJOUPGU-DZGCQCFKSA-N 1 2 362.430 2.539 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000289252959 257269204 /nfs/dbraw/zinc/26/92/04/257269204.db2.gz CNMBKKNGGSOLEM-HNNXBMFYSA-N 1 2 370.409 2.817 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000289252959 257269207 /nfs/dbraw/zinc/26/92/07/257269207.db2.gz CNMBKKNGGSOLEM-HNNXBMFYSA-N 1 2 370.409 2.817 20 5 FFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)c1 ZINC000291255312 257394373 /nfs/dbraw/zinc/39/43/73/257394373.db2.gz MKQAPNYZVFNMSZ-JTQLQIEISA-N 1 2 352.284 2.646 20 5 FFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC(F)(F)[C@H](CO)C2)c1 ZINC000291255312 257394374 /nfs/dbraw/zinc/39/43/74/257394374.db2.gz MKQAPNYZVFNMSZ-JTQLQIEISA-N 1 2 352.284 2.646 20 5 FFBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@H+](CCc1cn[nH]c1)CC2 ZINC000297587745 257845287 /nfs/dbraw/zinc/84/52/87/257845287.db2.gz IWGCUUDOCJIPBX-UHFFFAOYSA-N 1 2 351.204 2.681 20 5 FFBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@@H+](CCc1cn[nH]c1)CC2 ZINC000297587745 257845288 /nfs/dbraw/zinc/84/52/88/257845288.db2.gz IWGCUUDOCJIPBX-UHFFFAOYSA-N 1 2 351.204 2.681 20 5 FFBDLO C[C@@H]1C[N@@H+](C[C@H]2CCCN2c2c(F)cc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000302545043 258105843 /nfs/dbraw/zinc/10/58/43/258105843.db2.gz UMBMEPPEOQEOAL-FRRDWIJNSA-N 1 2 355.385 2.951 20 5 FFBDLO C[C@@H]1C[N@H+](C[C@H]2CCCN2c2c(F)cc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000302545043 258105844 /nfs/dbraw/zinc/10/58/44/258105844.db2.gz UMBMEPPEOQEOAL-FRRDWIJNSA-N 1 2 355.385 2.951 20 5 FFBDLO Cn1c2ccccc2[nH+]c1CCCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301967088 258078891 /nfs/dbraw/zinc/07/88/91/258078891.db2.gz LAUFVORCBDVSDR-UHFFFAOYSA-N 1 2 351.370 2.569 20 5 FFBDLO CC(C)(C)[C@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1O ZINC000330693691 258168564 /nfs/dbraw/zinc/16/85/64/258168564.db2.gz CJYICGLAIRCLKJ-SWLSCSKDSA-N 1 2 369.849 2.916 20 5 FFBDLO CC(C)(C)[C@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1O ZINC000330693691 258168565 /nfs/dbraw/zinc/16/85/65/258168565.db2.gz CJYICGLAIRCLKJ-SWLSCSKDSA-N 1 2 369.849 2.916 20 5 FFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000331969629 258207970 /nfs/dbraw/zinc/20/79/70/258207970.db2.gz LLBQCTWYHRQYNJ-MRXNPFEDSA-N 1 2 374.485 2.722 20 5 FFBDLO Cc1nc(C)n(C[C@H]2C[N@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CCO2)n1 ZINC000331733884 258198686 /nfs/dbraw/zinc/19/86/86/258198686.db2.gz RVAIQMYKLZIEMJ-CXAGYDPISA-N 1 2 359.430 2.574 20 5 FFBDLO Cc1nc(C)n(C[C@H]2C[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CCO2)n1 ZINC000331733884 258198687 /nfs/dbraw/zinc/19/86/87/258198687.db2.gz RVAIQMYKLZIEMJ-CXAGYDPISA-N 1 2 359.430 2.574 20 5 FFBDLO CCc1cc(N2CC[S@](=O)CC[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000373024893 512137743 /nfs/dbraw/zinc/13/77/43/512137743.db2.gz DHGFGHJIRWPRNM-WHDAMIPWSA-N 1 2 374.466 2.962 20 5 FFBDLO CC[C@@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000373043326 512145303 /nfs/dbraw/zinc/14/53/03/512145303.db2.gz BWOTVKUBWSVEAN-BXUZGUMPSA-N 1 2 374.363 2.556 20 5 FFBDLO CCOc1ncccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032246471 506235018 /nfs/dbraw/zinc/23/50/18/506235018.db2.gz GWJGWNWZCKWOQC-UHFFFAOYSA-N 1 2 353.338 2.827 20 5 FFBDLO C[C@@H]1C[NH+](C[C@@H]2CCCN2CCOc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000066377699 506501069 /nfs/dbraw/zinc/50/10/69/506501069.db2.gz JXEBVYCAEYMYPY-NUJGCVRESA-N 1 2 363.458 2.547 20 5 FFBDLO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[NH+](Cc2ccncc2)CC1 ZINC000008095808 506621979 /nfs/dbraw/zinc/62/19/79/506621979.db2.gz MEJBTIWYQZRPIC-UHFFFAOYSA-N 1 2 360.801 2.601 20 5 FFBDLO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CC(=O)Nc1cc(F)cc(F)c1 ZINC000066836283 506659200 /nfs/dbraw/zinc/65/92/00/506659200.db2.gz PEPSWSPDVLGAQH-UHFFFAOYSA-N 1 2 365.336 2.822 20 5 FFBDLO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC(=O)Nc1cc(F)cc(F)c1 ZINC000066836283 506659203 /nfs/dbraw/zinc/65/92/03/506659203.db2.gz PEPSWSPDVLGAQH-UHFFFAOYSA-N 1 2 365.336 2.822 20 5 FFBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1ccc(NC3CC3)c([N+](=O)[O-])c1)CCC2 ZINC000371255116 512291211 /nfs/dbraw/zinc/29/12/11/512291211.db2.gz DMJSDCMPNUZSFM-CQSZACIVSA-N 1 2 369.425 2.981 20 5 FFBDLO CSc1ccc(C(=O)NCCc2cn3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000010355898 506739216 /nfs/dbraw/zinc/73/92/16/506739216.db2.gz YWYHKNKFACVEED-UHFFFAOYSA-N 1 2 356.407 2.937 20 5 FFBDLO Cc1cc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)nc(C(C)C)[nH+]1 ZINC000011010162 506763071 /nfs/dbraw/zinc/76/30/71/506763071.db2.gz RMAJZUWNBSIBRO-UHFFFAOYSA-N 1 2 369.425 2.779 20 5 FFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000067656221 506964054 /nfs/dbraw/zinc/96/40/54/506964054.db2.gz VBZNNHFLNMRDME-UHFFFAOYSA-N 1 2 355.394 2.608 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000056465500 507021394 /nfs/dbraw/zinc/02/13/94/507021394.db2.gz LGKPIXJEHFFDBE-KRWDZBQOSA-N 1 2 365.393 2.917 20 5 FFBDLO C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599798 507155938 /nfs/dbraw/zinc/15/59/38/507155938.db2.gz XHHKEUGSCLDPJI-GFCCVEGCSA-N 1 2 374.372 2.903 20 5 FFBDLO C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599798 507155948 /nfs/dbraw/zinc/15/59/48/507155948.db2.gz XHHKEUGSCLDPJI-GFCCVEGCSA-N 1 2 374.372 2.903 20 5 FFBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1cn2ccccc2[nH+]1 ZINC000068350190 507197695 /nfs/dbraw/zinc/19/76/95/507197695.db2.gz NNPJPLVTPYZTBM-LLVKDONJSA-N 1 2 374.784 2.980 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375440750 512329281 /nfs/dbraw/zinc/32/92/81/512329281.db2.gz XTGNXEFAVXSHMN-WCQYABFASA-N 1 2 371.397 2.672 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375440750 512329285 /nfs/dbraw/zinc/32/92/85/512329285.db2.gz XTGNXEFAVXSHMN-WCQYABFASA-N 1 2 371.397 2.672 20 5 FFBDLO Cc1cccc2[nH+]c(CNC(=O)CCOc3ccccc3[N+](=O)[O-])cn21 ZINC000068571690 507275321 /nfs/dbraw/zinc/27/53/21/507275321.db2.gz FIDRCJNIPBTJGG-UHFFFAOYSA-N 1 2 354.366 2.636 20 5 FFBDLO CC(=O)NCC1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000057828268 507336449 /nfs/dbraw/zinc/33/64/49/507336449.db2.gz QLWKRUZLKWWCHZ-UHFFFAOYSA-N 1 2 369.425 2.713 20 5 FFBDLO O=[N+]([O-])c1ccccc1NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000060102989 507514219 /nfs/dbraw/zinc/51/42/19/507514219.db2.gz AEDSRCUEMVNIGP-UHFFFAOYSA-N 1 2 357.410 2.918 20 5 FFBDLO Cc1ccc2[nH+]c(CNS(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])cn2c1 ZINC000060507484 507554978 /nfs/dbraw/zinc/55/49/78/507554978.db2.gz LTKJEZZSGMCJNQ-UHFFFAOYSA-N 1 2 374.422 2.646 20 5 FFBDLO CC(C)C[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000026062559 507555464 /nfs/dbraw/zinc/55/54/64/507555464.db2.gz RAFYVESFGJKXIK-CQSZACIVSA-N 1 2 369.849 2.725 20 5 FFBDLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000026215669 507567964 /nfs/dbraw/zinc/56/79/64/507567964.db2.gz SVVCZHRBCGWCHM-UHFFFAOYSA-N 1 2 350.378 2.812 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000026346342 507580851 /nfs/dbraw/zinc/58/08/51/507580851.db2.gz WHIYOMPYFMLJPX-UHFFFAOYSA-N 1 2 359.382 2.683 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000026346342 507580855 /nfs/dbraw/zinc/58/08/55/507580855.db2.gz WHIYOMPYFMLJPX-UHFFFAOYSA-N 1 2 359.382 2.683 20 5 FFBDLO Cc1c(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000029085531 507758183 /nfs/dbraw/zinc/75/81/83/507758183.db2.gz BPCFBZRQTXOWBE-IBGZPJMESA-N 1 2 369.421 2.707 20 5 FFBDLO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000063702540 507762043 /nfs/dbraw/zinc/76/20/43/507762043.db2.gz AHYVPTVIVKGTIY-MRXNPFEDSA-N 1 2 369.421 2.942 20 5 FFBDLO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000063702540 507762046 /nfs/dbraw/zinc/76/20/46/507762046.db2.gz AHYVPTVIVKGTIY-MRXNPFEDSA-N 1 2 369.421 2.942 20 5 FFBDLO C[C@@H](C1CC1)N(C(=O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC000051374169 507765547 /nfs/dbraw/zinc/76/55/47/507765547.db2.gz MHKCLLXSGHVDPY-HNNXBMFYSA-N 1 2 372.469 2.506 20 5 FFBDLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000029913568 507795467 /nfs/dbraw/zinc/79/54/67/507795467.db2.gz JSKZXMOXJWNXTA-UHFFFAOYSA-N 1 2 366.333 2.804 20 5 FFBDLO Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c(C[NH+](C)C)c1 ZINC000073314493 507913306 /nfs/dbraw/zinc/91/33/06/507913306.db2.gz VBXQQDOHWMYIMJ-UHFFFAOYSA-N 1 2 367.402 2.905 20 5 FFBDLO Cc1ncc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3C)CC2)s1 ZINC000110943939 508058166 /nfs/dbraw/zinc/05/81/66/508058166.db2.gz DHYJKHSYJUOITA-UHFFFAOYSA-N 1 2 360.439 2.626 20 5 FFBDLO Cc1ccc(C[NH+]2CCN(C(=O)Cc3ccccc3F)CC2)cc1[N+](=O)[O-] ZINC000092535735 508079987 /nfs/dbraw/zinc/07/99/87/508079987.db2.gz CEZQDJQRJWPQRP-UHFFFAOYSA-N 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JTQUSQHVEFPCRZ-OAHLLOKOSA-N 1 2 365.433 2.926 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000156322934 509159970 /nfs/dbraw/zinc/15/99/70/509159970.db2.gz LHBUHACSFPRMOS-MRXNPFEDSA-N 1 2 362.430 2.622 20 5 FFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2cccs2)CC1 ZINC000121309956 509165096 /nfs/dbraw/zinc/16/50/96/509165096.db2.gz LGNCMXLWOOWIHE-ZDUSSCGKSA-N 1 2 360.439 2.806 20 5 FFBDLO C[C@@H](c1nnnn1C1CC1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000192048260 509318141 /nfs/dbraw/zinc/31/81/41/509318141.db2.gz RRUZAEXLBKTBKA-LBPRGKRZSA-N 1 2 358.402 2.521 20 5 FFBDLO NC(=O)[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000179219987 509326505 /nfs/dbraw/zinc/32/65/05/509326505.db2.gz FARZVFAHRUVSDS-AWEZNQCLSA-N 1 2 364.199 2.674 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@](C)(C(N)=O)c1ccccc1 ZINC000264214294 509387583 /nfs/dbraw/zinc/38/75/83/509387583.db2.gz TZQJPWIJNBSUHG-IBGZPJMESA-N 1 2 357.410 2.872 20 5 FFBDLO CCc1nc(CN2CC[NH+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)no1 ZINC000182881388 509474053 /nfs/dbraw/zinc/47/40/53/509474053.db2.gz AWOPEOZKRGQGGL-AWEZNQCLSA-N 1 2 359.430 2.727 20 5 FFBDLO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000267445257 509487064 /nfs/dbraw/zinc/48/70/64/509487064.db2.gz PVKYMFONIOSHIC-ZDUSSCGKSA-N 1 2 374.397 2.808 20 5 FFBDLO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000267445257 509487074 /nfs/dbraw/zinc/48/70/74/509487074.db2.gz PVKYMFONIOSHIC-ZDUSSCGKSA-N 1 2 374.397 2.808 20 5 FFBDLO Cc1ccc([C@@H](C)NC(=O)NCc2ccc(N(C)C)[nH+]c2)cc1[N+](=O)[O-] ZINC000267677257 509593753 /nfs/dbraw/zinc/59/37/53/509593753.db2.gz FYXFWWQCYNYCBS-CYBMUJFWSA-N 1 2 357.414 2.925 20 5 FFBDLO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000183116983 509608142 /nfs/dbraw/zinc/60/81/42/509608142.db2.gz MTUWMVOSKSQXQB-GFCCVEGCSA-N 1 2 368.390 2.681 20 5 FFBDLO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000179914062 509670600 /nfs/dbraw/zinc/67/06/00/509670600.db2.gz DJZORTXKXBBEJH-LBPRGKRZSA-N 1 2 373.384 2.982 20 5 FFBDLO C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C[C@H]1n1cc[nH+]c1 ZINC000268257722 509838108 /nfs/dbraw/zinc/83/81/08/509838108.db2.gz LRYCIRQUSNODIA-SUMWQHHRSA-N 1 2 371.397 2.835 20 5 FFBDLO CC(C)CO[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000268288488 509853189 /nfs/dbraw/zinc/85/31/89/509853189.db2.gz UHSXWZWKYKGANV-OAHLLOKOSA-N 1 2 358.398 2.668 20 5 FFBDLO C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc([N+](=O)[O-])cc3)c[nH+]2)CCO1 ZINC000193316237 509863365 /nfs/dbraw/zinc/86/33/65/509863365.db2.gz CQGFQVFKONTEMM-ZDUSSCGKSA-N 1 2 371.397 2.537 20 5 FFBDLO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2nnc3ccccn32)cccc1[N+](=O)[O-] ZINC000193323230 509866368 /nfs/dbraw/zinc/86/63/68/509866368.db2.gz CVTPEPPMDGQIJP-STQMWFEESA-N 1 2 368.397 2.624 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000177207772 509937873 /nfs/dbraw/zinc/93/78/73/509937873.db2.gz CEXUTQPLLWMSGW-GOEBONIOSA-N 1 2 365.455 2.902 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000177207772 509937881 /nfs/dbraw/zinc/93/78/81/509937881.db2.gz CEXUTQPLLWMSGW-GOEBONIOSA-N 1 2 365.455 2.902 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c([N+](=O)[O-])c1 ZINC000193583354 509976375 /nfs/dbraw/zinc/97/63/75/509976375.db2.gz KLXQCKMRKOYYJG-STQMWFEESA-N 1 2 373.413 2.533 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c([N+](=O)[O-])c1 ZINC000193583354 509976383 /nfs/dbraw/zinc/97/63/83/509976383.db2.gz KLXQCKMRKOYYJG-STQMWFEESA-N 1 2 373.413 2.533 20 5 FFBDLO Cc1nn(C)c2ncc(C[NH+]3CCN(c4ccccc4[N+](=O)[O-])CC3)cc12 ZINC000261371850 509987171 /nfs/dbraw/zinc/98/71/71/509987171.db2.gz RORPVBRAPLMFFZ-UHFFFAOYSA-N 1 2 366.425 2.507 20 5 FFBDLO CCOCCOCCN(C)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000190255327 510028620 /nfs/dbraw/zinc/02/86/20/510028620.db2.gz HPKQZTILODOCAF-UHFFFAOYSA-N 1 2 360.414 2.850 20 5 FFBDLO Cc1cc(N2CC[S@](=O)[C@H](C)[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000265664907 510163979 /nfs/dbraw/zinc/16/39/79/510163979.db2.gz YBJMQZHQZKKQNY-YGCGCYASSA-N 1 2 360.439 2.706 20 5 FFBDLO COc1cc(C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000184309812 510253272 /nfs/dbraw/zinc/25/32/72/510253272.db2.gz YWPFEMOTBVNEAN-ODCWNRFASA-N 1 2 366.414 2.952 20 5 FFBDLO Cc1nc(N2CCN(C(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)cc[nH+]1 ZINC000190742560 510320760 /nfs/dbraw/zinc/32/07/60/510320760.db2.gz CZWFONPNOOGBKI-UHFFFAOYSA-N 1 2 369.425 2.779 20 5 FFBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269303570 510332825 /nfs/dbraw/zinc/33/28/25/510332825.db2.gz CWLNVNUTDFIFKR-UHFFFAOYSA-N 1 2 356.386 2.529 20 5 FFBDLO C[C@@H](c1cccnc1)N1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000265976807 510335320 /nfs/dbraw/zinc/33/53/20/510335320.db2.gz CBLWPFRAHHJDQF-INIZCTEOSA-N 1 2 356.426 2.747 20 5 FFBDLO CC(C)c1n[nH]c(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000269430152 510403693 /nfs/dbraw/zinc/40/36/93/510403693.db2.gz ZNJORUXPGBPYBA-UHFFFAOYSA-N 1 2 372.429 2.757 20 5 FFBDLO CN(C)c1ccc(CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)c[nH+]1 ZINC000266129500 510423913 /nfs/dbraw/zinc/42/39/13/510423913.db2.gz OEICNUHETQJRBH-UHFFFAOYSA-N 1 2 357.370 2.625 20 5 FFBDLO CN(C(=O)C[N@@H+]1CC2(CCCC2)OC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000190960976 510437408 /nfs/dbraw/zinc/43/74/08/510437408.db2.gz OTCYNXGUZMELHS-UHFFFAOYSA-N 1 2 361.442 2.981 20 5 FFBDLO CN(C(=O)C[N@H+]1CC2(CCCC2)OC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000190960976 510437417 /nfs/dbraw/zinc/43/74/17/510437417.db2.gz OTCYNXGUZMELHS-UHFFFAOYSA-N 1 2 361.442 2.981 20 5 FFBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)c1 ZINC000246372663 510452053 /nfs/dbraw/zinc/45/20/53/510452053.db2.gz YTBMZQFMISNCOJ-ZWKOTPCHSA-N 1 2 364.348 2.980 20 5 FFBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)c1 ZINC000246372663 510452056 /nfs/dbraw/zinc/45/20/56/510452056.db2.gz YTBMZQFMISNCOJ-ZWKOTPCHSA-N 1 2 364.348 2.980 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ncc(C)s1 ZINC000184994554 510622641 /nfs/dbraw/zinc/62/26/41/510622641.db2.gz XDINVBJVNXMSEH-JTQLQIEISA-N 1 2 350.400 2.658 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3nccn3-c3ccccc3)C2)nc1 ZINC000191383910 510632750 /nfs/dbraw/zinc/63/27/50/510632750.db2.gz DXLDAFIMGSFHCI-OAHLLOKOSA-N 1 2 364.409 2.862 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3nccn3-c3ccccc3)C2)nc1 ZINC000191383910 510632757 /nfs/dbraw/zinc/63/27/57/510632757.db2.gz DXLDAFIMGSFHCI-OAHLLOKOSA-N 1 2 364.409 2.862 20 5 FFBDLO Cc1n[nH]c(C(=O)N2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)c1[N+](=O)[O-] ZINC000270024865 510643056 /nfs/dbraw/zinc/64/30/56/510643056.db2.gz AHIWMTFDBZPYSQ-ZDUSSCGKSA-N 1 2 368.397 2.589 20 5 FFBDLO Cc1[nH]nc(C(=O)N2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)c1[N+](=O)[O-] ZINC000270024865 510643066 /nfs/dbraw/zinc/64/30/66/510643066.db2.gz AHIWMTFDBZPYSQ-ZDUSSCGKSA-N 1 2 368.397 2.589 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC000185152281 510715717 /nfs/dbraw/zinc/71/57/17/510715717.db2.gz KZFMRFLLBTWOQG-LLVKDONJSA-N 1 2 361.402 2.873 20 5 FFBDLO C[N@H+](CCOc1cccc(S(C)(=O)=O)c1)Cc1ccccc1[N+](=O)[O-] ZINC000172526420 510771442 /nfs/dbraw/zinc/77/14/42/510771442.db2.gz LBJJXOYBKGEEEN-UHFFFAOYSA-N 1 2 364.423 2.509 20 5 FFBDLO C[N@@H+](CCOc1cccc(S(C)(=O)=O)c1)Cc1ccccc1[N+](=O)[O-] ZINC000172526420 510771450 /nfs/dbraw/zinc/77/14/50/510771450.db2.gz LBJJXOYBKGEEEN-UHFFFAOYSA-N 1 2 364.423 2.509 20 5 FFBDLO O=C(NCCn1cc[nH+]c1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000195306114 510775761 /nfs/dbraw/zinc/77/57/61/510775761.db2.gz ZCCPAUBRMHOEHM-UHFFFAOYSA-N 1 2 366.377 2.800 20 5 FFBDLO CC(=O)N1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C(C)(C)C1 ZINC000182207554 510814263 /nfs/dbraw/zinc/81/42/63/510814263.db2.gz LJZMONCCSYOCCB-UHFFFAOYSA-N 1 2 358.398 2.693 20 5 FFBDLO CC(=O)N1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C(C)(C)C1 ZINC000182207554 510814266 /nfs/dbraw/zinc/81/42/66/510814266.db2.gz LJZMONCCSYOCCB-UHFFFAOYSA-N 1 2 358.398 2.693 20 5 FFBDLO C[N@H+](CCc1ccc(F)cc1)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182221059 510819813 /nfs/dbraw/zinc/81/98/13/510819813.db2.gz DKFQJJVMCBYMPW-UHFFFAOYSA-N 1 2 366.414 2.682 20 5 FFBDLO C[N@@H+](CCc1ccc(F)cc1)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182221059 510819816 /nfs/dbraw/zinc/81/98/16/510819816.db2.gz DKFQJJVMCBYMPW-UHFFFAOYSA-N 1 2 366.414 2.682 20 5 FFBDLO CC(C)[C@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000271326110 511164353 /nfs/dbraw/zinc/16/43/53/511164353.db2.gz AAOLIGKAKMXHAU-RHSMWYFYSA-N 1 2 358.398 2.714 20 5 FFBDLO CCOc1cc(C[N@@H+]2CCO[C@@H]3CC[C@H](OC)C[C@H]32)ccc1[N+](=O)[O-] ZINC000365189688 511308042 /nfs/dbraw/zinc/30/80/42/511308042.db2.gz LJHMSWFYJUNLAE-USXIJHARSA-N 1 2 350.415 2.762 20 5 FFBDLO CCOc1cc(C[N@H+]2CCO[C@@H]3CC[C@H](OC)C[C@H]32)ccc1[N+](=O)[O-] ZINC000365189688 511308045 /nfs/dbraw/zinc/30/80/45/511308045.db2.gz LJHMSWFYJUNLAE-USXIJHARSA-N 1 2 350.415 2.762 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000271877807 511355582 /nfs/dbraw/zinc/35/55/82/511355582.db2.gz FPMGKMASSQVZDO-UHFFFAOYSA-N 1 2 365.393 2.561 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1(C)C ZINC000295975553 511574775 /nfs/dbraw/zinc/57/47/75/511574775.db2.gz SUBAMDQNTIEAPF-CYBMUJFWSA-N 1 2 372.410 2.556 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000284389394 511704977 /nfs/dbraw/zinc/70/49/77/511704977.db2.gz MQAKADLGLAIRQM-DYVFJYSZSA-N 1 2 358.398 2.913 20 5 FFBDLO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000292815366 511730153 /nfs/dbraw/zinc/73/01/53/511730153.db2.gz NNIIDMWAJLRICW-GFCCVEGCSA-N 1 2 366.361 2.623 20 5 FFBDLO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000292815366 511730157 /nfs/dbraw/zinc/73/01/57/511730157.db2.gz NNIIDMWAJLRICW-GFCCVEGCSA-N 1 2 366.361 2.623 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000285167579 512023902 /nfs/dbraw/zinc/02/39/02/512023902.db2.gz AXEVMMKELIJJOJ-SFHVURJKSA-N 1 2 350.415 2.763 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000285167579 512023906 /nfs/dbraw/zinc/02/39/06/512023906.db2.gz AXEVMMKELIJJOJ-SFHVURJKSA-N 1 2 350.415 2.763 20 5 FFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCOC3(CCOCC3)CC2)c1 ZINC000364233353 512035107 /nfs/dbraw/zinc/03/51/07/512035107.db2.gz AICFAIQSOYDOFH-UHFFFAOYSA-N 1 2 372.368 2.968 20 5 FFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCOC3(CCOCC3)CC2)c1 ZINC000364233353 512035113 /nfs/dbraw/zinc/03/51/13/512035113.db2.gz AICFAIQSOYDOFH-UHFFFAOYSA-N 1 2 372.368 2.968 20 5 FFBDLO CC[C@@H]1C[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000373815542 512519142 /nfs/dbraw/zinc/51/91/42/512519142.db2.gz QLXFIJJSASSXTA-CXAGYDPISA-N 1 2 354.378 2.512 20 5 FFBDLO CC[C@@H]1C[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000373815542 512519145 /nfs/dbraw/zinc/51/91/45/512519145.db2.gz QLXFIJJSASSXTA-CXAGYDPISA-N 1 2 354.378 2.512 20 5 FFBDLO CC(C)Oc1cc(C(=O)NCCc2cn3c([nH+]2)CCCC3)ccc1[N+](=O)[O-] ZINC000411333245 512584484 /nfs/dbraw/zinc/58/44/84/512584484.db2.gz WOJSNQSZWCAZBT-UHFFFAOYSA-N 1 2 372.425 2.887 20 5 FFBDLO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CC1 ZINC000368375280 512920106 /nfs/dbraw/zinc/92/01/06/512920106.db2.gz UAZBQSCRHQRTAO-UHFFFAOYSA-N 1 2 356.382 2.859 20 5 FFBDLO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000398049527 512953996 /nfs/dbraw/zinc/95/39/96/512953996.db2.gz CRVUMRCUPZTSFS-YOEHRIQHSA-N 1 2 369.421 2.941 20 5 FFBDLO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000398049527 512954000 /nfs/dbraw/zinc/95/40/00/512954000.db2.gz CRVUMRCUPZTSFS-YOEHRIQHSA-N 1 2 369.421 2.941 20 5 FFBDLO COC(=O)c1cc(C)nc(NC2CCN(c3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000368503524 512978579 /nfs/dbraw/zinc/97/85/79/512978579.db2.gz LUYJULSIKSMXNL-UHFFFAOYSA-N 1 2 371.397 2.561 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2csc(N3CCN(Cc4[nH]cc[nH+]4)CC3)n2)cc1 ZINC000450328633 513146252 /nfs/dbraw/zinc/14/62/52/513146252.db2.gz IBORMDJZDIOCEE-UHFFFAOYSA-N 1 2 370.438 2.764 20 5 FFBDLO CO[C@@](C)([C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000412580119 513172530 /nfs/dbraw/zinc/17/25/30/513172530.db2.gz DIKCQZBJSKDYNA-XIKOKIGWSA-N 1 2 358.398 2.714 20 5 FFBDLO CC1(C)C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C(C)(C)O1 ZINC000450466539 513209412 /nfs/dbraw/zinc/20/94/12/513209412.db2.gz JGXHMNFWPUVYOV-OAHLLOKOSA-N 1 2 358.398 2.856 20 5 FFBDLO CCOc1ccc2c(c1)CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000441072404 513475507 /nfs/dbraw/zinc/47/55/07/513475507.db2.gz YLADYWIRVMVSTA-UHFFFAOYSA-N 1 2 355.394 2.990 20 5 FFBDLO CCOc1ccc2c(c1)CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000441072404 513475513 /nfs/dbraw/zinc/47/55/13/513475513.db2.gz YLADYWIRVMVSTA-UHFFFAOYSA-N 1 2 355.394 2.990 20 5 FFBDLO CC(C)(C(=O)N1CC[NH+](Cc2ccccn2)CC1)c1ccccc1[N+](=O)[O-] ZINC000429911210 513495133 /nfs/dbraw/zinc/49/51/33/513495133.db2.gz RMLHXXBLZRPZJW-UHFFFAOYSA-N 1 2 368.437 2.612 20 5 FFBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2ccc([N+](=O)[O-])n2C)c(C)c1 ZINC000441484440 513578391 /nfs/dbraw/zinc/57/83/91/513578391.db2.gz FXIFUAMPMWRZNI-MRXNPFEDSA-N 1 2 367.409 2.918 20 5 FFBDLO CC[C@@H](C)[C@@](C)(O)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447818702 513581677 /nfs/dbraw/zinc/58/16/77/513581677.db2.gz YJWXHNJRXVVLPI-KDOFPFPSSA-N 1 2 351.447 2.636 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC[C@@H]1CCC(=O)OC(C)(C)C ZINC000425483782 513590887 /nfs/dbraw/zinc/59/08/87/513590887.db2.gz UYACZTVNUUKFLV-CYBMUJFWSA-N 1 2 352.435 2.805 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC[C@@H]1CCC(=O)OC(C)(C)C ZINC000425483782 513590892 /nfs/dbraw/zinc/59/08/92/513590892.db2.gz UYACZTVNUUKFLV-CYBMUJFWSA-N 1 2 352.435 2.805 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000447846880 513597106 /nfs/dbraw/zinc/59/71/06/513597106.db2.gz XZDJWFVCMRYITC-PMUMKWKESA-N 1 2 350.415 2.762 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000447846880 513597115 /nfs/dbraw/zinc/59/71/15/513597115.db2.gz XZDJWFVCMRYITC-PMUMKWKESA-N 1 2 350.415 2.762 20 5 FFBDLO CCNC(=O)[C@H]1Cc2ccccc2C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000425539516 513627975 /nfs/dbraw/zinc/62/79/75/513627975.db2.gz MVCKKMVRPVAIOC-LJQANCHMSA-N 1 2 369.421 2.537 20 5 FFBDLO CCNC(=O)[C@H]1Cc2ccccc2C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000425539516 513627977 /nfs/dbraw/zinc/62/79/77/513627977.db2.gz MVCKKMVRPVAIOC-LJQANCHMSA-N 1 2 369.421 2.537 20 5 FFBDLO COc1cccc(N2CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000418955264 513703253 /nfs/dbraw/zinc/70/32/53/513703253.db2.gz XKFMYWXSWGFBQX-GOSISDBHSA-N 1 2 365.430 2.504 20 5 FFBDLO CO[C@@H](CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])CC(C)C ZINC000418999747 513712812 /nfs/dbraw/zinc/71/28/12/513712812.db2.gz XFQRTJQHHKXVAT-MRXNPFEDSA-N 1 2 351.447 2.900 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)c1 ZINC000451551194 513828386 /nfs/dbraw/zinc/82/83/86/513828386.db2.gz TTWRNWOMXVXJQW-AWEZNQCLSA-N 1 2 352.416 2.610 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCCC[C@H]1c1cc[nH]n1 ZINC000451684444 513909413 /nfs/dbraw/zinc/90/94/13/513909413.db2.gz XPPBPIGUKNNDDP-HNNXBMFYSA-N 1 2 366.381 2.871 20 5 FFBDLO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC000436861589 514012925 /nfs/dbraw/zinc/01/29/25/514012925.db2.gz LLDPWJUQRHEBQH-QGZVFWFLSA-N 1 2 355.394 2.867 20 5 FFBDLO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436876002 514017678 /nfs/dbraw/zinc/01/76/78/514017678.db2.gz ZWDLVRQTOBVESC-KBXCAEBGSA-N 1 2 369.421 2.941 20 5 FFBDLO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436876002 514017685 /nfs/dbraw/zinc/01/76/85/514017685.db2.gz ZWDLVRQTOBVESC-KBXCAEBGSA-N 1 2 369.421 2.941 20 5 FFBDLO COC1CCC(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000426856294 514060331 /nfs/dbraw/zinc/06/03/31/514060331.db2.gz KMPRQEMGBAJQAU-UHFFFAOYSA-N 1 2 358.398 2.716 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@]3(CCSC3)C2)cc1 ZINC000451979513 514107621 /nfs/dbraw/zinc/10/76/21/514107621.db2.gz QCMNSRDDYXUHSI-MRXNPFEDSA-N 1 2 370.496 2.588 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@]3(CCSC3)C2)cc1 ZINC000451979513 514107624 /nfs/dbraw/zinc/10/76/24/514107624.db2.gz QCMNSRDDYXUHSI-MRXNPFEDSA-N 1 2 370.496 2.588 20 5 FFBDLO Cc1cc(N(CCO)Cc2cccnc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000427395944 514202238 /nfs/dbraw/zinc/20/22/38/514202238.db2.gz RBCSYCTWRZJVLD-UHFFFAOYSA-N 1 2 365.393 2.754 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000452173765 514230051 /nfs/dbraw/zinc/23/00/51/514230051.db2.gz ZZUHUPUBMUUZPR-HKUYNNGSSA-N 1 2 368.393 2.564 20 5 FFBDLO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444640048 514281592 /nfs/dbraw/zinc/28/15/92/514281592.db2.gz AZDLTVDDZWPGSF-CYBMUJFWSA-N 1 2 373.457 2.845 20 5 FFBDLO CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444640048 514281599 /nfs/dbraw/zinc/28/15/99/514281599.db2.gz AZDLTVDDZWPGSF-CYBMUJFWSA-N 1 2 373.457 2.845 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCCC[C@@H]3[C@H](O)C(F)(F)F)nc2c1 ZINC000444658827 514286713 /nfs/dbraw/zinc/28/67/13/514286713.db2.gz GKLLGSMPCKPWQS-OCCSQVGLSA-N 1 2 358.320 2.749 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCCC[C@@H]3[C@H](O)C(F)(F)F)nc2c1 ZINC000444658827 514286720 /nfs/dbraw/zinc/28/67/20/514286720.db2.gz GKLLGSMPCKPWQS-OCCSQVGLSA-N 1 2 358.320 2.749 20 5 FFBDLO Cc1noc(C2(C)CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)n1 ZINC000444687544 514292554 /nfs/dbraw/zinc/29/25/54/514292554.db2.gz GTAAFVOILFMRDD-UHFFFAOYSA-N 1 2 356.386 2.716 20 5 FFBDLO C[NH+](C)CCc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000438245809 514337836 /nfs/dbraw/zinc/33/78/36/514337836.db2.gz JNZVFIBVNOKVQJ-UHFFFAOYSA-N 1 2 367.402 2.639 20 5 FFBDLO Cc1cccc(C[NH+]2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)c1 ZINC000427925187 514347315 /nfs/dbraw/zinc/34/73/15/514347315.db2.gz MNFVXHHKFNSIFX-UHFFFAOYSA-N 1 2 355.394 2.567 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCn2c(nnc2C2CCCC2)C1 ZINC000428258279 514434642 /nfs/dbraw/zinc/43/46/42/514434642.db2.gz WHUHUCMXGMZLOV-UHFFFAOYSA-N 1 2 357.414 2.868 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCn2c(nnc2C2CCCC2)C1 ZINC000428258279 514434649 /nfs/dbraw/zinc/43/46/49/514434649.db2.gz WHUHUCMXGMZLOV-UHFFFAOYSA-N 1 2 357.414 2.868 20 5 FFBDLO CCCc1nc(C)c(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000428374415 514460387 /nfs/dbraw/zinc/46/03/87/514460387.db2.gz PXSLYMITHIJUJX-UHFFFAOYSA-N 1 2 372.425 2.802 20 5 FFBDLO CC(C)CO[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450113629 514500596 /nfs/dbraw/zinc/50/05/96/514500596.db2.gz LOSMDRKWULAHKL-HNNXBMFYSA-N 1 2 358.398 2.668 20 5 FFBDLO O=C(NCCC[C@@H]1CCCC[C@H]1O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450174346 514521864 /nfs/dbraw/zinc/52/18/64/514521864.db2.gz SSFNXPKOXYHEIB-KBXCAEBGSA-N 1 2 372.425 2.842 20 5 FFBDLO COc1c(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cccc1[N+](=O)[O-] ZINC000475116120 514562406 /nfs/dbraw/zinc/56/24/06/514562406.db2.gz ITRFEBNVUBLRHF-UHFFFAOYSA-N 1 2 371.393 2.688 20 5 FFBDLO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](CO)c1ccccc1 ZINC000479620302 514659221 /nfs/dbraw/zinc/65/92/21/514659221.db2.gz QTEMKHIPGSTJLL-MRXNPFEDSA-N 1 2 354.366 2.810 20 5 FFBDLO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](CO)c1ccccc1 ZINC000479620302 514659230 /nfs/dbraw/zinc/65/92/30/514659230.db2.gz QTEMKHIPGSTJLL-MRXNPFEDSA-N 1 2 354.366 2.810 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000484518528 514673534 /nfs/dbraw/zinc/67/35/34/514673534.db2.gz WCLSAVVPQMZWNY-HNNXBMFYSA-N 1 2 359.386 3.000 20 5 FFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(Oc2ccccn2)CC1 ZINC000471149418 514772494 /nfs/dbraw/zinc/77/24/94/514772494.db2.gz VGKIYSVOZFKEDL-AWEZNQCLSA-N 1 2 370.409 2.860 20 5 FFBDLO Cc1cc(F)cc2c1C[N@H+](CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000502901584 514836002 /nfs/dbraw/zinc/83/60/02/514836002.db2.gz BCOHWQGPKUNNNI-UHFFFAOYSA-N 1 2 369.396 2.990 20 5 FFBDLO Cc1cc(F)cc2c1C[N@@H+](CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000502901584 514836010 /nfs/dbraw/zinc/83/60/10/514836010.db2.gz BCOHWQGPKUNNNI-UHFFFAOYSA-N 1 2 369.396 2.990 20 5 FFBDLO Cc1cc(C)c(NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(C)[nH+]1 ZINC000466997559 514856131 /nfs/dbraw/zinc/85/61/31/514856131.db2.gz FKCANXXDLYVRNM-UHFFFAOYSA-N 1 2 357.366 2.867 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(N(C)C[C@@H]2C[C@H](F)C[N@@H+]2Cc2ccnn2C)c1 ZINC000480223454 514887113 /nfs/dbraw/zinc/88/71/13/514887113.db2.gz XBTQDFRSRUMRJI-HOCLYGCPSA-N 1 2 361.421 2.686 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(N(C)C[C@@H]2C[C@H](F)C[N@H+]2Cc2ccnn2C)c1 ZINC000480223454 514887121 /nfs/dbraw/zinc/88/71/21/514887121.db2.gz XBTQDFRSRUMRJI-HOCLYGCPSA-N 1 2 361.421 2.686 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NCc1ncnn1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000503029098 514888490 /nfs/dbraw/zinc/88/84/90/514888490.db2.gz CPRVRKWEBYHWSH-MRXNPFEDSA-N 1 2 369.429 2.554 20 5 FFBDLO Cc1[nH]c2ccc(Cn3nc(-c4ccc([N+](=O)[O-])cc4)oc3=O)cc2[nH+]1 ZINC000467203834 514938590 /nfs/dbraw/zinc/93/85/90/514938590.db2.gz ZFQWBRXELLFEHY-UHFFFAOYSA-N 1 2 351.322 2.645 20 5 FFBDLO Cc1[nH]c2cc(Cn3nc(-c4ccc([N+](=O)[O-])cc4)oc3=O)ccc2[nH+]1 ZINC000467203834 514938600 /nfs/dbraw/zinc/93/86/00/514938600.db2.gz ZFQWBRXELLFEHY-UHFFFAOYSA-N 1 2 351.322 2.645 20 5 FFBDLO CCc1cc(N[C@@H]2CCc3c[nH]nc3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000467433434 515005221 /nfs/dbraw/zinc/00/52/21/515005221.db2.gz JCLRXDUARLTCQP-OAHLLOKOSA-N 1 2 364.409 2.729 20 5 FFBDLO CCc1ccc(C(=O)NCc2[nH+]ccn2CC(F)(F)F)cc1[N+](=O)[O-] ZINC000471866021 515038054 /nfs/dbraw/zinc/03/80/54/515038054.db2.gz PIGRNLUMJNYECY-UHFFFAOYSA-N 1 2 356.304 2.846 20 5 FFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000456336673 515104973 /nfs/dbraw/zinc/10/49/73/515104973.db2.gz AVLVNBOSEMKIQV-SECBINFHSA-N 1 2 354.313 2.904 20 5 FFBDLO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)cc1SC ZINC000456401757 515159864 /nfs/dbraw/zinc/15/98/64/515159864.db2.gz WAIFMNAOLJCFCE-ONGXEEELSA-N 1 2 362.411 2.958 20 5 FFBDLO Cc1cc(NCCCC(=O)OC(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000462696621 515195167 /nfs/dbraw/zinc/19/51/67/515195167.db2.gz AXAKIMOKISVYIA-UHFFFAOYSA-N 1 2 358.398 2.926 20 5 FFBDLO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2Nc2ccc(N3CCOCC3)c[nH+]2)n1 ZINC000472626211 515342803 /nfs/dbraw/zinc/34/28/03/515342803.db2.gz BZGQHBOWHSSXHL-HZPDHXFCSA-N 1 2 372.429 2.619 20 5 FFBDLO Cc1[nH+]c2cc(NC(=O)Cc3cccc([N+](=O)[O-])c3)ccc2n1[C@H](C)CO ZINC000456703936 515365889 /nfs/dbraw/zinc/36/58/89/515365889.db2.gz HOYOCSLMXSINDL-GFCCVEGCSA-N 1 2 368.393 2.987 20 5 FFBDLO CC(C)(C)c1ccc(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000499721130 515426562 /nfs/dbraw/zinc/42/65/62/515426562.db2.gz AWOWHOPTCONMFY-UHFFFAOYSA-N 1 2 371.441 2.573 20 5 FFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1cnn(CC[NH+]2CCOCC2)c1 ZINC000468594663 515428080 /nfs/dbraw/zinc/42/80/80/515428080.db2.gz GYIDCNGPWXVLAL-LFIBNONCSA-N 1 2 371.441 2.639 20 5 FFBDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000468747936 515502182 /nfs/dbraw/zinc/50/21/82/515502182.db2.gz GIWQEKISKUSUHH-UHFFFAOYSA-N 1 2 365.393 2.694 20 5 FFBDLO C[C@@H](c1nccs1)[NH+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000463738094 515596877 /nfs/dbraw/zinc/59/68/77/515596877.db2.gz OVSHOBLMQDYBIO-LBPRGKRZSA-N 1 2 370.438 2.878 20 5 FFBDLO Cc1c(C[N@@H+]2CCN(C(=O)c3cscn3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000459531247 515623556 /nfs/dbraw/zinc/62/35/56/515623556.db2.gz ZUXCGDRAXWNXED-LBPRGKRZSA-N 1 2 360.439 2.706 20 5 FFBDLO Cc1c(C[N@H+]2CCN(C(=O)c3cscn3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000459531247 515623567 /nfs/dbraw/zinc/62/35/67/515623567.db2.gz ZUXCGDRAXWNXED-LBPRGKRZSA-N 1 2 360.439 2.706 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCC[C@@H]1c1ccnn1C ZINC000500439336 515710167 /nfs/dbraw/zinc/71/01/67/515710167.db2.gz JDBUNYQQKSGVAE-QGZVFWFLSA-N 1 2 357.414 2.802 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCC[C@@H]1c1ccnn1C ZINC000500439336 515710172 /nfs/dbraw/zinc/71/01/72/515710172.db2.gz JDBUNYQQKSGVAE-QGZVFWFLSA-N 1 2 357.414 2.802 20 5 FFBDLO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000469234083 515734293 /nfs/dbraw/zinc/73/42/93/515734293.db2.gz BLGPBEDVTIIDOT-CQSZACIVSA-N 1 2 352.350 2.765 20 5 FFBDLO Cc1cc(NC(=O)NCc2[nH+]ccn2CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000473791283 515752686 /nfs/dbraw/zinc/75/26/86/515752686.db2.gz YDBQSULLMWHVHC-UHFFFAOYSA-N 1 2 357.292 2.984 20 5 FFBDLO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C)C(F)(F)C2)c([N+](=O)[O-])c1 ZINC000494285535 515795280 /nfs/dbraw/zinc/79/52/80/515795280.db2.gz QJLDDEDYZCNDNR-LLVKDONJSA-N 1 2 357.357 2.909 20 5 FFBDLO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](C)C(F)(F)C2)c([N+](=O)[O-])c1 ZINC000494285535 515795288 /nfs/dbraw/zinc/79/52/88/515795288.db2.gz QJLDDEDYZCNDNR-LLVKDONJSA-N 1 2 357.357 2.909 20 5 FFBDLO CC(C)c1ncc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cn1 ZINC000478648420 515907299 /nfs/dbraw/zinc/90/72/99/515907299.db2.gz BSEBJRGVOROHNV-UHFFFAOYSA-N 1 2 352.354 2.946 20 5 FFBDLO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000494645135 515908861 /nfs/dbraw/zinc/90/88/61/515908861.db2.gz FTUUHJDUPCJALR-VXGBXAGGSA-N 1 2 356.806 2.791 20 5 FFBDLO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000494645135 515908870 /nfs/dbraw/zinc/90/88/70/515908870.db2.gz FTUUHJDUPCJALR-VXGBXAGGSA-N 1 2 356.806 2.791 20 5 FFBDLO CC[C@@H]1C[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@H](CC)CN1C(C)=O ZINC000464686624 515922896 /nfs/dbraw/zinc/92/28/96/515922896.db2.gz BRWSRHGZEBHMCP-HUUCEWRRSA-N 1 2 367.421 2.964 20 5 FFBDLO CC[C@@H]1C[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@H](CC)CN1C(C)=O ZINC000464686624 515922908 /nfs/dbraw/zinc/92/29/08/515922908.db2.gz BRWSRHGZEBHMCP-HUUCEWRRSA-N 1 2 367.421 2.964 20 5 FFBDLO CCc1cc(NCC(C)(C)C(=O)OC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000465051371 516051309 /nfs/dbraw/zinc/05/13/09/516051309.db2.gz QXLUBACHLWLUJT-UHFFFAOYSA-N 1 2 358.398 2.647 20 5 FFBDLO CCc1c[nH+]ccc1NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000511901176 516073523 /nfs/dbraw/zinc/07/35/23/516073523.db2.gz NBJSNEXLOPXIAQ-UHFFFAOYSA-N 1 2 351.366 2.627 20 5 FFBDLO O=C(NCc1[nH+]ccn1CC(F)(F)F)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470139879 516139987 /nfs/dbraw/zinc/13/99/87/516139987.db2.gz GHMPFOHSPFJNKL-UHFFFAOYSA-N 1 2 361.255 2.814 20 5 FFBDLO Cc1cc(NCC[C@H](O)C(F)(F)F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000512412174 516268915 /nfs/dbraw/zinc/26/89/15/516268915.db2.gz SFDAYJIDUZHLQP-LBPRGKRZSA-N 1 2 356.304 2.507 20 5 FFBDLO COc1c(C)c[nH+]c(CN(C)C(=O)NCCc2cccc([N+](=O)[O-])c2)c1C ZINC000535432929 516353169 /nfs/dbraw/zinc/35/31/69/516353169.db2.gz QRMBVVSEFONGEQ-UHFFFAOYSA-N 1 2 372.425 2.999 20 5 FFBDLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000557714210 516400070 /nfs/dbraw/zinc/40/00/70/516400070.db2.gz IGWIFBNVFZRGNA-UHFFFAOYSA-N 1 2 362.349 2.968 20 5 FFBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000554745249 516616086 /nfs/dbraw/zinc/61/60/86/516616086.db2.gz FWRFBYJPMIDXBA-UHFFFAOYSA-N 1 2 364.352 2.607 20 5 FFBDLO CCOc1cc(N2CC[NH+](Cc3cncc(OC)c3)CC2)ccc1[N+](=O)[O-] ZINC000558164081 516623542 /nfs/dbraw/zinc/62/35/42/516623542.db2.gz OYFYPXCOSAGHMM-UHFFFAOYSA-N 1 2 372.425 2.719 20 5 FFBDLO Cc1cc[nH+]cc1N1CCN(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000544353541 516720921 /nfs/dbraw/zinc/72/09/21/516720921.db2.gz LQPOBTLZQNEDPC-HNNXBMFYSA-N 1 2 369.425 2.891 20 5 FFBDLO Cc1nc(CC[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c(C)o1 ZINC000513702298 516724522 /nfs/dbraw/zinc/72/45/22/516724522.db2.gz HNOIYKJXRXKZSD-KRWDZBQOSA-N 1 2 355.398 2.855 20 5 FFBDLO CN(C)c1[nH+]cccc1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000513731494 516733485 /nfs/dbraw/zinc/73/34/85/516733485.db2.gz WTERYGQQOPLYNJ-UHFFFAOYSA-N 1 2 366.324 2.587 20 5 FFBDLO O=C(CN1CCC(Nc2cccc[nH+]2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000536368643 516737842 /nfs/dbraw/zinc/73/78/42/516737842.db2.gz HHLMEFTVTQKKAY-UHFFFAOYSA-N 1 2 355.398 2.505 20 5 FFBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000544637178 516847523 /nfs/dbraw/zinc/84/75/23/516847523.db2.gz NYGIKCBHNDQVAO-CYBMUJFWSA-N 1 2 367.471 2.546 20 5 FFBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000544637178 516847530 /nfs/dbraw/zinc/84/75/30/516847530.db2.gz NYGIKCBHNDQVAO-CYBMUJFWSA-N 1 2 367.471 2.546 20 5 FFBDLO COCCO[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000555342024 516890484 /nfs/dbraw/zinc/89/04/84/516890484.db2.gz XIJQVCSFFCLHDH-CQSZACIVSA-N 1 2 360.357 2.824 20 5 FFBDLO COCCO[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000555342024 516890494 /nfs/dbraw/zinc/89/04/94/516890494.db2.gz XIJQVCSFFCLHDH-CQSZACIVSA-N 1 2 360.357 2.824 20 5 FFBDLO CN(C(=O)[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000555500131 516945267 /nfs/dbraw/zinc/94/52/67/516945267.db2.gz DPGKMUMZVSDPBY-AWEZNQCLSA-N 1 2 355.394 2.785 20 5 FFBDLO CN(C(=O)[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000555500131 516945275 /nfs/dbraw/zinc/94/52/75/516945275.db2.gz DPGKMUMZVSDPBY-AWEZNQCLSA-N 1 2 355.394 2.785 20 5 FFBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2c2ccc(Br)cn2)n1 ZINC000555512044 516949344 /nfs/dbraw/zinc/94/93/44/516949344.db2.gz SBQFJVFXIRUIRE-ZDUSSCGKSA-N 1 2 366.219 2.786 20 5 FFBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]2c2ccc(Br)cn2)n1 ZINC000555512044 516949350 /nfs/dbraw/zinc/94/93/50/516949350.db2.gz SBQFJVFXIRUIRE-ZDUSSCGKSA-N 1 2 366.219 2.786 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)ccc1-c1nc([C@@H]2C[N@@H+](C3CC3)CCO2)no1 ZINC000545084672 517046286 /nfs/dbraw/zinc/04/62/86/517046286.db2.gz RGVYJERUXNIPGE-ZDUSSCGKSA-N 1 2 350.762 2.834 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)ccc1-c1nc([C@@H]2C[N@H+](C3CC3)CCO2)no1 ZINC000545084672 517046294 /nfs/dbraw/zinc/04/62/94/517046294.db2.gz RGVYJERUXNIPGE-ZDUSSCGKSA-N 1 2 350.762 2.834 20 5 FFBDLO CC(=O)c1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1O ZINC000552069169 517061388 /nfs/dbraw/zinc/06/13/88/517061388.db2.gz GCYPVFAKXHJSJN-UHFFFAOYSA-N 1 2 366.333 2.941 20 5 FFBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CCCOc2ccccc2)CC1 ZINC000555739690 517095115 /nfs/dbraw/zinc/09/51/15/517095115.db2.gz GZSFFROPATYPPR-UHFFFAOYSA-N 1 2 369.421 2.822 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH+](Cc2ccco2)CC1 ZINC000532768139 517135446 /nfs/dbraw/zinc/13/54/46/517135446.db2.gz SFKNHIWGWIDDNB-UHFFFAOYSA-N 1 2 372.425 2.643 20 5 FFBDLO COc1ccc2c(c1)C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CC2 ZINC000532930271 517207412 /nfs/dbraw/zinc/20/74/12/517207412.db2.gz LWMDFQNPIKMDDF-UHFFFAOYSA-N 1 2 371.393 2.609 20 5 FFBDLO COc1ccc2c(c1)C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CC2 ZINC000532930271 517207420 /nfs/dbraw/zinc/20/74/20/517207420.db2.gz LWMDFQNPIKMDDF-UHFFFAOYSA-N 1 2 371.393 2.609 20 5 FFBDLO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000541927556 517294741 /nfs/dbraw/zinc/29/47/41/517294741.db2.gz DMCYEXUJMHTMAN-GFCCVEGCSA-N 1 2 366.324 2.698 20 5 FFBDLO CC(C)(C(=O)NCc1[nH+]ccn1CC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000559521376 517299756 /nfs/dbraw/zinc/29/97/56/517299756.db2.gz OBUPZNUGKDCUIC-UHFFFAOYSA-N 1 2 370.331 2.948 20 5 FFBDLO C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000537699413 517302198 /nfs/dbraw/zinc/30/21/98/517302198.db2.gz PNGIURSWSJBHKI-MAUKXSAKSA-N 1 2 371.437 2.944 20 5 FFBDLO C[C@H]1CO[C@@H](CO)C[N@H+]1Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000537699413 517302209 /nfs/dbraw/zinc/30/22/09/517302209.db2.gz PNGIURSWSJBHKI-MAUKXSAKSA-N 1 2 371.437 2.944 20 5 FFBDLO C[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](c2ccccc2)O1 ZINC000520386900 517373146 /nfs/dbraw/zinc/37/31/46/517373146.db2.gz HCZWXIWSQMNODG-ZTNFWEORSA-N 1 2 372.421 2.797 20 5 FFBDLO C[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](c2ccccc2)O1 ZINC000520386900 517373151 /nfs/dbraw/zinc/37/31/51/517373151.db2.gz HCZWXIWSQMNODG-ZTNFWEORSA-N 1 2 372.421 2.797 20 5 FFBDLO O=C(C[NH+]1CCC(CCCn2ccnc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000542132003 517397762 /nfs/dbraw/zinc/39/77/62/517397762.db2.gz FUXNQNWZRYRUAE-UHFFFAOYSA-N 1 2 371.441 2.922 20 5 FFBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000549102741 517399448 /nfs/dbraw/zinc/39/94/48/517399448.db2.gz MJAUZHFDIYFQRN-UHFFFAOYSA-N 1 2 353.382 2.627 20 5 FFBDLO Nc1c(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cccc1[N+](=O)[O-] ZINC000542167756 517415850 /nfs/dbraw/zinc/41/58/50/517415850.db2.gz CTTPJHRQUANJJH-UHFFFAOYSA-N 1 2 357.414 2.706 20 5 FFBDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000526996408 517440594 /nfs/dbraw/zinc/44/05/94/517440594.db2.gz HIGVHUIRYJYQSW-CYBMUJFWSA-N 1 2 372.425 2.741 20 5 FFBDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000526996408 517440602 /nfs/dbraw/zinc/44/06/02/517440602.db2.gz HIGVHUIRYJYQSW-CYBMUJFWSA-N 1 2 372.425 2.741 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2[nH+]ccn2CC(F)(F)F)c1 ZINC000549341750 517519453 /nfs/dbraw/zinc/51/94/53/517519453.db2.gz FVYMBEDMYYYCBG-UHFFFAOYSA-N 1 2 372.303 2.682 20 5 FFBDLO Cc1cc(N2CC[NH+](CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000520882346 517542020 /nfs/dbraw/zinc/54/20/20/517542020.db2.gz XGAPHKSQPSIESR-NVXWUHKLSA-N 1 2 374.485 2.720 20 5 FFBDLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000538331771 517570498 /nfs/dbraw/zinc/57/04/98/517570498.db2.gz PILQYIBQCHDNEO-UHFFFAOYSA-N 1 2 362.389 2.971 20 5 FFBDLO Cc1cc(N2CC(OCC(F)F)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000533787288 517610108 /nfs/dbraw/zinc/61/01/08/517610108.db2.gz SYFZKOZPTJYFME-UHFFFAOYSA-N 1 2 350.325 2.831 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)nc1 ZINC000546390747 517663143 /nfs/dbraw/zinc/66/31/43/517663143.db2.gz PHJIWWLSBHKZRQ-MRXNPFEDSA-N 1 2 367.365 2.613 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)nc1 ZINC000546390747 517663155 /nfs/dbraw/zinc/66/31/55/517663155.db2.gz PHJIWWLSBHKZRQ-MRXNPFEDSA-N 1 2 367.365 2.613 20 5 FFBDLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542887197 517798913 /nfs/dbraw/zinc/79/89/13/517798913.db2.gz XNJAJBZCFZBKDU-UHFFFAOYSA-N 1 2 354.313 2.555 20 5 FFBDLO COCC[N@H+](Cc1ccnn1C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000550000927 517820478 /nfs/dbraw/zinc/82/04/78/517820478.db2.gz YLEFYVULPWBEOG-UHFFFAOYSA-N 1 2 372.347 2.996 20 5 FFBDLO COCC[N@@H+](Cc1ccnn1C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000550000927 517820486 /nfs/dbraw/zinc/82/04/86/517820486.db2.gz YLEFYVULPWBEOG-UHFFFAOYSA-N 1 2 372.347 2.996 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+][C@@H](CO)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000560547842 517886661 /nfs/dbraw/zinc/88/66/61/517886661.db2.gz DGXRNXNLLDTHIE-MJGOQNOKSA-N 1 2 366.421 2.611 20 5 FFBDLO CC(C)Oc1nc(NCc2[nH+]ccn2CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000563415450 517891652 /nfs/dbraw/zinc/89/16/52/517891652.db2.gz AJZYBZAEZQKMIG-UHFFFAOYSA-N 1 2 359.308 2.570 20 5 FFBDLO CCC(CC)[C@H](C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000539364307 518010758 /nfs/dbraw/zinc/01/07/58/518010758.db2.gz ZVSYRWRYKAHQQP-KBXCAEBGSA-N 1 2 363.458 2.909 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000575839976 518302656 /nfs/dbraw/zinc/30/26/56/518302656.db2.gz CTVDRSXVHLOIQD-SJLPKXTDSA-N 1 2 359.426 2.875 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000575839976 518302664 /nfs/dbraw/zinc/30/26/64/518302664.db2.gz CTVDRSXVHLOIQD-SJLPKXTDSA-N 1 2 359.426 2.875 20 5 FFBDLO O=C(NCCCCn1cc[nH+]c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000567110300 518356791 /nfs/dbraw/zinc/35/67/91/518356791.db2.gz PJCVERAAJDHXCH-UHFFFAOYSA-N 1 2 357.414 2.946 20 5 FFBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)NCC1CC[NH+](CC(F)F)CC1 ZINC000584479112 518362203 /nfs/dbraw/zinc/36/22/03/518362203.db2.gz MAZNZYSUMXENMR-UHFFFAOYSA-N 1 2 373.425 2.780 20 5 FFBDLO CCOc1cc(N2CCN(c3nc(C)[nH+]cc3C)CC2)ccc1[N+](=O)[O-] ZINC000581737190 518431112 /nfs/dbraw/zinc/43/11/12/518431112.db2.gz ZMDMDUANYGRATP-UHFFFAOYSA-N 1 2 357.414 2.727 20 5 FFBDLO CC(C)OC[C@H](CO)[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000579041676 518492579 /nfs/dbraw/zinc/49/25/79/518492579.db2.gz UAWLJWQVFQYUQI-INIZCTEOSA-N 1 2 365.455 2.936 20 5 FFBDLO CC(C)OC[C@H](CO)[N@@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000579041676 518492588 /nfs/dbraw/zinc/49/25/88/518492588.db2.gz UAWLJWQVFQYUQI-INIZCTEOSA-N 1 2 365.455 2.936 20 5 FFBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000564606486 518522882 /nfs/dbraw/zinc/52/28/82/518522882.db2.gz ORAARYZVQJCUBS-UHFFFAOYSA-N 1 2 358.398 2.724 20 5 FFBDLO CC1(C)C(=O)N[C@@H]1C1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000582070775 518575833 /nfs/dbraw/zinc/57/58/33/518575833.db2.gz XFUJSKZAVZUYOX-OAHLLOKOSA-N 1 2 353.369 2.610 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@H](O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000573351457 518625622 /nfs/dbraw/zinc/62/56/22/518625622.db2.gz LLIMNRVAFOUAAZ-RTBURBONSA-N 1 2 366.421 2.611 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000589300964 518975193 /nfs/dbraw/zinc/97/51/93/518975193.db2.gz XASBMTTWPFHSJW-COXVUDFISA-N 1 2 359.426 2.955 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000589300964 518975200 /nfs/dbraw/zinc/97/52/00/518975200.db2.gz XASBMTTWPFHSJW-COXVUDFISA-N 1 2 359.426 2.955 20 5 FFBDLO C[C@@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000571231946 518990664 /nfs/dbraw/zinc/99/06/64/518990664.db2.gz GQBPTNKKXDBHOK-MRVPVSSYSA-N 1 2 358.276 2.750 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@H]1[C@@H]1CCCOC1 ZINC000580076739 518997020 /nfs/dbraw/zinc/99/70/20/518997020.db2.gz FQMLRXMZFILMJD-CVEARBPZSA-N 1 2 370.409 2.812 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@H](CO)c2ccc(OC)cc2)c1 ZINC000589500097 519019462 /nfs/dbraw/zinc/01/94/62/519019462.db2.gz VDNRIIKEPRBPNN-GOSISDBHSA-N 1 2 374.393 2.555 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@H](CO)c2ccc(OC)cc2)c1 ZINC000589500097 519019468 /nfs/dbraw/zinc/01/94/68/519019468.db2.gz VDNRIIKEPRBPNN-GOSISDBHSA-N 1 2 374.393 2.555 20 5 FFBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000574230909 519051456 /nfs/dbraw/zinc/05/14/56/519051456.db2.gz DMWVESZDINTYSE-GFCCVEGCSA-N 1 2 373.862 2.543 20 5 FFBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000574230909 519051460 /nfs/dbraw/zinc/05/14/60/519051460.db2.gz DMWVESZDINTYSE-GFCCVEGCSA-N 1 2 373.862 2.543 20 5 FFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC[C@]4(CCS(=O)(=O)C4)C3)c2c1 ZINC000577719217 519221137 /nfs/dbraw/zinc/22/11/37/519221137.db2.gz PVDWGGKUNBUTRK-KRWDZBQOSA-N 1 2 361.423 2.548 20 5 FFBDLO COCCc1cc(O)ccc1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000577723380 519224425 /nfs/dbraw/zinc/22/44/25/519224425.db2.gz VMBAULNESHMAQW-UHFFFAOYSA-N 1 2 359.382 2.930 20 5 FFBDLO Cc1n[nH]c(C(=O)N2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)c1[N+](=O)[O-] ZINC000580590875 519253600 /nfs/dbraw/zinc/25/36/00/519253600.db2.gz UYEUXCWEVFFXIN-UHFFFAOYSA-N 1 2 368.397 2.598 20 5 FFBDLO Cc1[nH]nc(C(=O)N2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)c1[N+](=O)[O-] ZINC000580590875 519253606 /nfs/dbraw/zinc/25/36/06/519253606.db2.gz UYEUXCWEVFFXIN-UHFFFAOYSA-N 1 2 368.397 2.598 20 5 FFBDLO COc1cccc2c1C[N@@H+]([C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000590760056 519354473 /nfs/dbraw/zinc/35/44/73/519354473.db2.gz OJLIDEVTZYFGGT-GOSISDBHSA-N 1 2 367.405 2.767 20 5 FFBDLO COc1cccc2c1C[N@H+]([C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000590760056 519354482 /nfs/dbraw/zinc/35/44/82/519354482.db2.gz OJLIDEVTZYFGGT-GOSISDBHSA-N 1 2 367.405 2.767 20 5 FFBDLO COC(=O)c1cnc(N[C@H](c2[nH+]ccn2C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000574951504 519419049 /nfs/dbraw/zinc/41/90/49/519419049.db2.gz SJUXWPNBLPCAHV-HNNXBMFYSA-N 1 2 367.365 2.711 20 5 FFBDLO COc1cc(C(=O)NCC[NH+]2Cc3ccccc3C2)cc([N+](=O)[O-])c1C ZINC000616266991 519960346 /nfs/dbraw/zinc/96/03/46/519960346.db2.gz KQWTXIQGPSNMQU-UHFFFAOYSA-N 1 2 355.394 2.657 20 5 FFBDLO COc1cc(C[N@H+](C)Cc2c[nH]nc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000602945176 519986384 /nfs/dbraw/zinc/98/63/84/519986384.db2.gz XZNPCKCMTYLFOQ-UHFFFAOYSA-N 1 2 370.356 2.911 20 5 FFBDLO COc1cc(C[N@@H+](C)Cc2c[nH]nc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000602945176 519986395 /nfs/dbraw/zinc/98/63/95/519986395.db2.gz XZNPCKCMTYLFOQ-UHFFFAOYSA-N 1 2 370.356 2.911 20 5 FFBDLO CC[NH+](CC)Cc1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000594582677 520037823 /nfs/dbraw/zinc/03/78/23/520037823.db2.gz UGXNNZKZFVBYJM-UHFFFAOYSA-N 1 2 370.456 2.694 20 5 FFBDLO Cc1[nH+]c2cc(CNc3nccc(C(N)=O)c3[N+](=O)[O-])ccc2n1C1CC1 ZINC000594585175 520038767 /nfs/dbraw/zinc/03/87/67/520038767.db2.gz QXDARQDXCFVWLN-UHFFFAOYSA-N 1 2 366.381 2.694 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc([N+](=O)[O-])n1C)c1ccc(Cl)cc1 ZINC000612610421 520049240 /nfs/dbraw/zinc/04/92/40/520049240.db2.gz XDYZRXRGAPLLQA-HNNXBMFYSA-N 1 2 373.800 2.840 20 5 FFBDLO CC[C@@H](C)C[C@H](CO)Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000591983672 520121190 /nfs/dbraw/zinc/12/11/90/520121190.db2.gz WQBLGHIWNDPBIN-GDBMZVCRSA-N 1 2 351.447 2.636 20 5 FFBDLO O=C(Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1)c1ccccc1[N+](=O)[O-] ZINC000608890383 520156057 /nfs/dbraw/zinc/15/60/57/520156057.db2.gz WMPZHLRZUQUQSS-UHFFFAOYSA-N 1 2 367.365 2.560 20 5 FFBDLO COc1ccc(CN2CC[C@H]([N@H+](C)Cc3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000595286624 520384433 /nfs/dbraw/zinc/38/44/33/520384433.db2.gz DSDJZFLXHBUJMA-IBGZPJMESA-N 1 2 369.421 2.836 20 5 FFBDLO COc1ccc(CN2CC[C@H]([N@@H+](C)Cc3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000595286624 520384438 /nfs/dbraw/zinc/38/44/38/520384438.db2.gz DSDJZFLXHBUJMA-IBGZPJMESA-N 1 2 369.421 2.836 20 5 FFBDLO COCCOc1ccc([C@@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])cc1OC ZINC000595410091 520452224 /nfs/dbraw/zinc/45/22/24/520452224.db2.gz AYLCICGGAYDORN-LLVKDONJSA-N 1 2 365.386 2.776 20 5 FFBDLO Cc1noc(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1[N+](=O)[O-] ZINC000595426970 520462930 /nfs/dbraw/zinc/46/29/30/520462930.db2.gz VBPOABSLVDVADI-SNVBAGLBSA-N 1 2 359.308 2.944 20 5 FFBDLO Cc1noc(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1[N+](=O)[O-] ZINC000595426970 520462935 /nfs/dbraw/zinc/46/29/35/520462935.db2.gz VBPOABSLVDVADI-SNVBAGLBSA-N 1 2 359.308 2.944 20 5 FFBDLO CC(C)c1ccnc(N2CC[NH+](Cc3ccc(F)cc3[N+](=O)[O-])CC2)n1 ZINC000595438201 520470531 /nfs/dbraw/zinc/47/05/31/520470531.db2.gz CVEFQIAJJNLELD-UHFFFAOYSA-N 1 2 359.405 2.970 20 5 FFBDLO Cc1noc(C[NH2+][C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000595453627 520482357 /nfs/dbraw/zinc/48/23/57/520482357.db2.gz DSWGWESHHVMISL-MLGOLLRUSA-N 1 2 364.789 2.606 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000610221230 520588427 /nfs/dbraw/zinc/58/84/27/520588427.db2.gz CHGPORIGOVQBQL-GOSISDBHSA-N 1 2 368.368 2.916 20 5 FFBDLO Cc1ccc2[nH+]c(CNc3c([N+](=O)[O-])c(C(F)(F)F)nn3C)cn2c1 ZINC000601105756 520638823 /nfs/dbraw/zinc/63/88/23/520638823.db2.gz GVCBDGUMSGALIV-UHFFFAOYSA-N 1 2 354.292 2.915 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000595689179 520651739 /nfs/dbraw/zinc/65/17/39/520651739.db2.gz MXHRGMPJAHPULE-LQAWEQHXSA-N 1 2 367.833 2.934 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000595689179 520651742 /nfs/dbraw/zinc/65/17/42/520651742.db2.gz MXHRGMPJAHPULE-LQAWEQHXSA-N 1 2 367.833 2.934 20 5 FFBDLO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](C(F)(F)F)O1 ZINC000610413319 520672983 /nfs/dbraw/zinc/67/29/83/520672983.db2.gz NGUJEJKZFFSUED-MFKMUULPSA-N 1 2 361.320 2.575 20 5 FFBDLO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](C(F)(F)F)O1 ZINC000610413319 520672987 /nfs/dbraw/zinc/67/29/87/520672987.db2.gz NGUJEJKZFFSUED-MFKMUULPSA-N 1 2 361.320 2.575 20 5 FFBDLO COC(=O)c1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC000610423183 520676083 /nfs/dbraw/zinc/67/60/83/520676083.db2.gz MSZVAKBXRSBNSW-UHFFFAOYSA-N 1 2 372.362 2.881 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](C)c2c(F)cncc2F)c1 ZINC000593028506 520692819 /nfs/dbraw/zinc/69/28/19/520692819.db2.gz OPKMSPBAGGSOMF-SECBINFHSA-N 1 2 351.309 2.905 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCc3cc(OC)ccc3C2)c1 ZINC000595759248 520704664 /nfs/dbraw/zinc/70/46/64/520704664.db2.gz KUGOVSBLSYGNRB-UHFFFAOYSA-N 1 2 356.378 2.948 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCc3cc(OC)ccc3C2)c1 ZINC000595759248 520704665 /nfs/dbraw/zinc/70/46/65/520704665.db2.gz KUGOVSBLSYGNRB-UHFFFAOYSA-N 1 2 356.378 2.948 20 5 FFBDLO CC1(C)CC[C@H](CO)[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000598649963 520762108 /nfs/dbraw/zinc/76/21/08/520762108.db2.gz VTZVCOUXOKGJKL-GFCCVEGCSA-N 1 2 355.822 2.670 20 5 FFBDLO CC1(C)CC[C@H](CO)[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000598649963 520762112 /nfs/dbraw/zinc/76/21/12/520762112.db2.gz VTZVCOUXOKGJKL-GFCCVEGCSA-N 1 2 355.822 2.670 20 5 FFBDLO CO[C@H](C)c1nc(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cs1 ZINC000610613325 520763847 /nfs/dbraw/zinc/76/38/47/520763847.db2.gz LJRFZNLNDYFQMB-SNVBAGLBSA-N 1 2 365.411 2.820 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000595880866 520788114 /nfs/dbraw/zinc/78/81/14/520788114.db2.gz ZYUNIGZWRLVWSU-LYOVBCGYSA-N 1 2 355.822 2.526 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000595880866 520788119 /nfs/dbraw/zinc/78/81/19/520788119.db2.gz ZYUNIGZWRLVWSU-LYOVBCGYSA-N 1 2 355.822 2.526 20 5 FFBDLO CCOc1cc(C[N@@H+]2CCc3c(cccc3C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000595904369 520810872 /nfs/dbraw/zinc/81/08/72/520810872.db2.gz XAFLKOKVAHNQLC-UHFFFAOYSA-N 1 2 355.394 2.651 20 5 FFBDLO CCOc1cc(C[N@H+]2CCc3c(cccc3C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000595904369 520810876 /nfs/dbraw/zinc/81/08/76/520810876.db2.gz XAFLKOKVAHNQLC-UHFFFAOYSA-N 1 2 355.394 2.651 20 5 FFBDLO CC[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1OCC(=O)NC ZINC000610786310 520843246 /nfs/dbraw/zinc/84/32/46/520843246.db2.gz ZGXURHNKPSSEBV-INIZCTEOSA-N 1 2 373.409 2.666 20 5 FFBDLO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@@H](CC)CO1 ZINC000593257448 520863455 /nfs/dbraw/zinc/86/34/55/520863455.db2.gz ZDASNIYLKWYKOC-GJZGRUSLSA-N 1 2 358.398 2.810 20 5 FFBDLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)cc1[N+](=O)[O-] ZINC000601726559 520921581 /nfs/dbraw/zinc/92/15/81/520921581.db2.gz AUFXBINCPARYBO-UHFFFAOYSA-N 1 2 355.394 2.567 20 5 FFBDLO O=C1[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1C1CCC1 ZINC000599020591 520984030 /nfs/dbraw/zinc/98/40/30/520984030.db2.gz TZBHWTZUBRWARR-MRXNPFEDSA-N 1 2 372.450 2.961 20 5 FFBDLO O=C(C1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1)N1CCCC1 ZINC000599022488 520985430 /nfs/dbraw/zinc/98/54/30/520985430.db2.gz LTDAICUXVWAAAD-UHFFFAOYSA-N 1 2 354.410 2.982 20 5 FFBDLO CCOC(=O)C1(COC)CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599070912 521014514 /nfs/dbraw/zinc/01/45/14/521014514.db2.gz MIGOYLLIUSFIHI-UHFFFAOYSA-N 1 2 373.409 2.939 20 5 FFBDLO Cc1cc(N[C@@H]2CCC[C@H]([S@](C)=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596375320 521044702 /nfs/dbraw/zinc/04/47/02/521044702.db2.gz PZENILAMIATBDP-NSSJMGKWSA-N 1 2 374.466 2.884 20 5 FFBDLO O=C(Nc1ccccc1)C1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000614605295 521046652 /nfs/dbraw/zinc/04/66/52/521046652.db2.gz JMVJRDJGDZFDIR-UHFFFAOYSA-N 1 2 352.350 2.997 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)ccc1NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000599183452 521075934 /nfs/dbraw/zinc/07/59/34/521075934.db2.gz OARBUFOZWUXGAU-HNNXBMFYSA-N 1 2 362.817 2.956 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)ccc1NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000599183452 521075945 /nfs/dbraw/zinc/07/59/45/521075945.db2.gz OARBUFOZWUXGAU-HNNXBMFYSA-N 1 2 362.817 2.956 20 5 FFBDLO CC[C@H](NC(=O)c1cccc(Cn2nc([N+](=O)[O-])cc2C)c1)c1[nH]cc[nH+]1 ZINC000593612450 521107742 /nfs/dbraw/zinc/10/77/42/521107742.db2.gz LBFYTXBKIAQABV-HNNXBMFYSA-N 1 2 368.397 2.752 20 5 FFBDLO CC(=O)c1cc(N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)ccc1[N+](=O)[O-] ZINC000596515225 521108876 /nfs/dbraw/zinc/10/88/76/521108876.db2.gz STTXNIKFFMQIIV-QZTJIDSGSA-N 1 2 359.426 2.853 20 5 FFBDLO COC(=O)[C@H]1C[C@@H](N(C)c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000596533363 521120837 /nfs/dbraw/zinc/12/08/37/521120837.db2.gz MUADIUVXJQOKJZ-OTVXOJSOSA-N 1 2 356.382 2.748 20 5 FFBDLO C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000611408064 521140320 /nfs/dbraw/zinc/14/03/20/521140320.db2.gz IQBNKLZUZMLWAH-KSSFIOAISA-N 1 2 354.410 2.832 20 5 FFBDLO C[C@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000611408064 521140333 /nfs/dbraw/zinc/14/03/33/521140333.db2.gz IQBNKLZUZMLWAH-KSSFIOAISA-N 1 2 354.410 2.832 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596597576 521154690 /nfs/dbraw/zinc/15/46/90/521154690.db2.gz CHQSODTXOHBZSS-CYBMUJFWSA-N 1 2 371.441 2.740 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596597576 521154697 /nfs/dbraw/zinc/15/46/97/521154697.db2.gz CHQSODTXOHBZSS-CYBMUJFWSA-N 1 2 371.441 2.740 20 5 FFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596597955 521157246 /nfs/dbraw/zinc/15/72/46/521157246.db2.gz HAUIFNLXZVNRRZ-CYBMUJFWSA-N 1 2 371.441 2.740 20 5 FFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596597955 521157252 /nfs/dbraw/zinc/15/72/52/521157252.db2.gz HAUIFNLXZVNRRZ-CYBMUJFWSA-N 1 2 371.441 2.740 20 5 FFBDLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NCCc1cccc([N+](=O)[O-])c1 ZINC000602129346 521161906 /nfs/dbraw/zinc/16/19/06/521161906.db2.gz DOJMTOVDZBXWBU-CYBMUJFWSA-N 1 2 356.304 2.644 20 5 FFBDLO CN(C)c1nc(CN[C@@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000611560756 521220100 /nfs/dbraw/zinc/22/01/00/521220100.db2.gz OVUAOHZOUBPZQK-OAHLLOKOSA-N 1 2 372.454 2.730 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](OC(F)F)C2)c([N+](=O)[O-])c1 ZINC000611579166 521232364 /nfs/dbraw/zinc/23/23/64/521232364.db2.gz SAQCSHUDVAALKH-PWSUYJOCSA-N 1 2 373.356 2.634 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](OC(F)F)C2)c([N+](=O)[O-])c1 ZINC000611579166 521232365 /nfs/dbraw/zinc/23/23/65/521232365.db2.gz SAQCSHUDVAALKH-PWSUYJOCSA-N 1 2 373.356 2.634 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H](OC(F)F)C1 ZINC000611587299 521239448 /nfs/dbraw/zinc/23/94/48/521239448.db2.gz VUAJQHZAKQCQJC-LBPRGKRZSA-N 1 2 366.324 2.624 20 5 FFBDLO Cc1cn2c([nH+]1)CN(C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC000611894776 521383754 /nfs/dbraw/zinc/38/37/54/521383754.db2.gz JZVUYBVDEXSHTE-NSHDSACASA-N 1 2 364.789 2.563 20 5 FFBDLO Cc1ccc(CN(C)c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])nc1 ZINC000619156944 521422975 /nfs/dbraw/zinc/42/29/75/521422975.db2.gz VZMUXYLIYXBRDO-UHFFFAOYSA-N 1 2 356.426 2.767 20 5 FFBDLO C[C@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)c1nnc2n1CCC2 ZINC000602601429 521432557 /nfs/dbraw/zinc/43/25/57/521432557.db2.gz LPVCFMUKLUNGMK-ZETCQYMHSA-N 1 2 372.248 2.807 20 5 FFBDLO Cn1cc(C[N@H+]2Cc3ccccc3[C@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC000602706597 521487470 /nfs/dbraw/zinc/48/74/70/521487470.db2.gz RFWCUZSHEYZIAH-MRXNPFEDSA-N 1 2 372.425 2.769 20 5 FFBDLO Cn1cc(C[N@@H+]2Cc3ccccc3[C@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC000602706597 521487479 /nfs/dbraw/zinc/48/74/79/521487479.db2.gz RFWCUZSHEYZIAH-MRXNPFEDSA-N 1 2 372.425 2.769 20 5 FFBDLO COC(=O)[C@@](C)(NCc1c[nH+]c2c(C)cccn12)c1cccc([N+](=O)[O-])c1 ZINC000602737374 521506762 /nfs/dbraw/zinc/50/67/62/521506762.db2.gz WTIAWOKWMZMMFK-IBGZPJMESA-N 1 2 368.393 2.729 20 5 FFBDLO COC(=O)[C@@H](COC(C)C)[N@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000615834584 521552780 /nfs/dbraw/zinc/55/27/80/521552780.db2.gz WNBLPWKQEWXUJS-CRPZLVSXSA-N 1 2 350.415 2.897 20 5 FFBDLO COC(=O)[C@@H](COC(C)C)[N@@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000615834584 521552787 /nfs/dbraw/zinc/55/27/87/521552787.db2.gz WNBLPWKQEWXUJS-CRPZLVSXSA-N 1 2 350.415 2.897 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1 ZINC000619840188 521899655 /nfs/dbraw/zinc/89/96/55/521899655.db2.gz NZICXGIBEDIKAH-UHFFFAOYSA-N 1 2 355.354 2.798 20 5 FFBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898484632 735366764 /nfs/dbraw/zinc/36/67/64/735366764.db2.gz VLRKCVVBBUZFIQ-STQMWFEESA-N 1 2 355.435 2.626 20 5 FFBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898484632 735366767 /nfs/dbraw/zinc/36/67/67/735366767.db2.gz VLRKCVVBBUZFIQ-STQMWFEESA-N 1 2 355.435 2.626 20 5 FFBDLO CCO[C@@H]1C[C@H]([N@H+](C)Cn2cc(Br)c([N+](=O)[O-])n2)C12CCC2 ZINC000127157290 728705616 /nfs/dbraw/zinc/70/56/16/728705616.db2.gz HTVZKNMNEJJILR-NWDGAFQWSA-N 1 2 373.251 2.791 20 5 FFBDLO CCO[C@@H]1C[C@H]([N@@H+](C)Cn2cc(Br)c([N+](=O)[O-])n2)C12CCC2 ZINC000127157290 728705617 /nfs/dbraw/zinc/70/56/17/728705617.db2.gz HTVZKNMNEJJILR-NWDGAFQWSA-N 1 2 373.251 2.791 20 5 FFBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857977976 730415136 /nfs/dbraw/zinc/41/51/36/730415136.db2.gz KBBZMGVSKWBUCG-LBPRGKRZSA-N 1 2 365.187 2.737 20 5 FFBDLO Cc1nn(C)c(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1Br ZINC000865787113 730997611 /nfs/dbraw/zinc/99/76/11/730997611.db2.gz HTEAZUMOPHPNDT-UHFFFAOYSA-N 1 2 353.220 2.997 20 5 FFBDLO C[C@@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872051054 731723832 /nfs/dbraw/zinc/72/38/32/731723832.db2.gz FGUKZXONAWTTEF-KOLCDFICSA-N 1 2 363.311 2.938 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@H](O)c1ccsc1)c1ccc([N+](=O)[O-])cc1 ZINC000780763898 738574822 /nfs/dbraw/zinc/57/48/22/738574822.db2.gz GPJASEQLNCHCIR-JKSUJKDBSA-N 1 2 358.423 2.802 20 5 FFBDLO O=C(CCCn1cc[nH+]c1)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000881863837 733122477 /nfs/dbraw/zinc/12/24/77/733122477.db2.gz GZNVUZJILUFFCX-UHFFFAOYSA-N 1 2 367.203 2.650 20 5 FFBDLO Cc1cc(C[NH+]2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)on1 ZINC000731206058 734670939 /nfs/dbraw/zinc/67/09/39/734670939.db2.gz YMRYWPODVXYMBZ-UHFFFAOYSA-N 1 2 359.411 2.823 20 5 FFBDLO COC(=O)C[C@@H]1CCC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774641160 738008756 /nfs/dbraw/zinc/00/87/56/738008756.db2.gz YXGWHPYCJXYGGS-NSHDSACASA-N 1 2 352.778 2.583 20 5 FFBDLO COC(=O)C[C@@H]1CCC[N@H+]1Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774641160 738008757 /nfs/dbraw/zinc/00/87/57/738008757.db2.gz YXGWHPYCJXYGGS-NSHDSACASA-N 1 2 352.778 2.583 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(CN2CCc3[nH+]c[nH]c3C2)o1 ZINC000929070581 738941825 /nfs/dbraw/zinc/94/18/25/738941825.db2.gz VNDSCLNCVMJVBX-UHFFFAOYSA-N 1 2 360.761 2.580 20 5 FFBDLO Cc1cn2c(nc(C[NH2+]C(C)(C)c3ccccc3[N+](=O)[O-])cc2=O)s1 ZINC000930553676 739127123 /nfs/dbraw/zinc/12/71/23/739127123.db2.gz CIXKQJCAFXMMTH-UHFFFAOYSA-N 1 2 358.423 2.998 20 5 FFBDLO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CC[C@](O)(C(F)F)C2)c1 ZINC000930623872 739138693 /nfs/dbraw/zinc/13/86/93/739138693.db2.gz VLKIKUPSCNJGGT-GFCCVEGCSA-N 1 2 351.147 2.559 20 5 FFBDLO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2CC[C@](O)(C(F)F)C2)c1 ZINC000930623872 739138698 /nfs/dbraw/zinc/13/86/98/739138698.db2.gz VLKIKUPSCNJGGT-GFCCVEGCSA-N 1 2 351.147 2.559 20 5 FFBDLO CC(C)[N@@H+](Cc1cc([N+](=O)[O-])ccc1Br)C[C@@H]1CCC(=O)N1 ZINC000930740616 739156053 /nfs/dbraw/zinc/15/60/53/739156053.db2.gz SXOMHNPITXSRTE-LBPRGKRZSA-N 1 2 370.247 2.846 20 5 FFBDLO CC(C)[N@H+](Cc1cc([N+](=O)[O-])ccc1Br)C[C@@H]1CCC(=O)N1 ZINC000930740616 739156055 /nfs/dbraw/zinc/15/60/55/739156055.db2.gz SXOMHNPITXSRTE-LBPRGKRZSA-N 1 2 370.247 2.846 20 5 FFBDLO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c1 ZINC000930759237 739158519 /nfs/dbraw/zinc/15/85/19/739158519.db2.gz LCQOTZZDMWFXBF-ZDUSSCGKSA-N 1 2 366.219 2.786 20 5 FFBDLO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CCC[C@H](n3ccnn3)C2)c1 ZINC000930759237 739158520 /nfs/dbraw/zinc/15/85/20/739158520.db2.gz LCQOTZZDMWFXBF-ZDUSSCGKSA-N 1 2 366.219 2.786 20 5 FFBDLO C[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CCO1 ZINC000932334718 739433751 /nfs/dbraw/zinc/43/37/51/739433751.db2.gz DBCSBRFSZQGOFH-SNVBAGLBSA-N 1 2 352.778 2.909 20 5 FFBDLO C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CCO1 ZINC000932334718 739433756 /nfs/dbraw/zinc/43/37/56/739433756.db2.gz DBCSBRFSZQGOFH-SNVBAGLBSA-N 1 2 352.778 2.909 20 5 FFBDLO COCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802244790 740689563 /nfs/dbraw/zinc/68/95/63/740689563.db2.gz UDBSBQLTYOVYON-CYBMUJFWSA-N 1 2 372.418 2.534 20 5 FFBDLO COCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802244790 740689566 /nfs/dbraw/zinc/68/95/66/740689566.db2.gz UDBSBQLTYOVYON-CYBMUJFWSA-N 1 2 372.418 2.534 20 5 FFBDLO O=C(NC[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1)C(F)(F)F ZINC000810065929 741379952 /nfs/dbraw/zinc/37/99/52/741379952.db2.gz GDCQEFIPFSTFJK-SECBINFHSA-N 1 2 351.350 2.547 20 5 FFBDLO O=C(NC[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1)C(F)(F)F ZINC000810065929 741379955 /nfs/dbraw/zinc/37/99/55/741379955.db2.gz GDCQEFIPFSTFJK-SECBINFHSA-N 1 2 351.350 2.547 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000822750122 742778506 /nfs/dbraw/zinc/77/85/06/742778506.db2.gz HUPIWNCFPJSBSJ-CYBMUJFWSA-N 1 2 372.252 2.937 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C(C)(C)CO ZINC000824672941 743126611 /nfs/dbraw/zinc/12/66/11/743126611.db2.gz KMPQUAROOOTTKN-AWEZNQCLSA-N 1 2 352.822 2.831 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000829617583 745232743 /nfs/dbraw/zinc/23/27/43/745232743.db2.gz YVZXJVWHMMXQFU-HFAKWTLXSA-N 1 2 353.806 2.686 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000829617583 745232748 /nfs/dbraw/zinc/23/27/48/745232748.db2.gz YVZXJVWHMMXQFU-HFAKWTLXSA-N 1 2 353.806 2.686 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000852460536 749866243 /nfs/dbraw/zinc/86/62/43/749866243.db2.gz ASRMDMITYMBTDP-LQAWEQHXSA-N 1 2 367.833 2.934 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000852460536 749866254 /nfs/dbraw/zinc/86/62/54/749866254.db2.gz ASRMDMITYMBTDP-LQAWEQHXSA-N 1 2 367.833 2.934 20 5 FFBDLO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1c(Cl)oc2ccccc21 ZINC001266391044 960204777 /nfs/dbraw/zinc/20/47/77/960204777.db2.gz XAXYEGDJMWIUOQ-TZMCWYRMSA-N 1 2 365.817 2.690 20 5 FFBDLO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1c(Cl)oc2ccccc21 ZINC001266391044 960204790 /nfs/dbraw/zinc/20/47/90/960204790.db2.gz XAXYEGDJMWIUOQ-TZMCWYRMSA-N 1 2 365.817 2.690 20 5 FFBDLO O=[N+]([O-])c1ccccc1CCS(=O)(=O)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC000178930285 966123561 /nfs/dbraw/zinc/12/35/61/966123561.db2.gz RBFBETNHNIXHCB-UHFFFAOYSA-N 1 2 373.390 2.732 20 5 FFBDLO CC(C)OC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001176262608 1013673108 /nfs/dbraw/zinc/67/31/08/1013673108.db2.gz KCRUEYGAYFXVJT-ZDUSSCGKSA-N 1 2 363.414 2.585 20 5 FFBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@H](O)c1ccccc1 ZINC001141761136 969108992 /nfs/dbraw/zinc/10/89/92/969108992.db2.gz BDPDJMWPGCULAZ-ACJLOTCBSA-N 1 2 366.377 2.632 20 5 FFBDLO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCC[C@@H](Oc4ncccc4F)C3)c2c1 ZINC000782841585 969730936 /nfs/dbraw/zinc/73/09/36/969730936.db2.gz FWKYETZDKUZQPM-OAHLLOKOSA-N 1 2 371.372 2.980 20 5 FFBDLO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CCC[C@@H](Oc4ncccc4F)C3)c2c1 ZINC000782841585 969730940 /nfs/dbraw/zinc/73/09/40/969730940.db2.gz FWKYETZDKUZQPM-OAHLLOKOSA-N 1 2 371.372 2.980 20 5 FFBDLO C[C@@H]1CCN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000892909510 970366569 /nfs/dbraw/zinc/36/65/69/970366569.db2.gz MCFBXCNYMIGWHO-CZUORRHYSA-N 1 2 367.409 2.731 20 5 FFBDLO COC(=O)Cc1ccc(N2CCC(Nc3cccc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000895349087 970447866 /nfs/dbraw/zinc/44/78/66/970447866.db2.gz HWYLFJQJQFXWFF-UHFFFAOYSA-N 1 2 370.409 2.786 20 5 FFBDLO Cc1nn(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c(C)c1[N+](=O)[O-] ZINC000072856947 975363575 /nfs/dbraw/zinc/36/35/75/975363575.db2.gz FGGMBZRSRPCADI-UHFFFAOYSA-N 1 2 357.414 2.716 20 5 FFBDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178863021 978258042 /nfs/dbraw/zinc/25/80/42/978258042.db2.gz BGRMQBJTJMHZIT-MOPGFXCFSA-N 1 2 372.421 2.734 20 5 FFBDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178863021 978258049 /nfs/dbraw/zinc/25/80/49/978258049.db2.gz BGRMQBJTJMHZIT-MOPGFXCFSA-N 1 2 372.421 2.734 20 5 FFBDLO Cc1cc(N[C@@H]2CCC[N@@H+](C3COC3)C2)c([N+](=O)[O-])cc1Br ZINC001168374027 981858032 /nfs/dbraw/zinc/85/80/32/981858032.db2.gz KCKULNJVEQZGNI-LLVKDONJSA-N 1 2 370.247 2.941 20 5 FFBDLO Cc1cc(N[C@@H]2CCC[N@H+](C3COC3)C2)c([N+](=O)[O-])cc1Br ZINC001168374027 981858039 /nfs/dbraw/zinc/85/80/39/981858039.db2.gz KCKULNJVEQZGNI-LLVKDONJSA-N 1 2 370.247 2.941 20 5 FFBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cn3nccc3-c3cccnc3)CC2)c1 ZINC000170637784 985102578 /nfs/dbraw/zinc/10/25/78/985102578.db2.gz JCXONIASPUSXHY-UHFFFAOYSA-N 1 2 364.409 2.633 20 5 FFBDLO CCO[C@H]1C[C@@H]([N@H+](C)Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C12CCC2 ZINC000127292522 1015181261 /nfs/dbraw/zinc/18/12/61/1015181261.db2.gz OGMGLSIBPJUWPP-CVEARBPZSA-N 1 2 361.398 2.740 20 5 FFBDLO CCO[C@H]1C[C@@H]([N@@H+](C)Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C12CCC2 ZINC000127292522 1015181265 /nfs/dbraw/zinc/18/12/65/1015181265.db2.gz OGMGLSIBPJUWPP-CVEARBPZSA-N 1 2 361.398 2.740 20 5 FFBDLO CC(C)(C)OC1CC([NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000451083221 987357662 /nfs/dbraw/zinc/35/76/62/987357662.db2.gz VQWULBIJRDDRBK-UHFFFAOYSA-N 1 2 361.442 2.699 20 5 FFBDLO CCOc1ccc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000126338244 989091815 /nfs/dbraw/zinc/09/18/15/989091815.db2.gz VAPFHNWTRRKOAS-CZUORRHYSA-N 1 2 358.398 2.913 20 5 FFBDLO COc1ccc(OC2CC[NH+](Cn3nc(C)c([N+](=O)[O-])c3C)CC2)cc1 ZINC000917476536 990224737 /nfs/dbraw/zinc/22/47/37/990224737.db2.gz NWDXYIWLVRZFPY-UHFFFAOYSA-N 1 2 360.414 2.918 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000444658476 990303660 /nfs/dbraw/zinc/30/36/60/990303660.db2.gz GCHOPWGFSDCNPB-GFCCVEGCSA-N 1 2 353.382 2.829 20 5 FFBDLO COc1ccc([C@H]2C[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CCO2)cc1 ZINC000879634900 1015621268 /nfs/dbraw/zinc/62/12/68/1015621268.db2.gz ZMVGUCJKDOWSJP-RTBURBONSA-N 1 2 358.394 2.710 20 5 FFBDLO COc1ccc([C@H]2C[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CCO2)cc1 ZINC000879634900 1015621269 /nfs/dbraw/zinc/62/12/69/1015621269.db2.gz ZMVGUCJKDOWSJP-RTBURBONSA-N 1 2 358.394 2.710 20 5 FFBDLO CC(=O)Nc1cccc(OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000069481463 991755539 /nfs/dbraw/zinc/75/55/39/991755539.db2.gz VSSXDCWZEGKGEE-UHFFFAOYSA-N 1 2 366.333 2.958 20 5 FFBDLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001132600218 995013333 /nfs/dbraw/zinc/01/33/33/995013333.db2.gz GMGATPBNSFPOLC-LJQANCHMSA-N 1 2 369.421 2.534 20 5 FFBDLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001132600218 995013342 /nfs/dbraw/zinc/01/33/42/995013342.db2.gz GMGATPBNSFPOLC-LJQANCHMSA-N 1 2 369.421 2.534 20 5 FFBDLO C[C@H]1C(=O)CC[C@H]1CC(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173514 995633732 /nfs/dbraw/zinc/63/37/32/995633732.db2.gz DGKCOKHXEMNMIU-KMFMINBZSA-N 1 2 360.410 2.718 20 5 FFBDLO C[C@H]1C(=O)CC[C@H]1CC(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173514 995633733 /nfs/dbraw/zinc/63/37/33/995633733.db2.gz DGKCOKHXEMNMIU-KMFMINBZSA-N 1 2 360.410 2.718 20 5 FFBDLO CCCCC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(=O)OC ZINC000826728951 1016039004 /nfs/dbraw/zinc/03/90/04/1016039004.db2.gz VHJCLTMMEKPDNI-AWEZNQCLSA-N 1 2 374.397 2.632 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000825099683 997197454 /nfs/dbraw/zinc/19/74/54/997197454.db2.gz CUAUYQKVYLDBKV-UHFFFAOYSA-N 1 2 374.828 2.644 20 5 FFBDLO Cc1nn(C[NH+]2CCC(Cc3nc([C@H]4C[C@H]4C)no3)CC2)cc1[N+](=O)[O-] ZINC000844729675 998099931 /nfs/dbraw/zinc/09/99/31/998099931.db2.gz GPYVYGVRBMVBAE-RISCZKNCSA-N 1 2 360.418 2.518 20 5 FFBDLO CCOC(=O)[C@@H]1c2ccc(OC)cc2CC[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169052054 1000019003 /nfs/dbraw/zinc/01/90/03/1000019003.db2.gz FTGNXZQTDKLDFQ-XUWXXGDYSA-N 1 2 362.426 2.603 20 5 FFBDLO CCOC(=O)[C@@H]1c2ccc(OC)cc2CC[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169052054 1000019004 /nfs/dbraw/zinc/01/90/04/1000019004.db2.gz FTGNXZQTDKLDFQ-XUWXXGDYSA-N 1 2 362.426 2.603 20 5 FFBDLO CNc1ccc([N+](=O)[O-])cc1C(=O)NCCn1c[nH+]cc1-c1ccccc1 ZINC001169159662 1000028776 /nfs/dbraw/zinc/02/87/76/1000028776.db2.gz UVMKSAUMBKYLBY-UHFFFAOYSA-N 1 2 365.393 2.930 20 5 FFBDLO CC(C)c1n[nH]c(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1[N+](=O)[O-] ZINC000771343736 1001084101 /nfs/dbraw/zinc/08/41/01/1001084101.db2.gz IDHHMSCVRJSTFR-UHFFFAOYSA-N 1 2 354.370 2.557 20 5 FFBDLO C[C@H]1OCC[C@]12C[N@H+](Cn1cc(-c3ccc([N+](=O)[O-])cc3)cn1)C[C@@H](C)O2 ZINC000790403266 1002363739 /nfs/dbraw/zinc/36/37/39/1002363739.db2.gz QIABBUQXDBLYLY-CLCXKQKWSA-N 1 2 372.425 2.684 20 5 FFBDLO C[C@H]1OCC[C@]12C[N@@H+](Cn1cc(-c3ccc([N+](=O)[O-])cc3)cn1)C[C@@H](C)O2 ZINC000790403266 1002363750 /nfs/dbraw/zinc/36/37/50/1002363750.db2.gz QIABBUQXDBLYLY-CLCXKQKWSA-N 1 2 372.425 2.684 20 5 FFBDLO Cc1nc(Nc2cc(O)cc([N+](=O)[O-])c2)cc(N2C[C@@H](C)O[C@H](C)C2)[nH+]1 ZINC001199814584 1005034730 /nfs/dbraw/zinc/03/47/30/1005034730.db2.gz LHKRARQQJGYJHP-GHMZBOCLSA-N 1 2 359.386 2.756 20 5 FFBDLO Cc1nc(Nc2cc(O)cc([N+](=O)[O-])c2)cc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC001199814587 1005034796 /nfs/dbraw/zinc/03/47/96/1005034796.db2.gz LHKRARQQJGYJHP-PHIMTYICSA-N 1 2 359.386 2.756 20 5 FFBDLO Cc1nc(Nc2cc(O)cc([N+](=O)[O-])c2)cc(N2C[C@H](C)O[C@@H](C)C2)[nH+]1 ZINC001199814590 1005035050 /nfs/dbraw/zinc/03/50/50/1005035050.db2.gz LHKRARQQJGYJHP-QWRGUYRKSA-N 1 2 359.386 2.756 20 5 FFBDLO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCN(c3cc(F)ccc3F)CC2)cc1 ZINC000776275485 1005341687 /nfs/dbraw/zinc/34/16/87/1005341687.db2.gz FMJGUDYWMNQBFS-SFHVURJKSA-N 1 2 363.364 2.729 20 5 FFBDLO O=C(O[C@H]1C[C@@H](OCC(F)F)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000851517842 1005891997 /nfs/dbraw/zinc/89/19/97/1005891997.db2.gz ZYYUGMXOPMDXRF-TXEJJXNPSA-N 1 2 367.308 2.750 20 5 FFBDLO Cc1cccc(NC(=O)C[N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000776578528 1005959276 /nfs/dbraw/zinc/95/92/76/1005959276.db2.gz GESWMZBTOQNMIJ-SFHVURJKSA-N 1 2 357.410 2.816 20 5 FFBDLO Cc1cccc(NC(=O)C[N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000776578528 1005959278 /nfs/dbraw/zinc/95/92/78/1005959278.db2.gz GESWMZBTOQNMIJ-SFHVURJKSA-N 1 2 357.410 2.816 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCOC(C4CC4)(C4CC4)C3)n2)cc1 ZINC000853582141 1006457890 /nfs/dbraw/zinc/45/78/90/1006457890.db2.gz HYSDSTCWWLYYRY-UHFFFAOYSA-N 1 2 369.425 2.702 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CCOC(C4CC4)(C4CC4)C3)n2)cc1 ZINC000853582141 1006457896 /nfs/dbraw/zinc/45/78/96/1006457896.db2.gz HYSDSTCWWLYYRY-UHFFFAOYSA-N 1 2 369.425 2.702 20 5 FFBDLO CN(c1ccccc1)[C@H]1CC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000853585996 1006460442 /nfs/dbraw/zinc/46/04/42/1006460442.db2.gz WROOAGTUSGDUBY-INIZCTEOSA-N 1 2 368.393 2.671 20 5 FFBDLO CN(c1ccccc1)[C@H]1CC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000853585996 1006460445 /nfs/dbraw/zinc/46/04/45/1006460445.db2.gz WROOAGTUSGDUBY-INIZCTEOSA-N 1 2 368.393 2.671 20 5 FFBDLO O=[N+]([O-])c1c(F)nccc1N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000882666647 1006467630 /nfs/dbraw/zinc/46/76/30/1006467630.db2.gz PWGGQAHTMSHTHZ-UHFFFAOYSA-N 1 2 355.373 2.932 20 5 FFBDLO COC(=O)N1CCN(c2ccc(Nc3cc(C)ccc3[N+](=O)[O-])c[nH+]2)CC1 ZINC000814934007 1006471529 /nfs/dbraw/zinc/47/15/29/1006471529.db2.gz HXSZJALNACQRJF-UHFFFAOYSA-N 1 2 371.397 2.930 20 5 FFBDLO Cc1nn(C[NH+]2CCC(C(=O)OC(C)C)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000884475494 1007458364 /nfs/dbraw/zinc/45/83/64/1007458364.db2.gz JWPKOYRFGPWAGF-UHFFFAOYSA-N 1 2 360.414 2.874 20 5 FFBDLO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2ccccc21)[C@H](C)[NH+]1CCOCC1 ZINC000859228487 1008490084 /nfs/dbraw/zinc/49/00/84/1008490084.db2.gz SJDQMHYYZWLNMA-KGLIPLIRSA-N 1 2 357.410 2.587 20 5 FFBDLO O=C(NC1([C@@H]2CCCCO2)CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000887087799 1009013475 /nfs/dbraw/zinc/01/34/75/1009013475.db2.gz YGIYNWWZHJUXQN-INIZCTEOSA-N 1 2 356.382 2.612 20 5 FFBDLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000826604920 1009790883 /nfs/dbraw/zinc/79/08/83/1009790883.db2.gz MZZDRDCVTBWRDP-KRWDZBQOSA-N 1 2 369.421 2.534 20 5 FFBDLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000826604920 1009790894 /nfs/dbraw/zinc/79/08/94/1009790894.db2.gz MZZDRDCVTBWRDP-KRWDZBQOSA-N 1 2 369.421 2.534 20 5 FFBDLO Cc1[nH]c(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)[nH+]c1C ZINC001137260868 1010255720 /nfs/dbraw/zinc/25/57/20/1010255720.db2.gz QCPHEFQYQQQUEV-UHFFFAOYSA-N 1 2 353.176 2.627 20 5 FFBDLO O=[N+]([O-])c1c(NCc2cc[nH+]c(N3CCSCC3)c2)nc2ccccn21 ZINC000866090603 1010925801 /nfs/dbraw/zinc/92/58/01/1010925801.db2.gz ZZNISBPQYVUIDQ-UHFFFAOYSA-N 1 2 370.438 2.803 20 5 FFBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000867802045 1011098071 /nfs/dbraw/zinc/09/80/71/1011098071.db2.gz HQJBXKIBIYFHHC-UHFFFAOYSA-N 1 2 362.405 2.974 20 5 FFBDLO Cc1ccc(CNC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000869053493 1011590475 /nfs/dbraw/zinc/59/04/75/1011590475.db2.gz AZTYNHJSJXIVOW-OAHLLOKOSA-N 1 2 357.414 2.726 20 5 FFBDLO CCOC(=O)c1cnc2n1CC[N@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@@H]2C ZINC001173233405 1012367643 /nfs/dbraw/zinc/36/76/43/1012367643.db2.gz WGPOUDXQWAARRW-ZIAGYGMSSA-N 1 2 372.425 2.976 20 5 FFBDLO CCOC(=O)c1cnc2n1CC[N@@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@@H]2C ZINC001173233405 1012367658 /nfs/dbraw/zinc/36/76/58/1012367658.db2.gz WGPOUDXQWAARRW-ZIAGYGMSSA-N 1 2 372.425 2.976 20 5 FFBDLO COC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173211185 1012369127 /nfs/dbraw/zinc/36/91/27/1012369127.db2.gz QSOQKIJQYIMABJ-ACJLOTCBSA-N 1 2 358.394 2.605 20 5 FFBDLO O=C1OCCN1C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000827741192 1018635229 /nfs/dbraw/zinc/63/52/29/1018635229.db2.gz OIIQVFVZYDPCST-UHFFFAOYSA-N 1 2 371.340 2.613 20 5 FFBDLO CCn1c[nH+]c2c1CCN([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000933258153 1020985545 /nfs/dbraw/zinc/98/55/45/1020985545.db2.gz MLTXBPYJWSSUGN-ZDUSSCGKSA-N 1 2 357.414 2.505 20 5 FFBDLO CC(C)c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001017544454 1022247112 /nfs/dbraw/zinc/24/71/12/1022247112.db2.gz RMLBVSWVQSIFMB-FCGDIQPGSA-N 1 2 357.454 2.650 20 5 FFBDLO CC(C)c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001017544454 1022247120 /nfs/dbraw/zinc/24/71/20/1022247120.db2.gz RMLBVSWVQSIFMB-FCGDIQPGSA-N 1 2 357.454 2.650 20 5 FFBDLO O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1O[C@H]1C[NH2+]CC1(F)F ZINC001218241093 1033065472 /nfs/dbraw/zinc/06/54/72/1033065472.db2.gz WCGJUFKBCKIVOH-QMMMGPOBSA-N 1 2 357.191 2.508 20 5 FFBDLO COc1ccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1[N+](=O)[O-] ZINC000047742817 1022597838 /nfs/dbraw/zinc/59/78/38/1022597838.db2.gz SLANTBOFOSSCKI-UHFFFAOYSA-N 1 2 372.381 2.834 20 5 FFBDLO CC[NH+](CC)Cc1csc(NC(=O)COc2ccc([N+](=O)[O-])cc2)n1 ZINC001119545510 1022849388 /nfs/dbraw/zinc/84/93/88/1022849388.db2.gz GEYAOUYOBMPAKW-UHFFFAOYSA-N 1 2 364.427 2.911 20 5 FFBDLO C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C[C@H]1n1cc[nH+]c1 ZINC000759250327 1024534432 /nfs/dbraw/zinc/53/44/32/1024534432.db2.gz WPGRKMXSURPOSZ-SCLBCKFNSA-N 1 2 369.425 2.771 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001159984893 1027555198 /nfs/dbraw/zinc/55/51/98/1027555198.db2.gz WWVCEVWHVLMVND-UHFFFAOYSA-N 1 2 365.393 2.961 20 5 FFBDLO COc1ccc(Cn2c[nH+]cc2CNc2ccc([N+](=O)[O-])c(OC)n2)cc1 ZINC001161507654 1028206407 /nfs/dbraw/zinc/20/64/07/1028206407.db2.gz SVOXJQLFLXTYCW-UHFFFAOYSA-N 1 2 369.381 2.864 20 5 FFBDLO CCOC(=O)c1cc([N+](=O)[O-])cnc1NCc1c[nH+]cn1CC1CCC1 ZINC001161533280 1028219133 /nfs/dbraw/zinc/21/91/33/1028219133.db2.gz LLPNGUBAKLONIV-UHFFFAOYSA-N 1 2 359.386 2.775 20 5 FFBDLO CCOC(=O)c1ccnc(NCc2c[nH+]cn2CC2CCC2)c1[N+](=O)[O-] ZINC001161535696 1028219851 /nfs/dbraw/zinc/21/98/51/1028219851.db2.gz IEXUOFNVZJNMAC-UHFFFAOYSA-N 1 2 359.386 2.775 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000780763443 1028798648 /nfs/dbraw/zinc/79/86/48/1028798648.db2.gz CREADKIVKXYSGO-QZTJIDSGSA-N 1 2 370.384 2.880 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]C[C@](C)(O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000780765287 1028799045 /nfs/dbraw/zinc/79/90/45/1028799045.db2.gz XUMKLHIKMBVNGI-WMZOPIPTSA-N 1 2 372.450 2.977 20 5 FFBDLO COc1nc(C)c([N+](=O)[O-])c(N(C)Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC001156784080 1029344568 /nfs/dbraw/zinc/34/45/68/1029344568.db2.gz OSPZHWNHTGZKLU-UHFFFAOYSA-N 1 2 354.370 2.524 20 5 FFBDLO COc1cc(N2CCN(c3ccc4cccc([N+](=O)[O-])c4n3)CC2)cc[nH+]1 ZINC001158099870 1029734278 /nfs/dbraw/zinc/73/42/78/1029734278.db2.gz QOBGTMRLBXCLEF-UHFFFAOYSA-N 1 2 365.393 2.873 20 5 FFBDLO Cc1cnc(N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)c([N+](=O)[O-])c1 ZINC001165690374 1030083863 /nfs/dbraw/zinc/08/38/63/1030083863.db2.gz HEGAZXGEIDUYPY-HNNXBMFYSA-N 1 2 357.414 2.558 20 5 FFBDLO C[C@@H]1C[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@]2(CCO[C@H](C)C2)O1 ZINC000797414819 1031102531 /nfs/dbraw/zinc/10/25/31/1031102531.db2.gz BWQPVRGTDVUNFS-HBUWYVDXSA-N 1 2 360.414 2.560 20 5 FFBDLO C[C@@H]1C[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@]2(CCO[C@H](C)C2)O1 ZINC000797414819 1031102538 /nfs/dbraw/zinc/10/25/38/1031102538.db2.gz BWQPVRGTDVUNFS-HBUWYVDXSA-N 1 2 360.414 2.560 20 5 FFBDLO O=C1N(C[N@@H+]2CC[C@H](c3ccccn3)C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000799157762 1031674413 /nfs/dbraw/zinc/67/44/13/1031674413.db2.gz BCVJBWFUITYGQJ-HNNXBMFYSA-N 1 2 367.409 2.679 20 5 FFBDLO O=C1N(C[N@H+]2CC[C@H](c3ccccn3)C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000799157762 1031674425 /nfs/dbraw/zinc/67/44/25/1031674425.db2.gz BCVJBWFUITYGQJ-HNNXBMFYSA-N 1 2 367.409 2.679 20 5 FFBDLO COc1cc(O[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ncc1[N+](=O)[O-] ZINC001226581333 1034745560 /nfs/dbraw/zinc/74/55/60/1034745560.db2.gz OHMRVTOHBHMNEA-KDOFPFPSSA-N 1 2 373.409 2.667 20 5 FFBDLO COc1cc(O[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ncc1[N+](=O)[O-] ZINC001226581333 1034745571 /nfs/dbraw/zinc/74/55/71/1034745571.db2.gz OHMRVTOHBHMNEA-KDOFPFPSSA-N 1 2 373.409 2.667 20 5 FFBDLO Cc1ccnc([N+](=O)[O-])c1O[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001233557352 1036680384 /nfs/dbraw/zinc/68/03/84/1036680384.db2.gz SWUANUUPMUQJFK-NVXWUHKLSA-N 1 2 357.410 2.967 20 5 FFBDLO Cc1ccnc([N+](=O)[O-])c1O[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001233557352 1036680389 /nfs/dbraw/zinc/68/03/89/1036680389.db2.gz SWUANUUPMUQJFK-NVXWUHKLSA-N 1 2 357.410 2.967 20 5 FFBDLO C[N@@H+]1CCO[C@@H](COc2cc(C(F)(F)F)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001233971008 1036848125 /nfs/dbraw/zinc/84/81/25/1036848125.db2.gz YSXMLKCRDXTUEI-LLVKDONJSA-N 1 2 371.315 2.871 20 5 FFBDLO C[N@H+]1CCO[C@@H](COc2cc(C(F)(F)F)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001233971008 1036848131 /nfs/dbraw/zinc/84/81/31/1036848131.db2.gz YSXMLKCRDXTUEI-LLVKDONJSA-N 1 2 371.315 2.871 20 5 FFBDLO C[N@@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])ccc2I)C1 ZINC001229834864 1036924379 /nfs/dbraw/zinc/92/43/79/1036924379.db2.gz FBJFCQLTUORJRU-SNVBAGLBSA-N 1 2 362.167 2.672 20 5 FFBDLO C[N@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])ccc2I)C1 ZINC001229834864 1036924389 /nfs/dbraw/zinc/92/43/89/1036924389.db2.gz FBJFCQLTUORJRU-SNVBAGLBSA-N 1 2 362.167 2.672 20 5 FFBDLO COc1cc(Nc2ccc(O)c([N+](=O)[O-])c2)ccc1N1CC[NH+](C)CC1 ZINC001210398763 1039523057 /nfs/dbraw/zinc/52/30/57/1039523057.db2.gz KTSKFJIKEHDFQW-UHFFFAOYSA-N 1 2 358.398 2.804 20 5 FFBDLO Cc1[nH]c([C@@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)[nH+]c1C ZINC001213709073 1040819902 /nfs/dbraw/zinc/81/99/02/1040819902.db2.gz GYLCCMDOHOXPTN-AWEZNQCLSA-N 1 2 364.427 2.769 20 5 FFBDLO O=C(c1cccs1)N1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254604055 1040834484 /nfs/dbraw/zinc/83/44/84/1040834484.db2.gz UADZKTZBGSOVGS-INIZCTEOSA-N 1 2 357.435 2.582 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC001309797735 1043531180 /nfs/dbraw/zinc/53/11/80/1043531180.db2.gz OWIXZRHINKKKDK-KRWDZBQOSA-N 1 2 372.406 2.511 20 5 FFBDLO Cc1cccc(NC[C@@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC001324285131 1045954208 /nfs/dbraw/zinc/95/42/08/1045954208.db2.gz KAPGNOYBZDNFIT-HNNXBMFYSA-N 1 2 369.425 2.813 20 5 FFBDLO Cc1cccc(NC[C@@H]2CCC[N@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC001324285131 1045954218 /nfs/dbraw/zinc/95/42/18/1045954218.db2.gz KAPGNOYBZDNFIT-HNNXBMFYSA-N 1 2 369.425 2.813 20 5 FFBDLO Cc1cncc([N+](=O)[O-])c1NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC001323137364 1046358378 /nfs/dbraw/zinc/35/83/78/1046358378.db2.gz ONXPCOIHPKCWKL-UHFFFAOYSA-N 1 2 355.442 2.867 20 5 FFBDLO COc1cccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3C)CC2)c1 ZINC001287436652 1047282845 /nfs/dbraw/zinc/28/28/45/1047282845.db2.gz OXTSIGAYWBXUNT-UHFFFAOYSA-N 1 2 369.421 2.870 20 5 FFBDLO O=C(Cc1cccc(F)c1[N+](=O)[O-])NCc1ccc(-n2cc[nH+]c2)cc1 ZINC001292179086 1049163344 /nfs/dbraw/zinc/16/33/44/1049163344.db2.gz DVCPTZFNXUEAGW-UHFFFAOYSA-N 1 2 354.341 2.779 20 5 FFBDLO Nc1c(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001292420158 1049339017 /nfs/dbraw/zinc/33/90/17/1049339017.db2.gz QFXVTLFSINYMSE-UHFFFAOYSA-N 1 2 367.768 2.643 20 5 FFBDLO Nc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2cccnc2)cc1[N+](=O)[O-] ZINC001330831162 1049352519 /nfs/dbraw/zinc/35/25/19/1049352519.db2.gz HDXNUOQKWDQDJU-MRXNPFEDSA-N 1 2 355.398 2.565 20 5 FFBDLO Nc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)cc1[N+](=O)[O-] ZINC001330831162 1049352533 /nfs/dbraw/zinc/35/25/33/1049352533.db2.gz HDXNUOQKWDQDJU-MRXNPFEDSA-N 1 2 355.398 2.565 20 5 FFBDLO C[C@@H](NC(=O)N1CCC(c2c[nH+]cn2C)CC1)c1ccccc1[N+](=O)[O-] ZINC001342172941 1050767138 /nfs/dbraw/zinc/76/71/38/1050767138.db2.gz LKOQLDTWKRTHIW-CYBMUJFWSA-N 1 2 357.414 2.979 20 5 FFBDLO CN(CCCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1cccc[nH+]1 ZINC001302976423 1051244286 /nfs/dbraw/zinc/24/42/86/1051244286.db2.gz QNQZLFWWSGAEFE-UHFFFAOYSA-N 1 2 365.393 2.794 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC001308018284 1052385569 /nfs/dbraw/zinc/38/55/69/1052385569.db2.gz RESYYGPRRDPCQX-QGZVFWFLSA-N 1 2 354.410 2.983 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC001308018284 1052385575 /nfs/dbraw/zinc/38/55/75/1052385575.db2.gz RESYYGPRRDPCQX-QGZVFWFLSA-N 1 2 354.410 2.983 20 5 FFBDLO Cc1noc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1[N+](=O)[O-] ZINC001308034831 1052388918 /nfs/dbraw/zinc/38/89/18/1052388918.db2.gz MWWNEGDBYMRHRF-FZMZJTMJSA-N 1 2 359.304 2.515 20 5 FFBDLO COc1c(O)ccc(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)c1[N+](=O)[O-] ZINC001308567604 1052471203 /nfs/dbraw/zinc/47/12/03/1052471203.db2.gz IEJPSWZXPLWWEL-HXUWFJFHSA-N 1 2 370.405 2.983 20 5 FFBDLO COc1c(O)ccc(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)c1[N+](=O)[O-] ZINC001308567604 1052471208 /nfs/dbraw/zinc/47/12/08/1052471208.db2.gz IEJPSWZXPLWWEL-HXUWFJFHSA-N 1 2 370.405 2.983 20 5 FFBDLO Cn1nc2c(c1C[NH+]1CCN(c3ccc([N+](=O)[O-])cc3)CC1)CCCC2 ZINC001308653553 1052482397 /nfs/dbraw/zinc/48/23/97/1052482397.db2.gz FSKCYYSYUQNDMK-UHFFFAOYSA-N 1 2 355.442 2.529 20 5 FFBDLO CCC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1F ZINC001335083987 1053210480 /nfs/dbraw/zinc/21/04/80/1053210480.db2.gz JADUJBXUZSFDGD-HNNXBMFYSA-N 1 2 352.362 2.724 20 5 FFBDLO CCC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1F ZINC001335083987 1053210486 /nfs/dbraw/zinc/21/04/86/1053210486.db2.gz JADUJBXUZSFDGD-HNNXBMFYSA-N 1 2 352.362 2.724 20 5 FFBDLO CCn1c[nH+]cc1COC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC001346747786 1053278876 /nfs/dbraw/zinc/27/88/76/1053278876.db2.gz NMRBIMOQFDWSFX-UHFFFAOYSA-N 1 2 351.384 2.899 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccc3c(c2)COC3)CC1 ZINC001337364011 1054688673 /nfs/dbraw/zinc/68/86/73/1054688673.db2.gz HUQSBPMFQAXIAL-UHFFFAOYSA-N 1 2 367.405 2.583 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCCC[C@]12CCCOC2 ZINC001338527660 1055594861 /nfs/dbraw/zinc/59/48/61/1055594861.db2.gz IVHUPOSEOZNRFT-LJQANCHMSA-N 1 2 370.409 2.956 20 5 FFBDLO CCn1c(C[NH+]2CCCCC2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001339651057 1056677762 /nfs/dbraw/zinc/67/77/62/1056677762.db2.gz BEZDAGTWRHFXDL-UHFFFAOYSA-N 1 2 358.446 2.829 20 5 FFBDLO COC(=O)c1cc(C(=O)N2CCC[C@H]2c2[nH]c(C)c(C)[nH+]2)cc([N+](=O)[O-])c1 ZINC001455758369 1059901883 /nfs/dbraw/zinc/90/18/83/1059901883.db2.gz BXTORGOZYLMHEE-HNNXBMFYSA-N 1 2 372.381 2.699 20 5 FFBDLO Cn1c[nH+]cc1C1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC001520890962 1060173731 /nfs/dbraw/zinc/17/37/31/1060173731.db2.gz LESKYBHBZUIGHQ-UHFFFAOYSA-N 1 2 367.409 2.758 20 5 FFBDLO COC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1ccccc1 ZINC001458070874 1060504076 /nfs/dbraw/zinc/50/40/76/1060504076.db2.gz RTMSGPQFRDIDSI-INIZCTEOSA-N 1 2 366.377 2.898 20 5 FFBDLO CCc1nocc1CN(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001522721218 1062264947 /nfs/dbraw/zinc/26/49/47/1062264947.db2.gz OMLFAGDINHOECQ-UHFFFAOYSA-N 1 2 355.354 2.603 20 5 FFBDLO O=C(NCCc1ccc(F)cc1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001530299656 1062539742 /nfs/dbraw/zinc/53/97/42/1062539742.db2.gz HYGDNNPUQAQLNY-UHFFFAOYSA-N 1 2 354.341 2.892 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2ncccn2)C1 ZINC001560151101 1076236949 /nfs/dbraw/zinc/23/69/49/1076236949.db2.gz WANMGYKWKVOHBY-KGLIPLIRSA-N 1 2 355.398 2.591 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2ncccn2)C1 ZINC001560151101 1076236952 /nfs/dbraw/zinc/23/69/52/1076236952.db2.gz WANMGYKWKVOHBY-KGLIPLIRSA-N 1 2 355.398 2.591 20 5 FFBDLO C[C@H](O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)cc1 ZINC001566184207 1076930484 /nfs/dbraw/zinc/93/04/84/1076930484.db2.gz XWDIWQZQPJKZHN-ZDUSSCGKSA-N 1 2 366.377 2.764 20 5 FFBDLO CC(C)n1ccc(COC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC001587869728 1079882367 /nfs/dbraw/zinc/88/23/67/1079882367.db2.gz UQAFYANJCQWJNU-UHFFFAOYSA-N 1 2 355.354 2.915 20 5 FFBDLO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)C2)CC1 ZINC000101951096 250095646 /nfs/dbraw/zinc/09/56/46/250095646.db2.gz POMCKUSEPNGNDD-HNNXBMFYSA-N 1 2 361.442 2.885 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000272507641 252055147 /nfs/dbraw/zinc/05/51/47/252055147.db2.gz IHMYCKFOCGWGCH-RBUKOAKNSA-N 1 2 366.421 2.611 20 5 FFBDLO CN(C)c1ccc(C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000272561246 252068303 /nfs/dbraw/zinc/06/83/03/252068303.db2.gz TZKLLXOTUUXCAM-GOSISDBHSA-N 1 2 366.425 2.669 20 5 FFBDLO COc1ccc([C@@H](CNc2ccc(N)cc2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000285749701 257002821 /nfs/dbraw/zinc/00/28/21/257002821.db2.gz URKQTEWQZSXPMA-LJQANCHMSA-N 1 2 372.425 2.671 20 5 FFBDLO Cc1cc(NC(=O)N[C@H]2CCO[C@H](c3c[nH+]cn3C)C2)ccc1[N+](=O)[O-] ZINC000276091247 256071613 /nfs/dbraw/zinc/07/16/13/256071613.db2.gz VYPZHVDRAZCHSD-BBRMVZONSA-N 1 2 359.386 2.679 20 5 FFBDLO CCc1cc(N2CC[C@H](C)[S@](=O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000277219672 256173594 /nfs/dbraw/zinc/17/35/94/256173594.db2.gz RMXKOWKHVTYVLD-WHDAMIPWSA-N 1 2 374.466 2.962 20 5 FFBDLO CCOc1cc(C[N@@H+]2CCC[C@H]2C(=O)NCc2ccco2)ccc1[N+](=O)[O-] ZINC000276942786 256145060 /nfs/dbraw/zinc/14/50/60/256145060.db2.gz SMKXGOXFHWYUMU-KRWDZBQOSA-N 1 2 373.409 2.867 20 5 FFBDLO CCOc1cc(C[N@H+]2CCC[C@H]2C(=O)NCc2ccco2)ccc1[N+](=O)[O-] ZINC000276942786 256145062 /nfs/dbraw/zinc/14/50/62/256145062.db2.gz SMKXGOXFHWYUMU-KRWDZBQOSA-N 1 2 373.409 2.867 20 5 FFBDLO CC(C)c1ccc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000285971018 257013848 /nfs/dbraw/zinc/01/38/48/257013848.db2.gz WMVKJQCTQSGHIN-GDBMZVCRSA-N 1 2 361.442 2.653 20 5 FFBDLO Cc1ccc(C)c(S(=O)(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)c1[N+](=O)[O-] ZINC000288960518 257241930 /nfs/dbraw/zinc/24/19/30/257241930.db2.gz PXQQBTHEWOEXPG-GFCCVEGCSA-N 1 2 352.416 2.610 20 5 FFBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000289636628 257291278 /nfs/dbraw/zinc/29/12/78/257291278.db2.gz CLYGBBOBTOCUJZ-UHFFFAOYSA-N 1 2 369.425 2.902 20 5 FFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000290063371 257313448 /nfs/dbraw/zinc/31/34/48/257313448.db2.gz XWJPXICSTITISX-NHYWBVRUSA-N 1 2 363.805 2.719 20 5 FFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000290063371 257313449 /nfs/dbraw/zinc/31/34/49/257313449.db2.gz XWJPXICSTITISX-NHYWBVRUSA-N 1 2 363.805 2.719 20 5 FFBDLO Cc1cc(NCC(=O)N2CCCCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301064795 258022773 /nfs/dbraw/zinc/02/27/73/258022773.db2.gz AIRIEPNGXUVUSD-UHFFFAOYSA-N 1 2 355.398 2.785 20 5 FFBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1NCCn1c(C)[nH+]c2ccccc21 ZINC000301096958 258024427 /nfs/dbraw/zinc/02/44/27/258024427.db2.gz JVRSDMSCWSBION-UHFFFAOYSA-N 1 2 353.382 2.725 20 5 FFBDLO Cc1c(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000299622036 258011130 /nfs/dbraw/zinc/01/11/30/258011130.db2.gz FBKMSXSZUFRJPZ-UHFFFAOYSA-N 1 2 373.369 2.863 20 5 FFBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299655978 258014193 /nfs/dbraw/zinc/01/41/93/258014193.db2.gz LYTJUMCAQAVPLE-UHFFFAOYSA-N 1 2 353.382 2.679 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000302058212 258085023 /nfs/dbraw/zinc/08/50/23/258085023.db2.gz AUTSYMLDLLBCQU-UHFFFAOYSA-N 1 2 356.382 2.989 20 5 FFBDLO Cc1cc(NCc2cc(C(N)=O)co2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302486861 258103477 /nfs/dbraw/zinc/10/34/77/258103477.db2.gz YRVZSRKDLVIASV-UHFFFAOYSA-N 1 2 353.338 2.664 20 5 FFBDLO Cc1cc(N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c(Br)cc1[N+](=O)[O-] ZINC000302718286 258108859 /nfs/dbraw/zinc/10/88/59/258108859.db2.gz YZXJVBNOINFZFF-NWDGAFQWSA-N 1 2 372.263 2.557 20 5 FFBDLO Cc1cc(N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c(Br)cc1[N+](=O)[O-] ZINC000302718286 258108860 /nfs/dbraw/zinc/10/88/60/258108860.db2.gz YZXJVBNOINFZFF-NWDGAFQWSA-N 1 2 372.263 2.557 20 5 FFBDLO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000312707551 258115408 /nfs/dbraw/zinc/11/54/08/258115408.db2.gz SIYJHTMYANYJJE-MRXNPFEDSA-N 1 2 369.421 2.942 20 5 FFBDLO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000312707551 258115409 /nfs/dbraw/zinc/11/54/09/258115409.db2.gz SIYJHTMYANYJJE-MRXNPFEDSA-N 1 2 369.421 2.942 20 5 FFBDLO COC(=O)c1cc(NCCc2cn3ccccc3[nH+]2)cc(C)c1[N+](=O)[O-] ZINC000301576823 258056909 /nfs/dbraw/zinc/05/69/09/258056909.db2.gz QRHOZRXEZTYOJB-UHFFFAOYSA-N 1 2 354.366 2.992 20 5 FFBDLO COC(=O)c1cc([N+](=O)[O-])c(N[C@@H](C)[C@H](C)[NH+]2CCOCC2)cc1Cl ZINC000301679050 258062738 /nfs/dbraw/zinc/06/27/38/258062738.db2.gz RGMBEPIJBQBDDE-QWRGUYRKSA-N 1 2 371.821 2.556 20 5 FFBDLO Cc1cc(N[C@@H]2CCCC[C@H]2C(N)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301835587 258069801 /nfs/dbraw/zinc/06/98/01/258069801.db2.gz UNAOXZLZKHOJJF-HUUCEWRRSA-N 1 2 355.398 2.816 20 5 FFBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])CCC2 ZINC000366697890 512145294 /nfs/dbraw/zinc/14/52/94/512145294.db2.gz DKPKDWUQVGHFMJ-OAHLLOKOSA-N 1 2 357.414 2.519 20 5 FFBDLO O=C(COc1cccc([N+](=O)[O-])c1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000032313711 506241597 /nfs/dbraw/zinc/24/15/97/506241597.db2.gz QNSNPVGHJDSKJS-UHFFFAOYSA-N 1 2 366.377 2.535 20 5 FFBDLO Cc1cc(C(=O)N2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)c(C)o1 ZINC000053331935 506356139 /nfs/dbraw/zinc/35/61/39/506356139.db2.gz NWFUSCSALWDMFG-UHFFFAOYSA-N 1 2 357.410 2.805 20 5 FFBDLO O=C(CNc1ccccc1[N+](=O)[O-])NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000065866172 506382287 /nfs/dbraw/zinc/38/22/87/506382287.db2.gz BODRJLCPNLHABO-UHFFFAOYSA-N 1 2 365.393 2.568 20 5 FFBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3noc(-c4ccccc4)n3)CC2)n1 ZINC000366747386 512168829 /nfs/dbraw/zinc/16/88/29/512168829.db2.gz URRFCZZPLANNIZ-UHFFFAOYSA-N 1 2 354.370 2.678 20 5 FFBDLO O=[N+]([O-])c1cccc([C@@H]([NH2+]Cc2nnc3n2CCOC3)c2ccccc2)c1 ZINC000368988953 512170215 /nfs/dbraw/zinc/17/02/15/512170215.db2.gz DTKGCFIOCLDRPJ-IBGZPJMESA-N 1 2 365.393 2.596 20 5 FFBDLO COC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000054394557 506551372 /nfs/dbraw/zinc/55/13/72/506551372.db2.gz QWXIWTAJYZSCQH-NSHDSACASA-N 1 2 369.805 2.604 20 5 FFBDLO COC(=O)C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000054394557 506551379 /nfs/dbraw/zinc/55/13/79/506551379.db2.gz QWXIWTAJYZSCQH-NSHDSACASA-N 1 2 369.805 2.604 20 5 FFBDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000055430419 506750783 /nfs/dbraw/zinc/75/07/83/506750783.db2.gz XTPVNGMLWPARQE-UHFFFAOYSA-N 1 2 353.382 2.776 20 5 FFBDLO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000367074975 512325353 /nfs/dbraw/zinc/32/53/53/512325353.db2.gz RABRUNJKXIIRCR-GFCCVEGCSA-N 1 2 368.353 2.935 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375440751 512329535 /nfs/dbraw/zinc/32/95/35/512329535.db2.gz XTGNXEFAVXSHMN-YPMHNXCESA-N 1 2 371.397 2.672 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375440751 512329538 /nfs/dbraw/zinc/32/95/38/512329538.db2.gz XTGNXEFAVXSHMN-YPMHNXCESA-N 1 2 371.397 2.672 20 5 FFBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000367085244 512331103 /nfs/dbraw/zinc/33/11/03/512331103.db2.gz PMWIZYNNXWQOCG-OAHLLOKOSA-N 1 2 368.418 2.991 20 5 FFBDLO Cc1cc(NCCOC[C@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000068771741 507320562 /nfs/dbraw/zinc/32/05/62/507320562.db2.gz DJJMSPJJJCFMIQ-AWEZNQCLSA-N 1 2 358.398 2.825 20 5 FFBDLO C[C@@H]1CCCN(c2ccc(C(=O)NCCCn3cc[nH+]c3)cc2[N+](=O)[O-])C1 ZINC000023238586 507338712 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20 5 FFBDLO CC(=O)c1ccc(NCc2cc[nH+]c(N3CCOCC3)c2)c([N+](=O)[O-])c1 ZINC000026717171 507603784 /nfs/dbraw/zinc/60/37/84/507603784.db2.gz KZCZVRNEPLHPOH-UHFFFAOYSA-N 1 2 356.382 2.641 20 5 FFBDLO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000070878112 507650911 /nfs/dbraw/zinc/65/09/11/507650911.db2.gz WJXYSRDGIZVIJV-OAHLLOKOSA-N 1 2 359.382 2.850 20 5 FFBDLO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1Cl ZINC000070880211 507651989 /nfs/dbraw/zinc/65/19/89/507651989.db2.gz RTGGIXUIBOLERO-OAHLLOKOSA-N 1 2 363.801 2.987 20 5 FFBDLO CN(Cc1[nH+]ccn1C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050553238 507692319 /nfs/dbraw/zinc/69/23/19/507692319.db2.gz JLHOGAWFUQUUHA-UHFFFAOYSA-N 1 2 357.395 2.724 20 5 FFBDLO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[NH+](C2CC2)CC1 ZINC000050627468 507696192 /nfs/dbraw/zinc/69/61/92/507696192.db2.gz VWZBTDGWOFNWSY-UHFFFAOYSA-N 1 2 358.423 2.639 20 5 FFBDLO CCOc1ccc(C(=O)NCc2cn3ccc(C)cc3[nH+]2)cc1[N+](=O)[O-] 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CCOCCO[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000092067610 508038850 /nfs/dbraw/zinc/03/88/50/508038850.db2.gz GRIVKVIZRYAAPM-AWEZNQCLSA-N 1 2 360.357 2.824 20 5 FFBDLO CNC(=O)CC1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000080613063 508088771 /nfs/dbraw/zinc/08/87/71/508088771.db2.gz ZOVZDHCUMQAPKE-UHFFFAOYSA-N 1 2 369.425 2.713 20 5 FFBDLO O=[N+]([O-])c1ccc(NCc2ccccc2OCC[NH+]2CCOCC2)s1 ZINC000080970532 508120708 /nfs/dbraw/zinc/12/07/08/508120708.db2.gz FDGPDJAILBDMED-UHFFFAOYSA-N 1 2 363.439 2.979 20 5 FFBDLO COc1ccccc1C[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000076227708 508173286 /nfs/dbraw/zinc/17/32/86/508173286.db2.gz CFBZWOORLGKNGG-UHFFFAOYSA-N 1 2 355.394 2.561 20 5 FFBDLO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCc3[nH]cc[nH+]3)cc2[N+](=O)[O-])C1 ZINC000114337793 508305530 /nfs/dbraw/zinc/30/55/30/508305530.db2.gz BBOJRWDXRCMOPS-BETUJISGSA-N 1 2 357.414 2.730 20 5 FFBDLO O=C(Nc1nccs1)[C@@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000114471601 508319496 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Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000135575845 508626889 /nfs/dbraw/zinc/62/68/89/508626889.db2.gz NVNAFZGXFHDOJT-OAHLLOKOSA-N 1 2 368.397 2.888 20 5 FFBDLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000135575845 508626894 /nfs/dbraw/zinc/62/68/94/508626894.db2.gz NVNAFZGXFHDOJT-OAHLLOKOSA-N 1 2 368.397 2.888 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCS[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000118420543 508650498 /nfs/dbraw/zinc/65/04/98/508650498.db2.gz WCMCBGPFZVDSFK-NWDGAFQWSA-N 1 2 353.444 2.758 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+]2CCS[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000118420543 508650500 /nfs/dbraw/zinc/65/05/00/508650500.db2.gz WCMCBGPFZVDSFK-NWDGAFQWSA-N 1 2 353.444 2.758 20 5 FFBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000159537352 508854396 /nfs/dbraw/zinc/85/43/96/508854396.db2.gz BPYOUZZCXGSDPV-UHFFFAOYSA-N 1 2 369.425 2.632 20 5 FFBDLO CC(C)Cn1cc[nH+]c1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000131076739 508884270 /nfs/dbraw/zinc/88/42/70/508884270.db2.gz TWKXISHOGDHYNP-UHFFFAOYSA-N 1 2 371.441 2.978 20 5 FFBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000119939321 508894045 /nfs/dbraw/zinc/89/40/45/508894045.db2.gz OLBODARCKFBWRC-HNNXBMFYSA-N 1 2 372.425 2.579 20 5 FFBDLO Cc1sc(S(=O)(=O)N2CC[N@@H+](C)CC23CCCCC3)cc1[N+](=O)[O-] ZINC000125099025 508930992 /nfs/dbraw/zinc/93/09/92/508930992.db2.gz CLNJEDNFVIUBQI-UHFFFAOYSA-N 1 2 373.500 2.604 20 5 FFBDLO Cc1sc(S(=O)(=O)N2CC[N@H+](C)CC23CCCCC3)cc1[N+](=O)[O-] ZINC000125099025 508930996 /nfs/dbraw/zinc/93/09/96/508930996.db2.gz CLNJEDNFVIUBQI-UHFFFAOYSA-N 1 2 373.500 2.604 20 5 FFBDLO Cc1ccc2[nH+]c(CN3CCN(c4ccccc4[N+](=O)[O-])CC3)cn2c1 ZINC000120228247 508954608 /nfs/dbraw/zinc/95/46/08/508954608.db2.gz KPXJSCLZSIRFSZ-UHFFFAOYSA-N 1 2 351.410 2.873 20 5 FFBDLO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1OC ZINC000120329466 508974243 /nfs/dbraw/zinc/97/42/43/508974243.db2.gz JBWUUTNOGBMTBO-UHFFFAOYSA-N 1 2 374.397 2.676 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1cccnc1)C(C)C ZINC000125640936 509010814 /nfs/dbraw/zinc/01/08/14/509010814.db2.gz NAFLTUYDEVOFCW-UHFFFAOYSA-N 1 2 358.398 2.848 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1cccnc1)C(C)C ZINC000125640936 509010819 /nfs/dbraw/zinc/01/08/19/509010819.db2.gz NAFLTUYDEVOFCW-UHFFFAOYSA-N 1 2 358.398 2.848 20 5 FFBDLO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC([C@@H](O)C(F)(F)F)CC3)nc2c1 ZINC000161327759 509102625 /nfs/dbraw/zinc/10/26/25/509102625.db2.gz KUPBJJOPNKVFOJ-CQSZACIVSA-N 1 2 359.304 2.871 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCOC[C@H]1c1cccn1C ZINC000162423891 509220597 /nfs/dbraw/zinc/22/05/97/509220597.db2.gz ZBEALCINMKVSOR-SFHVURJKSA-N 1 2 372.425 2.644 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOC[C@H]1c1cccn1C ZINC000162423891 509220608 /nfs/dbraw/zinc/22/06/08/509220608.db2.gz ZBEALCINMKVSOR-SFHVURJKSA-N 1 2 372.425 2.644 20 5 FFBDLO Cc1cc(C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)cc([N+](=O)[O-])c1 ZINC000264105667 509333903 /nfs/dbraw/zinc/33/39/03/509333903.db2.gz IFCBAMDCOQOVMF-UHFFFAOYSA-N 1 2 356.304 2.934 20 5 FFBDLO Cn1c(=O)c2ccc([N+](=O)[O-])cc2nc1SCc1cn2ccccc2[nH+]1 ZINC000185751100 509337982 /nfs/dbraw/zinc/33/79/82/509337982.db2.gz UARWXQJCKPIGDL-UHFFFAOYSA-N 1 2 367.390 2.782 20 5 FFBDLO C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000226688651 509401631 /nfs/dbraw/zinc/40/16/31/509401631.db2.gz PTXOLFCSOBFJIT-IUODEOHRSA-N 1 2 373.388 2.642 20 5 FFBDLO C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000226688651 509401637 /nfs/dbraw/zinc/40/16/37/509401637.db2.gz PTXOLFCSOBFJIT-IUODEOHRSA-N 1 2 373.388 2.642 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(C(=O)Cc2ccccc2)CC1 ZINC000183253506 509681660 /nfs/dbraw/zinc/68/16/60/509681660.db2.gz YXBVJNIDUNHHHS-UHFFFAOYSA-N 1 2 353.422 2.790 20 5 FFBDLO C[N@@H+]1CC[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccccc1 ZINC000180146815 509778802 /nfs/dbraw/zinc/77/88/02/509778802.db2.gz KAUABHDMDALFDP-WMZOPIPTSA-N 1 2 365.393 2.646 20 5 FFBDLO C[N@H+]1CC[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccccc1 ZINC000180146815 509778809 /nfs/dbraw/zinc/77/88/09/509778809.db2.gz KAUABHDMDALFDP-WMZOPIPTSA-N 1 2 365.393 2.646 20 5 FFBDLO CN(C)c1ccc(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c[nH+]1 ZINC000268146907 509779832 /nfs/dbraw/zinc/77/98/32/509779832.db2.gz OLAXKRGKPJPVBX-UHFFFAOYSA-N 1 2 363.805 2.709 20 5 FFBDLO COc1cc(C[N@@H+]2CCOC[C@@H]2C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180196640 509805032 /nfs/dbraw/zinc/80/50/32/509805032.db2.gz KONCYKXYYRSHPU-CQSZACIVSA-N 1 2 372.368 2.858 20 5 FFBDLO COc1cc(C[N@H+]2CCOC[C@@H]2C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180196640 509805037 /nfs/dbraw/zinc/80/50/37/509805037.db2.gz KONCYKXYYRSHPU-CQSZACIVSA-N 1 2 372.368 2.858 20 5 FFBDLO C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@@H](C)[NH+]1CCOCC1 ZINC000170885529 509831825 /nfs/dbraw/zinc/83/18/25/509831825.db2.gz GGFSATKLFFSCTK-VXGBXAGGSA-N 1 2 363.439 2.649 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCS[C@@H](CC)C2)c([N+](=O)[O-])c1 ZINC000173929587 509859304 /nfs/dbraw/zinc/85/93/04/509859304.db2.gz FMYIVCWYXPVJBS-ZDUSSCGKSA-N 1 2 353.444 2.759 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+]2CCS[C@@H](CC)C2)c([N+](=O)[O-])c1 ZINC000173929587 509859313 /nfs/dbraw/zinc/85/93/13/509859313.db2.gz FMYIVCWYXPVJBS-ZDUSSCGKSA-N 1 2 353.444 2.759 20 5 FFBDLO Cc1cccc(C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c1[N+](=O)[O-] ZINC000265139317 509883558 /nfs/dbraw/zinc/88/35/58/509883558.db2.gz BFYKEYGSAKIOKR-HNNXBMFYSA-N 1 2 354.410 2.817 20 5 FFBDLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000245400309 509903483 /nfs/dbraw/zinc/90/34/83/509903483.db2.gz BQYUJHXSQXPPPQ-XFQXTVEOSA-N 1 2 372.421 2.797 20 5 FFBDLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000245400309 509903490 /nfs/dbraw/zinc/90/34/90/509903490.db2.gz BQYUJHXSQXPPPQ-XFQXTVEOSA-N 1 2 372.421 2.797 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000177226361 509947454 /nfs/dbraw/zinc/94/74/54/509947454.db2.gz DLIYXHHXNCPSQT-YJBOKZPZSA-N 1 2 363.458 2.535 20 5 FFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCc3ccccc3[C@H]2CO)c2c(c1)COCO2 ZINC000268494284 509967013 /nfs/dbraw/zinc/96/70/13/509967013.db2.gz PQWMQZNFVUWKLP-GOSISDBHSA-N 1 2 356.378 2.553 20 5 FFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCc3ccccc3[C@H]2CO)c2c(c1)COCO2 ZINC000268494284 509967017 /nfs/dbraw/zinc/96/70/17/509967017.db2.gz PQWMQZNFVUWKLP-GOSISDBHSA-N 1 2 356.378 2.553 20 5 FFBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000265296800 509973814 /nfs/dbraw/zinc/97/38/14/509973814.db2.gz OXVZEZYSEPQBME-ZDUSSCGKSA-N 1 2 358.373 2.648 20 5 FFBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000184040142 510100806 /nfs/dbraw/zinc/10/08/06/510100806.db2.gz KKWIVINPTFSILT-GFCCVEGCSA-N 1 2 361.427 2.962 20 5 FFBDLO CCc1cc(N2CC[S@](=O)[C@H](C)[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000265571340 510120548 /nfs/dbraw/zinc/12/05/48/510120548.db2.gz DXOUHOHMVIYQKD-CXHCJZKCSA-N 1 2 374.466 2.960 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000177564420 510136556 /nfs/dbraw/zinc/13/65/56/510136556.db2.gz JAAGAJRTUJPWSQ-IUODEOHRSA-N 1 2 359.386 2.915 20 5 FFBDLO COC(=O)C[N@H+](CCc1ccccc1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000181021433 510243613 /nfs/dbraw/zinc/24/36/13/510243613.db2.gz ILEQTQWWHJOJIG-UHFFFAOYSA-N 1 2 358.394 2.821 20 5 FFBDLO COC(=O)C[N@@H+](CCc1ccccc1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000181021433 510243619 /nfs/dbraw/zinc/24/36/19/510243619.db2.gz ILEQTQWWHJOJIG-UHFFFAOYSA-N 1 2 358.394 2.821 20 5 FFBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000178065184 510411251 /nfs/dbraw/zinc/41/12/51/510411251.db2.gz PAIXSHCZQOEAPD-UHFFFAOYSA-N 1 2 365.393 2.773 20 5 FFBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)c1 ZINC000246372647 510451856 /nfs/dbraw/zinc/45/18/56/510451856.db2.gz YTBMZQFMISNCOJ-QZTJIDSGSA-N 1 2 364.348 2.980 20 5 FFBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)c1 ZINC000246372647 510451861 /nfs/dbraw/zinc/45/18/61/510451861.db2.gz YTBMZQFMISNCOJ-QZTJIDSGSA-N 1 2 364.348 2.980 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(NCc2ccccc2OCC[NH+]2CCOCC2)n1 ZINC000178197611 510485542 /nfs/dbraw/zinc/48/55/42/510485542.db2.gz RWSYVHNVKZIYGE-UHFFFAOYSA-N 1 2 372.425 2.621 20 5 FFBDLO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000194753817 510513178 /nfs/dbraw/zinc/51/31/78/510513178.db2.gz TYQFXRQZAOOBKN-HNNXBMFYSA-N 1 2 355.394 2.552 20 5 FFBDLO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000194753817 510513186 /nfs/dbraw/zinc/51/31/86/510513186.db2.gz TYQFXRQZAOOBKN-HNNXBMFYSA-N 1 2 355.394 2.552 20 5 FFBDLO C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000246705412 510626862 /nfs/dbraw/zinc/62/68/62/510626862.db2.gz KWPPKDREGWPIDM-XIKOKIGWSA-N 1 2 373.384 2.795 20 5 FFBDLO C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000246705412 510626870 /nfs/dbraw/zinc/62/68/70/510626870.db2.gz KWPPKDREGWPIDM-XIKOKIGWSA-N 1 2 373.384 2.795 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000191402877 510642115 /nfs/dbraw/zinc/64/21/15/510642115.db2.gz LOMCOKMOUVMRMV-UHFFFAOYSA-N 1 2 355.398 2.961 20 5 FFBDLO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000185128398 510701403 /nfs/dbraw/zinc/70/14/03/510701403.db2.gz MQYCNBQFACRLSR-UHFFFAOYSA-N 1 2 357.410 2.813 20 5 FFBDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CC2)S1 ZINC000266641787 510705114 /nfs/dbraw/zinc/70/51/14/510705114.db2.gz CIMPQNPERJQHSN-NSHDSACASA-N 1 2 374.422 2.590 20 5 FFBDLO C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1nc(C(C)(C)C)no1 ZINC000185174995 510728746 /nfs/dbraw/zinc/72/87/46/510728746.db2.gz NDLWNPQCEAMNBZ-NSHDSACASA-N 1 2 373.413 2.515 20 5 FFBDLO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3[nH+]c(N(C)C)ccc3c2)n1 ZINC000191576505 510733413 /nfs/dbraw/zinc/73/34/13/510733413.db2.gz UGAWRJOCMDOIBH-UHFFFAOYSA-N 1 2 354.370 2.678 20 5 FFBDLO CCC1(CC)C[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])CC[S@@]1=O ZINC000185242622 510768338 /nfs/dbraw/zinc/76/83/38/510768338.db2.gz RXLWMRAIZGLMEF-VWLOTQADSA-N 1 2 370.471 2.605 20 5 FFBDLO CCC1(CC)C[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])CC[S@@]1=O ZINC000185242622 510768342 /nfs/dbraw/zinc/76/83/42/510768342.db2.gz RXLWMRAIZGLMEF-VWLOTQADSA-N 1 2 370.471 2.605 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCO[C@@]4(CCCOC4)C3)co2)cc1 ZINC000285440180 510907820 /nfs/dbraw/zinc/90/78/20/510907820.db2.gz XMHVZCRGOUZXOJ-SFHVURJKSA-N 1 2 359.382 2.631 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCO[C@@]4(CCCOC4)C3)co2)cc1 ZINC000285440180 510907825 /nfs/dbraw/zinc/90/78/25/510907825.db2.gz XMHVZCRGOUZXOJ-SFHVURJKSA-N 1 2 359.382 2.631 20 5 FFBDLO C[C@H](O)C[C@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000279822779 511229823 /nfs/dbraw/zinc/22/98/23/511229823.db2.gz QQOIGGPCHLLRHL-DZGCQCFKSA-N 1 2 358.398 2.546 20 5 FFBDLO CC(C)(C[C@@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1)C(N)=O ZINC000295073907 511272482 /nfs/dbraw/zinc/27/24/82/511272482.db2.gz APLQYLQWLVUAAL-NSHDSACASA-N 1 2 355.385 2.987 20 5 FFBDLO CC(C)(C[C@@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1)C(N)=O ZINC000295073907 511272487 /nfs/dbraw/zinc/27/24/87/511272487.db2.gz APLQYLQWLVUAAL-NSHDSACASA-N 1 2 355.385 2.987 20 5 FFBDLO CCn1cc[nH+]c1CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000298558454 511328429 /nfs/dbraw/zinc/32/84/29/511328429.db2.gz ZWBJWRREIJGUDG-UHFFFAOYSA-N 1 2 373.413 2.564 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000283454549 511372228 /nfs/dbraw/zinc/37/22/28/511372228.db2.gz LANUXEDWHLHDCC-UHFFFAOYSA-N 1 2 370.409 2.919 20 5 FFBDLO Cc1cc(N2CCO[C@@]3(CCO[C@H]3C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000280223331 511381909 /nfs/dbraw/zinc/38/19/09/511381909.db2.gz HHYDIXFJMHWQJZ-LIRRHRJNSA-N 1 2 370.409 2.744 20 5 FFBDLO C[C@@H](c1cn(-c2ccccc2)nn1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365512704 511496257 /nfs/dbraw/zinc/49/62/57/511496257.db2.gz NLHHILXXMNOVHF-AWEZNQCLSA-N 1 2 367.413 2.770 20 5 FFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000280582563 511520700 /nfs/dbraw/zinc/52/07/00/511520700.db2.gz SWXIESIBEHWVBB-VFVRVIDISA-N 1 2 374.397 2.586 20 5 FFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000280582563 511520705 /nfs/dbraw/zinc/52/07/05/511520705.db2.gz SWXIESIBEHWVBB-VFVRVIDISA-N 1 2 374.397 2.586 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(CC(F)(F)F)C1CC1 ZINC000299136696 511528282 /nfs/dbraw/zinc/52/82/82/511528282.db2.gz QLGFQBFHDLFJIL-UHFFFAOYSA-N 1 2 354.288 2.947 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCCCn2c(C)[nH+]c3ccccc32)n1 ZINC000280988011 511678928 /nfs/dbraw/zinc/67/89/28/511678928.db2.gz OBQXICGADLMAEC-UHFFFAOYSA-N 1 2 369.381 2.937 20 5 FFBDLO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1cccc(O)c1[N+](=O)[O-] ZINC000281078755 511712955 /nfs/dbraw/zinc/71/29/55/511712955.db2.gz CJQNOEWVMGCBDG-INIZCTEOSA-N 1 2 355.394 2.867 20 5 FFBDLO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000274089312 511715726 /nfs/dbraw/zinc/71/57/26/511715726.db2.gz IKEKJYBJFMOYPP-MRXNPFEDSA-N 1 2 364.423 2.864 20 5 FFBDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000274089312 511715731 /nfs/dbraw/zinc/71/57/31/511715731.db2.gz IKEKJYBJFMOYPP-MRXNPFEDSA-N 1 2 364.423 2.864 20 5 FFBDLO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000274208271 511753971 /nfs/dbraw/zinc/75/39/71/511753971.db2.gz SQDBGFYVRSXLAB-INIZCTEOSA-N 1 2 371.458 2.955 20 5 FFBDLO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000274208271 511753978 /nfs/dbraw/zinc/75/39/78/511753978.db2.gz SQDBGFYVRSXLAB-INIZCTEOSA-N 1 2 371.458 2.955 20 5 FFBDLO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])C2)CC1 ZINC000365980981 511763432 /nfs/dbraw/zinc/76/34/32/511763432.db2.gz SPWLZPRXXJCQQH-HNNXBMFYSA-N 1 2 361.442 2.885 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(NC[C@H]3C[N@H+](Cc4ccccc4)CCO3)nc2c1 ZINC000312341636 511784557 /nfs/dbraw/zinc/78/45/57/511784557.db2.gz OISFWXDBEWKNOX-INIZCTEOSA-N 1 2 367.409 2.784 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(NC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)nc2c1 ZINC000312341636 511784564 /nfs/dbraw/zinc/78/45/64/511784564.db2.gz OISFWXDBEWKNOX-INIZCTEOSA-N 1 2 367.409 2.784 20 5 FFBDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293165656 511866030 /nfs/dbraw/zinc/86/60/30/511866030.db2.gz RRKWWTHNNDBYFD-UWVGGRQHSA-N 1 2 368.377 2.867 20 5 FFBDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293165656 511866035 /nfs/dbraw/zinc/86/60/35/511866035.db2.gz RRKWWTHNNDBYFD-UWVGGRQHSA-N 1 2 368.377 2.867 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc(N3CCOCC3)n2)c(Cl)c1 ZINC000274859067 511966900 /nfs/dbraw/zinc/96/69/00/511966900.db2.gz ZENXAYDOEMJEDG-UHFFFAOYSA-N 1 2 362.817 2.770 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000275325756 512104139 /nfs/dbraw/zinc/10/41/39/512104139.db2.gz QLYFPXAEKKAKBU-WBMJQRKESA-N 1 2 359.386 2.679 20 5 FFBDLO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000377818732 512465203 /nfs/dbraw/zinc/46/52/03/512465203.db2.gz LMEUPWOVGKKCEL-INIZCTEOSA-N 1 2 369.421 2.895 20 5 FFBDLO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000377818732 512465206 /nfs/dbraw/zinc/46/52/06/512465206.db2.gz LMEUPWOVGKKCEL-INIZCTEOSA-N 1 2 369.421 2.895 20 5 FFBDLO Cc1cc(C)c(NC(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000411170435 512501461 /nfs/dbraw/zinc/50/14/61/512501461.db2.gz GRKLSMVZNMAEMN-UHFFFAOYSA-N 1 2 356.382 2.512 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000373937249 512581556 /nfs/dbraw/zinc/58/15/56/512581556.db2.gz JPIJSHIICUADMB-CQSZACIVSA-N 1 2 355.398 2.511 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000373937249 512581561 /nfs/dbraw/zinc/58/15/61/512581561.db2.gz JPIJSHIICUADMB-CQSZACIVSA-N 1 2 355.398 2.511 20 5 FFBDLO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)C[C@H](C)O2 ZINC000374018065 512624556 /nfs/dbraw/zinc/62/45/56/512624556.db2.gz MVMLEZMKXPQCDR-FHSNZYRGSA-N 1 2 361.398 2.894 20 5 FFBDLO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)C[C@H](C)O2 ZINC000374018065 512624562 /nfs/dbraw/zinc/62/45/62/512624562.db2.gz MVMLEZMKXPQCDR-FHSNZYRGSA-N 1 2 361.398 2.894 20 5 FFBDLO O=C(N[C@@H]1CCCC12CCOCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000374302288 512754977 /nfs/dbraw/zinc/75/49/77/512754977.db2.gz MPZQPNUAKCFHSQ-QGZVFWFLSA-N 1 2 370.409 2.860 20 5 FFBDLO CN(Cc1cn2c([nH+]1)CCCC2)c1ncc([N+](=O)[O-])cc1Br ZINC000370182729 512808747 /nfs/dbraw/zinc/80/87/47/512808747.db2.gz JNFVDEXILBJUFT-UHFFFAOYSA-N 1 2 366.219 2.922 20 5 FFBDLO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCn2c[nH+]cc2C1 ZINC000368125214 512812457 /nfs/dbraw/zinc/81/24/57/512812457.db2.gz LBRVSDJETHYESR-UHFFFAOYSA-N 1 2 366.175 2.602 20 5 FFBDLO Cc1ccnc(C2CC[NH+](CC(=O)Nc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000368331018 512901517 /nfs/dbraw/zinc/90/15/17/512901517.db2.gz ZDCZMGRUPQOMGU-UHFFFAOYSA-N 1 2 355.398 2.511 20 5 FFBDLO CC(C)c1n[nH]c(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000433767917 513145919 /nfs/dbraw/zinc/14/59/19/513145919.db2.gz ZBSLIVKQSFCZFA-AWEZNQCLSA-N 1 2 371.441 2.788 20 5 FFBDLO CC(C)c1n[nH]c(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000433767917 513145924 /nfs/dbraw/zinc/14/59/24/513145924.db2.gz ZBSLIVKQSFCZFA-AWEZNQCLSA-N 1 2 371.441 2.788 20 5 FFBDLO CC(C)c1[nH]nc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000433767917 513145928 /nfs/dbraw/zinc/14/59/28/513145928.db2.gz ZBSLIVKQSFCZFA-AWEZNQCLSA-N 1 2 371.441 2.788 20 5 FFBDLO CC(C)c1[nH]nc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000433767917 513145933 /nfs/dbraw/zinc/14/59/33/513145933.db2.gz ZBSLIVKQSFCZFA-AWEZNQCLSA-N 1 2 371.441 2.788 20 5 FFBDLO C[C@@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)Cn1cc[nH+]c1 ZINC000446161471 513200788 /nfs/dbraw/zinc/20/07/88/513200788.db2.gz LYKCCCIEUSFZAR-AWEZNQCLSA-N 1 2 360.417 2.944 20 5 FFBDLO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3ccco3)CC2)c(C(F)(F)F)c1 ZINC000413028521 513393585 /nfs/dbraw/zinc/39/35/85/513393585.db2.gz BTVGRPQMDOILGO-UHFFFAOYSA-N 1 2 356.304 2.924 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000421760964 513409785 /nfs/dbraw/zinc/40/97/85/513409785.db2.gz HHCKGQGRPIMISU-UHFFFAOYSA-N 1 2 356.304 2.900 20 5 FFBDLO O=C(NCC1CC1)[C@@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413065977 513419817 /nfs/dbraw/zinc/41/98/17/513419817.db2.gz VELCCQHUGPRIRI-OAHLLOKOSA-N 1 2 354.410 2.886 20 5 FFBDLO Cc1ccc(Cl)c(N(Cc2[nH]cc[nH+]2)C(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC000440900727 513431702 /nfs/dbraw/zinc/43/17/02/513431702.db2.gz KLJBPFQRVCNFPF-UHFFFAOYSA-N 1 2 374.788 2.860 20 5 FFBDLO Cc1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000429854896 513481042 /nfs/dbraw/zinc/48/10/42/513481042.db2.gz ALRMYQHTVOONKV-UHFFFAOYSA-N 1 2 370.344 2.887 20 5 FFBDLO Cn1nccc1N1CCC[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413257596 513552480 /nfs/dbraw/zinc/55/24/80/513552480.db2.gz CROZBZKZZDRVBB-CQSZACIVSA-N 1 2 352.398 2.957 20 5 FFBDLO COC(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425418143 513554585 /nfs/dbraw/zinc/55/45/85/513554585.db2.gz IQMLXUFLRIYMAZ-GFCCVEGCSA-N 1 2 357.204 2.885 20 5 FFBDLO COC(=O)C[C@H]1CCC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425418143 513554592 /nfs/dbraw/zinc/55/45/92/513554592.db2.gz IQMLXUFLRIYMAZ-GFCCVEGCSA-N 1 2 357.204 2.885 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCc1cn2ccsc2n1 ZINC000447806110 513575367 /nfs/dbraw/zinc/57/53/67/513575367.db2.gz LZLIJXQYUWPGNH-UHFFFAOYSA-N 1 2 373.438 2.748 20 5 FFBDLO Cc1nc(CCNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])cs1 ZINC000447808000 513576164 /nfs/dbraw/zinc/57/61/64/513576164.db2.gz SMLMZQDKHRHQNG-UHFFFAOYSA-N 1 2 362.455 2.847 20 5 FFBDLO CC(C)CCOCCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447817167 513579593 /nfs/dbraw/zinc/57/95/93/513579593.db2.gz MULDRDSUBWNYHI-UHFFFAOYSA-N 1 2 351.447 2.902 20 5 FFBDLO CCNC(=O)[C@H]1Cc2ccccc2C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000425545628 513631910 /nfs/dbraw/zinc/63/19/10/513631910.db2.gz UVPLKPZYZSDIPQ-GOSISDBHSA-N 1 2 369.421 2.537 20 5 FFBDLO CCNC(=O)[C@H]1Cc2ccccc2C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000425545628 513631916 /nfs/dbraw/zinc/63/19/16/513631916.db2.gz UVPLKPZYZSDIPQ-GOSISDBHSA-N 1 2 369.421 2.537 20 5 FFBDLO O=C(c1n[nH]cc1[N+](=O)[O-])N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000436017157 513737634 /nfs/dbraw/zinc/73/76/34/513737634.db2.gz AMYMYSMCGHLVKT-UHFFFAOYSA-N 1 2 374.788 2.510 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](OCC)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000451546707 513824956 /nfs/dbraw/zinc/82/49/56/513824956.db2.gz SQXNHVMIZOEFSU-DYVFJYSZSA-N 1 2 365.430 2.679 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](OCC)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000451546707 513824961 /nfs/dbraw/zinc/82/49/61/513824961.db2.gz SQXNHVMIZOEFSU-DYVFJYSZSA-N 1 2 365.430 2.679 20 5 FFBDLO COc1ccc(-c2ccc(C[N@@H+]3CCOC[C@]34CCOC4)o2)c([N+](=O)[O-])c1 ZINC000443068326 513862518 /nfs/dbraw/zinc/86/25/18/513862518.db2.gz KIYLVMKCGAKUKW-LJQANCHMSA-N 1 2 374.393 2.855 20 5 FFBDLO COc1ccc(-c2ccc(C[N@H+]3CCOC[C@]34CCOC4)o2)c([N+](=O)[O-])c1 ZINC000443068326 513862523 /nfs/dbraw/zinc/86/25/23/513862523.db2.gz KIYLVMKCGAKUKW-LJQANCHMSA-N 1 2 374.393 2.855 20 5 FFBDLO CCC[C@@H](C)C(=O)NCCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000431514038 513917719 /nfs/dbraw/zinc/91/77/19/513917719.db2.gz OKTPLGGJWRSLIJ-CYBMUJFWSA-N 1 2 371.441 2.746 20 5 FFBDLO CC(C)c1ccc(C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000414041587 513946164 /nfs/dbraw/zinc/94/61/64/513946164.db2.gz MNIWIGKOJZCYMS-UHFFFAOYSA-N 1 2 363.458 2.901 20 5 FFBDLO Cc1cc(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)nc(-c2cccnc2)[nH+]1 ZINC000443962127 514083603 /nfs/dbraw/zinc/08/36/03/514083603.db2.gz MBIFVGJARQTNOP-UHFFFAOYSA-N 1 2 361.365 2.666 20 5 FFBDLO O=[N+]([O-])c1cccc(F)c1CN(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000452045283 514157154 /nfs/dbraw/zinc/15/71/54/514157154.db2.gz FPUJPDTWUHFOFB-UHFFFAOYSA-N 1 2 363.389 2.661 20 5 FFBDLO CC1CCN(c2ccc(CNc3c(C(N)=O)cccc3[N+](=O)[O-])c[nH+]2)CC1 ZINC000420593114 514195163 /nfs/dbraw/zinc/19/51/63/514195163.db2.gz ZZWDALGOHTVWFH-UHFFFAOYSA-N 1 2 369.425 2.937 20 5 FFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000449553517 514250543 /nfs/dbraw/zinc/25/05/43/514250543.db2.gz MVNMTINHXCYQLD-BXBOZWQASA-N 1 2 364.467 2.899 20 5 FFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000449553517 514250551 /nfs/dbraw/zinc/25/05/51/514250551.db2.gz MVNMTINHXCYQLD-BXBOZWQASA-N 1 2 364.467 2.899 20 5 FFBDLO COC(=O)c1ccc(C[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000444649548 514285410 /nfs/dbraw/zinc/28/54/10/514285410.db2.gz QAQOLUSBQFHTRG-UHFFFAOYSA-N 1 2 354.366 2.890 20 5 FFBDLO COC(=O)c1ccc(C[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000444649548 514285412 /nfs/dbraw/zinc/28/54/12/514285412.db2.gz QAQOLUSBQFHTRG-UHFFFAOYSA-N 1 2 354.366 2.890 20 5 FFBDLO Cc1cc(N(C)[C@H](CO)COC(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000432874363 514309429 /nfs/dbraw/zinc/30/94/29/514309429.db2.gz BCVFDIPGZOBPCH-MRXNPFEDSA-N 1 2 360.414 2.582 20 5 FFBDLO Cc1cc(C[N@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1F ZINC000444743889 514313615 /nfs/dbraw/zinc/31/36/15/514313615.db2.gz NFGFCDCMMCMBPX-UHFFFAOYSA-N 1 2 366.414 2.948 20 5 FFBDLO Cc1cc(C[N@@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1F ZINC000444743889 514313623 /nfs/dbraw/zinc/31/36/23/514313623.db2.gz NFGFCDCMMCMBPX-UHFFFAOYSA-N 1 2 366.414 2.948 20 5 FFBDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427915996 514345035 /nfs/dbraw/zinc/34/50/35/514345035.db2.gz PHKPUQDJSSWPGY-UHFFFAOYSA-N 1 2 354.366 2.779 20 5 FFBDLO Cc1ccc(C[N@H+](CCN2CCOCC2)Cc2ccco2)cc1[N+](=O)[O-] ZINC000449762707 514345096 /nfs/dbraw/zinc/34/50/96/514345096.db2.gz KPRKLAVNFTVPHR-UHFFFAOYSA-N 1 2 359.426 2.831 20 5 FFBDLO Cc1ccc(C[N@@H+](CCN2CCOCC2)Cc2ccco2)cc1[N+](=O)[O-] ZINC000449762707 514345104 /nfs/dbraw/zinc/34/51/04/514345104.db2.gz KPRKLAVNFTVPHR-UHFFFAOYSA-N 1 2 359.426 2.831 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000444924580 514369173 /nfs/dbraw/zinc/36/91/73/514369173.db2.gz SRKQWZDTUDJSRI-UHFFFAOYSA-N 1 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Cc1noc(C)c1[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450205266 514540651 /nfs/dbraw/zinc/54/06/51/514540651.db2.gz YMURTBJLUZSRPU-LLVKDONJSA-N 1 2 369.381 2.919 20 5 FFBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000484556844 514688727 /nfs/dbraw/zinc/68/87/27/514688727.db2.gz LVBORXSPHUPZML-QGZVFWFLSA-N 1 2 358.394 2.753 20 5 FFBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000484556844 514688734 /nfs/dbraw/zinc/68/87/34/514688734.db2.gz LVBORXSPHUPZML-QGZVFWFLSA-N 1 2 358.394 2.753 20 5 FFBDLO O=[N+]([O-])c1ccc(OC2C[NH+](C[C@H](O)Cc3cccc(Cl)c3)C2)cc1 ZINC000489484307 514865644 /nfs/dbraw/zinc/86/56/44/514865644.db2.gz QMJTWLCLPDIRDS-MRXNPFEDSA-N 1 2 362.813 2.915 20 5 FFBDLO CNc1nc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)ccc1[N+](=O)[O-] ZINC000456003833 514898518 /nfs/dbraw/zinc/89/85/18/514898518.db2.gz JJVNHAOTRYVVNH-UHFFFAOYSA-N 1 2 372.429 2.561 20 5 FFBDLO Cc1[nH]c2ccc(Cn3c(=O)onc3-c3ccc([N+](=O)[O-])cc3)cc2[nH+]1 ZINC000467211708 514941646 /nfs/dbraw/zinc/94/16/46/514941646.db2.gz NPUNRZQMCWFVDE-UHFFFAOYSA-N 1 2 351.322 2.645 20 5 FFBDLO Cc1[nH]c2cc(Cn3c(=O)onc3-c3ccc([N+](=O)[O-])cc3)ccc2[nH+]1 ZINC000467211708 514941653 /nfs/dbraw/zinc/94/16/53/514941653.db2.gz NPUNRZQMCWFVDE-UHFFFAOYSA-N 1 2 351.322 2.645 20 5 FFBDLO C[C@H](CNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)Cn1cc[nH+]c1 ZINC000462483014 515076367 /nfs/dbraw/zinc/07/63/67/515076367.db2.gz JQPQAAAOTCCFFJ-OAHLLOKOSA-N 1 2 367.409 2.935 20 5 FFBDLO C[C@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000456338891 515106576 /nfs/dbraw/zinc/10/65/76/515106576.db2.gz OLCWKDGUVIVJAA-OAHLLOKOSA-N 1 2 369.421 2.895 20 5 FFBDLO C[C@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000456338891 515106583 /nfs/dbraw/zinc/10/65/83/515106583.db2.gz OLCWKDGUVIVJAA-OAHLLOKOSA-N 1 2 369.421 2.895 20 5 FFBDLO CC(C)N(C)C(=O)C1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000509292793 515110982 /nfs/dbraw/zinc/11/09/82/515110982.db2.gz CIYBTFBCBSLAIL-UHFFFAOYSA-N 1 2 355.385 2.952 20 5 FFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000456392247 515152542 /nfs/dbraw/zinc/15/25/42/515152542.db2.gz PTMPKMPPNBUVOI-LBPRGKRZSA-N 1 2 368.397 2.703 20 5 FFBDLO Cc1ccc2[nH+]c(CNC(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)cn2c1 ZINC000462742089 515220787 /nfs/dbraw/zinc/22/07/87/515220787.db2.gz CUFAPYGZGDQAOB-UHFFFAOYSA-N 1 2 365.393 2.819 20 5 FFBDLO CC[C@H](C)[NH+]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC1 ZINC000456524590 515235723 /nfs/dbraw/zinc/23/57/23/515235723.db2.gz PTKXEAXBJLDEHH-ZDUSSCGKSA-N 1 2 357.414 2.541 20 5 FFBDLO Cc1cc(C)c(S(=O)(=O)Nc2ccn(-c3cc[nH+]cc3)n2)cc1[N+](=O)[O-] ZINC000491611268 515461971 /nfs/dbraw/zinc/46/19/71/515461971.db2.gz YNILITBYPPUWFJ-UHFFFAOYSA-N 1 2 373.394 2.593 20 5 FFBDLO CC(=O)NCC[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCSCC1 ZINC000510618145 515608884 /nfs/dbraw/zinc/60/88/84/515608884.db2.gz KPUWAQFNUBXQGM-UHFFFAOYSA-N 1 2 373.425 2.707 20 5 FFBDLO CC(=O)NCC[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCSCC1 ZINC000510618145 515608888 /nfs/dbraw/zinc/60/88/88/515608888.db2.gz KPUWAQFNUBXQGM-UHFFFAOYSA-N 1 2 373.425 2.707 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(N3CC[C@H](Oc4cc[nH+]cc4)C3)n2)cc1 ZINC000469094738 515667882 /nfs/dbraw/zinc/66/78/82/515667882.db2.gz YMZRYIZDVWVZBP-HNNXBMFYSA-N 1 2 353.338 2.698 20 5 FFBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000505786619 515672712 /nfs/dbraw/zinc/67/27/12/515672712.db2.gz CUILARIDFIORBE-CYBMUJFWSA-N 1 2 367.471 2.547 20 5 FFBDLO COCC1(C)C[NH+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000459624261 515702555 /nfs/dbraw/zinc/70/25/55/515702555.db2.gz SOKLZFHTVJUNQW-UHFFFAOYSA-N 1 2 360.357 2.716 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCC[C@H]1c1ccnn1C ZINC000500439334 515710099 /nfs/dbraw/zinc/71/00/99/515710099.db2.gz JDBUNYQQKSGVAE-KRWDZBQOSA-N 1 2 357.414 2.802 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCC[C@H]1c1ccnn1C ZINC000500439334 515710103 /nfs/dbraw/zinc/71/01/03/515710103.db2.gz JDBUNYQQKSGVAE-KRWDZBQOSA-N 1 2 357.414 2.802 20 5 FFBDLO CCNC(=O)C1(CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CCC1 ZINC000487078832 515747142 /nfs/dbraw/zinc/74/71/42/515747142.db2.gz AKLXGHPECZVZBT-UHFFFAOYSA-N 1 2 369.425 2.500 20 5 FFBDLO COC(=O)c1cnc(NCc2cn3cc(Cl)ccc3[nH+]2)c([N+](=O)[O-])c1 ZINC000478260367 515756608 /nfs/dbraw/zinc/75/66/08/515756608.db2.gz NZKMZQRFACAWIG-UHFFFAOYSA-N 1 2 361.745 2.690 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494279920 515793934 /nfs/dbraw/zinc/79/39/34/515793934.db2.gz PLJAOGCBNGEPRP-NSHDSACASA-N 1 2 357.357 2.909 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494279920 515793942 /nfs/dbraw/zinc/79/39/42/515793942.db2.gz PLJAOGCBNGEPRP-NSHDSACASA-N 1 2 357.357 2.909 20 5 FFBDLO Cc1cc(Cl)ccc1C[NH+]1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000511141861 515803695 /nfs/dbraw/zinc/80/36/95/515803695.db2.gz NMCXRXCESIAINZ-UHFFFAOYSA-N 1 2 363.849 2.571 20 5 FFBDLO Cc1cc(Cl)ccc1CN1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000511141861 515803702 /nfs/dbraw/zinc/80/37/02/515803702.db2.gz NMCXRXCESIAINZ-UHFFFAOYSA-N 1 2 363.849 2.571 20 5 FFBDLO Cc1ccsc1[C@H](CO)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000494688706 515926352 /nfs/dbraw/zinc/92/63/52/515926352.db2.gz FZXSIEKNRQIRMY-ZDUSSCGKSA-N 1 2 360.395 2.838 20 5 FFBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494720008 515938949 /nfs/dbraw/zinc/93/89/49/515938949.db2.gz GZPIUUZKYAJZOE-JTQLQIEISA-N 1 2 371.319 2.698 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCOCc1ccccc1 ZINC000464847195 515986313 /nfs/dbraw/zinc/98/63/13/515986313.db2.gz DJADDPHWJRVKKU-UHFFFAOYSA-N 1 2 373.409 2.691 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCOCc1ccccc1 ZINC000464847195 515986319 /nfs/dbraw/zinc/98/63/19/515986319.db2.gz DJADDPHWJRVKKU-UHFFFAOYSA-N 1 2 373.409 2.691 20 5 FFBDLO CCCCOC1CC[NH+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000464848269 515987458 /nfs/dbraw/zinc/98/74/58/515987458.db2.gz AGVDIEIHAPWBBY-UHFFFAOYSA-N 1 2 365.430 2.823 20 5 FFBDLO CC(C)c1ccc(C[N@@H+]2CCCC[C@H]2CNS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000507120088 516096533 /nfs/dbraw/zinc/09/65/33/516096533.db2.gz ZPVYNIISYQBNGU-HNNXBMFYSA-N 1 2 369.487 2.622 20 5 FFBDLO CC(C)c1ccc(C[N@H+]2CCCC[C@H]2CNS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000507120088 516096541 /nfs/dbraw/zinc/09/65/41/516096541.db2.gz ZPVYNIISYQBNGU-HNNXBMFYSA-N 1 2 369.487 2.622 20 5 FFBDLO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccn2cc[nH+]c2c1 ZINC000488275054 516183421 /nfs/dbraw/zinc/18/34/21/516183421.db2.gz WWXZBXBGWJDRIS-UHFFFAOYSA-N 1 2 373.800 2.938 20 5 FFBDLO Cn1cc([N+](=O)[O-])cc1C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000531198800 516345328 /nfs/dbraw/zinc/34/53/28/516345328.db2.gz INEJQPPLJXYKLQ-UHFFFAOYSA-N 1 2 367.409 2.693 20 5 FFBDLO O=C(Nc1cc[nH+]c(N2CCc3ccccc3C2)c1)c1cc([N+](=O)[O-])n[nH]1 ZINC000561112071 516386051 /nfs/dbraw/zinc/38/60/51/516386051.db2.gz SKYDUCJECXFKOA-UHFFFAOYSA-N 1 2 364.365 2.528 20 5 FFBDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c(F)c1 ZINC000547766538 516549944 /nfs/dbraw/zinc/54/99/44/516549944.db2.gz XRZNLXHZVJBVSN-UHFFFAOYSA-N 1 2 373.384 2.843 20 5 FFBDLO CCn1c(C)nc([N+](=O)[O-])c1Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000554675084 516581599 /nfs/dbraw/zinc/58/15/99/516581599.db2.gz GKNJRCBOBVBAQI-RYUDHWBXSA-N 1 2 360.418 2.872 20 5 FFBDLO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1cccc(O)c1[N+](=O)[O-] ZINC000540566815 516621682 /nfs/dbraw/zinc/62/16/82/516621682.db2.gz CPUQQTLCXJYUDI-UHFFFAOYSA-N 1 2 371.393 2.509 20 5 FFBDLO O=C(NCc1[nH+]ccn1CC(F)(F)F)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000524335227 516695953 /nfs/dbraw/zinc/69/59/53/516695953.db2.gz FRZZBUJSZXLBOG-UHFFFAOYSA-N 1 2 367.287 2.765 20 5 FFBDLO COc1cc(C[NH2+]Cc2nnc(C)s2)c([N+](=O)[O-])cc1OCC(F)F ZINC000540956703 516798225 /nfs/dbraw/zinc/79/82/25/516798225.db2.gz NWBYYCVBLBSRSB-UHFFFAOYSA-N 1 2 374.369 2.697 20 5 FFBDLO Cc1[nH+]c2ccccc2n1Cc1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000544933322 516992698 /nfs/dbraw/zinc/99/26/98/516992698.db2.gz PHZACUCAEPOFLL-UHFFFAOYSA-N 1 2 350.338 2.933 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]Cc1cccc(CO)c1)c1ccc([N+](=O)[O-])cc1 ZINC000552048071 517049229 /nfs/dbraw/zinc/04/92/29/517049229.db2.gz GEZUUTLUGCULAS-GOSISDBHSA-N 1 2 352.394 2.700 20 5 FFBDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000525707170 517126855 /nfs/dbraw/zinc/12/68/55/517126855.db2.gz CRGGQQLTPFGVJE-HNNXBMFYSA-N 1 2 365.384 2.880 20 5 FFBDLO COc1ncc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1Cl ZINC000532778007 517139920 /nfs/dbraw/zinc/13/99/20/517139920.db2.gz ZIWOSDJZJKSLCF-LBPRGKRZSA-N 1 2 363.805 2.733 20 5 FFBDLO COc1ncc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1Cl ZINC000532778007 517139928 /nfs/dbraw/zinc/13/99/28/517139928.db2.gz ZIWOSDJZJKSLCF-LBPRGKRZSA-N 1 2 363.805 2.733 20 5 FFBDLO CC1(C)C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@@H]1[C@@H]1CCCO1 ZINC000514973987 517149972 /nfs/dbraw/zinc/14/99/72/517149972.db2.gz AFSDZQZXWAIWRU-IXDOHACOSA-N 1 2 359.426 2.590 20 5 FFBDLO CC1(C)C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@@H]1[C@@H]1CCCO1 ZINC000514973987 517149981 /nfs/dbraw/zinc/14/99/81/517149981.db2.gz AFSDZQZXWAIWRU-IXDOHACOSA-N 1 2 359.426 2.590 20 5 FFBDLO Cc1c(Br)cc(C(=O)N2CC(n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000532796050 517150931 /nfs/dbraw/zinc/15/09/31/517150931.db2.gz BZVIXOZAJAIASU-UHFFFAOYSA-N 1 2 365.187 2.559 20 5 FFBDLO Cc1c(NC(=O)CCN2CC[NH+](Cc3ccco3)CC2)cccc1[N+](=O)[O-] ZINC000532905592 517195693 /nfs/dbraw/zinc/19/56/93/517195693.db2.gz YJBJQUKGEBXIIE-UHFFFAOYSA-N 1 2 372.425 2.643 20 5 FFBDLO CCc1nocc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000559368275 517218102 /nfs/dbraw/zinc/21/81/02/517218102.db2.gz CMKLFEGONKGRJR-NSHDSACASA-N 1 2 362.386 2.613 20 5 FFBDLO CCc1nocc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000559368275 517218112 /nfs/dbraw/zinc/21/81/12/517218112.db2.gz CMKLFEGONKGRJR-NSHDSACASA-N 1 2 362.386 2.613 20 5 FFBDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)CC2 ZINC000537845393 517373821 /nfs/dbraw/zinc/37/38/21/517373821.db2.gz JULDJAOTDZTQES-UHFFFAOYSA-N 1 2 356.378 2.948 20 5 FFBDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)CC2 ZINC000537845393 517373829 /nfs/dbraw/zinc/37/38/29/517373829.db2.gz JULDJAOTDZTQES-UHFFFAOYSA-N 1 2 356.378 2.948 20 5 FFBDLO O=C(Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1)c1csc([N+](=O)[O-])c1 ZINC000515571386 517409424 /nfs/dbraw/zinc/40/94/24/517409424.db2.gz KVVIRHWZOWRGMO-UHFFFAOYSA-N 1 2 373.394 2.622 20 5 FFBDLO COCCOc1ccccc1N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000533537794 517513378 /nfs/dbraw/zinc/51/33/78/517513378.db2.gz JFTKPQIQXUDZDM-UHFFFAOYSA-N 1 2 371.437 2.942 20 5 FFBDLO CC(C)[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1[nH]cc[nH+]1 ZINC000549356634 517525445 /nfs/dbraw/zinc/52/54/45/517525445.db2.gz SKEJMALSXYHHFX-OAHLLOKOSA-N 1 2 354.370 2.631 20 5 FFBDLO Cc1cc(N(C)CC[NH+]2CCN(Cc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000553604103 517806012 /nfs/dbraw/zinc/80/60/12/517806012.db2.gz GKAPPEXJISGZLM-UHFFFAOYSA-N 1 2 369.469 2.552 20 5 FFBDLO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000534261765 517811552 /nfs/dbraw/zinc/81/15/52/517811552.db2.gz OQDMLZSOCOPNAH-CYBMUJFWSA-N 1 2 363.805 2.538 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cc(-c4ccccc4)n[nH]3)CC2)cn1 ZINC000534336754 517856924 /nfs/dbraw/zinc/85/69/24/517856924.db2.gz ZNPDGAHKIBTGQO-UHFFFAOYSA-N 1 2 364.409 2.702 20 5 FFBDLO O=C(C1CC1)N1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000534335888 517857820 /nfs/dbraw/zinc/85/78/20/517857820.db2.gz SINSQQHGJPECTM-UHFFFAOYSA-N 1 2 355.394 2.909 20 5 FFBDLO O=C(NCC1CC[NH+](CC(F)F)CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000516883156 517890576 /nfs/dbraw/zinc/89/05/76/517890576.db2.gz MNEZWWIJMRLDIQ-UHFFFAOYSA-N 1 2 361.776 2.955 20 5 FFBDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000534460026 517903563 /nfs/dbraw/zinc/90/35/63/517903563.db2.gz ZRMINXUGIXASKG-CQSZACIVSA-N 1 2 367.409 2.896 20 5 FFBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nnnn2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000539379135 518017702 /nfs/dbraw/zinc/01/77/02/518017702.db2.gz OTGOQSBDDRIRBT-CQSZACIVSA-N 1 2 352.398 2.789 20 5 FFBDLO CO[C@@H]1[C@H](C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1(C)C ZINC000539452114 518056309 /nfs/dbraw/zinc/05/63/09/518056309.db2.gz OVRXKQVCWOBOAC-XFBWCDHKSA-N 1 2 358.398 2.570 20 5 FFBDLO Cc1cc(N[C@@H]2CCN(C(C)(C)C)C2=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000517364870 518128596 /nfs/dbraw/zinc/12/85/96/518128596.db2.gz ZHDJOIPXBASISY-OAHLLOKOSA-N 1 2 369.425 2.593 20 5 FFBDLO O=C(C1CC1)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000535071581 518145509 /nfs/dbraw/zinc/14/55/09/518145509.db2.gz LAQDFRBAEXFWQK-UHFFFAOYSA-N 1 2 355.394 2.909 20 5 FFBDLO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCCCCn1cc[nH+]c1 ZINC000569915373 518353239 /nfs/dbraw/zinc/35/32/39/518353239.db2.gz CKFKCTBHPAMRAH-UHFFFAOYSA-N 1 2 359.430 2.516 20 5 FFBDLO C[N@H+](Cc1cc(C(C)(C)C)n[nH]1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000584819350 518491646 /nfs/dbraw/zinc/49/16/46/518491646.db2.gz SLNXDALZKQBKGU-MRXNPFEDSA-N 1 2 371.441 2.853 20 5 FFBDLO C[N@@H+](Cc1cc(C(C)(C)C)n[nH]1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000584819350 518491653 /nfs/dbraw/zinc/49/16/53/518491653.db2.gz SLNXDALZKQBKGU-MRXNPFEDSA-N 1 2 371.441 2.853 20 5 FFBDLO O=[N+]([O-])c1ccc(Cc2noc(Cn3cc[nH+]c3)n2)c(Br)c1 ZINC000570256486 518517471 /nfs/dbraw/zinc/51/74/71/518517471.db2.gz HSVPFFPQFHAWQF-UHFFFAOYSA-N 1 2 364.159 2.576 20 5 FFBDLO CN(CCCn1cc[nH+]c1)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000564635028 518535385 /nfs/dbraw/zinc/53/53/85/518535385.db2.gz MWZGOGAAIMVWFE-UHFFFAOYSA-N 1 2 370.413 2.547 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000573624117 518756196 /nfs/dbraw/zinc/75/61/96/518756196.db2.gz TYINUNDLMXXKEE-UHFFFAOYSA-N 1 2 368.393 2.686 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000573624117 518756203 /nfs/dbraw/zinc/75/62/03/518756203.db2.gz TYINUNDLMXXKEE-UHFFFAOYSA-N 1 2 368.393 2.686 20 5 FFBDLO Cc1c(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cnn1C ZINC000570769515 518767941 /nfs/dbraw/zinc/76/79/41/518767941.db2.gz JMUDSMIVOBPOGY-NSHDSACASA-N 1 2 365.821 2.749 20 5 FFBDLO Cc1c(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cnn1C ZINC000570769515 518767951 /nfs/dbraw/zinc/76/79/51/518767951.db2.gz JMUDSMIVOBPOGY-NSHDSACASA-N 1 2 365.821 2.749 20 5 FFBDLO O=C(Cc1cn2ccccc2[nH+]1)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000576854248 518797163 /nfs/dbraw/zinc/79/71/63/518797163.db2.gz WVISWKIWMMMKHD-UHFFFAOYSA-N 1 2 363.377 2.625 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C[C@H]2COc3ccccc3O2)c1 ZINC000589494427 519016299 /nfs/dbraw/zinc/01/62/99/519016299.db2.gz KORFUQVHSWLOTM-HNNXBMFYSA-N 1 2 372.377 2.653 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)C[C@H]2COc3ccccc3O2)c1 ZINC000589494427 519016304 /nfs/dbraw/zinc/01/63/04/519016304.db2.gz KORFUQVHSWLOTM-HNNXBMFYSA-N 1 2 372.377 2.653 20 5 FFBDLO COC(=O)c1ccc(C[N@H+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])cc1 ZINC000589495746 519018072 /nfs/dbraw/zinc/01/80/72/519018072.db2.gz GVTVKBKUSROOJD-UHFFFAOYSA-N 1 2 372.377 2.800 20 5 FFBDLO COC(=O)c1ccc(C[N@@H+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])cc1 ZINC000589495746 519018074 /nfs/dbraw/zinc/01/80/74/519018074.db2.gz GVTVKBKUSROOJD-UHFFFAOYSA-N 1 2 372.377 2.800 20 5 FFBDLO C[C@@]1(NC(=O)c2cccc(O)c2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000574215005 519044036 /nfs/dbraw/zinc/04/40/36/519044036.db2.gz SBPYLBBVQKNPHC-LJQANCHMSA-N 1 2 355.394 2.695 20 5 FFBDLO C[C@@]1(NC(=O)c2cccc(O)c2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000574215005 519044043 /nfs/dbraw/zinc/04/40/43/519044043.db2.gz SBPYLBBVQKNPHC-LJQANCHMSA-N 1 2 355.394 2.695 20 5 FFBDLO Cn1c[nH+]cc1Cc1noc(CCOc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000583472845 519262965 /nfs/dbraw/zinc/26/29/65/519262965.db2.gz GQNLRVGRJNDVIC-UHFFFAOYSA-N 1 2 363.761 2.577 20 5 FFBDLO O=C1[C@H]([N@@H+]2CCC=C(c3ccccn3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000590600734 519283158 /nfs/dbraw/zinc/28/31/58/519283158.db2.gz LRGVIBVPGIIDLY-LJQANCHMSA-N 1 2 364.405 2.884 20 5 FFBDLO O=C1[C@H]([N@H+]2CCC=C(c3ccccn3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000590600734 519283160 /nfs/dbraw/zinc/28/31/60/519283160.db2.gz LRGVIBVPGIIDLY-LJQANCHMSA-N 1 2 364.405 2.884 20 5 FFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000583534631 519296832 /nfs/dbraw/zinc/29/68/32/519296832.db2.gz WRDAVJKCPLMWQZ-XOKHGSTOSA-N 1 2 359.426 2.955 20 5 FFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000583534631 519296835 /nfs/dbraw/zinc/29/68/35/519296835.db2.gz WRDAVJKCPLMWQZ-XOKHGSTOSA-N 1 2 359.426 2.955 20 5 FFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000583534632 519297149 /nfs/dbraw/zinc/29/71/49/519297149.db2.gz WRDAVJKCPLMWQZ-XYPHTWIQSA-N 1 2 359.426 2.955 20 5 FFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000583534632 519297155 /nfs/dbraw/zinc/29/71/55/519297155.db2.gz WRDAVJKCPLMWQZ-XYPHTWIQSA-N 1 2 359.426 2.955 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@H]2[C@@H](C(F)(F)F)[C@H]21 ZINC000590674348 519310873 /nfs/dbraw/zinc/31/08/73/519310873.db2.gz PBJKOQVNMZSGEU-GDLCADMTSA-N 1 2 366.299 2.803 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC(CC(F)(F)F)C1 ZINC000590677007 519311729 /nfs/dbraw/zinc/31/17/29/519311729.db2.gz OLMLGFHTFZZIAC-UHFFFAOYSA-N 1 2 354.288 2.805 20 5 FFBDLO COc1cccc2c1C[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000590759805 519354933 /nfs/dbraw/zinc/35/49/33/519354933.db2.gz PSXKLQRDNROUOC-UHFFFAOYSA-N 1 2 355.394 2.625 20 5 FFBDLO COc1cccc2c1C[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000590759805 519354936 /nfs/dbraw/zinc/35/49/36/519354936.db2.gz PSXKLQRDNROUOC-UHFFFAOYSA-N 1 2 355.394 2.625 20 5 FFBDLO CC(C)Oc1nc(NCCc2[nH+]c3ccc(F)cc3n2C)ccc1[N+](=O)[O-] ZINC000569355688 519508793 /nfs/dbraw/zinc/50/87/93/519508793.db2.gz VHKRCHZRFTYWGR-UHFFFAOYSA-N 1 2 373.388 2.879 20 5 FFBDLO CC(C)(C)CN1CCC[C@H]([N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)C1=O ZINC000569395693 519528114 /nfs/dbraw/zinc/52/81/14/519528114.db2.gz GILYZLAQTXRREV-INIZCTEOSA-N 1 2 361.442 2.826 20 5 FFBDLO CC(C)(C)CN1CCC[C@H]([N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)C1=O ZINC000569395693 519528121 /nfs/dbraw/zinc/52/81/21/519528121.db2.gz GILYZLAQTXRREV-INIZCTEOSA-N 1 2 361.442 2.826 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3cccnc3)C2)c([N+](=O)[O-])c1 ZINC000602854095 519925682 /nfs/dbraw/zinc/92/56/82/519925682.db2.gz MQNNIVAMEMSXER-OAHLLOKOSA-N 1 2 370.409 2.817 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3cccnc3)C2)c([N+](=O)[O-])c1 ZINC000602854095 519925694 /nfs/dbraw/zinc/92/56/94/519925694.db2.gz MQNNIVAMEMSXER-OAHLLOKOSA-N 1 2 370.409 2.817 20 5 FFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCc2ccc(C(F)(F)F)cc2C1 ZINC000602929336 519977954 /nfs/dbraw/zinc/97/79/54/519977954.db2.gz XGYHUCUGVITJPO-UHFFFAOYSA-N 1 2 367.327 2.834 20 5 FFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCc2ccc(C(F)(F)F)cc2C1 ZINC000602929336 519977961 /nfs/dbraw/zinc/97/79/61/519977961.db2.gz XGYHUCUGVITJPO-UHFFFAOYSA-N 1 2 367.327 2.834 20 5 FFBDLO O=C(C[NH+]1CCC(Cc2nccs2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000602957362 519993332 /nfs/dbraw/zinc/99/33/32/519993332.db2.gz UIBQLQIVLRAIRY-UHFFFAOYSA-N 1 2 360.439 2.945 20 5 FFBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](CCCF)CC1 ZINC000600072127 520030344 /nfs/dbraw/zinc/03/03/44/520030344.db2.gz MMVIQTOMMGXKFG-ZDUSSCGKSA-N 1 2 355.435 2.579 20 5 FFBDLO Cc1cccc2[nH+]c(CCNC(=O)NCCc3ccccc3[N+](=O)[O-])cn21 ZINC000591943473 520100564 /nfs/dbraw/zinc/10/05/64/520100564.db2.gz DLHKYASEFCQMDE-UHFFFAOYSA-N 1 2 367.409 2.635 20 5 FFBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000608812405 520135655 /nfs/dbraw/zinc/13/56/55/520135655.db2.gz MKHPLINHUYFEND-UHFFFAOYSA-N 1 2 366.381 2.621 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H](n4ccnc4)C3)n2)c1 ZINC000609157488 520214335 /nfs/dbraw/zinc/21/43/35/520214335.db2.gz VLQPOAVHVNSNBZ-HNNXBMFYSA-N 1 2 354.370 2.678 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H](n4ccnc4)C3)n2)c1 ZINC000609157488 520214346 /nfs/dbraw/zinc/21/43/46/520214346.db2.gz VLQPOAVHVNSNBZ-HNNXBMFYSA-N 1 2 354.370 2.678 20 5 FFBDLO COC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(OC)c1 ZINC000594968742 520234563 /nfs/dbraw/zinc/23/45/63/520234563.db2.gz JRDKNGNSDSCFIL-GOSISDBHSA-N 1 2 374.393 2.947 20 5 FFBDLO COCc1n[nH]c(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)n1 ZINC000594969882 520234846 /nfs/dbraw/zinc/23/48/46/520234846.db2.gz RXRAOWWOBGPUKW-UHFFFAOYSA-N 1 2 359.411 2.878 20 5 FFBDLO CC(C)c1ccc(C(=O)N[C@H](c2[nH+]ccn2C)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000597845095 520275283 /nfs/dbraw/zinc/27/52/83/520275283.db2.gz FOCRXGMXWRTURL-MRXNPFEDSA-N 1 2 374.441 2.941 20 5 FFBDLO Cc1ccc2nc(C[NH2+]Cc3cc4c(cc3[N+](=O)[O-])OCCO4)cn2c1 ZINC000609440378 520310222 /nfs/dbraw/zinc/31/02/22/520310222.db2.gz UAQIUFRQXJDKOM-UHFFFAOYSA-N 1 2 354.366 2.612 20 5 FFBDLO COc1ccccc1C[NH+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000609448011 520315753 /nfs/dbraw/zinc/31/57/53/520315753.db2.gz LISSFSCIENCECJ-UHFFFAOYSA-N 1 2 373.384 2.701 20 5 FFBDLO C[S@@](=O)c1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000609493598 520331522 /nfs/dbraw/zinc/33/15/22/520331522.db2.gz OBNMVIZFYMLSBY-AREMUKBSSA-N 1 2 370.390 2.770 20 5 FFBDLO Cc1nccc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000603834335 520371048 /nfs/dbraw/zinc/37/10/48/520371048.db2.gz QRMDUBIPNSYRAX-UKRRQHHQSA-N 1 2 369.425 2.900 20 5 FFBDLO Cc1nccc([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000603834335 520371056 /nfs/dbraw/zinc/37/10/56/520371056.db2.gz QRMDUBIPNSYRAX-UKRRQHHQSA-N 1 2 369.425 2.900 20 5 FFBDLO CC1(C)CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C(C)(C)CO1 ZINC000609646089 520393365 /nfs/dbraw/zinc/39/33/65/520393365.db2.gz BTLBUQQAFJPBNE-UHFFFAOYSA-N 1 2 358.398 2.810 20 5 FFBDLO Cc1noc(C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)c1[N+](=O)[O-] ZINC000595313940 520403925 /nfs/dbraw/zinc/40/39/25/520403925.db2.gz XVHIWTTZDIMITQ-UHFFFAOYSA-N 1 2 350.419 2.552 20 5 FFBDLO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595332028 520412780 /nfs/dbraw/zinc/41/27/80/520412780.db2.gz BGRIYFCJYQYCFB-KGLIPLIRSA-N 1 2 351.403 2.835 20 5 FFBDLO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595332028 520412791 /nfs/dbraw/zinc/41/27/91/520412791.db2.gz BGRIYFCJYQYCFB-KGLIPLIRSA-N 1 2 351.403 2.835 20 5 FFBDLO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3onc(C)c3[N+](=O)[O-])ccc2NC1=O ZINC000595419069 520457873 /nfs/dbraw/zinc/45/78/73/520457873.db2.gz WYBBRTCREXGROL-ZANVPECISA-N 1 2 360.370 2.852 20 5 FFBDLO COC(=O)C[C@](C)([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccncc1 ZINC000595486010 520502472 /nfs/dbraw/zinc/50/24/72/520502472.db2.gz GFYMJWXZNKQGIZ-KRWDZBQOSA-N 1 2 365.336 2.836 20 5 FFBDLO CC(C)(C)OC(=O)CC1([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])CCOCC1 ZINC000595550945 520546264 /nfs/dbraw/zinc/54/62/64/520546264.db2.gz PMAATTKHPUWKDC-UHFFFAOYSA-N 1 2 366.414 2.671 20 5 FFBDLO COc1cc(CNCc2[nH]cc[nH+]2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000610150928 520560472 /nfs/dbraw/zinc/56/04/72/520560472.db2.gz MZXIZKLEQNWARD-UHFFFAOYSA-N 1 2 360.292 2.557 20 5 FFBDLO COc1cc(C[NH2+]Cc2ncc[nH]2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000610150928 520560479 /nfs/dbraw/zinc/56/04/79/520560479.db2.gz MZXIZKLEQNWARD-UHFFFAOYSA-N 1 2 360.292 2.557 20 5 FFBDLO O=C1C[C@H]([NH+]2CCC(C(F)(F)F)CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000610259365 520608298 /nfs/dbraw/zinc/60/82/98/520608298.db2.gz RFFJVRYGFXNEKY-ZDUSSCGKSA-N 1 2 371.315 2.501 20 5 FFBDLO COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2[nH+]ccn2C)cc1SC ZINC000598460646 520628231 /nfs/dbraw/zinc/62/82/31/520628231.db2.gz VJVMBCCDKRRHOR-SECBINFHSA-N 1 2 350.400 2.550 20 5 FFBDLO COC(=O)[C@H](c1cccc(OC)c1)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000595677280 520640320 /nfs/dbraw/zinc/64/03/20/520640320.db2.gz IMKQGSFQVNYEPR-SFHVURJKSA-N 1 2 374.393 2.828 20 5 FFBDLO COC(=O)[C@H](c1cccc(OC)c1)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000595677280 520640323 /nfs/dbraw/zinc/64/03/23/520640323.db2.gz IMKQGSFQVNYEPR-SFHVURJKSA-N 1 2 374.393 2.828 20 5 FFBDLO Cc1cccc2[nH+]c(CNc3c([N+](=O)[O-])c(C(F)(F)F)nn3C)cn21 ZINC000601116804 520643605 /nfs/dbraw/zinc/64/36/05/520643605.db2.gz XIBWTUGLZGOUFJ-UHFFFAOYSA-N 1 2 354.292 2.915 20 5 FFBDLO C[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1CCO ZINC000595695916 520654684 /nfs/dbraw/zinc/65/46/84/520654684.db2.gz JCLJUYMZKBSWJN-XHDPSFHLSA-N 1 2 355.822 2.670 20 5 FFBDLO C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1CCO ZINC000595695916 520654689 /nfs/dbraw/zinc/65/46/89/520654689.db2.gz JCLJUYMZKBSWJN-XHDPSFHLSA-N 1 2 355.822 2.670 20 5 FFBDLO CN(CCc1[nH]c2ccccc2[nH+]1)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601182346 520675456 /nfs/dbraw/zinc/67/54/56/520675456.db2.gz RWRXHHPFHWWCFW-UHFFFAOYSA-N 1 2 368.319 2.902 20 5 FFBDLO CCOc1ccc(N2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)nn1 ZINC000595892511 520799214 /nfs/dbraw/zinc/79/92/14/520799214.db2.gz RHILMCYPIRANOL-CQSZACIVSA-N 1 2 357.414 2.667 20 5 FFBDLO O=[N+]([O-])c1cccc(Br)c1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000596055846 520881888 /nfs/dbraw/zinc/88/18/88/520881888.db2.gz YZCNHOWGTPQJDN-GFCCVEGCSA-N 1 2 370.247 2.658 20 5 FFBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C2(CCC2)CO1 ZINC000593318723 520906145 /nfs/dbraw/zinc/90/61/45/520906145.db2.gz GCVFARJPHCMFMP-CYBMUJFWSA-N 1 2 356.382 2.564 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)c1 ZINC000601730869 520923014 /nfs/dbraw/zinc/92/30/14/520923014.db2.gz WZCBFIPPULFCKF-UHFFFAOYSA-N 1 2 355.394 2.567 20 5 FFBDLO Cc1cn2c([nH+]1)[C@H](CNc1cc3nc[nH]c(=O)c3cc1[N+](=O)[O-])CCC2 ZINC000611030545 520953847 /nfs/dbraw/zinc/95/38/47/520953847.db2.gz MYYPJYIZFUDJRY-NSHDSACASA-N 1 2 354.370 2.738 20 5 FFBDLO COc1cc(N2CCN(c3cc[nH+]c(C)n3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596191997 520962867 /nfs/dbraw/zinc/96/28/67/520962867.db2.gz KASVDEJZMLXYTF-UHFFFAOYSA-N 1 2 363.805 2.682 20 5 FFBDLO CN(CCc1ccccc1[N+](=O)[O-])c1nc2c(cnn2C(C)(C)C)c(N)[nH+]1 ZINC000596230184 520985042 /nfs/dbraw/zinc/98/50/42/520985042.db2.gz IKDKFAZPQQBUNR-UHFFFAOYSA-N 1 2 369.429 2.751 20 5 FFBDLO Nc1nccc([C@H]2CCCN(c3ccc4c[nH+]ccc4c3[N+](=O)[O-])C2)n1 ZINC000599072468 521014848 /nfs/dbraw/zinc/01/48/48/521014848.db2.gz FFXRHPDYHJTJPH-ZDUSSCGKSA-N 1 2 350.382 2.730 20 5 FFBDLO CN(C)c1n[nH]c(C2CCN(c3ccc4c[nH+]ccc4c3[N+](=O)[O-])CC2)n1 ZINC000599074762 521016637 /nfs/dbraw/zinc/01/66/37/521016637.db2.gz OGTGZZVQDMQHIU-UHFFFAOYSA-N 1 2 367.413 2.711 20 5 FFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000599084564 521023217 /nfs/dbraw/zinc/02/32/17/521023217.db2.gz UKJLIUDTIRBTAN-KRWDZBQOSA-N 1 2 361.423 2.548 20 5 FFBDLO CCOC(=O)c1ccnc(NCc2ccc[nH+]c2N2CCCC2)c1[N+](=O)[O-] ZINC000596355442 521038397 /nfs/dbraw/zinc/03/83/97/521038397.db2.gz AJMLIVRIBBGPCA-UHFFFAOYSA-N 1 2 371.397 2.774 20 5 FFBDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000599130515 521045240 /nfs/dbraw/zinc/04/52/40/521045240.db2.gz YQUUDDVOSRLWNR-KRWDZBQOSA-N 1 2 371.384 2.560 20 5 FFBDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000599130515 521045249 /nfs/dbraw/zinc/04/52/49/521045249.db2.gz YQUUDDVOSRLWNR-KRWDZBQOSA-N 1 2 371.384 2.560 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ncccc3C(F)(F)F)CC2)cn1 ZINC000611254442 521059890 /nfs/dbraw/zinc/05/98/90/521059890.db2.gz GHPUIVFXHSOGII-UHFFFAOYSA-N 1 2 367.331 2.726 20 5 FFBDLO COCCC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000599506708 521265650 /nfs/dbraw/zinc/26/56/50/521265650.db2.gz GERWFGHLWXZYRH-UHFFFAOYSA-N 1 2 355.822 2.935 20 5 FFBDLO Cc1noc(C[NH2+][C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)c1[N+](=O)[O-] ZINC000599543706 521285298 /nfs/dbraw/zinc/28/52/98/521285298.db2.gz FBJKMUNDAOJUQR-QMTHXVAHSA-N 1 2 357.288 2.915 20 5 FFBDLO CCn1c2ccccc2[nH+]c1CCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611710806 521292614 /nfs/dbraw/zinc/29/26/14/521292614.db2.gz XVUVKDSWCQLSPW-UHFFFAOYSA-N 1 2 362.393 2.984 20 5 FFBDLO O=C([C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl)N1CCSCC1 ZINC000611777583 521327257 /nfs/dbraw/zinc/32/72/57/521327257.db2.gz DLEDTEUGDKKGHC-HNNXBMFYSA-N 1 2 369.874 2.788 20 5 FFBDLO O=C([C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl)N1CCSCC1 ZINC000611777583 521327262 /nfs/dbraw/zinc/32/72/62/521327262.db2.gz DLEDTEUGDKKGHC-HNNXBMFYSA-N 1 2 369.874 2.788 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@H]([NH+]4CCOCC4)C3)co2)cc1 ZINC000593996034 521336422 /nfs/dbraw/zinc/33/64/22/521336422.db2.gz HOUQCZUHAAQMQR-SFHVURJKSA-N 1 2 372.425 2.546 20 5 FFBDLO CC(=O)NC1CC[NH+](Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602452709 521354276 /nfs/dbraw/zinc/35/42/76/521354276.db2.gz FVYQHQOLTUPLGT-UHFFFAOYSA-N 1 2 362.249 2.519 20 5 FFBDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)CC2 ZINC000599696944 521408839 /nfs/dbraw/zinc/40/88/39/521408839.db2.gz MNWDNUMLXKAVDI-OAHLLOKOSA-N 1 2 354.410 2.853 20 5 FFBDLO CN(C)c1cc[nH+]c(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000612347438 521585002 /nfs/dbraw/zinc/58/50/02/521585002.db2.gz XEKSCLUNXLEJJB-UHFFFAOYSA-N 1 2 366.381 2.709 20 5 FFBDLO Cc1nc(N(C)C)nc(NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[nH+]1 ZINC000486015574 561335399 /nfs/dbraw/zinc/33/53/99/561335399.db2.gz JTRDGRVGXOCVDA-UHFFFAOYSA-N 1 2 356.308 2.785 20 5 FFBDLO Cc1nc(NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nc(N(C)C)[nH+]1 ZINC000486015574 561335400 /nfs/dbraw/zinc/33/54/00/561335400.db2.gz JTRDGRVGXOCVDA-UHFFFAOYSA-N 1 2 356.308 2.785 20 5 FFBDLO COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](O)[C@@H](F)C3)o2)c([N+](=O)[O-])c1 ZINC000898192656 735324617 /nfs/dbraw/zinc/32/46/17/735324617.db2.gz LFALKPQXVUXXHK-GOEBONIOSA-N 1 2 350.346 2.768 20 5 FFBDLO COc1ccc(-c2ccc(C[N@H+]3CC[C@@H](O)[C@@H](F)C3)o2)c([N+](=O)[O-])c1 ZINC000898192656 735324618 /nfs/dbraw/zinc/32/46/18/735324618.db2.gz LFALKPQXVUXXHK-GOEBONIOSA-N 1 2 350.346 2.768 20 5 FFBDLO CCc1ccc(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)cc1[N+](=O)[O-] ZINC000746614793 735498775 /nfs/dbraw/zinc/49/87/75/735498775.db2.gz GOSCQGUKKORKEV-UHFFFAOYSA-N 1 2 355.385 2.959 20 5 FFBDLO CCc1ccc(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)cc1[N+](=O)[O-] ZINC000746614793 735498778 /nfs/dbraw/zinc/49/87/78/735498778.db2.gz GOSCQGUKKORKEV-UHFFFAOYSA-N 1 2 355.385 2.959 20 5 FFBDLO C[C@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCCCCC1 ZINC000859566629 730459183 /nfs/dbraw/zinc/45/91/83/730459183.db2.gz JWIUAGPSWGDIFL-GFCCVEGCSA-N 1 2 352.362 2.724 20 5 FFBDLO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000770378846 737620320 /nfs/dbraw/zinc/62/03/20/737620320.db2.gz HKJBJRQJPTUAJT-LBPRGKRZSA-N 1 2 370.247 2.658 20 5 FFBDLO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000770378846 737620323 /nfs/dbraw/zinc/62/03/23/737620323.db2.gz HKJBJRQJPTUAJT-LBPRGKRZSA-N 1 2 370.247 2.658 20 5 FFBDLO COCC1([N@H+](C)Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 ZINC000878318917 732513732 /nfs/dbraw/zinc/51/37/32/732513732.db2.gz ZHPDNVZLMAKPBI-UHFFFAOYSA-N 1 2 352.778 2.909 20 5 FFBDLO COCC1([N@@H+](C)Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 ZINC000878318917 732513739 /nfs/dbraw/zinc/51/37/39/732513739.db2.gz ZHPDNVZLMAKPBI-UHFFFAOYSA-N 1 2 352.778 2.909 20 5 FFBDLO O=C(C[N@@H+]1CC[C@H]2CSC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000879558472 732722414 /nfs/dbraw/zinc/72/24/14/732722414.db2.gz JHEWNWYXZGVRMW-WDEREUQCSA-N 1 2 355.847 2.872 20 5 FFBDLO O=C(C[N@H+]1CC[C@H]2CSC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000879558472 732722416 /nfs/dbraw/zinc/72/24/16/732722416.db2.gz JHEWNWYXZGVRMW-WDEREUQCSA-N 1 2 355.847 2.872 20 5 FFBDLO Cc1c(NS(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)cccc1[N+](=O)[O-] ZINC000886399532 733782855 /nfs/dbraw/zinc/78/28/55/733782855.db2.gz ZTLASJPBMCOPFL-UHFFFAOYSA-N 1 2 361.423 2.692 20 5 FFBDLO Cc1c(NS(=O)(=O)c2cccc3c2CC[N@H+](C)C3)cccc1[N+](=O)[O-] ZINC000886399532 733782856 /nfs/dbraw/zinc/78/28/56/733782856.db2.gz ZTLASJPBMCOPFL-UHFFFAOYSA-N 1 2 361.423 2.692 20 5 FFBDLO CCn1cnc2c1CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000897336945 735221052 /nfs/dbraw/zinc/22/10/52/735221052.db2.gz SCFMYCQPKUOUGY-UHFFFAOYSA-N 1 2 352.341 2.971 20 5 FFBDLO CCn1cnc2c1CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000897336945 735221055 /nfs/dbraw/zinc/22/10/55/735221055.db2.gz SCFMYCQPKUOUGY-UHFFFAOYSA-N 1 2 352.341 2.971 20 5 FFBDLO CCn1c[nH+]c2c1CCN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000897336945 735221060 /nfs/dbraw/zinc/22/10/60/735221060.db2.gz SCFMYCQPKUOUGY-UHFFFAOYSA-N 1 2 352.341 2.971 20 5 FFBDLO COC(=O)c1cc([N+](=O)[O-])c(NCC[N@@H+]2CCOC(C)(C)C2)cc1Cl ZINC000765488136 737123394 /nfs/dbraw/zinc/12/33/94/737123394.db2.gz FSFNBVQIMDTBRO-UHFFFAOYSA-N 1 2 371.821 2.558 20 5 FFBDLO COC(=O)c1cc([N+](=O)[O-])c(NCC[N@H+]2CCOC(C)(C)C2)cc1Cl ZINC000765488136 737123397 /nfs/dbraw/zinc/12/33/97/737123397.db2.gz FSFNBVQIMDTBRO-UHFFFAOYSA-N 1 2 371.821 2.558 20 5 FFBDLO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000776812000 738235687 /nfs/dbraw/zinc/23/56/87/738235687.db2.gz QKSCILKNCRFSCF-STQMWFEESA-N 1 2 351.403 2.647 20 5 FFBDLO C[C@H](c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1)[NH+](C)C ZINC000923932291 738345406 /nfs/dbraw/zinc/34/54/06/738345406.db2.gz XDELFMWCBYMVIW-MRVPVSSYSA-N 1 2 355.192 2.954 20 5 FFBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000806252838 741047917 /nfs/dbraw/zinc/04/79/17/741047917.db2.gz KXCLXSZNDCRCDF-WCQYABFASA-N 1 2 368.821 2.575 20 5 FFBDLO O=C(NC1CC1)OC[C@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000810037232 741374760 /nfs/dbraw/zinc/37/47/60/741374760.db2.gz IEDQVCFLVSAEHX-CYBMUJFWSA-N 1 2 351.378 2.977 20 5 FFBDLO O=C(NC1CC1)OC[C@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000810037232 741374762 /nfs/dbraw/zinc/37/47/62/741374762.db2.gz IEDQVCFLVSAEHX-CYBMUJFWSA-N 1 2 351.378 2.977 20 5 FFBDLO O=C(NC1CC1)OC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000810037904 741374977 /nfs/dbraw/zinc/37/49/77/741374977.db2.gz WRIYLVKJTVYTBE-CQSZACIVSA-N 1 2 351.378 2.977 20 5 FFBDLO O=C(NC1CC1)OC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000810037904 741374982 /nfs/dbraw/zinc/37/49/82/741374982.db2.gz WRIYLVKJTVYTBE-CQSZACIVSA-N 1 2 351.378 2.977 20 5 FFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000817278531 742116363 /nfs/dbraw/zinc/11/63/63/742116363.db2.gz XEJZSRZAYBZXNP-WOPDTQHZSA-N 1 2 355.822 2.526 20 5 FFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000817278531 742116365 /nfs/dbraw/zinc/11/63/65/742116365.db2.gz XEJZSRZAYBZXNP-WOPDTQHZSA-N 1 2 355.822 2.526 20 5 FFBDLO Cc1cc(Cl)c(C(=O)N2CC[NH+](CCOC(C)C)CC2)cc1[N+](=O)[O-] ZINC000826573305 743399158 /nfs/dbraw/zinc/39/91/58/743399158.db2.gz CLGNVQWNOAVDLD-UHFFFAOYSA-N 1 2 369.849 2.739 20 5 FFBDLO O=[N+]([O-])c1cccc(C[NH+]2CCC(O)(C(F)F)CC2)c1Br ZINC000839570100 746858672 /nfs/dbraw/zinc/85/86/72/746858672.db2.gz YDYWMMFKVXLZEQ-UHFFFAOYSA-N 1 2 365.174 2.949 20 5 FFBDLO CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000839719850 746903105 /nfs/dbraw/zinc/90/31/05/746903105.db2.gz ANCSVHFMNLDGDJ-MSQAHXEGSA-N 1 2 369.824 2.784 20 5 FFBDLO CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000839719850 746903110 /nfs/dbraw/zinc/90/31/10/746903110.db2.gz ANCSVHFMNLDGDJ-MSQAHXEGSA-N 1 2 369.824 2.784 20 5 FFBDLO Cc1nn(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000840165638 747025160 /nfs/dbraw/zinc/02/51/60/747025160.db2.gz XNKMGPMXRNZGIH-ZDUSSCGKSA-N 1 2 362.352 2.738 20 5 FFBDLO Cc1nn(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000840165638 747025167 /nfs/dbraw/zinc/02/51/67/747025167.db2.gz XNKMGPMXRNZGIH-ZDUSSCGKSA-N 1 2 362.352 2.738 20 5 FFBDLO O=C(NC1CC1)OC[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000852055697 749763812 /nfs/dbraw/zinc/76/38/12/749763812.db2.gz VWWHMYFMNXLUAY-OAHLLOKOSA-N 1 2 351.378 2.977 20 5 FFBDLO O=C(NC1CC1)OC[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000852055697 749763816 /nfs/dbraw/zinc/76/38/16/749763816.db2.gz VWWHMYFMNXLUAY-OAHLLOKOSA-N 1 2 351.378 2.977 20 5 FFBDLO C[C@@H](NC(=O)c1cc2ccccc2c2cccnc12)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896569855 971594839 /nfs/dbraw/zinc/59/48/39/971594839.db2.gz JESHXHYSVYJZLD-QRWLVFNGSA-N 1 2 362.477 2.752 20 5 FFBDLO C[C@@H](NC(=O)c1cc2ccccc2c2cccnc12)[C@@H]1CN(C)CC[N@H+]1C ZINC000896569855 971594847 /nfs/dbraw/zinc/59/48/47/971594847.db2.gz JESHXHYSVYJZLD-QRWLVFNGSA-N 1 2 362.477 2.752 20 5 FFBDLO CSc1nc(Cl)nc(N2CCC(n3cc[nH+]c3)CC2)c1[N+](=O)[O-] ZINC001167125978 960199932 /nfs/dbraw/zinc/19/99/32/960199932.db2.gz MLHXUQHIKCEQJO-UHFFFAOYSA-N 1 2 354.823 2.798 20 5 FFBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCCCNc1cccc[nH+]1 ZINC000135184742 963817838 /nfs/dbraw/zinc/81/78/38/963817838.db2.gz JKOQGOVAYRUQCO-UHFFFAOYSA-N 1 2 353.382 2.632 20 5 FFBDLO C[C@H](C1CC1)N(C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000051233163 964422081 /nfs/dbraw/zinc/42/20/81/964422081.db2.gz ZAPLIAKYPTXAMV-OAHLLOKOSA-N 1 2 372.469 2.506 20 5 FFBDLO O=C(OCCC[NH+]1CCOCC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000773598169 1013806117 /nfs/dbraw/zinc/80/61/17/1013806117.db2.gz HEISPQKEVIPRDZ-UHFFFAOYSA-N 1 2 366.417 2.560 20 5 FFBDLO COc1cc(C(=O)N2CC3(CC[N@@H+]3Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000910785904 982050885 /nfs/dbraw/zinc/05/08/85/982050885.db2.gz UVKPFKMHFFZBGQ-UHFFFAOYSA-N 1 2 367.405 2.704 20 5 FFBDLO COc1cc(C(=O)N2CC3(CC[N@H+]3Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000910785904 982050898 /nfs/dbraw/zinc/05/08/98/982050898.db2.gz UVKPFKMHFFZBGQ-UHFFFAOYSA-N 1 2 367.405 2.704 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910790797 982053299 /nfs/dbraw/zinc/05/32/99/982053299.db2.gz MUSXEPLTRLBWJD-UHFFFAOYSA-N 1 2 367.405 2.704 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910790797 982053312 /nfs/dbraw/zinc/05/33/12/982053312.db2.gz MUSXEPLTRLBWJD-UHFFFAOYSA-N 1 2 367.405 2.704 20 5 FFBDLO COc1cccc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1[N+](=O)[O-] ZINC000194055445 989142490 /nfs/dbraw/zinc/14/24/90/989142490.db2.gz VOCFXBQXIKAAFD-UHFFFAOYSA-N 1 2 370.409 2.919 20 5 FFBDLO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000916418747 989792128 /nfs/dbraw/zinc/79/21/28/989792128.db2.gz NBZNIKNNCVKXJQ-UHFFFAOYSA-N 1 2 362.349 2.769 20 5 FFBDLO COc1cccc2c1CC[C@]2(CO)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000880384975 1015823051 /nfs/dbraw/zinc/82/30/51/1015823051.db2.gz VLAMQSOGRJTEHW-GOSISDBHSA-N 1 2 364.348 2.805 20 5 FFBDLO CC(C)(NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@@H]1CCCCO1 ZINC001132952181 995215563 /nfs/dbraw/zinc/21/55/63/995215563.db2.gz GMKSVHHENWENMV-INIZCTEOSA-N 1 2 358.398 2.858 20 5 FFBDLO C[C@@H](C[C@H](O)c1ccco1)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001137274695 1016061892 /nfs/dbraw/zinc/06/18/92/1016061892.db2.gz CQTWAVFBFMQVQF-LRDDRELGSA-N 1 2 370.365 2.616 20 5 FFBDLO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000742401512 999773924 /nfs/dbraw/zinc/77/39/24/999773924.db2.gz VGTMUJLQAKGDFS-HNNXBMFYSA-N 1 2 355.398 2.525 20 5 FFBDLO C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1nc(Cc2ccccc2)no1 ZINC000743463728 999820216 /nfs/dbraw/zinc/82/02/16/999820216.db2.gz QUQOTMADHRSDNE-DYVFJYSZSA-N 1 2 368.393 2.953 20 5 FFBDLO CC(C)(C)OC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168977758 1000012232 /nfs/dbraw/zinc/01/22/32/1000012232.db2.gz LQRPIQGNKUWJBH-INMHGKMJSA-N 1 2 364.442 2.680 20 5 FFBDLO Cc1c([N+](=O)[O-])cc(C(=O)OCc2cc[nH+]c(N(C)C)c2)cc1[N+](=O)[O-] ZINC000767503115 1000117046 /nfs/dbraw/zinc/11/70/46/1000117046.db2.gz XIEIKIMYCVBWIT-UHFFFAOYSA-N 1 2 360.326 2.629 20 5 FFBDLO CC(C)n1ccc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000785677432 1001466474 /nfs/dbraw/zinc/46/64/74/1001466474.db2.gz MHZVLJQRIHKIGX-UHFFFAOYSA-N 1 2 355.354 2.915 20 5 FFBDLO C[C@@H]1OCC[C@@]12C[N@H+](Cn1cc(-c3ccc([N+](=O)[O-])cc3)cn1)C[C@@H](C)O2 ZINC000790403269 1002363142 /nfs/dbraw/zinc/36/31/42/1002363142.db2.gz QIABBUQXDBLYLY-ZRGWGRIASA-N 1 2 372.425 2.684 20 5 FFBDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cn1cc(-c3ccc([N+](=O)[O-])cc3)cn1)C[C@@H](C)O2 ZINC000790403269 1002363151 /nfs/dbraw/zinc/36/31/51/1002363151.db2.gz QIABBUQXDBLYLY-ZRGWGRIASA-N 1 2 372.425 2.684 20 5 FFBDLO COc1ccc(C[C@@H](C)N2CC[NH+](Cc3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC001170326942 1003112981 /nfs/dbraw/zinc/11/29/81/1003112981.db2.gz CRWKNZWCYAAHCP-MRXNPFEDSA-N 1 2 370.453 2.747 20 5 FFBDLO CCOC(=O)c1cc([N+](=O)[O-])c(NCC[N@@H+]2C[C@H](C)OC[C@H]2C)cc1C ZINC001186990168 1003521797 /nfs/dbraw/zinc/52/17/97/1003521797.db2.gz SJYGMNGDLTUNBA-KGLIPLIRSA-N 1 2 365.430 2.601 20 5 FFBDLO CCOC(=O)c1cc([N+](=O)[O-])c(NCC[N@H+]2C[C@H](C)OC[C@H]2C)cc1C ZINC001186990168 1003521802 /nfs/dbraw/zinc/52/18/02/1003521802.db2.gz SJYGMNGDLTUNBA-KGLIPLIRSA-N 1 2 365.430 2.601 20 5 FFBDLO CCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC001131009616 1004649658 /nfs/dbraw/zinc/64/96/58/1004649658.db2.gz JHTOCWWBYAPLBW-UHFFFAOYSA-N 1 2 353.338 2.827 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000776278601 1005344839 /nfs/dbraw/zinc/34/48/39/1005344839.db2.gz UODUICNNWRQDQU-MSOLQXFVSA-N 1 2 370.384 2.880 20 5 FFBDLO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[NH+]1CCC(c2ccon2)CC1 ZINC000853589206 1006462207 /nfs/dbraw/zinc/46/22/07/1006462207.db2.gz JZXZUBHMEUNWBS-KRWDZBQOSA-N 1 2 370.409 2.736 20 5 FFBDLO C[N@H+](C[C@H]1CCc2ccccc21)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000853610605 1006473839 /nfs/dbraw/zinc/47/38/39/1006473839.db2.gz QIOASAJJGXKPGI-CQSZACIVSA-N 1 2 365.389 2.810 20 5 FFBDLO C[N@@H+](C[C@H]1CCc2ccccc21)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000853610605 1006473847 /nfs/dbraw/zinc/47/38/47/1006473847.db2.gz QIOASAJJGXKPGI-CQSZACIVSA-N 1 2 365.389 2.810 20 5 FFBDLO O=C1NCCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@H]1Cc1ccccc1 ZINC000815141227 1006528738 /nfs/dbraw/zinc/52/87/38/1006528738.db2.gz WDJSHYBSVFBVMS-SFHVURJKSA-N 1 2 357.385 2.667 20 5 FFBDLO O=C1NCCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@H]1Cc1ccccc1 ZINC000815141227 1006528746 /nfs/dbraw/zinc/52/87/46/1006528746.db2.gz WDJSHYBSVFBVMS-SFHVURJKSA-N 1 2 357.385 2.667 20 5 FFBDLO C[C@@H]1C[C@H](C)[N@H+](Cn2cc([N+](=O)[O-])cn2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000817378608 1007570498 /nfs/dbraw/zinc/57/04/98/1007570498.db2.gz VUAYJQXMDUFCES-HZSPNIEDSA-N 1 2 367.450 2.620 20 5 FFBDLO C[C@@H]1C[C@H](C)[N@@H+](Cn2cc([N+](=O)[O-])cn2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000817378608 1007570504 /nfs/dbraw/zinc/57/05/04/1007570504.db2.gz VUAYJQXMDUFCES-HZSPNIEDSA-N 1 2 367.450 2.620 20 5 FFBDLO Cc1ccc(O[C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)nc1 ZINC000858034694 1008283757 /nfs/dbraw/zinc/28/37/57/1008283757.db2.gz CLPULBYIRVBLGV-RHSMWYFYSA-N 1 2 370.409 2.779 20 5 FFBDLO Cc1ccc(O[C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)nc1 ZINC000858034694 1008283765 /nfs/dbraw/zinc/28/37/65/1008283765.db2.gz CLPULBYIRVBLGV-RHSMWYFYSA-N 1 2 370.409 2.779 20 5 FFBDLO CC1(C)CC2(CC(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)C2)CO1 ZINC000889736248 1010080837 /nfs/dbraw/zinc/08/08/37/1010080837.db2.gz XUEDRLCSHKSDMC-UHFFFAOYSA-N 1 2 370.409 2.858 20 5 FFBDLO CN(CC[N@H+](C)Cn1c(=O)oc2cccc([N+](=O)[O-])c21)c1ccccc1 ZINC000794626984 1010446322 /nfs/dbraw/zinc/44/63/22/1010446322.db2.gz ZCQHJIPXTHXZGJ-UHFFFAOYSA-N 1 2 356.382 2.528 20 5 FFBDLO CN(CC[N@@H+](C)Cn1c(=O)oc2cccc([N+](=O)[O-])c21)c1ccccc1 ZINC000794626984 1010446330 /nfs/dbraw/zinc/44/63/30/1010446330.db2.gz ZCQHJIPXTHXZGJ-UHFFFAOYSA-N 1 2 356.382 2.528 20 5 FFBDLO Cc1ccc(C[N@H+]2CCc3nnc(-c4cnn(C)c4)cc3C2)cc1[N+](=O)[O-] ZINC000828104026 1032600359 /nfs/dbraw/zinc/60/03/59/1032600359.db2.gz JIYBLOJCXAIQJI-UHFFFAOYSA-N 1 2 364.409 2.652 20 5 FFBDLO Cc1ccc(C[N@@H+]2CCc3nnc(-c4cnn(C)c4)cc3C2)cc1[N+](=O)[O-] ZINC000828104026 1032600366 /nfs/dbraw/zinc/60/03/66/1032600366.db2.gz JIYBLOJCXAIQJI-UHFFFAOYSA-N 1 2 364.409 2.652 20 5 FFBDLO O=C(N[C@@H](C1CCC1)[C@@H]1CCOC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000871305474 1012841013 /nfs/dbraw/zinc/84/10/13/1012841013.db2.gz BOUKLHXIFZSFGC-QAPCUYQASA-N 1 2 370.409 2.716 20 5 FFBDLO COC(=O)c1ccc(C[N@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)cc1 ZINC000748448076 1017239172 /nfs/dbraw/zinc/23/91/72/1017239172.db2.gz BJTMXTLAFBIWQZ-UHFFFAOYSA-N 1 2 369.381 2.524 20 5 FFBDLO COC(=O)c1ccc(C[N@@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)cc1 ZINC000748448076 1017239180 /nfs/dbraw/zinc/23/91/80/1017239180.db2.gz BJTMXTLAFBIWQZ-UHFFFAOYSA-N 1 2 369.381 2.524 20 5 FFBDLO COc1ccc(OCCOC(=O)[C@H](c2ccccc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000780090678 1020057816 /nfs/dbraw/zinc/05/78/16/1020057816.db2.gz CHBGWTQHEDEWAG-SFHVURJKSA-N 1 2 374.393 2.828 20 5 FFBDLO CCC[C@@]1(C2CC2)NC(=O)N(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000802742038 1020373209 /nfs/dbraw/zinc/37/32/09/1020373209.db2.gz YWKGPIDIUTWXHO-IBGZPJMESA-N 1 2 374.441 2.527 20 5 FFBDLO CCC[C@@]1(C2CC2)NC(=O)N(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000802742038 1020373220 /nfs/dbraw/zinc/37/32/20/1020373220.db2.gz YWKGPIDIUTWXHO-IBGZPJMESA-N 1 2 374.441 2.527 20 5 FFBDLO CC(C)C[C@@]1(C)CC(=O)N(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000800865727 1020609337 /nfs/dbraw/zinc/60/93/37/1020609337.db2.gz IIBISBYGLYKLFL-IBGZPJMESA-N 1 2 361.442 2.838 20 5 FFBDLO CC(C)C[C@@]1(C)CC(=O)N(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000800865727 1020609340 /nfs/dbraw/zinc/60/93/40/1020609340.db2.gz IIBISBYGLYKLFL-IBGZPJMESA-N 1 2 361.442 2.838 20 5 FFBDLO CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@@H]21 ZINC000932060856 1020694374 /nfs/dbraw/zinc/69/43/74/1020694374.db2.gz TWFMZEHUZSFLBJ-IXDOHACOSA-N 1 2 371.393 2.881 20 5 FFBDLO CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@@H]21 ZINC000932060856 1020694379 /nfs/dbraw/zinc/69/43/79/1020694379.db2.gz TWFMZEHUZSFLBJ-IXDOHACOSA-N 1 2 371.393 2.881 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2ccn(C)n2)C1 ZINC000932137155 1020717974 /nfs/dbraw/zinc/71/79/74/1020717974.db2.gz MPMGBXZZVDNUBJ-KGLIPLIRSA-N 1 2 357.414 2.535 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2ccn(C)n2)C1 ZINC000932137155 1020717981 /nfs/dbraw/zinc/71/79/81/1020717981.db2.gz MPMGBXZZVDNUBJ-KGLIPLIRSA-N 1 2 357.414 2.535 20 5 FFBDLO COc1cc([C@H](C)[NH2+][C@H]2c3ccccc3CN(C)C2=O)cc([N+](=O)[O-])c1 ZINC000903205825 1020738720 /nfs/dbraw/zinc/73/87/20/1020738720.db2.gz FQMKUNUFUDAWSH-SGTLLEGYSA-N 1 2 355.394 2.967 20 5 FFBDLO O=[N+]([O-])c1cc(O[C@H]2CC[NH2+]CC2(F)F)c(F)cc1Br ZINC001218005791 1032947029 /nfs/dbraw/zinc/94/70/29/1032947029.db2.gz HWNVDMTXGQWBSP-JTQLQIEISA-N 1 2 355.110 2.872 20 5 FFBDLO CCOc1cc(C[NH2+]C2(c3ncccn3)CCOCC2)ccc1[N+](=O)[O-] ZINC000933340217 1020996558 /nfs/dbraw/zinc/99/65/58/1020996558.db2.gz XDAJNJUKBMAKPB-UHFFFAOYSA-N 1 2 358.398 2.579 20 5 FFBDLO C[N@@H+](Cc1ccn(-c2ccccc2)n1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749675178 1021019094 /nfs/dbraw/zinc/01/90/94/1021019094.db2.gz JBSVHVZSVXYXOI-LJQANCHMSA-N 1 2 352.394 2.946 20 5 FFBDLO C[N@H+](Cc1ccn(-c2ccccc2)n1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749675178 1021019099 /nfs/dbraw/zinc/01/90/99/1021019099.db2.gz JBSVHVZSVXYXOI-LJQANCHMSA-N 1 2 352.394 2.946 20 5 FFBDLO COc1cc(C(=O)Nc2ccc(C)[nH+]c2N(C)C)c([N+](=O)[O-])cc1OC ZINC000749993032 1021203810 /nfs/dbraw/zinc/20/38/10/1021203810.db2.gz YIFVTXHPEZMVKJ-UHFFFAOYSA-N 1 2 360.370 2.634 20 5 FFBDLO CCc1ccccc1NC(=O)C[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750035251 1021251545 /nfs/dbraw/zinc/25/15/45/1021251545.db2.gz FAUUIUWMCMEMNS-GOSISDBHSA-N 1 2 357.410 2.761 20 5 FFBDLO CCc1ccccc1NC(=O)C[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750035251 1021251555 /nfs/dbraw/zinc/25/15/55/1021251555.db2.gz FAUUIUWMCMEMNS-GOSISDBHSA-N 1 2 357.410 2.761 20 5 FFBDLO Cc1cc2nc3nc(=O)[nH]c(O[C@H]4CCC[C@@]45CC[NH2+]C5)c3nc2cc1C ZINC001218092381 1032992165 /nfs/dbraw/zinc/99/21/65/1032992165.db2.gz HPRDUMPGQIDDIA-YWZLYKJASA-N 1 2 365.437 2.806 20 5 FFBDLO CC(C)Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001017543472 1022247855 /nfs/dbraw/zinc/24/78/55/1022247855.db2.gz DAXKWEKWJNCVKZ-IYWMVGAKSA-N 1 2 371.481 2.726 20 5 FFBDLO CC(C)Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001017543472 1022247867 /nfs/dbraw/zinc/24/78/67/1022247867.db2.gz DAXKWEKWJNCVKZ-IYWMVGAKSA-N 1 2 371.481 2.726 20 5 FFBDLO C[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN1C(=O)OC(C)(C)C ZINC000189331985 1023259872 /nfs/dbraw/zinc/25/98/72/1023259872.db2.gz ITJMZRVHNQUKGK-CZUORRHYSA-N 1 2 365.430 2.569 20 5 FFBDLO C[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN1C(=O)OC(C)(C)C ZINC000189331985 1023259877 /nfs/dbraw/zinc/25/98/77/1023259877.db2.gz ITJMZRVHNQUKGK-CZUORRHYSA-N 1 2 365.430 2.569 20 5 FFBDLO CC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cn2cc([N+](=O)[O-])c(C)n2)CC1 ZINC000779863998 1025179509 /nfs/dbraw/zinc/17/95/09/1025179509.db2.gz BODZSBUEGVDPCI-QGZVFWFLSA-N 1 2 363.462 2.560 20 5 FFBDLO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000839991360 1026901920 /nfs/dbraw/zinc/90/19/20/1026901920.db2.gz DOONIGWZXPZMPP-UGSOOPFHSA-N 1 2 357.366 2.572 20 5 FFBDLO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000839991360 1026901931 /nfs/dbraw/zinc/90/19/31/1026901931.db2.gz DOONIGWZXPZMPP-UGSOOPFHSA-N 1 2 357.366 2.572 20 5 FFBDLO Cc1nn(C[N@H+]2CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000840155625 1026989348 /nfs/dbraw/zinc/98/93/48/1026989348.db2.gz TVJWKCZNJPKTRV-OCCSQVGLSA-N 1 2 367.450 2.540 20 5 FFBDLO Cc1nn(C[N@@H+]2CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000840155625 1026989352 /nfs/dbraw/zinc/98/93/52/1026989352.db2.gz TVJWKCZNJPKTRV-OCCSQVGLSA-N 1 2 367.450 2.540 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001158621463 1027076089 /nfs/dbraw/zinc/07/60/89/1027076089.db2.gz GIVOQDZAEDXTCI-OAHLLOKOSA-N 1 2 363.368 2.848 20 5 FFBDLO O=C(OCC[NH+]1CCSCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000781261786 1029111352 /nfs/dbraw/zinc/11/13/52/1029111352.db2.gz XSFSHDLXJFOVBD-UHFFFAOYSA-N 1 2 368.458 2.887 20 5 FFBDLO COC(=O)c1cc([N+](=O)[O-])cnc1N(C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001156775786 1029342223 /nfs/dbraw/zinc/34/22/23/1029342223.db2.gz LMAIMSOFTRJNGU-UHFFFAOYSA-N 1 2 367.365 2.599 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@@H+](C3COC3)C2)nc1-c1ccccc1 ZINC001157587570 1029624765 /nfs/dbraw/zinc/62/47/65/1029624765.db2.gz RDRSLIPOIYNJQR-OAHLLOKOSA-N 1 2 354.410 2.932 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@H+](C3COC3)C2)nc1-c1ccccc1 ZINC001157587570 1029624771 /nfs/dbraw/zinc/62/47/71/1029624771.db2.gz RDRSLIPOIYNJQR-OAHLLOKOSA-N 1 2 354.410 2.932 20 5 FFBDLO COc1ccc(C(N)=[NH+]OCCOc2ccccc2[N+](=O)[O-])cc1OC ZINC000782318278 1029655395 /nfs/dbraw/zinc/65/53/95/1029655395.db2.gz VZHJFPOPSCOVNV-UHFFFAOYSA-N 1 2 361.354 2.538 20 5 FFBDLO Cc1cccc([C@@H]2CC[N@H+](CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C2)c1 ZINC000784027862 1030426843 /nfs/dbraw/zinc/42/68/43/1030426843.db2.gz UYTBIBDSPSPYIT-OAHLLOKOSA-N 1 2 365.389 2.946 20 5 FFBDLO Cc1cccc([C@@H]2CC[N@@H+](CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C2)c1 ZINC000784027862 1030426858 /nfs/dbraw/zinc/42/68/58/1030426858.db2.gz UYTBIBDSPSPYIT-OAHLLOKOSA-N 1 2 365.389 2.946 20 5 FFBDLO COc1c(O)ccc(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c1[N+](=O)[O-] ZINC001204833528 1031449615 /nfs/dbraw/zinc/44/96/15/1031449615.db2.gz OPOQCZHZNRRYGT-UHFFFAOYSA-N 1 2 371.393 2.573 20 5 FFBDLO COc1c(O)ccc(C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c1[N+](=O)[O-] ZINC001204833528 1031449622 /nfs/dbraw/zinc/44/96/22/1031449622.db2.gz OPOQCZHZNRRYGT-UHFFFAOYSA-N 1 2 371.393 2.573 20 5 FFBDLO COC(=O)c1cc(COC2C[NH+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC001223688260 1033549794 /nfs/dbraw/zinc/54/97/94/1033549794.db2.gz GXNUOJOWOSVFGQ-UHFFFAOYSA-N 1 2 356.378 2.782 20 5 FFBDLO Cc1ccc(N2CCC(Oc3ncc([N+](=O)[O-])c4nc[nH]c43)CC2)[nH+]c1 ZINC001227691558 1035675139 /nfs/dbraw/zinc/67/51/39/1035675139.db2.gz PJPLJPJAWCWUSB-UHFFFAOYSA-N 1 2 354.370 2.617 20 5 FFBDLO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001536341514 1069957523 /nfs/dbraw/zinc/95/75/23/1069957523.db2.gz CZFCKQUIKAFAIM-KRWDZBQOSA-N 1 2 350.378 2.892 20 5 FFBDLO C[N@@H+]1[C@@H]2C[C@H](Oc3c(F)cc(Br)cc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001228481423 1036137788 /nfs/dbraw/zinc/13/77/88/1036137788.db2.gz QZIYDHXRQRJUJW-KDDOJWQBSA-N 1 2 373.178 2.679 20 5 FFBDLO C[N@H+]1[C@@H]2C[C@H](Oc3c(F)cc(Br)cc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001228481423 1036137801 /nfs/dbraw/zinc/13/78/01/1036137801.db2.gz QZIYDHXRQRJUJW-KDDOJWQBSA-N 1 2 373.178 2.679 20 5 FFBDLO CC(C)OC1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCC1 ZINC001537451306 1070187603 /nfs/dbraw/zinc/18/76/03/1070187603.db2.gz NYNIOJZZSDEXTM-UHFFFAOYSA-N 1 2 358.398 2.858 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CC(F)(F)CC[C@H]3CO)CC2)cc1 ZINC001254476651 1040741731 /nfs/dbraw/zinc/74/17/31/1040741731.db2.gz VJPUILFJQJYKFL-INIZCTEOSA-N 1 2 355.385 2.656 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC(F)(F)CC[C@H]3CO)CC2)cc1 ZINC001254476651 1040741747 /nfs/dbraw/zinc/74/17/47/1040741747.db2.gz VJPUILFJQJYKFL-INIZCTEOSA-N 1 2 355.385 2.656 20 5 FFBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)Cc2ccsc2)CC1 ZINC001254570600 1040807180 /nfs/dbraw/zinc/80/71/80/1040807180.db2.gz OLKQDNHHGULMTQ-HNNXBMFYSA-N 1 2 373.478 2.974 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[C@H]([NH+]3CCCC3)C(F)(F)C1)C2 ZINC001254611695 1040838790 /nfs/dbraw/zinc/83/87/90/1040838790.db2.gz RNCZVGRZHLIZNA-IRXDYDNUSA-N 1 2 351.397 2.867 20 5 FFBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001311330231 1043888694 /nfs/dbraw/zinc/88/86/94/1043888694.db2.gz GZWHLNAOIMTYHZ-CQSZACIVSA-N 1 2 372.425 2.932 20 5 FFBDLO Cc1cc2ncn(C[C@@H](O)C[N@@H+]3Cc4ccc([N+](=O)[O-])cc4C3)c2cc1C ZINC001318854965 1044911077 /nfs/dbraw/zinc/91/10/77/1044911077.db2.gz QXTUCYGURREBKN-SFHVURJKSA-N 1 2 366.421 2.938 20 5 FFBDLO Cc1cc2ncn(C[C@@H](O)C[N@H+]3Cc4ccc([N+](=O)[O-])cc4C3)c2cc1C ZINC001318854965 1044911087 /nfs/dbraw/zinc/91/10/87/1044911087.db2.gz QXTUCYGURREBKN-SFHVURJKSA-N 1 2 366.421 2.938 20 5 FFBDLO CCOCc1nc(C)cc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC001334138725 1049270455 /nfs/dbraw/zinc/27/04/55/1049270455.db2.gz FOVNBZYEYREHRF-UHFFFAOYSA-N 1 2 371.441 2.552 20 5 FFBDLO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC(Nc2cccc[nH+]2)CC1 ZINC001303748810 1051439410 /nfs/dbraw/zinc/43/94/10/1051439410.db2.gz CKUPSYYZIVPHFT-UHFFFAOYSA-N 1 2 369.425 2.895 20 5 FFBDLO COc1ccc(NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])c1 ZINC001345743217 1052596853 /nfs/dbraw/zinc/59/68/53/1052596853.db2.gz UXOMVZFDMBPJIE-LBPRGKRZSA-N 1 2 359.386 2.748 20 5 FFBDLO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CC(Oc2cc[nH+]cc2)C1 ZINC001542911536 1071333330 /nfs/dbraw/zinc/33/33/30/1071333330.db2.gz SITZMRQLGVRQEA-UHFFFAOYSA-N 1 2 351.721 2.686 20 5 FFBDLO COC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c1 ZINC001347835167 1054364072 /nfs/dbraw/zinc/36/40/72/1054364072.db2.gz MUVVNTGULDAESF-UHFFFAOYSA-N 1 2 366.333 2.819 20 5 FFBDLO Cn1c[nH+]cc1C1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC001348852137 1054962078 /nfs/dbraw/zinc/96/20/78/1054962078.db2.gz AWMSYHHPJOGWOJ-UHFFFAOYSA-N 1 2 353.382 2.829 20 5 FFBDLO CC(C)(CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21)[NH+]1CCOCC1 ZINC001349009195 1055048883 /nfs/dbraw/zinc/04/88/83/1055048883.db2.gz VHLWKBKOEKYPIN-UHFFFAOYSA-N 1 2 357.410 2.589 20 5 FFBDLO CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001356569485 1055589160 /nfs/dbraw/zinc/58/91/60/1055589160.db2.gz JFCJZUJMILLBPP-KRWDZBQOSA-N 1 2 370.457 2.926 20 5 FFBDLO CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001356569485 1055589173 /nfs/dbraw/zinc/58/91/73/1055589173.db2.gz JFCJZUJMILLBPP-KRWDZBQOSA-N 1 2 370.457 2.926 20 5 FFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001339107024 1056098122 /nfs/dbraw/zinc/09/81/22/1056098122.db2.gz DQWPSSUMQSHFPK-MRXNPFEDSA-N 1 2 360.801 2.738 20 5 FFBDLO COc1cc(C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)cc([N+](=O)[O-])c1C ZINC001544712184 1071681334 /nfs/dbraw/zinc/68/13/34/1071681334.db2.gz HZRJCWQBRAZCIZ-QGZVFWFLSA-N 1 2 355.394 2.828 20 5 FFBDLO COc1cc(C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)cc([N+](=O)[O-])c1C ZINC001544712184 1071681336 /nfs/dbraw/zinc/68/13/36/1071681336.db2.gz HZRJCWQBRAZCIZ-QGZVFWFLSA-N 1 2 355.394 2.828 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCCC[C@@H]1[C@H]1CCCO1 ZINC001518965100 1058569692 /nfs/dbraw/zinc/56/96/92/1058569692.db2.gz ZXZGXPZDWCKRQT-SJLPKXTDSA-N 1 2 370.409 2.954 20 5 FFBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001454533667 1059552671 /nfs/dbraw/zinc/55/26/71/1059552671.db2.gz GOMXCHIRAZNSIX-NSHDSACASA-N 1 2 358.423 2.638 20 5 FFBDLO O=C(Nc1cnc2c(c1)COCC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001520692254 1059967183 /nfs/dbraw/zinc/96/71/83/1059967183.db2.gz HNNPSDNVUWHKRI-UHFFFAOYSA-N 1 2 365.349 2.501 20 5 FFBDLO O=C(N[C@H]1CCC[N@H+](CCF)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001457917899 1060472961 /nfs/dbraw/zinc/47/29/61/1060472961.db2.gz ZMRHWXSOYYQKQD-LBPRGKRZSA-N 1 2 374.210 2.521 20 5 FFBDLO O=C(N[C@H]1CCC[N@@H+](CCF)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001457917899 1060472968 /nfs/dbraw/zinc/47/29/68/1060472968.db2.gz ZMRHWXSOYYQKQD-LBPRGKRZSA-N 1 2 374.210 2.521 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CON(C(=O)OC(C)(C)C)C1 ZINC001461799571 1061409063 /nfs/dbraw/zinc/40/90/63/1061409063.db2.gz MWCAYPUUCMFZBB-ZDUSSCGKSA-N 1 2 367.402 2.634 20 5 FFBDLO CCOC(=O)c1ncc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)s1 ZINC001461993370 1061473967 /nfs/dbraw/zinc/47/39/67/1061473967.db2.gz ONCZJAQPQAFUGO-UHFFFAOYSA-N 1 2 351.384 2.526 20 5 FFBDLO Cc1cc(OCC(=O)NC[C@H]2c3ccccc3C[N@H+]2C)ccc1[N+](=O)[O-] ZINC001438570153 1063014150 /nfs/dbraw/zinc/01/41/50/1063014150.db2.gz DMWZGJUCSFEQGZ-SFHVURJKSA-N 1 2 355.394 2.585 20 5 FFBDLO Cc1cc(OCC(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)ccc1[N+](=O)[O-] ZINC001438570153 1063014169 /nfs/dbraw/zinc/01/41/69/1063014169.db2.gz DMWZGJUCSFEQGZ-SFHVURJKSA-N 1 2 355.394 2.585 20 5 FFBDLO CC(C)N=c1ccccn1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001532315727 1063034605 /nfs/dbraw/zinc/03/46/05/1063034605.db2.gz VXZNLTUKUYFCBQ-UHFFFAOYSA-N 1 2 351.366 2.580 20 5 FFBDLO O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(NCc3ccn4cc[nH+]c4c3)c2c1 ZINC001472727766 1065136364 /nfs/dbraw/zinc/13/63/64/1065136364.db2.gz BLNSKMXPNXSKMM-UHFFFAOYSA-N 1 2 364.321 2.733 20 5 FFBDLO Cc1cc(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)c(N)c([N+](=O)[O-])c1 ZINC001558405241 1075998834 /nfs/dbraw/zinc/99/88/34/1075998834.db2.gz NBPKCOPUXLMZQL-UHFFFAOYSA-N 1 2 355.398 2.597 20 5 FFBDLO CCOC(=O)c1ccnc(N2CCC(Nc3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC001559282417 1076145546 /nfs/dbraw/zinc/14/55/46/1076145546.db2.gz RBZPQONLIAYQQB-UHFFFAOYSA-N 1 2 371.397 2.642 20 5 FFBDLO O=[N+]([O-])c1cnccc1NCCc1cn(Cc2ccc(Cl)cc2)c[nH+]1 ZINC001559303813 1076148344 /nfs/dbraw/zinc/14/83/44/1076148344.db2.gz HCXTYDVEGBPGFC-UHFFFAOYSA-N 1 2 357.801 2.965 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2ncccn2)C1 ZINC001560151103 1076236534 /nfs/dbraw/zinc/23/65/34/1076236534.db2.gz WANMGYKWKVOHBY-ZIAGYGMSSA-N 1 2 355.398 2.591 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2ncccn2)C1 ZINC001560151103 1076236538 /nfs/dbraw/zinc/23/65/38/1076236538.db2.gz WANMGYKWKVOHBY-ZIAGYGMSSA-N 1 2 355.398 2.591 20 5 FFBDLO CN(C)c1cccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC001560404163 1076271204 /nfs/dbraw/zinc/27/12/04/1076271204.db2.gz LHUYRMHBTYKSTO-UHFFFAOYSA-N 1 2 352.341 2.947 20 5 FFBDLO CC[C@@H](C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[N@@H+]1CCO[C@H](CC)C1 ZINC001587037909 1079725101 /nfs/dbraw/zinc/72/51/01/1079725101.db2.gz USTHKUJVNCCSJA-OIISXLGYSA-N 1 2 363.458 2.970 20 5 FFBDLO CC[C@@H](C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[N@H+]1CCO[C@H](CC)C1 ZINC001587037909 1079725106 /nfs/dbraw/zinc/72/51/06/1079725106.db2.gz USTHKUJVNCCSJA-OIISXLGYSA-N 1 2 363.458 2.970 20 5 FFBDLO Cc1cc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc[nH+]1 ZINC000102466524 250109256 /nfs/dbraw/zinc/10/92/56/250109256.db2.gz RFXURODIGDAUQY-QGZVFWFLSA-N 1 2 368.393 2.850 20 5 FFBDLO Cc1cc(N2CCC(CCC(N)=O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000271116158 251708175 /nfs/dbraw/zinc/70/81/75/251708175.db2.gz QZOPREMNQCKYQV-UHFFFAOYSA-N 1 2 369.425 2.842 20 5 FFBDLO COc1cc(CN(C)Cc2[nH+]ccn2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272586671 252073861 /nfs/dbraw/zinc/07/38/61/252073861.db2.gz LYLLAQLRVJVWNN-UHFFFAOYSA-N 1 2 370.356 2.613 20 5 FFBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000273129370 252225156 /nfs/dbraw/zinc/22/51/56/252225156.db2.gz PIERDNAKPCBPDA-JTQLQIEISA-N 1 2 354.819 2.742 20 5 FFBDLO Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)C1)CCCC2 ZINC000275584601 256027089 /nfs/dbraw/zinc/02/70/89/256027089.db2.gz JFCNMPTWQCYXRU-AWEZNQCLSA-N 1 2 370.409 2.771 20 5 FFBDLO CCc1cc(N2CC[C@@H](C)[S@@](=O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000277219670 256173543 /nfs/dbraw/zinc/17/35/43/256173543.db2.gz RMXKOWKHVTYVLD-SRGMZFCMSA-N 1 2 374.466 2.962 20 5 FFBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000277436230 256198123 /nfs/dbraw/zinc/19/81/23/256198123.db2.gz FEAINYMVISLFJE-UHFFFAOYSA-N 1 2 360.414 2.671 20 5 FFBDLO CCCc1n[nH]c(C(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)c1[N+](=O)[O-] ZINC000278166880 256283671 /nfs/dbraw/zinc/28/36/71/256283671.db2.gz ACNZJLFAYFEICU-UHFFFAOYSA-N 1 2 373.413 2.657 20 5 FFBDLO CCCc1[nH]nc(C(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)c1[N+](=O)[O-] ZINC000278166880 256283672 /nfs/dbraw/zinc/28/36/72/256283672.db2.gz ACNZJLFAYFEICU-UHFFFAOYSA-N 1 2 373.413 2.657 20 5 FFBDLO CN(Cc1[nH+]ccn1C)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000278535438 256323105 /nfs/dbraw/zinc/32/31/05/256323105.db2.gz BPFYPROLZNXWIL-UHFFFAOYSA-N 1 2 371.319 2.689 20 5 FFBDLO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000279202822 256392602 /nfs/dbraw/zinc/39/26/02/256392602.db2.gz LHQNEGZHEZSLDF-UHFFFAOYSA-N 1 2 373.388 2.631 20 5 FFBDLO C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1c(F)cncc1F ZINC000285862197 257008503 /nfs/dbraw/zinc/00/85/03/257008503.db2.gz XPWRWMAPDUBXRF-JTQLQIEISA-N 1 2 362.336 2.508 20 5 FFBDLO COc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000289460075 257282385 /nfs/dbraw/zinc/28/23/85/257282385.db2.gz GJASVACEZLMJQD-UHFFFAOYSA-N 1 2 367.405 2.750 20 5 FFBDLO COc1ccc2c(c1)C1(CC1)C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000289460075 257282386 /nfs/dbraw/zinc/28/23/86/257282386.db2.gz GJASVACEZLMJQD-UHFFFAOYSA-N 1 2 367.405 2.750 20 5 FFBDLO CCC[C@]1(CO)CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000288897671 257235822 /nfs/dbraw/zinc/23/58/22/257235822.db2.gz SFSLPCBAEKZHEH-INIZCTEOSA-N 1 2 355.822 2.671 20 5 FFBDLO CCC[C@]1(CO)CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000288897671 257235823 /nfs/dbraw/zinc/23/58/23/257235823.db2.gz SFSLPCBAEKZHEH-INIZCTEOSA-N 1 2 355.822 2.671 20 5 FFBDLO COc1cc(Cc2noc(Cc3ccc[nH+]c3C)n2)c([N+](=O)[O-])c(OC)c1 ZINC000289089462 257255834 /nfs/dbraw/zinc/25/58/34/257255834.db2.gz KFLHALWNRYUMNV-UHFFFAOYSA-N 1 2 370.365 2.880 20 5 FFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c2c(c1)COCO2 ZINC000289705756 257294799 /nfs/dbraw/zinc/29/47/99/257294799.db2.gz WKGNBJFIEBZCIH-WMZOPIPTSA-N 1 2 360.410 2.995 20 5 FFBDLO O=[N+]([O-])c1cc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c2c(c1)COCO2 ZINC000289705756 257294800 /nfs/dbraw/zinc/29/48/00/257294800.db2.gz WKGNBJFIEBZCIH-WMZOPIPTSA-N 1 2 360.410 2.995 20 5 FFBDLO Cc1cc(Nc2nccc(C(N)=O)c2[N+](=O)[O-])c[nH+]c1N1CCCC[C@H]1C ZINC000291036581 257375707 /nfs/dbraw/zinc/37/57/07/257375707.db2.gz ZMKQEKGQAMFVKI-GFCCVEGCSA-N 1 2 370.413 2.915 20 5 FFBDLO CC(C)(CCc1noc(-c2ccccc2C[NH+]2CCOCC2)n1)[N+](=O)[O-] ZINC000291079027 257380172 /nfs/dbraw/zinc/38/01/72/257380172.db2.gz NEJBNSLWLDUPLY-UHFFFAOYSA-N 1 2 360.414 2.557 20 5 FFBDLO COc1cc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)c([N+](=O)[O-])cc1F ZINC000294556275 257592860 /nfs/dbraw/zinc/59/28/60/257592860.db2.gz YWABBJUUOUHCPC-UHFFFAOYSA-N 1 2 374.372 2.668 20 5 FFBDLO C[C@H]([C@H](C)Nc1ccc(Br)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000301157682 258030077 /nfs/dbraw/zinc/03/00/77/258030077.db2.gz AQOMVFTVVYECMF-WDEREUQCSA-N 1 2 358.236 2.878 20 5 FFBDLO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299600051 258008827 /nfs/dbraw/zinc/00/88/27/258008827.db2.gz XNWSLKLOXLMYJE-UHFFFAOYSA-N 1 2 355.398 2.912 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccnc3)CC2)c(OC(F)F)c1 ZINC000302063882 258085372 /nfs/dbraw/zinc/08/53/72/258085372.db2.gz VCXNISVTYBOPCC-UHFFFAOYSA-N 1 2 364.352 2.913 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH+]([C@H](C)c3cccnc3)CC2)c1 ZINC000302118477 258089118 /nfs/dbraw/zinc/08/91/18/258089118.db2.gz XBZQACVSZSJLOE-CQSZACIVSA-N 1 2 370.409 2.660 20 5 FFBDLO CC[C@@H](CO)[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cc2Br)CC1 ZINC000302705102 258108259 /nfs/dbraw/zinc/10/82/59/258108259.db2.gz VXPCQVPVOGORME-LBPRGKRZSA-N 1 2 372.263 2.559 20 5 FFBDLO Cc1c(CNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)cccc1[N+](=O)[O-] ZINC000302710635 258108617 /nfs/dbraw/zinc/10/86/17/258108617.db2.gz KNEJVINNOWAELQ-CQSZACIVSA-N 1 2 357.414 2.514 20 5 FFBDLO Cc1c(CNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)cccc1[N+](=O)[O-] ZINC000302710635 258108618 /nfs/dbraw/zinc/10/86/18/258108618.db2.gz KNEJVINNOWAELQ-CQSZACIVSA-N 1 2 357.414 2.514 20 5 FFBDLO COc1cc(F)c([N+](=O)[O-])c(N2CCC[N@H+](Cc3cscn3)CC2)c1 ZINC000301449521 258050302 /nfs/dbraw/zinc/05/03/02/258050302.db2.gz SCKMANRQSAPYMJ-UHFFFAOYSA-N 1 2 366.418 2.911 20 5 FFBDLO COc1cc(F)c([N+](=O)[O-])c(N2CCC[N@@H+](Cc3cscn3)CC2)c1 ZINC000301449521 258050303 /nfs/dbraw/zinc/05/03/03/258050303.db2.gz SCKMANRQSAPYMJ-UHFFFAOYSA-N 1 2 366.418 2.911 20 5 FFBDLO C[NH+](C)[C@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])c1cccs1 ZINC000301891815 258073089 /nfs/dbraw/zinc/07/30/89/258073089.db2.gz MEQZNQSPNSRDTE-GFCCVEGCSA-N 1 2 369.468 2.775 20 5 FFBDLO CCc1cc(N2CC[S@@](=O)CC[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000373024890 512137674 /nfs/dbraw/zinc/13/76/74/512137674.db2.gz DHGFGHJIRWPRNM-NRRJATNASA-N 1 2 374.466 2.962 20 5 FFBDLO Cc1c(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cccc1[N+](=O)[O-] ZINC000032248043 506234925 /nfs/dbraw/zinc/23/49/25/506234925.db2.gz WSCIDTORCSLDJG-QGZVFWFLSA-N 1 2 369.421 2.534 20 5 FFBDLO Cc1c(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cccc1[N+](=O)[O-] ZINC000032248043 506234932 /nfs/dbraw/zinc/23/49/32/506234932.db2.gz WSCIDTORCSLDJG-QGZVFWFLSA-N 1 2 369.421 2.534 20 5 FFBDLO CC(C)[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccccn1 ZINC000052832706 506258981 /nfs/dbraw/zinc/25/89/81/506258981.db2.gz COUNNBROGZGIOG-UHFFFAOYSA-N 1 2 372.381 2.568 20 5 FFBDLO CC(C)[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccccn1 ZINC000052832706 506258984 /nfs/dbraw/zinc/25/89/84/506258984.db2.gz COUNNBROGZGIOG-UHFFFAOYSA-N 1 2 372.381 2.568 20 5 FFBDLO C[C@@H]1[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000377347243 512225823 /nfs/dbraw/zinc/22/58/23/512225823.db2.gz QVJKBELFWPQPOR-DYVFJYSZSA-N 1 2 355.394 2.693 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000043121831 506704040 /nfs/dbraw/zinc/70/40/40/506704040.db2.gz XVQFHDSKWAHMJN-UHFFFAOYSA-N 1 2 355.354 2.615 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(Cc1ccncc1)C1CC1 ZINC000067215565 506796724 /nfs/dbraw/zinc/79/67/24/506796724.db2.gz DDIHCVCBCDWRGF-UHFFFAOYSA-N 1 2 363.377 2.980 20 5 FFBDLO Cc1ccc(C(=O)N2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000055928618 506889892 /nfs/dbraw/zinc/88/98/92/506889892.db2.gz DIOSUDYTEJHIIO-UHFFFAOYSA-N 1 2 359.451 2.965 20 5 FFBDLO NC(=O)c1ccc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000014321533 506985969 /nfs/dbraw/zinc/98/59/69/506985969.db2.gz BOQNYGOAJCEUGF-UHFFFAOYSA-N 1 2 367.405 2.789 20 5 FFBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000056459845 507018278 /nfs/dbraw/zinc/01/82/78/507018278.db2.gz JHMVISJGTQLTGX-UHFFFAOYSA-N 1 2 355.398 2.589 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000015143235 507024028 /nfs/dbraw/zinc/02/40/28/507024028.db2.gz AGTXHFPQGXHTCW-KRWDZBQOSA-N 1 2 372.381 2.988 20 5 FFBDLO C[C@H](C(=O)NCC1CCCCC1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000016564735 507096669 /nfs/dbraw/zinc/09/66/69/507096669.db2.gz HICMNJLLIADYGP-MRXNPFEDSA-N 1 2 374.485 2.802 20 5 FFBDLO Cc1cc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1[N+](=O)[O-] ZINC000018044957 507132949 /nfs/dbraw/zinc/13/29/49/507132949.db2.gz DUACOBHYIMAGRL-SFHVURJKSA-N 1 2 369.421 2.534 20 5 FFBDLO Cc1cc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1[N+](=O)[O-] ZINC000018044957 507132955 /nfs/dbraw/zinc/13/29/55/507132955.db2.gz DUACOBHYIMAGRL-SFHVURJKSA-N 1 2 369.421 2.534 20 5 FFBDLO O=C(NCC[NH+]1Cc2ccccc2C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000068244840 507159218 /nfs/dbraw/zinc/15/92/18/507159218.db2.gz WAWHCXWDAABWKC-UHFFFAOYSA-N 1 2 366.421 2.915 20 5 FFBDLO COc1cc(OCC(=O)Nc2ccccc2-n2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000068853802 507342326 /nfs/dbraw/zinc/34/23/26/507342326.db2.gz NTQDUDWBSUNFMJ-UHFFFAOYSA-N 1 2 368.349 2.807 20 5 FFBDLO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047743414 507388176 /nfs/dbraw/zinc/38/81/76/507388176.db2.gz VYOQGKKHSVOVQK-MDZRGWNJSA-N 1 2 374.485 2.800 20 5 FFBDLO CC(=O)c1csc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000070815406 507643710 /nfs/dbraw/zinc/64/37/10/507643710.db2.gz GLSPNHHVAKTNJA-UHFFFAOYSA-N 1 2 357.351 2.692 20 5 FFBDLO CN(Cc1[nH+]ccn1C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050553239 507693418 /nfs/dbraw/zinc/69/34/18/507693418.db2.gz JGEKGOGJNOHWIB-UHFFFAOYSA-N 1 2 357.395 2.724 20 5 FFBDLO CC(C)OC[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000373488840 512357109 /nfs/dbraw/zinc/35/71/09/512357109.db2.gz GKLVLQYMVOFRQK-GOSISDBHSA-N 1 2 374.441 2.621 20 5 FFBDLO CC(C)OC[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000373488840 512357113 /nfs/dbraw/zinc/35/71/13/512357113.db2.gz GKLVLQYMVOFRQK-GOSISDBHSA-N 1 2 374.441 2.621 20 5 FFBDLO CC[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000030910305 507814758 /nfs/dbraw/zinc/81/47/58/507814758.db2.gz XJZNPVWIGDNSKO-IRXDYDNUSA-N 1 2 374.485 2.896 20 5 FFBDLO CCCCc1noc([C@@H](C)[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000072665198 507840310 /nfs/dbraw/zinc/84/03/10/507840310.db2.gz IZXUBFNCUUKXJW-OLZOCXBDSA-N 1 2 360.418 2.963 20 5 FFBDLO CCCCc1noc([C@@H](C)[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000072665198 507840312 /nfs/dbraw/zinc/84/03/12/507840312.db2.gz IZXUBFNCUUKXJW-OLZOCXBDSA-N 1 2 360.418 2.963 20 5 FFBDLO O=C(C[NH+]1CCC(Nc2ccc([N+](=O)[O-])nc2)CC1)Nc1ccccc1 ZINC000078744365 507903724 /nfs/dbraw/zinc/90/37/24/507903724.db2.gz KLHVADZCERWWCA-UHFFFAOYSA-N 1 2 355.398 2.505 20 5 FFBDLO O=[N+]([O-])c1ccccc1C[N@H+](CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000109790933 507987103 /nfs/dbraw/zinc/98/71/03/507987103.db2.gz VALIJWMHADMUQT-UHFFFAOYSA-N 1 2 366.421 2.834 20 5 FFBDLO O=[N+]([O-])c1ccccc1C[N@@H+](CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000109790933 507987107 /nfs/dbraw/zinc/98/71/07/507987107.db2.gz VALIJWMHADMUQT-UHFFFAOYSA-N 1 2 366.421 2.834 20 5 FFBDLO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075551447 508116080 /nfs/dbraw/zinc/11/60/80/508116080.db2.gz DQEKLXILTWZWKQ-ZDUSSCGKSA-N 1 2 366.381 2.523 20 5 FFBDLO COCC[N@H+](CC(=O)OC)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000093416236 508144897 /nfs/dbraw/zinc/14/48/97/508144897.db2.gz JXRWBUKUZMOEGG-UHFFFAOYSA-N 1 2 364.423 2.945 20 5 FFBDLO COCC[N@@H+](CC(=O)OC)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000093416236 508144899 /nfs/dbraw/zinc/14/48/99/508144899.db2.gz JXRWBUKUZMOEGG-UHFFFAOYSA-N 1 2 364.423 2.945 20 5 FFBDLO O=C(NCc1ccnc(-n2cc[nH+]c2)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000112114450 508151790 /nfs/dbraw/zinc/15/17/90/508151790.db2.gz KDNZWUBWODMILA-UHFFFAOYSA-N 1 2 357.757 2.759 20 5 FFBDLO C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000112654819 508206063 /nfs/dbraw/zinc/20/60/63/508206063.db2.gz PTXOLFCSOBFJIT-WFASDCNBSA-N 1 2 373.388 2.642 20 5 FFBDLO C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000112654819 508206066 /nfs/dbraw/zinc/20/60/66/508206066.db2.gz PTXOLFCSOBFJIT-WFASDCNBSA-N 1 2 373.388 2.642 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000096634354 508215359 /nfs/dbraw/zinc/21/53/59/508215359.db2.gz YEAOTPQDWJAUPA-UHFFFAOYSA-N 1 2 355.394 2.561 20 5 FFBDLO Cn1cc[nH+]c1-c1cccc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c1 ZINC000102234454 508270282 /nfs/dbraw/zinc/27/02/82/508270282.db2.gz GOBHZNNDSZHJKX-UHFFFAOYSA-N 1 2 354.370 2.566 20 5 FFBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000114704993 508339695 /nfs/dbraw/zinc/33/96/95/508339695.db2.gz IKGOYPMWOYDSHB-CYBMUJFWSA-N 1 2 358.373 2.648 20 5 FFBDLO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000087486022 508353575 /nfs/dbraw/zinc/35/35/75/508353575.db2.gz YSJOUVKLMXGDHS-UHFFFAOYSA-N 1 2 369.421 2.577 20 5 FFBDLO Cc1cccn2cc(CC(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)[nH+]c12 ZINC000088251909 508361440 /nfs/dbraw/zinc/36/14/40/508361440.db2.gz WOJGPYDASMPPSE-UHFFFAOYSA-N 1 2 350.378 2.678 20 5 FFBDLO O=C(NC1CC1)[C@H](c1ccccc1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607411 508378657 /nfs/dbraw/zinc/37/86/57/508378657.db2.gz IPWVULWTMUUBIZ-IBGZPJMESA-N 1 2 351.406 2.973 20 5 FFBDLO O=C(NC1CC1)[C@H](c1ccccc1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607411 508378660 /nfs/dbraw/zinc/37/86/60/508378660.db2.gz IPWVULWTMUUBIZ-IBGZPJMESA-N 1 2 351.406 2.973 20 5 FFBDLO CCN(CC)c1ccc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000127335076 508433628 /nfs/dbraw/zinc/43/36/28/508433628.db2.gz VXAGGGNDARYKAP-UHFFFAOYSA-N 1 2 357.414 2.835 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000135586126 508627469 /nfs/dbraw/zinc/62/74/69/508627469.db2.gz VPVJQGICFFKMMD-MRXNPFEDSA-N 1 2 357.414 2.585 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000135586126 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O=C(C[N@@H+]1CCCc2ccccc2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000171594428 510243027 /nfs/dbraw/zinc/24/30/27/510243027.db2.gz OVZRUGHQWQABQD-UHFFFAOYSA-N 1 2 369.377 2.710 20 5 FFBDLO O=C(C[N@H+]1CCCc2ccccc2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000171594428 510243036 /nfs/dbraw/zinc/24/30/36/510243036.db2.gz OVZRUGHQWQABQD-UHFFFAOYSA-N 1 2 369.377 2.710 20 5 FFBDLO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CC1 ZINC000187453572 510273785 /nfs/dbraw/zinc/27/37/85/510273785.db2.gz YMRTZFUZUQJGIU-SFHVURJKSA-N 1 2 369.421 2.941 20 5 FFBDLO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CC1 ZINC000187453572 510273790 /nfs/dbraw/zinc/27/37/90/510273790.db2.gz YMRTZFUZUQJGIU-SFHVURJKSA-N 1 2 369.421 2.941 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000194315049 510308612 /nfs/dbraw/zinc/30/86/12/510308612.db2.gz AFQOXXGSIQFPHK-KRWDZBQOSA-N 1 2 355.394 2.667 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000194315049 510308620 /nfs/dbraw/zinc/30/86/20/510308620.db2.gz AFQOXXGSIQFPHK-KRWDZBQOSA-N 1 2 355.394 2.667 20 5 FFBDLO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000181267483 510328702 /nfs/dbraw/zinc/32/87/02/510328702.db2.gz NQXBBRZOACVFHG-UHFFFAOYSA-N 1 2 360.801 2.601 20 5 FFBDLO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccco1 ZINC000184623878 510424065 /nfs/dbraw/zinc/42/40/65/510424065.db2.gz ASJYZIBSHIIMOW-FZMZJTMJSA-N 1 2 363.370 2.501 20 5 FFBDLO COc1ccccc1C[NH+]1CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000194574183 510429907 /nfs/dbraw/zinc/42/99/07/510429907.db2.gz DBAHUTYEIYBQSM-UHFFFAOYSA-N 1 2 369.421 2.870 20 5 FFBDLO CCc1nc([C@@H](C)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cs1 ZINC000184688335 510464497 /nfs/dbraw/zinc/46/44/97/510464497.db2.gz KCFIZXPBGIPHKS-LLVKDONJSA-N 1 2 360.439 2.854 20 5 FFBDLO CCc1ccc([C@H](COC)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)o1 ZINC000184796258 510519374 /nfs/dbraw/zinc/51/93/74/510519374.db2.gz RMRHOGDHURQQBP-INIZCTEOSA-N 1 2 373.409 2.617 20 5 FFBDLO Cc1c(C[NH2+][C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)cccc1[N+](=O)[O-] ZINC000184867307 510556353 /nfs/dbraw/zinc/55/63/53/510556353.db2.gz FYPUVIJDNOXFEI-ZDUSSCGKSA-N 1 2 357.374 2.558 20 5 FFBDLO Cc1ccc([C@@H](C)[NH2+]Cc2csc(CC(=O)N(C)C)n2)cc1[N+](=O)[O-] ZINC000181827765 510615012 /nfs/dbraw/zinc/61/50/12/510615012.db2.gz FTPHGFGZMKPZDP-GFCCVEGCSA-N 1 2 362.455 2.841 20 5 FFBDLO COCc1noc([C@H](C)[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000181929748 510664671 /nfs/dbraw/zinc/66/46/71/510664671.db2.gz PXNCFAYDORQUAG-LBPRGKRZSA-N 1 2 362.386 2.729 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000185173323 510728568 /nfs/dbraw/zinc/72/85/68/510728568.db2.gz LEZOKDLUTBDNMK-NSHDSACASA-N 1 2 361.402 2.873 20 5 FFBDLO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1nnc2ccccn21 ZINC000172611146 510820345 /nfs/dbraw/zinc/82/03/45/510820345.db2.gz AJBSNNNKSSBHDV-SNVBAGLBSA-N 1 2 374.788 2.580 20 5 FFBDLO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1nc(Cc2ccccc2)no1 ZINC000185417338 510839648 /nfs/dbraw/zinc/83/96/48/510839648.db2.gz LWTJZJKQLIJICT-DYVFJYSZSA-N 1 2 368.393 2.953 20 5 FFBDLO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285361365 510875779 /nfs/dbraw/zinc/87/57/79/510875779.db2.gz AIIGKNXHSJXUOQ-GFCCVEGCSA-N 1 2 353.369 2.611 20 5 FFBDLO O=C(NCC1CC1)[C@@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285361365 510875785 /nfs/dbraw/zinc/87/57/85/510875785.db2.gz AIIGKNXHSJXUOQ-GFCCVEGCSA-N 1 2 353.369 2.611 20 5 FFBDLO CC(C)[C@@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)c1nncn1C ZINC000285426996 510902889 /nfs/dbraw/zinc/90/28/89/510902889.db2.gz QRXFYIDWGIZAPI-CYBMUJFWSA-N 1 2 368.235 2.973 20 5 FFBDLO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1c(F)cncc1F ZINC000285526740 510942384 /nfs/dbraw/zinc/94/23/84/510942384.db2.gz PNGYIYHOVZZYLN-VIFPVBQESA-N 1 2 351.309 2.985 20 5 FFBDLO Cn1c2c([nH+]c1[C@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1N)CCCC2 ZINC000279297713 511036321 /nfs/dbraw/zinc/03/63/21/511036321.db2.gz ZKIUPEAZYFASLB-MRXNPFEDSA-N 1 2 369.425 2.767 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000282594161 511037889 /nfs/dbraw/zinc/03/78/89/511037889.db2.gz FHTJKCKKFRWGEY-UHFFFAOYSA-N 1 2 370.409 2.919 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000298210422 511210123 /nfs/dbraw/zinc/21/01/23/511210123.db2.gz DKTVKVFNGRPVAT-JMPLFQLZSA-N 1 2 369.368 2.908 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000298210422 511210129 /nfs/dbraw/zinc/21/01/29/511210129.db2.gz DKTVKVFNGRPVAT-JMPLFQLZSA-N 1 2 369.368 2.908 20 5 FFBDLO CC(C)c1[nH]nc(C(=O)Nc2ccc3[nH]c(N(C)C)[nH+]c3c2)c1[N+](=O)[O-] ZINC000283048448 511213797 /nfs/dbraw/zinc/21/37/97/511213797.db2.gz PWMFJSPXOVXNFY-UHFFFAOYSA-N 1 2 357.374 2.636 20 5 FFBDLO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCc3c[nH+]cn3C)cc2[N+](=O)[O-])C1 ZINC000291488685 511217338 /nfs/dbraw/zinc/21/73/38/511217338.db2.gz QVRBKWUCNYIACP-KBPBESRZSA-N 1 2 371.441 2.741 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000294974754 511240615 /nfs/dbraw/zinc/24/06/15/511240615.db2.gz TWXJZTHEAQNYGB-PKOBYXMFSA-N 1 2 368.393 2.564 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291654745 511283285 /nfs/dbraw/zinc/28/32/85/511283285.db2.gz FNDYIGMSLRDMRB-YPMHNXCESA-N 1 2 363.805 2.719 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@H](n2cccn2)C1 ZINC000291654745 511283290 /nfs/dbraw/zinc/28/32/90/511283290.db2.gz FNDYIGMSLRDMRB-YPMHNXCESA-N 1 2 363.805 2.719 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000291764766 511329259 /nfs/dbraw/zinc/32/92/59/511329259.db2.gz LJWCVVQVSXQPSM-WCQYABFASA-N 1 2 363.805 2.719 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000291764766 511329263 /nfs/dbraw/zinc/32/92/63/511329263.db2.gz LJWCVVQVSXQPSM-WCQYABFASA-N 1 2 363.805 2.719 20 5 FFBDLO Cc1cc(N2C[C@H](C)O[C@]3(CCOC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000280119431 511341560 /nfs/dbraw/zinc/34/15/60/511341560.db2.gz CLPNKTIOJDIVRR-IFXJQAMLSA-N 1 2 370.409 2.744 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000280267128 511399795 /nfs/dbraw/zinc/39/97/95/511399795.db2.gz CUQWAJLFTUYSIV-KBXCAEBGSA-N 1 2 350.415 2.762 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000280267128 511399800 /nfs/dbraw/zinc/39/98/00/511399800.db2.gz CUQWAJLFTUYSIV-KBXCAEBGSA-N 1 2 350.415 2.762 20 5 FFBDLO O=C(C[NH+]1CCC(n2cccn2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000363187086 511406154 /nfs/dbraw/zinc/40/61/54/511406154.db2.gz FAECLFIDTMDIMU-UHFFFAOYSA-N 1 2 363.805 2.720 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000363196421 511411607 /nfs/dbraw/zinc/41/16/07/511411607.db2.gz PYLLACDELHYSCE-OAHLLOKOSA-N 1 2 370.409 2.728 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000363196421 511411609 /nfs/dbraw/zinc/41/16/09/511411609.db2.gz PYLLACDELHYSCE-OAHLLOKOSA-N 1 2 370.409 2.728 20 5 FFBDLO C[C@H](c1cn(-c2ccccc2)nn1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365513032 511497671 /nfs/dbraw/zinc/49/76/71/511497671.db2.gz NLHHILXXMNOVHF-CQSZACIVSA-N 1 2 367.413 2.770 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000280625245 511538400 /nfs/dbraw/zinc/53/84/00/511538400.db2.gz WYBZSGXKNINCDL-KDOFPFPSSA-N 1 2 350.415 2.762 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000280625245 511538408 /nfs/dbraw/zinc/53/84/08/511538408.db2.gz WYBZSGXKNINCDL-KDOFPFPSSA-N 1 2 350.415 2.762 20 5 FFBDLO CCn1nc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c2ccccc21 ZINC000296074950 511610991 /nfs/dbraw/zinc/61/09/91/511610991.db2.gz RKHXRAASYRRFOK-UHFFFAOYSA-N 1 2 366.425 2.682 20 5 FFBDLO CC(C)[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1[nH]cc[nH+]1 ZINC000296112916 511623947 /nfs/dbraw/zinc/62/39/47/511623947.db2.gz RKNCILSEAQHLCP-LBPRGKRZSA-N 1 2 358.807 2.647 20 5 FFBDLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280847547 511627013 /nfs/dbraw/zinc/62/70/13/511627013.db2.gz AAONBYFJEAIYBR-CJNGLKHVSA-N 1 2 355.394 2.551 20 5 FFBDLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280847547 511627018 /nfs/dbraw/zinc/62/70/18/511627018.db2.gz AAONBYFJEAIYBR-CJNGLKHVSA-N 1 2 355.394 2.551 20 5 FFBDLO CCOC1CC(CNc2cc(C)c([N+](=O)[O-])cc2F)([NH+]2CCOCC2)C1 ZINC000292629734 511665574 /nfs/dbraw/zinc/66/55/74/511665574.db2.gz NZCAJQCGNYXWBG-UHFFFAOYSA-N 1 2 367.421 2.724 20 5 FFBDLO C[S@@](=O)C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000284280358 511666667 /nfs/dbraw/zinc/66/66/67/511666667.db2.gz XXTOBWJHWPGWLX-ODCWNRFASA-N 1 2 363.395 2.712 20 5 FFBDLO Cc1csc(C2([NH2+]CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)CCC2)n1 ZINC000273955543 511669426 /nfs/dbraw/zinc/66/94/26/511669426.db2.gz FWLZLKKFYAEOMC-UHFFFAOYSA-N 1 2 360.439 2.992 20 5 FFBDLO CCN(C(=O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CCCCC1 ZINC000302760355 511713485 /nfs/dbraw/zinc/71/34/85/511713485.db2.gz VIEIJMFFIUSGTE-UHFFFAOYSA-N 1 2 374.485 2.898 20 5 FFBDLO CCn1cc[nH+]c1[C@H]1CCCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000281107014 511721910 /nfs/dbraw/zinc/72/19/10/511721910.db2.gz WKPINMXBXXEDKK-OAHLLOKOSA-N 1 2 357.414 2.637 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1C(F)(F)F ZINC000366364077 511978826 /nfs/dbraw/zinc/97/88/26/511978826.db2.gz AFXYDALLXAGIJW-GWCFXTLKSA-N 1 2 370.331 2.655 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1C(F)(F)F ZINC000366364077 511978830 /nfs/dbraw/zinc/97/88/30/511978830.db2.gz AFXYDALLXAGIJW-GWCFXTLKSA-N 1 2 370.331 2.655 20 5 FFBDLO C[N@@H+]1CC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000297089828 512016217 /nfs/dbraw/zinc/01/62/17/512016217.db2.gz KMFIMGJYAIGTGR-HOCLYGCPSA-N 1 2 355.385 2.662 20 5 FFBDLO C[N@H+]1CC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000297089828 512016219 /nfs/dbraw/zinc/01/62/19/512016219.db2.gz KMFIMGJYAIGTGR-HOCLYGCPSA-N 1 2 355.385 2.662 20 5 FFBDLO CCn1cc[nH+]c1[C@H]1CCCCN1c1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000281940981 512019572 /nfs/dbraw/zinc/01/95/72/512019572.db2.gz IUSDNVGOCXNVOO-OAHLLOKOSA-N 1 2 357.414 2.902 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000374071766 512648082 /nfs/dbraw/zinc/64/80/82/512648082.db2.gz JRVKYFIUAAXEFX-UHFFFAOYSA-N 1 2 373.413 2.891 20 5 FFBDLO Cc1cc(C)c(NC(=O)C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000411509946 512668365 /nfs/dbraw/zinc/66/83/65/512668365.db2.gz MSIZXVGBMSLUQU-UHFFFAOYSA-N 1 2 370.409 2.555 20 5 FFBDLO COC(=O)c1cc(NCc2ccnc(-n3cc[nH+]c3)c2)cc(C)c1[N+](=O)[O-] ZINC000368109779 512806564 /nfs/dbraw/zinc/80/65/64/512806564.db2.gz PYVKNZBZRWRPTP-UHFFFAOYSA-N 1 2 367.365 2.883 20 5 FFBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](Oc3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000376559510 512873671 /nfs/dbraw/zinc/87/36/71/512873671.db2.gz WNVPWLPUKDIDCY-GDBMZVCRSA-N 1 2 370.409 2.779 20 5 FFBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](Oc3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000376559510 512873676 /nfs/dbraw/zinc/87/36/76/512873676.db2.gz WNVPWLPUKDIDCY-GDBMZVCRSA-N 1 2 370.409 2.779 20 5 FFBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3ccncn3)C2)cccc1[N+](=O)[O-] ZINC000372584249 512954848 /nfs/dbraw/zinc/95/48/48/512954848.db2.gz OANYNUFAXNMLKP-GJZGRUSLSA-N 1 2 369.425 2.900 20 5 FFBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3ccncn3)C2)cccc1[N+](=O)[O-] ZINC000372584249 512954851 /nfs/dbraw/zinc/95/48/51/512954851.db2.gz OANYNUFAXNMLKP-GJZGRUSLSA-N 1 2 369.425 2.900 20 5 FFBDLO CC(C)Oc1cc(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)ccc1[N+](=O)[O-] ZINC000412336795 513043603 /nfs/dbraw/zinc/04/36/03/513043603.db2.gz PJKMFSPZQMOENY-MRXNPFEDSA-N 1 2 358.398 2.997 20 5 FFBDLO COC[C@H]1CCCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000368770210 513095979 /nfs/dbraw/zinc/09/59/79/513095979.db2.gz MZWMEEDZLOHGTP-AWEZNQCLSA-N 1 2 358.398 2.669 20 5 FFBDLO CN(Cc1cn2c([nH+]1)CCCC2)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000428690038 513164966 /nfs/dbraw/zinc/16/49/66/513164966.db2.gz KCZLGTOYTPRPSF-UHFFFAOYSA-N 1 2 354.370 2.814 20 5 FFBDLO CC(C)[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCO1 ZINC000450395454 513175653 /nfs/dbraw/zinc/17/56/53/513175653.db2.gz ZPURJTARBRHPNE-RHSMWYFYSA-N 1 2 358.398 2.714 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000446088705 513182334 /nfs/dbraw/zinc/18/23/34/513182334.db2.gz BQNQKIKBSGUIGG-UHFFFAOYSA-N 1 2 356.304 2.934 20 5 FFBDLO CC[C@@H](C)n1[nH]c(=NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)cc1C ZINC000450415735 513184723 /nfs/dbraw/zinc/18/47/23/513184723.db2.gz DNGIJPZRPNYTRV-GFCCVEGCSA-N 1 2 368.397 2.931 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@H]1C1CCOCC1 ZINC000450436737 513195786 /nfs/dbraw/zinc/19/57/86/513195786.db2.gz IDAAQPSSCRTICM-INIZCTEOSA-N 1 2 370.409 2.812 20 5 FFBDLO CCCc1n[nH]c(C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000412690453 513225648 /nfs/dbraw/zinc/22/56/48/513225648.db2.gz ANUNOPMCACNGJF-AWEZNQCLSA-N 1 2 371.441 2.617 20 5 FFBDLO CCCc1n[nH]c(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000412690453 513225652 /nfs/dbraw/zinc/22/56/52/513225652.db2.gz ANUNOPMCACNGJF-AWEZNQCLSA-N 1 2 371.441 2.617 20 5 FFBDLO CCCc1[nH]nc(C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000412690453 513225655 /nfs/dbraw/zinc/22/56/55/513225655.db2.gz ANUNOPMCACNGJF-AWEZNQCLSA-N 1 2 371.441 2.617 20 5 FFBDLO CCCc1[nH]nc(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000412690453 513225660 /nfs/dbraw/zinc/22/56/60/513225660.db2.gz ANUNOPMCACNGJF-AWEZNQCLSA-N 1 2 371.441 2.617 20 5 FFBDLO O=C(NCCC[C@H]1CCCCO1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450620026 513275480 /nfs/dbraw/zinc/27/54/80/513275480.db2.gz YCAFLWAREFMCEN-OAHLLOKOSA-N 1 2 358.398 2.860 20 5 FFBDLO C[C@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1[N+](=O)[O-] ZINC000434362265 513300124 /nfs/dbraw/zinc/30/01/24/513300124.db2.gz BYKHMOSCBFSCBI-DZGCQCFKSA-N 1 2 356.382 2.914 20 5 FFBDLO CCO[C@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@H]1C ZINC000450745654 513323329 /nfs/dbraw/zinc/32/33/29/513323329.db2.gz POMBGWTVKNMJLX-BEFAXECRSA-N 1 2 363.458 2.678 20 5 FFBDLO CC(C)c1ncc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000440476958 513328942 /nfs/dbraw/zinc/32/89/42/513328942.db2.gz HUINEBCZDQWHQO-CYBMUJFWSA-N 1 2 357.414 2.967 20 5 FFBDLO CC(C)c1ncc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000440476958 513328949 /nfs/dbraw/zinc/32/89/49/513328949.db2.gz HUINEBCZDQWHQO-CYBMUJFWSA-N 1 2 357.414 2.967 20 5 FFBDLO C[C@@H]1C[N@H+](CCSc2nc3cc4ccccc4cc3c(=O)n2C)CCO1 ZINC000412994304 513383773 /nfs/dbraw/zinc/38/37/73/513383773.db2.gz ZSBJNUBVWUODIK-CQSZACIVSA-N 1 2 369.490 2.900 20 5 FFBDLO C[C@@H]1C[N@@H+](CCSc2nc3cc4ccccc4cc3c(=O)n2C)CCO1 ZINC000412994304 513383781 /nfs/dbraw/zinc/38/37/81/513383781.db2.gz ZSBJNUBVWUODIK-CQSZACIVSA-N 1 2 369.490 2.900 20 5 FFBDLO Cc1cc(C[NH+]2CCN(c3nccc4ccc([N+](=O)[O-])cc43)CC2)no1 ZINC000413031539 513395622 /nfs/dbraw/zinc/39/56/22/513395622.db2.gz JBFQBOGFTQTVIP-UHFFFAOYSA-N 1 2 353.382 2.762 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)Cc1cn2c([nH+]1)CCCC2 ZINC000429549606 513405440 /nfs/dbraw/zinc/40/54/40/513405440.db2.gz PFSWUWPQUFYNSU-UHFFFAOYSA-N 1 2 357.414 2.507 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCc2cccc(C)c2C1 ZINC000429570525 513413451 /nfs/dbraw/zinc/41/34/51/513413451.db2.gz VETKVWQKSURXOD-UHFFFAOYSA-N 1 2 355.394 2.909 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCc2cccc(C)c2C1 ZINC000429570525 513413456 /nfs/dbraw/zinc/41/34/56/513413456.db2.gz VETKVWQKSURXOD-UHFFFAOYSA-N 1 2 355.394 2.909 20 5 FFBDLO Cc1noc([C@H](C)[NH+]2CCN(c3ccc([N+](=O)[O-])c4ncccc34)CC2)n1 ZINC000413133496 513470325 /nfs/dbraw/zinc/47/03/25/513470325.db2.gz PLOWHKKRYHNBDS-LBPRGKRZSA-N 1 2 368.397 2.718 20 5 FFBDLO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cccc21 ZINC000447723945 513552361 /nfs/dbraw/zinc/55/23/61/513552361.db2.gz SEHDRCBVUARDMD-CQSZACIVSA-N 1 2 357.366 2.938 20 5 FFBDLO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000447815981 513580083 /nfs/dbraw/zinc/58/00/83/513580083.db2.gz IIYAIHUSTBDNDT-MNOVXSKESA-N 1 2 371.821 2.556 20 5 FFBDLO C[N@@H+]1CCCC(C)(C)[C@@H]1CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000447819246 513581323 /nfs/dbraw/zinc/58/13/23/513581323.db2.gz YHRSWDXMYKOXGR-HNNXBMFYSA-N 1 2 355.460 2.531 20 5 FFBDLO C[N@H+]1CCCC(C)(C)[C@@H]1CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000447819246 513581333 /nfs/dbraw/zinc/58/13/33/513581333.db2.gz YHRSWDXMYKOXGR-HNNXBMFYSA-N 1 2 355.460 2.531 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000430206204 513588417 /nfs/dbraw/zinc/58/84/17/513588417.db2.gz KGDKULAUPCLVAP-UHFFFAOYSA-N 1 2 361.442 2.970 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000430206204 513588426 /nfs/dbraw/zinc/58/84/26/513588426.db2.gz KGDKULAUPCLVAP-UHFFFAOYSA-N 1 2 361.442 2.970 20 5 FFBDLO COc1cccc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3OC)CC2)c1 ZINC000430215771 513589344 /nfs/dbraw/zinc/58/93/44/513589344.db2.gz HGUUMLPQMZSEBE-UHFFFAOYSA-N 1 2 357.410 2.934 20 5 FFBDLO O=[N+]([O-])c1cccnc1N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000413333531 513598063 /nfs/dbraw/zinc/59/80/63/513598063.db2.gz MYZQIASPJYDREL-UHFFFAOYSA-N 1 2 353.304 2.730 20 5 FFBDLO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3ncnn3CC(F)F)C2)cc1 ZINC000451548771 513826620 /nfs/dbraw/zinc/82/66/20/513826620.db2.gz OJSMYQUHAGQTCX-CYBMUJFWSA-N 1 2 351.357 2.831 20 5 FFBDLO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3ncnn3CC(F)F)C2)cc1 ZINC000451548771 513826629 /nfs/dbraw/zinc/82/66/29/513826629.db2.gz OJSMYQUHAGQTCX-CYBMUJFWSA-N 1 2 351.357 2.831 20 5 FFBDLO COc1ccc2c(c1)C[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])CCO2 ZINC000451640187 513880312 /nfs/dbraw/zinc/88/03/12/513880312.db2.gz COPWWZIZWCROMN-UHFFFAOYSA-N 1 2 374.393 2.885 20 5 FFBDLO COc1ccc2c(c1)C[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])CCO2 ZINC000451640187 513880318 /nfs/dbraw/zinc/88/03/18/513880318.db2.gz COPWWZIZWCROMN-UHFFFAOYSA-N 1 2 374.393 2.885 20 5 FFBDLO CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1[nH]cc[nH+]1 ZINC000443131736 513881183 /nfs/dbraw/zinc/88/11/83/513881183.db2.gz PAAGQFBZHFGERI-NSHDSACASA-N 1 2 353.176 2.962 20 5 FFBDLO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436737794 513962007 /nfs/dbraw/zinc/96/20/07/513962007.db2.gz KJNILRGRZGQDKY-UHFFFAOYSA-N 1 2 355.394 2.826 20 5 FFBDLO Cc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)cc(N2CCCC2)[nH+]1 ZINC000436930790 514038755 /nfs/dbraw/zinc/03/87/55/514038755.db2.gz IKSQUTKELUXFMT-UHFFFAOYSA-N 1 2 356.382 2.534 20 5 FFBDLO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436935926 514042084 /nfs/dbraw/zinc/04/20/84/514042084.db2.gz FARJLMJWYITNLU-GUYCJALGSA-N 1 2 355.394 2.551 20 5 FFBDLO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436935926 514042092 /nfs/dbraw/zinc/04/20/92/514042092.db2.gz FARJLMJWYITNLU-GUYCJALGSA-N 1 2 355.394 2.551 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@]3(CCSC3)C2)cc1 ZINC000451979509 514107692 /nfs/dbraw/zinc/10/76/92/514107692.db2.gz QCMNSRDDYXUHSI-INIZCTEOSA-N 1 2 370.496 2.588 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@]3(CCSC3)C2)cc1 ZINC000451979509 514107695 /nfs/dbraw/zinc/10/76/95/514107695.db2.gz QCMNSRDDYXUHSI-INIZCTEOSA-N 1 2 370.496 2.588 20 5 FFBDLO COc1cc(CCNc2cc[nH+]c3ccncc23)c([N+](=O)[O-])cc1OC ZINC000444110722 514126596 /nfs/dbraw/zinc/12/65/96/514126596.db2.gz KWLWCAKTZPOBLX-UHFFFAOYSA-N 1 2 354.366 2.632 20 5 FFBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cc3cccnc3o2)CC1 ZINC000449343174 514175444 /nfs/dbraw/zinc/17/54/44/514175444.db2.gz IISCIFKVSGCICQ-UHFFFAOYSA-N 1 2 366.377 2.694 20 5 FFBDLO CC[C@@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@H](CC)O1 ZINC000420639249 514211407 /nfs/dbraw/zinc/21/14/07/514211407.db2.gz XUXQINGFISZLDE-CALCHBBNSA-N 1 2 363.458 2.821 20 5 FFBDLO C[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1(F)F ZINC000427538838 514244649 /nfs/dbraw/zinc/24/46/49/514244649.db2.gz YXZSLMKSTWVHIZ-NSHDSACASA-N 1 2 350.325 2.898 20 5 FFBDLO CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1[nH+]ccn1CC(F)(F)F ZINC000444626722 514276100 /nfs/dbraw/zinc/27/61/00/514276100.db2.gz VFJZUHKRBHRYFC-UHFFFAOYSA-N 1 2 368.319 2.862 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000427686101 514287087 /nfs/dbraw/zinc/28/70/87/514287087.db2.gz PPVHQLSAEYVEEU-UHFFFAOYSA-N 1 2 352.350 2.924 20 5 FFBDLO CCOc1cc(C(=O)Nc2c[nH+]c3n2CCCC3)c([N+](=O)[O-])cc1OC ZINC000452336785 514291335 /nfs/dbraw/zinc/29/13/35/514291335.db2.gz WNLGAWYFCFAYEX-UHFFFAOYSA-N 1 2 360.370 2.787 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCCC[C@H]1c1ncon1 ZINC000449952643 514438646 /nfs/dbraw/zinc/43/86/46/514438646.db2.gz VZUFCNUUAMKZDC-AWEZNQCLSA-N 1 2 368.353 2.531 20 5 FFBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445221666 514446091 /nfs/dbraw/zinc/44/60/91/514446091.db2.gz XPQHBQIUURPCRN-CYBMUJFWSA-N 1 2 358.401 2.623 20 5 FFBDLO [NH3+]C1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC[NH+](Cc2ccccc2)CC1 ZINC000415133804 514460292 /nfs/dbraw/zinc/46/02/92/514460292.db2.gz NQXMYVMFVHNSMO-UHFFFAOYSA-N 1 2 354.454 2.678 20 5 FFBDLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452871118 514527955 /nfs/dbraw/zinc/52/79/55/514527955.db2.gz ZZTMGTOPEWCNHB-HZPDHXFCSA-N 1 2 354.410 2.760 20 5 FFBDLO Cc1cn2cc(NS(=O)(=O)c3c(C)ccc(C)c3[N+](=O)[O-])ccc2[nH+]1 ZINC000479597336 514650281 /nfs/dbraw/zinc/65/02/81/514650281.db2.gz ADTSCDFVBHYPNB-UHFFFAOYSA-N 1 2 360.395 2.969 20 5 FFBDLO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000470942015 514684846 /nfs/dbraw/zinc/68/48/46/514684846.db2.gz AIYBFWVJSYFEOT-GXFFZTMASA-N 1 2 366.361 2.641 20 5 FFBDLO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000470942015 514684852 /nfs/dbraw/zinc/68/48/52/514684852.db2.gz AIYBFWVJSYFEOT-GXFFZTMASA-N 1 2 366.361 2.641 20 5 FFBDLO Cc1cc(NCCN(C)CC(F)(F)F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000484573182 514697105 /nfs/dbraw/zinc/69/71/05/514697105.db2.gz QDFOCVCAVGHFOU-UHFFFAOYSA-N 1 2 369.347 2.688 20 5 FFBDLO O=C1[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]2CCCCN12 ZINC000453615543 514728209 /nfs/dbraw/zinc/72/82/09/514728209.db2.gz FUXDGXLTKRHPHV-GDBMZVCRSA-N 1 2 372.450 2.961 20 5 FFBDLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498152671 514782014 /nfs/dbraw/zinc/78/20/14/514782014.db2.gz KCOXCDGCJMDCMD-DYVFJYSZSA-N 1 2 358.423 2.628 20 5 FFBDLO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(F)cc1Br ZINC000485025295 514879245 /nfs/dbraw/zinc/87/92/45/514879245.db2.gz KBBKCPOJDCDAQU-UHFFFAOYSA-N 1 2 357.183 2.825 20 5 FFBDLO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(F)cc1Br ZINC000485025295 514879257 /nfs/dbraw/zinc/87/92/57/514879257.db2.gz KBBKCPOJDCDAQU-UHFFFAOYSA-N 1 2 357.183 2.825 20 5 FFBDLO Cc1[nH]c2ccc(Cn3cc(Br)cc([N+](=O)[O-])c3=O)cc2[nH+]1 ZINC000467204853 514938112 /nfs/dbraw/zinc/93/81/12/514938112.db2.gz CTWNZSNITPJYJP-UHFFFAOYSA-N 1 2 363.171 2.752 20 5 FFBDLO Cc1[nH]c2cc(Cn3cc(Br)cc([N+](=O)[O-])c3=O)ccc2[nH+]1 ZINC000467204853 514938125 /nfs/dbraw/zinc/93/81/25/514938125.db2.gz CTWNZSNITPJYJP-UHFFFAOYSA-N 1 2 363.171 2.752 20 5 FFBDLO O=[N+]([O-])c1cc(F)c(CN2CC[NH+](Cc3cccc(O)c3)CC2)c(F)c1 ZINC000509366084 515143804 /nfs/dbraw/zinc/14/38/04/515143804.db2.gz MXRIPQLDCHIEQZ-UHFFFAOYSA-N 1 2 363.364 2.896 20 5 FFBDLO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000486045449 515311402 /nfs/dbraw/zinc/31/14/02/515311402.db2.gz ARFTXRZCYOFYDN-CQSZACIVSA-N 1 2 350.325 2.892 20 5 FFBDLO C[NH+](C)[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccccc1Cl ZINC000468930721 515586909 /nfs/dbraw/zinc/58/69/09/515586909.db2.gz MBUOJOFKWKYUEM-INIZCTEOSA-N 1 2 363.801 2.987 20 5 FFBDLO C[S@](=O)c1ccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000505598605 515602886 /nfs/dbraw/zinc/60/28/86/515602886.db2.gz XMOMJLSCZMPCPX-VWLOTQADSA-N 1 2 359.451 2.654 20 5 FFBDLO O=[N+]([O-])c1cncc(Br)c1NCc1cccc(-n2cc[nH+]c2)c1 ZINC000500283025 515655382 /nfs/dbraw/zinc/65/53/82/515655382.db2.gz XNFDJOMKKCPBRA-UHFFFAOYSA-N 1 2 374.198 2.972 20 5 FFBDLO Cc1noc(C)c1C[NH+](CCn1ccc([N+](=O)[O-])n1)Cc1c(C)noc1C ZINC000478023778 515671300 /nfs/dbraw/zinc/67/13/00/515671300.db2.gz KLOHEILUVRUMFA-UHFFFAOYSA-N 1 2 374.401 2.703 20 5 FFBDLO Cn1cc(C[NH+]2CC(C(=O)OC(C)(C)C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000459589249 515674236 /nfs/dbraw/zinc/67/42/36/515674236.db2.gz HPPSUKDYNNSHHE-UHFFFAOYSA-N 1 2 372.425 2.769 20 5 FFBDLO CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000459595771 515678393 /nfs/dbraw/zinc/67/83/93/515678393.db2.gz XKCDOOMRBJDFPJ-SFHVURJKSA-N 1 2 363.414 2.587 20 5 FFBDLO CC(C)(C)OC(=O)[C@@]1(C)CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000459595771 515678401 /nfs/dbraw/zinc/67/84/01/515678401.db2.gz XKCDOOMRBJDFPJ-SFHVURJKSA-N 1 2 363.414 2.587 20 5 FFBDLO CNC(=O)C1C[NH+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000459626565 515705506 /nfs/dbraw/zinc/70/55/06/515705506.db2.gz VCCBOIJDVJXYMI-UHFFFAOYSA-N 1 2 359.357 2.704 20 5 FFBDLO C[NH+](C)CCCOc1ccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000511201436 515825881 /nfs/dbraw/zinc/82/58/81/515825881.db2.gz OLAJHAREPOAIIK-UHFFFAOYSA-N 1 2 373.409 2.561 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCCNc2ccc3ccccc3[nH+]2)c1 ZINC000469746820 515949741 /nfs/dbraw/zinc/94/97/41/515949741.db2.gz SWLHMUDXVCJNCN-UHFFFAOYSA-N 1 2 350.378 2.715 20 5 FFBDLO Cc1c(CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)cccc1[N+](=O)[O-] ZINC000478925302 516010268 /nfs/dbraw/zinc/01/02/68/516010268.db2.gz LGGXGOSIALSPNE-UHFFFAOYSA-N 1 2 369.425 2.766 20 5 FFBDLO COC(=O)c1cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc(C(=O)OC)c1 ZINC000501258920 516035387 /nfs/dbraw/zinc/03/53/87/516035387.db2.gz RIDGERFKUAXNNO-UHFFFAOYSA-N 1 2 372.377 2.800 20 5 FFBDLO COC(=O)c1cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc(C(=O)OC)c1 ZINC000501258920 516035395 /nfs/dbraw/zinc/03/53/95/516035395.db2.gz RIDGERFKUAXNNO-UHFFFAOYSA-N 1 2 372.377 2.800 20 5 FFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C(=O)c2cccnc2)CC1 ZINC000470175063 516163137 /nfs/dbraw/zinc/16/31/37/516163137.db2.gz XYLIGIYJZLGQKQ-FOWTUZBSSA-N 1 2 366.421 2.851 20 5 FFBDLO COc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1F ZINC000512304443 516230963 /nfs/dbraw/zinc/23/09/63/516230963.db2.gz KAXMAPTXBFWBDN-UHFFFAOYSA-N 1 2 370.340 2.858 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000512439114 516279927 /nfs/dbraw/zinc/27/99/27/516279927.db2.gz NTIMEZYYMDBPQC-QAPCUYQASA-N 1 2 363.458 2.677 20 5 FFBDLO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000512702398 516330243 /nfs/dbraw/zinc/33/02/43/516330243.db2.gz FKNGVYHPDQXDBD-CZUORRHYSA-N 1 2 355.394 2.866 20 5 FFBDLO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000512702398 516330247 /nfs/dbraw/zinc/33/02/47/516330247.db2.gz FKNGVYHPDQXDBD-CZUORRHYSA-N 1 2 355.394 2.866 20 5 FFBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000557625818 516344852 /nfs/dbraw/zinc/34/48/52/516344852.db2.gz LVUAZADGLMICAT-PXAZEXFGSA-N 1 2 358.398 2.974 20 5 FFBDLO Cc1n[nH]c(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000522925637 516352540 /nfs/dbraw/zinc/35/25/40/516352540.db2.gz ZFHJKLXBZJTLNG-GFCCVEGCSA-N 1 2 374.788 2.533 20 5 FFBDLO C[C@H](NC(=O)NCCc1cn2ccccc2[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000540347218 516520870 /nfs/dbraw/zinc/52/08/70/516520870.db2.gz BNLJIUCNOFOCCR-ZDUSSCGKSA-N 1 2 353.382 2.845 20 5 FFBDLO CN(c1ccccc1)c1ccc(C[NH2+]Cc2nncn2C)cc1[N+](=O)[O-] ZINC000540546633 516612810 /nfs/dbraw/zinc/61/28/10/516612810.db2.gz AHAOJKGGSJMOKG-UHFFFAOYSA-N 1 2 352.398 2.781 20 5 FFBDLO CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000518536824 516696326 /nfs/dbraw/zinc/69/63/26/516696326.db2.gz OFRXKRZBWHOHRP-KRWDZBQOSA-N 1 2 355.394 2.650 20 5 FFBDLO CN(C)c1[nH+]cccc1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000513689392 516718607 /nfs/dbraw/zinc/71/86/07/516718607.db2.gz RXVLDDMJVHUQQM-UHFFFAOYSA-N 1 2 352.297 2.910 20 5 FFBDLO Cc1cc[nH+]cc1N1CCN(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000544353542 516721022 /nfs/dbraw/zinc/72/10/22/516721022.db2.gz LQPOBTLZQNEDPC-OAHLLOKOSA-N 1 2 369.425 2.891 20 5 FFBDLO CCc1cc(NCCOc2ccc([N+](=O)[O-])cc2)nc(-c2ccncc2)[nH+]1 ZINC000524626172 516771226 /nfs/dbraw/zinc/77/12/26/516771226.db2.gz YCAVEJWHJKOAMK-UHFFFAOYSA-N 1 2 365.393 2.922 20 5 FFBDLO C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccon1 ZINC000544546271 516805954 /nfs/dbraw/zinc/80/59/54/516805954.db2.gz AJWZAAJNWYHAPI-QMMMGPOBSA-N 1 2 369.175 2.635 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000518914884 516819400 /nfs/dbraw/zinc/81/94/00/516819400.db2.gz OCFTWBIOQJCDLG-NSHDSACASA-N 1 2 351.357 2.683 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000518914884 516819407 /nfs/dbraw/zinc/81/94/07/516819407.db2.gz OCFTWBIOQJCDLG-NSHDSACASA-N 1 2 351.357 2.683 20 5 FFBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000544637179 516848367 /nfs/dbraw/zinc/84/83/67/516848367.db2.gz NYGIKCBHNDQVAO-ZDUSSCGKSA-N 1 2 367.471 2.546 20 5 FFBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000544637179 516848377 /nfs/dbraw/zinc/84/83/77/516848377.db2.gz NYGIKCBHNDQVAO-ZDUSSCGKSA-N 1 2 367.471 2.546 20 5 FFBDLO O=C(C1CC1)N1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000536636365 516866431 /nfs/dbraw/zinc/86/64/31/516866431.db2.gz NXBOOTGUJMWMIR-UHFFFAOYSA-N 1 2 355.394 2.909 20 5 FFBDLO Nc1nccc(C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)c1[N+](=O)[O-] ZINC000548385337 516949153 /nfs/dbraw/zinc/94/91/53/516949153.db2.gz CKCQQYHUXUFDJM-UHFFFAOYSA-N 1 2 366.381 2.731 20 5 FFBDLO Cc1ccccc1[C@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000541348518 517004409 /nfs/dbraw/zinc/00/44/09/517004409.db2.gz PYWIWENDVRJPPI-OXJNMPFZSA-N 1 2 372.421 2.716 20 5 FFBDLO Cc1ccccc1[C@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000541348518 517004419 /nfs/dbraw/zinc/00/44/19/517004419.db2.gz PYWIWENDVRJPPI-OXJNMPFZSA-N 1 2 372.421 2.716 20 5 FFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000548714240 517161982 /nfs/dbraw/zinc/16/19/82/517161982.db2.gz NSMAQZDNBXRSSJ-KRWDZBQOSA-N 1 2 369.425 2.888 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+][C@H](CO)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000552281601 517177051 /nfs/dbraw/zinc/17/70/51/517177051.db2.gz DGXRNXNLLDTHIE-HKUYNNGSSA-N 1 2 366.421 2.611 20 5 FFBDLO C[N@H+](CC(=O)NC1C2CC3CC(C2)CC1C3)Cc1ccccc1[N+](=O)[O-] ZINC000515033428 517178696 /nfs/dbraw/zinc/17/86/96/517178696.db2.gz GMSAEBXKPIPPDE-UHFFFAOYSA-N 1 2 357.454 2.968 20 5 FFBDLO C[N@@H+](CC(=O)NC1C2CC3CC(C2)CC1C3)Cc1ccccc1[N+](=O)[O-] ZINC000515033428 517178705 /nfs/dbraw/zinc/17/87/05/517178705.db2.gz GMSAEBXKPIPPDE-UHFFFAOYSA-N 1 2 357.454 2.968 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2c(F)cccc2Cl)cc1 ZINC000541760652 517201217 /nfs/dbraw/zinc/20/12/17/517201217.db2.gz NVWHXEIVGIJMQL-UHFFFAOYSA-N 1 2 372.805 2.951 20 5 FFBDLO CCN(Cc1cn(C)nn1)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000541936297 517301812 /nfs/dbraw/zinc/30/18/12/517301812.db2.gz WZCXZBYAMKQRPX-UHFFFAOYSA-N 1 2 353.386 2.515 20 5 FFBDLO Cc1ccc([C@H](CNC(=O)c2cccc(O)c2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000537730667 517315348 /nfs/dbraw/zinc/31/53/48/517315348.db2.gz PRLFUFCMYMLESC-AWEZNQCLSA-N 1 2 359.382 2.769 20 5 FFBDLO COc1ccc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000542034325 517349568 /nfs/dbraw/zinc/34/95/68/517349568.db2.gz DDNHABPIUJLGFK-UHFFFAOYSA-N 1 2 371.397 2.789 20 5 FFBDLO O=[N+]([O-])c1cccc(CS(=O)(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)c1 ZINC000542139477 517402018 /nfs/dbraw/zinc/40/20/18/517402018.db2.gz AAXYUZLQYXLBTF-UHFFFAOYSA-N 1 2 372.406 2.605 20 5 FFBDLO CN(CCc1ccccc1[N+](=O)[O-])c1cc(N2CCSCC2)nc[nH+]1 ZINC000553244367 517597844 /nfs/dbraw/zinc/59/78/44/517597844.db2.gz UQFOYMRZTPKQPL-UHFFFAOYSA-N 1 2 359.455 2.617 20 5 FFBDLO CN(CCc1ccccc1[N+](=O)[O-])c1cc(N2CCSCC2)[nH+]cn1 ZINC000553244367 517597850 /nfs/dbraw/zinc/59/78/50/517597850.db2.gz UQFOYMRZTPKQPL-UHFFFAOYSA-N 1 2 359.455 2.617 20 5 FFBDLO COc1ccc(CN[C@@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)cc1O ZINC000556873133 517719857 /nfs/dbraw/zinc/71/98/57/517719857.db2.gz UJIKBZNYMCIJNL-GOSISDBHSA-N 1 2 368.393 2.922 20 5 FFBDLO C[C@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000543031009 517873316 /nfs/dbraw/zinc/87/33/16/517873316.db2.gz VDPOCBLHMZPBRS-WDEREUQCSA-N 1 2 361.489 2.735 20 5 FFBDLO C[C@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000543031009 517873324 /nfs/dbraw/zinc/87/33/24/517873324.db2.gz VDPOCBLHMZPBRS-WDEREUQCSA-N 1 2 361.489 2.735 20 5 FFBDLO Cc1cccc(CCCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000557362857 517974257 /nfs/dbraw/zinc/97/42/57/517974257.db2.gz ZZVWMDYYPJYVKS-UHFFFAOYSA-N 1 2 365.393 2.847 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000575839971 518303638 /nfs/dbraw/zinc/30/36/38/518303638.db2.gz CTVDRSXVHLOIQD-AEFFLSMTSA-N 1 2 359.426 2.875 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000575839971 518303642 /nfs/dbraw/zinc/30/36/42/518303642.db2.gz CTVDRSXVHLOIQD-AEFFLSMTSA-N 1 2 359.426 2.875 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)Nc2c[nH+]ccc2N2CCCC2)c(F)c1 ZINC000575923174 518346037 /nfs/dbraw/zinc/34/60/37/518346037.db2.gz ZHJAWSIWYHSJFX-UHFFFAOYSA-N 1 2 366.374 2.530 20 5 FFBDLO Cc1noc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000564298795 518386429 /nfs/dbraw/zinc/38/64/29/518386429.db2.gz AROLERYYAOJXRT-HTQZYQBOSA-N 1 2 353.766 2.617 20 5 FFBDLO Cn1cc([C@H]2CCCC[N@@H+]2Cc2cc([N+](=O)[O-])cc3c2OCOC3)cn1 ZINC000585753858 518585499 /nfs/dbraw/zinc/58/54/99/518585499.db2.gz DTMGYRGKWUBRFO-QGZVFWFLSA-N 1 2 358.398 2.922 20 5 FFBDLO Cn1cc([C@H]2CCCC[N@H+]2Cc2cc([N+](=O)[O-])cc3c2OCOC3)cn1 ZINC000585753858 518585506 /nfs/dbraw/zinc/58/55/06/518585506.db2.gz DTMGYRGKWUBRFO-QGZVFWFLSA-N 1 2 358.398 2.922 20 5 FFBDLO Cn1cc(Br)c(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000567626587 518621646 /nfs/dbraw/zinc/62/16/46/518621646.db2.gz QZAGZZIWHSIEQU-GFCCVEGCSA-N 1 2 351.204 2.868 20 5 FFBDLO Cc1c(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cnn1C ZINC000570769512 518767784 /nfs/dbraw/zinc/76/77/84/518767784.db2.gz JMUDSMIVOBPOGY-LLVKDONJSA-N 1 2 365.821 2.749 20 5 FFBDLO Cc1c(C[N@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cnn1C ZINC000570769512 518767786 /nfs/dbraw/zinc/76/77/86/518767786.db2.gz JMUDSMIVOBPOGY-LLVKDONJSA-N 1 2 365.821 2.749 20 5 FFBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1c[nH+]c(C)nc1N ZINC000567956437 518800628 /nfs/dbraw/zinc/80/06/28/518800628.db2.gz OMFCCNMVLJGMFX-UHFFFAOYSA-N 1 2 361.427 2.538 20 5 FFBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000571195591 518973444 /nfs/dbraw/zinc/97/34/44/518973444.db2.gz AUMRYDXNIXBPSM-UHFFFAOYSA-N 1 2 351.366 2.957 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@@H](CO)c2ccc(OC)cc2)c1 ZINC000589500098 519019419 /nfs/dbraw/zinc/01/94/19/519019419.db2.gz VDNRIIKEPRBPNN-SFHVURJKSA-N 1 2 374.393 2.555 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@@H](CO)c2ccc(OC)cc2)c1 ZINC000589500098 519019423 /nfs/dbraw/zinc/01/94/23/519019423.db2.gz VDNRIIKEPRBPNN-SFHVURJKSA-N 1 2 374.393 2.555 20 5 FFBDLO Cc1cc(C)c(NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(C)[nH+]1 ZINC000568596907 519119981 /nfs/dbraw/zinc/11/99/81/519119981.db2.gz VALPZGXSHIMZFE-UHFFFAOYSA-N 1 2 370.413 2.664 20 5 FFBDLO O=[N+]([O-])c1cc2c(nc1NCc1ccc[nH+]c1N1CCOCC1)CCCC2 ZINC000574395772 519135032 /nfs/dbraw/zinc/13/50/32/519135032.db2.gz NIMVTFQREKWHEB-UHFFFAOYSA-N 1 2 369.425 2.712 20 5 FFBDLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000577898245 519313992 /nfs/dbraw/zinc/31/39/92/519313992.db2.gz BVLORPRIUHHYJG-JOCQHMNTSA-N 1 2 356.382 2.849 20 5 FFBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000583965066 519520218 /nfs/dbraw/zinc/52/02/18/519520218.db2.gz POWVJADQSOPTRA-INIZCTEOSA-N 1 2 372.429 2.791 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]Cc1cccc(CO)c1)c1cccc([N+](=O)[O-])c1 ZINC000569485276 519576604 /nfs/dbraw/zinc/57/66/04/519576604.db2.gz NDSORDYHHQPVEN-SFHVURJKSA-N 1 2 352.394 2.700 20 5 FFBDLO O=c1c2c([nH]n1-c1cccc([N+](=O)[O-])c1)CC[N@@H+](Cc1ccccc1)C2 ZINC000594661429 520072557 /nfs/dbraw/zinc/07/25/57/520072557.db2.gz YWYQTAZEZPXFPU-KRWDZBQOSA-N 1 2 350.378 2.820 20 5 FFBDLO O=c1c2c([nH]n1-c1cccc([N+](=O)[O-])c1)CC[N@H+](Cc1ccccc1)C2 ZINC000594661429 520072565 /nfs/dbraw/zinc/07/25/65/520072565.db2.gz YWYQTAZEZPXFPU-KRWDZBQOSA-N 1 2 350.378 2.820 20 5 FFBDLO O=C1C[C@@H]([NH+]2CCC(c3ccco3)CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000594661417 520073234 /nfs/dbraw/zinc/07/32/34/520073234.db2.gz YNIZJYXQGYFFSA-MRXNPFEDSA-N 1 2 369.377 2.699 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000600271663 520169756 /nfs/dbraw/zinc/16/97/56/520169756.db2.gz MMYMQSPKKABXNK-KGLIPLIRSA-N 1 2 358.423 2.891 20 5 FFBDLO Cc1ccc(C[N@@H+](C)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)s1 ZINC000609076293 520185574 /nfs/dbraw/zinc/18/55/74/520185574.db2.gz UYDSLDXRNPAWCX-OAHLLOKOSA-N 1 2 359.407 2.729 20 5 FFBDLO Cc1ccc(C[N@H+](C)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)s1 ZINC000609076293 520185580 /nfs/dbraw/zinc/18/55/80/520185580.db2.gz UYDSLDXRNPAWCX-OAHLLOKOSA-N 1 2 359.407 2.729 20 5 FFBDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000600299237 520188847 /nfs/dbraw/zinc/18/88/47/520188847.db2.gz RMYKCZRWDPSROM-ZDUSSCGKSA-N 1 2 361.423 2.669 20 5 FFBDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000600299237 520188857 /nfs/dbraw/zinc/18/88/57/520188857.db2.gz RMYKCZRWDPSROM-ZDUSSCGKSA-N 1 2 361.423 2.669 20 5 FFBDLO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000597723645 520197379 /nfs/dbraw/zinc/19/73/79/520197379.db2.gz MDJIZNAOWZUZBK-CABCVRRESA-N 1 2 354.410 2.829 20 5 FFBDLO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000597723645 520197387 /nfs/dbraw/zinc/19/73/87/520197387.db2.gz MDJIZNAOWZUZBK-CABCVRRESA-N 1 2 354.410 2.829 20 5 FFBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609130885 520199763 /nfs/dbraw/zinc/19/97/63/520199763.db2.gz AVBMDCGTYHOZFT-KRWDZBQOSA-N 1 2 357.414 2.847 20 5 FFBDLO O=[N+]([O-])c1cc(C[NH2+][C@@H](CCO)c2ccccc2F)c2c(c1)COCO2 ZINC000592159067 520234903 /nfs/dbraw/zinc/23/49/03/520234903.db2.gz ANJDSNOWPNZRGO-KRWDZBQOSA-N 1 2 362.357 2.814 20 5 FFBDLO O=C(C[N@@H+]1CCCO[C@H](c2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000609234423 520241176 /nfs/dbraw/zinc/24/11/76/520241176.db2.gz RQUBCQBDVPOEED-SFHVURJKSA-N 1 2 355.394 2.997 20 5 FFBDLO O=C(C[N@H+]1CCCO[C@H](c2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000609234423 520241186 /nfs/dbraw/zinc/24/11/86/520241186.db2.gz RQUBCQBDVPOEED-SFHVURJKSA-N 1 2 355.394 2.997 20 5 FFBDLO COCCOc1ncccc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595010202 520255463 /nfs/dbraw/zinc/25/54/63/520255463.db2.gz IRXKUPLZFSFPHI-CYBMUJFWSA-N 1 2 361.398 2.874 20 5 FFBDLO C[C@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC2(CCCC2)O1 ZINC000592193770 520256276 /nfs/dbraw/zinc/25/62/76/520256276.db2.gz NDVTUYQVLDKBMH-AWEZNQCLSA-N 1 2 359.426 2.517 20 5 FFBDLO C[C@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC2(CCCC2)O1 ZINC000592193770 520256284 /nfs/dbraw/zinc/25/62/84/520256284.db2.gz NDVTUYQVLDKBMH-AWEZNQCLSA-N 1 2 359.426 2.517 20 5 FFBDLO Cc1noc(CN2CCc3c([nH+]cn3-c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000595430429 520467195 /nfs/dbraw/zinc/46/71/95/520467195.db2.gz MOOTZSHCPQJWPP-UHFFFAOYSA-N 1 2 357.345 2.774 20 5 FFBDLO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C(F)(F)F)O1 ZINC000610413320 520672677 /nfs/dbraw/zinc/67/26/77/520672677.db2.gz NGUJEJKZFFSUED-ZWNOBZJWSA-N 1 2 361.320 2.575 20 5 FFBDLO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C(F)(F)F)O1 ZINC000610413320 520672684 /nfs/dbraw/zinc/67/26/84/520672684.db2.gz NGUJEJKZFFSUED-ZWNOBZJWSA-N 1 2 361.320 2.575 20 5 FFBDLO O=[N+]([O-])c1sccc1NCc1ccc(C[NH+]2CCS(=O)CC2)cc1 ZINC000601178060 520674126 /nfs/dbraw/zinc/67/41/26/520674126.db2.gz JTVKLUBBKGTKNJ-UHFFFAOYSA-N 1 2 365.480 2.833 20 5 FFBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601179468 520675179 /nfs/dbraw/zinc/67/51/79/520675179.db2.gz WAQIOMUSHUWBRK-ZDUSSCGKSA-N 1 2 358.373 2.648 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](C)c2c(F)cncc2F)c1 ZINC000593028507 520692920 /nfs/dbraw/zinc/69/29/20/520692920.db2.gz OPKMSPBAGGSOMF-VIFPVBQESA-N 1 2 351.309 2.905 20 5 FFBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000601224523 520696012 /nfs/dbraw/zinc/69/60/12/520696012.db2.gz GNBUOEWAPPRPEH-CYBMUJFWSA-N 1 2 368.821 2.577 20 5 FFBDLO CC(C)(C)OC(=O)C1([NH2+]CCn2cc([N+](=O)[O-])cn2)CCCCCC1 ZINC000593061792 520717647 /nfs/dbraw/zinc/71/76/47/520717647.db2.gz ABZFUJOTZRRMIY-UHFFFAOYSA-N 1 2 352.435 2.816 20 5 FFBDLO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c(C)c1[N+](=O)[O-] ZINC000598602745 520737505 /nfs/dbraw/zinc/73/75/05/520737505.db2.gz BEWUAQHZVOPRTA-ZDUSSCGKSA-N 1 2 364.427 2.851 20 5 FFBDLO O=C(CC[N@@H+]1CCO[C@H](CC(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000595888219 520794891 /nfs/dbraw/zinc/79/48/91/520794891.db2.gz WJEYDDZWLWKKRE-LLVKDONJSA-N 1 2 361.320 2.577 20 5 FFBDLO O=C(CC[N@H+]1CCO[C@H](CC(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000595888219 520794896 /nfs/dbraw/zinc/79/48/96/520794896.db2.gz WJEYDDZWLWKKRE-LLVKDONJSA-N 1 2 361.320 2.577 20 5 FFBDLO CC(C)CN1C[C@H]2CN(c3ccc4c[nH+]ccc4c3[N+](=O)[O-])CCN2C1=O ZINC000599072314 521015163 /nfs/dbraw/zinc/01/51/63/521015163.db2.gz BMIDYXXKVRTVQP-OAHLLOKOSA-N 1 2 369.425 2.725 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[C@H]2CC[C@@H](C1)S2 ZINC000599134666 521048634 /nfs/dbraw/zinc/04/86/34/521048634.db2.gz LYVYVRBUBGDNNV-CVEARBPZSA-N 1 2 363.483 2.901 20 5 FFBDLO Cc1cc(NCCNc2ncnc3sc([N+](=O)[O-])cc32)nc(C(C)C)[nH+]1 ZINC000599146676 521052513 /nfs/dbraw/zinc/05/25/13/521052513.db2.gz ANNWDFSBUAJMEF-UHFFFAOYSA-N 1 2 373.442 2.767 20 5 FFBDLO CCc1nn(C)c(N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)c1[N+](=O)[O-] ZINC000599178841 521072931 /nfs/dbraw/zinc/07/29/31/521072931.db2.gz KPMLBZSGABUCTC-UHFFFAOYSA-N 1 2 368.441 2.694 20 5 FFBDLO C[C@@H](O)[C@@H]([NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1F ZINC000593656128 521134209 /nfs/dbraw/zinc/13/42/09/521134209.db2.gz BVWDUJANGUPMFE-ADLMAVQZSA-N 1 2 362.357 2.717 20 5 FFBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCO[C@@H](Cc3ccccc3)C1)OCCO2 ZINC000611464369 521169646 /nfs/dbraw/zinc/16/96/46/521169646.db2.gz GXOAZWALCRIZSF-KRWDZBQOSA-N 1 2 370.405 2.810 20 5 FFBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCO[C@@H](Cc3ccccc3)C1)OCCO2 ZINC000611464369 521169650 /nfs/dbraw/zinc/16/96/50/521169650.db2.gz GXOAZWALCRIZSF-KRWDZBQOSA-N 1 2 370.405 2.810 20 5 FFBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](OC(F)F)C2)cccc1[N+](=O)[O-] ZINC000611576438 521230086 /nfs/dbraw/zinc/23/00/86/521230086.db2.gz ALTXZNPUYKOWEN-NEPJUHHUSA-N 1 2 357.357 2.934 20 5 FFBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](OC(F)F)C2)cccc1[N+](=O)[O-] ZINC000611576438 521230092 /nfs/dbraw/zinc/23/00/92/521230092.db2.gz ALTXZNPUYKOWEN-NEPJUHHUSA-N 1 2 357.357 2.934 20 5 FFBDLO Cn1nccc1[C@@H]1c2[nH]c[nH+]c2CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000599446003 521232273 /nfs/dbraw/zinc/23/22/73/521232273.db2.gz WZQNRWSDNIMPIH-QGZVFWFLSA-N 1 2 372.816 2.853 20 5 FFBDLO O=C(N[C@H](C1CC1)[C@@H]1CCCCO1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000594069646 521387486 /nfs/dbraw/zinc/38/74/86/521387486.db2.gz CLDASKJDHQKYCE-ZWKOTPCHSA-N 1 2 370.409 2.858 20 5 FFBDLO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602610520 521435877 /nfs/dbraw/zinc/43/58/77/521435877.db2.gz ALUPXJHENCKPDD-ULCDLSAGSA-N 1 2 355.279 2.618 20 5 FFBDLO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602610520 521435880 /nfs/dbraw/zinc/43/58/80/521435880.db2.gz ALUPXJHENCKPDD-ULCDLSAGSA-N 1 2 355.279 2.618 20 5 FFBDLO COC(=O)[C@@](C)(NCc1c[nH+]c2ccc(C)cn12)c1cccc([N+](=O)[O-])c1 ZINC000602735674 521504567 /nfs/dbraw/zinc/50/45/67/521504567.db2.gz JONMLZQQMFEENX-IBGZPJMESA-N 1 2 368.393 2.729 20 5 FFBDLO COC(=O)c1cc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)no1 ZINC000602748816 521514960 /nfs/dbraw/zinc/51/49/60/521514960.db2.gz VEXZHNPQZKNYHT-UHFFFAOYSA-N 1 2 363.345 2.888 20 5 FFBDLO CC(C)(CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC000898907055 735421965 /nfs/dbraw/zinc/42/19/65/735421965.db2.gz QVCRAFVACOGAEF-UHFFFAOYSA-N 1 2 354.313 2.558 20 5 FFBDLO Cc1cc(S(=O)(=O)Oc2ccc(-n3cc[nH+]c3)cc2)ccc1[N+](=O)[O-] ZINC000172015070 729018019 /nfs/dbraw/zinc/01/80/19/729018019.db2.gz QJVZOELQOQXKJR-UHFFFAOYSA-N 1 2 359.363 2.857 20 5 FFBDLO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000175889872 729103484 /nfs/dbraw/zinc/10/34/84/729103484.db2.gz OALICBVIMTYOOY-ZDUSSCGKSA-N 1 2 367.833 2.575 20 5 FFBDLO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CC[NH+](CCCF)CC1 ZINC000858599873 730429639 /nfs/dbraw/zinc/42/96/39/730429639.db2.gz QZBILEAJWYIHPE-UHFFFAOYSA-N 1 2 359.785 2.516 20 5 FFBDLO O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1Cl ZINC000860129714 730479622 /nfs/dbraw/zinc/47/96/22/730479622.db2.gz YPDBLKYGKRAAMP-UONOGXRCSA-N 1 2 367.833 2.621 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCC[C@@H](OC(F)F)C3)n2)cc1 ZINC000781148362 738601625 /nfs/dbraw/zinc/60/16/25/738601625.db2.gz DEWKUINSPDKUQU-CYBMUJFWSA-N 1 2 353.329 2.514 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CCC[C@@H](OC(F)F)C3)n2)cc1 ZINC000781148362 738601627 /nfs/dbraw/zinc/60/16/27/738601627.db2.gz DEWKUINSPDKUQU-CYBMUJFWSA-N 1 2 353.329 2.514 20 5 FFBDLO C[C@@H]1COCCC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878286907 732509396 /nfs/dbraw/zinc/50/93/96/732509396.db2.gz VCIOGKWYYUQXNK-SNVBAGLBSA-N 1 2 352.778 2.909 20 5 FFBDLO C[C@@H]1COCCC[N@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878286907 732509402 /nfs/dbraw/zinc/50/94/02/732509402.db2.gz VCIOGKWYYUQXNK-SNVBAGLBSA-N 1 2 352.778 2.909 20 5 FFBDLO CC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@@H]2C1 ZINC000880312830 732885455 /nfs/dbraw/zinc/88/54/55/732885455.db2.gz WOGCJNRSPYGJFM-TXEJJXNPSA-N 1 2 358.225 2.812 20 5 FFBDLO CC(=O)N1C[C@@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@@H]2C1 ZINC000880312830 732885471 /nfs/dbraw/zinc/88/54/71/732885471.db2.gz WOGCJNRSPYGJFM-TXEJJXNPSA-N 1 2 358.225 2.812 20 5 FFBDLO COc1ccc(OCCO[NH+]=C(N)Cc2cccs2)c([N+](=O)[O-])c1 ZINC000782326547 738710494 /nfs/dbraw/zinc/71/04/94/738710494.db2.gz HHGNJZUXWAGLCK-UHFFFAOYSA-N 1 2 351.384 2.785 20 5 FFBDLO CSCC[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000886127757 733752762 /nfs/dbraw/zinc/75/27/62/733752762.db2.gz RRVFLYOGXXWRAT-CYBMUJFWSA-N 1 2 358.427 2.617 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H](C(F)(F)F)C1 ZINC000888004654 734003449 /nfs/dbraw/zinc/00/34/49/734003449.db2.gz VLJLYPJDZFEVTR-LLVKDONJSA-N 1 2 354.288 2.805 20 5 FFBDLO O=C(NC1C[C@H]2CC[C@@H](C1)S2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000888369779 734043109 /nfs/dbraw/zinc/04/31/09/734043109.db2.gz JVIHOILIYDYATR-AGUYFDCRSA-N 1 2 358.423 2.937 20 5 FFBDLO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927767675 738780620 /nfs/dbraw/zinc/78/06/20/738780620.db2.gz DJHRIBJXSAXEAZ-WQLSENKSSA-N 1 2 360.439 2.833 20 5 FFBDLO COCCO[C@@H]1CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000783715946 738828474 /nfs/dbraw/zinc/82/84/74/738828474.db2.gz ZAFHBQYYENYZBC-LLVKDONJSA-N 1 2 359.220 2.595 20 5 FFBDLO COCCO[C@@H]1CC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000783715946 738828477 /nfs/dbraw/zinc/82/84/77/738828477.db2.gz ZAFHBQYYENYZBC-LLVKDONJSA-N 1 2 359.220 2.595 20 5 FFBDLO COc1cc([C@@H](C)[NH2+]Cc2nc(CN(C)C)cs2)cc([N+](=O)[O-])c1 ZINC000903220296 736058015 /nfs/dbraw/zinc/05/80/15/736058015.db2.gz KXFWACHJUFSCAO-LLVKDONJSA-N 1 2 350.444 2.972 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000760877525 736676817 /nfs/dbraw/zinc/67/68/17/736676817.db2.gz WBMPVZXHUPROFA-GRYCIOLGSA-N 1 2 355.822 2.668 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000760877525 736676820 /nfs/dbraw/zinc/67/68/20/736676820.db2.gz WBMPVZXHUPROFA-GRYCIOLGSA-N 1 2 355.822 2.668 20 5 FFBDLO O=C(CN1CCC[C@@H](n2cc[nH+]c2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000772747097 737838989 /nfs/dbraw/zinc/83/89/89/737838989.db2.gz IUKAVDDXKMTCNZ-CYBMUJFWSA-N 1 2 363.805 2.720 20 5 FFBDLO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000778202376 738363357 /nfs/dbraw/zinc/36/33/57/738363357.db2.gz SHMAJSASPQURFH-LBPRGKRZSA-N 1 2 351.403 2.647 20 5 FFBDLO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CC(Oc2cc[nH+]cc2)C1 ZINC000790635425 739478019 /nfs/dbraw/zinc/47/80/19/739478019.db2.gz QHMHAXQRCCANNH-UHFFFAOYSA-N 1 2 365.748 2.615 20 5 FFBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCCc1c[nH+]cn1C ZINC000793258780 739759017 /nfs/dbraw/zinc/75/90/17/739759017.db2.gz OZRGTGFACKKYCX-SNVBAGLBSA-N 1 2 353.762 2.535 20 5 FFBDLO CC1=C(Br)C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000797526942 740253774 /nfs/dbraw/zinc/25/37/74/740253774.db2.gz FIUCWDOKFRXLTF-LBPRGKRZSA-N 1 2 371.231 2.709 20 5 FFBDLO CC1=C(Br)C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000797526942 740253777 /nfs/dbraw/zinc/25/37/77/740253777.db2.gz FIUCWDOKFRXLTF-LBPRGKRZSA-N 1 2 371.231 2.709 20 5 FFBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc(Br)ccc1[N+](=O)[O-] ZINC000804809126 740906361 /nfs/dbraw/zinc/90/63/61/740906361.db2.gz PALNAEMATFINLZ-AAEUAGOBSA-N 1 2 370.247 2.657 20 5 FFBDLO O=C(NC1CC1)OC[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000810038973 741375671 /nfs/dbraw/zinc/37/56/71/741375671.db2.gz MDNSNJMDEMMSSU-OAHLLOKOSA-N 1 2 351.378 2.977 20 5 FFBDLO O=C(NC1CC1)OC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000810038973 741375675 /nfs/dbraw/zinc/37/56/75/741375675.db2.gz MDNSNJMDEMMSSU-OAHLLOKOSA-N 1 2 351.378 2.977 20 5 FFBDLO CC(C)[C@@]1(CO)CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000815233817 741915649 /nfs/dbraw/zinc/91/56/49/741915649.db2.gz USQPMYTUDGVNLX-KRWDZBQOSA-N 1 2 369.849 2.917 20 5 FFBDLO CC(C)[C@@]1(CO)CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000815233817 741915652 /nfs/dbraw/zinc/91/56/52/741915652.db2.gz USQPMYTUDGVNLX-KRWDZBQOSA-N 1 2 369.849 2.917 20 5 FFBDLO Cc1ccc(C[N@H+]2CC=C(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(Cl)c1 ZINC001000675151 742093634 /nfs/dbraw/zinc/09/36/34/742093634.db2.gz SDXGRNTWPQEVFC-NVXWUHKLSA-N 1 2 363.845 2.562 20 5 FFBDLO Cc1ccc(C[N@@H+]2CC=C(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(Cl)c1 ZINC001000675151 742093638 /nfs/dbraw/zinc/09/36/38/742093638.db2.gz SDXGRNTWPQEVFC-NVXWUHKLSA-N 1 2 363.845 2.562 20 5 FFBDLO CC(C)(C)OC(=O)NC1(CO)CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000829258780 745185572 /nfs/dbraw/zinc/18/55/72/745185572.db2.gz NRQLTJGHMDYYIK-UHFFFAOYSA-N 1 2 371.459 2.508 20 5 FFBDLO O=C(C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839595943 746866838 /nfs/dbraw/zinc/86/68/38/746866838.db2.gz PFLKVSNKTIUXMU-CABCVRRESA-N 1 2 353.806 2.830 20 5 FFBDLO O=C(C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839595943 746866845 /nfs/dbraw/zinc/86/68/45/746866845.db2.gz PFLKVSNKTIUXMU-CABCVRRESA-N 1 2 353.806 2.830 20 5 FFBDLO C[C@H]1C[N@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)CCC1(F)F ZINC000848491081 748939855 /nfs/dbraw/zinc/93/98/55/748939855.db2.gz RHQIUSAOTDWZJS-SWLSCSKDSA-N 1 2 353.369 2.845 20 5 FFBDLO C[C@H]1C[N@@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)CCC1(F)F ZINC000848491081 748939860 /nfs/dbraw/zinc/93/98/60/748939860.db2.gz RHQIUSAOTDWZJS-SWLSCSKDSA-N 1 2 353.369 2.845 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCn2ncc(Br)c2C1 ZINC000852621959 749904801 /nfs/dbraw/zinc/90/48/01/749904801.db2.gz CNHQTGLQLIWDKI-UHFFFAOYSA-N 1 2 367.203 2.578 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCn2ncc(Br)c2C1 ZINC000852621959 749904804 /nfs/dbraw/zinc/90/48/04/749904804.db2.gz CNHQTGLQLIWDKI-UHFFFAOYSA-N 1 2 367.203 2.578 20 5 FFBDLO COCCC[N@H+](Cc1ccncc1)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894463400 965388408 /nfs/dbraw/zinc/38/84/08/965388408.db2.gz WJMDPDKORIMMNK-UHFFFAOYSA-N 1 2 361.398 2.743 20 5 FFBDLO COCCC[N@@H+](Cc1ccncc1)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894463400 965388418 /nfs/dbraw/zinc/38/84/18/965388418.db2.gz WJMDPDKORIMMNK-UHFFFAOYSA-N 1 2 361.398 2.743 20 5 FFBDLO Cc1cn(C[N@@H+](C)Cc2ccccc2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000728704530 970429775 /nfs/dbraw/zinc/42/97/75/970429775.db2.gz BSBMYEGFAOBCOL-UHFFFAOYSA-N 1 2 352.394 2.945 20 5 FFBDLO Cc1cn(C[N@H+](C)Cc2ccccc2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000728704530 970429784 /nfs/dbraw/zinc/42/97/84/970429784.db2.gz BSBMYEGFAOBCOL-UHFFFAOYSA-N 1 2 352.394 2.945 20 5 FFBDLO CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000796547705 1014244292 /nfs/dbraw/zinc/24/42/92/1014244292.db2.gz LOTAOXFDWZESFC-AWEZNQCLSA-N 1 2 366.374 2.556 20 5 FFBDLO CN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000796547705 1014244302 /nfs/dbraw/zinc/24/43/02/1014244302.db2.gz LOTAOXFDWZESFC-AWEZNQCLSA-N 1 2 366.374 2.556 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000898392937 976414448 /nfs/dbraw/zinc/41/44/48/976414448.db2.gz ZBSUSYPDAYEUFD-GUDVDZBRSA-N 1 2 364.405 2.666 20 5 FFBDLO Cc1cc(C)c(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000193182762 987871327 /nfs/dbraw/zinc/87/13/27/987871327.db2.gz BXZVLECJTQRGET-UHFFFAOYSA-N 1 2 352.354 2.748 20 5 FFBDLO CC(C)N1CC[NH+](CCC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000901160696 989536717 /nfs/dbraw/zinc/53/67/17/989536717.db2.gz IUAKYGUMNPLJLG-UHFFFAOYSA-N 1 2 374.485 2.502 20 5 FFBDLO O=C(OCCCn1cc[nH+]c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000763287179 989555410 /nfs/dbraw/zinc/55/54/10/989555410.db2.gz FQGSTIDZZACKNW-UHFFFAOYSA-N 1 2 358.398 2.641 20 5 FFBDLO COc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC000069389775 991721737 /nfs/dbraw/zinc/72/17/37/991721737.db2.gz DEBZHCFNZSXXNE-UHFFFAOYSA-N 1 2 352.350 2.719 20 5 FFBDLO Cc1c[nH+]cc(C)c1NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001133686120 995655856 /nfs/dbraw/zinc/65/58/56/995655856.db2.gz SLZKEVTWWARZCA-UHFFFAOYSA-N 1 2 351.366 2.526 20 5 FFBDLO Cc1ccccc1[C@@H](CO)[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001169205845 1000032689 /nfs/dbraw/zinc/03/26/89/1000032689.db2.gz DHZDURAWONMOAH-OAHLLOKOSA-N 1 2 354.366 2.776 20 5 FFBDLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000804336537 1000072696 /nfs/dbraw/zinc/07/26/96/1000072696.db2.gz LWZVCCISMFUJEZ-CQSZACIVSA-N 1 2 369.425 2.526 20 5 FFBDLO COC(=O)[C@H]1CCC[C@H](OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000785942616 1001505955 /nfs/dbraw/zinc/50/59/55/1001505955.db2.gz IIBQIZSJODIOAV-JSGCOSHPSA-N 1 2 373.365 2.669 20 5 FFBDLO COc1cc(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc([N+](=O)[O-])c1C ZINC000790489272 1002392106 /nfs/dbraw/zinc/39/21/06/1002392106.db2.gz QPUVTPDUPNNPRQ-MRXNPFEDSA-N 1 2 360.414 2.953 20 5 FFBDLO C[C@H](c1cccnc1)[NH+]1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804460364 1003671367 /nfs/dbraw/zinc/67/13/67/1003671367.db2.gz PTYCJWUVMSXAMO-CYBMUJFWSA-N 1 2 357.370 2.781 20 5 FFBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC([N@H+](C)CC(F)F)CC1 ZINC000804536601 1003723159 /nfs/dbraw/zinc/72/31/59/1003723159.db2.gz WYXDVPGCMFNMFE-UHFFFAOYSA-N 1 2 371.384 2.856 20 5 FFBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000804536601 1003723161 /nfs/dbraw/zinc/72/31/61/1003723161.db2.gz WYXDVPGCMFNMFE-UHFFFAOYSA-N 1 2 371.384 2.856 20 5 FFBDLO O=C(OC1CCC2(CC1)OCCO2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000776544389 1005912509 /nfs/dbraw/zinc/91/25/09/1005912509.db2.gz HGMZBMAQUYKGAI-UHFFFAOYSA-N 1 2 373.365 2.623 20 5 FFBDLO Cc1noc(C[N@@H+]2CCC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1[N+](=O)[O-] ZINC000852148192 1005945782 /nfs/dbraw/zinc/94/57/82/1005945782.db2.gz QGPOARTYXHQYKX-QWHCGFSZSA-N 1 2 366.418 2.723 20 5 FFBDLO Cc1noc(C[N@H+]2CCC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1[N+](=O)[O-] ZINC000852148192 1005945784 /nfs/dbraw/zinc/94/57/84/1005945784.db2.gz QGPOARTYXHQYKX-QWHCGFSZSA-N 1 2 366.418 2.723 20 5 FFBDLO CCc1ccccc1NC(=O)C[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579978 1005960293 /nfs/dbraw/zinc/96/02/93/1005960293.db2.gz TXWQDNFZKUVMMD-SFHVURJKSA-N 1 2 357.410 2.761 20 5 FFBDLO CCc1ccccc1NC(=O)C[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579978 1005960295 /nfs/dbraw/zinc/96/02/95/1005960295.db2.gz TXWQDNFZKUVMMD-SFHVURJKSA-N 1 2 357.410 2.761 20 5 FFBDLO CC[C@H](C[NH+]1CCOCC1)Nc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001187663283 1006190076 /nfs/dbraw/zinc/19/00/76/1006190076.db2.gz UKQBWWAYIDUZPY-GFCCVEGCSA-N 1 2 364.833 2.741 20 5 FFBDLO C[N@H+](C[C@@H]1CCc2ccccc21)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000853611361 1006475536 /nfs/dbraw/zinc/47/55/36/1006475536.db2.gz ZZHAHEKVSYLXMN-AWEZNQCLSA-N 1 2 365.389 2.810 20 5 FFBDLO C[N@@H+](C[C@@H]1CCc2ccccc21)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000853611361 1006475542 /nfs/dbraw/zinc/47/55/42/1006475542.db2.gz ZZHAHEKVSYLXMN-AWEZNQCLSA-N 1 2 365.389 2.810 20 5 FFBDLO Cc1noc(COC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)c1[N+](=O)[O-] ZINC000853915993 1006582629 /nfs/dbraw/zinc/58/26/29/1006582629.db2.gz IBIGWKPXNFGGNU-UHFFFAOYSA-N 1 2 366.280 2.571 20 5 FFBDLO Cc1ccc(O[C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)nc1 ZINC000858034693 1008283720 /nfs/dbraw/zinc/28/37/20/1008283720.db2.gz CLPULBYIRVBLGV-PBHICJAKSA-N 1 2 370.409 2.779 20 5 FFBDLO Cc1ccc(O[C@H]2CC[N@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)nc1 ZINC000858034693 1008283723 /nfs/dbraw/zinc/28/37/23/1008283723.db2.gz CLPULBYIRVBLGV-PBHICJAKSA-N 1 2 370.409 2.779 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]C[C@H]1CC2(CCC2)CO1)c1cccc([N+](=O)[O-])c1 ZINC000886701479 1008829905 /nfs/dbraw/zinc/82/99/05/1008829905.db2.gz QDOJIOOWUQJHPT-SJORKVTESA-N 1 2 356.426 2.967 20 5 FFBDLO NC(=O)c1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c([N+](=O)[O-])c1 ZINC000130432224 1009336726 /nfs/dbraw/zinc/33/67/26/1009336726.db2.gz BIXRPFAWJCKNHW-UHFFFAOYSA-N 1 2 370.365 2.767 20 5 FFBDLO NC(=O)c1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c([N+](=O)[O-])c1 ZINC000130432224 1009336740 /nfs/dbraw/zinc/33/67/40/1009336740.db2.gz BIXRPFAWJCKNHW-UHFFFAOYSA-N 1 2 370.365 2.767 20 5 FFBDLO C[C@@H]1C[N@@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C[C@H](C)C1(F)F ZINC000863274942 1010154482 /nfs/dbraw/zinc/15/44/82/1010154482.db2.gz VGLUQXQCNYSADT-OZVIIMIRSA-N 1 2 369.368 2.713 20 5 FFBDLO C[C@@H]1C[N@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C[C@H](C)C1(F)F ZINC000863274942 1010154491 /nfs/dbraw/zinc/15/44/91/1010154491.db2.gz VGLUQXQCNYSADT-OZVIIMIRSA-N 1 2 369.368 2.713 20 5 FFBDLO COc1cc(C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)c([N+](=O)[O-])cc1F ZINC000826690600 1010350380 /nfs/dbraw/zinc/35/03/80/1010350380.db2.gz SBSWPDSLDRZXTR-INIZCTEOSA-N 1 2 359.357 2.659 20 5 FFBDLO COc1cc(C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)c([N+](=O)[O-])cc1F ZINC000826690600 1010350389 /nfs/dbraw/zinc/35/03/89/1010350389.db2.gz SBSWPDSLDRZXTR-INIZCTEOSA-N 1 2 359.357 2.659 20 5 FFBDLO COc1cccc([C@@H]2CN(C(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)CC[NH2+]2)c1 ZINC000870152392 1012213206 /nfs/dbraw/zinc/21/32/06/1012213206.db2.gz MWZZWFJPWUWDFP-KUHUBIRLSA-N 1 2 369.421 2.880 20 5 FFBDLO C[NH+](C)[C@@H](C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1 ZINC000780094613 1020438551 /nfs/dbraw/zinc/43/85/51/1020438551.db2.gz PULRZJPERWNASO-QGZVFWFLSA-N 1 2 372.377 2.807 20 5 FFBDLO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000726621772 1020496305 /nfs/dbraw/zinc/49/63/05/1020496305.db2.gz CTCPCPIOENDNHK-UHFFFAOYSA-N 1 2 359.342 2.554 20 5 FFBDLO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000749381617 1020963657 /nfs/dbraw/zinc/96/36/57/1020963657.db2.gz HKJDHVMQBGAWPK-UHFFFAOYSA-N 1 2 362.349 2.973 20 5 FFBDLO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCN(c3cccc(F)c3F)CC2)c1 ZINC000749687205 1021020861 /nfs/dbraw/zinc/02/08/61/1021020861.db2.gz GEXHNRATVMBUAS-QGZVFWFLSA-N 1 2 363.364 2.729 20 5 FFBDLO COc1cc(C[N@@H+]2CCC[C@@H]2C2OCCO2)c([N+](=O)[O-])cc1OC(F)F ZINC000933906681 1021113468 /nfs/dbraw/zinc/11/34/68/1021113468.db2.gz MBTLCNIBHCYPRU-LLVKDONJSA-N 1 2 374.340 2.542 20 5 FFBDLO COc1cc(C[N@H+]2CCC[C@@H]2C2OCCO2)c([N+](=O)[O-])cc1OC(F)F ZINC000933906681 1021113473 /nfs/dbraw/zinc/11/34/73/1021113473.db2.gz MBTLCNIBHCYPRU-LLVKDONJSA-N 1 2 374.340 2.542 20 5 FFBDLO COc1cc(C[N@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)cc(OC)c1 ZINC000749942618 1021151092 /nfs/dbraw/zinc/15/10/92/1021151092.db2.gz CCJANSZSDBMKPG-UHFFFAOYSA-N 1 2 371.397 2.755 20 5 FFBDLO COc1cc(C[N@@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)cc(OC)c1 ZINC000749942618 1021151093 /nfs/dbraw/zinc/15/10/93/1021151093.db2.gz CCJANSZSDBMKPG-UHFFFAOYSA-N 1 2 371.397 2.755 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC001120687131 1023423465 /nfs/dbraw/zinc/42/34/65/1023423465.db2.gz JSKDBGXGJJFPHW-MRXNPFEDSA-N 1 2 359.357 2.529 20 5 FFBDLO CN(C)c1cc(COC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc[nH+]1 ZINC000755884774 1023646354 /nfs/dbraw/zinc/64/63/54/1023646354.db2.gz CXXRNLBRWQGBHQ-UHFFFAOYSA-N 1 2 354.366 2.823 20 5 FFBDLO O=C(NCC[NH+]1Cc2ccccc2C1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000757017900 1023779787 /nfs/dbraw/zinc/77/97/87/1023779787.db2.gz RITIZRZTVVRLIR-UHFFFAOYSA-N 1 2 366.421 2.678 20 5 FFBDLO Cc1nn(C[N@H+](C)CCNC(=O)OC(C)(C)C)c2ccc([N+](=O)[O-])cc12 ZINC000840158091 1026989588 /nfs/dbraw/zinc/98/95/88/1026989588.db2.gz VGOXDOMUSLNHPT-UHFFFAOYSA-N 1 2 363.418 2.667 20 5 FFBDLO Cc1nn(C[N@@H+](C)CCNC(=O)OC(C)(C)C)c2ccc([N+](=O)[O-])cc12 ZINC000840158091 1026989590 /nfs/dbraw/zinc/98/95/90/1026989590.db2.gz VGOXDOMUSLNHPT-UHFFFAOYSA-N 1 2 363.418 2.667 20 5 FFBDLO Cn1nccc1C1=CC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000795656040 1027525039 /nfs/dbraw/zinc/52/50/39/1027525039.db2.gz NUGZWQXOMURWJR-UHFFFAOYSA-N 1 2 364.409 2.939 20 5 FFBDLO Cn1nccc1C1=CC[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000795656040 1027525050 /nfs/dbraw/zinc/52/50/50/1027525050.db2.gz NUGZWQXOMURWJR-UHFFFAOYSA-N 1 2 364.409 2.939 20 5 FFBDLO Cc1nc(Cl)c([N+](=O)[O-])c(N[C@H](C[NH+]2CCOCC2)C(C)(C)C)n1 ZINC001162877819 1028691249 /nfs/dbraw/zinc/69/12/49/1028691249.db2.gz RKWYMFTUWUIZMI-LLVKDONJSA-N 1 2 357.842 2.505 20 5 FFBDLO CC1(C)C[N@@H+](C2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C2)CCO1 ZINC001165129076 1029410554 /nfs/dbraw/zinc/41/05/54/1029410554.db2.gz ZSIJCFRDGBKNQV-UHFFFAOYSA-N 1 2 368.437 2.956 20 5 FFBDLO CC1(C)C[N@H+](C2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C2)CCO1 ZINC001165129076 1029410563 /nfs/dbraw/zinc/41/05/63/1029410563.db2.gz ZSIJCFRDGBKNQV-UHFFFAOYSA-N 1 2 368.437 2.956 20 5 FFBDLO COC(=O)c1ccc(COC2C[NH+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001223409393 1033433476 /nfs/dbraw/zinc/43/34/76/1033433476.db2.gz ABJXWTBGOCJGOG-UHFFFAOYSA-N 1 2 356.378 2.782 20 5 FFBDLO CC[C@@H](OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@@H](C)C(=O)OC ZINC000836113809 1036245882 /nfs/dbraw/zinc/24/58/82/1036245882.db2.gz JIFWAXLNUGQEHO-IAQYHMDHSA-N 1 2 361.354 2.525 20 5 FFBDLO C[C@H](Oc1cc([N+](=O)[O-])ccc1O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001229396693 1036649583 /nfs/dbraw/zinc/64/95/83/1036649583.db2.gz WPKKCSCERXZHIX-IFXJQAMLSA-N 1 2 358.394 2.969 20 5 FFBDLO C[C@H](Oc1cc([N+](=O)[O-])ccc1O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001229396693 1036649596 /nfs/dbraw/zinc/64/95/96/1036649596.db2.gz WPKKCSCERXZHIX-IFXJQAMLSA-N 1 2 358.394 2.969 20 5 FFBDLO C[NH+]1CCC(Oc2cc(O)cc3oc4c(O)ccc(O)c4c(=O)c23)CC1 ZINC001234118038 1036924327 /nfs/dbraw/zinc/92/43/27/1036924327.db2.gz BDWFXAQLXPWILP-UHFFFAOYSA-N 1 2 357.362 2.536 20 5 FFBDLO [NH3+][C@@H](Cc1nn[nH]n1)c1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001247301257 1039699911 /nfs/dbraw/zinc/69/99/11/1039699911.db2.gz BGRRCTHGEORUPG-INIZCTEOSA-N 1 2 357.377 2.799 20 5 FFBDLO Cc1ccc2[nH+]c(Cc3nc(-c4ncc(F)cc4[N+](=O)[O-])no3)cn2c1 ZINC001249024373 1040555723 /nfs/dbraw/zinc/55/57/23/1040555723.db2.gz RIQVEIVDPUNDNL-UHFFFAOYSA-N 1 2 354.301 2.726 20 5 FFBDLO CC(=O)O[C@H](C)[C@H]([NH3+])c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001249268743 1040660199 /nfs/dbraw/zinc/66/01/99/1040660199.db2.gz RSRKADLIVJFHLP-BMIGLBTASA-N 1 2 363.377 2.784 20 5 FFBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)Cc2ccccc2)CC1 ZINC001254567528 1040805678 /nfs/dbraw/zinc/80/56/78/1040805678.db2.gz WETKRMBPYGERGR-QGZVFWFLSA-N 1 2 367.449 2.913 20 5 FFBDLO COc1ccc(C[NH+]2CCN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)cc1 ZINC001254598020 1040828040 /nfs/dbraw/zinc/82/80/40/1040828040.db2.gz GNBMOTDYZIUYQE-FQEVSTJZSA-N 1 2 367.449 2.888 20 5 FFBDLO O=C(c1ccc(F)cc1)N1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254599964 1040830249 /nfs/dbraw/zinc/83/02/49/1040830249.db2.gz NHPHXBYLMYOKCJ-IBGZPJMESA-N 1 2 369.396 2.659 20 5 FFBDLO O=C1Nc2ccccc2CN1C1C[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254605764 1040835192 /nfs/dbraw/zinc/83/51/92/1040835192.db2.gz DJHIOXMKILSBMM-KRWDZBQOSA-N 1 2 364.405 2.794 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2CC(C)C)cc1C ZINC001213834741 1040975524 /nfs/dbraw/zinc/97/55/24/1040975524.db2.gz SXWQMJWXXBCQLH-OAHLLOKOSA-N 1 2 369.487 2.562 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@H+](C)C[C@H]2CC(C)C)cc1C ZINC001213834741 1040975545 /nfs/dbraw/zinc/97/55/45/1040975545.db2.gz SXWQMJWXXBCQLH-OAHLLOKOSA-N 1 2 369.487 2.562 20 5 FFBDLO C[C@@H](C(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)n1cc[nH+]c1 ZINC001261364731 1041186279 /nfs/dbraw/zinc/18/62/79/1041186279.db2.gz TUGSMHISHZCHRE-UFBFGSQYSA-N 1 2 360.267 2.911 20 5 FFBDLO CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC001317939985 1045175654 /nfs/dbraw/zinc/17/56/54/1045175654.db2.gz GEKVMTMWFVQVAW-UHFFFAOYSA-N 1 2 369.425 2.952 20 5 FFBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1Br)C[C@H]1CCC(=O)N1 ZINC001326008360 1046720900 /nfs/dbraw/zinc/72/09/00/1046720900.db2.gz UDTBCJFZEUXJSK-GFCCVEGCSA-N 1 2 370.247 2.846 20 5 FFBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1Br)C[C@H]1CCC(=O)N1 ZINC001326008360 1046720915 /nfs/dbraw/zinc/72/09/15/1046720915.db2.gz UDTBCJFZEUXJSK-GFCCVEGCSA-N 1 2 370.247 2.846 20 5 FFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@](O)(C(F)F)C2)c(Br)c1 ZINC001327999379 1048129498 /nfs/dbraw/zinc/12/94/98/1048129498.db2.gz FYTZGPOAJMMWLH-LBPRGKRZSA-N 1 2 351.147 2.559 20 5 FFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@](O)(C(F)F)C2)c(Br)c1 ZINC001327999379 1048129502 /nfs/dbraw/zinc/12/95/02/1048129502.db2.gz FYTZGPOAJMMWLH-LBPRGKRZSA-N 1 2 351.147 2.559 20 5 FFBDLO CN(C)c1cc[nH+]c(CNc2ncc(Br)cc2[N+](=O)[O-])c1 ZINC001307210553 1050059547 /nfs/dbraw/zinc/05/95/47/1050059547.db2.gz PRMJADOVNBLYMN-UHFFFAOYSA-N 1 2 352.192 2.825 20 5 FFBDLO Nc1c(C(=O)NCc2[nH]c3c([nH+]2)CCCC3)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001304055805 1051516747 /nfs/dbraw/zinc/51/67/47/1051516747.db2.gz IAMWYCBAEVLECX-UHFFFAOYSA-N 1 2 367.768 2.501 20 5 FFBDLO COc1ccc(C[NH+]2CCC(CN=S(C)(C)=O)CC2)cc1[N+](=O)[O-] ZINC001308094416 1052405164 /nfs/dbraw/zinc/40/51/64/1052405164.db2.gz ZPSZMYZBBFJRJY-UHFFFAOYSA-N 1 2 355.460 2.543 20 5 FFBDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001543798686 1071547107 /nfs/dbraw/zinc/54/71/07/1071547107.db2.gz JIPNFKYGFLRMAX-ZDUSSCGKSA-N 1 2 365.821 2.872 20 5 FFBDLO Cc1cn2cc(NC(=O)c3ccc([N+](=O)[O-])c(-n4ccnc4)c3)ccc2[nH+]1 ZINC001357171909 1055804944 /nfs/dbraw/zinc/80/49/44/1055804944.db2.gz YUUGTKYJONUHTR-UHFFFAOYSA-N 1 2 362.349 2.989 20 5 FFBDLO C[C@@H]1C[N@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)CC2(CCCC2)O1 ZINC000848490301 1060146672 /nfs/dbraw/zinc/14/66/72/1060146672.db2.gz YMIJWDRAYNNZBA-QAPCUYQASA-N 1 2 373.453 2.902 20 5 FFBDLO C[C@@H]1C[N@@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)CC2(CCCC2)O1 ZINC000848490301 1060146677 /nfs/dbraw/zinc/14/66/77/1060146677.db2.gz YMIJWDRAYNNZBA-QAPCUYQASA-N 1 2 373.453 2.902 20 5 FFBDLO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@@H](OC3CCC3)C2)nc1-c1ccncc1 ZINC000848498927 1060174998 /nfs/dbraw/zinc/17/49/98/1060174998.db2.gz UPVSHQSEKXHEDQ-MRXNPFEDSA-N 1 2 357.414 2.844 20 5 FFBDLO O=[N+]([O-])c1cn(C[N@H+]2CCC[C@@H](OC3CCC3)C2)nc1-c1ccncc1 ZINC000848498927 1060175006 /nfs/dbraw/zinc/17/50/06/1060175006.db2.gz UPVSHQSEKXHEDQ-MRXNPFEDSA-N 1 2 357.414 2.844 20 5 FFBDLO COc1ccc(NC(=O)NCc2[nH+]cc(C)c(OC)c2C)c([N+](=O)[O-])c1 ZINC001517709849 1060603394 /nfs/dbraw/zinc/60/33/94/1060603394.db2.gz TVWAWABZRBRVRN-UHFFFAOYSA-N 1 2 360.370 2.946 20 5 FFBDLO Cc1cc(C)c(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)c[nH+]1 ZINC001528920095 1062093962 /nfs/dbraw/zinc/09/39/62/1062093962.db2.gz LYLAFCJVXRLILP-UHFFFAOYSA-N 1 2 357.366 2.698 20 5 FFBDLO CCOc1cc(NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC001466990306 1063611207 /nfs/dbraw/zinc/61/12/07/1063611207.db2.gz FVEURJRFGRKOTQ-LBPRGKRZSA-N 1 2 359.386 2.748 20 5 FFBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](c3ncccn3)C2)cccc1[N+](=O)[O-] ZINC001473831867 1065381132 /nfs/dbraw/zinc/38/11/32/1065381132.db2.gz DUCCRUZNRZBDSO-ZIAGYGMSSA-N 1 2 355.398 2.510 20 5 FFBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](c3ncccn3)C2)cccc1[N+](=O)[O-] ZINC001473831867 1065381143 /nfs/dbraw/zinc/38/11/43/1065381143.db2.gz DUCCRUZNRZBDSO-ZIAGYGMSSA-N 1 2 355.398 2.510 20 5 FFBDLO Cc1[nH]nc2ncc(NC(=O)c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)cc12 ZINC001583290515 1079188383 /nfs/dbraw/zinc/18/83/83/1079188383.db2.gz HSTSGSAFEKFLRQ-UHFFFAOYSA-N 1 2 363.337 2.613 20 5 FFBDLO CCc1ccc(S(=O)(=O)N2CC[N@H+](C)C[C@@H]2CC(C)C)cc1[N+](=O)[O-] ZINC001561957352 1076453596 /nfs/dbraw/zinc/45/35/96/1076453596.db2.gz ACIPVBRZCZVRJW-HNNXBMFYSA-N 1 2 369.487 2.508 20 5 FFBDLO CCc1ccc(S(=O)(=O)N2CC[N@@H+](C)C[C@@H]2CC(C)C)cc1[N+](=O)[O-] ZINC001561957352 1076453600 /nfs/dbraw/zinc/45/36/00/1076453600.db2.gz ACIPVBRZCZVRJW-HNNXBMFYSA-N 1 2 369.487 2.508 20 5 FFBDLO O=C(N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)c1ccc([N+](=O)[O-])[nH]1 ZINC001568174645 1077076145 /nfs/dbraw/zinc/07/61/45/1077076145.db2.gz DSKONDSBLFYYDR-GFCCVEGCSA-N 1 2 357.414 2.981 20 5 FFBDLO O=C(N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)c1ccc([N+](=O)[O-])[nH]1 ZINC001568174645 1077076151 /nfs/dbraw/zinc/07/61/51/1077076151.db2.gz DSKONDSBLFYYDR-GFCCVEGCSA-N 1 2 357.414 2.981 20 5 FFBDLO CCc1cnc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)s1 ZINC001587172087 1079749704 /nfs/dbraw/zinc/74/97/04/1079749704.db2.gz YRQAHTTXGCLTAY-UHFFFAOYSA-N 1 2 357.395 2.729 20 5 FFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000093612275 250038416 /nfs/dbraw/zinc/03/84/16/250038416.db2.gz RRDQBQLHXKAPQJ-LBPRGKRZSA-N 1 2 356.247 2.695 20 5 FFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000093612275 250038420 /nfs/dbraw/zinc/03/84/20/250038420.db2.gz RRDQBQLHXKAPQJ-LBPRGKRZSA-N 1 2 356.247 2.695 20 5 FFBDLO COc1cc(C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C2CC2)ccc1O ZINC000102175513 250103255 /nfs/dbraw/zinc/10/32/55/250103255.db2.gz RFSNSJZOOJCAKA-UHFFFAOYSA-N 1 2 371.393 2.573 20 5 FFBDLO COc1cc(C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C2CC2)ccc1O ZINC000102175513 250103260 /nfs/dbraw/zinc/10/32/60/250103260.db2.gz RFSNSJZOOJCAKA-UHFFFAOYSA-N 1 2 371.393 2.573 20 5 FFBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000016210102 206746330 /nfs/dbraw/zinc/74/63/30/206746330.db2.gz KWTJVEILYBEACV-UHFFFAOYSA-N 1 2 356.725 2.692 20 5 FFBDLO CC(C)(NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000153211721 251114004 /nfs/dbraw/zinc/11/40/04/251114004.db2.gz YCQMQYAZASFHBJ-OAHLLOKOSA-N 1 2 369.425 2.803 20 5 FFBDLO CC(C)C(=O)N1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000153475547 251141862 /nfs/dbraw/zinc/14/18/62/251141862.db2.gz VCAJFTJVJRAHDJ-UHFFFAOYSA-N 1 2 372.425 2.940 20 5 FFBDLO CC(C)C(=O)N1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000153475547 251141864 /nfs/dbraw/zinc/14/18/64/251141864.db2.gz VCAJFTJVJRAHDJ-UHFFFAOYSA-N 1 2 372.425 2.940 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000153516491 251146290 /nfs/dbraw/zinc/14/62/90/251146290.db2.gz CUALQCHDLLVHDT-OAHLLOKOSA-N 1 2 362.817 2.956 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000153516491 251146293 /nfs/dbraw/zinc/14/62/93/251146293.db2.gz CUALQCHDLLVHDT-OAHLLOKOSA-N 1 2 362.817 2.956 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1C ZINC000268776372 251380297 /nfs/dbraw/zinc/38/02/97/251380297.db2.gz HECCSMXTCJKMKH-UHFFFAOYSA-N 1 2 364.427 2.503 20 5 FFBDLO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1c(F)cccc1F ZINC000273141891 252229487 /nfs/dbraw/zinc/22/94/87/252229487.db2.gz KIAHLBRILVZCLL-NSHDSACASA-N 1 2 370.377 2.998 20 5 FFBDLO COCCO[C@@H]1CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000276329529 256090197 /nfs/dbraw/zinc/09/01/97/256090197.db2.gz XTTQBBLGCTYFHC-GFCCVEGCSA-N 1 2 359.220 2.595 20 5 FFBDLO COCCO[C@@H]1CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000276329529 256090199 /nfs/dbraw/zinc/09/01/99/256090199.db2.gz XTTQBBLGCTYFHC-GFCCVEGCSA-N 1 2 359.220 2.595 20 5 FFBDLO CCc1cc(N2CC[C@@H](C)[S@](=O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000277219673 256173822 /nfs/dbraw/zinc/17/38/22/256173822.db2.gz RMXKOWKHVTYVLD-ZBSNKRKSSA-N 1 2 374.466 2.962 20 5 FFBDLO CCc1cc(N2CC[S@](=O)C[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000277564742 256211919 /nfs/dbraw/zinc/21/19/19/256211919.db2.gz ARUZJMCWZJOGRS-NRRJATNASA-N 1 2 374.466 2.819 20 5 FFBDLO Cc1cc(C[NH+]2CCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])CC2)on1 ZINC000278433534 256312062 /nfs/dbraw/zinc/31/20/62/256312062.db2.gz PWSZVQRNQOWENZ-UHFFFAOYSA-N 1 2 371.319 2.627 20 5 FFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC000278900837 256360204 /nfs/dbraw/zinc/36/02/04/256360204.db2.gz QYVDCTQBACVIFR-ZDUSSCGKSA-N 1 2 372.385 2.878 20 5 FFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC000278900837 256360206 /nfs/dbraw/zinc/36/02/06/256360206.db2.gz QYVDCTQBACVIFR-ZDUSSCGKSA-N 1 2 372.385 2.878 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000287066028 257069941 /nfs/dbraw/zinc/06/99/41/257069941.db2.gz HPQZDHHMFFULCA-CABCVRRESA-N 1 2 362.430 2.539 20 5 FFBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@@H]2c2nnc(CC(F)(F)F)o2)n1 ZINC000287588593 257097315 /nfs/dbraw/zinc/09/73/15/257097315.db2.gz YEUIUZDAPVSANW-SNVBAGLBSA-N 1 2 374.323 2.506 20 5 FFBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@@H]2c2nnc(CC(F)(F)F)o2)n1 ZINC000287588593 257097316 /nfs/dbraw/zinc/09/73/16/257097316.db2.gz YEUIUZDAPVSANW-SNVBAGLBSA-N 1 2 374.323 2.506 20 5 FFBDLO COCc1cccc(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000293169428 257534780 /nfs/dbraw/zinc/53/47/80/257534780.db2.gz PDFLNYFQIASYDL-UHFFFAOYSA-N 1 2 369.421 2.699 20 5 FFBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000297299028 257813110 /nfs/dbraw/zinc/81/31/10/257813110.db2.gz AHKZGWKEBFKBOF-UHFFFAOYSA-N 1 2 365.393 2.967 20 5 FFBDLO O=C(Nc1ccccc1C[NH+]1CCOCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000299707152 258018253 /nfs/dbraw/zinc/01/82/53/258018253.db2.gz RIIUAQTYWSCFJM-UHFFFAOYSA-N 1 2 359.357 2.818 20 5 FFBDLO CC(=O)c1ccc(N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000302385998 258100632 /nfs/dbraw/zinc/10/06/32/258100632.db2.gz CNGQJMWXKAKDER-CKEIUWERSA-N 1 2 361.442 2.875 20 5 FFBDLO Cc1ccc([C@H](CNc2c3c(ccc2[N+](=O)[O-])NCC3)[NH+]2CCOCC2)o1 ZINC000302444169 258101665 /nfs/dbraw/zinc/10/16/65/258101665.db2.gz NQWKSKUDJAMIRC-KRWDZBQOSA-N 1 2 372.425 2.950 20 5 FFBDLO COc1cc(C[NH+]2CCN(c3nccc(C)c3[N+](=O)[O-])CC2)cc(OC)c1 ZINC000301471205 258050973 /nfs/dbraw/zinc/05/09/73/258050973.db2.gz JNDZKJZFJRGBSY-UHFFFAOYSA-N 1 2 372.425 2.638 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](CC(=O)N(C)C3CCCCC3)CC2)c1 ZINC000301589923 258057772 /nfs/dbraw/zinc/05/77/72/258057772.db2.gz YILWMEIBDKGUAU-UHFFFAOYSA-N 1 2 374.485 2.816 20 5 FFBDLO CC(C)(C)[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1O ZINC000330856204 258172047 /nfs/dbraw/zinc/17/20/47/258172047.db2.gz NNMOEOCOZBFXRG-IUODEOHRSA-N 1 2 369.849 2.916 20 5 FFBDLO CC(C)(C)[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1O ZINC000330856204 258172048 /nfs/dbraw/zinc/17/20/48/258172048.db2.gz NNMOEOCOZBFXRG-IUODEOHRSA-N 1 2 369.849 2.916 20 5 FFBDLO Cc1cc(N2CC[S@@](=O)CC[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000373030001 512139897 /nfs/dbraw/zinc/13/98/97/512139897.db2.gz OHYIPGUSHSXKGN-CANCMXDXSA-N 1 2 360.439 2.708 20 5 FFBDLO Cc1cn2c([nH+]1)[C@@H](CNc1ccc(C(=O)NC3CC3)cc1[N+](=O)[O-])CCC2 ZINC000366689951 512142599 /nfs/dbraw/zinc/14/25/99/512142599.db2.gz SNWKKOSZQOYIMU-CQSZACIVSA-N 1 2 369.425 2.981 20 5 FFBDLO C[N@@H+]1CCc2nc(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)sc2C1 ZINC000065875044 506385468 /nfs/dbraw/zinc/38/54/68/506385468.db2.gz SLIAUQRHOJEVOE-UHFFFAOYSA-N 1 2 371.422 2.633 20 5 FFBDLO C[N@H+]1CCc2nc(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)sc2C1 ZINC000065875044 506385471 /nfs/dbraw/zinc/38/54/71/506385471.db2.gz SLIAUQRHOJEVOE-UHFFFAOYSA-N 1 2 371.422 2.633 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000007267178 506547771 /nfs/dbraw/zinc/54/77/71/506547771.db2.gz IUEKHRGTNTZWFB-ZIAGYGMSSA-N 1 2 371.393 2.694 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000007267178 506547780 /nfs/dbraw/zinc/54/77/80/506547780.db2.gz IUEKHRGTNTZWFB-ZIAGYGMSSA-N 1 2 371.393 2.694 20 5 FFBDLO COc1ccc(Cl)cc1C[NH+]1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000066808269 506648701 /nfs/dbraw/zinc/64/87/01/506648701.db2.gz XJECCDLJALNNNK-UHFFFAOYSA-N 1 2 362.817 2.974 20 5 FFBDLO O=C(Cc1ccccc1F)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000066867692 506673482 /nfs/dbraw/zinc/67/34/82/506673482.db2.gz KARMVBXQBKNVAT-UHFFFAOYSA-N 1 2 357.385 2.621 20 5 FFBDLO CO[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000056468537 507022398 /nfs/dbraw/zinc/02/23/98/507022398.db2.gz FGTZDYPOAVGYIG-SFHVURJKSA-N 1 2 366.377 2.898 20 5 FFBDLO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H]1COc2ccccc2O1 ZINC000015297050 507029473 /nfs/dbraw/zinc/02/94/73/507029473.db2.gz ZPQUKLCTBDYOBZ-INIZCTEOSA-N 1 2 372.377 2.733 20 5 FFBDLO 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Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000080540357 508082508 /nfs/dbraw/zinc/08/25/08/508082508.db2.gz YFRLSDHCDZIOMG-UHFFFAOYSA-N 1 2 351.410 2.873 20 5 FFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C(=O)c2ccccc2O)CC1 ZINC000080930114 508113565 /nfs/dbraw/zinc/11/35/65/508113565.db2.gz GRMNZEFTYAKTFG-AWEZNQCLSA-N 1 2 355.394 2.819 20 5 FFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)c2ccccc2O)CC1 ZINC000080930231 508114296 /nfs/dbraw/zinc/11/42/96/508114296.db2.gz GDGDFKNZKUMDEQ-CQSZACIVSA-N 1 2 355.394 2.819 20 5 FFBDLO COc1ccccc1CN(C)C(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607741 508378650 /nfs/dbraw/zinc/37/86/50/508378650.db2.gz IJKWBJUUJCMIAE-UHFFFAOYSA-N 1 2 369.421 2.620 20 5 FFBDLO COc1ccccc1CN(C)C(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607741 508378653 /nfs/dbraw/zinc/37/86/53/508378653.db2.gz IJKWBJUUJCMIAE-UHFFFAOYSA-N 1 2 369.421 2.620 20 5 FFBDLO COc1cccc(CNC(=O)[C@@H](C)[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000088606362 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ZLFRFTVEYGXYGZ-CYBMUJFWSA-N 1 2 357.385 2.797 20 5 FFBDLO C[C@H](C(=O)NCc1ccccc1F)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153231507 508561837 /nfs/dbraw/zinc/56/18/37/508561837.db2.gz ZLFRFTVEYGXYGZ-CYBMUJFWSA-N 1 2 357.385 2.797 20 5 FFBDLO COC(=O)C1([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCCCC1 ZINC000128669122 508626833 /nfs/dbraw/zinc/62/68/33/508626833.db2.gz MFQAGRDGEZUKTP-UHFFFAOYSA-N 1 2 367.377 2.528 20 5 FFBDLO Cc1c(CC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)cccc1[N+](=O)[O-] ZINC000123246223 508657905 /nfs/dbraw/zinc/65/79/05/508657905.db2.gz BPGIQTFAFIFMKW-MRXNPFEDSA-N 1 2 368.437 2.746 20 5 FFBDLO CN1CC[NH+](Cc2cccc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])c2)CC1 ZINC000124186342 508794027 /nfs/dbraw/zinc/79/40/27/508794027.db2.gz HJMYMIDGEAAMAH-UHFFFAOYSA-N 1 2 372.400 2.734 20 5 FFBDLO O=C(NCCCNc1cccc[nH+]1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000124459287 508835173 /nfs/dbraw/zinc/83/51/73/508835173.db2.gz SZYIVAUUCRIAGI-UHFFFAOYSA-N 1 2 355.398 2.560 20 5 FFBDLO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000131073060 508883778 /nfs/dbraw/zinc/88/37/78/508883778.db2.gz PNEWTYWGXKEJIW-BGJPBQGDSA-N 1 2 353.469 2.917 20 5 FFBDLO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000131073060 508883780 /nfs/dbraw/zinc/88/37/80/508883780.db2.gz PNEWTYWGXKEJIW-BGJPBQGDSA-N 1 2 353.469 2.917 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](OCC(C)C)C2)c([N+](=O)[O-])c1 ZINC000120102257 508928633 /nfs/dbraw/zinc/92/86/33/508928633.db2.gz OOUSCZZCMXIANX-DZGCQCFKSA-N 1 2 365.430 2.677 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](OCC(C)C)C2)c([N+](=O)[O-])c1 ZINC000120102257 508928637 /nfs/dbraw/zinc/92/86/37/508928637.db2.gz OOUSCZZCMXIANX-DZGCQCFKSA-N 1 2 365.430 2.677 20 5 FFBDLO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000120115245 508931660 /nfs/dbraw/zinc/93/16/60/508931660.db2.gz UBZKQMJKCMGZDX-INIZCTEOSA-N 1 2 366.381 2.871 20 5 FFBDLO COc1cc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])cc1OC ZINC000125345285 508969525 /nfs/dbraw/zinc/96/95/25/508969525.db2.gz JRILVKXZSJCUKH-DOMZBBRYSA-N 1 2 374.397 2.532 20 5 FFBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000120639183 509036993 /nfs/dbraw/zinc/03/69/93/509036993.db2.gz ZJGXAFUEPLUCKW-CQSZACIVSA-N 1 2 374.466 2.902 20 5 FFBDLO C[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC000126526667 509091019 /nfs/dbraw/zinc/09/10/19/509091019.db2.gz QSIOOUDYSLYKRE-JTQLQIEISA-N 1 2 367.203 2.620 20 5 FFBDLO Cc1c(CC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cccc1[N+](=O)[O-] ZINC000133175747 509127268 /nfs/dbraw/zinc/12/72/68/509127268.db2.gz CFMUIHVUMUDHGQ-OAHLLOKOSA-N 1 2 356.426 2.661 20 5 FFBDLO Cc1c(CC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cccc1[N+](=O)[O-] ZINC000133175937 509127328 /nfs/dbraw/zinc/12/73/28/509127328.db2.gz CFMUIHVUMUDHGQ-HNNXBMFYSA-N 1 2 356.426 2.661 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1C ZINC000121398425 509171831 /nfs/dbraw/zinc/17/18/31/509171831.db2.gz TZMYHELCZWPUFW-CQSZACIVSA-N 1 2 364.427 2.851 20 5 FFBDLO COCCn1c2ccccc2[nH+]c1NCc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000185843769 509381830 /nfs/dbraw/zinc/38/18/30/509381830.db2.gz AOMGCMMIVABLGD-UHFFFAOYSA-N 1 2 372.381 2.917 20 5 FFBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000192259254 509430619 /nfs/dbraw/zinc/43/06/19/509430619.db2.gz DNEQXSGIWBDCLV-UHFFFAOYSA-N 1 2 359.430 2.797 20 5 FFBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000192339673 509470220 /nfs/dbraw/zinc/47/02/20/509470220.db2.gz FJNTUCXZIIANOW-UHFFFAOYSA-N 1 2 359.430 2.976 20 5 FFBDLO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000192494537 509539577 /nfs/dbraw/zinc/53/95/77/509539577.db2.gz YOFBJUAXNKFDMP-KRWDZBQOSA-N 1 2 373.457 2.913 20 5 FFBDLO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000192498906 509540876 /nfs/dbraw/zinc/54/08/76/509540876.db2.gz CTXDORHTQAOMTO-CHWSQXEVSA-N 1 2 374.445 2.740 20 5 FFBDLO Nc1ccc([N+](=O)[O-])c(NC[C@@H](c2ccc(F)cc2)[NH+]2CCOCC2)c1 ZINC000192764271 509635757 /nfs/dbraw/zinc/63/57/57/509635757.db2.gz IVVMGMIGHFVXCZ-SFHVURJKSA-N 1 2 360.389 2.802 20 5 FFBDLO Nc1ccc([N+](=O)[O-])c(NCc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC000192784483 509644106 /nfs/dbraw/zinc/64/41/06/509644106.db2.gz CVQLOBDASFUSCS-UHFFFAOYSA-N 1 2 372.425 2.500 20 5 FFBDLO CCc1[nH]nc(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)c1[N+](=O)[O-] ZINC000264694057 509652144 /nfs/dbraw/zinc/65/21/44/509652144.db2.gz UOIJHPPOUVPQOX-LBPRGKRZSA-N 1 2 373.413 2.526 20 5 FFBDLO COc1cc(NCc2ccc(N3CCOCC3)[nH+]c2)c([N+](=O)[O-])cc1F ZINC000268151001 509781536 /nfs/dbraw/zinc/78/15/36/509781536.db2.gz KUOUWFZICQLAMR-UHFFFAOYSA-N 1 2 362.361 2.586 20 5 FFBDLO COc1ccccc1N1CC[C@@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000176967506 509788872 /nfs/dbraw/zinc/78/88/72/509788872.db2.gz WTERLTZWZPIFHG-QGZVFWFLSA-N 1 2 355.394 2.841 20 5 FFBDLO COc1ccccc1N1CC[C@@H]([N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000176967506 509788881 /nfs/dbraw/zinc/78/88/81/509788881.db2.gz WTERLTZWZPIFHG-QGZVFWFLSA-N 1 2 355.394 2.841 20 5 FFBDLO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000252187878 509834419 /nfs/dbraw/zinc/83/44/19/509834419.db2.gz RDQHCDDPQVHQMO-IKGGRYGDSA-N 1 2 374.485 2.800 20 5 FFBDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)c1cc2ccccc2c2cccnc12 ZINC000170953676 509869115 /nfs/dbraw/zinc/86/91/15/509869115.db2.gz RNFWTRNDNQZTGS-INIZCTEOSA-N 1 2 362.477 2.754 20 5 FFBDLO Nc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000180665691 510043300 /nfs/dbraw/zinc/04/33/00/510043300.db2.gz OPBHUAHNYMDXHX-UHFFFAOYSA-N 1 2 369.425 2.882 20 5 FFBDLO CC(C)CN1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1=O ZINC000187105062 510057758 /nfs/dbraw/zinc/05/77/58/510057758.db2.gz SEJWKHFOHNZMGS-UHFFFAOYSA-N 1 2 372.425 2.593 20 5 FFBDLO CC(C)CN1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1=O ZINC000187105062 510057768 /nfs/dbraw/zinc/05/77/68/510057768.db2.gz SEJWKHFOHNZMGS-UHFFFAOYSA-N 1 2 372.425 2.593 20 5 FFBDLO Cc1cc(N2CC[S@](=O)[C@H](C)[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000265664897 510163796 /nfs/dbraw/zinc/16/37/96/510163796.db2.gz YBJMQZHQZKKQNY-DSGZJRDPSA-N 1 2 360.439 2.706 20 5 FFBDLO COc1cc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)ccc1C ZINC000193994575 510167852 /nfs/dbraw/zinc/16/78/52/510167852.db2.gz BWVIRTYXDQXHFU-UHFFFAOYSA-N 1 2 369.421 2.870 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1nc(C)cs1 ZINC000184183496 510179958 /nfs/dbraw/zinc/17/99/58/510179958.db2.gz JHKUMWBTDJOIJY-SNVBAGLBSA-N 1 2 350.400 2.658 20 5 FFBDLO C[N@@H+]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C2(CCCCC2)C1 ZINC000174569931 510186216 /nfs/dbraw/zinc/18/62/16/510186216.db2.gz RYZYOLBZYNQHRV-UHFFFAOYSA-N 1 2 357.414 2.562 20 5 FFBDLO C[N@H+]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C2(CCCCC2)C1 ZINC000174569931 510186223 /nfs/dbraw/zinc/18/62/23/510186223.db2.gz RYZYOLBZYNQHRV-UHFFFAOYSA-N 1 2 357.414 2.562 20 5 FFBDLO COc1ccc(C[N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1O ZINC000174626269 510214636 /nfs/dbraw/zinc/21/46/36/510214636.db2.gz WKCFKDRAJINVCW-UHFFFAOYSA-N 1 2 370.365 2.991 20 5 FFBDLO COc1ccc(C[N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1O ZINC000174626269 510214638 /nfs/dbraw/zinc/21/46/38/510214638.db2.gz WKCFKDRAJINVCW-UHFFFAOYSA-N 1 2 370.365 2.991 20 5 FFBDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184252397 510218861 /nfs/dbraw/zinc/21/88/61/510218861.db2.gz GYCGCLAIWVCFGA-CQSZACIVSA-N 1 2 353.394 2.575 20 5 FFBDLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184252397 510218867 /nfs/dbraw/zinc/21/88/67/510218867.db2.gz GYCGCLAIWVCFGA-CQSZACIVSA-N 1 2 353.394 2.575 20 5 FFBDLO COc1cc(C[N@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c([N+](=O)[O-])cc1F ZINC000184262815 510226258 /nfs/dbraw/zinc/22/62/58/510226258.db2.gz OJEMVBMCMXVZAO-CJNGLKHVSA-N 1 2 374.434 2.530 20 5 FFBDLO COc1cc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c([N+](=O)[O-])cc1F ZINC000184262815 510226263 /nfs/dbraw/zinc/22/62/63/510226263.db2.gz OJEMVBMCMXVZAO-CJNGLKHVSA-N 1 2 374.434 2.530 20 5 FFBDLO CC[C@]1(CO)CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000187563839 510333430 /nfs/dbraw/zinc/33/34/30/510333430.db2.gz BIKABDIUEDHMQN-INIZCTEOSA-N 1 2 355.822 2.671 20 5 FFBDLO CC[C@]1(CO)CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000187563839 510333440 /nfs/dbraw/zinc/33/34/40/510333440.db2.gz BIKABDIUEDHMQN-INIZCTEOSA-N 1 2 355.822 2.671 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000184625118 510425493 /nfs/dbraw/zinc/42/54/93/510425493.db2.gz DHNWBWQAOQEISR-UHFFFAOYSA-N 1 2 373.384 2.788 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000184625118 510425500 /nfs/dbraw/zinc/42/55/00/510425500.db2.gz DHNWBWQAOQEISR-UHFFFAOYSA-N 1 2 373.384 2.788 20 5 FFBDLO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000194738554 510503961 /nfs/dbraw/zinc/50/39/61/510503961.db2.gz VRPNUBNQLRDVRF-OAHLLOKOSA-N 1 2 355.394 2.552 20 5 FFBDLO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000194738554 510503967 /nfs/dbraw/zinc/50/39/67/510503967.db2.gz VRPNUBNQLRDVRF-OAHLLOKOSA-N 1 2 355.394 2.552 20 5 FFBDLO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ncc(C)s2)c([N+](=O)[O-])c1 ZINC000184978515 510613448 /nfs/dbraw/zinc/61/34/48/510613448.db2.gz RBUISSZAOYHXLO-JTQLQIEISA-N 1 2 350.400 2.658 20 5 FFBDLO Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000185001039 510626489 /nfs/dbraw/zinc/62/64/89/510626489.db2.gz UHUDTAGLPDVEHK-UHFFFAOYSA-N 1 2 355.394 2.567 20 5 FFBDLO Cc1cc(-n2cc[nH+]c2)ccc1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000191536784 510710802 /nfs/dbraw/zinc/71/08/02/510710802.db2.gz WKLZPBHKKVFPBR-UHFFFAOYSA-N 1 2 362.345 2.885 20 5 FFBDLO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1OCCc2ccccc21 ZINC000263682245 510787828 /nfs/dbraw/zinc/78/78/28/510787828.db2.gz ILRQSZYUTDWVHC-SFHVURJKSA-N 1 2 355.394 2.779 20 5 FFBDLO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1OCCc2ccccc21 ZINC000263682245 510787837 /nfs/dbraw/zinc/78/78/37/510787837.db2.gz ILRQSZYUTDWVHC-SFHVURJKSA-N 1 2 355.394 2.779 20 5 FFBDLO Cc1noc(C)c1[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178854799 510806069 /nfs/dbraw/zinc/80/60/69/510806069.db2.gz BQVPMQDDBYFHFX-LLVKDONJSA-N 1 2 369.381 2.919 20 5 FFBDLO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCc2ccccc21 ZINC000182201131 510810983 /nfs/dbraw/zinc/81/09/83/510810983.db2.gz IAWYZSGPTQVJGH-GOSISDBHSA-N 1 2 360.435 2.988 20 5 FFBDLO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCc2ccccc21 ZINC000182201131 510810990 /nfs/dbraw/zinc/81/09/90/510810990.db2.gz IAWYZSGPTQVJGH-GOSISDBHSA-N 1 2 360.435 2.988 20 5 FFBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000185383819 510830050 /nfs/dbraw/zinc/83/00/50/510830050.db2.gz HWVDDAUGOCQLFG-CQSZACIVSA-N 1 2 374.466 2.974 20 5 FFBDLO Cc1[nH]c(-c2cccc(NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)c2)[nH+]c1C ZINC000364459186 510878701 /nfs/dbraw/zinc/87/87/01/510878701.db2.gz UARKPPQJCUXNTH-UHFFFAOYSA-N 1 2 353.338 2.955 20 5 FFBDLO COc1cc[nH+]cc1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000294437928 511064317 /nfs/dbraw/zinc/06/43/17/511064317.db2.gz GTNZITZEZHYRFV-UHFFFAOYSA-N 1 2 370.409 2.919 20 5 FFBDLO COc1ccc(C[N@H+](C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1O ZINC000271147984 511098276 /nfs/dbraw/zinc/09/82/76/511098276.db2.gz SDADQLSSHBUNQH-UHFFFAOYSA-N 1 2 362.382 2.958 20 5 FFBDLO COc1ccc(C[N@@H+](C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1O ZINC000271147984 511098283 /nfs/dbraw/zinc/09/82/83/511098283.db2.gz SDADQLSSHBUNQH-UHFFFAOYSA-N 1 2 362.382 2.958 20 5 FFBDLO Cc1ccn2cc(CNC(=O)N(C)CCc3cccc([N+](=O)[O-])c3)[nH+]c2c1 ZINC000282887695 511149745 /nfs/dbraw/zinc/14/97/45/511149745.db2.gz XBDNKWXOOKEDAR-UHFFFAOYSA-N 1 2 367.409 2.935 20 5 FFBDLO C[C@H]1C[N@H+](C)CCN1C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000333018100 511179251 /nfs/dbraw/zinc/17/92/51/511179251.db2.gz CQUSXRKXMUOETN-NSHDSACASA-N 1 2 371.387 2.736 20 5 FFBDLO C[C@H]1C[N@@H+](C)CCN1C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000333018100 511179256 /nfs/dbraw/zinc/17/92/56/511179256.db2.gz CQUSXRKXMUOETN-NSHDSACASA-N 1 2 371.387 2.736 20 5 FFBDLO O=c1[nH]ccc2c1C[N@H+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)CC2 ZINC000365190373 511307936 /nfs/dbraw/zinc/30/79/36/511307936.db2.gz GTGIMUAMVUWXHN-UHFFFAOYSA-N 1 2 352.350 2.909 20 5 FFBDLO O=c1[nH]ccc2c1C[N@@H+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)CC2 ZINC000365190373 511307940 /nfs/dbraw/zinc/30/79/40/511307940.db2.gz GTGIMUAMVUWXHN-UHFFFAOYSA-N 1 2 352.350 2.909 20 5 FFBDLO C[C@H](CCO)C1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCC1 ZINC000271842894 511345025 /nfs/dbraw/zinc/34/50/25/511345025.db2.gz IHOKLRZOSSNSPD-CQSZACIVSA-N 1 2 372.425 2.699 20 5 FFBDLO C[C@@H](Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000299076776 511505959 /nfs/dbraw/zinc/50/59/59/511505959.db2.gz ZDZJTNCFYBPXQP-CQSZACIVSA-N 1 2 369.425 2.551 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280687667 511563942 /nfs/dbraw/zinc/56/39/42/511563942.db2.gz VXZRUHACLLTDDZ-CALCHBBNSA-N 1 2 367.405 2.504 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280687667 511563948 /nfs/dbraw/zinc/56/39/48/511563948.db2.gz VXZRUHACLLTDDZ-CALCHBBNSA-N 1 2 367.405 2.504 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000296153630 511637207 /nfs/dbraw/zinc/63/72/07/511637207.db2.gz AFGPKLQNMISYMI-HNNXBMFYSA-N 1 2 373.413 2.630 20 5 FFBDLO NC(=O)c1ccc(C[NH+]2CCC(C(=O)c3cccs3)CC2)c([N+](=O)[O-])c1 ZINC000365827354 511673397 /nfs/dbraw/zinc/67/33/97/511673397.db2.gz JFLKWOJSIRZOAN-UHFFFAOYSA-N 1 2 373.434 2.850 20 5 FFBDLO Cn1cc([N+](=O)[O-])c(C(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)n1 ZINC000284376110 511702531 /nfs/dbraw/zinc/70/25/31/511702531.db2.gz UOSWNBOYCDOGFP-UHFFFAOYSA-N 1 2 367.365 2.747 20 5 FFBDLO COc1c(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cccc1[N+](=O)[O-] ZINC000350196687 511742258 /nfs/dbraw/zinc/74/22/58/511742258.db2.gz LKMYDQRDAJJXKF-SMDDNHRTSA-N 1 2 360.370 2.579 20 5 FFBDLO COc1c(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cccc1[N+](=O)[O-] ZINC000350196687 511742262 /nfs/dbraw/zinc/74/22/62/511742262.db2.gz LKMYDQRDAJJXKF-SMDDNHRTSA-N 1 2 360.370 2.579 20 5 FFBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000293452801 511970651 /nfs/dbraw/zinc/97/06/51/511970651.db2.gz KQZMNMPKNHZNIV-UHFFFAOYSA-N 1 2 367.331 2.726 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000373760737 512492699 /nfs/dbraw/zinc/49/26/99/512492699.db2.gz MAZABDGXZMHTLW-CQSZACIVSA-N 1 2 357.414 2.979 20 5 FFBDLO COc1cc(NCc2ccnc(-n3cc[nH+]c3)c2)c([N+](=O)[O-])cc1OC ZINC000378041679 512560493 /nfs/dbraw/zinc/56/04/93/512560493.db2.gz FTZJFRKNLIYMQO-UHFFFAOYSA-N 1 2 355.354 2.805 20 5 FFBDLO Cc1c(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000378071465 512575759 /nfs/dbraw/zinc/57/57/59/512575759.db2.gz FPVZCYDLTLERJH-UHFFFAOYSA-N 1 2 359.342 2.554 20 5 FFBDLO Cc1c(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000378071465 512575762 /nfs/dbraw/zinc/57/57/62/512575762.db2.gz FPVZCYDLTLERJH-UHFFFAOYSA-N 1 2 359.342 2.554 20 5 FFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000373935277 512579799 /nfs/dbraw/zinc/57/97/99/512579799.db2.gz CQVDFIBWRZWRPQ-KGLIPLIRSA-N 1 2 355.398 2.591 20 5 FFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000373935277 512579804 /nfs/dbraw/zinc/57/98/04/512579804.db2.gz CQVDFIBWRZWRPQ-KGLIPLIRSA-N 1 2 355.398 2.591 20 5 FFBDLO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)C[C@@H](C)O2 ZINC000374018074 512624858 /nfs/dbraw/zinc/62/48/58/512624858.db2.gz MVMLEZMKXPQCDR-VFVRVIDISA-N 1 2 361.398 2.894 20 5 FFBDLO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)C[C@@H](C)O2 ZINC000374018074 512624864 /nfs/dbraw/zinc/62/48/64/512624864.db2.gz MVMLEZMKXPQCDR-VFVRVIDISA-N 1 2 361.398 2.894 20 5 FFBDLO C[C@H]1N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCC12CCOCC2 ZINC000369898193 512670758 /nfs/dbraw/zinc/67/07/58/512670758.db2.gz OUHYAAQYLSFPGG-CQSZACIVSA-N 1 2 370.409 2.812 20 5 FFBDLO C[C@@H]1N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCC12CCOCC2 ZINC000369898192 512671041 /nfs/dbraw/zinc/67/10/41/512671041.db2.gz OUHYAAQYLSFPGG-AWEZNQCLSA-N 1 2 370.409 2.812 20 5 FFBDLO Cc1cn2c([nH+]1)CN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)CC2 ZINC000369992292 512716025 /nfs/dbraw/zinc/71/60/25/512716025.db2.gz BBZIBWJIOPKTPG-UHFFFAOYSA-N 1 2 367.312 2.749 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000374572508 512899693 /nfs/dbraw/zinc/89/96/93/512899693.db2.gz PDRMTSACLVSKCK-UHFFFAOYSA-N 1 2 370.409 2.787 20 5 FFBDLO Cc1cn2c([nH+]1)CN(Cc1ccc(Br)c([N+](=O)[O-])c1)CC2 ZINC000374702842 512963274 /nfs/dbraw/zinc/96/32/74/512963274.db2.gz SXQNFIINPCVHCL-UHFFFAOYSA-N 1 2 351.204 2.878 20 5 FFBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000374755728 512986644 /nfs/dbraw/zinc/98/66/44/512986644.db2.gz UGJYPALZXJVMPS-LLVKDONJSA-N 1 2 370.818 2.806 20 5 FFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000374866565 513046447 /nfs/dbraw/zinc/04/64/47/513046447.db2.gz WBOMJALANGWZCB-ORAYPTAESA-N 1 2 373.384 2.654 20 5 FFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000374866565 513046450 /nfs/dbraw/zinc/04/64/50/513046450.db2.gz WBOMJALANGWZCB-ORAYPTAESA-N 1 2 373.384 2.654 20 5 FFBDLO CC(C)c1n[nH]c(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC000433691951 513129497 /nfs/dbraw/zinc/12/94/97/513129497.db2.gz XPOAODHZCIBKMO-UHFFFAOYSA-N 1 2 368.397 2.616 20 5 FFBDLO CO[C@](C)([C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000412580116 513172789 /nfs/dbraw/zinc/17/27/89/513172789.db2.gz DIKCQZBJSKDYNA-KZULUSFZSA-N 1 2 358.398 2.714 20 5 FFBDLO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@@H+]1Cc1ccccc1 ZINC000412701574 513234049 /nfs/dbraw/zinc/23/40/49/513234049.db2.gz UIGOITGOCCKDMT-AWEZNQCLSA-N 1 2 355.394 2.647 20 5 FFBDLO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@H+]1Cc1ccccc1 ZINC000412701574 513234050 /nfs/dbraw/zinc/23/40/50/513234050.db2.gz UIGOITGOCCKDMT-AWEZNQCLSA-N 1 2 355.394 2.647 20 5 FFBDLO C[C@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000434133842 513245648 /nfs/dbraw/zinc/24/56/48/513245648.db2.gz FNDOKBXDGOBFBV-SUMWQHHRSA-N 1 2 356.382 2.914 20 5 FFBDLO C[C@H]1C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)Cc2ccccc2O1 ZINC000429120561 513282431 /nfs/dbraw/zinc/28/24/31/513282431.db2.gz BBXIDDDZKVEUTD-AWEZNQCLSA-N 1 2 367.405 2.767 20 5 FFBDLO C[C@H]1C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)Cc2ccccc2O1 ZINC000429120561 513282434 /nfs/dbraw/zinc/28/24/34/513282434.db2.gz BBXIDDDZKVEUTD-AWEZNQCLSA-N 1 2 367.405 2.767 20 5 FFBDLO O=C(NC1(CCO)CCCCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450684543 513302452 /nfs/dbraw/zinc/30/24/52/513302452.db2.gz JEKNDIQVJHQXDF-UHFFFAOYSA-N 1 2 358.398 2.596 20 5 FFBDLO Cc1cc(NCC2(CF)CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450735087 513319220 /nfs/dbraw/zinc/31/92/20/513319220.db2.gz YPXFFDWOSNXLKI-UHFFFAOYSA-N 1 2 360.389 2.960 20 5 FFBDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000429268935 513321309 /nfs/dbraw/zinc/32/13/09/513321309.db2.gz DZTPBOUNNUQTHV-CYBMUJFWSA-N 1 2 372.400 2.544 20 5 FFBDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000429268935 513321315 /nfs/dbraw/zinc/32/13/15/513321315.db2.gz DZTPBOUNNUQTHV-CYBMUJFWSA-N 1 2 372.400 2.544 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](CCc1ccccc1)Cc1cccnc1 ZINC000429293405 513332482 /nfs/dbraw/zinc/33/24/82/513332482.db2.gz NDSLIORBAWTYHB-UHFFFAOYSA-N 1 2 351.410 2.968 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](CCc1ccccc1)Cc1cccnc1 ZINC000429293405 513332488 /nfs/dbraw/zinc/33/24/88/513332488.db2.gz NDSLIORBAWTYHB-UHFFFAOYSA-N 1 2 351.410 2.968 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)[C@H](C)C[NH+]1CCOCC1 ZINC000434701855 513398378 /nfs/dbraw/zinc/39/83/78/513398378.db2.gz IEXUVLLYCJVEMC-OAHLLOKOSA-N 1 2 351.447 2.535 20 5 FFBDLO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3ccc([N+](=O)[O-])cc3O)cccc21 ZINC000447720345 513551184 /nfs/dbraw/zinc/55/11/84/513551184.db2.gz BJWAXTCWQUQPTF-HNNXBMFYSA-N 1 2 357.366 2.938 20 5 FFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC(Oc4cnccn4)CC3)c2c1 ZINC000413268813 513558264 /nfs/dbraw/zinc/55/82/64/513558264.db2.gz PEMHUJWQURFJRA-UHFFFAOYSA-N 1 2 351.366 2.981 20 5 FFBDLO Cc1ccccc1CC[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000451168742 513564936 /nfs/dbraw/zinc/56/49/36/513564936.db2.gz XFEWOVUWLXBPDC-UHFFFAOYSA-N 1 2 362.451 2.851 20 5 FFBDLO Cc1ccccc1CC[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000451168742 513564939 /nfs/dbraw/zinc/56/49/39/513564939.db2.gz XFEWOVUWLXBPDC-UHFFFAOYSA-N 1 2 362.451 2.851 20 5 FFBDLO CC(C)[C@@H](O)C(C)(C)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447804401 513575650 /nfs/dbraw/zinc/57/56/50/513575650.db2.gz FMVUWEZNIWUZFH-GOSISDBHSA-N 1 2 365.474 2.882 20 5 FFBDLO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000436162732 513778573 /nfs/dbraw/zinc/77/85/73/513778573.db2.gz FYNFLYAMSYMDIG-UHFFFAOYSA-N 1 2 366.381 2.780 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](OCC)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000451546708 513826142 /nfs/dbraw/zinc/82/61/42/513826142.db2.gz SQXNHVMIZOEFSU-GUYCJALGSA-N 1 2 365.430 2.679 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](OCC)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000451546708 513826149 /nfs/dbraw/zinc/82/61/49/513826149.db2.gz SQXNHVMIZOEFSU-GUYCJALGSA-N 1 2 365.430 2.679 20 5 FFBDLO CO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000451574690 513844653 /nfs/dbraw/zinc/84/46/53/513844653.db2.gz RVBFWCYBCYCRCH-ZIBATOQPSA-N 1 2 355.822 2.932 20 5 FFBDLO CO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000451574690 513844656 /nfs/dbraw/zinc/84/46/56/513844656.db2.gz RVBFWCYBCYCRCH-ZIBATOQPSA-N 1 2 355.822 2.932 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000451680558 513908077 /nfs/dbraw/zinc/90/80/77/513908077.db2.gz KDFYATNFPYTLMZ-KRWDZBQOSA-N 1 2 356.382 2.559 20 5 FFBDLO Cn1cc[nH+]c1CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000426485167 513955646 /nfs/dbraw/zinc/95/56/46/513955646.db2.gz WAWCEPSGJGSUCE-UHFFFAOYSA-N 1 2 366.377 2.837 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@@H]([C@H](O)C(F)(F)F)C3)co2)cc1 ZINC000451881241 514042034 /nfs/dbraw/zinc/04/20/34/514042034.db2.gz BEAHTSKSHZEELJ-RISCZKNCSA-N 1 2 371.315 2.995 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@@H]([C@H](O)C(F)(F)F)C3)co2)cc1 ZINC000451881241 514042043 /nfs/dbraw/zinc/04/20/43/514042043.db2.gz BEAHTSKSHZEELJ-RISCZKNCSA-N 1 2 371.315 2.995 20 5 FFBDLO C[C@]12CCN(C(=O)c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)C[C@H]1C2(F)F ZINC000451923985 514074904 /nfs/dbraw/zinc/07/49/04/514074904.db2.gz CQPDAAIUQCMJJL-ZBFHGGJFSA-N 1 2 362.336 2.898 20 5 FFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCC[C@H]1CS(C)(=O)=O ZINC000449547702 514248681 /nfs/dbraw/zinc/24/86/81/514248681.db2.gz YJKDXPODKIPUKG-SHRNQRGKSA-N 1 2 352.456 2.897 20 5 FFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCC[C@H]1CS(C)(=O)=O ZINC000449547702 514248688 /nfs/dbraw/zinc/24/86/88/514248688.db2.gz YJKDXPODKIPUKG-SHRNQRGKSA-N 1 2 352.456 2.897 20 5 FFBDLO O=C(C[N@@H+]1CC[C@@H]1Cc1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000437840314 514249052 /nfs/dbraw/zinc/24/90/52/514249052.db2.gz WGVXXIVIYZYGQJ-CQSZACIVSA-N 1 2 369.377 2.579 20 5 FFBDLO O=C(C[N@H+]1CC[C@@H]1Cc1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000437840314 514249057 /nfs/dbraw/zinc/24/90/57/514249057.db2.gz WGVXXIVIYZYGQJ-CQSZACIVSA-N 1 2 369.377 2.579 20 5 FFBDLO O=C(NC[C@H]1CC[NH2+]CC1(F)F)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000449653983 514283665 /nfs/dbraw/zinc/28/36/65/514283665.db2.gz UMERBJUIHYSBLA-SNVBAGLBSA-N 1 2 355.366 2.784 20 5 FFBDLO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427927425 514347945 /nfs/dbraw/zinc/34/79/45/514347945.db2.gz ZJLKKZAWZFAQGE-INIZCTEOSA-N 1 2 359.382 2.850 20 5 FFBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000427990331 514368541 /nfs/dbraw/zinc/36/85/41/514368541.db2.gz IGFIRYGEHNJOPZ-LLVKDONJSA-N 1 2 354.288 2.555 20 5 FFBDLO CCO[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C12CCC2 ZINC000449938011 514431712 /nfs/dbraw/zinc/43/17/12/514431712.db2.gz DMFHSGRUIHWNHP-IRXDYDNUSA-N 1 2 370.409 2.858 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@]2(CCCOC2)C1 ZINC000450028789 514472204 /nfs/dbraw/zinc/47/22/04/514472204.db2.gz PKOFPZRORWZKQG-IBGZPJMESA-N 1 2 370.409 2.813 20 5 FFBDLO CC(C)Cn1cc[nH+]c1CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000433402090 514484149 /nfs/dbraw/zinc/48/41/49/514484149.db2.gz WBDOJPRBZSEHDW-UHFFFAOYSA-N 1 2 357.414 2.952 20 5 FFBDLO CCOc1cc([N+](=O)[O-])c(C(=O)Nc2c[nH+]c3n2CCCC3)cc1OC ZINC000452754883 514485725 /nfs/dbraw/zinc/48/57/25/514485725.db2.gz LLRHIVMPZNTDOT-UHFFFAOYSA-N 1 2 360.370 2.787 20 5 FFBDLO CC(C)[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H](CO)C(C)C ZINC000452914953 514550884 /nfs/dbraw/zinc/55/08/84/514550884.db2.gz IQTNOLWJEGVADL-MAUKXSAKSA-N 1 2 374.441 2.799 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000450244118 514561598 /nfs/dbraw/zinc/56/15/98/514561598.db2.gz MLDUZGPGJNIKKO-SNVBAGLBSA-N 1 2 368.315 2.977 20 5 FFBDLO Cc1cc(C)c(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(C)[nH+]1 ZINC000455529650 514575057 /nfs/dbraw/zinc/57/50/57/514575057.db2.gz RJSNRBWBQDRNAJ-UHFFFAOYSA-N 1 2 358.402 2.981 20 5 FFBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000470696943 514578417 /nfs/dbraw/zinc/57/84/17/514578417.db2.gz JVRKEMYDNWZCEG-QGZVFWFLSA-N 1 2 359.357 2.573 20 5 FFBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000470696943 514578425 /nfs/dbraw/zinc/57/84/25/514578425.db2.gz JVRKEMYDNWZCEG-QGZVFWFLSA-N 1 2 359.357 2.573 20 5 FFBDLO O=C(N[C@@H]1COc2ccc(F)cc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000466278872 514594642 /nfs/dbraw/zinc/59/46/42/514594642.db2.gz ZAVPENKPVBNPLV-CQSZACIVSA-N 1 2 368.324 2.783 20 5 FFBDLO CCn1c(C)cc(C(=O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1C ZINC000489006828 514670771 /nfs/dbraw/zinc/67/07/71/514670771.db2.gz GIHSPKOFKWQJCR-UHFFFAOYSA-N 1 2 359.430 2.749 20 5 FFBDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000470962829 514695603 /nfs/dbraw/zinc/69/56/03/514695603.db2.gz YJDLRVRYLICZFT-GWCFXTLKSA-N 1 2 357.332 2.757 20 5 FFBDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000470962829 514695609 /nfs/dbraw/zinc/69/56/09/514695609.db2.gz YJDLRVRYLICZFT-GWCFXTLKSA-N 1 2 357.332 2.757 20 5 FFBDLO C[C@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCN1C(=O)c1cscn1 ZINC000453576502 514696422 /nfs/dbraw/zinc/69/64/22/514696422.db2.gz QIFOHVDXNJHQDH-YVZNUBBCSA-N 1 2 372.450 2.911 20 5 FFBDLO C[C@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCN1C(=O)c1cscn1 ZINC000453576502 514696430 /nfs/dbraw/zinc/69/64/30/514696430.db2.gz QIFOHVDXNJHQDH-YVZNUBBCSA-N 1 2 372.450 2.911 20 5 FFBDLO O=C(C[N@@H+]1CC[C@H]1c1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000471166715 514780666 /nfs/dbraw/zinc/78/06/66/514780666.db2.gz YWUMTEUBVBSWQP-AWEZNQCLSA-N 1 2 355.350 2.709 20 5 FFBDLO O=C(C[N@H+]1CC[C@H]1c1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000471166715 514780673 /nfs/dbraw/zinc/78/06/73/514780673.db2.gz YWUMTEUBVBSWQP-AWEZNQCLSA-N 1 2 355.350 2.709 20 5 FFBDLO Cc1cc(N2CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000461962775 514807856 /nfs/dbraw/zinc/80/78/56/514807856.db2.gz QCZPFSARYDPUBS-GOSISDBHSA-N 1 2 367.421 2.942 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000467228570 514948150 /nfs/dbraw/zinc/94/81/50/514948150.db2.gz YZERCFDNSZAGIF-LBPRGKRZSA-N 1 2 363.805 2.681 20 5 FFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000456347389 515114440 /nfs/dbraw/zinc/11/44/40/515114440.db2.gz JMRNXTSXSZODSZ-CYBMUJFWSA-N 1 2 357.414 2.902 20 5 FFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000456347162 515114595 /nfs/dbraw/zinc/11/45/95/515114595.db2.gz HSMNQDGRPSDIMJ-SECBINFHSA-N 1 2 354.313 2.904 20 5 FFBDLO C[C@H]1C[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000456347504 515114830 /nfs/dbraw/zinc/11/48/30/515114830.db2.gz DQJWTZAQIDUIDB-JSGCOSHPSA-N 1 2 355.398 2.827 20 5 FFBDLO Cc1ccc(NC(=O)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c(C)[nH+]1 ZINC000467842351 515143515 /nfs/dbraw/zinc/14/35/15/515143515.db2.gz QKEVKUILMIZRFQ-UHFFFAOYSA-N 1 2 362.773 2.515 20 5 FFBDLO C[C@H]1C[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000456396524 515156316 /nfs/dbraw/zinc/15/63/16/515156316.db2.gz BBTYUTQTWKXHHR-QPUJVOFHSA-N 1 2 365.187 2.990 20 5 FFBDLO Cc1ccn2cc(CNS(=O)(=O)c3c(C)ccc(C)c3[N+](=O)[O-])[nH+]c2c1 ZINC000481014478 515172406 /nfs/dbraw/zinc/17/24/06/515172406.db2.gz ONMMFSOIDFAKSK-UHFFFAOYSA-N 1 2 374.422 2.646 20 5 FFBDLO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC1 ZINC000456524588 515236305 /nfs/dbraw/zinc/23/63/05/515236305.db2.gz PTKXEAXBJLDEHH-CYBMUJFWSA-N 1 2 357.414 2.541 20 5 FFBDLO CC(C)Cn1cc[nH+]c1CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000472349948 515240365 /nfs/dbraw/zinc/24/03/65/515240365.db2.gz OXIAVILXPZFJSC-UHFFFAOYSA-N 1 2 373.457 2.892 20 5 FFBDLO CC(C)Cn1ccnc1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000472349948 515240374 /nfs/dbraw/zinc/24/03/74/515240374.db2.gz OXIAVILXPZFJSC-UHFFFAOYSA-N 1 2 373.457 2.892 20 5 FFBDLO CO[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C12CCC2 ZINC000456591985 515272578 /nfs/dbraw/zinc/27/25/78/515272578.db2.gz QRVXTFKGDQZAKM-SJORKVTESA-N 1 2 370.409 2.810 20 5 FFBDLO Cc1cc(C)c(CNC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c[nH+]1 ZINC000459072155 515302331 /nfs/dbraw/zinc/30/23/31/515302331.db2.gz HTDMFASZOCZLFE-UHFFFAOYSA-N 1 2 356.382 2.579 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C(F)F)CC2)c([N+](=O)[O-])c1 ZINC000486123227 515343471 /nfs/dbraw/zinc/34/34/71/515343471.db2.gz RASMEUVTOLMUAK-JTQLQIEISA-N 1 2 357.357 2.908 20 5 FFBDLO Cc1[nH+]c2cc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)ccc2n1[C@H](C)CO ZINC000456737914 515393899 /nfs/dbraw/zinc/39/38/99/515393899.db2.gz XQGOBBCUJJTARA-GFCCVEGCSA-N 1 2 368.393 2.987 20 5 FFBDLO O=C(C[NH2+]C1(C(F)F)CCCCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000510132971 515445485 /nfs/dbraw/zinc/44/54/85/515445485.db2.gz MBXHGDQJHBBPCL-UHFFFAOYSA-N 1 2 371.340 2.820 20 5 FFBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000491829463 515473172 /nfs/dbraw/zinc/47/31/72/515473172.db2.gz CFBJDFQLLXVFLA-UHFFFAOYSA-N 1 2 366.381 2.599 20 5 FFBDLO CC(C)[C@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)c1[nH]cc[nH+]1 ZINC000473292096 515566568 /nfs/dbraw/zinc/56/65/68/515566568.db2.gz BHULXLDCTDUOHF-HNNXBMFYSA-N 1 2 355.354 2.699 20 5 FFBDLO Cc1nn2c(C[NH+]3CCN(c4cccc([N+](=O)[O-])c4)CC3)c(C)nc2s1 ZINC000510537885 515575439 /nfs/dbraw/zinc/57/54/39/515575439.db2.gz KKJKEYHSDJMILW-UHFFFAOYSA-N 1 2 372.454 2.638 20 5 FFBDLO O=C(C1CCC1)N1CC[NH+](CCNc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000477819608 515603805 /nfs/dbraw/zinc/60/38/05/515603805.db2.gz OPADPYPYWBAFMW-UHFFFAOYSA-N 1 2 366.849 2.604 20 5 FFBDLO COc1cc(C[NH+]2CC3(C2)CCCOC3)c([N+](=O)[O-])cc1OCC(F)F ZINC000459604062 515687173 /nfs/dbraw/zinc/68/71/73/515687173.db2.gz JDHREHIRRMCNSR-UHFFFAOYSA-N 1 2 372.368 2.860 20 5 FFBDLO C[NH+](C)Cc1csc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)n1 ZINC000457296748 515789580 /nfs/dbraw/zinc/78/95/80/515789580.db2.gz SPNVVBBUOGWNGJ-UHFFFAOYSA-N 1 2 359.411 2.706 20 5 FFBDLO C[C@H]([NH2+][C@@H](C)c1ccn(C)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000459777393 515800092 /nfs/dbraw/zinc/80/00/92/515800092.db2.gz DTOQWZSOEWPMGI-UWVGGRQHSA-N 1 2 351.794 2.660 20 5 FFBDLO COc1ccc(-c2ccc(C[NH2+][C@H](C)c3ncnn3C)o2)c([N+](=O)[O-])c1 ZINC000473981509 515829740 /nfs/dbraw/zinc/82/97/40/515829740.db2.gz FGWJYWRLMDSMBG-LLVKDONJSA-N 1 2 357.370 2.843 20 5 FFBDLO CCOC1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCC1 ZINC000506425483 515878500 /nfs/dbraw/zinc/87/85/00/515878500.db2.gz ATIFEFCVWBPENE-UHFFFAOYSA-N 1 2 358.398 2.860 20 5 FFBDLO COc1c(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000474416097 516036494 /nfs/dbraw/zinc/03/64/94/516036494.db2.gz RZZFNKXPWUBANO-KRWDZBQOSA-N 1 2 355.394 2.732 20 5 FFBDLO COc1c(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000474416097 516036499 /nfs/dbraw/zinc/03/64/99/516036499.db2.gz RZZFNKXPWUBANO-KRWDZBQOSA-N 1 2 355.394 2.732 20 5 FFBDLO CCn1cc[nH+]c1CNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000455296613 516101792 /nfs/dbraw/zinc/10/17/92/516101792.db2.gz RFVBXCXBMUGPND-HNNXBMFYSA-N 1 2 357.414 2.900 20 5 FFBDLO O=C(CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc2c(c1)OCCO2 ZINC000488237612 516170142 /nfs/dbraw/zinc/17/01/42/516170142.db2.gz ZMMOSVZFIFORJC-UHFFFAOYSA-N 1 2 368.389 2.997 20 5 FFBDLO O=C(CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc2c(c1)OCCO2 ZINC000488237612 516170149 /nfs/dbraw/zinc/17/01/49/516170149.db2.gz ZMMOSVZFIFORJC-UHFFFAOYSA-N 1 2 368.389 2.997 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CCc3cc(C)ccc3C2)c([N+](=O)[O-])c1 ZINC000483989581 516271871 /nfs/dbraw/zinc/27/18/71/516271871.db2.gz ARJVYSVRYKWKGH-UHFFFAOYSA-N 1 2 355.394 2.909 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CCc3cc(C)ccc3C2)c([N+](=O)[O-])c1 ZINC000483989581 516271875 /nfs/dbraw/zinc/27/18/75/516271875.db2.gz ARJVYSVRYKWKGH-UHFFFAOYSA-N 1 2 355.394 2.909 20 5 FFBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000539970646 516379840 /nfs/dbraw/zinc/37/98/40/516379840.db2.gz HOHHZSLLLKSIBP-AWEZNQCLSA-N 1 2 356.382 2.546 20 5 FFBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000539970646 516379852 /nfs/dbraw/zinc/37/98/52/516379852.db2.gz HOHHZSLLLKSIBP-AWEZNQCLSA-N 1 2 356.382 2.546 20 5 FFBDLO O=C(N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000517676329 516406514 /nfs/dbraw/zinc/40/65/14/516406514.db2.gz ZRPUZHSEAINIAH-NSHDSACASA-N 1 2 364.352 2.596 20 5 FFBDLO O=C(N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000517676329 516406522 /nfs/dbraw/zinc/40/65/22/516406522.db2.gz ZRPUZHSEAINIAH-NSHDSACASA-N 1 2 364.352 2.596 20 5 FFBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000535695551 516455007 /nfs/dbraw/zinc/45/50/07/516455007.db2.gz AHOGNXKYOHADMP-UHFFFAOYSA-N 1 2 353.382 2.581 20 5 FFBDLO CCC(CC)[C@H](C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000543925722 516499640 /nfs/dbraw/zinc/49/96/40/516499640.db2.gz LVHLQDPWZVLQFA-QGZVFWFLSA-N 1 2 365.430 2.679 20 5 FFBDLO COc1ccccc1C[NH+]1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000523701352 516550643 /nfs/dbraw/zinc/55/06/43/516550643.db2.gz DDPJCBXEDZBCLG-UHFFFAOYSA-N 1 2 355.438 2.964 20 5 FFBDLO CC(=O)c1ccccc1NC(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554845518 516659699 /nfs/dbraw/zinc/65/96/99/516659699.db2.gz ASBUNSCGROWOMQ-UHFFFAOYSA-N 1 2 355.394 2.910 20 5 FFBDLO CC(=O)c1ccccc1NC(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554845518 516659709 /nfs/dbraw/zinc/65/97/09/516659709.db2.gz ASBUNSCGROWOMQ-UHFFFAOYSA-N 1 2 355.394 2.910 20 5 FFBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000514149113 516881720 /nfs/dbraw/zinc/88/17/20/516881720.db2.gz YSYJNNMDGDXXGC-ZDUSSCGKSA-N 1 2 358.373 2.648 20 5 FFBDLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000536696609 516897953 /nfs/dbraw/zinc/89/79/53/516897953.db2.gz ZIRSZFZGYCBNPI-MRXNPFEDSA-N 1 2 373.409 2.964 20 5 FFBDLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000536696609 516897962 /nfs/dbraw/zinc/89/79/62/516897962.db2.gz ZIRSZFZGYCBNPI-MRXNPFEDSA-N 1 2 373.409 2.964 20 5 FFBDLO CC(C)[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1cccnc1 ZINC000536782086 516933430 /nfs/dbraw/zinc/93/34/30/516933430.db2.gz CNVVAASLMRTTAM-UHFFFAOYSA-N 1 2 372.381 2.568 20 5 FFBDLO CC(C)[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1cccnc1 ZINC000536782086 516933437 /nfs/dbraw/zinc/93/34/37/516933437.db2.gz CNVVAASLMRTTAM-UHFFFAOYSA-N 1 2 372.381 2.568 20 5 FFBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2c2ccc(Br)cn2)n1 ZINC000555512042 516949052 /nfs/dbraw/zinc/94/90/52/516949052.db2.gz SBQFJVFXIRUIRE-CYBMUJFWSA-N 1 2 366.219 2.786 20 5 FFBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2c2ccc(Br)cn2)n1 ZINC000555512042 516949060 /nfs/dbraw/zinc/94/90/60/516949060.db2.gz SBQFJVFXIRUIRE-CYBMUJFWSA-N 1 2 366.219 2.786 20 5 FFBDLO Cn1c[nH+]cc1Cc1noc(Cn2c3ccccc3c(=O)c3ccccc32)n1 ZINC000545141179 517068727 /nfs/dbraw/zinc/06/87/27/517068727.db2.gz FIANRZBACURVOO-UHFFFAOYSA-N 1 2 371.400 2.910 20 5 FFBDLO COc1ccc(CC(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)cc1[N+](=O)[O-] ZINC000525725124 517137333 /nfs/dbraw/zinc/13/73/33/517137333.db2.gz MRXAGULWCGBSBQ-UHFFFAOYSA-N 1 2 354.366 2.980 20 5 FFBDLO CC(C)c1ccc(C[N@@H+]2CCC[C@H](CS(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000552274492 517172956 /nfs/dbraw/zinc/17/29/56/517172956.db2.gz XIMVARPDGAFDND-HNNXBMFYSA-N 1 2 354.472 2.975 20 5 FFBDLO CC(C)c1ccc(C[N@H+]2CCC[C@H](CS(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000552274492 517172968 /nfs/dbraw/zinc/17/29/68/517172968.db2.gz XIMVARPDGAFDND-HNNXBMFYSA-N 1 2 354.472 2.975 20 5 FFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000562609845 517234136 /nfs/dbraw/zinc/23/41/36/517234136.db2.gz SEYXUVCPPGMMHW-LBPRGKRZSA-N 1 2 370.413 2.895 20 5 FFBDLO CSc1cc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ccn1 ZINC000537921300 517406388 /nfs/dbraw/zinc/40/63/88/517406388.db2.gz QSHMPMQPJIUTIZ-UHFFFAOYSA-N 1 2 369.406 2.827 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000549140196 517418762 /nfs/dbraw/zinc/41/87/62/517418762.db2.gz MFQCUBFVUUTCMX-GOSISDBHSA-N 1 2 373.453 2.844 20 5 FFBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000520977348 517566211 /nfs/dbraw/zinc/56/62/11/517566211.db2.gz JXLISWMVYQGTBS-UHFFFAOYSA-N 1 2 360.267 2.765 20 5 FFBDLO C[C@@H]([NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccon1 ZINC000542648032 517669493 /nfs/dbraw/zinc/66/94/93/517669493.db2.gz CFPGMQYDLJPOJY-SNVBAGLBSA-N 1 2 373.394 2.996 20 5 FFBDLO CCCCc1[nH]c2ccc(NC(=O)c3ccnc(NC)c3[N+](=O)[O-])cc2[nH+]1 ZINC000516488929 517707363 /nfs/dbraw/zinc/70/73/63/517707363.db2.gz PWWRJUQJDABHNR-UHFFFAOYSA-N 1 2 368.397 2.925 20 5 FFBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1ccc(-n3cncn3)c(F)c1)C2 ZINC000538726882 517750025 /nfs/dbraw/zinc/75/00/25/517750025.db2.gz CUNGJSWESNCGHP-UHFFFAOYSA-N 1 2 353.357 2.873 20 5 FFBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1ccc(-n3cncn3)c(F)c1)C2 ZINC000538726882 517750027 /nfs/dbraw/zinc/75/00/27/517750027.db2.gz CUNGJSWESNCGHP-UHFFFAOYSA-N 1 2 353.357 2.873 20 5 FFBDLO Cc1ccc(CCNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])c[nH+]1 ZINC000530409977 517757862 /nfs/dbraw/zinc/75/78/62/517757862.db2.gz WVEGMHUMJVGZLV-UHFFFAOYSA-N 1 2 356.426 2.785 20 5 FFBDLO COc1ccc(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1C ZINC000556961870 517778483 /nfs/dbraw/zinc/77/84/83/517778483.db2.gz HSNAVIRJMNXKLX-UHFFFAOYSA-N 1 2 369.421 2.870 20 5 FFBDLO O=C1CCCCN1CC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000516706649 517816692 /nfs/dbraw/zinc/81/66/92/517816692.db2.gz XIASQZCEFPUTDD-UHFFFAOYSA-N 1 2 371.441 2.696 20 5 FFBDLO COc1cc(OCc2nc(Cc3ccc(C)[nH+]c3)no2)ccc1[N+](=O)[O-] ZINC000547057587 517971829 /nfs/dbraw/zinc/97/18/29/517971829.db2.gz WZSYMKKTWTURJQ-UHFFFAOYSA-N 1 2 356.338 2.860 20 5 FFBDLO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC(n2cc[nH+]c2)C1 ZINC000522258395 518050893 /nfs/dbraw/zinc/05/08/93/518050893.db2.gz RDECWDLVYODVKY-UHFFFAOYSA-N 1 2 355.379 2.612 20 5 FFBDLO CC(C)c1ccccc1OC[C@@H](O)C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000543477310 518113606 /nfs/dbraw/zinc/11/36/06/518113606.db2.gz RSNZPEXPJVZYRX-KRWDZBQOSA-N 1 2 371.437 2.911 20 5 FFBDLO CC(C)c1ccccc1OC[C@@H](O)C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000543477310 518113615 /nfs/dbraw/zinc/11/36/15/518113615.db2.gz RSNZPEXPJVZYRX-KRWDZBQOSA-N 1 2 371.437 2.911 20 5 FFBDLO CCC[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CC(=O)N(C)C1=O ZINC000574468717 519169150 /nfs/dbraw/zinc/16/91/50/519169150.db2.gz TXPZVJONQHROMF-CYBMUJFWSA-N 1 2 373.331 2.583 20 5 FFBDLO CCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CC(=O)N(C)C1=O ZINC000574468717 519169154 /nfs/dbraw/zinc/16/91/54/519169154.db2.gz TXPZVJONQHROMF-CYBMUJFWSA-N 1 2 373.331 2.583 20 5 FFBDLO COC(=O)c1ccnc(NCc2ccccc2-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000590580281 519273067 /nfs/dbraw/zinc/27/30/67/519273067.db2.gz FFWIJACUBZFMDZ-UHFFFAOYSA-N 1 2 353.338 2.574 20 5 FFBDLO COc1cc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000590972163 519464964 /nfs/dbraw/zinc/46/49/64/519464964.db2.gz OCQMARZEGSJOJF-MFKMUULPSA-N 1 2 358.341 2.816 20 5 FFBDLO COc1cc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000590972163 519464971 /nfs/dbraw/zinc/46/49/71/519464971.db2.gz OCQMARZEGSJOJF-MFKMUULPSA-N 1 2 358.341 2.816 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000581051800 519495256 /nfs/dbraw/zinc/49/52/56/519495256.db2.gz HCTHDLIWAVMVCE-VQIMIIECSA-N 1 2 361.442 2.797 20 5 FFBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](Cc2cnccn2)CC1 ZINC000584038779 519560789 /nfs/dbraw/zinc/56/07/89/519560789.db2.gz JJTPLAVERMKANG-UHFFFAOYSA-N 1 2 367.331 2.726 20 5 FFBDLO CNc1c(C(=O)NCc2ccccc2Cn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000566651379 519595117 /nfs/dbraw/zinc/59/51/17/519595117.db2.gz LGNOSXOORQEANY-UHFFFAOYSA-N 1 2 365.393 2.811 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000600212868 520129360 /nfs/dbraw/zinc/12/93/60/520129360.db2.gz KMUWVEVJMOJLJY-UHFFFAOYSA-N 1 2 371.393 2.745 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000600212868 520129364 /nfs/dbraw/zinc/12/93/64/520129364.db2.gz KMUWVEVJMOJLJY-UHFFFAOYSA-N 1 2 371.393 2.745 20 5 FFBDLO CC1(C)CCC[C@](CO)(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000600363506 520225011 /nfs/dbraw/zinc/22/50/11/520225011.db2.gz OXVLNKMYPJEUPW-IBGZPJMESA-N 1 2 372.425 2.842 20 5 FFBDLO COC(=O)c1cccc2c1C[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)CC2 ZINC000592163747 520239145 /nfs/dbraw/zinc/23/91/45/520239145.db2.gz HDIPCPXBEAIAIE-UHFFFAOYSA-N 1 2 356.378 2.948 20 5 FFBDLO COC(=O)c1cccc2c1C[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)CC2 ZINC000592163747 520239151 /nfs/dbraw/zinc/23/91/51/520239151.db2.gz HDIPCPXBEAIAIE-UHFFFAOYSA-N 1 2 356.378 2.948 20 5 FFBDLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609441745 520313275 /nfs/dbraw/zinc/31/32/75/520313275.db2.gz QCCRZZOKPMBFMJ-UHFFFAOYSA-N 1 2 354.341 2.909 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000597940726 520341451 /nfs/dbraw/zinc/34/14/51/520341451.db2.gz JQOCMBKTPOHTMP-UHFFFAOYSA-N 1 2 356.382 2.529 20 5 FFBDLO O=C(C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)NC1CCCC1 ZINC000609600503 520373298 /nfs/dbraw/zinc/37/32/98/520373298.db2.gz GZVMUXPQKRHEQP-UHFFFAOYSA-N 1 2 360.439 2.867 20 5 FFBDLO COc1cc(C[NH2+][C@H](C)c2nnc3n2CCCCC3)c([N+](=O)[O-])cc1F ZINC000595434336 520467817 /nfs/dbraw/zinc/46/78/17/520467817.db2.gz USWLKKIDYSETKO-LLVKDONJSA-N 1 2 363.393 2.911 20 5 FFBDLO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000598194347 520485261 /nfs/dbraw/zinc/48/52/61/520485261.db2.gz FWUAWGCXRYWHRB-QGZVFWFLSA-N 1 2 369.421 2.689 20 5 FFBDLO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000598194347 520485271 /nfs/dbraw/zinc/48/52/71/520485271.db2.gz FWUAWGCXRYWHRB-QGZVFWFLSA-N 1 2 369.421 2.689 20 5 FFBDLO COC(=O)C[C@@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)c1ccncc1 ZINC000595486633 520502747 /nfs/dbraw/zinc/50/27/47/520502747.db2.gz OZQRFJBUFLCYNB-GOSISDBHSA-N 1 2 359.382 2.567 20 5 FFBDLO CN(C)c1ccc(CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000610100109 520540778 /nfs/dbraw/zinc/54/07/78/520540778.db2.gz AQOJSNSBCZUNPJ-UHFFFAOYSA-N 1 2 371.441 2.878 20 5 FFBDLO Cc1noc(C[NH2+][C@H](c2ccccc2)C2(CO)CCOCC2)c1[N+](=O)[O-] ZINC000595550588 520547837 /nfs/dbraw/zinc/54/78/37/520547837.db2.gz VOZCGVQVYGUOQD-QGZVFWFLSA-N 1 2 361.398 2.511 20 5 FFBDLO CN(C)c1[nH+]cccc1CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600997051 520585213 /nfs/dbraw/zinc/58/52/13/520585213.db2.gz PMVKXYZLSVBZKC-UHFFFAOYSA-N 1 2 354.410 2.794 20 5 FFBDLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000601013942 520595783 /nfs/dbraw/zinc/59/57/83/520595783.db2.gz OUZYNBAYOHWCJQ-UHFFFAOYSA-N 1 2 359.357 2.818 20 5 FFBDLO CC[N@H+](CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000610508309 520720676 /nfs/dbraw/zinc/72/06/76/520720676.db2.gz BQMUKWJQBKJHPJ-UHFFFAOYSA-N 1 2 363.439 2.790 20 5 FFBDLO CC[N@@H+](CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000610508309 520720684 /nfs/dbraw/zinc/72/06/84/520720684.db2.gz BQMUKWJQBKJHPJ-UHFFFAOYSA-N 1 2 363.439 2.790 20 5 FFBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000610582033 520750684 /nfs/dbraw/zinc/75/06/84/520750684.db2.gz KUEOIPKATWNLEJ-MRXNPFEDSA-N 1 2 366.377 2.973 20 5 FFBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000610582033 520750694 /nfs/dbraw/zinc/75/06/94/520750694.db2.gz KUEOIPKATWNLEJ-MRXNPFEDSA-N 1 2 366.377 2.973 20 5 FFBDLO CCc1cc(NC(=O)C[C@@H](C)n2cc[nH+]c2)c2cc([N+](=O)[O-])ccc2n1 ZINC000593116098 520756175 /nfs/dbraw/zinc/75/61/75/520756175.db2.gz ILAYJXUXHMCGEE-GFCCVEGCSA-N 1 2 353.382 2.914 20 5 FFBDLO C[C@@H](NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)c1[nH+]ccn1C ZINC000595844237 520761326 /nfs/dbraw/zinc/76/13/26/520761326.db2.gz CHYQJGVFFWVEGW-UKRRQHHQSA-N 1 2 357.414 2.979 20 5 FFBDLO COc1cccc(OCC[NH+]2CCN(c3ccsc3[N+](=O)[O-])CC2)c1 ZINC000610808891 520852119 /nfs/dbraw/zinc/85/21/19/520852119.db2.gz RVRFIFWUDZPDEV-UHFFFAOYSA-N 1 2 363.439 2.866 20 5 FFBDLO CC[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H](CC)CO1 ZINC000593258620 520863865 /nfs/dbraw/zinc/86/38/65/520863865.db2.gz QNODDNCUGJOJGD-LSDHHAIUSA-N 1 2 358.398 2.810 20 5 FFBDLO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000601702926 520912043 /nfs/dbraw/zinc/91/20/43/520912043.db2.gz DTNYULSSWOHCBN-HOCLYGCPSA-N 1 2 369.421 2.798 20 5 FFBDLO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000601702926 520912048 /nfs/dbraw/zinc/91/20/48/520912048.db2.gz DTNYULSSWOHCBN-HOCLYGCPSA-N 1 2 369.421 2.798 20 5 FFBDLO C[C@@H]1C(=O)Nc2ccccc2C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000598950465 520937605 /nfs/dbraw/zinc/93/76/05/520937605.db2.gz QVOSYYIUFSERKW-CYBMUJFWSA-N 1 2 368.393 2.766 20 5 FFBDLO C[C@@H]1C(=O)Nc2ccccc2C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000598950465 520937616 /nfs/dbraw/zinc/93/76/16/520937616.db2.gz QVOSYYIUFSERKW-CYBMUJFWSA-N 1 2 368.393 2.766 20 5 FFBDLO COc1ccc(OCC[N@@H+]2Cc3ccccc3NC(=O)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000598951088 520937912 /nfs/dbraw/zinc/93/79/12/520937912.db2.gz YFUHJSHDBPMGJW-ZDUSSCGKSA-N 1 2 371.393 2.825 20 5 FFBDLO COc1ccc(OCC[N@H+]2Cc3ccccc3NC(=O)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000598951088 520937918 /nfs/dbraw/zinc/93/79/18/520937918.db2.gz YFUHJSHDBPMGJW-ZDUSSCGKSA-N 1 2 371.393 2.825 20 5 FFBDLO COC(=O)c1c(Cl)c(N2CCn3cc(C)[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000596188833 520961397 /nfs/dbraw/zinc/96/13/97/520961397.db2.gz CMDBPQDUGCAGPY-UHFFFAOYSA-N 1 2 350.762 2.560 20 5 FFBDLO CC(C)Oc1cc[nH+]c(Cn2cc(Br)c(=O)c([N+](=O)[O-])c2)c1 ZINC000593421837 520984095 /nfs/dbraw/zinc/98/40/95/520984095.db2.gz BGCOTNJJQPDFLL-UHFFFAOYSA-N 1 2 368.187 2.750 20 5 FFBDLO COc1cc(N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC000596232693 520986421 /nfs/dbraw/zinc/98/64/21/520986421.db2.gz SAWAMFRDWGUAAV-VXGBXAGGSA-N 1 2 355.822 2.556 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[NH+](Cc2cscn2)CC1 ZINC000593457781 521005498 /nfs/dbraw/zinc/00/54/98/521005498.db2.gz ORCXLVYIMVVMJZ-UHFFFAOYSA-N 1 2 355.423 2.922 20 5 FFBDLO O=[N+]([O-])c1c(NCc2cccc(N3CCOCC3)n2)ccc2c[nH+]ccc21 ZINC000599069518 521012297 /nfs/dbraw/zinc/01/22/97/521012297.db2.gz HJHNYYRENPSVJC-UHFFFAOYSA-N 1 2 365.393 2.987 20 5 FFBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(NC[C@H]2CC[N@@H+]2C2CCCCC2)s1 ZINC000599128306 521044633 /nfs/dbraw/zinc/04/46/33/521044633.db2.gz WGQSMAUCNVCIJC-GFCCVEGCSA-N 1 2 373.500 2.879 20 5 FFBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(NC[C@H]2CC[N@H+]2C2CCCCC2)s1 ZINC000599128306 521044640 /nfs/dbraw/zinc/04/46/40/521044640.db2.gz WGQSMAUCNVCIJC-GFCCVEGCSA-N 1 2 373.500 2.879 20 5 FFBDLO O=C(C1CC1)N1CCN(c2ccc(Nc3sccc3[N+](=O)[O-])c[nH+]2)CC1 ZINC000611412423 521142350 /nfs/dbraw/zinc/14/23/50/521142350.db2.gz ZCKOFZZXRQMMPO-UHFFFAOYSA-N 1 2 373.438 2.854 20 5 FFBDLO Nc1cc(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000611525061 521201945 /nfs/dbraw/zinc/20/19/45/521201945.db2.gz AEMANVBCYMMDAY-UHFFFAOYSA-N 1 2 367.409 2.930 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000599512187 521268647 /nfs/dbraw/zinc/26/86/47/521268647.db2.gz FLQNTODZQLPUGC-PHIMTYICSA-N 1 2 357.357 2.765 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000599512187 521268652 /nfs/dbraw/zinc/26/86/52/521268652.db2.gz FLQNTODZQLPUGC-PHIMTYICSA-N 1 2 357.357 2.765 20 5 FFBDLO COC(=O)[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]2CCC[C@H]21 ZINC000599655054 521366914 /nfs/dbraw/zinc/36/69/14/521366914.db2.gz OAXAHCDEQNHEMD-WOSRLPQWSA-N 1 2 358.398 2.635 20 5 FFBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]2CCC[C@H]21 ZINC000599655054 521366915 /nfs/dbraw/zinc/36/69/15/521366915.db2.gz OAXAHCDEQNHEMD-WOSRLPQWSA-N 1 2 358.398 2.635 20 5 FFBDLO COc1cc(C[NH2+]Cc2conc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000602673531 521472726 /nfs/dbraw/zinc/47/27/26/521472726.db2.gz CUXNTSRKWVROLI-UHFFFAOYSA-N 1 2 357.313 2.834 20 5 FFBDLO C[C@@H]1C[C@H](NC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)c2[nH+]ccn21 ZINC000597090591 521496012 /nfs/dbraw/zinc/49/60/12/521496012.db2.gz OHMXJUWBEDCAMW-XCBNKYQSSA-N 1 2 350.766 2.854 20 5 FFBDLO Cn1cc(C[NH2+][C@@](C)(CO)c2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])n1 ZINC000602839800 521563659 /nfs/dbraw/zinc/56/36/59/521563659.db2.gz LUMLZDOMDHPBGQ-AWEZNQCLSA-N 1 2 359.213 2.632 20 5 FFBDLO Cc1cc[nH+]c(NCCCCc2ccc([N+](=O)[O-])cc2)c1-c1nn[nH]n1 ZINC000826313761 609557750 /nfs/dbraw/zinc/55/77/50/609557750.db2.gz SJBBMVURXKCRGS-UHFFFAOYSA-N 1 2 353.386 2.913 20 5 FFBDLO Cc1cc(C(=O)N2CC[NH+](Cc3cccs3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000104136311 728500655 /nfs/dbraw/zinc/50/06/55/728500655.db2.gz XTBMEYYRYQTKIR-UHFFFAOYSA-N 1 2 360.439 2.505 20 5 FFBDLO COC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000112986068 728551478 /nfs/dbraw/zinc/55/14/78/728551478.db2.gz WZUGRXDNAVPMAN-NEPJUHHUSA-N 1 2 355.822 2.934 20 5 FFBDLO COC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000112986068 728551479 /nfs/dbraw/zinc/55/14/79/728551479.db2.gz WZUGRXDNAVPMAN-NEPJUHHUSA-N 1 2 355.822 2.934 20 5 FFBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cccc(Br)c1[N+](=O)[O-] ZINC000856759225 730355472 /nfs/dbraw/zinc/35/54/72/730355472.db2.gz ZMHGVNMLHXYFSK-VXGBXAGGSA-N 1 2 370.247 2.657 20 5 FFBDLO C[C@@]1(C(F)(F)F)CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000880002178 732816902 /nfs/dbraw/zinc/81/69/02/732816902.db2.gz FVNJOYNSPQCAPM-OAHLLOKOSA-N 1 2 357.332 2.758 20 5 FFBDLO C[C@@]1(C(F)(F)F)CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000880002178 732816903 /nfs/dbraw/zinc/81/69/03/732816903.db2.gz FVNJOYNSPQCAPM-OAHLLOKOSA-N 1 2 357.332 2.758 20 5 FFBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCc2nc(C[NH+](C)C)cs2)c1 ZINC000927773134 738782209 /nfs/dbraw/zinc/78/22/09/738782209.db2.gz IIVSXSPKZOTEEP-UHFFFAOYSA-N 1 2 366.468 2.765 20 5 FFBDLO O=C(OCc1nnsc1Cl)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000729252759 734568092 /nfs/dbraw/zinc/56/80/92/734568092.db2.gz VHIGIIARDQGZLB-UHFFFAOYSA-N 1 2 365.758 2.642 20 5 FFBDLO O=[N+]([O-])c1ccc2nc(N3CC[NH+](Cc4ccncc4)CC3)sc2c1 ZINC000729629896 734587396 /nfs/dbraw/zinc/58/73/96/734587396.db2.gz MGGILHMAMVDBRM-UHFFFAOYSA-N 1 2 355.423 2.922 20 5 FFBDLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000741149261 735120869 /nfs/dbraw/zinc/12/08/69/735120869.db2.gz WQQIPSRIGYYXFN-AWEZNQCLSA-N 1 2 369.805 2.604 20 5 FFBDLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000741149261 735120873 /nfs/dbraw/zinc/12/08/73/735120873.db2.gz WQQIPSRIGYYXFN-AWEZNQCLSA-N 1 2 369.805 2.604 20 5 FFBDLO C[N@H+](CCOC(C)(C)C)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000752798141 736013157 /nfs/dbraw/zinc/01/31/57/736013157.db2.gz RUZPQRFDDRPZSC-UHFFFAOYSA-N 1 2 350.419 2.541 20 5 FFBDLO C[N@@H+](CCOC(C)(C)C)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000752798141 736013161 /nfs/dbraw/zinc/01/31/61/736013161.db2.gz RUZPQRFDDRPZSC-UHFFFAOYSA-N 1 2 350.419 2.541 20 5 FFBDLO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000757259078 736399286 /nfs/dbraw/zinc/39/92/86/736399286.db2.gz CNVIWIBMKUDHTP-AWEZNQCLSA-N 1 2 363.805 2.991 20 5 FFBDLO CC(C)(CNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)n1cc[nH+]c1 ZINC000912615510 737324780 /nfs/dbraw/zinc/32/47/80/737324780.db2.gz YZWLTRCIZGUCNF-UHFFFAOYSA-N 1 2 350.806 2.929 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)c(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(Cl)c1 ZINC000772045625 737780116 /nfs/dbraw/zinc/78/01/16/737780116.db2.gz WXFFCZVHEMFMSU-KGLIPLIRSA-N 1 2 360.241 2.937 20 5 FFBDLO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CCS[C@H]4COCC[C@@H]43)c2c(Cl)c1 ZINC000774640393 738008700 /nfs/dbraw/zinc/00/87/00/738008700.db2.gz RYIRGKJEYJDXJH-KBPBESRZSA-N 1 2 368.846 2.762 20 5 FFBDLO O=[N+]([O-])c1cc2cnn(C[N@H+]3CCS[C@H]4COCC[C@@H]43)c2c(Cl)c1 ZINC000774640393 738008702 /nfs/dbraw/zinc/00/87/02/738008702.db2.gz RYIRGKJEYJDXJH-KBPBESRZSA-N 1 2 368.846 2.762 20 5 FFBDLO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000775876963 738134839 /nfs/dbraw/zinc/13/48/39/738134839.db2.gz NHMLIMWQAPCWGP-ZIAGYGMSSA-N 1 2 356.806 2.791 20 5 FFBDLO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000775876963 738134843 /nfs/dbraw/zinc/13/48/43/738134843.db2.gz NHMLIMWQAPCWGP-ZIAGYGMSSA-N 1 2 356.806 2.791 20 5 FFBDLO COC(=O)N1CC(C)([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000787767017 739168499 /nfs/dbraw/zinc/16/84/99/739168499.db2.gz NEXUDIBHOVZTKU-UHFFFAOYSA-N 1 2 362.411 2.649 20 5 FFBDLO Cc1nn(C[N@H+]2C[C@H](C(=O)OC(C)(C)C)CC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000817363567 742130285 /nfs/dbraw/zinc/13/02/85/742130285.db2.gz GGBIUEXHOOWIQG-BXUZGUMPSA-N 1 2 352.435 2.808 20 5 FFBDLO Cc1nn(C[N@@H+]2C[C@H](C(=O)OC(C)(C)C)CC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000817363567 742130290 /nfs/dbraw/zinc/13/02/90/742130290.db2.gz GGBIUEXHOOWIQG-BXUZGUMPSA-N 1 2 352.435 2.808 20 5 FFBDLO O=C(NC[C@H]1CC1(Cl)Cl)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000822411579 742729705 /nfs/dbraw/zinc/72/97/05/742729705.db2.gz MXQCJKXWCLEEOR-SNVBAGLBSA-N 1 2 355.181 2.704 20 5 FFBDLO CC(C)(C)OC(=O)C[C@H]([NH3+])c1noc(-c2cc(F)cc([N+](=O)[O-])c2)n1 ZINC000823393851 742899259 /nfs/dbraw/zinc/89/92/59/742899259.db2.gz PEFQNTKLNANEFU-NSHDSACASA-N 1 2 352.322 2.516 20 5 FFBDLO COC1(C(F)(F)F)CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000841688400 747432155 /nfs/dbraw/zinc/43/21/55/747432155.db2.gz GNAIDISXGFNUED-UHFFFAOYSA-N 1 2 358.320 2.945 20 5 FFBDLO Cc1cc(Cl)c(C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000847179919 748636609 /nfs/dbraw/zinc/63/66/09/748636609.db2.gz XPHWBDLRVKXSTH-UPJWGTAASA-N 1 2 369.849 2.784 20 5 FFBDLO Cc1cc(Cl)c(C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000847179919 748636612 /nfs/dbraw/zinc/63/66/12/748636612.db2.gz XPHWBDLRVKXSTH-UPJWGTAASA-N 1 2 369.849 2.784 20 5 FFBDLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000852338730 749838448 /nfs/dbraw/zinc/83/84/48/749838448.db2.gz YKXPDSSUWFSCET-MNOVXSKESA-N 1 2 364.295 2.907 20 5 FFBDLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000852338730 749838453 /nfs/dbraw/zinc/83/84/53/749838453.db2.gz YKXPDSSUWFSCET-MNOVXSKESA-N 1 2 364.295 2.907 20 5 FFBDLO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCc2c([nH+]cn2CC)C1 ZINC000896660346 971648942 /nfs/dbraw/zinc/64/89/42/971648942.db2.gz XDJZMNDFMMIZGY-UHFFFAOYSA-N 1 2 362.361 2.690 20 5 FFBDLO C[C@H]([NH2+][C@@H](CO)c1ccc(F)cc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001174799219 1013316730 /nfs/dbraw/zinc/31/67/30/1013316730.db2.gz SWQJSXGWAAGIDG-QFYYESIMSA-N 1 2 365.336 2.523 20 5 FFBDLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H]([C@@H]2CCCO2)C1 ZINC000933189382 963692090 /nfs/dbraw/zinc/69/20/90/963692090.db2.gz ZHMPFYGDBQSVCH-JLZZUVOBSA-N 1 2 366.389 2.667 20 5 FFBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H]([C@@H]2CCCO2)C1 ZINC000933189382 963692097 /nfs/dbraw/zinc/69/20/97/963692097.db2.gz ZHMPFYGDBQSVCH-JLZZUVOBSA-N 1 2 366.389 2.667 20 5 FFBDLO O=[N+]([O-])c1cnc2ccc(F)cc2c1N1CC[NH+](Cc2ccccn2)CC1 ZINC000891611940 964583977 /nfs/dbraw/zinc/58/39/77/964583977.db2.gz ZFEOEXXISMVOMW-UHFFFAOYSA-N 1 2 367.384 2.999 20 5 FFBDLO COc1c(O)ccc(CN2CC[NH+]([C@H](C)c3cccnc3)CC2)c1[N+](=O)[O-] ZINC000892044310 965877910 /nfs/dbraw/zinc/87/79/10/965877910.db2.gz HUWOGGKDYALUEL-CQSZACIVSA-N 1 2 372.425 2.583 20 5 FFBDLO Cc1ccc(N2CC[NH+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)cc1C ZINC000125892201 1014238705 /nfs/dbraw/zinc/23/87/05/1014238705.db2.gz LXSBNEPUHYCWBO-UHFFFAOYSA-N 1 2 368.437 2.633 20 5 FFBDLO O=[N+]([O-])c1cc(N[C@@H]2CCC[N@@H+](C3COC3)C2)ccc1OC(F)(F)F ZINC001168372552 981622586 /nfs/dbraw/zinc/62/25/86/981622586.db2.gz LDVNIDRLWLUWPS-LLVKDONJSA-N 1 2 361.320 2.769 20 5 FFBDLO O=[N+]([O-])c1cc(N[C@@H]2CCC[N@H+](C3COC3)C2)ccc1OC(F)(F)F ZINC001168372552 981622589 /nfs/dbraw/zinc/62/25/89/981622589.db2.gz LDVNIDRLWLUWPS-LLVKDONJSA-N 1 2 361.320 2.769 20 5 FFBDLO C[C@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000054531812 982205927 /nfs/dbraw/zinc/20/59/27/982205927.db2.gz MSDIKQDPLMYPKD-HOTGVXAUSA-N 1 2 360.458 2.506 20 5 FFBDLO Cc1nn(C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761293261 985133490 /nfs/dbraw/zinc/13/34/90/985133490.db2.gz VYGZOFMRRXYIJV-MRXNPFEDSA-N 1 2 371.441 2.687 20 5 FFBDLO Cc1nn(C[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761293261 985133496 /nfs/dbraw/zinc/13/34/96/985133496.db2.gz VYGZOFMRRXYIJV-MRXNPFEDSA-N 1 2 371.441 2.687 20 5 FFBDLO CCOC(=O)c1ccnc(NCc2ccc(-n3cc[nH+]c3)cc2)c1[N+](=O)[O-] ZINC000172366616 985522366 /nfs/dbraw/zinc/52/23/66/985522366.db2.gz UVPKUWLRPZCLMD-UHFFFAOYSA-N 1 2 367.365 2.964 20 5 FFBDLO CCO[C@@H]1C[C@H]([N@H+](C)Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C12CCC2 ZINC000127291900 1015180904 /nfs/dbraw/zinc/18/09/04/1015180904.db2.gz OGMGLSIBPJUWPP-JKSUJKDBSA-N 1 2 361.398 2.740 20 5 FFBDLO CCO[C@@H]1C[C@H]([N@@H+](C)Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C12CCC2 ZINC000127291900 1015180911 /nfs/dbraw/zinc/18/09/11/1015180911.db2.gz OGMGLSIBPJUWPP-JKSUJKDBSA-N 1 2 361.398 2.740 20 5 FFBDLO CC(C)(C)CN1CCC[C@H]([NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000763808097 993287149 /nfs/dbraw/zinc/28/71/49/993287149.db2.gz URVARUKVTIIFQV-SFHVURJKSA-N 1 2 374.485 2.754 20 5 FFBDLO COc1ccc(C[N@H+](CCO)Cc2cc(OC)c(F)cc2[N+](=O)[O-])cc1 ZINC000880572151 1015875085 /nfs/dbraw/zinc/87/50/85/1015875085.db2.gz LETXXRXAPAUVJP-UHFFFAOYSA-N 1 2 364.373 2.746 20 5 FFBDLO COc1ccc(C[N@@H+](CCO)Cc2cc(OC)c(F)cc2[N+](=O)[O-])cc1 ZINC000880572151 1015875089 /nfs/dbraw/zinc/87/50/89/1015875089.db2.gz LETXXRXAPAUVJP-UHFFFAOYSA-N 1 2 364.373 2.746 20 5 FFBDLO Cc1nn(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c2ncc([N+](=O)[O-])cc12 ZINC000811790006 995262039 /nfs/dbraw/zinc/26/20/39/995262039.db2.gz KAJVFNHAIVEXJM-JKSUJKDBSA-N 1 2 357.414 2.639 20 5 FFBDLO Cc1nn(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c2ncc([N+](=O)[O-])cc12 ZINC000811790006 995262043 /nfs/dbraw/zinc/26/20/43/995262043.db2.gz KAJVFNHAIVEXJM-JKSUJKDBSA-N 1 2 357.414 2.639 20 5 FFBDLO CC(C)(C)OC(=O)C1CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000727429134 995819251 /nfs/dbraw/zinc/81/92/51/995819251.db2.gz YKCWUXJFRKQGNK-UHFFFAOYSA-N 1 2 360.414 2.956 20 5 FFBDLO O=C(COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000730423293 997174116 /nfs/dbraw/zinc/17/41/16/997174116.db2.gz JSQBPIINKZVBLE-UHFFFAOYSA-N 1 2 369.308 2.959 20 5 FFBDLO C[C@H](CC(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)n1cc[nH+]c1 ZINC000845279630 998462335 /nfs/dbraw/zinc/46/23/35/998462335.db2.gz DLDDFDPYBVBJKN-LLVKDONJSA-N 1 2 357.326 2.536 20 5 FFBDLO C[C@@H](OC(=O)[C@@H]1CCCC[N@@H+]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000741148223 999711808 /nfs/dbraw/zinc/71/18/08/999711808.db2.gz YURPKJOCDJLJEH-RISCZKNCSA-N 1 2 360.370 2.733 20 5 FFBDLO C[C@@H](OC(=O)[C@@H]1CCCC[N@H+]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000741148223 999711811 /nfs/dbraw/zinc/71/18/11/999711811.db2.gz YURPKJOCDJLJEH-RISCZKNCSA-N 1 2 360.370 2.733 20 5 FFBDLO O=C(OCc1c(F)cccc1[N+](=O)[O-])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741381652 999725587 /nfs/dbraw/zinc/72/55/87/999725587.db2.gz IMPSZEGRZQZZDV-SFHVURJKSA-N 1 2 374.368 2.678 20 5 FFBDLO O=C(OCc1c(F)cccc1[N+](=O)[O-])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741381652 999725589 /nfs/dbraw/zinc/72/55/89/999725589.db2.gz IMPSZEGRZQZZDV-SFHVURJKSA-N 1 2 374.368 2.678 20 5 FFBDLO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000742442124 999774012 /nfs/dbraw/zinc/77/40/12/999774012.db2.gz BAJCBPJKQSWUIN-UHFFFAOYSA-N 1 2 372.469 2.751 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@H]1c1ncccn1 ZINC001148159082 1001049038 /nfs/dbraw/zinc/04/90/38/1001049038.db2.gz GFMBDCBGZFNGNA-HNNXBMFYSA-N 1 2 364.365 2.548 20 5 FFBDLO Cc1noc(C)c1CCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785676752 1001466376 /nfs/dbraw/zinc/46/63/76/1001466376.db2.gz YDSDGMGDPRKNBL-UHFFFAOYSA-N 1 2 356.338 2.785 20 5 FFBDLO CCCC[C@@H](OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(=O)OC ZINC000785680344 1001466807 /nfs/dbraw/zinc/46/68/07/1001466807.db2.gz ZOWNSLNQLNQVAC-OAHLLOKOSA-N 1 2 361.354 2.669 20 5 FFBDLO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000788571825 1001826027 /nfs/dbraw/zinc/82/60/27/1001826027.db2.gz NLFROEYRLUTZEN-MRXNPFEDSA-N 1 2 368.393 2.540 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(Nc3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000792874559 1003215482 /nfs/dbraw/zinc/21/54/82/1003215482.db2.gz WLMRNVSOAWDOAJ-UHFFFAOYSA-N 1 2 357.370 2.975 20 5 FFBDLO C[C@@]12CC[N@H+](CN3CCN(c4ccccc4[N+](=O)[O-])C3=O)C[C@@H]1C2(F)F ZINC000793528746 1003411895 /nfs/dbraw/zinc/41/18/95/1003411895.db2.gz LZVUHCDLEGMGMM-GOEBONIOSA-N 1 2 366.368 2.771 20 5 FFBDLO C[C@@]12CC[N@@H+](CN3CCN(c4ccccc4[N+](=O)[O-])C3=O)C[C@@H]1C2(F)F ZINC000793528746 1003411900 /nfs/dbraw/zinc/41/19/00/1003411900.db2.gz LZVUHCDLEGMGMM-GOEBONIOSA-N 1 2 366.368 2.771 20 5 FFBDLO Cc1cc(S(=O)(=O)N2CC[N@@H+](C)[C@H](C(C)(C)C)C2)c(C)cc1[N+](=O)[O-] ZINC001194517820 1004741493 /nfs/dbraw/zinc/74/14/93/1004741493.db2.gz YCLZOYUNKNLDLR-INIZCTEOSA-N 1 2 369.487 2.562 20 5 FFBDLO Cc1cc(S(=O)(=O)N2CC[N@H+](C)[C@H](C(C)(C)C)C2)c(C)cc1[N+](=O)[O-] ZINC001194517820 1004741496 /nfs/dbraw/zinc/74/14/96/1004741496.db2.gz YCLZOYUNKNLDLR-INIZCTEOSA-N 1 2 369.487 2.562 20 5 FFBDLO CN(C)c1ccccc1C[N@H+](C)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000808235823 1004785343 /nfs/dbraw/zinc/78/53/43/1004785343.db2.gz HMRINDFBBXOASG-UHFFFAOYSA-N 1 2 356.382 2.658 20 5 FFBDLO CN(C)c1ccccc1C[N@@H+](C)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000808235823 1004785348 /nfs/dbraw/zinc/78/53/48/1004785348.db2.gz HMRINDFBBXOASG-UHFFFAOYSA-N 1 2 356.382 2.658 20 5 FFBDLO Cc1noc(C[N@@H+]2CC[C@]3(CCCN3C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000852177526 1005948269 /nfs/dbraw/zinc/94/82/69/1005948269.db2.gz POKJFWQYHJBIJP-QGZVFWFLSA-N 1 2 366.418 2.867 20 5 FFBDLO Cc1noc(C[N@H+]2CC[C@]3(CCCN3C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000852177526 1005948272 /nfs/dbraw/zinc/94/82/72/1005948272.db2.gz POKJFWQYHJBIJP-QGZVFWFLSA-N 1 2 366.418 2.867 20 5 FFBDLO CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@@H]1CCCOC1 ZINC000882463855 1006407197 /nfs/dbraw/zinc/40/71/97/1006407197.db2.gz MEEMULGWXVGBMF-HUUCEWRRSA-N 1 2 358.398 2.716 20 5 FFBDLO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@H](OC3CCC3)C2)nc1-c1ccccn1 ZINC000853518026 1006425309 /nfs/dbraw/zinc/42/53/09/1006425309.db2.gz BUTVFYLQKKKOQA-HNNXBMFYSA-N 1 2 357.414 2.844 20 5 FFBDLO O=[N+]([O-])c1cn(C[N@H+]2CCC[C@H](OC3CCC3)C2)nc1-c1ccccn1 ZINC000853518026 1006425313 /nfs/dbraw/zinc/42/53/13/1006425313.db2.gz BUTVFYLQKKKOQA-HNNXBMFYSA-N 1 2 357.414 2.844 20 5 FFBDLO COC(=O)N1CCN(c2ccc(Nc3ccc([N+](=O)[O-])cc3)c[nH+]2)CC1 ZINC000814934080 1006471552 /nfs/dbraw/zinc/47/15/52/1006471552.db2.gz KYRXKVXZJSAZAH-UHFFFAOYSA-N 1 2 357.370 2.622 20 5 FFBDLO O=C1NCCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@@H]1Cc1ccccc1 ZINC000815140856 1006525900 /nfs/dbraw/zinc/52/59/00/1006525900.db2.gz LLWXYDQBNQUOLB-GOSISDBHSA-N 1 2 357.385 2.667 20 5 FFBDLO O=C1NCCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@@H]1Cc1ccccc1 ZINC000815140856 1006525909 /nfs/dbraw/zinc/52/59/09/1006525909.db2.gz LLWXYDQBNQUOLB-GOSISDBHSA-N 1 2 357.385 2.667 20 5 FFBDLO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2CCn3c[nH+]cc32)CC1 ZINC000857991375 1008270948 /nfs/dbraw/zinc/27/09/48/1008270948.db2.gz XKBSBNPMKPVABP-MRXNPFEDSA-N 1 2 369.425 2.902 20 5 FFBDLO Cc1c[nH+]c2c(c1)N(C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)CCN2 ZINC000858001636 1008274609 /nfs/dbraw/zinc/27/46/09/1008274609.db2.gz ZYFGYPACADMTRY-UHFFFAOYSA-N 1 2 354.366 2.720 20 5 FFBDLO Cc1ccc(O[C@H]2CC[N@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)nc1 ZINC000858036010 1008283736 /nfs/dbraw/zinc/28/37/36/1008283736.db2.gz GASVTLMMXPAVIV-INIZCTEOSA-N 1 2 370.409 2.698 20 5 FFBDLO Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)nc1 ZINC000858036010 1008283745 /nfs/dbraw/zinc/28/37/45/1008283745.db2.gz GASVTLMMXPAVIV-INIZCTEOSA-N 1 2 370.409 2.698 20 5 FFBDLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000821340201 1008447054 /nfs/dbraw/zinc/44/70/54/1008447054.db2.gz UITMRTWMWRUFLG-AWEZNQCLSA-N 1 2 368.315 2.870 20 5 FFBDLO CN(CC(=O)n1c2ccccc2cc2c(=O)c(N)ccc1-2)c1cccc[nH+]1 ZINC001177412745 1008602363 /nfs/dbraw/zinc/60/23/63/1008602363.db2.gz IIVYMDUIPVFXDA-UHFFFAOYSA-N 1 2 358.401 2.860 20 5 FFBDLO C[C@@H]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000126220357 1009219769 /nfs/dbraw/zinc/21/97/69/1009219769.db2.gz IYENQCPYDKTMKZ-GDBMZVCRSA-N 1 2 358.398 2.670 20 5 FFBDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000862754636 1009958164 /nfs/dbraw/zinc/95/81/64/1009958164.db2.gz DIQSEIQWTXWAQD-OAHLLOKOSA-N 1 2 373.384 2.747 20 5 FFBDLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000862754636 1009958172 /nfs/dbraw/zinc/95/81/72/1009958172.db2.gz DIQSEIQWTXWAQD-OAHLLOKOSA-N 1 2 373.384 2.747 20 5 FFBDLO Cc1cc(NCCNC(=O)c2cc(F)ccc2[N+](=O)[O-])nc(C(C)C)[nH+]1 ZINC000862859307 1010020250 /nfs/dbraw/zinc/02/02/50/1010020250.db2.gz CPRMYSHKNVUNCA-UHFFFAOYSA-N 1 2 361.377 2.798 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCn3c(nnc3C3CC3)C1)CC2 ZINC001172916758 1012098648 /nfs/dbraw/zinc/09/86/48/1012098648.db2.gz TZHNLSPWRJSYNQ-INIZCTEOSA-N 1 2 353.426 2.827 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1CCn3c(nnc3C3CC3)C1)CC2 ZINC001172916758 1012098664 /nfs/dbraw/zinc/09/86/64/1012098664.db2.gz TZHNLSPWRJSYNQ-INIZCTEOSA-N 1 2 353.426 2.827 20 5 FFBDLO CC(C)(C)OC(=O)C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173004994 1012174914 /nfs/dbraw/zinc/17/49/14/1012174914.db2.gz ARIHNXNNIKVVQI-UHFFFAOYSA-N 1 2 371.384 2.773 20 5 FFBDLO COc1cccc([C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3F)CC[NH2+]2)c1 ZINC000870151775 1012210901 /nfs/dbraw/zinc/21/09/01/1012210901.db2.gz CCSHLORVYSMNFR-KRWDZBQOSA-N 1 2 359.357 2.529 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCCC3(C2)OCCO3)c1F ZINC001173195709 1012339433 /nfs/dbraw/zinc/33/94/33/1012339433.db2.gz IWIMPDRLXUMUEB-GFCCVEGCSA-N 1 2 354.378 2.512 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CCCC3(C2)OCCO3)c1F ZINC001173195709 1012339446 /nfs/dbraw/zinc/33/94/46/1012339446.db2.gz IWIMPDRLXUMUEB-GFCCVEGCSA-N 1 2 354.378 2.512 20 5 FFBDLO COC(=O)[C@H](Cc1cccc(O)c1)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173234080 1012367225 /nfs/dbraw/zinc/36/72/25/1012367225.db2.gz MCZZZAOBSUMPGG-UGSOOPFHSA-N 1 2 358.394 2.605 20 5 FFBDLO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927094252 1018360413 /nfs/dbraw/zinc/36/04/13/1018360413.db2.gz MSAGJUQPWPEAHK-UHFFFAOYSA-N 1 2 374.372 2.611 20 5 FFBDLO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000801549016 1019101745 /nfs/dbraw/zinc/10/17/45/1019101745.db2.gz AXMBIIYJIDPJCQ-SFHVURJKSA-N 1 2 357.385 2.967 20 5 FFBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000801549016 1019101750 /nfs/dbraw/zinc/10/17/50/1019101750.db2.gz AXMBIIYJIDPJCQ-SFHVURJKSA-N 1 2 357.385 2.967 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3CCCC[C@H]3C3OCCO3)c2)c1 ZINC000777954758 1020296628 /nfs/dbraw/zinc/29/66/28/1020296628.db2.gz CYRJGDVIUREVBN-KRWDZBQOSA-N 1 2 358.398 2.643 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2cnn(C[N@H+]3CCCC[C@H]3C3OCCO3)c2)c1 ZINC000777954758 1020296637 /nfs/dbraw/zinc/29/66/37/1020296637.db2.gz CYRJGDVIUREVBN-KRWDZBQOSA-N 1 2 358.398 2.643 20 5 FFBDLO Cc1nn(C[N@@H+]2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)c(C)c1[N+](=O)[O-] ZINC000902616019 1020340924 /nfs/dbraw/zinc/34/09/24/1020340924.db2.gz OZHQHRVNYOVOJI-LLVKDONJSA-N 1 2 370.335 2.664 20 5 FFBDLO Cc1nn(C[N@H+]2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)c(C)c1[N+](=O)[O-] ZINC000902616019 1020340934 /nfs/dbraw/zinc/34/09/34/1020340934.db2.gz OZHQHRVNYOVOJI-LLVKDONJSA-N 1 2 370.335 2.664 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000749661694 1021017885 /nfs/dbraw/zinc/01/78/85/1021017885.db2.gz HHSRWNYTXYMXNG-MSOLQXFVSA-N 1 2 370.384 2.880 20 5 FFBDLO C[N@H+](CC(F)F)C1CCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000933707649 1021074891 /nfs/dbraw/zinc/07/48/91/1021074891.db2.gz UKJIYDNTVGKUIX-HOTGVXAUSA-N 1 2 367.396 2.886 20 5 FFBDLO C[N@@H+](CC(F)F)C1CCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000933707649 1021074894 /nfs/dbraw/zinc/07/48/94/1021074894.db2.gz UKJIYDNTVGKUIX-HOTGVXAUSA-N 1 2 367.396 2.886 20 5 FFBDLO CCc1ccccc1NC(=O)C[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750035256 1021250574 /nfs/dbraw/zinc/25/05/74/1021250574.db2.gz FAUUIUWMCMEMNS-SFHVURJKSA-N 1 2 357.410 2.761 20 5 FFBDLO CCc1ccccc1NC(=O)C[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750035256 1021250584 /nfs/dbraw/zinc/25/05/84/1021250584.db2.gz FAUUIUWMCMEMNS-SFHVURJKSA-N 1 2 357.410 2.761 20 5 FFBDLO CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Br ZINC001118907161 1022466828 /nfs/dbraw/zinc/46/68/28/1022466828.db2.gz JLPNSCPIWZWUKE-AWEZNQCLSA-N 1 2 370.247 2.848 20 5 FFBDLO CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Br ZINC001118907161 1022466835 /nfs/dbraw/zinc/46/68/35/1022466835.db2.gz JLPNSCPIWZWUKE-AWEZNQCLSA-N 1 2 370.247 2.848 20 5 FFBDLO O=[N+]([O-])c1ccc(CCO)c(-c2ccc(NCCCn3cc[nH+]c3)nc2)c1 ZINC000600794926 1022655150 /nfs/dbraw/zinc/65/51/50/1022655150.db2.gz UYYLGJUMDRRGKI-UHFFFAOYSA-N 1 2 367.409 2.890 20 5 FFBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000779215395 1023367253 /nfs/dbraw/zinc/36/72/53/1023367253.db2.gz YCGUBWODXAPVRV-CQSZACIVSA-N 1 2 369.425 2.526 20 5 FFBDLO CC(C)[C@@]1(C)NC(=O)N(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000840124276 1026968537 /nfs/dbraw/zinc/96/85/37/1026968537.db2.gz ISDFMPPQRFVALL-HNAYVOBHSA-N 1 2 374.441 2.698 20 5 FFBDLO CC(C)[C@@]1(C)NC(=O)N(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000840124276 1026968546 /nfs/dbraw/zinc/96/85/46/1026968546.db2.gz ISDFMPPQRFVALL-HNAYVOBHSA-N 1 2 374.441 2.698 20 5 FFBDLO Cc1nn(C[N@H+]2CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000840155623 1026989634 /nfs/dbraw/zinc/98/96/34/1026989634.db2.gz TVJWKCZNJPKTRV-GXTWGEPZSA-N 1 2 367.450 2.540 20 5 FFBDLO Cc1nn(C[N@@H+]2CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000840155623 1026989638 /nfs/dbraw/zinc/98/96/38/1026989638.db2.gz TVJWKCZNJPKTRV-GXTWGEPZSA-N 1 2 367.450 2.540 20 5 FFBDLO CCOc1nc(N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)ccc1[N+](=O)[O-] ZINC001158620728 1027076148 /nfs/dbraw/zinc/07/61/48/1027076148.db2.gz AIDHBTZCMAZDTC-CYBMUJFWSA-N 1 2 356.373 2.698 20 5 FFBDLO O=[N+]([O-])c1ccc2ncc(N3CC[C@H]([NH+]4CCCC4)C(F)(F)C3)nc2c1 ZINC001158626138 1027078475 /nfs/dbraw/zinc/07/84/75/1027078475.db2.gz YUBNXTZLNIGICD-HNNXBMFYSA-N 1 2 363.368 2.848 20 5 FFBDLO Cc1nn(C[N@H+]2CC=C(c3ccnn3C)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000795650253 1027426659 /nfs/dbraw/zinc/42/66/59/1027426659.db2.gz ADRMTXNGFDDJAA-UHFFFAOYSA-N 1 2 352.398 2.733 20 5 FFBDLO Cc1nn(C[N@@H+]2CC=C(c3ccnn3C)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000795650253 1027426668 /nfs/dbraw/zinc/42/66/68/1027426668.db2.gz ADRMTXNGFDDJAA-UHFFFAOYSA-N 1 2 352.398 2.733 20 5 FFBDLO CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001162850086 1028679321 /nfs/dbraw/zinc/67/93/21/1028679321.db2.gz UOBNSFGWLVLOLV-JTQLQIEISA-N 1 2 366.805 2.877 20 5 FFBDLO COC(=O)[C@@H]1C[C@H](Nc2ccc3ccc4ccc(Cl)nc4c3n2)C[NH2+]1 ZINC001156248763 1029111515 /nfs/dbraw/zinc/11/15/15/1029111515.db2.gz IXBCTFKZYGAIFH-STQMWFEESA-N 1 2 356.813 2.752 20 5 FFBDLO O=C(Nc1ccn2cc[nH+]c2c1)c1cc([N+](=O)[O-])ccc1SCCO ZINC001156799920 1029353065 /nfs/dbraw/zinc/35/30/65/1029353065.db2.gz JGXMPKPYRNDZCU-UHFFFAOYSA-N 1 2 358.379 2.579 20 5 FFBDLO COc1cc(N2CCN(c3ncc([N+](=O)[O-])c4ccccc43)CC2)cc[nH+]1 ZINC001158100150 1029734011 /nfs/dbraw/zinc/73/40/11/1029734011.db2.gz YXHRBSXVWBTMQD-UHFFFAOYSA-N 1 2 365.393 2.873 20 5 FFBDLO Cc1cc(Cl)nc(N2CCc3onc(Cn4cc[nH+]c4)c3C2)c1[N+](=O)[O-] ZINC001165549619 1030022277 /nfs/dbraw/zinc/02/22/77/1030022277.db2.gz UESASPSLRDVXBF-UHFFFAOYSA-N 1 2 374.788 2.747 20 5 FFBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CN1C[C@@H](c2cncn2C)CC1=O ZINC000783977927 1030383607 /nfs/dbraw/zinc/38/36/07/1030383607.db2.gz MBMVQHMHLDDGOS-INIZCTEOSA-N 1 2 371.441 2.512 20 5 FFBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)CN1C[C@@H](c2cncn2C)CC1=O ZINC000783977927 1030383617 /nfs/dbraw/zinc/38/36/17/1030383617.db2.gz MBMVQHMHLDDGOS-INIZCTEOSA-N 1 2 371.441 2.512 20 5 FFBDLO C[N@H+](CCCOCc1ccccc1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000799164132 1031677651 /nfs/dbraw/zinc/67/76/51/1031677651.db2.gz YSWBVKLVLUNUAX-UHFFFAOYSA-N 1 2 371.393 2.999 20 5 FFBDLO C[N@@H+](CCCOCc1ccccc1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000799164132 1031677658 /nfs/dbraw/zinc/67/76/58/1031677658.db2.gz YSWBVKLVLUNUAX-UHFFFAOYSA-N 1 2 371.393 2.999 20 5 FFBDLO Cc1ccc(OS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000799793338 1031888052 /nfs/dbraw/zinc/88/80/52/1031888052.db2.gz WYPIOEZVVPQEDO-UHFFFAOYSA-N 1 2 373.390 2.916 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(O[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC001227062224 1034924781 /nfs/dbraw/zinc/92/47/81/1034924781.db2.gz JNQKCUZYJZWXFP-QAPCUYQASA-N 1 2 357.410 2.967 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(O[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC001227062224 1034924788 /nfs/dbraw/zinc/92/47/88/1034924788.db2.gz JNQKCUZYJZWXFP-QAPCUYQASA-N 1 2 357.410 2.967 20 5 FFBDLO O=[N+]([O-])c1ccc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC001233701997 1036723422 /nfs/dbraw/zinc/72/34/22/1036723422.db2.gz IWRKAUYESWDOSO-INIZCTEOSA-N 1 2 373.365 2.783 20 5 FFBDLO O=[N+]([O-])c1ccc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC001233701997 1036723439 /nfs/dbraw/zinc/72/34/39/1036723439.db2.gz IWRKAUYESWDOSO-INIZCTEOSA-N 1 2 373.365 2.783 20 5 FFBDLO COc1c(O)ccc2c(=O)c3c(OC4CC[NH+](C)CC4)cc(O)cc3oc21 ZINC001234749994 1037166988 /nfs/dbraw/zinc/16/69/88/1037166988.db2.gz VHZZIPKMTPIWMH-UHFFFAOYSA-N 1 2 371.389 2.839 20 5 FFBDLO C[C@@H](CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1[N+](=O)[O-] ZINC001230553657 1037305917 /nfs/dbraw/zinc/30/59/17/1037305917.db2.gz JXZMMSPNLGMFCH-LSDHHAIUSA-N 1 2 369.425 2.671 20 5 FFBDLO CCOCc1cnc2n1CC[N@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)[C@@H]2C ZINC001254595653 1040825682 /nfs/dbraw/zinc/82/56/82/1040825682.db2.gz KLFKMXXMUXATJB-CXAGYDPISA-N 1 2 356.426 2.872 20 5 FFBDLO CCOCc1cnc2n1CC[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)[C@@H]2C ZINC001254595653 1040825698 /nfs/dbraw/zinc/82/56/98/1040825698.db2.gz KLFKMXXMUXATJB-CXAGYDPISA-N 1 2 356.426 2.872 20 5 FFBDLO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001322724371 1046198399 /nfs/dbraw/zinc/19/83/99/1046198399.db2.gz SRYAMUKJLVOSQT-GOSISDBHSA-N 1 2 354.410 2.661 20 5 FFBDLO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001322724371 1046198403 /nfs/dbraw/zinc/19/84/03/1046198403.db2.gz SRYAMUKJLVOSQT-GOSISDBHSA-N 1 2 354.410 2.661 20 5 FFBDLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001332153261 1048270767 /nfs/dbraw/zinc/27/07/67/1048270767.db2.gz NDXYIYOLHJYIQX-SFHVURJKSA-N 1 2 352.394 2.807 20 5 FFBDLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001332153261 1048270775 /nfs/dbraw/zinc/27/07/75/1048270775.db2.gz NDXYIYOLHJYIQX-SFHVURJKSA-N 1 2 352.394 2.807 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCc2c(O)cccc2C1 ZINC001302126705 1051045372 /nfs/dbraw/zinc/04/53/72/1051045372.db2.gz WJTRAXQLGUPBGT-UHFFFAOYSA-N 1 2 364.361 2.685 20 5 FFBDLO Cn1c(=O)c([N+](=O)[O-])c(NCc2nc(C[NH+](C)C)cs2)c2ccccc21 ZINC001343224505 1052080076 /nfs/dbraw/zinc/08/00/76/1052080076.db2.gz OXIPYNOHSJHFBZ-UHFFFAOYSA-N 1 2 373.438 2.577 20 5 FFBDLO CC(C)(CO)[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1cccnc1 ZINC001308786313 1052498985 /nfs/dbraw/zinc/49/89/85/1052498985.db2.gz LFFPOUNIJPMRQG-KRWDZBQOSA-N 1 2 356.382 2.980 20 5 FFBDLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC001347144950 1053662239 /nfs/dbraw/zinc/66/22/39/1053662239.db2.gz FPVXJDIVPNMBFB-GXFFZTMASA-N 1 2 371.231 2.988 20 5 FFBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC001347144950 1053662244 /nfs/dbraw/zinc/66/22/44/1053662244.db2.gz FPVXJDIVPNMBFB-GXFFZTMASA-N 1 2 371.231 2.988 20 5 FFBDLO CN(C)c1[nH+]ccc2c1CN(c1cc3c(cc1[N+](=O)[O-])CCC(=O)N3)CC2 ZINC001336827390 1054261939 /nfs/dbraw/zinc/26/19/39/1054261939.db2.gz AUBLKMPDIINDOU-UHFFFAOYSA-N 1 2 367.409 2.503 20 5 FFBDLO O=[N+]([O-])c1ccc(Br)cc1OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001351667894 1054946111 /nfs/dbraw/zinc/94/61/11/1054946111.db2.gz UTJFPMQWZZUVDY-TXEJJXNPSA-N 1 2 357.204 2.599 20 5 FFBDLO O=[N+]([O-])c1ccc(Br)cc1OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001351667894 1054946121 /nfs/dbraw/zinc/94/61/21/1054946121.db2.gz UTJFPMQWZZUVDY-TXEJJXNPSA-N 1 2 357.204 2.599 20 5 FFBDLO COCCO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001338571613 1055633144 /nfs/dbraw/zinc/63/31/44/1055633144.db2.gz UBELXPCQCHYTIC-CYBMUJFWSA-N 1 2 359.220 2.595 20 5 FFBDLO COCCO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001338571613 1055633149 /nfs/dbraw/zinc/63/31/49/1055633149.db2.gz UBELXPCQCHYTIC-CYBMUJFWSA-N 1 2 359.220 2.595 20 5 FFBDLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001452106507 1059182636 /nfs/dbraw/zinc/18/26/36/1059182636.db2.gz XXFFUKNETFUOHI-GFCCVEGCSA-N 1 2 369.406 2.660 20 5 FFBDLO O=C(CCNc1ccccc1[N+](=O)[O-])OCCc1cn2c([nH+]1)CCCC2 ZINC001515201438 1059430004 /nfs/dbraw/zinc/43/00/04/1059430004.db2.gz YRDNVWUBGSLVET-UHFFFAOYSA-N 1 2 358.398 2.716 20 5 FFBDLO Cc1cccc2[nH+]c(CCNc3ccc([N+](=O)[O-])cc3S(C)(=O)=O)cn21 ZINC001458472145 1060599303 /nfs/dbraw/zinc/59/93/03/1060599303.db2.gz ZVBUXYUGAYMUIK-UHFFFAOYSA-N 1 2 374.422 2.609 20 5 FFBDLO O=C(NCCOc1ccccc1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001521520625 1060633237 /nfs/dbraw/zinc/63/32/37/1060633237.db2.gz HHXQKGOXEYHXRE-UHFFFAOYSA-N 1 2 352.350 2.589 20 5 FFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCc2cccc(Br)c2C1 ZINC001459762294 1060810315 /nfs/dbraw/zinc/81/03/15/1060810315.db2.gz JYGDSBCCQRJRBX-UHFFFAOYSA-N 1 2 365.231 2.921 20 5 FFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCc2cccc(Br)c2C1 ZINC001459762294 1060810330 /nfs/dbraw/zinc/81/03/30/1060810330.db2.gz JYGDSBCCQRJRBX-UHFFFAOYSA-N 1 2 365.231 2.921 20 5 FFBDLO COc1c(O)ccc(C[NH2+]Cc2nc3cc(C)ccc3n2C)c1[N+](=O)[O-] ZINC001462130562 1061511630 /nfs/dbraw/zinc/51/16/30/1061511630.db2.gz WPTXLELEHCOTJF-UHFFFAOYSA-N 1 2 356.382 2.794 20 5 FFBDLO O=C(Nc1cccc2cnncc21)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001522760215 1062279191 /nfs/dbraw/zinc/27/91/91/1062279191.db2.gz HMOXRLLZQQBYEP-UHFFFAOYSA-N 1 2 360.333 2.976 20 5 FFBDLO C[C@H](NC(=O)c1cc(-n2cc[nH+]c2)ccc1O)c1cccc([N+](=O)[O-])c1 ZINC001464291198 1062527936 /nfs/dbraw/zinc/52/79/36/1062527936.db2.gz BIPXEORSWINYCK-LBPRGKRZSA-N 1 2 352.350 2.977 20 5 FFBDLO Cn1cc[nH+]c1C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccccc1 ZINC001470441868 1064335340 /nfs/dbraw/zinc/33/53/40/1064335340.db2.gz BUBWKIRSVHXGCI-KRWDZBQOSA-N 1 2 365.393 2.624 20 5 FFBDLO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001474060810 1065449088 /nfs/dbraw/zinc/44/90/88/1065449088.db2.gz BJPMDCKOBHMODW-YGRLFVJLSA-N 1 2 354.248 2.930 20 5 FFBDLO Cn1c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)nc2ccccc21 ZINC001583974810 1079290565 /nfs/dbraw/zinc/29/05/65/1079290565.db2.gz YVXURASTVSMEKK-UHFFFAOYSA-N 1 2 362.349 2.920 20 5 FFBDLO O=C(Nc1cnn2c1CCCC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001557923251 1075912541 /nfs/dbraw/zinc/91/25/41/1075912541.db2.gz XUBODKIKXMEYLX-UHFFFAOYSA-N 1 2 352.354 2.566 20 5 FFBDLO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC001559259797 1076140804 /nfs/dbraw/zinc/14/08/04/1076140804.db2.gz LSHNVDOWKMOVTI-QGZVFWFLSA-N 1 2 373.457 2.741 20 5 FFBDLO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC001559259797 1076140805 /nfs/dbraw/zinc/14/08/05/1076140805.db2.gz LSHNVDOWKMOVTI-QGZVFWFLSA-N 1 2 373.457 2.741 20 5 FFBDLO C[C@](CO)([NH2+]Cc1ccn(-c2ccccc2F)n1)c1cccc([N+](=O)[O-])c1 ZINC001560066019 1076221126 /nfs/dbraw/zinc/22/11/26/1076221126.db2.gz FZQYAJIERBVNGF-LJQANCHMSA-N 1 2 370.384 2.917 20 5 FFBDLO COc1ccc(OCC[N@@H+]2CCS[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC001560147200 1076236078 /nfs/dbraw/zinc/23/60/78/1076236078.db2.gz KXUQDKMQAQSRKO-ZDUSSCGKSA-N 1 2 366.361 2.962 20 5 FFBDLO COc1ccc(OCC[N@H+]2CCS[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC001560147200 1076236083 /nfs/dbraw/zinc/23/60/83/1076236083.db2.gz KXUQDKMQAQSRKO-ZDUSSCGKSA-N 1 2 366.361 2.962 20 5 FFBDLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC001561831707 1076430487 /nfs/dbraw/zinc/43/04/87/1076430487.db2.gz WPJSWVBUBHGSHK-UHFFFAOYSA-N 1 2 365.411 2.994 20 5 FFBDLO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC001570452209 1077206994 /nfs/dbraw/zinc/20/69/94/1077206994.db2.gz NGJVFSGVBIIRLA-UHFFFAOYSA-N 1 2 360.345 2.634 20 5 FFBDLO CN(CCCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1cccc[nH+]1 ZINC001588309442 1079969180 /nfs/dbraw/zinc/96/91/80/1079969180.db2.gz QCBQPXSLTJHOAY-UHFFFAOYSA-N 1 2 353.382 2.727 20 5 FFBDLO CNC(=O)CC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000093588702 250038580 /nfs/dbraw/zinc/03/85/80/250038580.db2.gz KHLLNHZNLUAKQV-UHFFFAOYSA-N 1 2 357.357 2.544 20 5 FFBDLO CCc1[nH]nc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1[N+](=O)[O-] ZINC000264597933 251319024 /nfs/dbraw/zinc/31/90/24/251319024.db2.gz HWQUNIBVGCSPOM-UHFFFAOYSA-N 1 2 364.431 2.575 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H]3[C@@H](O)C(F)(F)F)n2)cc1 ZINC000264632322 251330140 /nfs/dbraw/zinc/33/01/40/251330140.db2.gz VFWRVRSGOPORAH-WCQYABFASA-N 1 2 372.303 2.532 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H]3[C@@H](O)C(F)(F)F)n2)cc1 ZINC000264632322 251330145 /nfs/dbraw/zinc/33/01/45/251330145.db2.gz VFWRVRSGOPORAH-WCQYABFASA-N 1 2 372.303 2.532 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1C ZINC000268781962 251381883 /nfs/dbraw/zinc/38/18/83/251381883.db2.gz IVFCBMYKDFLJRQ-CYBMUJFWSA-N 1 2 364.427 2.503 20 5 FFBDLO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000272469715 252045741 /nfs/dbraw/zinc/04/57/41/252045741.db2.gz SYGOVUUPTCELFC-SNVBAGLBSA-N 1 2 366.324 2.939 20 5 FFBDLO CC(=O)Nc1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000032481792 208028518 /nfs/dbraw/zinc/02/85/18/208028518.db2.gz ZEGUYSXEKIWCHD-UHFFFAOYSA-N 1 2 365.349 2.991 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000276091368 256071625 /nfs/dbraw/zinc/07/16/25/256071625.db2.gz WBAVRDSVOBYNEV-XJKSGUPXSA-N 1 2 373.413 2.987 20 5 FFBDLO O=[N+]([O-])c1ccccc1NCc1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000278074653 256273963 /nfs/dbraw/zinc/27/39/63/256273963.db2.gz NNBZAHQUUADVMX-SWLSCSKDSA-N 1 2 359.386 2.516 20 5 FFBDLO O=[N+]([O-])c1ccccc1NCc1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000278074653 256273965 /nfs/dbraw/zinc/27/39/65/256273965.db2.gz NNBZAHQUUADVMX-SWLSCSKDSA-N 1 2 359.386 2.516 20 5 FFBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000286876475 257059668 /nfs/dbraw/zinc/05/96/68/257059668.db2.gz HXEZGFQVMSNZKK-WCQYABFASA-N 1 2 368.821 2.575 20 5 FFBDLO Cc1cccc2[nH+]c(CNC(=O)N(C)CCc3ccccc3[N+](=O)[O-])cn21 ZINC000287427231 257088655 /nfs/dbraw/zinc/08/86/55/257088655.db2.gz MMQFPYCPAPGDIR-UHFFFAOYSA-N 1 2 367.409 2.935 20 5 FFBDLO O=c1nc(C2CC[NH+](Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC2)[nH][nH]1 ZINC000289365841 257276640 /nfs/dbraw/zinc/27/66/40/257276640.db2.gz JKTSMTDQSLKTQA-UHFFFAOYSA-N 1 2 372.212 2.693 20 5 FFBDLO CN(C(=O)C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000289561410 257287373 /nfs/dbraw/zinc/28/73/73/257287373.db2.gz NTYIZRYZLDSYHR-SJLPKXTDSA-N 1 2 359.426 2.591 20 5 FFBDLO CN(C(=O)C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000289561410 257287374 /nfs/dbraw/zinc/28/73/74/257287374.db2.gz NTYIZRYZLDSYHR-SJLPKXTDSA-N 1 2 359.426 2.591 20 5 FFBDLO CC1(C)CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H]1[C@H]1CCCO1 ZINC000291210207 257391767 /nfs/dbraw/zinc/39/17/67/257391767.db2.gz LZGBPSOLIRXOIS-SJORKVTESA-N 1 2 370.409 2.810 20 5 FFBDLO COc1cc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c([N+](=O)[O-])cc1F ZINC000294270518 257580756 /nfs/dbraw/zinc/58/07/56/257580756.db2.gz DGOQRLRGGXIPMY-UHFFFAOYSA-N 1 2 374.372 2.668 20 5 FFBDLO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@]2(CCOC2)O1 ZINC000293946774 257567832 /nfs/dbraw/zinc/56/78/32/257567832.db2.gz BLYBYQYTJIISQL-XHDPSFHLSA-N 1 2 360.332 2.993 20 5 FFBDLO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@]2(CCOC2)O1 ZINC000293946774 257567833 /nfs/dbraw/zinc/56/78/33/257567833.db2.gz BLYBYQYTJIISQL-XHDPSFHLSA-N 1 2 360.332 2.993 20 5 FFBDLO C[C@@H]1C[NH+]=C(N2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)S1 ZINC000301363471 258044894 /nfs/dbraw/zinc/04/48/94/258044894.db2.gz RFAPMHIIKVUEJF-GFCCVEGCSA-N 1 2 357.439 2.756 20 5 FFBDLO CCOC(=O)C[N@@H+]1CCCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])CC1 ZINC000302049147 258084642 /nfs/dbraw/zinc/08/46/42/258084642.db2.gz ZNNDYMYWQFYICP-UHFFFAOYSA-N 1 2 372.425 2.527 20 5 FFBDLO CCOC(=O)C[N@H+]1CCCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])CC1 ZINC000302049147 258084644 /nfs/dbraw/zinc/08/46/44/258084644.db2.gz ZNNDYMYWQFYICP-UHFFFAOYSA-N 1 2 372.425 2.527 20 5 FFBDLO Cc1cc(N2CCN(Cc3[nH+]ccn3C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302050121 258084884 /nfs/dbraw/zinc/08/48/84/258084884.db2.gz ZVXLUDXQGXJDSV-UHFFFAOYSA-N 1 2 366.425 2.507 20 5 FFBDLO Cc1cccc(N2CC[NH+](Cc3cn4ccccc4n3)CC2)c1[N+](=O)[O-] ZINC000302505647 258103759 /nfs/dbraw/zinc/10/37/59/258103759.db2.gz QHSOYEUEIAOJDB-UHFFFAOYSA-N 1 2 351.410 2.873 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000301426483 258048939 /nfs/dbraw/zinc/04/89/39/258048939.db2.gz CNVSZNGXNVVJNG-IYBDPMFKSA-N 1 2 374.485 2.530 20 5 FFBDLO CCC(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000301447510 258050440 /nfs/dbraw/zinc/05/04/40/258050440.db2.gz ZTIJLNZGXWGHBX-HNNXBMFYSA-N 1 2 369.425 2.855 20 5 FFBDLO Cc1cc(N[C@@H](C)CO[C@@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301571343 258056512 /nfs/dbraw/zinc/05/65/12/258056512.db2.gz OAUOUCPNVXITCC-XJKSGUPXSA-N 1 2 358.398 2.966 20 5 FFBDLO CC[C@@H]1CCCC[N@@H+]1CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000301943813 258077557 /nfs/dbraw/zinc/07/75/57/258077557.db2.gz YSOXZXXZXKVALJ-LLVKDONJSA-N 1 2 361.489 2.736 20 5 FFBDLO CC[C@@H]1CCCC[N@H+]1CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000301943813 258077558 /nfs/dbraw/zinc/07/75/58/258077558.db2.gz YSOXZXXZXKVALJ-LLVKDONJSA-N 1 2 361.489 2.736 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H]2CCCCN2C[C@@H]1C ZINC000332007013 258209645 /nfs/dbraw/zinc/20/96/45/258209645.db2.gz JJQONTLPJIUVJF-DOTOQJQBSA-N 1 2 360.458 2.790 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H]2CCCCN2C[C@@H]1C ZINC000332007013 258209646 /nfs/dbraw/zinc/20/96/46/258209646.db2.gz JJQONTLPJIUVJF-DOTOQJQBSA-N 1 2 360.458 2.790 20 5 FFBDLO CCN(CC)c1ccc(CNc2ccc(C(=O)NC)cc2[N+](=O)[O-])c[nH+]1 ZINC000064914404 506239699 /nfs/dbraw/zinc/23/96/99/506239699.db2.gz OWPCHYXDPZJVMD-UHFFFAOYSA-N 1 2 357.414 2.808 20 5 FFBDLO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000065208505 506269399 /nfs/dbraw/zinc/26/93/99/506269399.db2.gz FUNRGVHHMFYANV-UHFFFAOYSA-N 1 2 368.393 2.732 20 5 FFBDLO CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000065208505 506269401 /nfs/dbraw/zinc/26/94/01/506269401.db2.gz FUNRGVHHMFYANV-UHFFFAOYSA-N 1 2 368.393 2.732 20 5 FFBDLO O=C(N[C@@H]1COc2ccccc2C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000053042875 506299675 /nfs/dbraw/zinc/29/96/75/506299675.db2.gz DGPDACSSHYAPOM-HNNXBMFYSA-N 1 2 364.361 2.514 20 5 FFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000053340703 506357330 /nfs/dbraw/zinc/35/73/30/506357330.db2.gz XYKCSQIZNRAXSR-MRXNPFEDSA-N 1 2 369.356 2.690 20 5 FFBDLO O=[N+]([O-])c1ccccc1C[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000054614046 506587011 /nfs/dbraw/zinc/58/70/11/506587011.db2.gz NNZPTCPXPAIWRY-UHFFFAOYSA-N 1 2 351.410 2.560 20 5 FFBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000054644745 506594322 /nfs/dbraw/zinc/59/43/22/506594322.db2.gz GXESYVHAPSGSTH-UHFFFAOYSA-N 1 2 369.425 2.632 20 5 FFBDLO Cc1c(NC(=O)[C@H](C)N2CC[NH+](Cc3ccco3)CC2)cccc1[N+](=O)[O-] ZINC000042539989 506634238 /nfs/dbraw/zinc/63/42/38/506634238.db2.gz ZWTNPERRTVCIBA-HNNXBMFYSA-N 1 2 372.425 2.641 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000067289838 506818992 /nfs/dbraw/zinc/81/89/92/506818992.db2.gz IEMLXDXLYCMNRM-GOSISDBHSA-N 1 2 365.393 2.646 20 5 FFBDLO O=C(CNc1ccccc1[N+](=O)[O-])NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000067293887 506820944 /nfs/dbraw/zinc/82/09/44/506820944.db2.gz BETYKFHXGMFVCZ-UHFFFAOYSA-N 1 2 369.425 2.708 20 5 FFBDLO O=[N+]([O-])c1cccc(C[NH+]2CCN(c3ncnc4sccc43)CC2)c1 ZINC000044714992 506879065 /nfs/dbraw/zinc/87/90/65/506879065.db2.gz URJBOCBHXBJXIR-UHFFFAOYSA-N 1 2 355.423 2.922 20 5 FFBDLO CCNc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000015345271 507034288 /nfs/dbraw/zinc/03/42/88/507034288.db2.gz CQZZWJMFFNJXIB-UHFFFAOYSA-N 1 2 368.437 2.985 20 5 FFBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000046099201 507077020 /nfs/dbraw/zinc/07/70/20/507077020.db2.gz GMCFNNZLOWRPFE-UHFFFAOYSA-N 1 2 366.381 2.517 20 5 FFBDLO O=[N+]([O-])c1ccc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000046577548 507154967 /nfs/dbraw/zinc/15/49/67/507154967.db2.gz VEDAKGNMLREPQI-SFHVURJKSA-N 1 2 372.381 2.988 20 5 FFBDLO C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744647 507387975 /nfs/dbraw/zinc/38/79/75/507387975.db2.gz BTHUIAXRSYQIFT-INIZCTEOSA-N 1 2 374.485 2.896 20 5 FFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000024249509 507399303 /nfs/dbraw/zinc/39/93/03/507399303.db2.gz WBZHNSATPCNJDX-MRXNPFEDSA-N 1 2 368.437 2.912 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000069252274 507446726 /nfs/dbraw/zinc/44/67/26/507446726.db2.gz HSGCQTIXVPKZEC-UHFFFAOYSA-N 1 2 355.354 2.881 20 5 FFBDLO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)[N@@H+]1CCc2ccccc2C1 ZINC000025463635 507503478 /nfs/dbraw/zinc/50/34/78/507503478.db2.gz ANVJSFAQZLXSPK-UHFFFAOYSA-N 1 2 369.421 2.867 20 5 FFBDLO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)[N@H+]1CCc2ccccc2C1 ZINC000025463635 507503483 /nfs/dbraw/zinc/50/34/83/507503483.db2.gz ANVJSFAQZLXSPK-UHFFFAOYSA-N 1 2 369.421 2.867 20 5 FFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375465710 512343915 /nfs/dbraw/zinc/34/39/15/512343915.db2.gz PRPPDXJUTHNCHU-WCQYABFASA-N 1 2 371.397 2.672 20 5 FFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375465710 512343918 /nfs/dbraw/zinc/34/39/18/512343918.db2.gz PRPPDXJUTHNCHU-WCQYABFASA-N 1 2 371.397 2.672 20 5 FFBDLO Cc1ccc(NC(=O)NC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1C ZINC000026348792 507581431 /nfs/dbraw/zinc/58/14/31/507581431.db2.gz RUQMXORXJAVEGA-UHFFFAOYSA-N 1 2 370.409 2.992 20 5 FFBDLO Cc1ccc(NC(=O)NC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1C ZINC000026348792 507581433 /nfs/dbraw/zinc/58/14/33/507581433.db2.gz RUQMXORXJAVEGA-UHFFFAOYSA-N 1 2 370.409 2.992 20 5 FFBDLO CN(C)c1[nH+]cccc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000049728647 507634597 /nfs/dbraw/zinc/63/45/97/507634597.db2.gz VDCXHPZWQODGQN-UHFFFAOYSA-N 1 2 369.425 2.911 20 5 FFBDLO CC(C)OC[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000373488841 512356514 /nfs/dbraw/zinc/35/65/14/512356514.db2.gz GKLVLQYMVOFRQK-SFHVURJKSA-N 1 2 374.441 2.621 20 5 FFBDLO CC(C)OC[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000373488841 512356517 /nfs/dbraw/zinc/35/65/17/512356517.db2.gz GKLVLQYMVOFRQK-SFHVURJKSA-N 1 2 374.441 2.621 20 5 FFBDLO O=C(c1ccccc1)c1ccc(NCCC[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000028915907 507749641 /nfs/dbraw/zinc/74/96/41/507749641.db2.gz YWBPPVUGLFGXAK-UHFFFAOYSA-N 1 2 369.421 2.960 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccc(Cl)cc1 ZINC000052400251 507807983 /nfs/dbraw/zinc/80/79/83/507807983.db2.gz KLHMXHDGTHYBJD-AWEZNQCLSA-N 1 2 359.773 2.829 20 5 FFBDLO Cc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000078072631 507830701 /nfs/dbraw/zinc/83/07/01/507830701.db2.gz SJWKMHQWNNXIHS-SFHVURJKSA-N 1 2 355.394 2.743 20 5 FFBDLO Cc1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000078072631 507830704 /nfs/dbraw/zinc/83/07/04/507830704.db2.gz SJWKMHQWNNXIHS-SFHVURJKSA-N 1 2 355.394 2.743 20 5 FFBDLO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000078189487 507845241 /nfs/dbraw/zinc/84/52/41/507845241.db2.gz HYBGUGHWPILYEN-AWEZNQCLSA-N 1 2 367.833 2.575 20 5 FFBDLO COc1ccc(NC(=O)C[NH+]2CCC(C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000072802411 507855360 /nfs/dbraw/zinc/85/53/60/507855360.db2.gz ISVBWFCDIYMHST-UHFFFAOYSA-N 1 2 361.320 2.816 20 5 FFBDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCS1 ZINC000072861298 507865616 /nfs/dbraw/zinc/86/56/16/507865616.db2.gz AJUSAJHIAWIQNE-WCQYABFASA-N 1 2 353.444 2.758 20 5 FFBDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCS1 ZINC000072861298 507865620 /nfs/dbraw/zinc/86/56/20/507865620.db2.gz AJUSAJHIAWIQNE-WCQYABFASA-N 1 2 353.444 2.758 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@@](O)(C(F)(F)F)C3)co2)cc1 ZINC000089908596 507881908 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FBRDQWRJNKITAG-SRVKXCTJSA-N 1 2 355.822 2.668 20 5 FFBDLO O=C(COc1ccccc1[N+](=O)[O-])NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000108988646 507930527 /nfs/dbraw/zinc/93/05/27/507930527.db2.gz JILPAZNXTWNJPI-UHFFFAOYSA-N 1 2 370.340 2.615 20 5 FFBDLO C[C@@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000110637569 508038805 /nfs/dbraw/zinc/03/88/05/508038805.db2.gz XQNHIAPYYOLGRA-OAHLLOKOSA-N 1 2 369.421 2.918 20 5 FFBDLO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1nccn1CC(F)(F)F ZINC000110911897 508056537 /nfs/dbraw/zinc/05/65/37/508056537.db2.gz ZWDNCDQSYDPUBR-UHFFFAOYSA-N 1 2 358.320 2.864 20 5 FFBDLO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1nccn1CC(F)(F)F ZINC000110911897 508056539 /nfs/dbraw/zinc/05/65/39/508056539.db2.gz ZWDNCDQSYDPUBR-UHFFFAOYSA-N 1 2 358.320 2.864 20 5 FFBDLO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075554287 508116792 /nfs/dbraw/zinc/11/67/92/508116792.db2.gz MLVQJYRKRJTDEU-AWEZNQCLSA-N 1 2 369.425 2.938 20 5 FFBDLO 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Cc1ccccc1CCNC(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153148446 508552873 /nfs/dbraw/zinc/55/28/73/508552873.db2.gz OLZUSQCTBUYXLY-UHFFFAOYSA-N 1 2 353.422 2.620 20 5 FFBDLO Cc1ccccc1CCNC(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153148446 508552878 /nfs/dbraw/zinc/55/28/78/508552878.db2.gz OLZUSQCTBUYXLY-UHFFFAOYSA-N 1 2 353.422 2.620 20 5 FFBDLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000135575865 508626483 /nfs/dbraw/zinc/62/64/83/508626483.db2.gz NVNAFZGXFHDOJT-HNNXBMFYSA-N 1 2 368.397 2.888 20 5 FFBDLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000135575865 508626484 /nfs/dbraw/zinc/62/64/84/508626484.db2.gz NVNAFZGXFHDOJT-HNNXBMFYSA-N 1 2 368.397 2.888 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1CCCc2c1cnn2C ZINC000135586137 508627280 /nfs/dbraw/zinc/62/72/80/508627280.db2.gz VPVJQGICFFKMMD-INIZCTEOSA-N 1 2 357.414 2.585 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1CCCc2c1cnn2C ZINC000135586137 508627282 /nfs/dbraw/zinc/62/72/82/508627282.db2.gz VPVJQGICFFKMMD-INIZCTEOSA-N 1 2 357.414 2.585 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000157927023 508633531 /nfs/dbraw/zinc/63/35/31/508633531.db2.gz ATJSSQWMSHWNFN-SOLBZPMBSA-N 1 2 350.415 2.762 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000157927023 508633536 /nfs/dbraw/zinc/63/35/36/508633536.db2.gz ATJSSQWMSHWNFN-SOLBZPMBSA-N 1 2 350.415 2.762 20 5 FFBDLO C[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1C[N@H+](C)CCO1 ZINC000129100262 508683250 /nfs/dbraw/zinc/68/32/50/508683250.db2.gz LMFMKOHYXQNCLN-MLGOLLRUSA-N 1 2 362.455 2.527 20 5 FFBDLO C[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1C[N@@H+](C)CCO1 ZINC000129100262 508683253 /nfs/dbraw/zinc/68/32/53/508683253.db2.gz LMFMKOHYXQNCLN-MLGOLLRUSA-N 1 2 362.455 2.527 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3nc(-c4ccsc4)no3)C2)nc1 ZINC000118866606 508689150 /nfs/dbraw/zinc/68/91/50/508689150.db2.gz FTKVGBTWKGPRBI-LBPRGKRZSA-N 1 2 372.410 2.788 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3nc(-c4ccsc4)no3)C2)nc1 ZINC000118866606 508689155 /nfs/dbraw/zinc/68/91/55/508689155.db2.gz FTKVGBTWKGPRBI-LBPRGKRZSA-N 1 2 372.410 2.788 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)cnc1N1C[C@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC000154027134 508701275 /nfs/dbraw/zinc/70/12/75/508701275.db2.gz IXIGRTVAWAUMMH-DLBZAZTESA-N 1 2 374.828 2.733 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)cnc1N1C[C@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC000154027134 508701279 /nfs/dbraw/zinc/70/12/79/508701279.db2.gz IXIGRTVAWAUMMH-DLBZAZTESA-N 1 2 374.828 2.733 20 5 FFBDLO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000154259824 508746984 /nfs/dbraw/zinc/74/69/84/508746984.db2.gz IWKMKADOQZWYJG-MSOLQXFVSA-N 1 2 373.384 2.505 20 5 FFBDLO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000154259824 508746988 /nfs/dbraw/zinc/74/69/88/508746988.db2.gz IWKMKADOQZWYJG-MSOLQXFVSA-N 1 2 373.384 2.505 20 5 FFBDLO CN(CCC1CCOCC1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000154439739 508785635 /nfs/dbraw/zinc/78/56/35/508785635.db2.gz BKXBEPYZQHLTNR-UHFFFAOYSA-N 1 2 358.398 2.669 20 5 FFBDLO COc1cc(C(=O)NCCn2c(C)[nH+]c3ccccc32)ccc1[N+](=O)[O-] ZINC000159147542 508799448 /nfs/dbraw/zinc/79/94/48/508799448.db2.gz TWOXODICHMOYKV-UHFFFAOYSA-N 1 2 354.366 2.692 20 5 FFBDLO CCc1cc(NC[C@@]2(CCO)CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000131596863 508953078 /nfs/dbraw/zinc/95/30/78/508953078.db2.gz LVORELCNQBLOGU-LJQANCHMSA-N 1 2 372.425 2.815 20 5 FFBDLO C[C@@H]1C[NH+](C[C@@H]2CCCN2c2c(F)cc([N+](=O)[O-])cc2F)C[C@@H](C)O1 ZINC000160500053 508995845 /nfs/dbraw/zinc/99/58/45/508995845.db2.gz UMBMEPPEOQEOAL-UPJWGTAASA-N 1 2 355.385 2.951 20 5 FFBDLO O=C(NCc1[nH]cc[nH+]1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000155452167 509004367 /nfs/dbraw/zinc/00/43/67/509004367.db2.gz FLVODXUJPXNDLM-UHFFFAOYSA-N 1 2 351.366 2.860 20 5 FFBDLO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000151453412 509019963 /nfs/dbraw/zinc/01/99/63/509019963.db2.gz UJCDOECICLQDBK-UHFFFAOYSA-N 1 2 359.451 2.933 20 5 FFBDLO C[C@H](c1nnnn1C1CC1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000192048265 509317075 /nfs/dbraw/zinc/31/70/75/509317075.db2.gz RRUZAEXLBKTBKA-GFCCVEGCSA-N 1 2 358.402 2.521 20 5 FFBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC000182600102 509324760 /nfs/dbraw/zinc/32/47/60/509324760.db2.gz DDIBTSMHCXJBJC-OAHLLOKOSA-N 1 2 370.331 2.884 20 5 FFBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC000182600102 509324767 /nfs/dbraw/zinc/32/47/67/509324767.db2.gz DDIBTSMHCXJBJC-OAHLLOKOSA-N 1 2 370.331 2.884 20 5 FFBDLO C[C@]1(c2ccccc2)C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000248459977 509331233 /nfs/dbraw/zinc/33/12/33/509331233.db2.gz OBVDWSFMRSUDBT-YLJYHZDGSA-N 1 2 372.421 2.582 20 5 FFBDLO C[C@]1(c2ccccc2)C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000248459977 509331237 /nfs/dbraw/zinc/33/12/37/509331237.db2.gz OBVDWSFMRSUDBT-YLJYHZDGSA-N 1 2 372.421 2.582 20 5 FFBDLO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3[nH+]ccn3C)cc2[N+](=O)[O-])C1 ZINC000264362588 509482523 /nfs/dbraw/zinc/48/25/23/509482523.db2.gz YUFCHVVEAOCOTE-ZIAGYGMSSA-N 1 2 371.441 2.741 20 5 FFBDLO COc1cc(C[NH2+]Cc2csc([C@@H](C)OC)n2)c([N+](=O)[O-])cc1O ZINC000267671413 509591339 /nfs/dbraw/zinc/59/13/39/509591339.db2.gz ZDXVNXCYAIAPKF-SECBINFHSA-N 1 2 353.400 2.763 20 5 FFBDLO Cc1ccc([C@H](C)NC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000176735523 509664375 /nfs/dbraw/zinc/66/43/75/509664375.db2.gz LJQMPIDLMCWRHO-HNNXBMFYSA-N 1 2 369.425 2.891 20 5 FFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCOCC3(CCOCC3)C2)c1 ZINC000183267530 509688639 /nfs/dbraw/zinc/68/86/39/509688639.db2.gz IISRXDZTDOBDRM-UHFFFAOYSA-N 1 2 372.368 2.825 20 5 FFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCOCC3(CCOCC3)C2)c1 ZINC000183267530 509688650 /nfs/dbraw/zinc/68/86/50/509688650.db2.gz IISRXDZTDOBDRM-UHFFFAOYSA-N 1 2 372.368 2.825 20 5 FFBDLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000170763282 509764541 /nfs/dbraw/zinc/76/45/41/509764541.db2.gz WHERKMPZQVFSTA-FZKQIMNGSA-N 1 2 355.394 2.656 20 5 FFBDLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000170763282 509764548 /nfs/dbraw/zinc/76/45/48/509764548.db2.gz WHERKMPZQVFSTA-FZKQIMNGSA-N 1 2 355.394 2.656 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000170789239 509778442 /nfs/dbraw/zinc/77/84/42/509778442.db2.gz GZTIMBXEXZBZQY-SFHVURJKSA-N 1 2 373.384 2.852 20 5 FFBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cn4cccnc4n3)CC2)cc1 ZINC000173799469 509785423 /nfs/dbraw/zinc/78/54/23/509785423.db2.gz FHOJMUMRGZDEAB-UHFFFAOYSA-N 1 2 353.382 2.681 20 5 FFBDLO CN(C)C(=O)CC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000180333361 509873279 /nfs/dbraw/zinc/87/32/79/509873279.db2.gz FRZFHGOEYFWFRT-UHFFFAOYSA-N 1 2 371.384 2.887 20 5 FFBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCc3cc(Cl)cc(Cl)c3C2)c1 ZINC000177133750 509891814 /nfs/dbraw/zinc/89/18/14/509891814.db2.gz AADNNYMFWOWJCJ-CYBMUJFWSA-N 1 2 371.224 2.517 20 5 FFBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCc3cc(Cl)cc(Cl)c3C2)c1 ZINC000177133750 509891819 /nfs/dbraw/zinc/89/18/19/509891819.db2.gz AADNNYMFWOWJCJ-CYBMUJFWSA-N 1 2 371.224 2.517 20 5 FFBDLO C[C@H]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@H]1n1cc[nH+]c1 ZINC000268374544 509894995 /nfs/dbraw/zinc/89/49/95/509894995.db2.gz LIDRBVNCYNSPMC-BLLLJJGKSA-N 1 2 353.382 2.996 20 5 FFBDLO COc1cc(C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000265214233 509924949 /nfs/dbraw/zinc/92/49/49/509924949.db2.gz FVVHCURWEDIICL-CQSZACIVSA-N 1 2 370.409 2.517 20 5 FFBDLO CC(C)(C)c1nc(CN2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000265448463 510059754 /nfs/dbraw/zinc/05/97/54/510059754.db2.gz SKTBADNBAAKLIL-UHFFFAOYSA-N 1 2 359.430 2.593 20 5 FFBDLO COc1cc(NC(=O)C[N@H+](C)Cc2cccc([N+](=O)[O-])c2C)cc(OC)c1 ZINC000177455144 510068865 /nfs/dbraw/zinc/06/88/65/510068865.db2.gz RLEALOWQQWXUDH-UHFFFAOYSA-N 1 2 373.409 2.991 20 5 FFBDLO COc1cc(NC(=O)C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2C)cc(OC)c1 ZINC000177455144 510068872 /nfs/dbraw/zinc/06/88/72/510068872.db2.gz RLEALOWQQWXUDH-UHFFFAOYSA-N 1 2 373.409 2.991 20 5 FFBDLO CCCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OCC)[C@H]1CCS(=O)(=O)C1 ZINC000177675674 510194023 /nfs/dbraw/zinc/19/40/23/510194023.db2.gz SHICKIVFADDJNJ-INIZCTEOSA-N 1 2 370.471 2.783 20 5 FFBDLO CCCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OCC)[C@H]1CCS(=O)(=O)C1 ZINC000177675674 510194028 /nfs/dbraw/zinc/19/40/28/510194028.db2.gz SHICKIVFADDJNJ-INIZCTEOSA-N 1 2 370.471 2.783 20 5 FFBDLO C[C@@H](c1nccs1)N1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000184614430 510418951 /nfs/dbraw/zinc/41/89/51/510418951.db2.gz VUPBKDXBWZTPKJ-AWEZNQCLSA-N 1 2 362.455 2.809 20 5 FFBDLO COC[C@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccco1 ZINC000184623896 510423947 /nfs/dbraw/zinc/42/39/47/510423947.db2.gz ASJYZIBSHIIMOW-RISCZKNCSA-N 1 2 363.370 2.501 20 5 FFBDLO COc1ccc(OC)c(C[NH+]2CCN(c3nc(C)ccc3[N+](=O)[O-])CC2)c1 ZINC000178149294 510458646 /nfs/dbraw/zinc/45/86/46/510458646.db2.gz DILRHSPXBMGJQQ-UHFFFAOYSA-N 1 2 372.425 2.638 20 5 FFBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000194671106 510472335 /nfs/dbraw/zinc/47/23/35/510472335.db2.gz RTHHXQKCOUEFBQ-UHFFFAOYSA-N 1 2 368.397 2.815 20 5 FFBDLO Cc1noc(C)c1C[NH+]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000269605756 510481164 /nfs/dbraw/zinc/48/11/64/510481164.db2.gz CCAQDYQBXICGNB-UHFFFAOYSA-N 1 2 352.341 2.800 20 5 FFBDLO Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c(OCC[NH+](C)C)c1 ZINC000184803598 510522256 /nfs/dbraw/zinc/52/22/56/510522256.db2.gz ASGLOYKCDNHHRB-UHFFFAOYSA-N 1 2 359.382 2.802 20 5 FFBDLO CCc1ccc([C@H](COC)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000184862915 510552579 /nfs/dbraw/zinc/55/25/79/510552579.db2.gz OANQYKVSERYYER-INIZCTEOSA-N 1 2 361.398 2.690 20 5 FFBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000172199595 510596688 /nfs/dbraw/zinc/59/66/88/510596688.db2.gz INTNQNWPYSJCPN-HNNXBMFYSA-N 1 2 369.425 2.578 20 5 FFBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000184960192 510604618 /nfs/dbraw/zinc/60/46/18/510604618.db2.gz DVWMCLFDCVRBCB-DTQAZKPQSA-N 1 2 366.421 2.738 20 5 FFBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCO[C@H]2CCCC[C@H]21 ZINC000246695134 510621957 /nfs/dbraw/zinc/62/19/57/510621957.db2.gz NAMUXYBUAZHHKZ-MOPGFXCFSA-N 1 2 373.453 2.729 20 5 FFBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCO[C@H]2CCCC[C@H]21 ZINC000246695134 510621962 /nfs/dbraw/zinc/62/19/62/510621962.db2.gz NAMUXYBUAZHHKZ-MOPGFXCFSA-N 1 2 373.453 2.729 20 5 FFBDLO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCN(C/C=C/c3ccccc3)CC2)c1 ZINC000178563389 510664933 /nfs/dbraw/zinc/66/49/33/510664933.db2.gz AFSCNGQZSLGPME-FERLCFGISA-N 1 2 367.449 2.959 20 5 FFBDLO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1nccs1 ZINC000185067938 510666779 /nfs/dbraw/zinc/66/67/79/510666779.db2.gz HWOITKMCADHTDE-LLVKDONJSA-N 1 2 350.400 2.739 20 5 FFBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)COc1cccc(-n2cc[nH+]c2)c1 ZINC000182291870 510844769 /nfs/dbraw/zinc/84/47/69/510844769.db2.gz TYGDGCKXAVVZTE-HNNXBMFYSA-N 1 2 355.350 2.599 20 5 FFBDLO C[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)CO1 ZINC000247359289 510858360 /nfs/dbraw/zinc/85/83/60/510858360.db2.gz HEXUMDZMHGHFMW-XFQXTVEOSA-N 1 2 372.421 2.797 20 5 FFBDLO C[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)CO1 ZINC000247359289 510858361 /nfs/dbraw/zinc/85/83/61/510858361.db2.gz HEXUMDZMHGHFMW-XFQXTVEOSA-N 1 2 372.421 2.797 20 5 FFBDLO COc1ccc(OCC[N@@H+]2CCCC[C@H]2c2nc(C)no2)c([N+](=O)[O-])c1 ZINC000285574399 510962983 /nfs/dbraw/zinc/96/29/83/510962983.db2.gz IEFYTXYOMIFNHX-AWEZNQCLSA-N 1 2 362.386 2.901 20 5 FFBDLO COc1ccc(OCC[N@H+]2CCCC[C@H]2c2nc(C)no2)c([N+](=O)[O-])c1 ZINC000285574399 510962986 /nfs/dbraw/zinc/96/29/86/510962986.db2.gz IEFYTXYOMIFNHX-AWEZNQCLSA-N 1 2 362.386 2.901 20 5 FFBDLO O=C(N[C@@H](C1CC1)C(F)(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000288516859 511078603 /nfs/dbraw/zinc/07/86/03/511078603.db2.gz HPXVXBNCFURNOT-ZDUSSCGKSA-N 1 2 354.288 2.851 20 5 FFBDLO O=C(CCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1cccc([N+](=O)[O-])c1 ZINC000294697276 511147207 /nfs/dbraw/zinc/14/72/07/511147207.db2.gz UZWHNAKSPUBKBI-CQSZACIVSA-N 1 2 356.382 2.687 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c([N+](=O)[O-])c1 ZINC000298206816 511208651 /nfs/dbraw/zinc/20/86/51/511208651.db2.gz DARONJNERFOCNT-GOEBONIOSA-N 1 2 369.368 2.909 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c([N+](=O)[O-])c1 ZINC000298206816 511208656 /nfs/dbraw/zinc/20/86/56/511208656.db2.gz DARONJNERFOCNT-GOEBONIOSA-N 1 2 369.368 2.909 20 5 FFBDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccco2)CC1)c1ccccc1[N+](=O)[O-] ZINC000271673096 511282945 /nfs/dbraw/zinc/28/29/45/511282945.db2.gz IMXSYDWDZVOXBA-CQSZACIVSA-N 1 2 358.398 2.776 20 5 FFBDLO C[C@@H]1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000295173557 511309377 /nfs/dbraw/zinc/30/93/77/511309377.db2.gz RXTVDQNEGDORDG-RHSMWYFYSA-N 1 2 370.409 2.864 20 5 FFBDLO Nc1ccc(NC[C@@H](c2cccc(F)c2)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000283745077 511483927 /nfs/dbraw/zinc/48/39/27/511483927.db2.gz JULGEIYZLFXNFB-SFHVURJKSA-N 1 2 360.389 2.802 20 5 FFBDLO O=[N+]([O-])c1cccnc1N1CCN(Cc2c[nH+]c3ccc(Cl)cn23)CC1 ZINC000296048882 511601644 /nfs/dbraw/zinc/60/16/44/511601644.db2.gz PKSWSCIUEVYQEZ-UHFFFAOYSA-N 1 2 372.816 2.613 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]cc(-c3nc([C@@H]4C[N@@H+](C5CC5)CCO4)no3)c2c1 ZINC000273775366 511604641 /nfs/dbraw/zinc/60/46/41/511604641.db2.gz FBDLIEFBVCOIKU-HNNXBMFYSA-N 1 2 355.354 2.662 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]cc(-c3nc([C@@H]4C[N@H+](C5CC5)CCO4)no3)c2c1 ZINC000273775366 511604646 /nfs/dbraw/zinc/60/46/46/511604646.db2.gz FBDLIEFBVCOIKU-HNNXBMFYSA-N 1 2 355.354 2.662 20 5 FFBDLO CN1CCO[C@H]2CC[N@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]21 ZINC000284208951 511642961 /nfs/dbraw/zinc/64/29/61/511642961.db2.gz CCHXBFMBVMFXRP-IRXDYDNUSA-N 1 2 374.466 2.623 20 5 FFBDLO CN1CCO[C@H]2CC[N@@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]21 ZINC000284208951 511642964 /nfs/dbraw/zinc/64/29/64/511642964.db2.gz CCHXBFMBVMFXRP-IRXDYDNUSA-N 1 2 374.466 2.623 20 5 FFBDLO C[N@@H+]1CCO[C@H]2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]21 ZINC000284208951 511642970 /nfs/dbraw/zinc/64/29/70/511642970.db2.gz CCHXBFMBVMFXRP-IRXDYDNUSA-N 1 2 374.466 2.623 20 5 FFBDLO C[N@H+]1CCO[C@H]2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]21 ZINC000284208951 511642975 /nfs/dbraw/zinc/64/29/75/511642975.db2.gz CCHXBFMBVMFXRP-IRXDYDNUSA-N 1 2 374.466 2.623 20 5 FFBDLO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(O)c1[N+](=O)[O-] ZINC000280958110 511667399 /nfs/dbraw/zinc/66/73/99/511667399.db2.gz NBXDHOPNAUZVCL-MRXNPFEDSA-N 1 2 369.421 2.595 20 5 FFBDLO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(O)c1[N+](=O)[O-] ZINC000280958110 511667401 /nfs/dbraw/zinc/66/74/01/511667401.db2.gz NBXDHOPNAUZVCL-MRXNPFEDSA-N 1 2 369.421 2.595 20 5 FFBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000363772885 511759001 /nfs/dbraw/zinc/75/90/01/511759001.db2.gz AHMIYJDJBDLAJW-GXDHUFHOSA-N 1 2 363.377 2.895 20 5 FFBDLO Cc1nc([N+](=O)[O-])c(-c2noc(-c3cccc(Cn4cc[nH+]c4)c3)n2)n1C ZINC000350271235 511762362 /nfs/dbraw/zinc/76/23/62/511762362.db2.gz DBVLIUVVQCDUCT-UHFFFAOYSA-N 1 2 365.353 2.599 20 5 FFBDLO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000363958791 511875113 /nfs/dbraw/zinc/87/51/13/511875113.db2.gz DGWZCPFXWYSLHG-LLVKDONJSA-N 1 2 370.818 2.806 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC=C(c3ccco3)C2)cc1 ZINC000285339473 512081558 /nfs/dbraw/zinc/08/15/58/512081558.db2.gz OSMFPTUMYNTAOS-UHFFFAOYSA-N 1 2 362.407 2.751 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC=C(c3ccco3)C2)cc1 ZINC000285339473 512081564 /nfs/dbraw/zinc/08/15/64/512081564.db2.gz OSMFPTUMYNTAOS-UHFFFAOYSA-N 1 2 362.407 2.751 20 5 FFBDLO Cc1cc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)nc(-c2ccncc2)[nH+]1 ZINC000369634895 512524630 /nfs/dbraw/zinc/52/46/30/512524630.db2.gz BMVVCEYSZSRDEN-UHFFFAOYSA-N 1 2 365.397 2.793 20 5 FFBDLO O=C(NCCc1ccccc1[N+](=O)[O-])NC1CCN(c2cccc[nH+]2)CC1 ZINC000369747544 512588045 /nfs/dbraw/zinc/58/80/45/512588045.db2.gz BVOQQOWGBAGPHZ-UHFFFAOYSA-N 1 2 369.425 2.501 20 5 FFBDLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000378197260 512635237 /nfs/dbraw/zinc/63/52/37/512635237.db2.gz WXPHNHSAEXGVIO-ZDUSSCGKSA-N 1 2 369.425 2.596 20 5 FFBDLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000378197260 512635241 /nfs/dbraw/zinc/63/52/41/512635241.db2.gz WXPHNHSAEXGVIO-ZDUSSCGKSA-N 1 2 369.425 2.596 20 5 FFBDLO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000367751195 512646620 /nfs/dbraw/zinc/64/66/20/512646620.db2.gz OPLDEZDWPFRSQK-UHFFFAOYSA-N 1 2 371.441 2.554 20 5 FFBDLO Cc1cc(N2CCC[C@@H](c3nnc[nH]3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000378222498 512646563 /nfs/dbraw/zinc/64/65/63/512646563.db2.gz WPNGYFHVSWKHKZ-CQSZACIVSA-N 1 2 365.397 2.862 20 5 FFBDLO Cc1c[nH+]ccc1OC1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000376138445 512678801 /nfs/dbraw/zinc/67/88/01/512678801.db2.gz BNVJWFQWEZFPSW-UHFFFAOYSA-N 1 2 357.366 2.687 20 5 FFBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000374378378 512801552 /nfs/dbraw/zinc/80/15/52/512801552.db2.gz RIPJNFHVQRSJHL-DYVFJYSZSA-N 1 2 372.450 2.644 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000372304438 512805202 /nfs/dbraw/zinc/80/52/02/512805202.db2.gz DYZSYWQBOQYTAU-INIZCTEOSA-N 1 2 371.441 2.850 20 5 FFBDLO Cc1nc([C@](C)([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C2CC2)no1 ZINC000411808920 512823463 /nfs/dbraw/zinc/82/34/63/512823463.db2.gz YJNXPHMHVBEPKU-QGZVFWFLSA-N 1 2 359.386 2.530 20 5 FFBDLO C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380478442 512873246 /nfs/dbraw/zinc/87/32/46/512873246.db2.gz TWPDZRPTKUPKFX-YOEHRIQHSA-N 1 2 369.421 2.941 20 5 FFBDLO C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000380478442 512873248 /nfs/dbraw/zinc/87/32/48/512873248.db2.gz TWPDZRPTKUPKFX-YOEHRIQHSA-N 1 2 369.421 2.941 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c([N+](=O)[O-])c1 ZINC000428735464 513177907 /nfs/dbraw/zinc/17/79/07/513177907.db2.gz DMIVSSGSGPHCFV-JMPLFQLZSA-N 1 2 369.368 2.908 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c([N+](=O)[O-])c1 ZINC000428735464 513177914 /nfs/dbraw/zinc/17/79/14/513177914.db2.gz DMIVSSGSGPHCFV-JMPLFQLZSA-N 1 2 369.368 2.908 20 5 FFBDLO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000450406254 513179350 /nfs/dbraw/zinc/17/93/50/513179350.db2.gz QEFCJSJAVDOJGU-ZDUSSCGKSA-N 1 2 365.393 2.659 20 5 FFBDLO CC(C)c1n[nH]c(C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000412697976 513229792 /nfs/dbraw/zinc/22/97/92/513229792.db2.gz MZNMZBCCDMKIFJ-CQSZACIVSA-N 1 2 371.441 2.788 20 5 FFBDLO CC(C)c1n[nH]c(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000412697976 513229795 /nfs/dbraw/zinc/22/97/95/513229795.db2.gz MZNMZBCCDMKIFJ-CQSZACIVSA-N 1 2 371.441 2.788 20 5 FFBDLO CC(C)c1[nH]nc(C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000412697976 513229796 /nfs/dbraw/zinc/22/97/96/513229796.db2.gz MZNMZBCCDMKIFJ-CQSZACIVSA-N 1 2 371.441 2.788 20 5 FFBDLO CC(C)c1[nH]nc(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000412697976 513229800 /nfs/dbraw/zinc/22/98/00/513229800.db2.gz MZNMZBCCDMKIFJ-CQSZACIVSA-N 1 2 371.441 2.788 20 5 FFBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@@H+]1Cc1ccccc1 ZINC000412701575 513233427 /nfs/dbraw/zinc/23/34/27/513233427.db2.gz UIGOITGOCCKDMT-CQSZACIVSA-N 1 2 355.394 2.647 20 5 FFBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@H+]1Cc1ccccc1 ZINC000412701575 513233435 /nfs/dbraw/zinc/23/34/35/513233435.db2.gz UIGOITGOCCKDMT-CQSZACIVSA-N 1 2 355.394 2.647 20 5 FFBDLO O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1Cc1[nH+]ccn1-c1ccccc1 ZINC000434645379 513377568 /nfs/dbraw/zinc/37/75/68/513377568.db2.gz KKSNFNXLKJGDAS-UHFFFAOYSA-N 1 2 363.333 2.646 20 5 FFBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000429503632 513393751 /nfs/dbraw/zinc/39/37/51/513393751.db2.gz IOQXOEPFGQJDBY-UHFFFAOYSA-N 1 2 360.439 2.878 20 5 FFBDLO O=C(NCC1CC1)[C@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413065975 513420032 /nfs/dbraw/zinc/42/00/32/513420032.db2.gz VELCCQHUGPRIRI-HNNXBMFYSA-N 1 2 354.410 2.886 20 5 FFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCCCc3nnc4n3CCCC4)c2c1 ZINC000413217423 513525796 /nfs/dbraw/zinc/52/57/96/513525796.db2.gz ZEDRDXNNLGUCDM-UHFFFAOYSA-N 1 2 352.398 2.537 20 5 FFBDLO CCn1c2ccccc2[nH+]c1CCNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447683991 513541207 /nfs/dbraw/zinc/54/12/07/513541207.db2.gz VYSITRLBSYWDJX-UHFFFAOYSA-N 1 2 350.382 2.917 20 5 FFBDLO Cc1c(NC(=O)NCc2[nH+]ccn2C)cc(Br)cc1[N+](=O)[O-] ZINC000435322749 513557227 /nfs/dbraw/zinc/55/72/27/513557227.db2.gz GNEOCDLDHNPWIK-UHFFFAOYSA-N 1 2 368.191 2.721 20 5 FFBDLO CCc1cc(N)nc(SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[nH+]1 ZINC000447786541 513567490 /nfs/dbraw/zinc/56/74/90/513567490.db2.gz MKRZXKUYRZGXNN-UHFFFAOYSA-N 1 2 367.818 2.744 20 5 FFBDLO C[C@H](O)CNc1cc(N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nc[nH+]1 ZINC000413308306 513583620 /nfs/dbraw/zinc/58/36/20/513583620.db2.gz CPIZCZHBVCCJQA-DZGCQCFKSA-N 1 2 357.414 2.562 20 5 FFBDLO C[C@H](O)CNc1cc(N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)[nH+]cn1 ZINC000413308306 513583625 /nfs/dbraw/zinc/58/36/25/513583625.db2.gz CPIZCZHBVCCJQA-DZGCQCFKSA-N 1 2 357.414 2.562 20 5 FFBDLO C[N@H+](CCCN1C(=O)c2ccccc2C1=O)Cc1c(F)cccc1[N+](=O)[O-] ZINC000425550718 513635110 /nfs/dbraw/zinc/63/51/10/513635110.db2.gz WRGYTCBUMSFFAM-UHFFFAOYSA-N 1 2 371.368 2.852 20 5 FFBDLO C[N@@H+](CCCN1C(=O)c2ccccc2C1=O)Cc1c(F)cccc1[N+](=O)[O-] ZINC000425550718 513635114 /nfs/dbraw/zinc/63/51/14/513635114.db2.gz WRGYTCBUMSFFAM-UHFFFAOYSA-N 1 2 371.368 2.852 20 5 FFBDLO CCCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@@H](C)C(=O)OCC ZINC000451434645 513748938 /nfs/dbraw/zinc/74/89/38/513748938.db2.gz PKLKMRJQJZESSU-ZDUSSCGKSA-N 1 2 374.397 2.584 20 5 FFBDLO COCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)(C)C ZINC000451516583 513802749 /nfs/dbraw/zinc/80/27/49/513802749.db2.gz JQQBFKJCLAUICF-MRXNPFEDSA-N 1 2 360.414 2.962 20 5 FFBDLO CCc1ccc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC[NH2+]2)cc1 ZINC000436506195 513876963 /nfs/dbraw/zinc/87/69/63/513876963.db2.gz VNZPUWZBPZZABY-KRWDZBQOSA-N 1 2 355.394 2.650 20 5 FFBDLO CN(C)c1ccc(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c[nH+]1 ZINC000426259616 513888366 /nfs/dbraw/zinc/88/83/66/513888366.db2.gz ZJFYZSPVGGGQTH-UHFFFAOYSA-N 1 2 369.425 2.930 20 5 FFBDLO C[C@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000413957364 513900395 /nfs/dbraw/zinc/90/03/95/513900395.db2.gz POFPVILOZLLNCT-AWEZNQCLSA-N 1 2 355.394 2.647 20 5 FFBDLO C[C@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000413957364 513900404 /nfs/dbraw/zinc/90/04/04/513900404.db2.gz POFPVILOZLLNCT-AWEZNQCLSA-N 1 2 355.394 2.647 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000448834789 513921921 /nfs/dbraw/zinc/92/19/21/513921921.db2.gz KAVMOURTUQTUCY-OAHLLOKOSA-N 1 2 366.381 2.871 20 5 FFBDLO C[N@@H+]1CCc2nc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])sc2C1 ZINC000432036856 514072442 /nfs/dbraw/zinc/07/24/42/514072442.db2.gz BQDUCZFSQWPFAL-UHFFFAOYSA-N 1 2 360.439 2.956 20 5 FFBDLO C[N@H+]1CCc2nc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])sc2C1 ZINC000432036856 514072450 /nfs/dbraw/zinc/07/24/50/514072450.db2.gz BQDUCZFSQWPFAL-UHFFFAOYSA-N 1 2 360.439 2.956 20 5 FFBDLO COc1cccc(C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)c1[N+](=O)[O-] ZINC000444340607 514198101 /nfs/dbraw/zinc/19/81/01/514198101.db2.gz JCUALRHWGJWKIS-UHFFFAOYSA-N 1 2 352.350 2.924 20 5 FFBDLO Cn1cc(Cl)c(CN[C@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)n1 ZINC000449479734 514224630 /nfs/dbraw/zinc/22/46/30/514224630.db2.gz MTUDGECBGNAHAM-HNNXBMFYSA-N 1 2 360.805 2.594 20 5 FFBDLO CN(C)c1ccc(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c[nH+]1 ZINC000437923808 514269312 /nfs/dbraw/zinc/26/93/12/514269312.db2.gz WBABWLNOQIXSCK-UHFFFAOYSA-N 1 2 369.425 2.930 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cccc2c1C[N@H+](C)C2 ZINC000427751462 514301872 /nfs/dbraw/zinc/30/18/72/514301872.db2.gz DSYZGPJOPFQCDE-UHFFFAOYSA-N 1 2 361.423 2.958 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cccc2c1C[N@@H+](C)C2 ZINC000427751462 514301879 /nfs/dbraw/zinc/30/18/79/514301879.db2.gz DSYZGPJOPFQCDE-UHFFFAOYSA-N 1 2 361.423 2.958 20 5 FFBDLO Cc1cc(CNC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc(C)[nH+]1 ZINC000420841685 514330179 /nfs/dbraw/zinc/33/01/79/514330179.db2.gz COHYKTOEVAGVEI-UHFFFAOYSA-N 1 2 369.425 2.638 20 5 FFBDLO COC(=O)[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC000449756249 514338976 /nfs/dbraw/zinc/33/89/76/514338976.db2.gz PFAPLIYTRKFGNX-SJORKVTESA-N 1 2 356.378 2.689 20 5 FFBDLO COC(=O)[C@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC000449756249 514338981 /nfs/dbraw/zinc/33/89/81/514338981.db2.gz PFAPLIYTRKFGNX-SJORKVTESA-N 1 2 356.378 2.689 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000452455249 514364881 /nfs/dbraw/zinc/36/48/81/514364881.db2.gz XISUSWPNUKILCD-INIZCTEOSA-N 1 2 357.414 2.740 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000450195562 514535458 /nfs/dbraw/zinc/53/54/58/514535458.db2.gz KRTPXLFJFNQXNX-HZPDHXFCSA-N 1 2 370.409 2.669 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000450244116 514561505 /nfs/dbraw/zinc/56/15/05/514561505.db2.gz MLDUZGPGJNIKKO-JTQLQIEISA-N 1 2 368.315 2.977 20 5 FFBDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461411260 514604237 /nfs/dbraw/zinc/60/42/37/514604237.db2.gz MJSKWNDOMOQKQQ-UHFFFAOYSA-N 1 2 366.377 2.674 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(Oc2ccccn2)CC1 ZINC000471160109 514776582 /nfs/dbraw/zinc/77/65/82/514776582.db2.gz JLDJDAJUDTVREG-CQSZACIVSA-N 1 2 370.409 2.860 20 5 FFBDLO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(F)cc1Br ZINC000485031209 514883138 /nfs/dbraw/zinc/88/31/38/514883138.db2.gz UQBJPEBRXXQFIT-UHFFFAOYSA-N 1 2 357.183 2.825 20 5 FFBDLO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(F)cc1Br ZINC000485031209 514883147 /nfs/dbraw/zinc/88/31/47/514883147.db2.gz UQBJPEBRXXQFIT-UHFFFAOYSA-N 1 2 357.183 2.825 20 5 FFBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000456041990 514918749 /nfs/dbraw/zinc/91/87/49/514918749.db2.gz SPPJIFYUORSVTB-CQSZACIVSA-N 1 2 358.402 2.615 20 5 FFBDLO CCN1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@@H]1c1[nH]cc[nH+]1 ZINC000480713494 515056621 /nfs/dbraw/zinc/05/66/21/515056621.db2.gz WANKZQVVIPQKBH-MRXNPFEDSA-N 1 2 352.398 2.749 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000498942507 515135967 /nfs/dbraw/zinc/13/59/67/515135967.db2.gz UKWJELVDLLPAGD-ZDUSSCGKSA-N 1 2 371.397 2.592 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000498942507 515135980 /nfs/dbraw/zinc/13/59/80/515135980.db2.gz UKWJELVDLLPAGD-ZDUSSCGKSA-N 1 2 371.397 2.592 20 5 FFBDLO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)cc1SC ZINC000456401748 515159957 /nfs/dbraw/zinc/15/99/57/515159957.db2.gz WAIFMNAOLJCFCE-GXSJLCMTSA-N 1 2 362.411 2.958 20 5 FFBDLO CN(CCc1nccs1)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000472357441 515242334 /nfs/dbraw/zinc/24/23/34/515242334.db2.gz BFJYPZSXWPDSQV-UHFFFAOYSA-N 1 2 362.455 2.562 20 5 FFBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@H](O)COCc1ccccc1 ZINC000509694146 515293415 /nfs/dbraw/zinc/29/34/15/515293415.db2.gz CZUXUKYKKHZHPY-HNNXBMFYSA-N 1 2 366.364 2.883 20 5 FFBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@H](O)COCc1ccccc1 ZINC000509694146 515293425 /nfs/dbraw/zinc/29/34/25/515293425.db2.gz CZUXUKYKKHZHPY-HNNXBMFYSA-N 1 2 366.364 2.883 20 5 FFBDLO COc1cc(C[N@H+](C)Cc2cn(C)nc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000492853342 515570731 /nfs/dbraw/zinc/57/07/31/515570731.db2.gz QJWRNTCQZRTWET-UHFFFAOYSA-N 1 2 358.320 2.988 20 5 FFBDLO COc1cc(C[N@@H+](C)Cc2cn(C)nc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000492853342 515570740 /nfs/dbraw/zinc/57/07/40/515570740.db2.gz QJWRNTCQZRTWET-UHFFFAOYSA-N 1 2 358.320 2.988 20 5 FFBDLO COc1c(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)cccc1[N+](=O)[O-] ZINC000505564547 515587871 /nfs/dbraw/zinc/58/78/71/515587871.db2.gz FKBCWELWLRLAET-OAHLLOKOSA-N 1 2 359.357 2.529 20 5 FFBDLO Cc1ccc([C@H](C)NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)cc1[N+](=O)[O-] ZINC000500100688 515590705 /nfs/dbraw/zinc/59/07/05/515590705.db2.gz TZBSVYASJBHXOJ-KBXCAEBGSA-N 1 2 361.442 2.581 20 5 FFBDLO Cc1ccc([C@H](C)NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)cc1[N+](=O)[O-] ZINC000500100688 515590712 /nfs/dbraw/zinc/59/07/12/515590712.db2.gz TZBSVYASJBHXOJ-KBXCAEBGSA-N 1 2 361.442 2.581 20 5 FFBDLO CCc1cc(NCCc2csc(=O)[nH]2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000477849937 515614464 /nfs/dbraw/zinc/61/44/64/515614464.db2.gz JJSHFADCAWEKJE-UHFFFAOYSA-N 1 2 371.422 2.853 20 5 FFBDLO O=[N+]([O-])c1cc(F)c(C[NH+]2CCC(Oc3cnccn3)CC2)c(F)c1 ZINC000510776357 515664848 /nfs/dbraw/zinc/66/48/48/515664848.db2.gz HVCRAWAQMVOGCG-UHFFFAOYSA-N 1 2 350.325 2.706 20 5 FFBDLO CCOc1ccc(C(=O)Nc2nc(C[NH+](C)C)cs2)cc1[N+](=O)[O-] ZINC000457284009 515779383 /nfs/dbraw/zinc/77/93/83/515779383.db2.gz DSHODPGHUUTNQZ-UHFFFAOYSA-N 1 2 350.400 2.764 20 5 FFBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000511121477 515791921 /nfs/dbraw/zinc/79/19/21/515791921.db2.gz KJLLNQGVPFQADL-UHFFFAOYSA-N 1 2 360.414 2.993 20 5 FFBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000511121477 515791928 /nfs/dbraw/zinc/79/19/28/515791928.db2.gz KJLLNQGVPFQADL-UHFFFAOYSA-N 1 2 360.414 2.993 20 5 FFBDLO Cc1cccc(C(=O)N2CCC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)c1 ZINC000506467574 515888724 /nfs/dbraw/zinc/88/87/24/515888724.db2.gz SZVDJGSTRBRQPM-UHFFFAOYSA-N 1 2 369.421 2.957 20 5 FFBDLO Cc1cccc(C(=O)N2CCC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)c1 ZINC000506467574 515888730 /nfs/dbraw/zinc/88/87/30/515888730.db2.gz SZVDJGSTRBRQPM-UHFFFAOYSA-N 1 2 369.421 2.957 20 5 FFBDLO CCOC(=O)c1coc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000474147704 515903469 /nfs/dbraw/zinc/90/34/69/515903469.db2.gz RZQDMFRLCLLLNS-UHFFFAOYSA-N 1 2 359.382 2.687 20 5 FFBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501072363 515967313 /nfs/dbraw/zinc/96/73/13/515967313.db2.gz IUKFGBOFPCGVEL-SECBINFHSA-N 1 2 368.191 2.764 20 5 FFBDLO Cn1c[nH+]cc1COc1ccc(I)cc1[N+](=O)[O-] ZINC000478916439 516006190 /nfs/dbraw/zinc/00/61/90/516006190.db2.gz SZUYNPXILDNXPW-UHFFFAOYSA-N 1 2 359.123 2.512 20 5 FFBDLO CN(C)c1[nH+]cccc1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000479071730 516045896 /nfs/dbraw/zinc/04/58/96/516045896.db2.gz RCFHIQSSOUUFGQ-UHFFFAOYSA-N 1 2 357.414 2.564 20 5 FFBDLO CCc1nc(CN2CC[NH+](C/C(C)=C\c3cccc([N+](=O)[O-])c3)CC2)no1 ZINC000470173702 516160098 /nfs/dbraw/zinc/16/00/98/516160098.db2.gz MOWSBDNPYZHKAJ-PTNGSMBKSA-N 1 2 371.441 2.761 20 5 FFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@@H](Cn2nc(C)nc2C)C1 ZINC000470173819 516160939 /nfs/dbraw/zinc/16/09/39/516160939.db2.gz GCMYUGLNWCICFO-CECLQJIQSA-N 1 2 371.441 2.607 20 5 FFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@@H](Cn2nc(C)nc2C)C1 ZINC000470173819 516160947 /nfs/dbraw/zinc/16/09/47/516160947.db2.gz GCMYUGLNWCICFO-CECLQJIQSA-N 1 2 371.441 2.607 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCOc2ccccc21 ZINC000512318361 516237421 /nfs/dbraw/zinc/23/74/21/516237421.db2.gz OIFMAPVBSDLVNF-UHFFFAOYSA-N 1 2 350.334 2.820 20 5 FFBDLO Cc1ccn2cc(CNC(=O)NCCc3ccccc3[N+](=O)[O-])[nH+]c2c1 ZINC000465723164 516239092 /nfs/dbraw/zinc/23/90/92/516239092.db2.gz MQYXAWNMZNMCOY-UHFFFAOYSA-N 1 2 353.382 2.593 20 5 FFBDLO O=C(Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000507731156 516289749 /nfs/dbraw/zinc/28/97/49/516289749.db2.gz IDYCBOFFEAPVKR-UHFFFAOYSA-N 1 2 352.354 2.770 20 5 FFBDLO NC(=O)N[C@@H]1CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000539895153 516342027 /nfs/dbraw/zinc/34/20/27/516342027.db2.gz NBBJNXBOKOHXGA-CQSZACIVSA-N 1 2 374.372 2.769 20 5 FFBDLO NC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000539895153 516342038 /nfs/dbraw/zinc/34/20/38/516342038.db2.gz NBBJNXBOKOHXGA-CQSZACIVSA-N 1 2 374.372 2.769 20 5 FFBDLO C[NH+](C)[C@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])c1ccccc1Cl ZINC000539935915 516362735 /nfs/dbraw/zinc/36/27/35/516362735.db2.gz YFQIZWYRGQIIQV-CQSZACIVSA-N 1 2 363.801 2.987 20 5 FFBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000539970647 516381037 /nfs/dbraw/zinc/38/10/37/516381037.db2.gz HOHHZSLLLKSIBP-CQSZACIVSA-N 1 2 356.382 2.546 20 5 FFBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000539970647 516381047 /nfs/dbraw/zinc/38/10/47/516381047.db2.gz HOHHZSLLLKSIBP-CQSZACIVSA-N 1 2 356.382 2.546 20 5 FFBDLO CCCc1n[nH]c(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)c1[N+](=O)[O-] ZINC000517643615 516395248 /nfs/dbraw/zinc/39/52/48/516395248.db2.gz CECRYCYTYZTPOG-UHFFFAOYSA-N 1 2 362.777 2.502 20 5 FFBDLO O=[N+]([O-])c1ccc(OCC[NH+]2CCN(c3ncccc3Cl)CC2)cc1 ZINC000535553422 516397299 /nfs/dbraw/zinc/39/72/99/516397299.db2.gz HCYUEODQHXZZOY-UHFFFAOYSA-N 1 2 362.817 2.844 20 5 FFBDLO COc1cc[nH+]cc1CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000554368001 516408906 /nfs/dbraw/zinc/40/89/06/516408906.db2.gz XFAJYBSNSGJXBY-UHFFFAOYSA-N 1 2 355.272 2.947 20 5 FFBDLO Cc1ccn2cc(CNc3sc(S(C)(=O)=O)cc3[N+](=O)[O-])[nH+]c2c1 ZINC000512918269 516412573 /nfs/dbraw/zinc/41/25/73/516412573.db2.gz YQLJWDWVGXALQW-UHFFFAOYSA-N 1 2 366.424 2.628 20 5 FFBDLO CC(C)C[C@@H](C)N(C)C(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000531381680 516441253 /nfs/dbraw/zinc/44/12/53/516441253.db2.gz PBYCRRCXFCLOHQ-MRXNPFEDSA-N 1 2 362.474 2.610 20 5 FFBDLO Cc1cn2cc(NC(=O)NCCOc3ccc([N+](=O)[O-])cc3)ccc2[nH+]1 ZINC000523425433 516466210 /nfs/dbraw/zinc/46/62/10/516466210.db2.gz RNMRRBWDYNKASE-UHFFFAOYSA-N 1 2 355.354 2.751 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000558107533 516597445 /nfs/dbraw/zinc/59/74/45/516597445.db2.gz XMVAHQFHTSKGHR-INIZCTEOSA-N 1 2 370.409 2.528 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000558107533 516597451 /nfs/dbraw/zinc/59/74/51/516597451.db2.gz XMVAHQFHTSKGHR-INIZCTEOSA-N 1 2 370.409 2.528 20 5 FFBDLO COc1cc[nH+]cc1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000558252500 516665932 /nfs/dbraw/zinc/66/59/32/516665932.db2.gz NSFBGFCBMKYYEE-UHFFFAOYSA-N 1 2 366.171 2.691 20 5 FFBDLO O=[N+]([O-])c1cc(I)cc(COCc2[nH]cc[nH+]2)c1 ZINC000558462412 516755576 /nfs/dbraw/zinc/75/55/76/516755576.db2.gz VYOAUSDLRGWJBG-UHFFFAOYSA-N 1 2 359.123 2.639 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3c[nH]c(-c4ccccc4)n3)CC2)cn1 ZINC000536637762 516867289 /nfs/dbraw/zinc/86/72/89/516867289.db2.gz JEENIVFDKHIRLM-UHFFFAOYSA-N 1 2 364.409 2.702 20 5 FFBDLO Nc1c(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000562054812 516899037 /nfs/dbraw/zinc/89/90/37/516899037.db2.gz UAMHMZLLBNLMAT-UHFFFAOYSA-N 1 2 371.784 2.946 20 5 FFBDLO Cn1c[nH+]c2cc(Nc3sc(S(C)(=O)=O)cc3[N+](=O)[O-])ccc21 ZINC000541190930 516922948 /nfs/dbraw/zinc/92/29/48/516922948.db2.gz PIERFDKQJWULCV-UHFFFAOYSA-N 1 2 352.397 2.690 20 5 FFBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](CC[S@@](=O)c2ccccc2)CC1 ZINC000532463942 516989232 /nfs/dbraw/zinc/98/92/32/516989232.db2.gz BARHEPDWDASRGB-RUZDIDTESA-N 1 2 359.451 2.525 20 5 FFBDLO C[C@@H](C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000555736785 517092799 /nfs/dbraw/zinc/09/27/99/517092799.db2.gz LVPGELWFRXIZKF-OAHLLOKOSA-N 1 2 369.421 2.748 20 5 FFBDLO CCOC(=O)c1cc(C(=O)Nc2ccn3cc[nH+]c3c2)cc([N+](=O)[O-])c1 ZINC000520207839 517299457 /nfs/dbraw/zinc/29/94/57/517299457.db2.gz GQPKUBPJWUMSMR-UHFFFAOYSA-N 1 2 354.322 2.672 20 5 FFBDLO CC[N@@H+]1CC[C@@H](Nc2c([N+](=O)[O-])ncn2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542037834 517352536 /nfs/dbraw/zinc/35/25/36/517352536.db2.gz XIDLHWQBCALEPU-TZMCWYRMSA-N 1 2 369.347 2.993 20 5 FFBDLO CC[N@H+]1CC[C@@H](Nc2c([N+](=O)[O-])ncn2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542037834 517352539 /nfs/dbraw/zinc/35/25/39/517352539.db2.gz XIDLHWQBCALEPU-TZMCWYRMSA-N 1 2 369.347 2.993 20 5 FFBDLO CCOC1CC2(C1)CCN(C(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)C2 ZINC000553196805 517570092 /nfs/dbraw/zinc/57/00/92/517570092.db2.gz DZZCLGJPNJYZKA-UHFFFAOYSA-N 1 2 370.409 2.812 20 5 FFBDLO CCc1cc(N[C@H]2CCc3[nH]c[nH+]c3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000549519925 517598737 /nfs/dbraw/zinc/59/87/37/517598737.db2.gz DWUNMYIUABCNNO-AWEZNQCLSA-N 1 2 364.409 2.729 20 5 FFBDLO CNc1nccc(C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)c1[N+](=O)[O-] ZINC000553405236 517694685 /nfs/dbraw/zinc/69/46/85/517694685.db2.gz GMFGKXZKURAXJB-UHFFFAOYSA-N 1 2 365.349 2.893 20 5 FFBDLO O=C(c1cccc(F)c1)N1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000549770686 517699850 /nfs/dbraw/zinc/69/98/50/517699850.db2.gz YBJCAPFPVNGTCG-UHFFFAOYSA-N 1 2 373.384 2.788 20 5 FFBDLO O=C(c1cccc(F)c1)N1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000549770686 517699856 /nfs/dbraw/zinc/69/98/56/517699856.db2.gz YBJCAPFPVNGTCG-UHFFFAOYSA-N 1 2 373.384 2.788 20 5 FFBDLO C[C@](CO)([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(O)c1 ZINC000517057348 518002605 /nfs/dbraw/zinc/00/26/05/518002605.db2.gz OGMPYKFBGPJMPZ-LJQANCHMSA-N 1 2 369.377 2.953 20 5 FFBDLO O=C(COc1ccccc1[N+](=O)[O-])N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543392015 518064218 /nfs/dbraw/zinc/06/42/18/518064218.db2.gz CAWUTWJDRUXUBQ-UHFFFAOYSA-N 1 2 372.425 2.889 20 5 FFBDLO CC[N@@H+]1C[C@H](C)N(c2ncc([N+](=O)[O-])c(C)c2Br)C[C@@H]1C ZINC000543435042 518088415 /nfs/dbraw/zinc/08/84/15/518088415.db2.gz BUZFXGKMZPJDNC-UWVGGRQHSA-N 1 2 357.252 2.980 20 5 FFBDLO CC[N@H+]1C[C@H](C)N(c2ncc([N+](=O)[O-])c(C)c2Br)C[C@@H]1C ZINC000543435042 518088419 /nfs/dbraw/zinc/08/84/19/518088419.db2.gz BUZFXGKMZPJDNC-UWVGGRQHSA-N 1 2 357.252 2.980 20 5 FFBDLO COc1cccc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)c1[N+](=O)[O-] ZINC000582100557 518586724 /nfs/dbraw/zinc/58/67/24/518586724.db2.gz OMIXBZAQHSKCOE-MRXNPFEDSA-N 1 2 366.377 2.856 20 5 FFBDLO O=C(NCC1([NH+]2CCOCC2)CC1)c1cc2ccccc2c2cccnc12 ZINC000576655633 518698002 /nfs/dbraw/zinc/69/80/02/518698002.db2.gz QPEHSJBZHMEYKP-UHFFFAOYSA-N 1 2 361.445 2.983 20 5 FFBDLO Cc1c(Cl)cc(S(=O)(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)cc1[N+](=O)[O-] ZINC000574626282 519249589 /nfs/dbraw/zinc/24/95/89/519249589.db2.gz FAHPEMDNTOHFKD-CYBMUJFWSA-N 1 2 372.834 2.955 20 5 FFBDLO COc1cccc2c1C[N@@H+]([C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000590759619 519354717 /nfs/dbraw/zinc/35/47/17/519354717.db2.gz AGMLVLAYJDHFSE-ZDUSSCGKSA-N 1 2 355.394 2.989 20 5 FFBDLO COc1cccc2c1C[N@H+]([C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000590759619 519354722 /nfs/dbraw/zinc/35/47/22/519354722.db2.gz AGMLVLAYJDHFSE-ZDUSSCGKSA-N 1 2 355.394 2.989 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]Cc1cccc(CO)c1)c1cccc([N+](=O)[O-])c1 ZINC000569485275 519576162 /nfs/dbraw/zinc/57/61/62/519576162.db2.gz NDSORDYHHQPVEN-GOSISDBHSA-N 1 2 352.394 2.700 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@H](OC2CCC2)C1 ZINC000594387970 519933603 /nfs/dbraw/zinc/93/36/03/519933603.db2.gz IHTKICICNTWYEO-INIZCTEOSA-N 1 2 370.409 2.954 20 5 FFBDLO CO[C@@H](C)c1nc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)cs1 ZINC000602966144 519997370 /nfs/dbraw/zinc/99/73/70/519997370.db2.gz YEHUOQPVYBJXDT-MEDUHNTESA-N 1 2 351.428 2.756 20 5 FFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000600206269 520123847 /nfs/dbraw/zinc/12/38/47/520123847.db2.gz DHROXYNVFVMHIY-BGXJKKHCSA-N 1 2 350.440 2.650 20 5 FFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000600206269 520123857 /nfs/dbraw/zinc/12/38/57/520123857.db2.gz DHROXYNVFVMHIY-BGXJKKHCSA-N 1 2 350.440 2.650 20 5 FFBDLO Cc1ccc(C[N@@H+](C)[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)s1 ZINC000609076292 520186087 /nfs/dbraw/zinc/18/60/87/520186087.db2.gz UYDSLDXRNPAWCX-HNNXBMFYSA-N 1 2 359.407 2.729 20 5 FFBDLO Cc1ccc(C[N@H+](C)[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)s1 ZINC000609076292 520186092 /nfs/dbraw/zinc/18/60/92/520186092.db2.gz UYDSLDXRNPAWCX-HNNXBMFYSA-N 1 2 359.407 2.729 20 5 FFBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609131297 520199684 /nfs/dbraw/zinc/19/96/84/520199684.db2.gz MDNIVTMGGHYZSU-MRXNPFEDSA-N 1 2 353.382 2.610 20 5 FFBDLO O=C(CN1CCC[C@H](n2cc[nH+]c2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000609157397 520213849 /nfs/dbraw/zinc/21/38/49/520213849.db2.gz IUJAGZLZYXYMKG-ZDUSSCGKSA-N 1 2 363.805 2.720 20 5 FFBDLO CN(Cc1c[nH+]c[nH]1)C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000597862106 520290953 /nfs/dbraw/zinc/29/09/53/520290953.db2.gz GKEZXRYQIVXNIR-UHFFFAOYSA-N 1 2 371.319 2.797 20 5 FFBDLO CN(Cc1c[nH]c[nH+]1)C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000597862106 520290960 /nfs/dbraw/zinc/29/09/60/520290960.db2.gz GKEZXRYQIVXNIR-UHFFFAOYSA-N 1 2 371.319 2.797 20 5 FFBDLO CC[C@@H](COCC1CC1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000597919551 520323179 /nfs/dbraw/zinc/32/31/79/520323179.db2.gz NEYZTZDAHOKXPR-HNNXBMFYSA-N 1 2 358.398 2.716 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3nsc4ccccc34)CC2)cn1 ZINC000595286637 520385655 /nfs/dbraw/zinc/38/56/55/520385655.db2.gz IXHKUNRJWGBAPN-UHFFFAOYSA-N 1 2 355.423 2.922 20 5 FFBDLO Cc1ccc2[nH+]c(CNS(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)cn2c1 ZINC000617227660 520386592 /nfs/dbraw/zinc/38/65/92/520386592.db2.gz YBZCVEKACRHKQZ-UHFFFAOYSA-N 1 2 374.422 2.646 20 5 FFBDLO Cc1noc(CN(Cc2ccccc2)[C@@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000595311458 520400447 /nfs/dbraw/zinc/40/04/47/520400447.db2.gz KKXYNXQCXXSGGK-HNNXBMFYSA-N 1 2 374.441 2.614 20 5 FFBDLO Cc1noc(C[N@H+](Cc2ccccc2)[C@@H](C)CN2CCOCC2)c1[N+](=O)[O-] ZINC000595311458 520400453 /nfs/dbraw/zinc/40/04/53/520400453.db2.gz KKXYNXQCXXSGGK-HNNXBMFYSA-N 1 2 374.441 2.614 20 5 FFBDLO Cc1noc(C[N@@H+](Cc2ccccc2)[C@@H](C)CN2CCOCC2)c1[N+](=O)[O-] ZINC000595311458 520400457 /nfs/dbraw/zinc/40/04/57/520400457.db2.gz KKXYNXQCXXSGGK-HNNXBMFYSA-N 1 2 374.441 2.614 20 5 FFBDLO C[C@]1(CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1(F)F ZINC000598214937 520499617 /nfs/dbraw/zinc/49/96/17/520499617.db2.gz IRTVWILZDSSUHH-HNNXBMFYSA-N 1 2 350.325 2.946 20 5 FFBDLO Cn1c(NCc2cc3c(cc2[N+](=O)[O-])OCCO3)[nH+]c2cccc(Cl)c21 ZINC000613445155 520505738 /nfs/dbraw/zinc/50/57/38/520505738.db2.gz OFXXNXBDNYQIPB-UHFFFAOYSA-N 1 2 374.784 2.940 20 5 FFBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000604484737 520575768 /nfs/dbraw/zinc/57/57/68/520575768.db2.gz NCIMVJULKUUXGE-UHFFFAOYSA-N 1 2 354.410 2.752 20 5 FFBDLO C[C@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000598458941 520627232 /nfs/dbraw/zinc/62/72/32/520627232.db2.gz ACHPUGRILYRBRR-VIFPVBQESA-N 1 2 372.303 2.760 20 5 FFBDLO COC(=O)C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCCCC1 ZINC000595663074 520631534 /nfs/dbraw/zinc/63/15/34/520631534.db2.gz GYJMAGKRGYPCMB-UHFFFAOYSA-N 1 2 364.398 2.769 20 5 FFBDLO COC(=O)C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCCCC1 ZINC000595663074 520631542 /nfs/dbraw/zinc/63/15/42/520631542.db2.gz GYJMAGKRGYPCMB-UHFFFAOYSA-N 1 2 364.398 2.769 20 5 FFBDLO COc1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000595759197 520704402 /nfs/dbraw/zinc/70/44/02/520704402.db2.gz JKHFOTGXZMLBIW-CYBMUJFWSA-N 1 2 355.394 2.989 20 5 FFBDLO COc1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000595759197 520704407 /nfs/dbraw/zinc/70/44/07/520704407.db2.gz JKHFOTGXZMLBIW-CYBMUJFWSA-N 1 2 355.394 2.989 20 5 FFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595822425 520746477 /nfs/dbraw/zinc/74/64/77/520746477.db2.gz UEJSOPRYYIWZIK-ZDUSSCGKSA-N 1 2 359.426 2.813 20 5 FFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595822425 520746487 /nfs/dbraw/zinc/74/64/87/520746487.db2.gz UEJSOPRYYIWZIK-ZDUSSCGKSA-N 1 2 359.426 2.813 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595822447 520747913 /nfs/dbraw/zinc/74/79/13/520747913.db2.gz VKVODDJEVMAMDI-UHFFFAOYSA-N 1 2 359.426 2.733 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595822447 520747921 /nfs/dbraw/zinc/74/79/21/520747921.db2.gz VKVODDJEVMAMDI-UHFFFAOYSA-N 1 2 359.426 2.733 20 5 FFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000610701504 520803642 /nfs/dbraw/zinc/80/36/42/520803642.db2.gz TYIWQNSDFCEMRA-GFCCVEGCSA-N 1 2 365.393 2.898 20 5 FFBDLO CC(C)O[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000593239862 520850178 /nfs/dbraw/zinc/85/01/78/520850178.db2.gz CELUBGDCKDYYFI-OAHLLOKOSA-N 1 2 358.398 2.810 20 5 FFBDLO CCOCC[NH+]1CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596116239 520921502 /nfs/dbraw/zinc/92/15/02/520921502.db2.gz ZIWVYTPDMKVXAL-UHFFFAOYSA-N 1 2 358.236 2.516 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1c2ccccc2CN(C)C1=O ZINC000598941667 520932400 /nfs/dbraw/zinc/93/24/00/520932400.db2.gz ZLTGDMXZSCZWMY-SGTLLEGYSA-N 1 2 355.394 2.967 20 5 FFBDLO NC(=O)c1cc(N2CC[NH+](Cc3ccccc3Cl)CC2)ccc1[N+](=O)[O-] ZINC000596167960 520948051 /nfs/dbraw/zinc/94/80/51/520948051.db2.gz JRLFTORSXARBKR-UHFFFAOYSA-N 1 2 374.828 2.669 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601854149 520989753 /nfs/dbraw/zinc/98/97/53/520989753.db2.gz FLNSZIILDKNHFF-UHFFFAOYSA-N 1 2 372.450 2.781 20 5 FFBDLO Cc1ccc(NCCCNC(=O)Cc2cn3c([nH+]2)CCCC3)c([N+](=O)[O-])c1 ZINC000593482687 521023330 /nfs/dbraw/zinc/02/33/30/521023330.db2.gz BWGKLNKJXVQGDK-UHFFFAOYSA-N 1 2 371.441 2.597 20 5 FFBDLO Cc1cc(N[C@@H]2CCC[C@H]([S@@](C)=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596375324 521044103 /nfs/dbraw/zinc/04/41/03/521044103.db2.gz PZENILAMIATBDP-WVYTTYECSA-N 1 2 374.466 2.884 20 5 FFBDLO Cc1cc(N[C@@H]2CCC[C@@H]([S@](C)=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596375323 521044130 /nfs/dbraw/zinc/04/41/30/521044130.db2.gz PZENILAMIATBDP-UZPXWBGZSA-N 1 2 374.466 2.884 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[C@]2(CC2(F)F)C1 ZINC000593521696 521047775 /nfs/dbraw/zinc/04/77/75/521047775.db2.gz OHXQMVHXRWCDQD-INIZCTEOSA-N 1 2 353.369 2.663 20 5 FFBDLO COc1cc(C[N@H+](C)Cc2cn[nH]c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000611271904 521071573 /nfs/dbraw/zinc/07/15/73/521071573.db2.gz IJHARFXEYAAXSO-UHFFFAOYSA-N 1 2 374.319 2.900 20 5 FFBDLO COc1cc(C[N@@H+](C)Cc2cn[nH]c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000611271904 521071582 /nfs/dbraw/zinc/07/15/82/521071582.db2.gz IJHARFXEYAAXSO-UHFFFAOYSA-N 1 2 374.319 2.900 20 5 FFBDLO Cn1cc(Cl)cc1C[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611285908 521082065 /nfs/dbraw/zinc/08/20/65/521082065.db2.gz ONCZYKWKFVAHBK-UHFFFAOYSA-N 1 2 351.790 2.990 20 5 FFBDLO Cn1cc(Cl)cc1C[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611285908 521082074 /nfs/dbraw/zinc/08/20/74/521082074.db2.gz ONCZYKWKFVAHBK-UHFFFAOYSA-N 1 2 351.790 2.990 20 5 FFBDLO COc1ccc(CNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000602078870 521130603 /nfs/dbraw/zinc/13/06/03/521130603.db2.gz ARQIOHAZPYXNJN-CYBMUJFWSA-N 1 2 372.303 2.610 20 5 FFBDLO CC[C@H]1C[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)[C@@H](CC)CO1 ZINC000593661142 521137044 /nfs/dbraw/zinc/13/70/44/521137044.db2.gz JSGKARDXDXQTNG-GJZGRUSLSA-N 1 2 366.414 2.536 20 5 FFBDLO CC[C@H]1C[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)[C@@H](CC)CO1 ZINC000593661142 521137050 /nfs/dbraw/zinc/13/70/50/521137050.db2.gz JSGKARDXDXQTNG-GJZGRUSLSA-N 1 2 366.414 2.536 20 5 FFBDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)NCCc2cccc([N+](=O)[O-])c2)cc1 ZINC000602131904 521163472 /nfs/dbraw/zinc/16/34/72/521163472.db2.gz MKAJJCGHVXMBGM-LJQANCHMSA-N 1 2 369.421 2.537 20 5 FFBDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)NCCc2cccc([N+](=O)[O-])c2)cc1 ZINC000602131904 521163477 /nfs/dbraw/zinc/16/34/77/521163477.db2.gz MKAJJCGHVXMBGM-LJQANCHMSA-N 1 2 369.421 2.537 20 5 FFBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](OC(F)F)C2)cccc1[N+](=O)[O-] ZINC000611576448 521231189 /nfs/dbraw/zinc/23/11/89/521231189.db2.gz ALTXZNPUYKOWEN-NWDGAFQWSA-N 1 2 357.357 2.934 20 5 FFBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](OC(F)F)C2)cccc1[N+](=O)[O-] ZINC000611576448 521231193 /nfs/dbraw/zinc/23/11/93/521231193.db2.gz ALTXZNPUYKOWEN-NWDGAFQWSA-N 1 2 357.357 2.934 20 5 FFBDLO COc1cc(C[N@@H+]2CCOCC3(CC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000611815658 521348276 /nfs/dbraw/zinc/34/82/76/521348276.db2.gz VVYFJXSZAUJTMS-UHFFFAOYSA-N 1 2 358.341 2.817 20 5 FFBDLO COc1cc(C[N@H+]2CCOCC3(CC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000611815658 521348286 /nfs/dbraw/zinc/34/82/86/521348286.db2.gz VVYFJXSZAUJTMS-UHFFFAOYSA-N 1 2 358.341 2.817 20 5 FFBDLO Cc1cnc(OC2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)nc1 ZINC000594020059 521354702 /nfs/dbraw/zinc/35/47/02/521354702.db2.gz BAXNXELVBHZUAT-UHFFFAOYSA-N 1 2 369.381 2.878 20 5 FFBDLO C[C@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC2(CCCCC2)O1 ZINC000594059273 521379354 /nfs/dbraw/zinc/37/93/54/521379354.db2.gz VRDPQWTZKYMPAZ-HNNXBMFYSA-N 1 2 361.442 2.981 20 5 FFBDLO C[C@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC2(CCCCC2)O1 ZINC000594059273 521379359 /nfs/dbraw/zinc/37/93/59/521379359.db2.gz VRDPQWTZKYMPAZ-HNNXBMFYSA-N 1 2 361.442 2.981 20 5 FFBDLO O=C(N[C@H](C1CC1)[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000594071107 521388573 /nfs/dbraw/zinc/38/85/73/521388573.db2.gz XIRAKVNLMJUZMV-ZWKOTPCHSA-N 1 2 370.409 2.858 20 5 FFBDLO CSc1cccc(C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000594099528 521403129 /nfs/dbraw/zinc/40/31/29/521403129.db2.gz RMWBFXSSPOQPRF-RWMBFGLXSA-N 1 2 367.471 2.544 20 5 FFBDLO CSc1cccc(C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000594099528 521403137 /nfs/dbraw/zinc/40/31/37/521403137.db2.gz RMWBFXSSPOQPRF-RWMBFGLXSA-N 1 2 367.471 2.544 20 5 FFBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000594108411 521408829 /nfs/dbraw/zinc/40/88/29/521408829.db2.gz UPKUTUSZLDMSMG-UPJWGTAASA-N 1 2 367.471 2.544 20 5 FFBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000594108411 521408834 /nfs/dbraw/zinc/40/88/34/521408834.db2.gz UPKUTUSZLDMSMG-UPJWGTAASA-N 1 2 367.471 2.544 20 5 FFBDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)CC2 ZINC000599724665 521431033 /nfs/dbraw/zinc/43/10/33/521431033.db2.gz MVSKAYUHTDKMNB-OAHLLOKOSA-N 1 2 354.410 2.853 20 5 FFBDLO Cn1cc(C[N@H+](C)Cc2ccc(Br)c(F)c2)c([N+](=O)[O-])n1 ZINC000602632016 521445798 /nfs/dbraw/zinc/44/57/98/521445798.db2.gz BLXWGUBUGUUPOB-UHFFFAOYSA-N 1 2 357.183 2.862 20 5 FFBDLO Cn1cc(C[N@@H+](C)Cc2ccc(Br)c(F)c2)c([N+](=O)[O-])n1 ZINC000602632016 521445805 /nfs/dbraw/zinc/44/58/05/521445805.db2.gz BLXWGUBUGUUPOB-UHFFFAOYSA-N 1 2 357.183 2.862 20 5 FFBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000619295343 521504687 /nfs/dbraw/zinc/50/46/87/521504687.db2.gz XMXQODADZWPPRB-UHFFFAOYSA-N 1 2 368.393 2.922 20 5 FFBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ncccc1F ZINC000619574243 521776187 /nfs/dbraw/zinc/77/61/87/521776187.db2.gz KAYOVWBUTMNROP-LLVKDONJSA-N 1 2 355.329 2.806 20 5 FFBDLO COC(=O)COc1ccc(CNc2ccc(SC)c[nH+]2)cc1[N+](=O)[O-] ZINC000473486709 561050983 /nfs/dbraw/zinc/05/09/83/561050983.db2.gz DYLAFHWWZPZPDC-UHFFFAOYSA-N 1 2 363.395 2.876 20 5 FFBDLO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000738361700 598886970 /nfs/dbraw/zinc/88/69/70/598886970.db2.gz YWPHRSMKHUTXHM-UHFFFAOYSA-N 1 2 362.752 2.857 20 5 FFBDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC001164916389 721816611 /nfs/dbraw/zinc/81/66/11/721816611.db2.gz DDLVIOAWJFUWPG-UHFFFAOYSA-N 1 2 370.457 2.553 20 5 FFBDLO C[C@@H]1SCC[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)[C@H]1C ZINC000154754418 728811018 /nfs/dbraw/zinc/81/10/18/728811018.db2.gz QOXIFKSGUAYVEA-STQMWFEESA-N 1 2 350.444 2.620 20 5 FFBDLO C[C@@H]1SCC[N@@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)[C@H]1C ZINC000154754418 728811023 /nfs/dbraw/zinc/81/10/23/728811023.db2.gz QOXIFKSGUAYVEA-STQMWFEESA-N 1 2 350.444 2.620 20 5 FFBDLO Cc1ccc(S(=O)(=O)Oc2cccc(-n3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000159007819 728898782 /nfs/dbraw/zinc/89/87/82/728898782.db2.gz ULHSBYDEAJVPAJ-UHFFFAOYSA-N 1 2 359.363 2.857 20 5 FFBDLO CC(C)(CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)n1cc[nH+]c1 ZINC000898904231 735421100 /nfs/dbraw/zinc/42/11/00/735421100.db2.gz FADJCAURHJAZAR-UHFFFAOYSA-N 1 2 356.304 2.975 20 5 FFBDLO CC(C)(CNC(=O)c1cccc([N+](=O)[O-])c1Br)n1cc[nH+]c1 ZINC000898907143 735422043 /nfs/dbraw/zinc/42/20/43/735422043.db2.gz TWHKERPRIHQNPV-UHFFFAOYSA-N 1 2 367.203 2.719 20 5 FFBDLO Cc1cc(F)cc(C(=O)NCC[N@@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000176784895 729120512 /nfs/dbraw/zinc/12/05/12/729120512.db2.gz GKLVONVXCVHPGS-UHFFFAOYSA-N 1 2 363.414 2.892 20 5 FFBDLO Cc1cc(F)cc(C(=O)NCC[N@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000176784895 729120515 /nfs/dbraw/zinc/12/05/15/729120515.db2.gz GKLVONVXCVHPGS-UHFFFAOYSA-N 1 2 363.414 2.892 20 5 FFBDLO C[C@@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872051055 731723808 /nfs/dbraw/zinc/72/38/08/731723808.db2.gz FGUKZXONAWTTEF-MWLCHTKSSA-N 1 2 363.311 2.938 20 5 FFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000874708177 732094472 /nfs/dbraw/zinc/09/44/72/732094472.db2.gz SQHWSIPRZMCKGJ-CYBMUJFWSA-N 1 2 367.471 2.547 20 5 FFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000874708177 732094475 /nfs/dbraw/zinc/09/44/75/732094475.db2.gz SQHWSIPRZMCKGJ-CYBMUJFWSA-N 1 2 367.471 2.547 20 5 FFBDLO CO[C@]1(C[N@@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCOC1 ZINC000877508313 732376066 /nfs/dbraw/zinc/37/60/66/732376066.db2.gz WOZFMJVHDRPIAC-HNNXBMFYSA-N 1 2 371.231 2.521 20 5 FFBDLO CO[C@]1(C[N@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCOC1 ZINC000877508313 732376069 /nfs/dbraw/zinc/37/60/69/732376069.db2.gz WOZFMJVHDRPIAC-HNNXBMFYSA-N 1 2 371.231 2.521 20 5 FFBDLO O=[N+]([O-])c1ncccc1C[NH2+][C@H](CO)c1ccccc1OC(F)(F)F ZINC000886184279 733757920 /nfs/dbraw/zinc/75/79/20/733757920.db2.gz YJMXQDQLTLSZLY-GFCCVEGCSA-N 1 2 357.288 2.712 20 5 FFBDLO C[N@@H+]1CCc2nc(NC(=O)[C@@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)sc2C1 ZINC000891637897 734455114 /nfs/dbraw/zinc/45/51/14/734455114.db2.gz DCOUVHVEXXSEJE-QWHCGFSZSA-N 1 2 358.423 2.781 20 5 FFBDLO C[N@H+]1CCc2nc(NC(=O)[C@@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)sc2C1 ZINC000891637897 734455117 /nfs/dbraw/zinc/45/51/17/734455117.db2.gz DCOUVHVEXXSEJE-QWHCGFSZSA-N 1 2 358.423 2.781 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@@H](CCO)C1 ZINC000735870811 734964321 /nfs/dbraw/zinc/96/43/21/734964321.db2.gz FKPWJVJCVTUFDJ-NEPJUHHUSA-N 1 2 355.822 2.670 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@@H](CCO)C1 ZINC000735870811 734964328 /nfs/dbraw/zinc/96/43/28/734964328.db2.gz FKPWJVJCVTUFDJ-NEPJUHHUSA-N 1 2 355.822 2.670 20 5 FFBDLO C[C@@H](c1nnc(SCC[N+](=O)[O-])n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000899861798 735562356 /nfs/dbraw/zinc/56/23/56/735562356.db2.gz YXWQLITVTUHMEU-JTQLQIEISA-N 1 2 355.851 2.912 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000756074787 736304502 /nfs/dbraw/zinc/30/45/02/736304502.db2.gz AQDMEIADGIHLRA-NSHDSACASA-N 1 2 363.805 2.681 20 5 FFBDLO Cc1cn(C(C)(C)C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)c[nH+]1 ZINC000913386639 737397189 /nfs/dbraw/zinc/39/71/89/737397189.db2.gz XUEMMEGIZUSZGW-UHFFFAOYSA-N 1 2 354.769 2.944 20 5 FFBDLO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000778202374 738363310 /nfs/dbraw/zinc/36/33/10/738363310.db2.gz SHMAJSASPQURFH-GFCCVEGCSA-N 1 2 351.403 2.647 20 5 FFBDLO O=C(N1CCC[C@@H](n2cc[nH+]c2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778258301 738367191 /nfs/dbraw/zinc/36/71/91/738367191.db2.gz PLPLUUSJPJDQMM-CQSZACIVSA-N 1 2 350.325 2.747 20 5 FFBDLO Cc1nc(CCOC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cs1 ZINC000785675629 738987690 /nfs/dbraw/zinc/98/76/90/738987690.db2.gz JNTZRPXTMVFHLN-UHFFFAOYSA-N 1 2 358.379 2.945 20 5 FFBDLO COc1ccc(C[N@@H+]2CCOC[C@H]2CC2CCOCC2)cc1[N+](=O)[O-] ZINC000934641753 739817778 /nfs/dbraw/zinc/81/77/78/739817778.db2.gz KPYCZZFSAAKHEC-MRXNPFEDSA-N 1 2 350.415 2.621 20 5 FFBDLO COc1ccc(C[N@H+]2CCOC[C@H]2CC2CCOCC2)cc1[N+](=O)[O-] ZINC000934641753 739817785 /nfs/dbraw/zinc/81/77/85/739817785.db2.gz KPYCZZFSAAKHEC-MRXNPFEDSA-N 1 2 350.415 2.621 20 5 FFBDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]21 ZINC000814173883 741800811 /nfs/dbraw/zinc/80/08/11/741800811.db2.gz RLFRRPYDHOSHMW-FICVDOATSA-N 1 2 359.407 2.569 20 5 FFBDLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]21 ZINC000814173883 741800817 /nfs/dbraw/zinc/80/08/17/741800817.db2.gz RLFRRPYDHOSHMW-FICVDOATSA-N 1 2 359.407 2.569 20 5 FFBDLO CC[NH+](CC)Cc1csc(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000825390083 743261814 /nfs/dbraw/zinc/26/18/14/743261814.db2.gz YXIISNRGPXUJOV-CQSZACIVSA-N 1 2 364.427 2.565 20 5 FFBDLO C[NH+](C)Cc1csc(CNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)n1 ZINC000829976086 745287642 /nfs/dbraw/zinc/28/76/42/745287642.db2.gz KFPOZUXTYFQMFQ-LSDHHAIUSA-N 1 2 360.439 2.533 20 5 FFBDLO Cc1noc(C[N@@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000851797259 749678822 /nfs/dbraw/zinc/67/88/22/749678822.db2.gz JHNUQVWVOWJZAL-UHFFFAOYSA-N 1 2 356.423 2.874 20 5 FFBDLO Cc1noc(C[N@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000851797259 749678824 /nfs/dbraw/zinc/67/88/24/749678824.db2.gz JHNUQVWVOWJZAL-UHFFFAOYSA-N 1 2 356.423 2.874 20 5 FFBDLO O=C1OCCN1[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000852444269 749860369 /nfs/dbraw/zinc/86/03/69/749860369.db2.gz UFBZOMXLMGWFML-GFCCVEGCSA-N 1 2 359.304 2.640 20 5 FFBDLO O=C1OCCN1[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000852444269 749860380 /nfs/dbraw/zinc/86/03/80/749860380.db2.gz UFBZOMXLMGWFML-GFCCVEGCSA-N 1 2 359.304 2.640 20 5 FFBDLO Cc1c(C[NH2+][C@@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000121005652 961240642 /nfs/dbraw/zinc/24/06/42/961240642.db2.gz WYODRAZUBBSGKR-ZDUSSCGKSA-N 1 2 371.401 2.948 20 5 FFBDLO CCOc1cc(C[NH+]2CCN(c3cncc(OC)c3)CC2)ccc1[N+](=O)[O-] ZINC001175382425 1013464496 /nfs/dbraw/zinc/46/44/96/1013464496.db2.gz PLNFBPILZMBFGP-UHFFFAOYSA-N 1 2 372.425 2.719 20 5 FFBDLO CSc1cccc(C(=O)NCCCN(C)c2cccc[nH+]2)c1[N+](=O)[O-] ZINC001175707072 1013551428 /nfs/dbraw/zinc/55/14/28/1013551428.db2.gz IEHVUEMAIBXOGH-UHFFFAOYSA-N 1 2 360.439 2.968 20 5 FFBDLO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@@H](O)c3cc(F)ccc3F)CC2)c1 ZINC000051377569 966089827 /nfs/dbraw/zinc/08/98/27/966089827.db2.gz FLFIJLKHEANGDG-GOSISDBHSA-N 1 2 363.364 2.729 20 5 FFBDLO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@H](O)c3ccc(F)cc3F)CC2)c1 ZINC000051377546 966090331 /nfs/dbraw/zinc/09/03/31/966090331.db2.gz ORNPXQLPWHIUPF-SFHVURJKSA-N 1 2 363.364 2.729 20 5 FFBDLO CC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)nc1 ZINC001267150824 966672536 /nfs/dbraw/zinc/67/25/36/966672536.db2.gz UNVWLQZMCJQVPG-UHFFFAOYSA-N 1 2 351.322 2.630 20 5 FFBDLO O=[N+]([O-])c1ccccc1C=CC[N@@H+]1CCc2nc[nH]c2C12CCOCC2 ZINC000895071492 967385771 /nfs/dbraw/zinc/38/57/71/967385771.db2.gz PHDSDWDLWWHRTG-HYXAFXHYSA-N 1 2 354.410 2.895 20 5 FFBDLO O=[N+]([O-])c1ccccc1C=CC[N@H+]1CCc2nc[nH]c2C12CCOCC2 ZINC000895071492 967385780 /nfs/dbraw/zinc/38/57/80/967385780.db2.gz PHDSDWDLWWHRTG-HYXAFXHYSA-N 1 2 354.410 2.895 20 5 FFBDLO C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@@H](O)c1ccccc1 ZINC001141761138 969108737 /nfs/dbraw/zinc/10/87/37/969108737.db2.gz BDPDJMWPGCULAZ-SCLBCKFNSA-N 1 2 366.377 2.632 20 5 FFBDLO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cc(Cl)ccc1Cl ZINC001480973937 969470660 /nfs/dbraw/zinc/47/06/60/969470660.db2.gz BSYWHVYZMLFZHD-TZMCWYRMSA-N 1 2 360.241 2.597 20 5 FFBDLO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cc(Cl)ccc1Cl ZINC001480973937 969470668 /nfs/dbraw/zinc/47/06/68/969470668.db2.gz BSYWHVYZMLFZHD-TZMCWYRMSA-N 1 2 360.241 2.597 20 5 FFBDLO O=C(OCc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000125877781 1014223491 /nfs/dbraw/zinc/22/34/91/1014223491.db2.gz WEJSCBSWYZACJK-SFHVURJKSA-N 1 2 356.378 2.539 20 5 FFBDLO O=C(OCc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000125877781 1014223499 /nfs/dbraw/zinc/22/34/99/1014223499.db2.gz WEJSCBSWYZACJK-SFHVURJKSA-N 1 2 356.378 2.539 20 5 FFBDLO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000030544462 975895320 /nfs/dbraw/zinc/89/53/20/975895320.db2.gz SOOOLKVINDDVTH-IAGOWNOFSA-N 1 2 374.485 2.896 20 5 FFBDLO CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000030544465 975895761 /nfs/dbraw/zinc/89/57/61/975895761.db2.gz SOOOLKVINDDVTH-SJORKVTESA-N 1 2 374.485 2.896 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000192837540 977152356 /nfs/dbraw/zinc/15/23/56/977152356.db2.gz TXXXIWDFNNSUAM-HNNXBMFYSA-N 1 2 371.393 2.614 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000192837540 977152361 /nfs/dbraw/zinc/15/23/61/977152361.db2.gz TXXXIWDFNNSUAM-HNNXBMFYSA-N 1 2 371.393 2.614 20 5 FFBDLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178856488 978133719 /nfs/dbraw/zinc/13/37/19/978133719.db2.gz RDPYZHSMWAYYNJ-GOSISDBHSA-N 1 2 373.409 2.597 20 5 FFBDLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178856488 978133724 /nfs/dbraw/zinc/13/37/24/978133724.db2.gz RDPYZHSMWAYYNJ-GOSISDBHSA-N 1 2 373.409 2.597 20 5 FFBDLO Cn1nccc1[C@@H]1CCC[N@@H+]1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000905734378 980502084 /nfs/dbraw/zinc/50/20/84/980502084.db2.gz CPWVBYMIHVMUCR-SFHVURJKSA-N 1 2 352.398 2.986 20 5 FFBDLO Cn1nccc1[C@@H]1CCC[N@H+]1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000905734378 980502087 /nfs/dbraw/zinc/50/20/87/980502087.db2.gz CPWVBYMIHVMUCR-SFHVURJKSA-N 1 2 352.398 2.986 20 5 FFBDLO CO[C@@H]1C[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3F)Cc3cccnc3N2C1 ZINC000877687742 1014679774 /nfs/dbraw/zinc/67/97/74/1014679774.db2.gz LMILPRCOGWFIHJ-IAGOWNOFSA-N 1 2 372.400 2.738 20 5 FFBDLO CO[C@@H]1C[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)Cc3cccnc3N2C1 ZINC000877687742 1014679779 /nfs/dbraw/zinc/67/97/79/1014679779.db2.gz LMILPRCOGWFIHJ-IAGOWNOFSA-N 1 2 372.400 2.738 20 5 FFBDLO C[C@H](C(=O)NC1CCCCC1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000057024529 984473542 /nfs/dbraw/zinc/47/35/42/984473542.db2.gz CCYPTTDFGXMOBK-OAHLLOKOSA-N 1 2 360.458 2.554 20 5 FFBDLO Cc1nn(C)c(C)c1NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130016554 985655142 /nfs/dbraw/zinc/65/51/42/985655142.db2.gz PSQVLHLHTZIUFB-UHFFFAOYSA-N 1 2 357.414 2.548 20 5 FFBDLO Cc1nn(C)c(C)c1NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130016554 985655150 /nfs/dbraw/zinc/65/51/50/985655150.db2.gz PSQVLHLHTZIUFB-UHFFFAOYSA-N 1 2 357.414 2.548 20 5 FFBDLO Cc1[nH]c2ccc(NC(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)cc2[nH+]1 ZINC000915289522 988380177 /nfs/dbraw/zinc/38/01/77/988380177.db2.gz GNWRFTPNVWCZRU-UHFFFAOYSA-N 1 2 350.338 2.768 20 5 FFBDLO C[C@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1C(=O)OC(C)(C)C ZINC000154583152 990308104 /nfs/dbraw/zinc/30/81/04/990308104.db2.gz ITJMZRVHNQUKGK-BBRMVZONSA-N 1 2 365.430 2.569 20 5 FFBDLO C[C@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1C(=O)OC(C)(C)C ZINC000154583152 990308110 /nfs/dbraw/zinc/30/81/10/990308110.db2.gz ITJMZRVHNQUKGK-BBRMVZONSA-N 1 2 365.430 2.569 20 5 FFBDLO COc1ccccc1[C@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000879631252 1015618486 /nfs/dbraw/zinc/61/84/86/1015618486.db2.gz RBGQJXYRWRXYMB-IEBWSBKVSA-N 1 2 358.394 2.710 20 5 FFBDLO COc1ccccc1[C@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000879631252 1015618491 /nfs/dbraw/zinc/61/84/91/1015618491.db2.gz RBGQJXYRWRXYMB-IEBWSBKVSA-N 1 2 358.394 2.710 20 5 FFBDLO CN(C)[C@H](C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1c[nH+]cn1C ZINC000803614950 1015990653 /nfs/dbraw/zinc/99/06/53/1015990653.db2.gz CEILGDGSDWXIFW-INIZCTEOSA-N 1 2 359.430 2.867 20 5 FFBDLO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[NH+](CCc2ccncc2)CC1 ZINC000825105046 997199037 /nfs/dbraw/zinc/19/90/37/997199037.db2.gz HAUZXSVYBYBOAI-UHFFFAOYSA-N 1 2 374.828 2.644 20 5 FFBDLO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC(n3cc[nH+]c3)C2)CC1 ZINC000733884122 999096112 /nfs/dbraw/zinc/09/61/12/999096112.db2.gz BBEYHSZLOCKPCI-UHFFFAOYSA-N 1 2 369.425 2.725 20 5 FFBDLO CC[N@@H+]1CCCC[C@H]1C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000745089816 999891908 /nfs/dbraw/zinc/89/19/08/999891908.db2.gz RMTNBLLGGRNKEI-AWEZNQCLSA-N 1 2 360.370 2.562 20 5 FFBDLO CC[N@H+]1CCCC[C@H]1C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000745089816 999891910 /nfs/dbraw/zinc/89/19/10/999891910.db2.gz RMTNBLLGGRNKEI-AWEZNQCLSA-N 1 2 360.370 2.562 20 5 FFBDLO CCOC(=O)[C@H](CSCc1ccccc1)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168997961 1000014285 /nfs/dbraw/zinc/01/42/85/1000014285.db2.gz GVTDLNVAFHKBIE-ULQDDVLXSA-N 1 2 366.483 2.887 20 5 FFBDLO CCOC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168987052 1000015802 /nfs/dbraw/zinc/01/58/02/1000015802.db2.gz HGJYDQBMMHSZQF-BPUTZDHNSA-N 1 2 354.834 2.849 20 5 FFBDLO CCOC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168987051 1000015881 /nfs/dbraw/zinc/01/58/81/1000015881.db2.gz HGJYDQBMMHSZQF-BMFZPTHFSA-N 1 2 354.834 2.849 20 5 FFBDLO O=C(Nc1ccn2cc[nH+]c2c1)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001129481085 1003664533 /nfs/dbraw/zinc/66/45/33/1003664533.db2.gz LZFYZPVJPKBBBE-UHFFFAOYSA-N 1 2 354.322 2.656 20 5 FFBDLO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOc1cccc([N+](=O)[O-])c1 ZINC001196727405 1003932427 /nfs/dbraw/zinc/93/24/27/1003932427.db2.gz DBCXUDLVUIBTEM-GJZGRUSLSA-N 1 2 363.414 2.667 20 5 FFBDLO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOc1cccc([N+](=O)[O-])c1 ZINC001196727405 1003932435 /nfs/dbraw/zinc/93/24/35/1003932435.db2.gz DBCXUDLVUIBTEM-GJZGRUSLSA-N 1 2 363.414 2.667 20 5 FFBDLO CCC(O)(CC)C(C)(C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001152437124 1004567370 /nfs/dbraw/zinc/56/73/70/1004567370.db2.gz NVQTUOGEQVZWHE-UHFFFAOYSA-N 1 2 360.414 2.840 20 5 FFBDLO Cc1nn(C[N@@H+]2CCCC[C@H]2CCNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000808188633 1004770419 /nfs/dbraw/zinc/77/04/19/1004770419.db2.gz BDWDQFHKRIVJRX-AWEZNQCLSA-N 1 2 367.450 2.827 20 5 FFBDLO Cc1nn(C[N@H+]2CCCC[C@H]2CCNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000808188633 1004770424 /nfs/dbraw/zinc/77/04/24/1004770424.db2.gz BDWDQFHKRIVJRX-AWEZNQCLSA-N 1 2 367.450 2.827 20 5 FFBDLO Cc1cccc(C[NH+]2CCN(C(=O)c3cc(C)cc([N+](=O)[O-])c3N)CC2)c1 ZINC000104824218 1004816745 /nfs/dbraw/zinc/81/67/45/1004816745.db2.gz LDEFOQALIYVSBW-UHFFFAOYSA-N 1 2 368.437 2.752 20 5 FFBDLO Cc1[nH]c([C@H]2CCCN2S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[nH+]c1C ZINC001194802883 1004818638 /nfs/dbraw/zinc/81/86/38/1004818638.db2.gz RXXCWWZFLQUPOT-OAHLLOKOSA-N 1 2 364.427 2.602 20 5 FFBDLO CC(C)(C)C(=O)N1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000776036216 1005056438 /nfs/dbraw/zinc/05/64/38/1005056438.db2.gz DEDXBNIDCQCURP-INIZCTEOSA-N 1 2 363.458 2.597 20 5 FFBDLO CC(C)(C)C(=O)N1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000776036216 1005056445 /nfs/dbraw/zinc/05/64/45/1005056445.db2.gz DEDXBNIDCQCURP-INIZCTEOSA-N 1 2 363.458 2.597 20 5 FFBDLO O=C(COc1cccc([N+](=O)[O-])c1)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851397741 1005879970 /nfs/dbraw/zinc/87/99/70/1005879970.db2.gz MDBVKBQPCIJXMB-UHFFFAOYSA-N 1 2 371.393 2.828 20 5 FFBDLO CCc1ccccc1NC(=O)C[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579976 1005960267 /nfs/dbraw/zinc/96/02/67/1005960267.db2.gz TXWQDNFZKUVMMD-GOSISDBHSA-N 1 2 357.410 2.761 20 5 FFBDLO CCc1ccccc1NC(=O)C[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579976 1005960272 /nfs/dbraw/zinc/96/02/72/1005960272.db2.gz TXWQDNFZKUVMMD-GOSISDBHSA-N 1 2 357.410 2.761 20 5 FFBDLO C[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C(=O)OC(C)(C)C ZINC000776591381 1005985446 /nfs/dbraw/zinc/98/54/46/1005985446.db2.gz LTYLUEWPJKEXFO-CJNGLKHVSA-N 1 2 365.430 2.569 20 5 FFBDLO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C(=O)OC(C)(C)C ZINC000776591381 1005985454 /nfs/dbraw/zinc/98/54/54/1005985454.db2.gz LTYLUEWPJKEXFO-CJNGLKHVSA-N 1 2 365.430 2.569 20 5 FFBDLO O=[N+]([O-])c1ccc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)cc1F ZINC000852339513 1005985906 /nfs/dbraw/zinc/98/59/06/1005985906.db2.gz REFQKTIVIGADIU-UXHICEINSA-N 1 2 371.412 2.819 20 5 FFBDLO O=[N+]([O-])c1ccc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)cc1F ZINC000852339513 1005985908 /nfs/dbraw/zinc/98/59/08/1005985908.db2.gz REFQKTIVIGADIU-UXHICEINSA-N 1 2 371.412 2.819 20 5 FFBDLO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)cc1F ZINC000852339513 1005985910 /nfs/dbraw/zinc/98/59/10/1005985910.db2.gz REFQKTIVIGADIU-UXHICEINSA-N 1 2 371.412 2.819 20 5 FFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)cc1F ZINC000852339513 1005985913 /nfs/dbraw/zinc/98/59/13/1005985913.db2.gz REFQKTIVIGADIU-UXHICEINSA-N 1 2 371.412 2.819 20 5 FFBDLO CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@H]1CCCOC1 ZINC000882463854 1006407049 /nfs/dbraw/zinc/40/70/49/1006407049.db2.gz MEEMULGWXVGBMF-GJZGRUSLSA-N 1 2 358.398 2.716 20 5 FFBDLO C[N@H+](C[C@H]1CCc2ccccc21)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000853611362 1006475452 /nfs/dbraw/zinc/47/54/52/1006475452.db2.gz ZZHAHEKVSYLXMN-CQSZACIVSA-N 1 2 365.389 2.810 20 5 FFBDLO C[N@@H+](C[C@H]1CCc2ccccc21)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000853611362 1006475455 /nfs/dbraw/zinc/47/54/55/1006475455.db2.gz ZZHAHEKVSYLXMN-CQSZACIVSA-N 1 2 365.389 2.810 20 5 FFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2nnc(-c3cnn(C)c3)cc2C1 ZINC000854129614 1006696956 /nfs/dbraw/zinc/69/69/56/1006696956.db2.gz KQXGGVLRDVZQQQ-ZDUSSCGKSA-N 1 2 364.409 2.905 20 5 FFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2nnc(-c3cnn(C)c3)cc2C1 ZINC000854129614 1006696966 /nfs/dbraw/zinc/69/69/66/1006696966.db2.gz KQXGGVLRDVZQQQ-ZDUSSCGKSA-N 1 2 364.409 2.905 20 5 FFBDLO Cc1cc(NC(=O)c2cccc3[nH+]ccn32)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000776767319 1007039186 /nfs/dbraw/zinc/03/91/86/1007039186.db2.gz QBYWXWDABIYGNX-UHFFFAOYSA-N 1 2 362.349 2.989 20 5 FFBDLO O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000859662344 1008610551 /nfs/dbraw/zinc/61/05/51/1008610551.db2.gz WNVKOCAPKFIYQF-MRXNPFEDSA-N 1 2 369.421 2.685 20 5 FFBDLO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2Cc1cccnc1[N+](=O)[O-] ZINC000886310380 1008632294 /nfs/dbraw/zinc/63/22/94/1008632294.db2.gz KRCAAMJRISGSEJ-GJZGRUSLSA-N 1 2 362.430 2.964 20 5 FFBDLO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2Cc1cccnc1[N+](=O)[O-] ZINC000886310380 1008632298 /nfs/dbraw/zinc/63/22/98/1008632298.db2.gz KRCAAMJRISGSEJ-GJZGRUSLSA-N 1 2 362.430 2.964 20 5 FFBDLO C[C@H](C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)NC(=O)OC(C)(C)C ZINC000860095628 1008829637 /nfs/dbraw/zinc/82/96/37/1008829637.db2.gz HKHQJEQQXFVBDH-LLVKDONJSA-N 1 2 363.418 2.816 20 5 FFBDLO C[C@H](C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)NC(=O)OC(C)(C)C ZINC000860095628 1008829658 /nfs/dbraw/zinc/82/96/58/1008829658.db2.gz HKHQJEQQXFVBDH-LLVKDONJSA-N 1 2 363.418 2.816 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCc2cc(O)ccc2C1 ZINC001181524655 1010132453 /nfs/dbraw/zinc/13/24/53/1010132453.db2.gz YULWYUKZFFUBBG-UHFFFAOYSA-N 1 2 364.361 2.685 20 5 FFBDLO CN(C)c1cc(F)c(C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)cc1[N+](=O)[O-] ZINC000826697270 1010426710 /nfs/dbraw/zinc/42/67/10/1010426710.db2.gz ZFRXPWWHKVPQSU-SFHVURJKSA-N 1 2 372.400 2.716 20 5 FFBDLO CN(C)c1cc(F)c(C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)cc1[N+](=O)[O-] ZINC000826697270 1010426713 /nfs/dbraw/zinc/42/67/13/1010426713.db2.gz ZFRXPWWHKVPQSU-SFHVURJKSA-N 1 2 372.400 2.716 20 5 FFBDLO Cc1cc2nc3nc(=O)[nH]c(O[C@H]4CCC[NH2+]C[C@H]4C)c3nc2cc1C ZINC001217990920 1032937198 /nfs/dbraw/zinc/93/71/98/1032937198.db2.gz QBZDPBZTWPSRCO-DOMZBBRYSA-N 1 2 353.426 2.662 20 5 FFBDLO COC(=O)/C=C\c1ccc(N[C@H]2CCN(c3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000753819657 1023385583 /nfs/dbraw/zinc/38/55/83/1023385583.db2.gz GBMGOHUQCHRFPZ-LYASGUKUSA-N 1 2 368.393 2.867 20 5 FFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[NH+]1CCC(c2ccccn2)CC1 ZINC000753973535 1023408473 /nfs/dbraw/zinc/40/84/73/1023408473.db2.gz YGDQBCFFPLWRNY-UHFFFAOYSA-N 1 2 354.366 2.735 20 5 FFBDLO CN(C)c1cc(F)c(C(=O)N2CC[N@H+](C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000839272732 1026637838 /nfs/dbraw/zinc/63/78/38/1026637838.db2.gz JRQHINHYDPPSDK-UHFFFAOYSA-N 1 2 372.400 2.892 20 5 FFBDLO CN(C)c1cc(F)c(C(=O)N2CC[N@@H+](C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000839272732 1026637840 /nfs/dbraw/zinc/63/78/40/1026637840.db2.gz JRQHINHYDPPSDK-UHFFFAOYSA-N 1 2 372.400 2.892 20 5 FFBDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc2ccccc2c2cccnc12 ZINC001153485951 1027906251 /nfs/dbraw/zinc/90/62/51/1027906251.db2.gz QVPGGYFKEJRBNK-SFHVURJKSA-N 1 2 374.400 2.625 20 5 FFBDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc2ccccc2c2cccnc12 ZINC001153485951 1027906260 /nfs/dbraw/zinc/90/62/60/1027906260.db2.gz QVPGGYFKEJRBNK-SFHVURJKSA-N 1 2 374.400 2.625 20 5 FFBDLO CCc1cc(NCc2ccc[nH+]c2N)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001163326187 1028895740 /nfs/dbraw/zinc/89/57/40/1028895740.db2.gz DFHAZCROLFYFFX-UHFFFAOYSA-N 1 2 350.382 2.625 20 5 FFBDLO COc1ccc(C(N)=[NH+]OCCOc2cccc([N+](=O)[O-])c2)cc1OC ZINC000782317604 1029655210 /nfs/dbraw/zinc/65/52/10/1029655210.db2.gz MDUMBZBWIMYFHQ-UHFFFAOYSA-N 1 2 361.354 2.538 20 5 FFBDLO Cc1cc(OCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)ccc1[N+](=O)[O-] ZINC000797439406 1031112764 /nfs/dbraw/zinc/11/27/64/1031112764.db2.gz JUEQWDIXWGSTAG-UHFFFAOYSA-N 1 2 366.377 2.784 20 5 FFBDLO Cc1nn(C[N@@H+]2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000799581547 1031823575 /nfs/dbraw/zinc/82/35/75/1031823575.db2.gz BUQSLANRNFEVSC-AWEZNQCLSA-N 1 2 367.450 2.684 20 5 FFBDLO Cc1nn(C[N@H+]2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000799581547 1031823578 /nfs/dbraw/zinc/82/35/78/1031823578.db2.gz BUQSLANRNFEVSC-AWEZNQCLSA-N 1 2 367.450 2.684 20 5 FFBDLO O=c1nc2ccc([N+](=O)[O-])cc2c(O[C@H]2CC[N@H+](Cc3ccccc3)C2)[nH]1 ZINC001227093982 1034934196 /nfs/dbraw/zinc/93/41/96/1034934196.db2.gz WZJOMTMVYKCPGY-HNNXBMFYSA-N 1 2 366.377 2.897 20 5 FFBDLO O=c1nc2ccc([N+](=O)[O-])cc2c(O[C@H]2CC[N@@H+](Cc3ccccc3)C2)[nH]1 ZINC001227093982 1034934202 /nfs/dbraw/zinc/93/42/02/1034934202.db2.gz WZJOMTMVYKCPGY-HNNXBMFYSA-N 1 2 366.377 2.897 20 5 FFBDLO O=[N+]([O-])c1ccc(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC001227464004 1035566421 /nfs/dbraw/zinc/56/64/21/1035566421.db2.gz VCDYUGCAGOGQGF-MRXNPFEDSA-N 1 2 373.365 2.783 20 5 FFBDLO O=[N+]([O-])c1ccc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC001227464004 1035566434 /nfs/dbraw/zinc/56/64/34/1035566434.db2.gz VCDYUGCAGOGQGF-MRXNPFEDSA-N 1 2 373.365 2.783 20 5 FFBDLO C[N@@H+]1CCC[C@@H](Oc2c(O)ccc3c(=O)c4c(O)cc(O)cc4oc32)CC1 ZINC001234751652 1037169444 /nfs/dbraw/zinc/16/94/44/1037169444.db2.gz BVAWYWWRQNHWQG-GFCCVEGCSA-N 1 2 371.389 2.926 20 5 FFBDLO C[N@H+]1CCC[C@@H](Oc2c(O)ccc3c(=O)c4c(O)cc(O)cc4oc32)CC1 ZINC001234751652 1037169455 /nfs/dbraw/zinc/16/94/55/1037169455.db2.gz BVAWYWWRQNHWQG-GFCCVEGCSA-N 1 2 371.389 2.926 20 5 FFBDLO C[C@@H](OCc1ccccc1)[C@H]([NH3+])c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247691573 1039898239 /nfs/dbraw/zinc/89/82/39/1039898239.db2.gz YSEJSHFERFPKDH-YGRLFVJLSA-N 1 2 373.344 2.784 20 5 FFBDLO CCOc1ccc2c(c1)C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC2 ZINC001253330142 1040117234 /nfs/dbraw/zinc/11/72/34/1040117234.db2.gz QKTJQYRJFYYFSS-UHFFFAOYSA-N 1 2 355.394 2.651 20 5 FFBDLO CCOc1ccc2c(c1)C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC2 ZINC001253330142 1040117242 /nfs/dbraw/zinc/11/72/42/1040117242.db2.gz QKTJQYRJFYYFSS-UHFFFAOYSA-N 1 2 355.394 2.651 20 5 FFBDLO COC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254604591 1040834524 /nfs/dbraw/zinc/83/45/24/1040834524.db2.gz WQBFSPBGUMAEHG-MOPGFXCFSA-N 1 2 352.390 2.662 20 5 FFBDLO COC(=O)[C@@H]1Cc2ccccc2C[N@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254604591 1040834531 /nfs/dbraw/zinc/83/45/31/1040834531.db2.gz WQBFSPBGUMAEHG-MOPGFXCFSA-N 1 2 352.390 2.662 20 5 FFBDLO O=C(C1CCCCC1)N1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254609399 1040836605 /nfs/dbraw/zinc/83/66/05/1040836605.db2.gz WEAMZAGOWXISIM-IBGZPJMESA-N 1 2 357.454 2.787 20 5 FFBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OCCc1cn2c([nH+]1)CCCC2 ZINC001263476657 1042333026 /nfs/dbraw/zinc/33/30/26/1042333026.db2.gz ZYMHTABOLXBQEV-UHFFFAOYSA-N 1 2 368.393 2.937 20 5 FFBDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001263653930 1042421281 /nfs/dbraw/zinc/42/12/81/1042421281.db2.gz MAXBBBAUXOQHRK-AWEZNQCLSA-N 1 2 371.441 2.505 20 5 FFBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001333746106 1049097274 /nfs/dbraw/zinc/09/72/74/1049097274.db2.gz BUEBZYQXZBOAAY-QGTPRVQTSA-N 1 2 368.437 2.913 20 5 FFBDLO O=C(NCC1(C2(O)CCC2)CCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001303559940 1051388691 /nfs/dbraw/zinc/38/86/91/1051388691.db2.gz OGMMDWRPMQGNDT-UHFFFAOYSA-N 1 2 370.409 2.596 20 5 FFBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001343039738 1051655454 /nfs/dbraw/zinc/65/54/54/1051655454.db2.gz PAHNMFUGLZZVND-GXTWGEPZSA-N 1 2 360.389 2.582 20 5 FFBDLO CC[C@@H]1COCC[N@@H+]1CCNc1ccc(Br)cc1[N+](=O)[O-] ZINC001307199997 1052267089 /nfs/dbraw/zinc/26/70/89/1052267089.db2.gz FCGLCFOPGXDZIJ-GFCCVEGCSA-N 1 2 358.236 2.880 20 5 FFBDLO CC[C@@H]1COCC[N@H+]1CCNc1ccc(Br)cc1[N+](=O)[O-] ZINC001307199997 1052267095 /nfs/dbraw/zinc/26/70/95/1052267095.db2.gz FCGLCFOPGXDZIJ-GFCCVEGCSA-N 1 2 358.236 2.880 20 5 FFBDLO COC(=O)[C@H](c1cccc(OC)c1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001307717015 1052340971 /nfs/dbraw/zinc/34/09/71/1052340971.db2.gz RBBMYCQFURBSJV-SFHVURJKSA-N 1 2 358.394 2.992 20 5 FFBDLO COC(=O)[C@H](c1cccc(OC)c1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001307717015 1052340976 /nfs/dbraw/zinc/34/09/76/1052340976.db2.gz RBBMYCQFURBSJV-SFHVURJKSA-N 1 2 358.394 2.992 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC001335100431 1053216192 /nfs/dbraw/zinc/21/61/92/1053216192.db2.gz KSPJIPUEAJPPSR-FQEVSTJZSA-N 1 2 369.421 2.825 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC001335100431 1053216199 /nfs/dbraw/zinc/21/61/99/1053216199.db2.gz KSPJIPUEAJPPSR-FQEVSTJZSA-N 1 2 369.421 2.825 20 5 FFBDLO C[NH+]1CCN(C2CCN(c3cc(C(F)(F)F)ccc3[N+](=O)[O-])CC2)CC1 ZINC001336690932 1054141755 /nfs/dbraw/zinc/14/17/55/1054141755.db2.gz BNQFNZXIHKIWFE-UHFFFAOYSA-N 1 2 372.391 2.830 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCC(Cc3c[nH]c[nH+]3)CC2)c1F ZINC001350825981 1055958494 /nfs/dbraw/zinc/95/84/94/1055958494.db2.gz AKIJMSCFXXMDSB-UHFFFAOYSA-N 1 2 364.352 2.999 20 5 FFBDLO CC(C)(C)n1ccc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000847714299 1056439818 /nfs/dbraw/zinc/43/98/18/1056439818.db2.gz PNRMYQWMUIYGKK-INIZCTEOSA-N 1 2 372.425 2.978 20 5 FFBDLO CC(C)(C)n1ccc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000847714299 1056439822 /nfs/dbraw/zinc/43/98/22/1056439822.db2.gz PNRMYQWMUIYGKK-INIZCTEOSA-N 1 2 372.425 2.978 20 5 FFBDLO CC(C)C[C@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)n1cc[nH+]c1 ZINC001448547135 1058788331 /nfs/dbraw/zinc/78/83/31/1058788331.db2.gz DBEFQQCGCPEDPC-OAHLLOKOSA-N 1 2 356.386 2.571 20 5 FFBDLO CCn1ccc(C[N@H+](C)CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000848485571 1060131485 /nfs/dbraw/zinc/13/14/85/1060131485.db2.gz QHTFXTUGXQAHSH-SFHVURJKSA-N 1 2 356.426 2.822 20 5 FFBDLO CCn1ccc(C[N@@H+](C)CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000848485571 1060131499 /nfs/dbraw/zinc/13/14/99/1060131499.db2.gz QHTFXTUGXQAHSH-SFHVURJKSA-N 1 2 356.426 2.822 20 5 FFBDLO C[C@H]1C[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC2(CCOCC2)O1 ZINC000848486866 1060133303 /nfs/dbraw/zinc/13/33/03/1060133303.db2.gz LAVLXICBDZXKPS-HNNXBMFYSA-N 1 2 372.425 2.686 20 5 FFBDLO C[C@H]1C[N@@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC2(CCOCC2)O1 ZINC000848486866 1060133312 /nfs/dbraw/zinc/13/33/12/1060133312.db2.gz LAVLXICBDZXKPS-HNNXBMFYSA-N 1 2 372.425 2.686 20 5 FFBDLO COc1cccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)c1 ZINC001458541212 1060618083 /nfs/dbraw/zinc/61/80/83/1060618083.db2.gz BEHWUTYAKZHJES-UHFFFAOYSA-N 1 2 372.381 2.834 20 5 FFBDLO CCC1(CC)CNC(=O)[C@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001460829539 1061119688 /nfs/dbraw/zinc/11/96/88/1061119688.db2.gz VUWZFYOOCXYDFU-OAHLLOKOSA-N 1 2 358.398 2.644 20 5 FFBDLO Cc1noc(C)c1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001530321143 1062544612 /nfs/dbraw/zinc/54/46/12/1062544612.db2.gz NUQHMLYHHVZCHX-JTQLQIEISA-N 1 2 355.354 2.876 20 5 FFBDLO COc1ncccc1COC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001436379505 1062709460 /nfs/dbraw/zinc/70/94/60/1062709460.db2.gz GPEJCCHIWJNZEE-UHFFFAOYSA-N 1 2 354.322 2.541 20 5 FFBDLO C[N@H+](CC(=O)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)Cc1ccccc1 ZINC001524727670 1062966605 /nfs/dbraw/zinc/96/66/05/1062966605.db2.gz NIGFBFNBOHAVOL-LJQANCHMSA-N 1 2 369.421 2.849 20 5 FFBDLO C[N@@H+](CC(=O)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)Cc1ccccc1 ZINC001524727670 1062966629 /nfs/dbraw/zinc/96/66/29/1062966629.db2.gz NIGFBFNBOHAVOL-LJQANCHMSA-N 1 2 369.421 2.849 20 5 FFBDLO CCc1[nH]c(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c[nH+]1 ZINC001472019287 1064893217 /nfs/dbraw/zinc/89/32/17/1064893217.db2.gz XPQRGMHDYVTVLL-UHFFFAOYSA-N 1 2 354.819 2.942 20 5 FFBDLO CCc1[nH]cc(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[nH+]1 ZINC001472019287 1064893226 /nfs/dbraw/zinc/89/32/26/1064893226.db2.gz XPQRGMHDYVTVLL-UHFFFAOYSA-N 1 2 354.819 2.942 20 5 FFBDLO COc1cc(CNCC[N@H+](C)Cc2ccc(F)cc2)c([N+](=O)[O-])cc1O ZINC001560367431 1076268394 /nfs/dbraw/zinc/26/83/94/1076268394.db2.gz KRDMRXXOTMQQHC-UHFFFAOYSA-N 1 2 363.389 2.670 20 5 FFBDLO COc1cc(CNCC[N@@H+](C)Cc2ccc(F)cc2)c([N+](=O)[O-])cc1O ZINC001560367431 1076268397 /nfs/dbraw/zinc/26/83/97/1076268397.db2.gz KRDMRXXOTMQQHC-UHFFFAOYSA-N 1 2 363.389 2.670 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000366634634 512117119 /nfs/dbraw/zinc/11/71/19/512117119.db2.gz PPMUOZDYTSKDFA-KRWDZBQOSA-N 1 2 355.394 2.667 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000366634634 512117123 /nfs/dbraw/zinc/11/71/23/512117123.db2.gz PPMUOZDYTSKDFA-KRWDZBQOSA-N 1 2 355.394 2.667 20 5 FFBDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000105285026 250207214 /nfs/dbraw/zinc/20/72/14/250207214.db2.gz QGZMOGGACPPIGJ-UHFFFAOYSA-N 1 2 368.393 2.838 20 5 FFBDLO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)Cn2cc[nH+]c2)cc1SC ZINC000153515371 251146048 /nfs/dbraw/zinc/14/60/48/251146048.db2.gz NHHYSHQODMRBGK-NSHDSACASA-N 1 2 364.427 2.588 20 5 FFBDLO C[C@H]1CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000272389807 252026732 /nfs/dbraw/zinc/02/67/32/252026732.db2.gz UDBPMYHJLKVCBK-HZMBPMFUSA-N 1 2 372.410 2.519 20 5 FFBDLO CN(CC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000272575280 252072199 /nfs/dbraw/zinc/07/21/99/252072199.db2.gz XAFHLQWMSXLWPA-AWEZNQCLSA-N 1 2 371.363 2.501 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000272566898 252069928 /nfs/dbraw/zinc/06/99/28/252069928.db2.gz VDACORFJHDZNBC-SJORKVTESA-N 1 2 372.425 2.693 20 5 FFBDLO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)c1ccsc1 ZINC000276014466 256065841 /nfs/dbraw/zinc/06/58/41/256065841.db2.gz AGYXFKJAEPVKRT-AWEZNQCLSA-N 1 2 369.468 2.775 20 5 FFBDLO CCOc1cc(C[NH+]2CCN(Cc3cc(C)on3)CC2)ccc1[N+](=O)[O-] ZINC000276850223 256136795 /nfs/dbraw/zinc/13/67/95/256136795.db2.gz DQRJZXZLQSWHEN-UHFFFAOYSA-N 1 2 360.414 2.608 20 5 FFBDLO C[C@@H]1CN(c2ccc(CNc3nc4cc([N+](=O)[O-])ccc4[nH]3)c[nH+]2)CCO1 ZINC000277885695 256251558 /nfs/dbraw/zinc/25/15/58/256251558.db2.gz PZPBBJCEMQOKMI-GFCCVEGCSA-N 1 2 368.397 2.703 20 5 FFBDLO C[C@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@]2(CCOC2)O1 ZINC000280264548 256497909 /nfs/dbraw/zinc/49/79/09/256497909.db2.gz CJMHDHKDXPZVAT-SCLBCKFNSA-N 1 2 359.382 2.630 20 5 FFBDLO C[C@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@]2(CCOC2)O1 ZINC000280264548 256497911 /nfs/dbraw/zinc/49/79/11/256497911.db2.gz CJMHDHKDXPZVAT-SCLBCKFNSA-N 1 2 359.382 2.630 20 5 FFBDLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000286483833 257039400 /nfs/dbraw/zinc/03/94/00/257039400.db2.gz LLYVYMRGYLPJRQ-ZDUSSCGKSA-N 1 2 350.268 2.661 20 5 FFBDLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000286483833 257039401 /nfs/dbraw/zinc/03/94/01/257039401.db2.gz LLYVYMRGYLPJRQ-ZDUSSCGKSA-N 1 2 350.268 2.661 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)c1C ZINC000289071842 257253778 /nfs/dbraw/zinc/25/37/78/257253778.db2.gz ZNGXJODYAHGWFT-ZDUSSCGKSA-N 1 2 352.416 2.610 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@@H](n4cc(Cl)cn4)C3)n2)cc1 ZINC000289697523 257294490 /nfs/dbraw/zinc/29/44/90/257294490.db2.gz BOTGGSIRFDZWPG-CQSZACIVSA-N 1 2 374.788 2.942 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@@H](n4cc(Cl)cn4)C3)n2)cc1 ZINC000289697523 257294491 /nfs/dbraw/zinc/29/44/91/257294491.db2.gz BOTGGSIRFDZWPG-CQSZACIVSA-N 1 2 374.788 2.942 20 5 FFBDLO CC(C)S(=O)(=O)CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000290156812 257317890 /nfs/dbraw/zinc/31/78/90/257317890.db2.gz LMKJAILHKZZSKG-UHFFFAOYSA-N 1 2 369.468 2.631 20 5 FFBDLO CC1(C)CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H]1[C@@H]1CCCO1 ZINC000291210204 257391760 /nfs/dbraw/zinc/39/17/60/257391760.db2.gz LZGBPSOLIRXOIS-IRXDYDNUSA-N 1 2 370.409 2.810 20 5 FFBDLO C[C@H](CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000295045462 257613497 /nfs/dbraw/zinc/61/34/97/257613497.db2.gz SKBJDTIOVCWXCO-SNVBAGLBSA-N 1 2 356.304 2.876 20 5 FFBDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000296945513 257770629 /nfs/dbraw/zinc/77/06/29/257770629.db2.gz VORAAJSTLGJJLF-HNNXBMFYSA-N 1 2 369.425 2.578 20 5 FFBDLO Cc1cc(N[C@H](C(N)=O)c2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301120458 258026880 /nfs/dbraw/zinc/02/68/80/258026880.db2.gz QCYSXOUNOQNYOC-KRWDZBQOSA-N 1 2 363.377 2.999 20 5 FFBDLO Cc1cc(N2CCN(c3nccc(C)c3[N+](=O)[O-])CC2)nc(C(C)C)[nH+]1 ZINC000301309671 258041799 /nfs/dbraw/zinc/04/17/99/258041799.db2.gz XWELIGRXJNOGJC-UHFFFAOYSA-N 1 2 356.430 2.847 20 5 FFBDLO COc1cc(F)c([N+](=O)[O-])c(NCc2ccc[nH+]c2N2CCOCC2)c1 ZINC000301348541 258044623 /nfs/dbraw/zinc/04/46/23/258044623.db2.gz LQCPNSWGYNXXSH-UHFFFAOYSA-N 1 2 362.361 2.586 20 5 FFBDLO Cc1c(CNc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)cccc1[N+](=O)[O-] ZINC000302830888 258112127 /nfs/dbraw/zinc/11/21/27/258112127.db2.gz KSTQKYYMRBSKGC-OAHLLOKOSA-N 1 2 357.414 2.657 20 5 FFBDLO Cc1c(CNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)cccc1[N+](=O)[O-] ZINC000302830888 258112128 /nfs/dbraw/zinc/11/21/28/258112128.db2.gz KSTQKYYMRBSKGC-OAHLLOKOSA-N 1 2 357.414 2.657 20 5 FFBDLO C[C@@H]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1n1cc[nH+]c1 ZINC000332432148 258230329 /nfs/dbraw/zinc/23/03/29/258230329.db2.gz QFASPJDQOMTHGW-BDJLRTHQSA-N 1 2 364.352 2.722 20 5 FFBDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])C2 ZINC000332636501 258238668 /nfs/dbraw/zinc/23/86/68/258238668.db2.gz QTFZHNVFUXHXDA-LBPRGKRZSA-N 1 2 360.389 2.973 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCOC[C@@H]1c1ccco1 ZINC000370911676 512129820 /nfs/dbraw/zinc/12/98/20/512129820.db2.gz OBVOROUTMGHLMX-MRXNPFEDSA-N 1 2 368.349 2.587 20 5 FFBDLO Cc1cn2c([nH+]1)[C@H](CNc1ccc(C(=O)NC3CC3)cc1[N+](=O)[O-])CCC2 ZINC000366689950 512142043 /nfs/dbraw/zinc/14/20/43/512142043.db2.gz SNWKKOSZQOYIMU-AWEZNQCLSA-N 1 2 369.425 2.981 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000366721506 512157292 /nfs/dbraw/zinc/15/72/92/512157292.db2.gz VJTXYMYXUMQEPE-LBPRGKRZSA-N 1 2 359.386 2.807 20 5 FFBDLO C[C@@H](C1CC1)N(C(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CC1 ZINC000052844773 506263069 /nfs/dbraw/zinc/26/30/69/506263069.db2.gz QVKCFNDBWPJTGT-HNNXBMFYSA-N 1 2 372.469 2.506 20 5 FFBDLO O=C(N[C@H]1COc2ccccc2C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000053042877 506299924 /nfs/dbraw/zinc/29/99/24/506299924.db2.gz DGPDACSSHYAPOM-OAHLLOKOSA-N 1 2 364.361 2.514 20 5 FFBDLO COc1ccccc1COC1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000373166446 512203295 /nfs/dbraw/zinc/20/32/95/512203295.db2.gz MFKBQNLBWDPCFN-UHFFFAOYSA-N 1 2 360.414 2.518 20 5 FFBDLO C[C@@H](NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000375262088 512238558 /nfs/dbraw/zinc/23/85/58/512238558.db2.gz NPYGFENVABMASV-IIAWOOMASA-N 1 2 354.410 2.940 20 5 FFBDLO CNC(=O)c1ccc(NCc2ccc(N3CCCCC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000053572361 506407184 /nfs/dbraw/zinc/40/71/84/506407184.db2.gz QEFIIRUDFBYRLR-UHFFFAOYSA-N 1 2 369.425 2.952 20 5 FFBDLO COc1ccc(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cc1[N+](=O)[O-] ZINC000041789650 506550050 /nfs/dbraw/zinc/55/00/50/506550050.db2.gz SYKOHUZZHBEAQT-UHFFFAOYSA-N 1 2 360.757 2.835 20 5 FFBDLO O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000044567299 506856829 /nfs/dbraw/zinc/85/68/29/506856829.db2.gz HHRSNEQLIOILHR-UHFFFAOYSA-N 1 2 366.381 2.630 20 5 FFBDLO Cc1cc(C(=O)Nc2ccccc2C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000055816105 506857930 /nfs/dbraw/zinc/85/79/30/506857930.db2.gz TYPSPKXXPZGESR-UHFFFAOYSA-N 1 2 355.394 2.988 20 5 FFBDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)NCc1cccc([N+](=O)[O-])c1 ZINC000067536265 506914183 /nfs/dbraw/zinc/91/41/83/506914183.db2.gz DVPOVNOPBUJYOK-UHFFFAOYSA-N 1 2 359.773 2.895 20 5 FFBDLO CCOc1ccc(C(=O)NCC[NH+]2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000067744247 506995271 /nfs/dbraw/zinc/99/52/71/506995271.db2.gz CTJGEFOXRJIMRW-UHFFFAOYSA-N 1 2 355.394 2.739 20 5 FFBDLO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@H]1COc2ccccc2O1 ZINC000015297049 507028003 /nfs/dbraw/zinc/02/80/03/507028003.db2.gz ZPQUKLCTBDYOBZ-MRXNPFEDSA-N 1 2 372.377 2.733 20 5 FFBDLO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@H]1COc2ccccc2O1 ZINC000015297049 507028009 /nfs/dbraw/zinc/02/80/09/507028009.db2.gz ZPQUKLCTBDYOBZ-MRXNPFEDSA-N 1 2 372.377 2.733 20 5 FFBDLO O=C(Nc1ccc2c(c1)OCO2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000016018544 507070099 /nfs/dbraw/zinc/07/00/99/507070099.db2.gz RUQIDWBGBAHFKS-UHFFFAOYSA-N 1 2 352.306 2.762 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375440749 512329219 /nfs/dbraw/zinc/32/92/19/512329219.db2.gz XTGNXEFAVXSHMN-DGCLKSJQSA-N 1 2 371.397 2.672 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375440749 512329224 /nfs/dbraw/zinc/32/92/24/512329224.db2.gz XTGNXEFAVXSHMN-DGCLKSJQSA-N 1 2 371.397 2.672 20 5 FFBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000367086358 512332045 /nfs/dbraw/zinc/33/20/45/512332045.db2.gz TZONRJWBFXMXEQ-APWZRJJASA-N 1 2 368.437 2.732 20 5 FFBDLO Cc1cccn2cc(CN3CCN(c4ccccc4[N+](=O)[O-])CC3)[nH+]c12 ZINC000057849853 507341946 /nfs/dbraw/zinc/34/19/46/507341946.db2.gz KUNRQODKHYDQSG-UHFFFAOYSA-N 1 2 351.410 2.873 20 5 FFBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000068944469 507368765 /nfs/dbraw/zinc/36/87/65/507368765.db2.gz PQXLIKPFSGLAIH-UHFFFAOYSA-N 1 2 374.422 2.592 20 5 FFBDLO Cc1ccccc1NC(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047745323 507387826 /nfs/dbraw/zinc/38/78/26/507387826.db2.gz PQSWGSAAGKLOKB-UHFFFAOYSA-N 1 2 354.410 2.664 20 5 FFBDLO Cc1ccc(NC(=O)C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c(C)c1 ZINC000047745475 507388159 /nfs/dbraw/zinc/38/81/59/507388159.db2.gz QRCBJZGCTOQUFZ-UHFFFAOYSA-N 1 2 368.437 2.972 20 5 FFBDLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000026215553 507568453 /nfs/dbraw/zinc/56/84/53/507568453.db2.gz IQIUMPCEUZUMHK-UHFFFAOYSA-N 1 2 350.378 2.812 20 5 FFBDLO CC(=O)Nc1cccc(NC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000026346327 507580718 /nfs/dbraw/zinc/58/07/18/507580718.db2.gz AGCYNJDQBXGKNC-UHFFFAOYSA-N 1 2 356.382 2.624 20 5 FFBDLO CC(=O)Nc1cccc(NC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000026346327 507580722 /nfs/dbraw/zinc/58/07/22/507580722.db2.gz AGCYNJDQBXGKNC-UHFFFAOYSA-N 1 2 356.382 2.624 20 5 FFBDLO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000061624222 507629891 /nfs/dbraw/zinc/62/98/91/507629891.db2.gz OHYUYLUDXVDOJA-UHFFFAOYSA-N 1 2 352.350 2.725 20 5 FFBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1cn2ccccc2[nH+]1 ZINC000064722436 507807231 /nfs/dbraw/zinc/80/72/31/507807231.db2.gz NNPJPLVTPYZTBM-NSHDSACASA-N 1 2 374.784 2.980 20 5 FFBDLO Cn1nc(C(C)(C)C)cc1NC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000052590054 507814870 /nfs/dbraw/zinc/81/48/70/507814870.db2.gz AUEDDHWEKQSSJP-UHFFFAOYSA-N 1 2 359.430 2.696 20 5 FFBDLO Cn1nc(C(C)(C)C)cc1NC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000052590054 507814872 /nfs/dbraw/zinc/81/48/72/507814872.db2.gz AUEDDHWEKQSSJP-UHFFFAOYSA-N 1 2 359.430 2.696 20 5 FFBDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000052589741 507814912 /nfs/dbraw/zinc/81/49/12/507814912.db2.gz PDQRQTHOCOIFQG-QAPCUYQASA-N 1 2 363.458 2.738 20 5 FFBDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000052589741 507814913 /nfs/dbraw/zinc/81/49/13/507814913.db2.gz PDQRQTHOCOIFQG-QAPCUYQASA-N 1 2 363.458 2.738 20 5 FFBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000073635545 507940943 /nfs/dbraw/zinc/94/09/43/507940943.db2.gz GIMVPVQETIHNFM-UHFFFAOYSA-N 1 2 358.379 2.890 20 5 FFBDLO CCC[C@@](C)([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(=O)OC ZINC000109803329 507988605 /nfs/dbraw/zinc/98/86/05/507988605.db2.gz HUMXYPGRLRCSTJ-QGZVFWFLSA-N 1 2 351.403 2.553 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@]2(CCCOC2)C1 ZINC000079986648 508023353 /nfs/dbraw/zinc/02/33/53/508023353.db2.gz WLZPUIIIVHSCSS-LJQANCHMSA-N 1 2 370.409 2.813 20 5 FFBDLO Cc1ccc(C[N@@H+](CC(=O)N2CCCC2)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000093666803 508151935 /nfs/dbraw/zinc/15/19/35/508151935.db2.gz ZENOCRWONCOZIX-KRWDZBQOSA-N 1 2 361.442 2.507 20 5 FFBDLO Cc1ccc(C[N@H+](CC(=O)N2CCCC2)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000093666803 508151938 /nfs/dbraw/zinc/15/19/38/508151938.db2.gz ZENOCRWONCOZIX-KRWDZBQOSA-N 1 2 361.442 2.507 20 5 FFBDLO Cn1cc[nH+]c1C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000081316089 508161418 /nfs/dbraw/zinc/16/14/18/508161418.db2.gz OSQVPUDMJACVSM-QGZVFWFLSA-N 1 2 364.405 2.971 20 5 FFBDLO COc1ccccc1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000076226936 508172523 /nfs/dbraw/zinc/17/25/23/508172523.db2.gz BOOOOFWBCAZDTP-UHFFFAOYSA-N 1 2 369.421 2.870 20 5 FFBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCCN(c4nccs4)CC3)nc2c1 ZINC000083169392 508238514 /nfs/dbraw/zinc/23/85/14/508238514.db2.gz JOJHQHNYAZWYGV-UHFFFAOYSA-N 1 2 359.411 2.905 20 5 FFBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCCN(c4nccs4)CC3)nc2c1 ZINC000083169392 508238516 /nfs/dbraw/zinc/23/85/16/508238516.db2.gz JOJHQHNYAZWYGV-UHFFFAOYSA-N 1 2 359.411 2.905 20 5 FFBDLO O=C(c1cccc(F)c1)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000076910736 508261869 /nfs/dbraw/zinc/26/18/69/508261869.db2.gz DKUFZWREHGFJTN-UHFFFAOYSA-N 1 2 357.385 2.734 20 5 FFBDLO O=C(Nc1cnc(C2CC2)nc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000103018054 508292727 /nfs/dbraw/zinc/29/27/27/508292727.db2.gz LWLHBESZOVYIRN-UHFFFAOYSA-N 1 2 350.338 2.700 20 5 FFBDLO C[C@H](C(=O)N1CCc2ccccc21)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606891 508378769 /nfs/dbraw/zinc/37/87/69/508378769.db2.gz VBMHPVHCWUWZGR-CQSZACIVSA-N 1 2 351.406 2.931 20 5 FFBDLO C[C@H](C(=O)N1CCc2ccccc21)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606891 508378773 /nfs/dbraw/zinc/37/87/73/508378773.db2.gz VBMHPVHCWUWZGR-CQSZACIVSA-N 1 2 351.406 2.931 20 5 FFBDLO CCOC(=O)c1ccnc(NCCc2[nH]c3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000077905514 508390728 /nfs/dbraw/zinc/39/07/28/508390728.db2.gz UATLVFYYALMFQO-UHFFFAOYSA-N 1 2 355.354 2.697 20 5 FFBDLO CC(=O)c1cccc(OC[C@H](O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153095046 508547357 /nfs/dbraw/zinc/54/73/57/508547357.db2.gz RFDMQTUMEXPODI-QGZVFWFLSA-N 1 2 370.405 2.595 20 5 FFBDLO CC(=O)c1cccc(OC[C@H](O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153095046 508547363 /nfs/dbraw/zinc/54/73/63/508547363.db2.gz RFDMQTUMEXPODI-QGZVFWFLSA-N 1 2 370.405 2.595 20 5 FFBDLO O=[N+]([O-])c1ccc(OCCCN2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000153129551 508550540 /nfs/dbraw/zinc/55/05/40/508550540.db2.gz HPVIEVVWGUKNON-UHFFFAOYSA-N 1 2 356.426 2.577 20 5 FFBDLO C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153235945 508561932 /nfs/dbraw/zinc/56/19/32/508561932.db2.gz NWVLKQTUUNVWIP-ZDUSSCGKSA-N 1 2 371.462 2.988 20 5 FFBDLO C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153235945 508561934 /nfs/dbraw/zinc/56/19/34/508561934.db2.gz NWVLKQTUUNVWIP-ZDUSSCGKSA-N 1 2 371.462 2.988 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000153311943 508570758 /nfs/dbraw/zinc/57/07/58/508570758.db2.gz VPFSLVHKUSTSNU-ZDUSSCGKSA-N 1 2 355.394 2.989 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000153311943 508570763 /nfs/dbraw/zinc/57/07/63/508570763.db2.gz VPFSLVHKUSTSNU-ZDUSSCGKSA-N 1 2 355.394 2.989 20 5 FFBDLO COc1ccc(CNC(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000153318176 508571520 /nfs/dbraw/zinc/57/15/20/508571520.db2.gz GLAFQQCBPFUHPO-UHFFFAOYSA-N 1 2 369.421 2.884 20 5 FFBDLO COc1ccc(CNC(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000153318176 508571524 /nfs/dbraw/zinc/57/15/24/508571524.db2.gz GLAFQQCBPFUHPO-UHFFFAOYSA-N 1 2 369.421 2.884 20 5 FFBDLO C[NH+](C)CCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000135221502 508591498 /nfs/dbraw/zinc/59/14/98/508591498.db2.gz LMWOEKXGFDWJFC-UHFFFAOYSA-N 1 2 359.382 2.883 20 5 FFBDLO Cc1cc([C@H]2C[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CCO2)ccc1F ZINC000128700375 508630782 /nfs/dbraw/zinc/63/07/82/508630782.db2.gz CFARJVZHOWGHNN-GOSISDBHSA-N 1 2 373.384 2.715 20 5 FFBDLO Cc1cc([C@H]2C[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CCO2)ccc1F ZINC000128700375 508630784 /nfs/dbraw/zinc/63/07/84/508630784.db2.gz CFARJVZHOWGHNN-GOSISDBHSA-N 1 2 373.384 2.715 20 5 FFBDLO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Cn1cc[nH+]c1 ZINC000123551812 508704096 /nfs/dbraw/zinc/70/40/96/508704096.db2.gz SGYCJIAFUQYZAX-JTQLQIEISA-N 1 2 356.304 2.876 20 5 FFBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000129711278 508757242 /nfs/dbraw/zinc/75/72/42/508757242.db2.gz DUKMJKKVEVTEAW-UHFFFAOYSA-N 1 2 357.370 2.779 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000129815326 508769021 /nfs/dbraw/zinc/76/90/21/508769021.db2.gz ZZKGGFRVCDNWEX-XJKSGUPXSA-N 1 2 357.414 2.621 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000129815326 508769026 /nfs/dbraw/zinc/76/90/26/508769026.db2.gz ZZKGGFRVCDNWEX-XJKSGUPXSA-N 1 2 357.414 2.621 20 5 FFBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000119749974 508855742 /nfs/dbraw/zinc/85/57/42/508855742.db2.gz MFFZHFQRRQPPHF-UHFFFAOYSA-N 1 2 354.370 2.882 20 5 FFBDLO Cc1c(CC(=O)N2CC[NH+](Cc3cccs3)CC2)cccc1[N+](=O)[O-] ZINC000159744226 508884099 /nfs/dbraw/zinc/88/40/99/508884099.db2.gz KQCMEFSRAAPZAH-UHFFFAOYSA-N 1 2 359.451 2.852 20 5 FFBDLO COc1cc(N2CCC[N@H+](Cc3cscn3)CC2)c([N+](=O)[O-])cc1F ZINC000124864475 508897039 /nfs/dbraw/zinc/89/70/39/508897039.db2.gz BWLQEGAAPFFRME-UHFFFAOYSA-N 1 2 366.418 2.911 20 5 FFBDLO COc1cc(N2CCC[N@@H+](Cc3cscn3)CC2)c([N+](=O)[O-])cc1F ZINC000124864475 508897042 /nfs/dbraw/zinc/89/70/42/508897042.db2.gz BWLQEGAAPFFRME-UHFFFAOYSA-N 1 2 366.418 2.911 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120012597 508909703 /nfs/dbraw/zinc/90/97/03/508909703.db2.gz JPXXVSXXUMKTGR-UHFFFAOYSA-N 1 2 350.806 2.966 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1cc(Cl)cn1C ZINC000120012597 508909704 /nfs/dbraw/zinc/90/97/04/508909704.db2.gz JPXXVSXXUMKTGR-UHFFFAOYSA-N 1 2 350.806 2.966 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120136670 508936133 /nfs/dbraw/zinc/93/61/33/508936133.db2.gz JSNNHMBUKQBRDL-UHFFFAOYSA-N 1 2 350.806 2.966 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)Cc1cc(Cl)cn1C ZINC000120136670 508936137 /nfs/dbraw/zinc/93/61/37/508936137.db2.gz JSNNHMBUKQBRDL-UHFFFAOYSA-N 1 2 350.806 2.966 20 5 FFBDLO CCOc1cc(C(=O)N2CCC(n3cc[nH+]c3)CC2)c([N+](=O)[O-])cc1OC ZINC000120329309 508973923 /nfs/dbraw/zinc/97/39/23/508973923.db2.gz CBIFISAFUXSWRS-UHFFFAOYSA-N 1 2 374.397 2.676 20 5 FFBDLO COc1ccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c(OC)c1 ZINC000160427278 508985187 /nfs/dbraw/zinc/98/51/87/508985187.db2.gz OUCXFDKQUJBQQE-UHFFFAOYSA-N 1 2 357.410 2.934 20 5 FFBDLO C[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H](c2ccsc2)O1 ZINC000120672936 509042673 /nfs/dbraw/zinc/04/26/73/509042673.db2.gz NWXHRYMNOPQVEH-MEDUHNTESA-N 1 2 361.423 2.717 20 5 FFBDLO C[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H](c2ccsc2)O1 ZINC000120672936 509042675 /nfs/dbraw/zinc/04/26/75/509042675.db2.gz NWXHRYMNOPQVEH-MEDUHNTESA-N 1 2 361.423 2.717 20 5 FFBDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000161112562 509073289 /nfs/dbraw/zinc/07/32/89/509073289.db2.gz AQBGNNVKQCJCFF-CYBMUJFWSA-N 1 2 358.398 2.848 20 5 FFBDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000161112562 509073291 /nfs/dbraw/zinc/07/32/91/509073291.db2.gz AQBGNNVKQCJCFF-CYBMUJFWSA-N 1 2 358.398 2.848 20 5 FFBDLO O=C(CC[N@@H+]1CCO[C@H](c2cccc(O)c2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000121564188 509178581 /nfs/dbraw/zinc/17/85/81/509178581.db2.gz YGQMSXLRIDKJPP-SFHVURJKSA-N 1 2 371.393 2.703 20 5 FFBDLO O=C(CC[N@H+]1CCO[C@H](c2cccc(O)c2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000121564188 509178582 /nfs/dbraw/zinc/17/85/82/509178582.db2.gz YGQMSXLRIDKJPP-SFHVURJKSA-N 1 2 371.393 2.703 20 5 FFBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000266788969 509194617 /nfs/dbraw/zinc/19/46/17/509194617.db2.gz DYMHQSIDFLHKEM-UHFFFAOYSA-N 1 2 369.421 2.699 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCc2[nH+]ccn2CC(C)C)c1C ZINC000182414588 509227153 /nfs/dbraw/zinc/22/71/53/509227153.db2.gz QRGKVUOFWPTKRU-UHFFFAOYSA-N 1 2 366.443 2.543 20 5 FFBDLO Cc1c(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000263949271 509244560 /nfs/dbraw/zinc/24/45/60/509244560.db2.gz NRUHXAKEOWBOPW-GFCCVEGCSA-N 1 2 373.369 2.863 20 5 FFBDLO COc1cccc2c1CC[N@@H+]([C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000182674118 509364278 /nfs/dbraw/zinc/36/42/78/509364278.db2.gz KZHCGCUIJGZJDO-GOSISDBHSA-N 1 2 367.405 2.767 20 5 FFBDLO COc1cccc2c1CC[N@H+]([C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000182674118 509364285 /nfs/dbraw/zinc/36/42/85/509364285.db2.gz KZHCGCUIJGZJDO-GOSISDBHSA-N 1 2 367.405 2.767 20 5 FFBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173110082 509401004 /nfs/dbraw/zinc/40/10/04/509401004.db2.gz XERHJMRISPUUAC-UHFFFAOYSA-N 1 2 369.421 2.917 20 5 FFBDLO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000248769986 509477903 /nfs/dbraw/zinc/47/79/03/509477903.db2.gz QPBPFQDJXRVVOY-BBWFWOEESA-N 1 2 374.485 2.895 20 5 FFBDLO COc1cc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc([N+](=O)[O-])c1C ZINC000189340760 509528513 /nfs/dbraw/zinc/52/85/13/509528513.db2.gz FYRIKAUNBILKHW-MLGOLLRUSA-N 1 2 358.398 2.832 20 5 FFBDLO CC[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CCS(=O)(=O)C1 ZINC000179597361 509528911 /nfs/dbraw/zinc/52/89/11/509528911.db2.gz HOCFEOCPZVIRRW-CYBMUJFWSA-N 1 2 364.423 2.864 20 5 FFBDLO CC[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CCS(=O)(=O)C1 ZINC000179597361 509528917 /nfs/dbraw/zinc/52/89/17/509528917.db2.gz HOCFEOCPZVIRRW-CYBMUJFWSA-N 1 2 364.423 2.864 20 5 FFBDLO CCN1CC[NH+]([C@H]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)CC1 ZINC000264440532 509529186 /nfs/dbraw/zinc/52/91/86/509529186.db2.gz WSQVTFLLCSOQOP-AWEZNQCLSA-N 1 2 372.391 2.830 20 5 FFBDLO Cc1cc(N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c(Br)cc1[N+](=O)[O-] ZINC000192795874 509649317 /nfs/dbraw/zinc/64/93/17/509649317.db2.gz UOGUTAXXDHBFCB-NWDGAFQWSA-N 1 2 372.263 2.557 20 5 FFBDLO Cc1cc(N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c(Br)cc1[N+](=O)[O-] ZINC000192795874 509649326 /nfs/dbraw/zinc/64/93/26/509649326.db2.gz UOGUTAXXDHBFCB-NWDGAFQWSA-N 1 2 372.263 2.557 20 5 FFBDLO O=C1CCc2cc([N+](=O)[O-])c(NCc3cccnc3-n3cc[nH+]c3)cc2N1 ZINC000170639511 509692280 /nfs/dbraw/zinc/69/22/80/509692280.db2.gz SYRZXJCPIBDPCD-UHFFFAOYSA-N 1 2 364.365 2.672 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC(=O)OC(C)(C)C ZINC000170645917 509695223 /nfs/dbraw/zinc/69/52/23/509695223.db2.gz HBGKTWKVJTWMMN-UHFFFAOYSA-N 1 2 351.403 2.505 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC(=O)OC(C)(C)C ZINC000170645917 509695228 /nfs/dbraw/zinc/69/52/28/509695228.db2.gz HBGKTWKVJTWMMN-UHFFFAOYSA-N 1 2 351.403 2.505 20 5 FFBDLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000177183555 509923685 /nfs/dbraw/zinc/92/36/85/509923685.db2.gz MYJGSSPCXVXUCL-UHFFFAOYSA-N 1 2 354.341 2.909 20 5 FFBDLO COCCO[C@H]1CCCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000193562128 509966331 /nfs/dbraw/zinc/96/63/31/509966331.db2.gz SCYYBKZLCSNYSI-KRWDZBQOSA-N 1 2 372.425 2.992 20 5 FFBDLO O=C(C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000193578092 509972905 /nfs/dbraw/zinc/97/29/05/509972905.db2.gz BXMJUXHRINPAQT-LLVKDONJSA-N 1 2 363.805 2.789 20 5 FFBDLO O=C(C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000193578092 509972916 /nfs/dbraw/zinc/97/29/16/509972916.db2.gz BXMJUXHRINPAQT-LLVKDONJSA-N 1 2 363.805 2.789 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2cn(Cc3cccnc3)nn2)c(Cl)c1 ZINC000183802584 509982369 /nfs/dbraw/zinc/98/23/69/509982369.db2.gz DTVDZECQIABQMA-UHFFFAOYSA-N 1 2 358.789 2.573 20 5 FFBDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H](C)O1 ZINC000180666596 510044505 /nfs/dbraw/zinc/04/45/05/510044505.db2.gz LMMFZBWZHSJMJV-PXAZEXFGSA-N 1 2 360.366 2.617 20 5 FFBDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H](C)O1 ZINC000180666596 510044511 /nfs/dbraw/zinc/04/45/11/510044511.db2.gz LMMFZBWZHSJMJV-PXAZEXFGSA-N 1 2 360.366 2.617 20 5 FFBDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193795769 510075121 /nfs/dbraw/zinc/07/51/21/510075121.db2.gz FJUSERORHGWZSG-LBPRGKRZSA-N 1 2 366.374 2.602 20 5 FFBDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193795769 510075130 /nfs/dbraw/zinc/07/51/30/510075130.db2.gz FJUSERORHGWZSG-LBPRGKRZSA-N 1 2 366.374 2.602 20 5 FFBDLO Nc1cccc([N+](=O)[O-])c1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000193894575 510118020 /nfs/dbraw/zinc/11/80/20/510118020.db2.gz YDRQOXVRZYQCHC-UHFFFAOYSA-N 1 2 361.427 2.872 20 5 FFBDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000265631110 510146496 /nfs/dbraw/zinc/14/64/96/510146496.db2.gz PHOYUMBGXLWAMY-OCDDVZBJSA-N 1 2 363.439 2.634 20 5 FFBDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000265631110 510146502 /nfs/dbraw/zinc/14/65/02/510146502.db2.gz PHOYUMBGXLWAMY-OCDDVZBJSA-N 1 2 363.439 2.634 20 5 FFBDLO COc1ccc([C@@H](CO)[N@H+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000193960573 510150452 /nfs/dbraw/zinc/15/04/52/510150452.db2.gz CIIOIESCKHXMGL-QGZVFWFLSA-N 1 2 361.354 2.677 20 5 FFBDLO COc1ccc([C@@H](CO)[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000193960573 510150458 /nfs/dbraw/zinc/15/04/58/510150458.db2.gz CIIOIESCKHXMGL-QGZVFWFLSA-N 1 2 361.354 2.677 20 5 FFBDLO C[C@H](c1cccnc1)[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000193959355 510150972 /nfs/dbraw/zinc/15/09/72/510150972.db2.gz PKJODXAUNGTOFF-CQSZACIVSA-N 1 2 371.397 2.777 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000184139304 510155366 /nfs/dbraw/zinc/15/53/66/510155366.db2.gz UUUREEPNZDQXJU-KRWDZBQOSA-N 1 2 355.394 2.732 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000184139304 510155375 /nfs/dbraw/zinc/15/53/75/510155375.db2.gz UUUREEPNZDQXJU-KRWDZBQOSA-N 1 2 355.394 2.732 20 5 FFBDLO COc1cc(C[NH+]2CCN(c3cccc(O)c3)CC2)c([N+](=O)[O-])cc1F ZINC000184238558 510211758 /nfs/dbraw/zinc/21/17/58/510211758.db2.gz USFKXCMQFOXAHL-UHFFFAOYSA-N 1 2 361.373 2.770 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000190568541 510211881 /nfs/dbraw/zinc/21/18/81/510211881.db2.gz HDNSTRKZBDPLIM-LBPRGKRZSA-N 1 2 365.430 2.820 20 5 FFBDLO COc1ccc(C[N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1O ZINC000174633354 510217673 /nfs/dbraw/zinc/21/76/73/510217673.db2.gz LZGNUAMREGAPJH-UHFFFAOYSA-N 1 2 370.365 2.991 20 5 FFBDLO COc1ccc(C[N@@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1O ZINC000174633354 510217681 /nfs/dbraw/zinc/21/76/81/510217681.db2.gz LZGNUAMREGAPJH-UHFFFAOYSA-N 1 2 370.365 2.991 20 5 FFBDLO C[C@H](c1nccs1)N1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000184614448 510419005 /nfs/dbraw/zinc/41/90/05/510419005.db2.gz VUPBKDXBWZTPKJ-CQSZACIVSA-N 1 2 362.455 2.809 20 5 FFBDLO CC(C)c1n[nH]c(C(=O)NCCNc2ccc3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000269462447 510419733 /nfs/dbraw/zinc/41/97/33/510419733.db2.gz HWGRDNYQFYXIRL-UHFFFAOYSA-N 1 2 368.397 2.831 20 5 FFBDLO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000269481330 510428849 /nfs/dbraw/zinc/42/88/49/510428849.db2.gz WEKHRAOODVPVKR-GFCCVEGCSA-N 1 2 360.418 2.678 20 5 FFBDLO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000269481330 510428853 /nfs/dbraw/zinc/42/88/53/510428853.db2.gz WEKHRAOODVPVKR-GFCCVEGCSA-N 1 2 360.418 2.678 20 5 FFBDLO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](c2ccccc2)O1 ZINC000181575058 510480569 /nfs/dbraw/zinc/48/05/69/510480569.db2.gz LLINKHXHCPXZNH-OXFYSEKESA-N 1 2 372.421 2.797 20 5 FFBDLO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](c2ccccc2)O1 ZINC000181575058 510480575 /nfs/dbraw/zinc/48/05/75/510480575.db2.gz LLINKHXHCPXZNH-OXFYSEKESA-N 1 2 372.421 2.797 20 5 FFBDLO CCc1ccc([C@@H](COC)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)o1 ZINC000184795325 510519709 /nfs/dbraw/zinc/51/97/09/510519709.db2.gz UNKAGDHCQXXEGI-MRXNPFEDSA-N 1 2 361.398 2.974 20 5 FFBDLO CCc1ccc([C@@H](COC)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)o1 ZINC000184845427 510542727 /nfs/dbraw/zinc/54/27/27/510542727.db2.gz ZKFPLKBJVJNFHB-DLBZAZTESA-N 1 2 373.409 2.833 20 5 FFBDLO Cc1cccc(C[NH+]2CCN(C(=O)c3cc([N+](=O)[O-])cnc3C)CC2)c1 ZINC000194928160 510595862 /nfs/dbraw/zinc/59/58/62/510595862.db2.gz XYONDBVKUWBKNF-UHFFFAOYSA-N 1 2 354.410 2.565 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1ncc(C)s1 ZINC000184994534 510622542 /nfs/dbraw/zinc/62/25/42/510622542.db2.gz XDINVBJVNXMSEH-SNVBAGLBSA-N 1 2 350.400 2.658 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000191403837 510642509 /nfs/dbraw/zinc/64/25/09/510642509.db2.gz ZFNWFBNDACPRND-UHFFFAOYSA-N 1 2 369.425 2.956 20 5 FFBDLO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1nc(C(C)(C)C)no1 ZINC000185152984 510714939 /nfs/dbraw/zinc/71/49/39/510714939.db2.gz IJIDQTPDMUSHCW-NSHDSACASA-N 1 2 373.413 2.515 20 5 FFBDLO C[C@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)no1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000185193316 510739805 /nfs/dbraw/zinc/73/98/05/510739805.db2.gz YSUNKXRWUDLDAI-QWRGUYRKSA-N 1 2 361.402 2.953 20 5 FFBDLO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H](CN1CCOCC1)c1ccccc1 ZINC000182164849 510790439 /nfs/dbraw/zinc/79/04/39/510790439.db2.gz OBCGEHKOZFMTLK-GOSISDBHSA-N 1 2 359.401 2.897 20 5 FFBDLO COCCN1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1=O ZINC000191703801 510793387 /nfs/dbraw/zinc/79/33/87/510793387.db2.gz OYSXWVNYJFLFFF-UHFFFAOYSA-N 1 2 373.409 2.536 20 5 FFBDLO COCCN1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1=O ZINC000191703801 510793396 /nfs/dbraw/zinc/79/33/96/510793396.db2.gz OYSXWVNYJFLFFF-UHFFFAOYSA-N 1 2 373.409 2.536 20 5 FFBDLO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCc2ccccc21 ZINC000182201152 510811118 /nfs/dbraw/zinc/81/11/18/510811118.db2.gz IAWYZSGPTQVJGH-SFHVURJKSA-N 1 2 360.435 2.988 20 5 FFBDLO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCc2ccccc21 ZINC000182201152 510811123 /nfs/dbraw/zinc/81/11/23/510811123.db2.gz IAWYZSGPTQVJGH-SFHVURJKSA-N 1 2 360.435 2.988 20 5 FFBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)COc1cccc(-n2cc[nH+]c2)c1 ZINC000182291853 510844843 /nfs/dbraw/zinc/84/48/43/510844843.db2.gz TYGDGCKXAVVZTE-OAHLLOKOSA-N 1 2 355.350 2.599 20 5 FFBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000364641731 510988285 /nfs/dbraw/zinc/98/82/85/510988285.db2.gz DIUDVRIXSZRXKX-SNVBAGLBSA-N 1 2 366.830 2.737 20 5 FFBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000364641731 510988288 /nfs/dbraw/zinc/98/82/88/510988288.db2.gz DIUDVRIXSZRXKX-SNVBAGLBSA-N 1 2 366.830 2.737 20 5 FFBDLO CC(C)(C)n1ncnc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000282707214 511080046 /nfs/dbraw/zinc/08/00/46/511080046.db2.gz PHUYTVPVIZKEEM-UHFFFAOYSA-N 1 2 355.345 2.833 20 5 FFBDLO COc1cc(C(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)c([N+](=O)[O-])cc1OC ZINC000297866310 511092767 /nfs/dbraw/zinc/09/27/67/511092767.db2.gz ZDPAFDUWCMZKIK-HNNXBMFYSA-N 1 2 374.397 2.569 20 5 FFBDLO CC(C)[C@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000271326111 511164387 /nfs/dbraw/zinc/16/43/87/511164387.db2.gz AAOLIGKAKMXHAU-WMLDXEAASA-N 1 2 358.398 2.714 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000298156354 511193002 /nfs/dbraw/zinc/19/30/02/511193002.db2.gz KXPUEYJCJNGTAE-QGZVFWFLSA-N 1 2 369.421 2.534 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000298156354 511193007 /nfs/dbraw/zinc/19/30/07/511193007.db2.gz KXPUEYJCJNGTAE-QGZVFWFLSA-N 1 2 369.421 2.534 20 5 FFBDLO Cn1ncc(Br)c1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000283084046 511228204 /nfs/dbraw/zinc/22/82/04/511228204.db2.gz ROWQWTCJECEMPY-UHFFFAOYSA-N 1 2 353.220 2.765 20 5 FFBDLO Cn1ncc(Br)c1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000283084046 511228208 /nfs/dbraw/zinc/22/82/08/511228208.db2.gz ROWQWTCJECEMPY-UHFFFAOYSA-N 1 2 353.220 2.765 20 5 FFBDLO COc1ccc(OC)c(C[N@H+](CCO)Cc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000283216616 511280825 /nfs/dbraw/zinc/28/08/25/511280825.db2.gz SKIKYCOXXYDXRC-UHFFFAOYSA-N 1 2 364.373 2.746 20 5 FFBDLO COc1ccc(OC)c(C[N@@H+](CCO)Cc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000283216616 511280828 /nfs/dbraw/zinc/28/08/28/511280828.db2.gz SKIKYCOXXYDXRC-UHFFFAOYSA-N 1 2 364.373 2.746 20 5 FFBDLO C[C@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1[N+](=O)[O-] ZINC000271708612 511295911 /nfs/dbraw/zinc/29/59/11/511295911.db2.gz OZVFWCOMWPCWPN-AWEZNQCLSA-N 1 2 355.398 2.583 20 5 FFBDLO CCC(=O)c1ccc(NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000280020252 511306462 /nfs/dbraw/zinc/30/64/62/511306462.db2.gz JUFRMKNWSVTGED-SFHVURJKSA-N 1 2 362.474 2.871 20 5 FFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000280385180 511446145 /nfs/dbraw/zinc/44/61/45/511446145.db2.gz KCNTWOWNIJNGAF-VFVRVIDISA-N 1 2 374.397 2.586 20 5 FFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000280385180 511446150 /nfs/dbraw/zinc/44/61/50/511446150.db2.gz KCNTWOWNIJNGAF-VFVRVIDISA-N 1 2 374.397 2.586 20 5 FFBDLO Cc1cc(OCc2nc([C@@H]3C[N@H+](C(C)C)CCO3)no2)ccc1[N+](=O)[O-] ZINC000280420514 511458480 /nfs/dbraw/zinc/45/84/80/511458480.db2.gz QQNLJZDWNMOAOJ-HNNXBMFYSA-N 1 2 362.386 2.647 20 5 FFBDLO Cc1cc(OCc2nc([C@@H]3C[N@@H+](C(C)C)CCO3)no2)ccc1[N+](=O)[O-] ZINC000280420514 511458484 /nfs/dbraw/zinc/45/84/84/511458484.db2.gz QQNLJZDWNMOAOJ-HNNXBMFYSA-N 1 2 362.386 2.647 20 5 FFBDLO O=[N+]([O-])c1cc(-c2nc([C@H]3C[N@@H+](C4CC4)CCO3)no2)ccc1NC1CC1 ZINC000273773758 511604039 /nfs/dbraw/zinc/60/40/39/511604039.db2.gz DZKLHUITBBRHLE-MRXNPFEDSA-N 1 2 371.397 2.755 20 5 FFBDLO O=[N+]([O-])c1cc(-c2nc([C@H]3C[N@H+](C4CC4)CCO3)no2)ccc1NC1CC1 ZINC000273773758 511604041 /nfs/dbraw/zinc/60/40/41/511604041.db2.gz DZKLHUITBBRHLE-MRXNPFEDSA-N 1 2 371.397 2.755 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000280853434 511629802 /nfs/dbraw/zinc/62/98/02/511629802.db2.gz AQIQWEIHXLFLBS-UHFFFAOYSA-N 1 2 358.398 2.801 20 5 FFBDLO CN1CCO[C@H]2CC[N@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@H]21 ZINC000284208956 511643058 /nfs/dbraw/zinc/64/30/58/511643058.db2.gz CCHXBFMBVMFXRP-SJORKVTESA-N 1 2 374.466 2.623 20 5 FFBDLO CN1CCO[C@H]2CC[N@@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@H]21 ZINC000284208956 511643062 /nfs/dbraw/zinc/64/30/62/511643062.db2.gz CCHXBFMBVMFXRP-SJORKVTESA-N 1 2 374.466 2.623 20 5 FFBDLO C[N@@H+]1CCO[C@H]2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@H]21 ZINC000284208956 511643066 /nfs/dbraw/zinc/64/30/66/511643066.db2.gz CCHXBFMBVMFXRP-SJORKVTESA-N 1 2 374.466 2.623 20 5 FFBDLO C[N@H+]1CCO[C@H]2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@H]21 ZINC000284208956 511643071 /nfs/dbraw/zinc/64/30/71/511643071.db2.gz CCHXBFMBVMFXRP-SJORKVTESA-N 1 2 374.466 2.623 20 5 FFBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3nc(-c4ccsc4)no3)CC2)n1 ZINC000365819338 511667389 /nfs/dbraw/zinc/66/73/89/511667389.db2.gz JAOUJGDXYFHIIV-UHFFFAOYSA-N 1 2 360.399 2.740 20 5 FFBDLO COc1ccc([C@@H](CNc2nccc(C)c2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000301309734 511692658 /nfs/dbraw/zinc/69/26/58/511692658.db2.gz YAHRCUPMIPMMQH-QGZVFWFLSA-N 1 2 372.425 2.792 20 5 FFBDLO CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000296521067 511779069 /nfs/dbraw/zinc/77/90/69/511779069.db2.gz AHXOHPHHEDHEBU-OAHLLOKOSA-N 1 2 360.370 2.522 20 5 FFBDLO CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000296521067 511779071 /nfs/dbraw/zinc/77/90/71/511779071.db2.gz AHXOHPHHEDHEBU-OAHLLOKOSA-N 1 2 360.370 2.522 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000281267591 511782686 /nfs/dbraw/zinc/78/26/86/511782686.db2.gz AWZPAJLRJFISNO-ZDUSSCGKSA-N 1 2 371.397 2.789 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(NC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)nc2c1 ZINC000312341639 511785033 /nfs/dbraw/zinc/78/50/33/511785033.db2.gz OISFWXDBEWKNOX-MRXNPFEDSA-N 1 2 367.409 2.784 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(NC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)nc2c1 ZINC000312341639 511785039 /nfs/dbraw/zinc/78/50/39/511785039.db2.gz OISFWXDBEWKNOX-MRXNPFEDSA-N 1 2 367.409 2.784 20 5 FFBDLO O=C(NCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1)C(F)(F)F ZINC000281402529 511833544 /nfs/dbraw/zinc/83/35/44/511833544.db2.gz XQJRMBHHKVAFHC-UHFFFAOYSA-N 1 2 363.311 2.624 20 5 FFBDLO COc1cc(Cc2noc(C[N@H+](C)[C@@H]3CCSC3)n2)ccc1[N+](=O)[O-] ZINC000350608334 511852822 /nfs/dbraw/zinc/85/28/22/511852822.db2.gz RNCKHIHOURXIBD-GFCCVEGCSA-N 1 2 364.427 2.515 20 5 FFBDLO COc1cc(Cc2noc(C[N@@H+](C)[C@@H]3CCSC3)n2)ccc1[N+](=O)[O-] ZINC000350608334 511852824 /nfs/dbraw/zinc/85/28/24/511852824.db2.gz RNCKHIHOURXIBD-GFCCVEGCSA-N 1 2 364.427 2.515 20 5 FFBDLO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)Cn1cc[nH+]c1 ZINC000293145748 511857321 /nfs/dbraw/zinc/85/73/21/511857321.db2.gz LOIIWGQYKJTUHN-JTQLQIEISA-N 1 2 356.304 2.876 20 5 FFBDLO O=[N+]([O-])c1ccccc1OCC[NH2+]C1(c2noc(C(F)F)n2)CCC1 ZINC000366305774 511948622 /nfs/dbraw/zinc/94/86/22/511948622.db2.gz BQLRTSVIJRAFFJ-UHFFFAOYSA-N 1 2 354.313 2.963 20 5 FFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN(C)[C@@H](c2nc(C3CC3)no2)C1 ZINC000284997486 511961917 /nfs/dbraw/zinc/96/19/17/511961917.db2.gz TWNZYTTWMHTWRQ-MLGOLLRUSA-N 1 2 357.414 2.905 20 5 FFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN(C)[C@@H](c2nc(C3CC3)no2)C1 ZINC000284997486 511961925 /nfs/dbraw/zinc/96/19/25/511961925.db2.gz TWNZYTTWMHTWRQ-MLGOLLRUSA-N 1 2 357.414 2.905 20 5 FFBDLO O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000375912183 512567018 /nfs/dbraw/zinc/56/70/18/512567018.db2.gz NTASRGRLFBZOFH-CYBMUJFWSA-N 1 2 370.409 2.853 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@H]1c1ccnn1C ZINC000374165661 512687692 /nfs/dbraw/zinc/68/76/92/512687692.db2.gz ZVXKMNUOZJDDJC-KRWDZBQOSA-N 1 2 357.414 2.802 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@H]1c1ccnn1C ZINC000374165661 512687695 /nfs/dbraw/zinc/68/76/95/512687695.db2.gz ZVXKMNUOZJDDJC-KRWDZBQOSA-N 1 2 357.414 2.802 20 5 FFBDLO Cc1ccn2cc(CNC(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)[nH+]c2c1 ZINC000411562833 512691127 /nfs/dbraw/zinc/69/11/27/512691127.db2.gz CLQRSVBGPWPBJO-DLBZAZTESA-N 1 2 350.378 2.971 20 5 FFBDLO Cc1cccc(NC[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)[nH+]1 ZINC000372240003 512775613 /nfs/dbraw/zinc/77/56/13/512775613.db2.gz FQUMLBODCCQFIR-CQSZACIVSA-N 1 2 356.382 2.721 20 5 FFBDLO CCOc1ccc(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)cc1[N+](=O)[O-] ZINC000372244691 512777157 /nfs/dbraw/zinc/77/71/57/512777157.db2.gz LARMZRWWQLUUEF-CQSZACIVSA-N 1 2 358.398 2.806 20 5 FFBDLO O=C(C[NH+]1CCC(Cc2cccnc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000374482006 512852561 /nfs/dbraw/zinc/85/25/61/512852561.db2.gz PWPMYYWRGOWIGJ-UHFFFAOYSA-N 1 2 354.410 2.883 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411920257 512875606 /nfs/dbraw/zinc/87/56/06/512875606.db2.gz CDBMBQQHXOCJRH-AEFFLSMTSA-N 1 2 355.394 2.650 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411920257 512875608 /nfs/dbraw/zinc/87/56/08/512875608.db2.gz CDBMBQQHXOCJRH-AEFFLSMTSA-N 1 2 355.394 2.650 20 5 FFBDLO Cc1nnc([C@@H]2CC[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)[nH]1 ZINC000412046951 512929353 /nfs/dbraw/zinc/92/93/53/512929353.db2.gz SZPJZWRGUDQNDN-CYBMUJFWSA-N 1 2 354.370 2.666 20 5 FFBDLO Cc1nnc([C@@H]2CC[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)[nH]1 ZINC000412046951 512929361 /nfs/dbraw/zinc/92/93/61/512929361.db2.gz SZPJZWRGUDQNDN-CYBMUJFWSA-N 1 2 354.370 2.666 20 5 FFBDLO Cc1n[nH]c([C@@H]2CC[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)n1 ZINC000412046951 512929363 /nfs/dbraw/zinc/92/93/63/512929363.db2.gz SZPJZWRGUDQNDN-CYBMUJFWSA-N 1 2 354.370 2.666 20 5 FFBDLO Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)n1 ZINC000412046951 512929368 /nfs/dbraw/zinc/92/93/68/512929368.db2.gz SZPJZWRGUDQNDN-CYBMUJFWSA-N 1 2 354.370 2.666 20 5 FFBDLO Cc1nc([C@@H]2CC[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)n[nH]1 ZINC000412046951 512929373 /nfs/dbraw/zinc/92/93/73/512929373.db2.gz SZPJZWRGUDQNDN-CYBMUJFWSA-N 1 2 354.370 2.666 20 5 FFBDLO Cc1nc([C@@H]2CC[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)n[nH]1 ZINC000412046951 512929375 /nfs/dbraw/zinc/92/93/75/512929375.db2.gz SZPJZWRGUDQNDN-CYBMUJFWSA-N 1 2 354.370 2.666 20 5 FFBDLO CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)(C)C[NH+]1CCOCC1 ZINC000412092785 512956249 /nfs/dbraw/zinc/95/62/49/512956249.db2.gz IKXPMPYPKAUCKD-UHFFFAOYSA-N 1 2 374.441 2.792 20 5 FFBDLO CO[C@@](C)([C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000412620460 513192952 /nfs/dbraw/zinc/19/29/52/513192952.db2.gz VEXBBIIJIMUZIR-XIKOKIGWSA-N 1 2 358.398 2.714 20 5 FFBDLO C[C@H]1C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)Cc2ccccc2O1 ZINC000429171315 513296325 /nfs/dbraw/zinc/29/63/25/513296325.db2.gz NECUSKRWIYEJMV-KSSFIOAISA-N 1 2 367.405 2.983 20 5 FFBDLO C[C@H]1C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)Cc2ccccc2O1 ZINC000429171315 513296332 /nfs/dbraw/zinc/29/63/32/513296332.db2.gz NECUSKRWIYEJMV-KSSFIOAISA-N 1 2 367.405 2.983 20 5 FFBDLO CCO[C@@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000450745656 513323347 /nfs/dbraw/zinc/32/33/47/513323347.db2.gz POMBGWTVKNMJLX-HNAYVOBHSA-N 1 2 363.458 2.678 20 5 FFBDLO CC(C)c1ncc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000440476959 513328313 /nfs/dbraw/zinc/32/83/13/513328313.db2.gz HUINEBCZDQWHQO-ZDUSSCGKSA-N 1 2 357.414 2.967 20 5 FFBDLO CC(C)c1ncc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000440476959 513328317 /nfs/dbraw/zinc/32/83/17/513328317.db2.gz HUINEBCZDQWHQO-ZDUSSCGKSA-N 1 2 357.414 2.967 20 5 FFBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+](C)C(C)(C)C(N)=O)cc1OC ZINC000451135175 513544350 /nfs/dbraw/zinc/54/43/50/513544350.db2.gz KYZFJUVIZHICIL-LBPRGKRZSA-N 1 2 367.446 2.724 20 5 FFBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+](C)C(C)(C)C(N)=O)cc1OC ZINC000451135175 513544353 /nfs/dbraw/zinc/54/43/53/513544353.db2.gz KYZFJUVIZHICIL-LBPRGKRZSA-N 1 2 367.446 2.724 20 5 FFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCSC[C@H]1CCO ZINC000425422305 513557101 /nfs/dbraw/zinc/55/71/01/513557101.db2.gz MUAAOBKJCLCWGT-GFCCVEGCSA-N 1 2 361.261 2.657 20 5 FFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCSC[C@H]1CCO ZINC000425422305 513557108 /nfs/dbraw/zinc/55/71/08/513557108.db2.gz MUAAOBKJCLCWGT-GFCCVEGCSA-N 1 2 361.261 2.657 20 5 FFBDLO C[N@@H+]1CCCC(C)(C)[C@@H]1CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000447812442 513578836 /nfs/dbraw/zinc/57/88/36/513578836.db2.gz MABBZKWSYMYHGY-NSHDSACASA-N 1 2 361.489 2.592 20 5 FFBDLO C[N@H+]1CCCC(C)(C)[C@@H]1CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000447812442 513578842 /nfs/dbraw/zinc/57/88/42/513578842.db2.gz MABBZKWSYMYHGY-NSHDSACASA-N 1 2 361.489 2.592 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000430220420 513591245 /nfs/dbraw/zinc/59/12/45/513591245.db2.gz PYVKHCJQMQUBSB-UHFFFAOYSA-N 1 2 358.320 2.988 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000430220420 513591253 /nfs/dbraw/zinc/59/12/53/513591253.db2.gz PYVKHCJQMQUBSB-UHFFFAOYSA-N 1 2 358.320 2.988 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000430234941 513595869 /nfs/dbraw/zinc/59/58/69/513595869.db2.gz CCJAZMDBNWJHMA-KRWDZBQOSA-N 1 2 373.384 2.980 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000430234941 513595873 /nfs/dbraw/zinc/59/58/73/513595873.db2.gz CCJAZMDBNWJHMA-KRWDZBQOSA-N 1 2 373.384 2.980 20 5 FFBDLO O=[N+]([O-])c1cccc(Cl)c1NCC1([NH+]2CCOCC2)CCOCC1 ZINC000413409384 513642619 /nfs/dbraw/zinc/64/26/19/513642619.db2.gz UKHRWQQCQFVYKT-UHFFFAOYSA-N 1 2 355.822 2.542 20 5 FFBDLO O=C(N[C@@H]1CCCC12CCOCC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451478203 513774234 /nfs/dbraw/zinc/77/42/34/513774234.db2.gz YRPWZFLDBCFKJV-QGZVFWFLSA-N 1 2 370.409 2.860 20 5 FFBDLO Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451552273 513827750 /nfs/dbraw/zinc/82/77/50/513827750.db2.gz WIIYUJDWMJZWHO-MRXNPFEDSA-N 1 2 371.441 2.763 20 5 FFBDLO Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451552273 513827757 /nfs/dbraw/zinc/82/77/57/513827757.db2.gz WIIYUJDWMJZWHO-MRXNPFEDSA-N 1 2 371.441 2.763 20 5 FFBDLO O=C(CCC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000448834366 513921980 /nfs/dbraw/zinc/92/19/80/513921980.db2.gz JBMWZNLCXGLSNT-UHFFFAOYSA-N 1 2 356.382 2.687 20 5 FFBDLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)s1 ZINC000414076532 513966355 /nfs/dbraw/zinc/96/63/55/513966355.db2.gz OXMNUVWTOKBQBC-SECBINFHSA-N 1 2 351.384 2.697 20 5 FFBDLO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C[N@@H+]1Cc1ccccc1 ZINC000436888763 514021565 /nfs/dbraw/zinc/02/15/65/514021565.db2.gz UBBPYDPWEDQYKG-ZFWWWQNUSA-N 1 2 355.394 2.693 20 5 FFBDLO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C[N@H+]1Cc1ccccc1 ZINC000436888763 514021572 /nfs/dbraw/zinc/02/15/72/514021572.db2.gz UBBPYDPWEDQYKG-ZFWWWQNUSA-N 1 2 355.394 2.693 20 5 FFBDLO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000436958349 514048868 /nfs/dbraw/zinc/04/88/68/514048868.db2.gz GWDXAMRIEBCKMD-ZBFHGGJFSA-N 1 2 369.421 2.941 20 5 FFBDLO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000436958349 514048875 /nfs/dbraw/zinc/04/88/75/514048875.db2.gz GWDXAMRIEBCKMD-ZBFHGGJFSA-N 1 2 369.421 2.941 20 5 FFBDLO O=C(NCc1[nH]cc[nH+]1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444010046 514098790 /nfs/dbraw/zinc/09/87/90/514098790.db2.gz DRYLRALKQAHISF-UHFFFAOYSA-N 1 2 354.316 2.613 20 5 FFBDLO Cc1ccc([C@@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)[NH+]2CCCC2)o1 ZINC000428021644 514376566 /nfs/dbraw/zinc/37/65/66/514376566.db2.gz GALRGUXUJUCXIW-MRXNPFEDSA-N 1 2 359.382 2.769 20 5 FFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC(O)(C(F)F)CC2)c1 ZINC000428462636 514480532 /nfs/dbraw/zinc/48/05/32/514480532.db2.gz LTCVNRTXUMTWTD-UHFFFAOYSA-N 1 2 352.284 2.788 20 5 FFBDLO CC(C)[C@H]1OCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450060464 514484295 /nfs/dbraw/zinc/48/42/95/514484295.db2.gz WGNCVHFWSNMFEI-MAUKXSAKSA-N 1 2 372.425 2.962 20 5 FFBDLO NC(=O)c1cccc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000439128001 514497615 /nfs/dbraw/zinc/49/76/15/514497615.db2.gz DYQUVQRHTZLHIG-UHFFFAOYSA-N 1 2 374.828 2.669 20 5 FFBDLO O=C(NC[C@@H]1CCCC1(F)F)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452825795 514508728 /nfs/dbraw/zinc/50/87/28/514508728.db2.gz PONAHFQGPFVHPA-LBPRGKRZSA-N 1 2 350.325 2.946 20 5 FFBDLO O=C(N[C@H](CCO)C1CCCCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450190258 514532400 /nfs/dbraw/zinc/53/24/00/514532400.db2.gz BMBCTOJXHIGUES-MRXNPFEDSA-N 1 2 372.425 2.842 20 5 FFBDLO Cc1ccc(NCCCNC(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)c([N+](=O)[O-])c1 ZINC000455468682 514541425 /nfs/dbraw/zinc/54/14/25/514541425.db2.gz IVTCTUWFCAOKNY-UKRRQHHQSA-N 1 2 372.429 2.907 20 5 FFBDLO Cc1noc(C)c1[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450205267 514541911 /nfs/dbraw/zinc/54/19/11/514541911.db2.gz YMURTBJLUZSRPU-NSHDSACASA-N 1 2 369.381 2.919 20 5 FFBDLO CC(C)[C@@H](O)C(C)(C)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450216357 514547681 /nfs/dbraw/zinc/54/76/81/514547681.db2.gz QAZFKSHEUXWDDB-MRXNPFEDSA-N 1 2 360.414 2.553 20 5 FFBDLO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H](CO)c1ccccc1 ZINC000479634347 514664449 /nfs/dbraw/zinc/66/44/49/514664449.db2.gz CXFYIUKGGZZKBO-MRXNPFEDSA-N 1 2 354.366 2.810 20 5 FFBDLO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H](CO)c1ccccc1 ZINC000479634347 514664459 /nfs/dbraw/zinc/66/44/59/514664459.db2.gz CXFYIUKGGZZKBO-MRXNPFEDSA-N 1 2 354.366 2.810 20 5 FFBDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000470942012 514684703 /nfs/dbraw/zinc/68/47/03/514684703.db2.gz AIYBFWVJSYFEOT-GWCFXTLKSA-N 1 2 366.361 2.641 20 5 FFBDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000470942012 514684710 /nfs/dbraw/zinc/68/47/10/514684710.db2.gz AIYBFWVJSYFEOT-GWCFXTLKSA-N 1 2 366.361 2.641 20 5 FFBDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000470960002 514694199 /nfs/dbraw/zinc/69/41/99/514694199.db2.gz NXQRJBPUKFQCCU-GWCFXTLKSA-N 1 2 357.332 2.757 20 5 FFBDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000470960002 514694207 /nfs/dbraw/zinc/69/42/07/514694207.db2.gz NXQRJBPUKFQCCU-GWCFXTLKSA-N 1 2 357.332 2.757 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1CN(CC[NH+]1CCOCC1)c1ccccc1 ZINC000471173263 514782140 /nfs/dbraw/zinc/78/21/40/514782140.db2.gz PRPYDVOKGZSQOE-UHFFFAOYSA-N 1 2 371.437 2.942 20 5 FFBDLO Nc1c(F)c(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000471248110 514812435 /nfs/dbraw/zinc/81/24/35/514812435.db2.gz CAXOYUVYXMQSSI-INIZCTEOSA-N 1 2 360.389 2.802 20 5 FFBDLO Cc1c(CNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cccc1[N+](=O)[O-] ZINC000480056923 514827547 /nfs/dbraw/zinc/82/75/47/514827547.db2.gz KDPGBARRCSOXOO-HNNXBMFYSA-N 1 2 371.441 2.801 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000503077568 514909459 /nfs/dbraw/zinc/90/94/59/514909459.db2.gz ZZKGGFRVCDNWEX-CJNGLKHVSA-N 1 2 357.414 2.621 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000503077568 514909468 /nfs/dbraw/zinc/90/94/68/514909468.db2.gz ZZKGGFRVCDNWEX-CJNGLKHVSA-N 1 2 357.414 2.621 20 5 FFBDLO CCOC(=O)C[C@H](C)Nc1cc(CC)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000471737081 514996265 /nfs/dbraw/zinc/99/62/65/514996265.db2.gz NHMAHESSPIFPJH-LBPRGKRZSA-N 1 2 358.398 2.790 20 5 FFBDLO Cc1ccn2cc(CNC(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)[nH+]c2c1 ZINC000485878720 515230992 /nfs/dbraw/zinc/23/09/92/515230992.db2.gz DHOCRTJHBJISBS-UHFFFAOYSA-N 1 2 360.320 2.688 20 5 FFBDLO O=C(NCCc1ccccc1[N+](=O)[O-])c1cccc(Cn2cc[nH+]c2)c1 ZINC000499252999 515256698 /nfs/dbraw/zinc/25/66/98/515256698.db2.gz QLZUFEFWPOOJEE-UHFFFAOYSA-N 1 2 350.378 2.812 20 5 FFBDLO Cc1ccc2[nH+]c(CNC(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)cn2c1 ZINC000485927642 515260373 /nfs/dbraw/zinc/26/03/73/515260373.db2.gz QTBITQSZTQODKL-UHFFFAOYSA-N 1 2 360.320 2.688 20 5 FFBDLO COc1ccc(-c2ccc(C[N@H+]3CC(=O)N(C)[C@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000504541554 515323888 /nfs/dbraw/zinc/32/38/88/515323888.db2.gz NAENUNMVPPXKPI-GFCCVEGCSA-N 1 2 359.382 2.526 20 5 FFBDLO COc1ccc(-c2ccc(C[N@@H+]3CC(=O)N(C)[C@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000504541554 515323897 /nfs/dbraw/zinc/32/38/97/515323897.db2.gz NAENUNMVPPXKPI-GFCCVEGCSA-N 1 2 359.382 2.526 20 5 FFBDLO CCOc1cc(N2CC[NH+](Cc3ccnc(OC)c3)CC2)ccc1[N+](=O)[O-] ZINC000481755568 515452990 /nfs/dbraw/zinc/45/29/90/515452990.db2.gz KNKWFQBLKVUSAA-UHFFFAOYSA-N 1 2 372.425 2.719 20 5 FFBDLO CN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000492604826 515549670 /nfs/dbraw/zinc/54/96/70/515549670.db2.gz YNXACVMIYSOFFF-SFHVURJKSA-N 1 2 365.393 2.978 20 5 FFBDLO CCOc1cc(C[N@@H+]2CCO[C@@H](COCC3CC3)C2)ccc1[N+](=O)[O-] ZINC000492876519 515572424 /nfs/dbraw/zinc/57/24/24/515572424.db2.gz WOGCQTPWFPKMBJ-MRXNPFEDSA-N 1 2 350.415 2.621 20 5 FFBDLO CCOc1cc(C[N@H+]2CCO[C@@H](COCC3CC3)C2)ccc1[N+](=O)[O-] ZINC000492876519 515572433 /nfs/dbraw/zinc/57/24/33/515572433.db2.gz WOGCQTPWFPKMBJ-MRXNPFEDSA-N 1 2 350.415 2.621 20 5 FFBDLO O=C(NCCOCC1CCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000457147021 515686528 /nfs/dbraw/zinc/68/65/28/515686528.db2.gz JMAOEYNXIQDCJM-UHFFFAOYSA-N 1 2 358.398 2.717 20 5 FFBDLO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000469222131 515728714 /nfs/dbraw/zinc/72/87/14/515728714.db2.gz ZDAATYKADFVFRV-SFHVURJKSA-N 1 2 355.394 2.867 20 5 FFBDLO CC(C)(C)c1nnc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)[nH]1 ZINC000459715600 515763676 /nfs/dbraw/zinc/76/36/76/515763676.db2.gz UWVFGMCQZYYZMO-UHFFFAOYSA-N 1 2 355.345 2.902 20 5 FFBDLO COc1cc(C(=O)Nc2nc(C[NH+](C)C)cs2)cc([N+](=O)[O-])c1C ZINC000457319421 515804828 /nfs/dbraw/zinc/80/48/28/515804828.db2.gz WMKUYUJHFZPQEH-UHFFFAOYSA-N 1 2 350.400 2.682 20 5 FFBDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000464686622 515923233 /nfs/dbraw/zinc/92/32/33/515923233.db2.gz BRWSRHGZEBHMCP-CABCVRRESA-N 1 2 367.421 2.964 20 5 FFBDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000464686622 515923244 /nfs/dbraw/zinc/92/32/44/515923244.db2.gz BRWSRHGZEBHMCP-CABCVRRESA-N 1 2 367.421 2.964 20 5 FFBDLO COc1ccc(CS(=O)(=O)Cc2ccc(C)[nH+]c2C)cc1[N+](=O)[O-] ZINC000478719024 515939823 /nfs/dbraw/zinc/93/98/23/515939823.db2.gz PETOWGRFPMGNSB-UHFFFAOYSA-N 1 2 350.396 2.730 20 5 FFBDLO Cc1nc(C2([NH2+]CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CCCC2)no1 ZINC000506719112 515962143 /nfs/dbraw/zinc/96/21/43/515962143.db2.gz OYQAMAQWZDWAPJ-UHFFFAOYSA-N 1 2 359.386 2.674 20 5 FFBDLO O=C(C[N@@H+]1CCC[C@@H]2COCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000464856109 515992977 /nfs/dbraw/zinc/99/29/77/515992977.db2.gz RKVIXMNJKLTYKT-IAQYHMDHSA-N 1 2 353.806 2.688 20 5 FFBDLO O=C(C[N@H+]1CCC[C@@H]2COCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000464856109 515992983 /nfs/dbraw/zinc/99/29/83/515992983.db2.gz RKVIXMNJKLTYKT-IAQYHMDHSA-N 1 2 353.806 2.688 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000501275113 516039303 /nfs/dbraw/zinc/03/93/03/516039303.db2.gz WTDLHABRORKLKX-UHFFFAOYSA-N 1 2 370.409 2.919 20 5 FFBDLO Cc1c(Br)cc(C(=O)N(C)Cc2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000511855726 516055969 /nfs/dbraw/zinc/05/59/69/516055969.db2.gz ZYOKNWLPXLCIDP-UHFFFAOYSA-N 1 2 353.176 2.661 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000479127091 516067769 /nfs/dbraw/zinc/06/77/69/516067769.db2.gz ZDIMPPMPBNZDGH-HNNXBMFYSA-N 1 2 355.394 2.859 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000479127091 516067778 /nfs/dbraw/zinc/06/77/78/516067778.db2.gz ZDIMPPMPBNZDGH-HNNXBMFYSA-N 1 2 355.394 2.859 20 5 FFBDLO Cc1cc(C)cc(OC[C@@H](O)C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000470033307 516087631 /nfs/dbraw/zinc/08/76/31/516087631.db2.gz NFLCVQKQMUBREF-KRWDZBQOSA-N 1 2 372.421 2.715 20 5 FFBDLO CCc1cc(NC[C@H](C)Cn2cccn2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000507114813 516095162 /nfs/dbraw/zinc/09/51/62/516095162.db2.gz ABACDXFICBNXQS-AWEZNQCLSA-N 1 2 366.425 2.981 20 5 FFBDLO CCc1nc(CN2CC[NH+](C/C(C)=C/c3cccc([N+](=O)[O-])c3)CC2)no1 ZINC000470173703 516160293 /nfs/dbraw/zinc/16/02/93/516160293.db2.gz MOWSBDNPYZHKAJ-RVDMUPIBSA-N 1 2 371.441 2.761 20 5 FFBDLO CCc1c[nH+]ccc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000465462501 516161407 /nfs/dbraw/zinc/16/14/07/516161407.db2.gz CYXQERJJQRCTFE-UHFFFAOYSA-N 1 2 350.172 2.989 20 5 FFBDLO CC[C@@H]1C[N@H+](CCNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000470444015 516249046 /nfs/dbraw/zinc/24/90/46/516249046.db2.gz MQSFGYQTOCDDFT-OAHLLOKOSA-N 1 2 363.458 2.733 20 5 FFBDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000470444015 516249049 /nfs/dbraw/zinc/24/90/49/516249049.db2.gz MQSFGYQTOCDDFT-OAHLLOKOSA-N 1 2 363.458 2.733 20 5 FFBDLO CC[C@@H](C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H](CC)C1 ZINC000561348634 516534330 /nfs/dbraw/zinc/53/43/30/516534330.db2.gz PPFOOAHKCSELMI-HOCLYGCPSA-N 1 2 363.458 2.836 20 5 FFBDLO CC[C@@H](C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H](CC)C1 ZINC000561348634 516534341 /nfs/dbraw/zinc/53/43/41/516534341.db2.gz PPFOOAHKCSELMI-HOCLYGCPSA-N 1 2 363.458 2.836 20 5 FFBDLO CCN(Cc1ccncc1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000524454225 516725670 /nfs/dbraw/zinc/72/56/70/516725670.db2.gz ZOXDEYUCFKCHLT-UHFFFAOYSA-N 1 2 351.366 2.838 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC2CC[NH+](CC(F)F)CC2)c1 ZINC000558416148 516730133 /nfs/dbraw/zinc/73/01/33/516730133.db2.gz KLBBRVKMOSMWEZ-UHFFFAOYSA-N 1 2 371.384 2.700 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2cn3ccc(C)cc3[nH+]2)c1 ZINC000555078651 516770337 /nfs/dbraw/zinc/77/03/37/516770337.db2.gz NEMKPRUXCAZBMV-UHFFFAOYSA-N 1 2 354.366 2.880 20 5 FFBDLO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[NH+](Cc2ccco2)CC1 ZINC000536509639 516796517 /nfs/dbraw/zinc/79/65/17/516796517.db2.gz ZGUJAODDOXFQHY-UHFFFAOYSA-N 1 2 354.366 2.627 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]Cc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000514086884 516856363 /nfs/dbraw/zinc/85/63/63/516856363.db2.gz DKWYRSLNFSUYTO-GOSISDBHSA-N 1 2 366.377 2.936 20 5 FFBDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)O1 ZINC000558740395 516921541 /nfs/dbraw/zinc/92/15/41/516921541.db2.gz IEEAFBPZFRLHBL-UGGSBELWSA-N 1 2 368.817 2.932 20 5 FFBDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)O1 ZINC000558740395 516921553 /nfs/dbraw/zinc/92/15/53/516921553.db2.gz IEEAFBPZFRLHBL-UGGSBELWSA-N 1 2 368.817 2.932 20 5 FFBDLO COc1cc2c(cc1OC)CC[NH+](Cc1cc(O)ccc1[N+](=O)[O-])CC2 ZINC000559049413 517058141 /nfs/dbraw/zinc/05/81/41/517058141.db2.gz NLXKXDQKGKGRTC-UHFFFAOYSA-N 1 2 358.394 2.918 20 5 FFBDLO COC(=O)c1cccc(OCC[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000514820537 517071830 /nfs/dbraw/zinc/07/18/30/517071830.db2.gz SKEILCXWDFBNCK-UHFFFAOYSA-N 1 2 372.377 2.655 20 5 FFBDLO COC(=O)c1cccc(OCC[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000514820537 517071839 /nfs/dbraw/zinc/07/18/39/517071839.db2.gz SKEILCXWDFBNCK-UHFFFAOYSA-N 1 2 372.377 2.655 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC(n3cc[nH+]c3)C2)nc1OCc1ccccc1 ZINC000545196599 517097851 /nfs/dbraw/zinc/09/78/51/517097851.db2.gz LHGUGDBYOQTNFB-UHFFFAOYSA-N 1 2 351.366 2.827 20 5 FFBDLO CCOc1cccc(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000552140949 517104935 /nfs/dbraw/zinc/10/49/35/517104935.db2.gz GIYVFEOSAAGNFE-UHFFFAOYSA-N 1 2 369.421 2.952 20 5 FFBDLO Cc1ccc(CCNc2ncc([N+](=O)[O-])c(C)c2Br)c[nH+]1 ZINC000541577117 517121112 /nfs/dbraw/zinc/12/11/12/517121112.db2.gz HQPDVKROKXAQGN-UHFFFAOYSA-N 1 2 351.204 2.841 20 5 FFBDLO CN(CC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000552247201 517160691 /nfs/dbraw/zinc/16/06/91/517160691.db2.gz FLQJNBNCEXVVKL-AWEZNQCLSA-N 1 2 371.363 2.501 20 5 FFBDLO Cc1cc(C)cc(NC(=O)C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000532921806 517204349 /nfs/dbraw/zinc/20/43/49/517204349.db2.gz NQKGXOZCVPNBHZ-UHFFFAOYSA-N 1 2 368.437 2.972 20 5 FFBDLO C[N@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@H]1CCNC1=O ZINC000537693032 517300130 /nfs/dbraw/zinc/30/01/30/517300130.db2.gz QLOQKKZDGRBKAA-HNNXBMFYSA-N 1 2 359.357 2.847 20 5 FFBDLO C[N@@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@H]1CCNC1=O ZINC000537693032 517300141 /nfs/dbraw/zinc/30/01/41/517300141.db2.gz QLOQKKZDGRBKAA-HNNXBMFYSA-N 1 2 359.357 2.847 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@@H](CO)c3cccc(F)c3)o2)cc1 ZINC000541948679 517305167 /nfs/dbraw/zinc/30/51/67/517305167.db2.gz MZQZUZLKGMQJPL-HNNXBMFYSA-N 1 2 358.329 2.607 20 5 FFBDLO Cc1cc(S(=O)(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)ccc1[N+](=O)[O-] ZINC000542139358 517403126 /nfs/dbraw/zinc/40/31/26/517403126.db2.gz COGNMPMEGPYAHH-UHFFFAOYSA-N 1 2 372.406 2.772 20 5 FFBDLO Cn1cc[nH+]c1[C@H](N[C@@H](CCO)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000562854677 517458663 /nfs/dbraw/zinc/45/86/63/517458663.db2.gz HQNORUBCUPDXTA-DOTOQJQBSA-N 1 2 356.382 2.724 20 5 FFBDLO COc1ccc(CNc2cc(OC)c(Br)c[nH+]2)cc1[N+](=O)[O-] ZINC000538454815 517626364 /nfs/dbraw/zinc/62/63/64/517626364.db2.gz QDUUQPIUFLMIQT-UHFFFAOYSA-N 1 2 368.187 2.804 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000542743766 517712907 /nfs/dbraw/zinc/71/29/07/517712907.db2.gz HSMPQOFQJHEMQO-ZDUSSCGKSA-N 1 2 364.427 2.503 20 5 FFBDLO C[C@@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000543031007 517874151 /nfs/dbraw/zinc/87/41/51/517874151.db2.gz VDPOCBLHMZPBRS-MNOVXSKESA-N 1 2 361.489 2.735 20 5 FFBDLO C[C@@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000543031007 517874159 /nfs/dbraw/zinc/87/41/59/517874159.db2.gz VDPOCBLHMZPBRS-MNOVXSKESA-N 1 2 361.489 2.735 20 5 FFBDLO Cc1ccn2cc(CNC(=O)CCOc3cc(C)ccc3[N+](=O)[O-])[nH+]c2c1 ZINC000539501538 518079825 /nfs/dbraw/zinc/07/98/25/518079825.db2.gz RBKHBCOGENHRGX-UHFFFAOYSA-N 1 2 368.393 2.945 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000557571519 518081870 /nfs/dbraw/zinc/08/18/70/518081870.db2.gz YJIHZDPCQMZSDE-UHFFFAOYSA-N 1 2 360.389 2.850 20 5 FFBDLO Cc1nn(CCC(=O)Nc2ccccc2-n2cc[nH+]c2)c(C)c1[N+](=O)[O-] ZINC000522530851 518121274 /nfs/dbraw/zinc/12/12/74/518121274.db2.gz YFLDQQSYLCGSMU-UHFFFAOYSA-N 1 2 354.370 2.623 20 5 FFBDLO Cc1ccccc1[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000582274526 518671599 /nfs/dbraw/zinc/67/15/99/518671599.db2.gz WHGSUUJEUFYTSY-XLIONFOSSA-N 1 2 372.421 2.716 20 5 FFBDLO Cc1ccccc1[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000582274526 518671603 /nfs/dbraw/zinc/67/16/03/518671603.db2.gz WHGSUUJEUFYTSY-XLIONFOSSA-N 1 2 372.421 2.716 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[C@@H](c2cccnc2)C1 ZINC000568387522 519016434 /nfs/dbraw/zinc/01/64/34/519016434.db2.gz HFKWWVNZNWHKJX-GOSISDBHSA-N 1 2 368.437 2.816 20 5 FFBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC3(CCC3)[C@@H]1[C@@H]1CCCO1)OCCO2 ZINC000589521202 519023987 /nfs/dbraw/zinc/02/39/87/519023987.db2.gz JWCIETNCYCOTHX-YJBOKZPZSA-N 1 2 360.410 2.900 20 5 FFBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC3(CCC3)[C@@H]1[C@@H]1CCCO1)OCCO2 ZINC000589521202 519023993 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370.409 2.735 20 5 FFBDLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000597295494 519939761 /nfs/dbraw/zinc/93/97/61/519939761.db2.gz CAYXIXXTCMQADF-SUMWQHHRSA-N 1 2 358.423 2.628 20 5 FFBDLO O=C(C[NH2+][C@H](CF)c1ccc(F)cc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000603018689 520025768 /nfs/dbraw/zinc/02/57/68/520025768.db2.gz KXVJFFVMUGANIW-MRXNPFEDSA-N 1 2 361.348 2.923 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000597666048 520165199 /nfs/dbraw/zinc/16/51/99/520165199.db2.gz HZMIEEAZDGXQMH-UHFFFAOYSA-N 1 2 370.409 2.691 20 5 FFBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000609050912 520182153 /nfs/dbraw/zinc/18/21/53/520182153.db2.gz WEYIHZGZHCBUDJ-UHFFFAOYSA-N 1 2 371.319 2.695 20 5 FFBDLO COc1cc(C[NH2+]Cc2cccnc2N2CCCC2)c([N+](=O)[O-])cc1O ZINC000594957047 520230351 /nfs/dbraw/zinc/23/03/51/520230351.db2.gz LZHUUTHMBRONPH-UHFFFAOYSA-N 1 2 358.398 2.594 20 5 FFBDLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000603811246 520362837 /nfs/dbraw/zinc/36/28/37/520362837.db2.gz PTTQDDHFRAYMPI-UHFFFAOYSA-N 1 2 352.306 2.762 20 5 FFBDLO C[C@H]1COC2(CCC2)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000598046356 520395383 /nfs/dbraw/zinc/39/53/83/520395383.db2.gz CCGPGFDBOWHLKT-ZDUSSCGKSA-N 1 2 356.382 2.564 20 5 FFBDLO COc1cccc([C@H](C)[NH+]2CCN(Cc3onc(C)c3[N+](=O)[O-])CC2)c1 ZINC000595305180 520398591 /nfs/dbraw/zinc/39/85/91/520398591.db2.gz XZJDQZKWVXTWFE-AWEZNQCLSA-N 1 2 360.414 2.779 20 5 FFBDLO C[C@@H]1COC2(CCC2)CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000598054018 520400944 /nfs/dbraw/zinc/40/09/44/520400944.db2.gz KQSQISBZANYNOM-CYBMUJFWSA-N 1 2 356.382 2.564 20 5 FFBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000613230770 520401241 /nfs/dbraw/zinc/40/12/41/520401241.db2.gz FOJQQQQXDJFEJH-HNNXBMFYSA-N 1 2 355.394 2.848 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000595432811 520467762 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DELLLFYMJXXHGO-UOXLDJKESA-N 1 2 360.439 2.571 20 5 FFBDLO C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC2(CCCC2)O1 ZINC000592734591 520550226 /nfs/dbraw/zinc/55/02/26/520550226.db2.gz LBIJXSBJPUKNCS-CQSZACIVSA-N 1 2 370.409 2.954 20 5 FFBDLO C[C@H](C(=O)NCCNc1ccc2ccccc2[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000617736421 520689867 /nfs/dbraw/zinc/68/98/67/520689867.db2.gz SUEZYMZCPMJZDC-AWEZNQCLSA-N 1 2 364.405 2.897 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000595748625 520695128 /nfs/dbraw/zinc/69/51/28/520695128.db2.gz BLOWZGPUGGFJTH-PIGZYNQJSA-N 1 2 367.833 2.812 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000595748625 520695138 /nfs/dbraw/zinc/69/51/38/520695138.db2.gz BLOWZGPUGGFJTH-PIGZYNQJSA-N 1 2 367.833 2.812 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](OC(C)C)C1 ZINC000593056002 520713421 /nfs/dbraw/zinc/71/34/21/520713421.db2.gz WZTUJVDCCWEZBB-HIFRSBDPSA-N 1 2 365.430 2.820 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](OC(C)C)C1 ZINC000593056002 520713426 /nfs/dbraw/zinc/71/34/26/520713426.db2.gz WZTUJVDCCWEZBB-HIFRSBDPSA-N 1 2 365.430 2.820 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(c2ccon2)CC1 ZINC000595828811 520752963 /nfs/dbraw/zinc/75/29/63/520752963.db2.gz MZPNOVMJWZXSOV-GFCCVEGCSA-N 1 2 374.397 2.798 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+](C)CC2=CCSC2)c([N+](=O)[O-])c1 ZINC000595890198 520796658 /nfs/dbraw/zinc/79/66/58/520796658.db2.gz ZRFIFIVYEXOFIU-UHFFFAOYSA-N 1 2 351.428 2.537 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+](C)CC2=CCSC2)c([N+](=O)[O-])c1 ZINC000595890198 520796668 /nfs/dbraw/zinc/79/66/68/520796668.db2.gz ZRFIFIVYEXOFIU-UHFFFAOYSA-N 1 2 351.428 2.537 20 5 FFBDLO CC(C)(C)c1nnc(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)s1 ZINC000610717289 520812254 /nfs/dbraw/zinc/81/22/54/520812254.db2.gz ZUKDQZSLRATZBX-UHFFFAOYSA-N 1 2 364.427 2.805 20 5 FFBDLO CC(C)c1n[nH]c(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)c1[N+](=O)[O-] ZINC000610917175 520904351 /nfs/dbraw/zinc/90/43/51/520904351.db2.gz URWQHIFWOXCVDI-AWEZNQCLSA-N 1 2 368.397 2.694 20 5 FFBDLO Cc1sc(C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)cc1[N+](=O)[O-] ZINC000601726731 520921815 /nfs/dbraw/zinc/92/18/15/520921815.db2.gz FTZBZNSBDXKDIS-UHFFFAOYSA-N 1 2 361.423 2.628 20 5 FFBDLO COc1ccc(OCC[N@@H+]2CCc3nc(C(C)C)ncc3C2)c([N+](=O)[O-])c1 ZINC000598937745 520931025 /nfs/dbraw/zinc/93/10/25/520931025.db2.gz RGIXDQPWWONQJO-UHFFFAOYSA-N 1 2 372.425 2.954 20 5 FFBDLO COc1ccc(OCC[N@H+]2CCc3nc(C(C)C)ncc3C2)c([N+](=O)[O-])c1 ZINC000598937745 520931032 /nfs/dbraw/zinc/93/10/32/520931032.db2.gz RGIXDQPWWONQJO-UHFFFAOYSA-N 1 2 372.425 2.954 20 5 FFBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000596247136 520992591 /nfs/dbraw/zinc/99/25/91/520992591.db2.gz LCQWIPDNGGZNPW-ZDUSSCGKSA-N 1 2 359.348 2.915 20 5 FFBDLO Cc1cc(C[NH+]2CCN(c3ccnc4cc([N+](=O)[O-])ccc43)CC2)no1 ZINC000593454979 521003547 /nfs/dbraw/zinc/00/35/47/521003547.db2.gz PBXHHRXZXCICJY-UHFFFAOYSA-N 1 2 353.382 2.762 20 5 FFBDLO O=C(NCC(F)(F)F)[C@@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599072057 521014314 /nfs/dbraw/zinc/01/43/14/521014314.db2.gz XEOTVSOGMWDAQZ-LLVKDONJSA-N 1 2 368.315 2.648 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCO[C@@H](C(F)F)CC3)o2)cc1 ZINC000601973919 521050128 /nfs/dbraw/zinc/05/01/28/521050128.db2.gz DVDQVMSYRJUXSV-GFCCVEGCSA-N 1 2 354.313 2.501 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCO[C@@H](C(F)F)CC3)o2)cc1 ZINC000601973919 521050132 /nfs/dbraw/zinc/05/01/32/521050132.db2.gz DVDQVMSYRJUXSV-GFCCVEGCSA-N 1 2 354.313 2.501 20 5 FFBDLO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)c(Cl)c1 ZINC000599184331 521077977 /nfs/dbraw/zinc/07/79/77/521077977.db2.gz ZZZDTWQDCOATLS-OAHLLOKOSA-N 1 2 362.817 2.956 20 5 FFBDLO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)c(Cl)c1 ZINC000599184331 521077985 /nfs/dbraw/zinc/07/79/85/521077985.db2.gz ZZZDTWQDCOATLS-OAHLLOKOSA-N 1 2 362.817 2.956 20 5 FFBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593655735 521135321 /nfs/dbraw/zinc/13/53/21/521135321.db2.gz ZHBDMHCFOLBSLQ-UHFFFAOYSA-N 1 2 362.405 2.974 20 5 FFBDLO CC[C@@H]1C[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)[C@@H](CC)CO1 ZINC000593661145 521137194 /nfs/dbraw/zinc/13/71/94/521137194.db2.gz JSGKARDXDXQTNG-LSDHHAIUSA-N 1 2 366.414 2.536 20 5 FFBDLO CC[C@@H]1C[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)[C@@H](CC)CO1 ZINC000593661145 521137199 /nfs/dbraw/zinc/13/71/99/521137199.db2.gz JSGKARDXDXQTNG-LSDHHAIUSA-N 1 2 366.414 2.536 20 5 FFBDLO CN(C)c1nc(CN[C@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000611560745 521218962 /nfs/dbraw/zinc/21/89/62/521218962.db2.gz LOJZQYRJXZDVMG-HNNXBMFYSA-N 1 2 372.454 2.730 20 5 FFBDLO CCOc1cc(C[N@H+](C)Cc2ccc(C(=O)OC)cn2)ccc1[N+](=O)[O-] ZINC000599449514 521233924 /nfs/dbraw/zinc/23/39/24/521233924.db2.gz UDSFSHZUXGQEOP-UHFFFAOYSA-N 1 2 359.382 2.807 20 5 FFBDLO CCOc1cc(C[N@@H+](C)Cc2ccc(C(=O)OC)cn2)ccc1[N+](=O)[O-] ZINC000599449514 521233930 /nfs/dbraw/zinc/23/39/30/521233930.db2.gz UDSFSHZUXGQEOP-UHFFFAOYSA-N 1 2 359.382 2.807 20 5 FFBDLO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)cc1[N+](=O)[O-] ZINC000611891491 521382739 /nfs/dbraw/zinc/38/27/39/521382739.db2.gz ZQUFOFLCUKWCMG-HNNXBMFYSA-N 1 2 356.382 2.602 20 5 FFBDLO COc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)cc1[N+](=O)[O-] ZINC000611891491 521382749 /nfs/dbraw/zinc/38/27/49/521382749.db2.gz ZQUFOFLCUKWCMG-HNNXBMFYSA-N 1 2 356.382 2.602 20 5 FFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000599682852 521396151 /nfs/dbraw/zinc/39/61/51/521396151.db2.gz LVKHFOAYZJJWIP-CYBMUJFWSA-N 1 2 371.393 2.998 20 5 FFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000599682852 521396160 /nfs/dbraw/zinc/39/61/60/521396160.db2.gz LVKHFOAYZJJWIP-CYBMUJFWSA-N 1 2 371.393 2.998 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCC1(c2ccccn2)CC1 ZINC000619154679 521422200 /nfs/dbraw/zinc/42/22/00/521422200.db2.gz KPEUAMONYNVLHT-UHFFFAOYSA-N 1 2 368.437 2.966 20 5 FFBDLO COC[C@H](CC(C)(C)C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000594141078 521430995 /nfs/dbraw/zinc/43/09/95/521430995.db2.gz UOEAOOIIAFZUBP-AWEZNQCLSA-N 1 2 360.414 2.962 20 5 FFBDLO Cc1cn2ccc(NC(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)cc2[nH+]1 ZINC000597127555 521525895 /nfs/dbraw/zinc/52/58/95/521525895.db2.gz INYOVVSQWFDMLE-UHFFFAOYSA-N 1 2 369.385 2.616 20 5 FFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCc2sc(Br)cc2C1 ZINC000602797561 521537346 /nfs/dbraw/zinc/53/73/46/521537346.db2.gz MYKQJSFFQIZKFK-UHFFFAOYSA-N 1 2 371.260 2.982 20 5 FFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCc2sc(Br)cc2C1 ZINC000602797561 521537352 /nfs/dbraw/zinc/53/73/52/521537352.db2.gz MYKQJSFFQIZKFK-UHFFFAOYSA-N 1 2 371.260 2.982 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000615992201 521595843 /nfs/dbraw/zinc/59/58/43/521595843.db2.gz PKPXPHLOJHRRRX-MRXNPFEDSA-N 1 2 371.441 2.534 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC000821426298 599456177 /nfs/dbraw/zinc/45/61/77/599456177.db2.gz BRCWLPOZWUDHEF-UHFFFAOYSA-N 1 2 372.360 2.603 20 5 FFBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)c1 ZINC000823640137 599457657 /nfs/dbraw/zinc/45/76/57/599457657.db2.gz UYSAUQUDPVQZFF-UHFFFAOYSA-N 1 2 362.752 2.857 20 5 FFBDLO O=[N+]([O-])c1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)cc1-c1nn[nH]n1 ZINC000826499191 607842469 /nfs/dbraw/zinc/84/24/69/607842469.db2.gz ZIPONMPXUJNUGU-UHFFFAOYSA-N 1 2 362.353 2.573 20 5 FFBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898484626 735366947 /nfs/dbraw/zinc/36/69/47/735366947.db2.gz VLRKCVVBBUZFIQ-CHWSQXEVSA-N 1 2 355.435 2.626 20 5 FFBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898484626 735366952 /nfs/dbraw/zinc/36/69/52/735366952.db2.gz VLRKCVVBBUZFIQ-CHWSQXEVSA-N 1 2 355.435 2.626 20 5 FFBDLO O=C(N[C@H]1CCC[N@H+](CCF)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000898503485 735371731 /nfs/dbraw/zinc/37/17/31/735371731.db2.gz MDXFTJUZEUHVDE-JTQLQIEISA-N 1 2 363.311 2.777 20 5 FFBDLO O=C(N[C@H]1CCC[N@@H+](CCF)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000898503485 735371734 /nfs/dbraw/zinc/37/17/34/735371734.db2.gz MDXFTJUZEUHVDE-JTQLQIEISA-N 1 2 363.311 2.777 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC000055957137 728099185 /nfs/dbraw/zinc/09/91/85/728099185.db2.gz LYWKQTFDLPHLDH-UHFFFAOYSA-N 1 2 359.363 2.857 20 5 FFBDLO O=[N+]([O-])c1ccc(CS(=O)(=O)Oc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000097205844 728482393 /nfs/dbraw/zinc/48/23/93/728482393.db2.gz MUCSNKPHXPJMQC-UHFFFAOYSA-N 1 2 359.363 2.689 20 5 FFBDLO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000175889855 729103560 /nfs/dbraw/zinc/10/35/60/729103560.db2.gz OALICBVIMTYOOY-CYBMUJFWSA-N 1 2 367.833 2.575 20 5 FFBDLO O=C(NOCCCC(F)(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000871212427 731607175 /nfs/dbraw/zinc/60/71/75/731607175.db2.gz UKOGAJOELCKGJV-UHFFFAOYSA-N 1 2 358.276 2.784 20 5 FFBDLO C[C@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872051056 731723922 /nfs/dbraw/zinc/72/39/22/731723922.db2.gz FGUKZXONAWTTEF-ONGXEEELSA-N 1 2 363.311 2.938 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000886399407 733782701 /nfs/dbraw/zinc/78/27/01/733782701.db2.gz ULUCTFKIIXMQRB-UHFFFAOYSA-N 1 2 361.423 2.692 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000886399407 733782703 /nfs/dbraw/zinc/78/27/03/733782703.db2.gz ULUCTFKIIXMQRB-UHFFFAOYSA-N 1 2 361.423 2.692 20 5 FFBDLO C[C@@H](C(=O)NCc1nc(C[NH+](C)C)cs1)c1ccc([N+](=O)[O-])cc1F ZINC000927768396 738780883 /nfs/dbraw/zinc/78/08/83/738780883.db2.gz KTFVDILCAMGFJP-SNVBAGLBSA-N 1 2 366.418 2.672 20 5 FFBDLO O=C(OCCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1Br ZINC000783765942 738834065 /nfs/dbraw/zinc/83/40/65/738834065.db2.gz UUDFWKNTBJTCGZ-UHFFFAOYSA-N 1 2 354.160 2.801 20 5 FFBDLO O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc3[nH+]ccn3c2)ccc1Cl ZINC000739384489 735050842 /nfs/dbraw/zinc/05/08/42/735050842.db2.gz HHIYMAHUGNPUIY-UHFFFAOYSA-N 1 2 352.759 2.697 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@@H]2CC2(Cl)Cl)CC1 ZINC000749336390 735715014 /nfs/dbraw/zinc/71/50/14/735715014.db2.gz QDJBPXAHALAVSO-LBPRGKRZSA-N 1 2 358.225 2.546 20 5 FFBDLO COc1cc([C@H](C)[NH2+]Cc2cn(C)nc2Br)cc([N+](=O)[O-])c1 ZINC000903218654 736057392 /nfs/dbraw/zinc/05/73/92/736057392.db2.gz CLLBUSKIEXNINU-VIFPVBQESA-N 1 2 369.219 2.950 20 5 FFBDLO CCc1ccc([C@@H]([NH2+]CC[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000905135349 736301127 /nfs/dbraw/zinc/30/11/27/736301127.db2.gz NLRSYDWYEVAGDX-GOSISDBHSA-N 1 2 362.451 2.608 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000935090261 739893403 /nfs/dbraw/zinc/89/34/03/739893403.db2.gz OPHPEWVZSVPNJA-LBPRGKRZSA-N 1 2 362.817 2.930 20 5 FFBDLO O=C(OCCCn1cc[nH+]c1)c1sc(Br)cc1[N+](=O)[O-] ZINC000785031102 738933676 /nfs/dbraw/zinc/93/36/76/738933676.db2.gz GWBXJBGTTXUWRM-UHFFFAOYSA-N 1 2 360.189 2.862 20 5 FFBDLO Cc1c(C[N@@H+](C)[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cnn1C ZINC000790445904 739455024 /nfs/dbraw/zinc/45/50/24/739455024.db2.gz WSSOXYUTYRTUPR-NSHDSACASA-N 1 2 365.821 2.749 20 5 FFBDLO Cc1c(C[N@H+](C)[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cnn1C ZINC000790445904 739455028 /nfs/dbraw/zinc/45/50/28/739455028.db2.gz WSSOXYUTYRTUPR-NSHDSACASA-N 1 2 365.821 2.749 20 5 FFBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCCc1c[nH+]cn1C ZINC000793250942 739757933 /nfs/dbraw/zinc/75/79/33/739757933.db2.gz RKLPKUPJQRESPC-UHFFFAOYSA-N 1 2 368.187 2.799 20 5 FFBDLO O=C(NCC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000799172229 740396587 /nfs/dbraw/zinc/39/65/87/740396587.db2.gz FSTKMPXUFRUICX-UHFFFAOYSA-N 1 2 363.311 2.624 20 5 FFBDLO O=[N+]([O-])c1cc2c(cc1C[NH2+]Cc1cc(F)cnc1Cl)OCCO2 ZINC000824537682 743100799 /nfs/dbraw/zinc/10/07/99/743100799.db2.gz GVIXGFOAUWYYPN-UHFFFAOYSA-N 1 2 353.737 2.843 20 5 FFBDLO CO[C@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1(C)C ZINC000831543902 745544790 /nfs/dbraw/zinc/54/47/90/745544790.db2.gz QHTPEISFBIVJTP-AWEZNQCLSA-N 1 2 355.822 2.934 20 5 FFBDLO CO[C@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1(C)C ZINC000831543902 745544794 /nfs/dbraw/zinc/54/47/94/745544794.db2.gz QHTPEISFBIVJTP-AWEZNQCLSA-N 1 2 355.822 2.934 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)cc1Cl ZINC000836785546 746305517 /nfs/dbraw/zinc/30/55/17/746305517.db2.gz QHOVWJLWXAPVKB-UHFFFAOYSA-N 1 2 369.849 2.739 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)cc1Cl ZINC000836785546 746305523 /nfs/dbraw/zinc/30/55/23/746305523.db2.gz QHOVWJLWXAPVKB-UHFFFAOYSA-N 1 2 369.849 2.739 20 5 FFBDLO COCC[N@H+](Cc1c(C)nn(C)c1C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000839126291 746781693 /nfs/dbraw/zinc/78/16/93/746781693.db2.gz UVXZNFYFAGKSIK-UHFFFAOYSA-N 1 2 350.394 2.733 20 5 FFBDLO COCC[N@@H+](Cc1c(C)nn(C)c1C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000839126291 746781695 /nfs/dbraw/zinc/78/16/95/746781695.db2.gz UVXZNFYFAGKSIK-UHFFFAOYSA-N 1 2 350.394 2.733 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@]3(CC3(F)F)C2)c([N+](=O)[O-])c1 ZINC000844439585 748031050 /nfs/dbraw/zinc/03/10/50/748031050.db2.gz OVZZOQQLRXDOOC-HNNXBMFYSA-N 1 2 355.341 2.663 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@]3(CC3(F)F)C2)c([N+](=O)[O-])c1 ZINC000844439585 748031056 /nfs/dbraw/zinc/03/10/56/748031056.db2.gz OVZZOQQLRXDOOC-HNNXBMFYSA-N 1 2 355.341 2.663 20 5 FFBDLO Cc1cc(CNC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)cc(C)[nH+]1 ZINC000848593508 748969845 /nfs/dbraw/zinc/96/98/45/748969845.db2.gz KXFPNBPFSLSPQP-UHFFFAOYSA-N 1 2 351.309 2.895 20 5 FFBDLO COCC[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@H](O)C(F)(F)F ZINC000848922862 749035628 /nfs/dbraw/zinc/03/56/28/749035628.db2.gz ZYBZTIHYFBVQOI-LBPRGKRZSA-N 1 2 356.728 2.620 20 5 FFBDLO COCC[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@H](O)C(F)(F)F ZINC000848922862 749035635 /nfs/dbraw/zinc/03/56/35/749035635.db2.gz ZYBZTIHYFBVQOI-LBPRGKRZSA-N 1 2 356.728 2.620 20 5 FFBDLO CC(C)OC(=O)C1CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000895829887 970994604 /nfs/dbraw/zinc/99/46/04/970994604.db2.gz XAPIXLRDQHPXHU-UHFFFAOYSA-N 1 2 364.398 2.530 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC001167100159 960046222 /nfs/dbraw/zinc/04/62/22/960046222.db2.gz FSRNWZOAXXXKRJ-AWEZNQCLSA-N 1 2 355.398 2.511 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC001167100159 960046225 /nfs/dbraw/zinc/04/62/25/960046225.db2.gz FSRNWZOAXXXKRJ-AWEZNQCLSA-N 1 2 355.398 2.511 20 5 FFBDLO O=C(NC[C@@H]1C[C@H]1C1CCOCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000825617674 1013239416 /nfs/dbraw/zinc/23/94/16/1013239416.db2.gz GJPWIPUILGDKBJ-HOTGVXAUSA-N 1 2 370.409 2.573 20 5 FFBDLO COC(=O)[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H]([C@@H]2CCCO2)C1 ZINC000933179568 963674708 /nfs/dbraw/zinc/67/47/08/963674708.db2.gz JKRIINARYPVBHB-DQYPLSBCSA-N 1 2 366.389 2.667 20 5 FFBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H]([C@@H]2CCCO2)C1 ZINC000933179568 963674715 /nfs/dbraw/zinc/67/47/15/963674715.db2.gz JKRIINARYPVBHB-DQYPLSBCSA-N 1 2 366.389 2.667 20 5 FFBDLO COc1cc(C(=O)NCCCN(C)c2cccc[nH+]2)cc([N+](=O)[O-])c1C ZINC001175714886 1013541056 /nfs/dbraw/zinc/54/10/56/1013541056.db2.gz CUJWMIQFXWWVEB-UHFFFAOYSA-N 1 2 358.398 2.563 20 5 FFBDLO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000176204018 965617933 /nfs/dbraw/zinc/61/79/33/965617933.db2.gz FUGVHXIRTPTBBG-IYBDPMFKSA-N 1 2 354.410 2.898 20 5 FFBDLO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000176204018 965617941 /nfs/dbraw/zinc/61/79/41/965617941.db2.gz FUGVHXIRTPTBBG-IYBDPMFKSA-N 1 2 354.410 2.898 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ncccn2)CC1 ZINC001176294946 1013666553 /nfs/dbraw/zinc/66/65/53/1013666553.db2.gz JUMGOIZPGVQVRA-CYBMUJFWSA-N 1 2 355.398 2.591 20 5 FFBDLO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](c2ncccn2)C2CC2)cccc1[N+](=O)[O-] ZINC001176346931 1013679725 /nfs/dbraw/zinc/67/97/25/1013679725.db2.gz UKXHRHTZVOZKDU-WBMJQRKESA-N 1 2 355.398 2.761 20 5 FFBDLO O=C(CC[N@@H+]1CCO[C@H](c2cccc(O)c2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000121624090 979103532 /nfs/dbraw/zinc/10/35/32/979103532.db2.gz BQAVLPAUBZGBBU-SFHVURJKSA-N 1 2 371.393 2.703 20 5 FFBDLO O=C(CC[N@H+]1CCO[C@H](c2cccc(O)c2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000121624090 979103536 /nfs/dbraw/zinc/10/35/36/979103536.db2.gz BQAVLPAUBZGBBU-SFHVURJKSA-N 1 2 371.393 2.703 20 5 FFBDLO CCC[C@H](OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(=O)OCC ZINC000801863443 984362111 /nfs/dbraw/zinc/36/21/11/984362111.db2.gz ZBNAHDFYBKAWRG-HNNXBMFYSA-N 1 2 361.354 2.669 20 5 FFBDLO CCOC(=O)C[C@H](OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000764702320 984645680 /nfs/dbraw/zinc/64/56/80/984645680.db2.gz PBOVBXBYPQIHFP-INIZCTEOSA-N 1 2 373.365 2.669 20 5 FFBDLO O=[N+]([O-])c1ccc2cnn(CN3CC[NH+](Cc4cccc(F)c4)CC3)c2c1 ZINC000765126958 984969603 /nfs/dbraw/zinc/96/96/03/984969603.db2.gz OLKVOIRMHQNBCT-UHFFFAOYSA-N 1 2 369.400 2.859 20 5 FFBDLO Cc1cccn2cc(CCNc3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)[nH+]c12 ZINC000761908866 987976191 /nfs/dbraw/zinc/97/61/91/987976191.db2.gz YEBAFJZZISTVFS-UHFFFAOYSA-N 1 2 367.365 2.536 20 5 FFBDLO O=[N+]([O-])c1cccc(I)c1O[C@H]1C[NH+]2CCC1CC2 ZINC001229880319 989983976 /nfs/dbraw/zinc/98/39/76/989983976.db2.gz NLMDBOUODUKCLF-LBPRGKRZSA-N 1 2 374.178 2.672 20 5 FFBDLO COc1ccc([C@@H]2COCC[N@@H+]2C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000879737959 1015660874 /nfs/dbraw/zinc/66/08/74/1015660874.db2.gz LCPGKVDJCRFSPR-OALUTQOASA-N 1 2 358.394 2.710 20 5 FFBDLO COc1ccc([C@@H]2COCC[N@H+]2C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000879737959 1015660881 /nfs/dbraw/zinc/66/08/81/1015660881.db2.gz LCPGKVDJCRFSPR-OALUTQOASA-N 1 2 358.394 2.710 20 5 FFBDLO O=C(Oc1ccc2c(c1)CCO2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001131890737 994615604 /nfs/dbraw/zinc/61/56/04/994615604.db2.gz DNRYWRTWQPKTHJ-UHFFFAOYSA-N 1 2 351.318 2.935 20 5 FFBDLO CC1(C)C[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)[C@H]1[C@@H]1CCCO1 ZINC000811777220 995239718 /nfs/dbraw/zinc/23/97/18/995239718.db2.gz AZDANTNUMCYASD-HOTGVXAUSA-N 1 2 357.414 2.700 20 5 FFBDLO CC1(C)C[N@@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)[C@H]1[C@@H]1CCCO1 ZINC000811777220 995239728 /nfs/dbraw/zinc/23/97/28/995239728.db2.gz AZDANTNUMCYASD-HOTGVXAUSA-N 1 2 357.414 2.700 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CC4(CCC4)[C@H]3[C@@H]3CCCO3)n2)c1 ZINC000811793519 995263434 /nfs/dbraw/zinc/26/34/34/995263434.db2.gz WERYTVPTIARYPI-DLBZAZTESA-N 1 2 369.425 2.844 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CC4(CCC4)[C@H]3[C@@H]3CCCO3)n2)c1 ZINC000811793519 995263444 /nfs/dbraw/zinc/26/34/44/995263444.db2.gz WERYTVPTIARYPI-DLBZAZTESA-N 1 2 369.425 2.844 20 5 FFBDLO O=C(NCCNc1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000735825044 999496584 /nfs/dbraw/zinc/49/65/84/999496584.db2.gz BSWSTXZJVASHJF-UHFFFAOYSA-N 1 2 351.366 2.622 20 5 FFBDLO COc1cc(C[NH2+]Cc2nc3cc(F)ccc3n2C)c([N+](=O)[O-])cc1OC ZINC000736355174 999553005 /nfs/dbraw/zinc/55/30/05/999553005.db2.gz FVVGROVAXVZALF-UHFFFAOYSA-N 1 2 374.372 2.928 20 5 FFBDLO Cn1c(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)nc2cc(F)ccc21 ZINC000736355707 999553854 /nfs/dbraw/zinc/55/38/54/999553854.db2.gz UVYMBWJRXJCBOP-UHFFFAOYSA-N 1 2 372.356 2.682 20 5 FFBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@H+](CCc1ccccc1)C1CC1 ZINC000746022683 999941670 /nfs/dbraw/zinc/94/16/70/999941670.db2.gz HYSLNSUPAVTBBO-UHFFFAOYSA-N 1 2 365.389 2.855 20 5 FFBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@@H+](CCc1ccccc1)C1CC1 ZINC000746022683 999941672 /nfs/dbraw/zinc/94/16/72/999941672.db2.gz HYSLNSUPAVTBBO-UHFFFAOYSA-N 1 2 365.389 2.855 20 5 FFBDLO O=[N+]([O-])c1cc2c(cc1F)ncnc2NCCc1cn2ccccc2[nH+]1 ZINC001169002540 1000014747 /nfs/dbraw/zinc/01/47/47/1000014747.db2.gz QXBURYRMOQPLHW-UHFFFAOYSA-N 1 2 352.329 2.979 20 5 FFBDLO CCOC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168987055 1000015965 /nfs/dbraw/zinc/01/59/65/1000015965.db2.gz HGJYDQBMMHSZQF-KBMXLJTQSA-N 1 2 354.834 2.849 20 5 FFBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000769787981 1000601734 /nfs/dbraw/zinc/60/17/34/1000601734.db2.gz LBYYSBFNGNVCNS-UHFFFAOYSA-N 1 2 373.438 2.944 20 5 FFBDLO COC(=O)C1([NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CCCCC1 ZINC001170297163 1003091106 /nfs/dbraw/zinc/09/11/06/1003091106.db2.gz LGBBPBYXGKIZJS-ZDUSSCGKSA-N 1 2 350.415 3.000 20 5 FFBDLO COc1ccc(C[C@H](C)N2CC[NH+](Cc3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC001170326940 1003113380 /nfs/dbraw/zinc/11/33/80/1003113380.db2.gz CRWKNZWCYAAHCP-INIZCTEOSA-N 1 2 370.453 2.747 20 5 FFBDLO CCOC(=O)[C@@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC001197524803 1004247762 /nfs/dbraw/zinc/24/77/62/1004247762.db2.gz XRMUOGXVETTXNJ-VXGBXAGGSA-N 1 2 364.295 2.907 20 5 FFBDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC001197524803 1004247770 /nfs/dbraw/zinc/24/77/70/1004247770.db2.gz XRMUOGXVETTXNJ-VXGBXAGGSA-N 1 2 364.295 2.907 20 5 FFBDLO Cn1c(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)ccc1[N+](=O)[O-] ZINC000816396108 1007024842 /nfs/dbraw/zinc/02/48/42/1007024842.db2.gz FPRNGPXJYGDCCN-ZDUSSCGKSA-N 1 2 371.441 2.991 20 5 FFBDLO Cn1c(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000816396108 1007024858 /nfs/dbraw/zinc/02/48/58/1007024858.db2.gz FPRNGPXJYGDCCN-ZDUSSCGKSA-N 1 2 371.441 2.991 20 5 FFBDLO O=C(N[C@H](C1CC1)[C@@H]1CCCOC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000885455872 1007717134 /nfs/dbraw/zinc/71/71/34/1007717134.db2.gz XCHSOAYXFFECSM-CRAIPNDOSA-N 1 2 370.409 2.716 20 5 FFBDLO CCOC(=O)C1=CC[C@@H]([NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000858510330 1008371786 /nfs/dbraw/zinc/37/17/86/1008371786.db2.gz XHNGRHYOUOWEBQ-WBVHZDCISA-N 1 2 370.409 2.659 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])cc1-c1nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no1 ZINC000823382480 1009041222 /nfs/dbraw/zinc/04/12/22/1009041222.db2.gz YSWAXQQFNCKHEU-LBPRGKRZSA-N 1 2 362.386 2.993 20 5 FFBDLO C[C@@H]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000126219879 1009219103 /nfs/dbraw/zinc/21/91/03/1009219103.db2.gz IYENQCPYDKTMKZ-ZBFHGGJFSA-N 1 2 358.398 2.670 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)nc1 ZINC000118866500 1009788634 /nfs/dbraw/zinc/78/86/34/1009788634.db2.gz VDVWYDIIBZKAHZ-LLVKDONJSA-N 1 2 361.333 2.724 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)nc1 ZINC000118866500 1009788652 /nfs/dbraw/zinc/78/86/52/1009788652.db2.gz VDVWYDIIBZKAHZ-LLVKDONJSA-N 1 2 361.333 2.724 20 5 FFBDLO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CCn4cncc4C3)CC2)c(F)c1 ZINC001173017439 1012189446 /nfs/dbraw/zinc/18/94/46/1012189446.db2.gz CZNGSWMBRJMYAM-UHFFFAOYSA-N 1 2 363.368 2.554 20 5 FFBDLO O=[N+]([O-])c1cc(F)c(N2CCC([N@H+]3CCn4cncc4C3)CC2)c(F)c1 ZINC001173017439 1012189455 /nfs/dbraw/zinc/18/94/55/1012189455.db2.gz CZNGSWMBRJMYAM-UHFFFAOYSA-N 1 2 363.368 2.554 20 5 FFBDLO CCOc1cc(N2CC[NH+](Cc3cnc(CC)o3)CC2)ccc1[N+](=O)[O-] ZINC000930284718 1019962180 /nfs/dbraw/zinc/96/21/80/1019962180.db2.gz BCFJIWHMRUSMJE-UHFFFAOYSA-N 1 2 360.414 2.866 20 5 FFBDLO CCOC(=O)N[C@@H]1CCC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777955052 1020324360 /nfs/dbraw/zinc/32/43/60/1020324360.db2.gz KFZOMIGPIBBYCH-MRXNPFEDSA-N 1 2 373.413 2.626 20 5 FFBDLO CCOC(=O)N[C@@H]1CCC[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777955052 1020324367 /nfs/dbraw/zinc/32/43/67/1020324367.db2.gz KFZOMIGPIBBYCH-MRXNPFEDSA-N 1 2 373.413 2.626 20 5 FFBDLO CC(C)C[C@]1(C)CC(=O)N(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000800865730 1020608971 /nfs/dbraw/zinc/60/89/71/1020608971.db2.gz IIBISBYGLYKLFL-LJQANCHMSA-N 1 2 361.442 2.838 20 5 FFBDLO CC(C)C[C@]1(C)CC(=O)N(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000800865730 1020608977 /nfs/dbraw/zinc/60/89/77/1020608977.db2.gz IIBISBYGLYKLFL-LJQANCHMSA-N 1 2 361.442 2.838 20 5 FFBDLO O=[N+]([O-])c1cc(Br)c(F)cc1O[C@@H]1CC[NH2+]CC1(F)F ZINC001218006651 1032946370 /nfs/dbraw/zinc/94/63/70/1032946370.db2.gz NDBCLSXYQUOUKU-SNVBAGLBSA-N 1 2 355.110 2.872 20 5 FFBDLO Cc1cc2nc3nc(=O)[nH]c(O[C@@H]4CC[NH2+]CC4(C)C)c3nc2cc1C ZINC001218313320 1033098989 /nfs/dbraw/zinc/09/89/89/1033098989.db2.gz AAKIZCNLPHUVPZ-CQSZACIVSA-N 1 2 353.426 2.662 20 5 FFBDLO COc1cccc(C[N@H+](C)CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)c1 ZINC000752786487 1023204528 /nfs/dbraw/zinc/20/45/28/1023204528.db2.gz PKUHRTIMQKVMOR-UHFFFAOYSA-N 1 2 370.409 2.935 20 5 FFBDLO COc1cccc(C[N@@H+](C)CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)c1 ZINC000752786487 1023204537 /nfs/dbraw/zinc/20/45/37/1023204537.db2.gz PKUHRTIMQKVMOR-UHFFFAOYSA-N 1 2 370.409 2.935 20 5 FFBDLO C[N@H+](CC(F)F)C1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000753117157 1023273122 /nfs/dbraw/zinc/27/31/22/1023273122.db2.gz ZGDSFDAGQFVUAM-UHFFFAOYSA-N 1 2 368.384 2.645 20 5 FFBDLO C[N@@H+](CC(F)F)C1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000753117157 1023273132 /nfs/dbraw/zinc/27/31/32/1023273132.db2.gz ZGDSFDAGQFVUAM-UHFFFAOYSA-N 1 2 368.384 2.645 20 5 FFBDLO O=C(CNc1ccccc1[N+](=O)[O-])OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000754496271 1023477486 /nfs/dbraw/zinc/47/74/86/1023477486.db2.gz YBRZBFZITJYESM-UHFFFAOYSA-N 1 2 352.350 2.936 20 5 FFBDLO CN(C)c1cc(COC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc[nH+]1 ZINC000755889651 1023647374 /nfs/dbraw/zinc/64/73/74/1023647374.db2.gz YCGZNHIVEYFPDS-UHFFFAOYSA-N 1 2 367.365 2.599 20 5 FFBDLO Cc1nn(C[NH+]2CCC(C(=O)Nc3cccc(F)c3)CC2)cc1[N+](=O)[O-] ZINC000779864862 1025179553 /nfs/dbraw/zinc/17/95/53/1025179553.db2.gz HUUXZNSRFZAGTF-UHFFFAOYSA-N 1 2 361.377 2.547 20 5 FFBDLO Cn1c[nH+]cc1CCC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000839866048 1026850540 /nfs/dbraw/zinc/85/05/40/1026850540.db2.gz BELHOPRUODKSRV-AWEZNQCLSA-N 1 2 374.294 2.820 20 5 FFBDLO CO[C@@]1(C(F)(F)F)CCC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000780497542 1028715765 /nfs/dbraw/zinc/71/57/65/1028715765.db2.gz ZBPKCCZHRQNKND-AWEZNQCLSA-N 1 2 373.335 2.649 20 5 FFBDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000780497542 1028715781 /nfs/dbraw/zinc/71/57/81/1028715781.db2.gz ZBPKCCZHRQNKND-AWEZNQCLSA-N 1 2 373.335 2.649 20 5 FFBDLO C/C(=C/C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000784090545 1030462333 /nfs/dbraw/zinc/46/23/33/1030462333.db2.gz XGRUKHJVIYMGKR-OBEJXRGXSA-N 1 2 352.394 2.788 20 5 FFBDLO O=[N+]([O-])c1ccc2oc(=S)n(C[N@@H+]3CC[C@@H](Nc4ncccn4)C3)c2c1 ZINC000842618618 1030832641 /nfs/dbraw/zinc/83/26/41/1030832641.db2.gz ZXYXDNMXMCZAFV-LLVKDONJSA-N 1 2 372.410 2.806 20 5 FFBDLO O=[N+]([O-])c1ccc2oc(=S)n(C[N@H+]3CC[C@@H](Nc4ncccn4)C3)c2c1 ZINC000842618618 1030832665 /nfs/dbraw/zinc/83/26/65/1030832665.db2.gz ZXYXDNMXMCZAFV-LLVKDONJSA-N 1 2 372.410 2.806 20 5 FFBDLO O=C(N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)c1cc([N+](=O)[O-])c[nH]1 ZINC001139223648 1035016092 /nfs/dbraw/zinc/01/60/92/1035016092.db2.gz MTBZNBJHZWLAOD-LBPRGKRZSA-N 1 2 357.414 2.981 20 5 FFBDLO O=C(N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)c1cc([N+](=O)[O-])c[nH]1 ZINC001139223648 1035016097 /nfs/dbraw/zinc/01/60/97/1035016097.db2.gz MTBZNBJHZWLAOD-LBPRGKRZSA-N 1 2 357.414 2.981 20 5 FFBDLO O=C(OC[C@H]1CC12CCOCC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835219920 1035629464 /nfs/dbraw/zinc/62/94/64/1035629464.db2.gz KMUHCMJPPXQQNJ-CQSZACIVSA-N 1 2 357.366 2.754 20 5 FFBDLO Cc1cc(O[C@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])cc1Br ZINC001228001961 1035864440 /nfs/dbraw/zinc/86/44/40/1035864440.db2.gz XKDDECLORRFWTA-LLVKDONJSA-N 1 2 359.220 2.765 20 5 FFBDLO CCCSc1nc(O[C@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229792515 1036897537 /nfs/dbraw/zinc/89/75/37/1036897537.db2.gz UBHXOVNVBGAPSS-PJXYFTJBSA-N 1 2 368.459 2.702 20 5 FFBDLO CCCSc1nc(O[C@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229792515 1036897557 /nfs/dbraw/zinc/89/75/57/1036897557.db2.gz UBHXOVNVBGAPSS-PJXYFTJBSA-N 1 2 368.459 2.702 20 5 FFBDLO Cc1nccc([N+](=O)[O-])c1O[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001234899354 1037231690 /nfs/dbraw/zinc/23/16/90/1037231690.db2.gz BMDRXYXZMFGHPS-QAPCUYQASA-N 1 2 357.410 2.967 20 5 FFBDLO Cc1nccc([N+](=O)[O-])c1O[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001234899354 1037231699 /nfs/dbraw/zinc/23/16/99/1037231699.db2.gz BMDRXYXZMFGHPS-QAPCUYQASA-N 1 2 357.410 2.967 20 5 FFBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCn2nc(C(F)(F)F)nc2C1 ZINC001254550743 1040791896 /nfs/dbraw/zinc/79/18/96/1040791896.db2.gz QBWRRLLOTCRXLY-SNVBAGLBSA-N 1 2 355.320 2.652 20 5 FFBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCn2nc(C(F)(F)F)nc2C1 ZINC001254550743 1040791905 /nfs/dbraw/zinc/79/19/05/1040791905.db2.gz QBWRRLLOTCRXLY-SNVBAGLBSA-N 1 2 355.320 2.652 20 5 FFBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC001254571637 1040808115 /nfs/dbraw/zinc/80/81/15/1040808115.db2.gz ZJRXLVHEUVMQJW-HNNXBMFYSA-N 1 2 369.421 2.689 20 5 FFBDLO Cc1c(NC(=O)N[C@H]2Cc3c[nH+]cn3C2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001311258632 1043859134 /nfs/dbraw/zinc/85/91/34/1043859134.db2.gz OIVGGEYJBHMJHC-VIFPVBQESA-N 1 2 369.303 2.865 20 5 FFBDLO COc1ccc(-c2ccc(C[NH2+]Cc3nnc(C)n3C)o2)c([N+](=O)[O-])c1 ZINC001322611719 1046150086 /nfs/dbraw/zinc/15/00/86/1046150086.db2.gz STAWOMYEYSWNEF-UHFFFAOYSA-N 1 2 357.370 2.590 20 5 FFBDLO COCCO[C@@H](C)c1nnc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)o1 ZINC001323039887 1046318265 /nfs/dbraw/zinc/31/82/65/1046318265.db2.gz TUOQMVLGTIKLHI-NSHDSACASA-N 1 2 359.342 2.555 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)n1 ZINC001540149207 1070772318 /nfs/dbraw/zinc/77/23/18/1070772318.db2.gz IXOAJSBHCGFGTA-MRXNPFEDSA-N 1 2 365.393 2.746 20 5 FFBDLO O=C(N[C@@H]1CCCc2cccnc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001289457361 1047682029 /nfs/dbraw/zinc/68/20/29/1047682029.db2.gz BYIKQFZPGVBCHH-OAHLLOKOSA-N 1 2 363.377 2.983 20 5 FFBDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001329793419 1048913780 /nfs/dbraw/zinc/91/37/80/1048913780.db2.gz UYPVXVUISXRQBD-IBGZPJMESA-N 1 2 367.405 2.720 20 5 FFBDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001329793419 1048913793 /nfs/dbraw/zinc/91/37/93/1048913793.db2.gz UYPVXVUISXRQBD-IBGZPJMESA-N 1 2 367.405 2.720 20 5 FFBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001333746103 1049097567 /nfs/dbraw/zinc/09/75/67/1049097567.db2.gz BUEBZYQXZBOAAY-JCGIZDLHSA-N 1 2 368.437 2.913 20 5 FFBDLO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(Cl)cc1 ZINC001294243066 1049717516 /nfs/dbraw/zinc/71/75/16/1049717516.db2.gz BQJSHUCWURALEJ-OAHLLOKOSA-N 1 2 363.801 2.987 20 5 FFBDLO COc1ccc(NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c([N+](=O)[O-])c1 ZINC001347496501 1054045542 /nfs/dbraw/zinc/04/55/42/1054045542.db2.gz REHYJQBIMMJEGJ-ZDUSSCGKSA-N 1 2 373.413 2.824 20 5 FFBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001353185976 1056164780 /nfs/dbraw/zinc/16/47/80/1056164780.db2.gz SJBBLUOGCOWMSO-UHFFFAOYSA-N 1 2 367.409 2.754 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCCC[C@H]1[C@@H]1CCCO1 ZINC001518965111 1058569266 /nfs/dbraw/zinc/56/92/66/1058569266.db2.gz ZXZGXPZDWCKRQT-WMZOPIPTSA-N 1 2 370.409 2.954 20 5 FFBDLO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001448803484 1058820542 /nfs/dbraw/zinc/82/05/42/1058820542.db2.gz BGNFODHVIOKLKO-VXGBXAGGSA-N 1 2 354.288 2.757 20 5 FFBDLO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001448803484 1058820568 /nfs/dbraw/zinc/82/05/68/1058820568.db2.gz BGNFODHVIOKLKO-VXGBXAGGSA-N 1 2 354.288 2.757 20 5 FFBDLO Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)c(N(C)C)[nH+]1 ZINC001519738328 1059014080 /nfs/dbraw/zinc/01/40/80/1059014080.db2.gz XAAVHEURPHMQJF-UHFFFAOYSA-N 1 2 366.381 2.802 20 5 FFBDLO C[NH+](C)Cc1csc(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)n1 ZINC001455880889 1059942595 /nfs/dbraw/zinc/94/25/95/1059942595.db2.gz RLCAVIHRTDEMLI-UHFFFAOYSA-N 1 2 359.411 2.524 20 5 FFBDLO O=C(N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848581408 1060310445 /nfs/dbraw/zinc/31/04/45/1060310445.db2.gz MEGQTEZULGBSDY-LLVKDONJSA-N 1 2 366.324 2.696 20 5 FFBDLO Cc1c(CNC(=O)N2CCC(c3c[nH+]cn3C)CC2)cccc1[N+](=O)[O-] ZINC001521477510 1060611296 /nfs/dbraw/zinc/61/12/96/1060611296.db2.gz RUPOFKRUHNPLRR-UHFFFAOYSA-N 1 2 357.414 2.726 20 5 FFBDLO C[C@@](O)(C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C(F)(F)C(F)(F)F ZINC001459654995 1060788483 /nfs/dbraw/zinc/78/84/83/1060788483.db2.gz KVQCOHIMQGWPRC-GFCCVEGCSA-N 1 2 354.275 2.902 20 5 FFBDLO C[C@@](O)(C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C(F)(F)C(F)(F)F ZINC001459654995 1060788496 /nfs/dbraw/zinc/78/84/96/1060788496.db2.gz KVQCOHIMQGWPRC-GFCCVEGCSA-N 1 2 354.275 2.902 20 5 FFBDLO CCC1(CC)CNC(=O)[C@@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001460829537 1061119323 /nfs/dbraw/zinc/11/93/23/1061119323.db2.gz VUWZFYOOCXYDFU-HNNXBMFYSA-N 1 2 358.398 2.644 20 5 FFBDLO Cc1noc2ncc(NC(=O)c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)cc12 ZINC001532538033 1063110026 /nfs/dbraw/zinc/11/00/26/1063110026.db2.gz FQFBFKXYOXKILD-UHFFFAOYSA-N 1 2 364.321 2.877 20 5 FFBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001467317162 1063706564 /nfs/dbraw/zinc/70/65/64/1063706564.db2.gz IIAVDEFORLFENN-GFCCVEGCSA-N 1 2 360.439 2.758 20 5 FFBDLO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC001472406615 1065048557 /nfs/dbraw/zinc/04/85/57/1065048557.db2.gz UQESWOHCHSQNDX-LBPRGKRZSA-N 1 2 372.429 2.543 20 5 FFBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC001562869623 1074102667 /nfs/dbraw/zinc/10/26/67/1074102667.db2.gz ZCJVMMBVMCPCME-VXGBXAGGSA-N 1 2 370.837 2.787 20 5 FFBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC001562869623 1074102673 /nfs/dbraw/zinc/10/26/73/1074102673.db2.gz ZCJVMMBVMCPCME-VXGBXAGGSA-N 1 2 370.837 2.787 20 5 FFBDLO C[C@H](O)[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC001557677304 1075872891 /nfs/dbraw/zinc/87/28/91/1075872891.db2.gz OISJLDKLVLQHOU-SCLBCKFNSA-N 1 2 366.377 2.632 20 5 FFBDLO CCOc1cc(C[NH2+][C@H](c2nccn2C)C(C)(C)CO)ccc1[N+](=O)[O-] ZINC001559945679 1076205201 /nfs/dbraw/zinc/20/52/01/1076205201.db2.gz AQYKMTVGUPDVEC-MRXNPFEDSA-N 1 2 362.430 2.576 20 5 FFBDLO C[C@@](CO)([NH2+]Cc1ccn(-c2ccccc2F)n1)c1cccc([N+](=O)[O-])c1 ZINC001560066018 1076220905 /nfs/dbraw/zinc/22/09/05/1076220905.db2.gz FZQYAJIERBVNGF-IBGZPJMESA-N 1 2 370.384 2.917 20 5 FFBDLO Cc1noc(C[N@@H+]2CC[C@@H]3CC[C@@]32CNC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC001560207337 1076246690 /nfs/dbraw/zinc/24/66/90/1076246690.db2.gz LNLNEKLXSGAEAG-YVEFUNNKSA-N 1 2 366.418 2.770 20 5 FFBDLO Cc1noc(C[N@H+]2CC[C@@H]3CC[C@@]32CNC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC001560207337 1076246693 /nfs/dbraw/zinc/24/66/93/1076246693.db2.gz LNLNEKLXSGAEAG-YVEFUNNKSA-N 1 2 366.418 2.770 20 5 FFBDLO CC(=O)Nc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000016019432 211154387 /nfs/dbraw/zinc/15/43/87/211154387.db2.gz AJPZJBUHKQTUAL-UHFFFAOYSA-N 1 2 365.349 2.991 20 5 FFBDLO CN(C(=O)C[NH+]1CCN(Cc2ccccc2[N+](=O)[O-])CC1)C1CCCCC1 ZINC000103150076 250137326 /nfs/dbraw/zinc/13/73/26/250137326.db2.gz VPBRUPPPMQTKEO-UHFFFAOYSA-N 1 2 374.485 2.504 20 5 FFBDLO CN(C(=O)CN1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)C1CCCCC1 ZINC000103150076 250137329 /nfs/dbraw/zinc/13/73/29/250137329.db2.gz VPBRUPPPMQTKEO-UHFFFAOYSA-N 1 2 374.485 2.504 20 5 FFBDLO CN(CCCn1cc[nH+]c1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272379468 252023960 /nfs/dbraw/zinc/02/39/60/252023960.db2.gz VGRJCUSODZXDAM-UHFFFAOYSA-N 1 2 365.821 2.719 20 5 FFBDLO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1c(F)cccc1F ZINC000273141889 252228116 /nfs/dbraw/zinc/22/81/16/252228116.db2.gz KIAHLBRILVZCLL-LLVKDONJSA-N 1 2 370.377 2.998 20 5 FFBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000285936530 257012224 /nfs/dbraw/zinc/01/22/24/257012224.db2.gz LZFVDNGBBGPDGH-RDTXWAMCSA-N 1 2 372.425 2.545 20 5 FFBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H](C(F)(F)F)[C@H](CO)C3)nc2c1 ZINC000286609200 257045326 /nfs/dbraw/zinc/04/53/26/257045326.db2.gz RMFWOAHTZISPCF-GXSJLCMTSA-N 1 2 359.304 2.729 20 5 FFBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@@H](C(F)(F)F)[C@H](CO)C3)nc2c1 ZINC000286609200 257045327 /nfs/dbraw/zinc/04/53/27/257045327.db2.gz RMFWOAHTZISPCF-GXSJLCMTSA-N 1 2 359.304 2.729 20 5 FFBDLO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000287088069 257071160 /nfs/dbraw/zinc/07/11/60/257071160.db2.gz WWEYTQOEPYLPHN-MRXNPFEDSA-N 1 2 374.397 2.960 20 5 FFBDLO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000287088069 257071161 /nfs/dbraw/zinc/07/11/61/257071161.db2.gz WWEYTQOEPYLPHN-MRXNPFEDSA-N 1 2 374.397 2.960 20 5 FFBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)n1 ZINC000287588589 257097287 /nfs/dbraw/zinc/09/72/87/257097287.db2.gz YEUIUZDAPVSANW-JTQLQIEISA-N 1 2 374.323 2.506 20 5 FFBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)n1 ZINC000287588589 257097288 /nfs/dbraw/zinc/09/72/88/257097288.db2.gz YEUIUZDAPVSANW-JTQLQIEISA-N 1 2 374.323 2.506 20 5 FFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289409106 257279643 /nfs/dbraw/zinc/27/96/43/257279643.db2.gz ADHXNQXVEYPMQC-WCQYABFASA-N 1 2 363.805 2.719 20 5 FFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289409106 257279644 /nfs/dbraw/zinc/27/96/44/257279644.db2.gz ADHXNQXVEYPMQC-WCQYABFASA-N 1 2 363.805 2.719 20 5 FFBDLO CC(C)[C@@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000288906988 257236852 /nfs/dbraw/zinc/23/68/52/257236852.db2.gz KCWNHBXADYDVFK-GFCCVEGCSA-N 1 2 358.807 2.647 20 5 FFBDLO O=C(C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000289747209 257297059 /nfs/dbraw/zinc/29/70/59/257297059.db2.gz YMFXOBOHWWHAIL-IEBWSBKVSA-N 1 2 371.437 2.517 20 5 FFBDLO O=C(C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000289747209 257297060 /nfs/dbraw/zinc/29/70/60/257297060.db2.gz YMFXOBOHWWHAIL-IEBWSBKVSA-N 1 2 371.437 2.517 20 5 FFBDLO Cn1ncc(Br)c1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000289554166 257287161 /nfs/dbraw/zinc/28/71/61/257287161.db2.gz RGMPRCYFCJCSGS-UHFFFAOYSA-N 1 2 353.220 2.765 20 5 FFBDLO Cn1ncc(Br)c1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000289554166 257287162 /nfs/dbraw/zinc/28/71/62/257287162.db2.gz RGMPRCYFCJCSGS-UHFFFAOYSA-N 1 2 353.220 2.765 20 5 FFBDLO COc1cc[nH+]cc1CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000292582379 257506503 /nfs/dbraw/zinc/50/65/03/257506503.db2.gz AWIHVJPQDSXBFR-UHFFFAOYSA-N 1 2 364.789 2.694 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1N1CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000301145158 258028721 /nfs/dbraw/zinc/02/87/21/258028721.db2.gz AGMJRNAMVOOHFS-UHFFFAOYSA-N 1 2 351.410 2.873 20 5 FFBDLO COc1cc(F)c([N+](=O)[O-])c(N2CC[NH+](Cc3cccc(O)c3)CC2)c1 ZINC000301351336 258044635 /nfs/dbraw/zinc/04/46/35/258044635.db2.gz MUTLQPGTYYEMMI-UHFFFAOYSA-N 1 2 361.373 2.770 20 5 FFBDLO C[C@@H]1C[NH+](C[C@H]2CCCN2c2ncc([N+](=O)[O-])cc2Cl)C[C@@H](C)O1 ZINC000302502778 258104294 /nfs/dbraw/zinc/10/42/94/258104294.db2.gz LZXKVBNGZKPUCB-JHJVBQTASA-N 1 2 354.838 2.721 20 5 FFBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCCc1[nH]c2ccccc2[nH+]1 ZINC000302695768 258108264 /nfs/dbraw/zinc/10/82/64/258108264.db2.gz GUIXLHHELOJGBX-UHFFFAOYSA-N 1 2 374.422 2.919 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)cc1OC(F)F ZINC000302774935 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368.368 2.916 20 5 FFBDLO O=C(NCCCn1cc[nH+]c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000051340581 507763223 /nfs/dbraw/zinc/76/32/23/507763223.db2.gz AJRVOQJGKGHGSD-UHFFFAOYSA-N 1 2 357.395 2.735 20 5 FFBDLO C[C@H](Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000064670292 507807085 /nfs/dbraw/zinc/80/70/85/507807085.db2.gz ZDZJTNCFYBPXQP-AWEZNQCLSA-N 1 2 369.425 2.551 20 5 FFBDLO CC(C)[C@@]1(CO)CC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000377641235 512372797 /nfs/dbraw/zinc/37/27/97/512372797.db2.gz KOXVACIZGXKTBN-SJCJKPOMSA-N 1 2 369.849 2.916 20 5 FFBDLO CC(C)[C@@]1(CO)CC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000377641235 512372800 /nfs/dbraw/zinc/37/28/00/512372800.db2.gz KOXVACIZGXKTBN-SJCJKPOMSA-N 1 2 369.849 2.916 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000080543350 508083202 /nfs/dbraw/zinc/08/32/02/508083202.db2.gz KMKPTYFMZFDUPF-UHFFFAOYSA-N 1 2 354.410 2.664 20 5 FFBDLO 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369.425 2.882 20 5 FFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000249330884 509658535 /nfs/dbraw/zinc/65/85/35/509658535.db2.gz WDFQYQLCVTWXTL-CJNGLKHVSA-N 1 2 371.393 2.694 20 5 FFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000249330884 509658538 /nfs/dbraw/zinc/65/85/38/509658538.db2.gz WDFQYQLCVTWXTL-CJNGLKHVSA-N 1 2 371.393 2.694 20 5 FFBDLO CCc1cc(NCC2(C(=O)OC)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000186515983 509749013 /nfs/dbraw/zinc/74/90/13/509749013.db2.gz XCHDGFDBBSVWKH-UHFFFAOYSA-N 1 2 356.382 2.979 20 5 FFBDLO Cc1cc(S(=O)(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc([N+](=O)[O-])c1F ZINC000180107303 509756901 /nfs/dbraw/zinc/75/69/01/509756901.db2.gz FYNZHUUGSYLZLJ-LBPRGKRZSA-N 1 2 368.390 2.681 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186603035 509795983 /nfs/dbraw/zinc/79/59/83/509795983.db2.gz DJMZZYITJABXPU-FQEVSTJZSA-N 1 2 367.405 2.973 20 5 FFBDLO 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COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000193585043 509978433 /nfs/dbraw/zinc/97/84/33/509978433.db2.gz RUJQZKYSENXXBL-ZDUSSCGKSA-N 1 2 373.413 2.535 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000193596376 509983501 /nfs/dbraw/zinc/98/35/01/509983501.db2.gz ATGRXSPMLCFHHN-UHFFFAOYSA-N 1 2 354.366 2.578 20 5 FFBDLO C[C@H]1CO[C@@H](c2ccccc2Cl)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174857952 510348119 /nfs/dbraw/zinc/34/81/19/510348119.db2.gz OCNDYRLUJIDULW-BLLLJJGKSA-N 1 2 350.806 2.907 20 5 FFBDLO C[C@H]1CO[C@@H](c2ccccc2Cl)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174857952 510348124 /nfs/dbraw/zinc/34/81/24/510348124.db2.gz OCNDYRLUJIDULW-BLLLJJGKSA-N 1 2 350.806 2.907 20 5 FFBDLO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1O ZINC000184607351 510414229 /nfs/dbraw/zinc/41/42/29/510414229.db2.gz PNCRNNUMTHZSIR-CQSZACIVSA-N 1 2 361.423 2.929 20 5 FFBDLO CCCc1n[nH]c(C(=O)NCCNc2ccc3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000266449051 510594113 /nfs/dbraw/zinc/59/41/13/510594113.db2.gz IXTBDGJVYHNZKO-UHFFFAOYSA-N 1 2 368.397 2.661 20 5 FFBDLO COC(=O)C[C@@H]1CCCN1c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000178852254 510804244 /nfs/dbraw/zinc/80/42/44/510804244.db2.gz VPRQZOZQIMZWIO-HNNXBMFYSA-N 1 2 356.382 2.892 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[NH+](Cc2ccco2)CC1 ZINC000270751756 510972666 /nfs/dbraw/zinc/97/26/66/510972666.db2.gz APWAARXZYDUKRO-UHFFFAOYSA-N 1 2 366.377 2.694 20 5 FFBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000282496705 510999941 /nfs/dbraw/zinc/99/99/41/510999941.db2.gz RNTNYQHUGJGZKN-UHFFFAOYSA-N 1 2 367.409 2.669 20 5 FFBDLO COc1cc(C(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)c([N+](=O)[O-])cc1OC ZINC000297866313 511093135 /nfs/dbraw/zinc/09/31/35/511093135.db2.gz ZDPAFDUWCMZKIK-OAHLLOKOSA-N 1 2 374.397 2.569 20 5 FFBDLO O=[N+]([O-])c1cnc2ccccc2c1NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000291625430 511272229 /nfs/dbraw/zinc/27/22/29/511272229.db2.gz KXWMAZAROBXHBJ-UHFFFAOYSA-N 1 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O=C(C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000284360488 511696355 /nfs/dbraw/zinc/69/63/55/511696355.db2.gz DJKVKBJNOQLWEQ-GJZGRUSLSA-N 1 2 353.806 2.830 20 5 FFBDLO O=C(C[N@H+]1CCC[C@H]1[C@@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000284360488 511696356 /nfs/dbraw/zinc/69/63/56/511696356.db2.gz DJKVKBJNOQLWEQ-GJZGRUSLSA-N 1 2 353.806 2.830 20 5 FFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000365926014 511731984 /nfs/dbraw/zinc/73/19/84/511731984.db2.gz ZPVRKVVREDJLML-NSHDSACASA-N 1 2 369.385 2.704 20 5 FFBDLO Cn1c[nH+]c(CCNc2ccc(I)cc2[N+](=O)[O-])c1 ZINC000313466664 511790617 /nfs/dbraw/zinc/79/06/17/511790617.db2.gz FTPKCVHZKCDMRN-UHFFFAOYSA-N 1 2 372.166 2.588 20 5 FFBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000281627068 511912956 /nfs/dbraw/zinc/91/29/56/511912956.db2.gz LLMPJCVOUXAVPI-AWEZNQCLSA-N 1 2 364.427 2.727 20 5 FFBDLO O=[N+]([O-])c1cccc(OCC[NH2+]C2(c3noc(C(F)F)n3)CCC2)c1 ZINC000366327609 511960491 /nfs/dbraw/zinc/96/04/91/511960491.db2.gz KUUPHBJUXHLMSD-UHFFFAOYSA-N 1 2 354.313 2.963 20 5 FFBDLO CN(CCCn1cc[nH+]c1)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293503643 511988942 /nfs/dbraw/zinc/98/89/42/511988942.db2.gz XJFOUPZQAFDMKA-UHFFFAOYSA-N 1 2 356.304 2.972 20 5 FFBDLO COC(=O)c1cc(NCc2cccnc2-n2cc[nH+]c2)cc(C)c1[N+](=O)[O-] ZINC000378034146 512557314 /nfs/dbraw/zinc/55/73/14/512557314.db2.gz ANGCFQPCKVOCSY-UHFFFAOYSA-N 1 2 367.365 2.883 20 5 FFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000373915787 512569763 /nfs/dbraw/zinc/56/97/63/512569763.db2.gz LOMIHPIZQHNGTJ-RDTXWAMCSA-N 1 2 370.409 2.608 20 5 FFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000373915787 512569768 /nfs/dbraw/zinc/56/97/68/512569768.db2.gz LOMIHPIZQHNGTJ-RDTXWAMCSA-N 1 2 370.409 2.608 20 5 FFBDLO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378082850 512581449 /nfs/dbraw/zinc/58/14/49/512581449.db2.gz IUVQTOPRQFPRST-UHFFFAOYSA-N 1 2 366.381 2.523 20 5 FFBDLO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378082850 512581454 /nfs/dbraw/zinc/58/14/54/512581454.db2.gz IUVQTOPRQFPRST-UHFFFAOYSA-N 1 2 366.381 2.523 20 5 FFBDLO CC(=O)c1ccc2c(c1)C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000411920406 512875449 /nfs/dbraw/zinc/87/54/49/512875449.db2.gz GMVRPELWJMFNDK-SFHVURJKSA-N 1 2 356.378 2.553 20 5 FFBDLO CC(=O)c1ccc2c(c1)C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000411920406 512875453 /nfs/dbraw/zinc/87/54/53/512875453.db2.gz GMVRPELWJMFNDK-SFHVURJKSA-N 1 2 356.378 2.553 20 5 FFBDLO COc1cc(C[N@@H+]2CCOCC[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000370358115 512891941 /nfs/dbraw/zinc/89/19/41/512891941.db2.gz FMLRNXCPRFQLJC-LLVKDONJSA-N 1 2 360.357 2.858 20 5 FFBDLO COc1cc(C[N@H+]2CCOCC[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000370358115 512891943 /nfs/dbraw/zinc/89/19/43/512891943.db2.gz FMLRNXCPRFQLJC-LLVKDONJSA-N 1 2 360.357 2.858 20 5 FFBDLO Cc1cn2c([nH+]1)CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)CC2 ZINC000374665170 512944827 /nfs/dbraw/zinc/94/48/27/512944827.db2.gz UHXVEQDMBMVDMX-UHFFFAOYSA-N 1 2 365.187 2.518 20 5 FFBDLO COc1ccc(Br)c(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)c1 ZINC000429304001 513335460 /nfs/dbraw/zinc/33/54/60/513335460.db2.gz DGTUVLGRKBNVAQ-UHFFFAOYSA-N 1 2 369.219 2.694 20 5 FFBDLO COc1ccc(Br)c(C[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)c1 ZINC000429304001 513335464 /nfs/dbraw/zinc/33/54/64/513335464.db2.gz DGTUVLGRKBNVAQ-UHFFFAOYSA-N 1 2 369.219 2.694 20 5 FFBDLO Cc1ccn(C2CC[NH+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)n1 ZINC000434496171 513342350 /nfs/dbraw/zinc/34/23/50/513342350.db2.gz GDNHOAFMDJGQNQ-UHFFFAOYSA-N 1 2 357.414 2.684 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425006655 513366017 /nfs/dbraw/zinc/36/60/17/513366017.db2.gz QCAIZMPORKMVAQ-FUHWJXTLSA-N 1 2 367.405 2.647 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425006655 513366024 /nfs/dbraw/zinc/36/60/24/513366024.db2.gz QCAIZMPORKMVAQ-FUHWJXTLSA-N 1 2 367.405 2.647 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000434701854 513398094 /nfs/dbraw/zinc/39/80/94/513398094.db2.gz IEXUVLLYCJVEMC-HNNXBMFYSA-N 1 2 351.447 2.535 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cscn3)CC2)c2cccnc21 ZINC000413071695 513425312 /nfs/dbraw/zinc/42/53/12/513425312.db2.gz LUYDJNKQVKUBRB-UHFFFAOYSA-N 1 2 355.423 2.922 20 5 FFBDLO CCc1cc(CCC[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)on1 ZINC000451083227 513504675 /nfs/dbraw/zinc/50/46/75/513504675.db2.gz VTJLCXYWVSKYMC-UHFFFAOYSA-N 1 2 372.425 2.536 20 5 FFBDLO CCc1nc(C(C)(C)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)no1 ZINC000441264615 513525084 /nfs/dbraw/zinc/52/50/84/513525084.db2.gz RBMNQOBTVCUCFT-UHFFFAOYSA-N 1 2 361.402 2.702 20 5 FFBDLO CC(C)(C)C[C@H](O)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447813990 513577584 /nfs/dbraw/zinc/57/75/84/513577584.db2.gz VKQYYLDPLZKTIV-HNNXBMFYSA-N 1 2 351.447 2.636 20 5 FFBDLO CCCN(CC[NH+]1CCN(CC)CC1)c1nccc2ccc([N+](=O)[O-])cc21 ZINC000413306614 513583020 /nfs/dbraw/zinc/58/30/20/513583020.db2.gz YPERZQORNFAIHW-UHFFFAOYSA-N 1 2 371.485 2.997 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCn2c(nnc2C2CCCC2)C1 ZINC000430218236 513589054 /nfs/dbraw/zinc/58/90/54/513589054.db2.gz JYOZKXDRQUQECQ-UHFFFAOYSA-N 1 2 357.414 2.868 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCn2c(nnc2C2CCCC2)C1 ZINC000430218236 513589060 /nfs/dbraw/zinc/58/90/60/513589060.db2.gz JYOZKXDRQUQECQ-UHFFFAOYSA-N 1 2 357.414 2.868 20 5 FFBDLO CCc1cc(NCC2([S@@](C)=O)CCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000435661560 513650595 /nfs/dbraw/zinc/65/05/95/513650595.db2.gz FNRNLIUMXKNFGB-AREMUKBSSA-N 1 2 374.466 2.749 20 5 FFBDLO CS[C@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000451317609 513673538 /nfs/dbraw/zinc/67/35/38/513673538.db2.gz CTAKNGTZGAGPAR-JTQLQIEISA-N 1 2 374.260 2.733 20 5 FFBDLO CS[C@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000451317609 513673545 /nfs/dbraw/zinc/67/35/45/513673545.db2.gz CTAKNGTZGAGPAR-JTQLQIEISA-N 1 2 374.260 2.733 20 5 FFBDLO Cc1cc(OCC(=O)NCc2ccccc2-n2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000435797364 513686322 /nfs/dbraw/zinc/68/63/22/513686322.db2.gz YNFPLYWDSRQTFF-UHFFFAOYSA-N 1 2 366.377 2.784 20 5 FFBDLO C[C@@H](O)C[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451517225 513802551 /nfs/dbraw/zinc/80/25/51/513802551.db2.gz IESRVNFDCSJIRX-UKRRQHHQSA-N 1 2 358.398 2.546 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC2(CCOCC2)CC1 ZINC000451545724 513823428 /nfs/dbraw/zinc/82/34/28/513823428.db2.gz AFBHTQNPSVPZEP-UHFFFAOYSA-N 1 2 370.409 2.813 20 5 FFBDLO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000436929103 514037939 /nfs/dbraw/zinc/03/79/39/514037939.db2.gz UNOLPHBTBWANDD-GOEBONIOSA-N 1 2 369.421 2.941 20 5 FFBDLO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000436929103 514037949 /nfs/dbraw/zinc/03/79/49/514037949.db2.gz UNOLPHBTBWANDD-GOEBONIOSA-N 1 2 369.421 2.941 20 5 FFBDLO COc1c(C)c[nH+]c(CN(C)C(=O)COc2ccc([N+](=O)[O-])c(C)c2)c1C ZINC000431918638 514039172 /nfs/dbraw/zinc/03/91/72/514039172.db2.gz KEEINQQDJYZKOO-UHFFFAOYSA-N 1 2 373.409 2.961 20 5 FFBDLO Cc1ccc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)cc1[N+](=O)[O-] ZINC000437355938 514147168 /nfs/dbraw/zinc/14/71/68/514147168.db2.gz PGKQAJTUJQCKAA-RTWAWAEBSA-N 1 2 367.449 2.988 20 5 FFBDLO Cc1ccc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)cc1[N+](=O)[O-] ZINC000437355938 514147174 /nfs/dbraw/zinc/14/71/74/514147174.db2.gz PGKQAJTUJQCKAA-RTWAWAEBSA-N 1 2 367.449 2.988 20 5 FFBDLO O=[N+]([O-])c1cccc2c(NCc3ccc(N4CCOCC4)[nH+]c3)ccnc21 ZINC000432330555 514162345 /nfs/dbraw/zinc/16/23/45/514162345.db2.gz CDEMUNMGYRSZRM-UHFFFAOYSA-N 1 2 365.393 2.987 20 5 FFBDLO CCOc1cccc(C[N@H+](CCO)Cc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000452052781 514163681 /nfs/dbraw/zinc/16/36/81/514163681.db2.gz NHELPOCVDOVGHM-UHFFFAOYSA-N 1 2 360.410 2.997 20 5 FFBDLO CCOc1cccc(C[N@@H+](CCO)Cc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000452052781 514163688 /nfs/dbraw/zinc/16/36/88/514163688.db2.gz NHELPOCVDOVGHM-UHFFFAOYSA-N 1 2 360.410 2.997 20 5 FFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000423697988 514205690 /nfs/dbraw/zinc/20/56/90/514205690.db2.gz LZDNZLSCGZQPAQ-SNVBAGLBSA-N 1 2 359.398 2.681 20 5 FFBDLO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444603890 514270425 /nfs/dbraw/zinc/27/04/25/514270425.db2.gz YKNAIHWEWFWOIA-CYBMUJFWSA-N 1 2 359.430 2.599 20 5 FFBDLO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444603890 514270433 /nfs/dbraw/zinc/27/04/33/514270433.db2.gz YKNAIHWEWFWOIA-CYBMUJFWSA-N 1 2 359.430 2.599 20 5 FFBDLO COc1cc(C(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)cc([N+](=O)[O-])c1OC ZINC000452451617 514363341 /nfs/dbraw/zinc/36/33/41/514363341.db2.gz LRVCQAFNMPFQQN-OAHLLOKOSA-N 1 2 374.397 2.569 20 5 FFBDLO COc1cc(C[N@@H+]2CC[C@]23CCOC3)c([N+](=O)[O-])cc1OCC(F)F ZINC000421016804 514439619 /nfs/dbraw/zinc/43/96/19/514439619.db2.gz JHTBSOBLYBBIRB-MRXNPFEDSA-N 1 2 358.341 2.612 20 5 FFBDLO COc1cc(C[N@H+]2CC[C@]23CCOC3)c([N+](=O)[O-])cc1OCC(F)F ZINC000421016804 514439624 /nfs/dbraw/zinc/43/96/24/514439624.db2.gz JHTBSOBLYBBIRB-MRXNPFEDSA-N 1 2 358.341 2.612 20 5 FFBDLO CCO[C@H](CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)C ZINC000450013899 514464793 /nfs/dbraw/zinc/46/47/93/514464793.db2.gz BCAIYRWNJVIHPH-QGZVFWFLSA-N 1 2 360.414 2.962 20 5 FFBDLO CCO[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)C ZINC000450013898 514465671 /nfs/dbraw/zinc/46/56/71/514465671.db2.gz BCAIYRWNJVIHPH-KRWDZBQOSA-N 1 2 360.414 2.962 20 5 FFBDLO CCn1ccnc1[C@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000439008594 514483149 /nfs/dbraw/zinc/48/31/49/514483149.db2.gz WYWSZZPXGPGGTH-FUHWJXTLSA-N 1 2 374.441 2.778 20 5 FFBDLO CCn1ccnc1[C@H]1CCCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000439008594 514483154 /nfs/dbraw/zinc/48/31/54/514483154.db2.gz WYWSZZPXGPGGTH-FUHWJXTLSA-N 1 2 374.441 2.778 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(Cc2noc(Cc3cn4ccccc4[nH+]3)n2)c1 ZINC000445575046 514495100 /nfs/dbraw/zinc/49/51/00/514495100.db2.gz OUXISJCGWRHGIK-UHFFFAOYSA-N 1 2 365.349 2.816 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@@H](C2CCOCC2)C1 ZINC000450228588 514553480 /nfs/dbraw/zinc/55/34/80/514553480.db2.gz BGMWUXFRCPPKPO-MRXNPFEDSA-N 1 2 370.409 2.669 20 5 FFBDLO CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@@H](CO)C(C)C ZINC000452957594 514574057 /nfs/dbraw/zinc/57/40/57/514574057.db2.gz JGKXWJHFJQPNKW-MAUKXSAKSA-N 1 2 374.441 2.799 20 5 FFBDLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461412321 514604205 /nfs/dbraw/zinc/60/42/05/514604205.db2.gz ATXVVTSBELUNLZ-UHFFFAOYSA-N 1 2 364.361 2.815 20 5 FFBDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H](C)C1 ZINC000508285115 514730867 /nfs/dbraw/zinc/73/08/67/514730867.db2.gz AOBOTKAVAWIOBZ-CQSZACIVSA-N 1 2 372.425 2.668 20 5 FFBDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H](C)C1 ZINC000508285115 514730877 /nfs/dbraw/zinc/73/08/77/514730877.db2.gz AOBOTKAVAWIOBZ-CQSZACIVSA-N 1 2 372.425 2.668 20 5 FFBDLO COC(=O)COc1ccc(C[N@@H+]2CCc3ccc(F)cc3C2)cc1[N+](=O)[O-] ZINC000475711547 514772911 /nfs/dbraw/zinc/77/29/11/514772911.db2.gz CFVVGUNHBVVLDR-UHFFFAOYSA-N 1 2 374.368 2.844 20 5 FFBDLO COC(=O)COc1ccc(C[N@H+]2CCc3ccc(F)cc3C2)cc1[N+](=O)[O-] ZINC000475711547 514772919 /nfs/dbraw/zinc/77/29/19/514772919.db2.gz CFVVGUNHBVVLDR-UHFFFAOYSA-N 1 2 374.368 2.844 20 5 FFBDLO COc1cc([N+](=O)[O-])c(C(=O)NCc2cn3ccccc3[nH+]2)cc1SC ZINC000484960244 514855893 /nfs/dbraw/zinc/85/58/93/514855893.db2.gz PRGVHCSVULIXJX-UHFFFAOYSA-N 1 2 372.406 2.903 20 5 FFBDLO Cc1cc(Nc2ncc([N+](=O)[O-])cc2C(N)=O)c[nH+]c1N1CCCC[C@@H]1C ZINC000503277954 514988253 /nfs/dbraw/zinc/98/82/53/514988253.db2.gz XVBKVRAQCZPUAE-LBPRGKRZSA-N 1 2 370.413 2.915 20 5 FFBDLO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c2[nH+]ccn21 ZINC000456426895 515176656 /nfs/dbraw/zinc/17/66/56/515176656.db2.gz QTNAHPQPPNVBPI-GZMMTYOYSA-N 1 2 352.297 2.829 20 5 FFBDLO COc1ccc(OC)c(C[N@H+](CCO)Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000490395179 515197773 /nfs/dbraw/zinc/19/77/73/515197773.db2.gz AMNALRKRVXUBET-UHFFFAOYSA-N 1 2 364.373 2.746 20 5 FFBDLO COc1ccc(OC)c(C[N@@H+](CCO)Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000490395179 515197780 /nfs/dbraw/zinc/19/77/80/515197780.db2.gz AMNALRKRVXUBET-UHFFFAOYSA-N 1 2 364.373 2.746 20 5 FFBDLO O=[N+]([O-])c1cc(F)c(CN2CCCC[C@H]2C[NH+]2CCOCC2)c(F)c1 ZINC000509698388 515295309 /nfs/dbraw/zinc/29/53/09/515295309.db2.gz NZNKRWVNAISVQC-ZDUSSCGKSA-N 1 2 355.385 2.560 20 5 FFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)c(F)c1 ZINC000509698388 515295317 /nfs/dbraw/zinc/29/53/17/515295317.db2.gz NZNKRWVNAISVQC-ZDUSSCGKSA-N 1 2 355.385 2.560 20 5 FFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCCC[C@H]2CN2CCOCC2)c(F)c1 ZINC000509698388 515295321 /nfs/dbraw/zinc/29/53/21/515295321.db2.gz NZNKRWVNAISVQC-ZDUSSCGKSA-N 1 2 355.385 2.560 20 5 FFBDLO CC[NH+](CC)[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC000505319264 515504863 /nfs/dbraw/zinc/50/48/63/515504863.db2.gz GAXZKMMRLOCJKF-INIZCTEOSA-N 1 2 371.437 2.983 20 5 FFBDLO O=C(C[NH2+][C@@H](CO)c1cccc(Cl)c1F)Nc1ccccc1[N+](=O)[O-] ZINC000499963970 515538743 /nfs/dbraw/zinc/53/87/43/515538743.db2.gz KYCWPXYAMHPTPZ-ZDUSSCGKSA-N 1 2 367.764 2.649 20 5 FFBDLO Cc1ccc([C@H](C)NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)cc1[N+](=O)[O-] ZINC000500100692 515591363 /nfs/dbraw/zinc/59/13/63/515591363.db2.gz TZBSVYASJBHXOJ-KSSFIOAISA-N 1 2 361.442 2.581 20 5 FFBDLO Cc1ccc([C@H](C)NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)cc1[N+](=O)[O-] ZINC000500100692 515591372 /nfs/dbraw/zinc/59/13/72/515591372.db2.gz TZBSVYASJBHXOJ-KSSFIOAISA-N 1 2 361.442 2.581 20 5 FFBDLO CC[C@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000493365548 515626745 /nfs/dbraw/zinc/62/67/45/515626745.db2.gz QUNSEXUJHGFBHA-GUYCJALGSA-N 1 2 353.850 2.791 20 5 FFBDLO Cc1ncc(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)o1 ZINC000459675360 515735405 /nfs/dbraw/zinc/73/54/05/515735405.db2.gz MCUAWZXWLSXIPL-UHFFFAOYSA-N 1 2 373.150 2.786 20 5 FFBDLO Cc1c(CNC(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)cccc1[N+](=O)[O-] ZINC000454858733 515794072 /nfs/dbraw/zinc/79/40/72/515794072.db2.gz RLEZJQWYCSZDCE-OAHLLOKOSA-N 1 2 357.414 2.929 20 5 FFBDLO C[C@@H]([NH2+][C@@H](C)c1ccn(C)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000459777394 515799529 /nfs/dbraw/zinc/79/95/29/515799529.db2.gz DTOQWZSOEWPMGI-VHSXEESVSA-N 1 2 351.794 2.660 20 5 FFBDLO C[C@H](C(=O)Nc1nc(C[NH+](C)C)cs1)c1ccc([N+](=O)[O-])cc1F ZINC000457317537 515806299 /nfs/dbraw/zinc/80/62/99/515806299.db2.gz SDVOSGHLAIVTQT-VIFPVBQESA-N 1 2 352.391 2.994 20 5 FFBDLO Cc1cc[nH+]cc1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000500662359 515807516 /nfs/dbraw/zinc/80/75/16/515807516.db2.gz HQZYWUBCKDDIMI-UHFFFAOYSA-N 1 2 360.801 2.914 20 5 FFBDLO COc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC000459887450 515872338 /nfs/dbraw/zinc/87/23/38/515872338.db2.gz PVMYGTQQBYIZEA-QGZVFWFLSA-N 1 2 373.384 2.871 20 5 FFBDLO COc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC000459887450 515872348 /nfs/dbraw/zinc/87/23/48/515872348.db2.gz PVMYGTQQBYIZEA-QGZVFWFLSA-N 1 2 373.384 2.871 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000469738423 515945208 /nfs/dbraw/zinc/94/52/08/515945208.db2.gz XWVAFMAHIZFJLJ-UHFFFAOYSA-N 1 2 358.320 2.858 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000469738423 515945213 /nfs/dbraw/zinc/94/52/13/515945213.db2.gz XWVAFMAHIZFJLJ-UHFFFAOYSA-N 1 2 358.320 2.858 20 5 FFBDLO CCN1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@H]1c1[nH]cc[nH+]1 ZINC000487725358 515955530 /nfs/dbraw/zinc/95/55/30/515955530.db2.gz QGHNLHNNYIWHRC-INIZCTEOSA-N 1 2 352.398 2.749 20 5 FFBDLO Cc1cc(F)ccc1C[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000488002467 516074076 /nfs/dbraw/zinc/07/40/76/516074076.db2.gz OGIRZIUVGMNKTC-UHFFFAOYSA-N 1 2 366.414 2.948 20 5 FFBDLO Cc1cc(F)ccc1C[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000488002467 516074083 /nfs/dbraw/zinc/07/40/83/516074083.db2.gz OGIRZIUVGMNKTC-UHFFFAOYSA-N 1 2 366.414 2.948 20 5 FFBDLO CCOC(=O)CCCNc1cc(CC)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000507132637 516100133 /nfs/dbraw/zinc/10/01/33/516100133.db2.gz OCLNRERFZFEXND-UHFFFAOYSA-N 1 2 358.398 2.791 20 5 FFBDLO Cn1c[nH+]cc1[C@H]1C[C@@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCO1 ZINC000470148396 516144437 /nfs/dbraw/zinc/14/44/37/516144437.db2.gz UWGBIMLPVAPGCW-XHDPSFHLSA-N 1 2 363.349 2.509 20 5 FFBDLO CCc1nocc1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000512119231 516159036 /nfs/dbraw/zinc/15/90/36/516159036.db2.gz RQLPXCAUHHPFCY-UHFFFAOYSA-N 1 2 355.354 2.603 20 5 FFBDLO CN(C)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c[nH+]1 ZINC000483857904 516228299 /nfs/dbraw/zinc/22/82/99/516228299.db2.gz PTFKIFSMEWRWDH-UHFFFAOYSA-N 1 2 366.324 2.587 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CCN(Cc3c[nH+]c4ccc(Cl)cn34)CC2)cn1 ZINC000535785750 516509224 /nfs/dbraw/zinc/50/92/24/516509224.db2.gz CPOFPPFYYZAGKF-UHFFFAOYSA-N 1 2 372.816 2.613 20 5 FFBDLO COC(=O)c1ccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c(F)c1 ZINC000547765522 516549864 /nfs/dbraw/zinc/54/98/64/516549864.db2.gz FDOBPMYDHKCVKR-UHFFFAOYSA-N 1 2 373.384 2.843 20 5 FFBDLO COc1cc(C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)ccc1[N+](=O)[O-] ZINC000561381376 516553217 /nfs/dbraw/zinc/55/32/17/516553217.db2.gz IJFLBRFEOKAFMB-UHFFFAOYSA-N 1 2 352.350 2.924 20 5 FFBDLO CCn1c(C)nc([N+](=O)[O-])c1Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000554675085 516581190 /nfs/dbraw/zinc/58/11/90/516581190.db2.gz GKNJRCBOBVBAQI-TXEJJXNPSA-N 1 2 360.418 2.872 20 5 FFBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000544145145 516612113 /nfs/dbraw/zinc/61/21/13/516612113.db2.gz IHOAOHDGYCIKMM-LBPRGKRZSA-N 1 2 364.348 2.671 20 5 FFBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000544145145 516612122 /nfs/dbraw/zinc/61/21/22/516612122.db2.gz IHOAOHDGYCIKMM-LBPRGKRZSA-N 1 2 364.348 2.671 20 5 FFBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCc3ccc(Br)cc3C2)c1 ZINC000551748256 516853095 /nfs/dbraw/zinc/85/30/95/516853095.db2.gz OENAGOHRZIICMO-UHFFFAOYSA-N 1 2 351.204 2.612 20 5 FFBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCc3ccc(Br)cc3C2)c1 ZINC000551748256 516853101 /nfs/dbraw/zinc/85/31/01/516853101.db2.gz OENAGOHRZIICMO-UHFFFAOYSA-N 1 2 351.204 2.612 20 5 FFBDLO COc1cc(C[N@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc(OC)c1 ZINC000514092280 516859256 /nfs/dbraw/zinc/85/92/56/516859256.db2.gz DHEJUIKVTYTGEC-UHFFFAOYSA-N 1 2 373.409 2.991 20 5 FFBDLO COc1cc(C[N@@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc(OC)c1 ZINC000514092280 516859263 /nfs/dbraw/zinc/85/92/63/516859263.db2.gz DHEJUIKVTYTGEC-UHFFFAOYSA-N 1 2 373.409 2.991 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000541267034 516957173 /nfs/dbraw/zinc/95/71/73/516957173.db2.gz QRKNFXNTBUUISU-UHFFFAOYSA-N 1 2 352.350 2.924 20 5 FFBDLO O=C(CSc1ccccc1[N+](=O)[O-])NCCc1cn2ccccc2[nH+]1 ZINC000541265329 516957270 /nfs/dbraw/zinc/95/72/70/516957270.db2.gz AEDQXGKNYVUTBY-UHFFFAOYSA-N 1 2 356.407 2.694 20 5 FFBDLO O=[N+]([O-])c1cc(F)c(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)c(F)c1 ZINC000551968556 516994971 /nfs/dbraw/zinc/99/49/71/516994971.db2.gz FQHZVRASOWEPIS-GFCCVEGCSA-N 1 2 356.369 2.891 20 5 FFBDLO Nc1nccc(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)c1[N+](=O)[O-] ZINC000548748259 517187985 /nfs/dbraw/zinc/18/79/85/517187985.db2.gz YINWGOSAKCCUNT-UHFFFAOYSA-N 1 2 351.322 2.842 20 5 FFBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2scnc2C2CC2)CC1 ZINC000552413489 517248535 /nfs/dbraw/zinc/24/85/35/517248535.db2.gz HUVIOBTWFQGBHS-UHFFFAOYSA-N 1 2 372.450 2.887 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]nc(-c3nc(Cc4cn5ccccc5[nH+]4)no3)c2c1 ZINC000545605844 517309135 /nfs/dbraw/zinc/30/91/35/517309135.db2.gz UTODZXFEJQLINL-UHFFFAOYSA-N 1 2 361.321 2.760 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000559762877 517417680 /nfs/dbraw/zinc/41/76/80/517417680.db2.gz OIZFSDYVTNLSRH-LBPRGKRZSA-N 1 2 362.386 2.850 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000559762877 517417687 /nfs/dbraw/zinc/41/76/87/517417687.db2.gz OIZFSDYVTNLSRH-LBPRGKRZSA-N 1 2 362.386 2.850 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000559762877 517417696 /nfs/dbraw/zinc/41/76/96/517417696.db2.gz OIZFSDYVTNLSRH-LBPRGKRZSA-N 1 2 362.386 2.850 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000559762877 517417703 /nfs/dbraw/zinc/41/77/03/517417703.db2.gz OIZFSDYVTNLSRH-LBPRGKRZSA-N 1 2 362.386 2.850 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](CC(=O)NCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000515668049 517442844 /nfs/dbraw/zinc/44/28/44/517442844.db2.gz ZYUJOYFAYXKJKB-GFCCVEGCSA-N 1 2 356.304 2.681 20 5 FFBDLO O=C(NCCOC1CCCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000516140734 517581835 /nfs/dbraw/zinc/58/18/35/517581835.db2.gz AWABHYBSRYJWLO-UHFFFAOYSA-N 1 2 358.398 2.860 20 5 FFBDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000533748842 517597155 /nfs/dbraw/zinc/59/71/55/517597155.db2.gz AIZVFSURBHFCDC-HNNXBMFYSA-N 1 2 365.393 2.953 20 5 FFBDLO O=[N+]([O-])c1cccc2ncnc(NCCc3[nH]c4ccc(F)cc4[nH+]3)c21 ZINC000542507599 517600622 /nfs/dbraw/zinc/60/06/22/517600622.db2.gz YTHJHDCMQFMNFP-UHFFFAOYSA-N 1 2 352.329 2.630 20 5 FFBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2c2ccc(Br)cn2)c1 ZINC000549687645 517658720 /nfs/dbraw/zinc/65/87/20/517658720.db2.gz MWZVKIBNUWYXLZ-AWEZNQCLSA-N 1 2 366.219 2.786 20 5 FFBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]2c2ccc(Br)cn2)c1 ZINC000549687645 517658725 /nfs/dbraw/zinc/65/87/25/517658725.db2.gz MWZVKIBNUWYXLZ-AWEZNQCLSA-N 1 2 366.219 2.786 20 5 FFBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)CCC2 ZINC000533914845 517667533 /nfs/dbraw/zinc/66/75/33/517667533.db2.gz OCVHLUKOKFUDGQ-HNNXBMFYSA-N 1 2 357.414 2.519 20 5 FFBDLO Cc1ccccc1[C@H](CO)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000542913234 517812164 /nfs/dbraw/zinc/81/21/64/517812164.db2.gz ICQIRNHNFMSVJH-INIZCTEOSA-N 1 2 354.366 2.776 20 5 FFBDLO COc1cc(N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000534335414 517857379 /nfs/dbraw/zinc/85/73/79/517857379.db2.gz DIFYNTXWICTDQS-ZFWWWQNUSA-N 1 2 353.394 2.798 20 5 FFBDLO Cc1[nH+]c2cc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)ccc2n1C ZINC000530960854 518071710 /nfs/dbraw/zinc/07/17/10/518071710.db2.gz KZGAQVQBYISXBP-UHFFFAOYSA-N 1 2 360.395 2.899 20 5 FFBDLO C[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535129386 518155842 /nfs/dbraw/zinc/15/58/42/518155842.db2.gz KEXIDSFYNRAGCH-ZFWWWQNUSA-N 1 2 366.780 2.891 20 5 FFBDLO C[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535129386 518155846 /nfs/dbraw/zinc/15/58/46/518155846.db2.gz KEXIDSFYNRAGCH-ZFWWWQNUSA-N 1 2 366.780 2.891 20 5 FFBDLO C[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535129382 518155854 /nfs/dbraw/zinc/15/58/54/518155854.db2.gz KEXIDSFYNRAGCH-HIFRSBDPSA-N 1 2 366.780 2.891 20 5 FFBDLO C[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535129382 518155856 /nfs/dbraw/zinc/15/58/56/518155856.db2.gz KEXIDSFYNRAGCH-HIFRSBDPSA-N 1 2 366.780 2.891 20 5 FFBDLO O=C(NCCCc1ccc(O)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000522841905 518169118 /nfs/dbraw/zinc/16/91/18/518169118.db2.gz VXYHKCGBYICBJT-UHFFFAOYSA-N 1 2 366.377 2.849 20 5 FFBDLO CC(C)n1ccc(CN[C@@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)n1 ZINC000581385577 518260387 /nfs/dbraw/zinc/26/03/87/518260387.db2.gz FENLXTHVTGBYLE-QGZVFWFLSA-N 1 2 354.414 2.985 20 5 FFBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC(F)(F)c2ccccc2)c1 ZINC000573111953 518513621 /nfs/dbraw/zinc/51/36/21/518513621.db2.gz XAGDQWWJLGGJGA-HNNXBMFYSA-N 1 2 352.337 2.716 20 5 FFBDLO O=C(C[N@@H+]1CCC=C(c2ccccn2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000564701991 518570856 /nfs/dbraw/zinc/57/08/56/518570856.db2.gz WCVQCAFUURKWOP-UHFFFAOYSA-N 1 2 364.405 2.668 20 5 FFBDLO O=C(C[N@H+]1CCC=C(c2ccccn2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000564701991 518570862 /nfs/dbraw/zinc/57/08/62/518570862.db2.gz WCVQCAFUURKWOP-UHFFFAOYSA-N 1 2 364.405 2.668 20 5 FFBDLO O=C(C[N@H+]1CCCCC[C@H]1CCO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000585754816 518584742 /nfs/dbraw/zinc/58/47/42/518584742.db2.gz BRSZUYDSERNCEL-LBPRGKRZSA-N 1 2 355.822 2.814 20 5 FFBDLO O=C(C[N@@H+]1CCCCC[C@H]1CCO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000585754816 518584745 /nfs/dbraw/zinc/58/47/45/518584745.db2.gz BRSZUYDSERNCEL-LBPRGKRZSA-N 1 2 355.822 2.814 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](c3cccnc3)C2)c([N+](=O)[O-])c1 ZINC000570798236 518785905 /nfs/dbraw/zinc/78/59/05/518785905.db2.gz VWUHWBWWNQIKFU-OAHLLOKOSA-N 1 2 370.409 2.817 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](c3cccnc3)C2)c([N+](=O)[O-])c1 ZINC000570798236 518785911 /nfs/dbraw/zinc/78/59/11/518785911.db2.gz VWUHWBWWNQIKFU-OAHLLOKOSA-N 1 2 370.409 2.817 20 5 FFBDLO Cn1c[nH+]cc1CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000568147491 518895808 /nfs/dbraw/zinc/89/58/08/518895808.db2.gz HOUFJEZGHOALEB-UHFFFAOYSA-N 1 2 366.377 2.837 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)c1 ZINC000589494349 519016596 /nfs/dbraw/zinc/01/65/96/519016596.db2.gz PMULCHMZEQJTOU-GOSISDBHSA-N 1 2 356.378 2.955 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCO[C@@H](c3ccccc3)C2)c1 ZINC000589494349 519016599 /nfs/dbraw/zinc/01/65/99/519016599.db2.gz PMULCHMZEQJTOU-GOSISDBHSA-N 1 2 356.378 2.955 20 5 FFBDLO O=C(Cc1c[nH+]cn1Cc1ccccc1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000582994267 519023934 /nfs/dbraw/zinc/02/39/34/519023934.db2.gz SZCJAIOAOXOHQK-UHFFFAOYSA-N 1 2 364.405 2.741 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H]1[C@H]1CCCOC1 ZINC000580200476 519058775 /nfs/dbraw/zinc/05/87/75/519058775.db2.gz VOORAEUSKKUAHA-HOTGVXAUSA-N 1 2 370.409 2.812 20 5 FFBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC(F)(F)c1ccccc1 ZINC000574393074 519133104 /nfs/dbraw/zinc/13/31/04/519133104.db2.gz KPFJTGKPOGOTKG-AWEZNQCLSA-N 1 2 352.337 2.716 20 5 FFBDLO COc1cccc2c1C[N@@H+]([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000590759814 519354397 /nfs/dbraw/zinc/35/43/97/519354397.db2.gz QJEITTMTZDNKHW-CYBMUJFWSA-N 1 2 355.394 2.989 20 5 FFBDLO COc1cccc2c1C[N@H+]([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000590759814 519354400 /nfs/dbraw/zinc/35/44/00/519354400.db2.gz QJEITTMTZDNKHW-CYBMUJFWSA-N 1 2 355.394 2.989 20 5 FFBDLO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000566271842 519404234 /nfs/dbraw/zinc/40/42/34/519404234.db2.gz ZHUINJZXUZZWFF-WMLDXEAASA-N 1 2 369.421 2.941 20 5 FFBDLO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000566271842 519404235 /nfs/dbraw/zinc/40/42/35/519404235.db2.gz ZHUINJZXUZZWFF-WMLDXEAASA-N 1 2 369.421 2.941 20 5 FFBDLO O=C(NCc1[nH+]ccn1CC(F)(F)F)Nc1ccc([N+](=O)[O-])cc1F ZINC000572412326 519599993 /nfs/dbraw/zinc/59/99/93/519599993.db2.gz CVLLBZUVZGQNOQ-UHFFFAOYSA-N 1 2 361.255 2.814 20 5 FFBDLO Cc1c(Br)c(N(C)CCCn2cc[nH+]c2)ncc1[N+](=O)[O-] ZINC000584139895 519608501 /nfs/dbraw/zinc/60/85/01/519608501.db2.gz IQITXMXIFUZSGU-UHFFFAOYSA-N 1 2 354.208 2.784 20 5 FFBDLO C[C@H](C(=O)NCC1CC[NH+](CC(F)F)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000566688068 519612318 /nfs/dbraw/zinc/61/23/18/519612318.db2.gz SSMJTHIZDBANDW-NSHDSACASA-N 1 2 373.375 2.931 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H](OC2CCC2)C1 ZINC000594390678 519936369 /nfs/dbraw/zinc/93/63/69/519936369.db2.gz WOXTVGYHQMBBAH-INIZCTEOSA-N 1 2 370.409 2.954 20 5 FFBDLO COc1cc(C(=O)NCCc2cn3cccc(C)c3[nH+]2)cc([N+](=O)[O-])c1C ZINC000616360976 519991041 /nfs/dbraw/zinc/99/10/41/519991041.db2.gz VYDOUDHMOOSXCF-UHFFFAOYSA-N 1 2 368.393 2.840 20 5 FFBDLO Cc1nc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000612576171 520030441 /nfs/dbraw/zinc/03/04/41/520030441.db2.gz QWMFPAGHYHCSJY-SNVBAGLBSA-N 1 2 369.468 2.793 20 5 FFBDLO Cc1cccc([C@@H]2C(=O)NCC[N@H+]2CCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000594629371 520061475 /nfs/dbraw/zinc/06/14/75/520061475.db2.gz GMIFBPVWYRDNTQ-LJQANCHMSA-N 1 2 369.421 2.845 20 5 FFBDLO Cc1cccc([C@@H]2C(=O)NCC[N@@H+]2CCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000594629371 520061482 /nfs/dbraw/zinc/06/14/82/520061482.db2.gz GMIFBPVWYRDNTQ-LJQANCHMSA-N 1 2 369.421 2.845 20 5 FFBDLO O=C(NCc1[nH+]ccn1CC(F)(F)F)c1ccc([N+](=O)[O-])cc1Cl ZINC000609037154 520181009 /nfs/dbraw/zinc/18/10/09/520181009.db2.gz BFOFULVGVOJNSW-UHFFFAOYSA-N 1 2 362.695 2.937 20 5 FFBDLO COc1cc(C[NH2+]Cc2c(OC)cccc2OC)c([N+](=O)[O-])cc1OC ZINC000594969017 520234737 /nfs/dbraw/zinc/23/47/37/520234737.db2.gz UUWIEQJNZZPTLW-UHFFFAOYSA-N 1 2 362.382 2.919 20 5 FFBDLO CCOc1cc(C(=O)Nc2ccc[nH+]c2N(C)C)c([N+](=O)[O-])cc1OC ZINC000603601159 520322466 /nfs/dbraw/zinc/32/24/66/520322466.db2.gz ACAWDNKFSFWEPF-UHFFFAOYSA-N 1 2 360.370 2.715 20 5 FFBDLO Cn1c(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000603699981 520346042 /nfs/dbraw/zinc/34/60/42/520346042.db2.gz KMVVTGYKWBNJQD-UHFFFAOYSA-N 1 2 357.414 2.639 20 5 FFBDLO Cc1nccc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000603833986 520370822 /nfs/dbraw/zinc/37/08/22/520370822.db2.gz BWKRIMITHDCEMF-UKRRQHHQSA-N 1 2 369.425 2.900 20 5 FFBDLO Cc1nccc([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000603833986 520370831 /nfs/dbraw/zinc/37/08/31/520370831.db2.gz BWKRIMITHDCEMF-UKRRQHHQSA-N 1 2 369.425 2.900 20 5 FFBDLO O=[N+]([O-])c1cc2c(cc1CNc1[nH+]cccc1OC(F)F)OCCO2 ZINC000613256187 520413320 /nfs/dbraw/zinc/41/33/20/520413320.db2.gz NKMUMUCQLYLJCY-UHFFFAOYSA-N 1 2 353.281 2.975 20 5 FFBDLO COC(=O)[C@H](CC(C)(C)C)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000592525149 520439856 /nfs/dbraw/zinc/43/98/56/520439856.db2.gz IOXHXVGLYQMNNK-DOMZBBRYSA-N 1 2 365.430 2.879 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@@H](CCO)C1 ZINC000609849087 520457362 /nfs/dbraw/zinc/45/73/62/520457362.db2.gz YSVQSZFGUXDENQ-RYUDHWBXSA-N 1 2 355.822 2.670 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@H](CCO)C1 ZINC000609849087 520457367 /nfs/dbraw/zinc/45/73/67/520457367.db2.gz YSVQSZFGUXDENQ-RYUDHWBXSA-N 1 2 355.822 2.670 20 5 FFBDLO Cc1cccn2cc(C[NH2+]Cc3cc4c(cc3[N+](=O)[O-])OCCO4)nc12 ZINC000609919263 520481686 /nfs/dbraw/zinc/48/16/86/520481686.db2.gz VKRCRTOTJFOKDU-UHFFFAOYSA-N 1 2 354.366 2.612 20 5 FFBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2nsc3ccccc23)CC1 ZINC000595523031 520527814 /nfs/dbraw/zinc/52/78/14/520527814.db2.gz GDIJALUPRBLSGP-UHFFFAOYSA-N 1 2 355.423 2.922 20 5 FFBDLO O=[N+]([O-])c1ccc(OC2CCN(c3cc(-n4cc[nH+]c4)ncn3)CC2)cc1 ZINC000610282632 520621389 /nfs/dbraw/zinc/62/13/89/520621389.db2.gz VMOLRJYSIURUSS-UHFFFAOYSA-N 1 2 366.381 2.618 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH+]2CCC(C3CCC3)CC2)cc1 ZINC000595660476 520628626 /nfs/dbraw/zinc/62/86/26/520628626.db2.gz RLQUIBOGGIZJKC-UHFFFAOYSA-N 1 2 352.456 2.881 20 5 FFBDLO COC(=O)[C@@H](c1cccc(OC)c1)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000595677279 520640973 /nfs/dbraw/zinc/64/09/73/520640973.db2.gz IMKQGSFQVNYEPR-GOSISDBHSA-N 1 2 374.393 2.828 20 5 FFBDLO COC(=O)[C@@H](c1cccc(OC)c1)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000595677279 520640979 /nfs/dbraw/zinc/64/09/79/520640979.db2.gz IMKQGSFQVNYEPR-GOSISDBHSA-N 1 2 374.393 2.828 20 5 FFBDLO C[C@@]12COC[C@]1(C)C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000595689313 520651509 /nfs/dbraw/zinc/65/15/09/520651509.db2.gz PLEVJLYCLCWXBH-IYBDPMFKSA-N 1 2 353.806 2.545 20 5 FFBDLO C[C@@]12COC[C@]1(C)C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000595689313 520651513 /nfs/dbraw/zinc/65/15/13/520651513.db2.gz PLEVJLYCLCWXBH-IYBDPMFKSA-N 1 2 353.806 2.545 20 5 FFBDLO CCOc1ccc(NC(=O)C[NH+]2C[C@@H](C)S[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000610394957 520663710 /nfs/dbraw/zinc/66/37/10/520663710.db2.gz UWBZLHXUHCLFKT-VXGBXAGGSA-N 1 2 353.444 2.758 20 5 FFBDLO COc1ccc2c(c1)CC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C2 ZINC000595760675 520706031 /nfs/dbraw/zinc/70/60/31/520706031.db2.gz VDXMGQUQVMRSNC-UHFFFAOYSA-N 1 2 355.394 2.909 20 5 FFBDLO COc1ccc2c(c1)CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C2 ZINC000595760675 520706039 /nfs/dbraw/zinc/70/60/39/520706039.db2.gz VDXMGQUQVMRSNC-UHFFFAOYSA-N 1 2 355.394 2.909 20 5 FFBDLO CCn1cc(C[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C(C)C)cn1 ZINC000593083065 520731174 /nfs/dbraw/zinc/73/11/74/520731174.db2.gz YKVCLULNNNPEQO-UHFFFAOYSA-N 1 2 359.430 2.969 20 5 FFBDLO CCn1cc(C[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C(C)C)cn1 ZINC000593083065 520731182 /nfs/dbraw/zinc/73/11/82/520731182.db2.gz YKVCLULNNNPEQO-UHFFFAOYSA-N 1 2 359.430 2.969 20 5 FFBDLO O=C1[C@@H]([N@@H+]2CCOC(C3CC3)(C3CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595821102 520745445 /nfs/dbraw/zinc/74/54/45/520745445.db2.gz ABKYOJNKLKFGSZ-SFHVURJKSA-N 1 2 371.437 2.591 20 5 FFBDLO O=C1[C@@H]([N@H+]2CCOC(C3CC3)(C3CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595821102 520745454 /nfs/dbraw/zinc/74/54/54/520745454.db2.gz ABKYOJNKLKFGSZ-SFHVURJKSA-N 1 2 371.437 2.591 20 5 FFBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCN(c2ccccc2)C1=O ZINC000610582032 520750530 /nfs/dbraw/zinc/75/05/30/520750530.db2.gz KUEOIPKATWNLEJ-INIZCTEOSA-N 1 2 366.377 2.973 20 5 FFBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCN(c2ccccc2)C1=O ZINC000610582032 520750535 /nfs/dbraw/zinc/75/05/35/520750535.db2.gz KUEOIPKATWNLEJ-INIZCTEOSA-N 1 2 366.377 2.973 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@]3(CC3(F)F)C2)c([N+](=O)[O-])c1 ZINC000593117323 520757592 /nfs/dbraw/zinc/75/75/92/520757592.db2.gz LZZLDPAGXNQBMI-ZUZCIYMTSA-N 1 2 355.341 2.662 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@]3(CC3(F)F)C2)c([N+](=O)[O-])c1 ZINC000593117323 520757596 /nfs/dbraw/zinc/75/75/96/520757596.db2.gz LZZLDPAGXNQBMI-ZUZCIYMTSA-N 1 2 355.341 2.662 20 5 FFBDLO C[C@@H](NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1[nH+]ccn1C ZINC000595846148 520761810 /nfs/dbraw/zinc/76/18/10/520761810.db2.gz VQFLLFWFGBOHTF-CYBMUJFWSA-N 1 2 373.413 2.642 20 5 FFBDLO O=C(Nc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000614009722 520762402 /nfs/dbraw/zinc/76/24/02/520762402.db2.gz AEOZFRGBRGTWNH-UHFFFAOYSA-N 1 2 371.393 2.509 20 5 FFBDLO CC[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H](CC)CN1C(C)=O ZINC000610605494 520762866 /nfs/dbraw/zinc/76/28/66/520762866.db2.gz UIJYUAQTVQKAKV-UONOGXRCSA-N 1 2 360.414 2.957 20 5 FFBDLO CC[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H](CC)CN1C(C)=O ZINC000610605494 520762872 /nfs/dbraw/zinc/76/28/72/520762872.db2.gz UIJYUAQTVQKAKV-UONOGXRCSA-N 1 2 360.414 2.957 20 5 FFBDLO COc1cc(NC[C@@]2([NH+]3CCOCC3)CCSC2)c([N+](=O)[O-])cc1C ZINC000596089595 520905262 /nfs/dbraw/zinc/90/52/62/520905262.db2.gz QBNBRVKTOMDJCT-KRWDZBQOSA-N 1 2 367.471 2.532 20 5 FFBDLO CNC(=O)c1ccc(NCc2ccc[nH+]c2N2CCCC2)c([N+](=O)[O-])c1 ZINC000596358110 521039581 /nfs/dbraw/zinc/03/95/81/521039581.db2.gz TXMLBEWEONZQRP-UHFFFAOYSA-N 1 2 355.398 2.562 20 5 FFBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCO[C@@H](C(F)F)CC2)cccc1[N+](=O)[O-] ZINC000601977126 521052940 /nfs/dbraw/zinc/05/29/40/521052940.db2.gz RLKDCRSUJRWGKM-SMDDNHRTSA-N 1 2 357.357 2.586 20 5 FFBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCO[C@@H](C(F)F)CC2)cccc1[N+](=O)[O-] ZINC000601977126 521052948 /nfs/dbraw/zinc/05/29/48/521052948.db2.gz RLKDCRSUJRWGKM-SMDDNHRTSA-N 1 2 357.357 2.586 20 5 FFBDLO Cc1cc(N2CC[C@H]3CC[C@@H](C2)[S@]3=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000599174292 521071751 /nfs/dbraw/zinc/07/17/51/521071751.db2.gz UDLSGXURDIWMSG-MOZQLWJVSA-N 1 2 372.450 2.850 20 5 FFBDLO O=C(Cc1cn2c([nH+]1)CCCC2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000593567528 521081676 /nfs/dbraw/zinc/08/16/76/521081676.db2.gz QKPAGDPEYXZTIU-UHFFFAOYSA-N 1 2 354.410 2.861 20 5 FFBDLO CCc1cc(N[C@H](C)c2[nH+]ccn2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596543185 521123757 /nfs/dbraw/zinc/12/37/57/521123757.db2.gz MVICRPIVKBWABD-GFCCVEGCSA-N 1 2 352.398 2.943 20 5 FFBDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000602083574 521132267 /nfs/dbraw/zinc/13/22/67/521132267.db2.gz MNPQQEVXZFXXJE-IBGZPJMESA-N 1 2 369.421 2.537 20 5 FFBDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000602083574 521132275 /nfs/dbraw/zinc/13/22/75/521132275.db2.gz MNPQQEVXZFXXJE-IBGZPJMESA-N 1 2 369.421 2.537 20 5 FFBDLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NCCc1ccccc1[N+](=O)[O-] ZINC000602107543 521146300 /nfs/dbraw/zinc/14/63/00/521146300.db2.gz GRSSRAHUEOBQIJ-ZDUSSCGKSA-N 1 2 356.304 2.644 20 5 FFBDLO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000596597428 521155190 /nfs/dbraw/zinc/15/51/90/521155190.db2.gz RTMJGVUGNAFGKJ-UHFFFAOYSA-N 1 2 368.397 2.952 20 5 FFBDLO CC1(C)Cc2n[nH]cc2C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000596597428 521155197 /nfs/dbraw/zinc/15/51/97/521155197.db2.gz RTMJGVUGNAFGKJ-UHFFFAOYSA-N 1 2 368.397 2.952 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596597732 521156386 /nfs/dbraw/zinc/15/63/86/521156386.db2.gz DRJPPSZEVWTXJA-UHFFFAOYSA-N 1 2 371.441 2.660 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596597732 521156394 /nfs/dbraw/zinc/15/63/94/521156394.db2.gz DRJPPSZEVWTXJA-UHFFFAOYSA-N 1 2 371.441 2.660 20 5 FFBDLO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000611640649 521261320 /nfs/dbraw/zinc/26/13/20/521261320.db2.gz BZFJHFPCBHAELI-GFCCVEGCSA-N 1 2 366.324 2.870 20 5 FFBDLO CN(C)c1nccc(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)n1 ZINC000602580825 521421014 /nfs/dbraw/zinc/42/10/14/521421014.db2.gz IARALBJQAZFJGA-UHFFFAOYSA-N 1 2 372.248 2.565 20 5 FFBDLO C[C@H]1C[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)c2ncnn21 ZINC000602709398 521489249 /nfs/dbraw/zinc/48/92/49/521489249.db2.gz SRNDASYPUNBQBK-RCOVLWMOSA-N 1 2 358.221 2.806 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCSC[C@H]3CO)cs2)c1 ZINC000602751673 521515113 /nfs/dbraw/zinc/51/51/13/521515113.db2.gz QVZCDIVBBQOBFI-CQSZACIVSA-N 1 2 351.453 2.628 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCSC[C@H]3CO)cs2)c1 ZINC000602751673 521515119 /nfs/dbraw/zinc/51/51/19/521515119.db2.gz QVZCDIVBBQOBFI-CQSZACIVSA-N 1 2 351.453 2.628 20 5 FFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000602766841 521521519 /nfs/dbraw/zinc/52/15/19/521521519.db2.gz FHGMZXVPFDWAFW-OAHLLOKOSA-N 1 2 350.806 2.827 20 5 FFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000602766841 521521523 /nfs/dbraw/zinc/52/15/23/521521523.db2.gz FHGMZXVPFDWAFW-OAHLLOKOSA-N 1 2 350.806 2.827 20 5 FFBDLO CCO[C@@H](C)c1nc(C[N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])cs1 ZINC000602786476 521531121 /nfs/dbraw/zinc/53/11/21/521531121.db2.gz WJCCAGAPEVPQQA-NSHDSACASA-N 1 2 353.448 2.786 20 5 FFBDLO CCO[C@@H](C)c1nc(C[N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])cs1 ZINC000602786476 521531124 /nfs/dbraw/zinc/53/11/24/521531124.db2.gz WJCCAGAPEVPQQA-NSHDSACASA-N 1 2 353.448 2.786 20 5 FFBDLO COC[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000602803777 521542229 /nfs/dbraw/zinc/54/22/29/521542229.db2.gz DLYSTPOWGNCVRB-CYBMUJFWSA-N 1 2 358.320 2.824 20 5 FFBDLO C[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000611104572 676017404 /nfs/dbraw/zinc/01/74/04/676017404.db2.gz OWSVGYJEIJBUED-DGCLKSJQSA-N 1 2 366.784 2.617 20 5 FFBDLO C[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000611104572 676017406 /nfs/dbraw/zinc/01/74/06/676017406.db2.gz OWSVGYJEIJBUED-DGCLKSJQSA-N 1 2 366.784 2.617 20 5 FFBDLO CCOC(=O)N[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000175092591 729087036 /nfs/dbraw/zinc/08/70/36/729087036.db2.gz YFLPJQOJTXDDKB-AWEZNQCLSA-N 1 2 351.403 2.704 20 5 FFBDLO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000175092591 729087039 /nfs/dbraw/zinc/08/70/39/729087039.db2.gz YFLPJQOJTXDDKB-AWEZNQCLSA-N 1 2 351.403 2.704 20 5 FFBDLO C[N@@H+](Cc1ccc([S@](C)=O)cc1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000176126512 729110005 /nfs/dbraw/zinc/11/00/05/729110005.db2.gz UWZFAINOMGRLCX-VWLOTQADSA-N 1 2 358.423 2.771 20 5 FFBDLO C[N@H+](Cc1ccc([S@](C)=O)cc1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000176126512 729110007 /nfs/dbraw/zinc/11/00/07/729110007.db2.gz UWZFAINOMGRLCX-VWLOTQADSA-N 1 2 358.423 2.771 20 5 FFBDLO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000859326756 730450237 /nfs/dbraw/zinc/45/02/37/730450237.db2.gz UNXJFDGFBVRDKQ-ZDUSSCGKSA-N 1 2 367.833 2.575 20 5 FFBDLO CC[C@]1(O)CCC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000879309760 732682060 /nfs/dbraw/zinc/68/20/60/732682060.db2.gz BBZVLWCJUNKHBM-ZBEGNZNMSA-N 1 2 355.822 2.812 20 5 FFBDLO CC[C@]1(O)CCC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000879309760 732682064 /nfs/dbraw/zinc/68/20/64/732682064.db2.gz BBZVLWCJUNKHBM-ZBEGNZNMSA-N 1 2 355.822 2.812 20 5 FFBDLO C[NH+](C)Cc1csc(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000927775617 738782133 /nfs/dbraw/zinc/78/21/33/738782133.db2.gz IFUQATWGZBYZDS-UHFFFAOYSA-N 1 2 354.819 2.696 20 5 FFBDLO Cc1[nH+]ccn1CCCN(C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000767448338 737326480 /nfs/dbraw/zinc/32/64/80/737326480.db2.gz DCZIFQKOKCCKPU-UHFFFAOYSA-N 1 2 365.821 2.714 20 5 FFBDLO C[C@@H](C[NH+]1CCOCC1)N(C)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000789763661 739385395 /nfs/dbraw/zinc/38/53/95/739385395.db2.gz OTDWVCRKIPEDPR-LBPRGKRZSA-N 1 2 372.263 2.510 20 5 FFBDLO C[C@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CCO1 ZINC000932334716 739433903 /nfs/dbraw/zinc/43/39/03/739433903.db2.gz DBCSBRFSZQGOFH-JTQLQIEISA-N 1 2 352.778 2.909 20 5 FFBDLO C[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CCO1 ZINC000932334716 739433908 /nfs/dbraw/zinc/43/39/08/739433908.db2.gz DBCSBRFSZQGOFH-JTQLQIEISA-N 1 2 352.778 2.909 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOC[C@H]1CC1CCOCC1 ZINC000934636128 739816950 /nfs/dbraw/zinc/81/69/50/739816950.db2.gz OVBIVMZBQBTNOA-QGZVFWFLSA-N 1 2 350.415 2.621 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOC[C@H]1CC1CCOCC1 ZINC000934636128 739816955 /nfs/dbraw/zinc/81/69/55/739816955.db2.gz OVBIVMZBQBTNOA-QGZVFWFLSA-N 1 2 350.415 2.621 20 5 FFBDLO C[N@@H+](Cc1nc(-c2cccs2)no1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796106157 740103277 /nfs/dbraw/zinc/10/32/77/740103277.db2.gz VMQPYKAOZDDTMC-CYBMUJFWSA-N 1 2 360.395 2.872 20 5 FFBDLO C[N@H+](Cc1nc(-c2cccs2)no1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796106157 740103280 /nfs/dbraw/zinc/10/32/80/740103280.db2.gz VMQPYKAOZDDTMC-CYBMUJFWSA-N 1 2 360.395 2.872 20 5 FFBDLO O=C(OCCCOCC(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000797134849 740216616 /nfs/dbraw/zinc/21/66/16/740216616.db2.gz KPMDVTQQDJEERX-UHFFFAOYSA-N 1 2 355.297 2.609 20 5 FFBDLO Cn1c[nH+]cc1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000811588897 741540911 /nfs/dbraw/zinc/54/09/11/741540911.db2.gz BZEGHBXMIALPRA-UHFFFAOYSA-N 1 2 373.594 2.674 20 5 FFBDLO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@@H]1CCCCS1 ZINC000813172642 741684691 /nfs/dbraw/zinc/68/46/91/741684691.db2.gz PKCQSQJFMAUEBY-HOTGVXAUSA-N 1 2 350.440 2.998 20 5 FFBDLO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@@H]1CCCCS1 ZINC000813172642 741684693 /nfs/dbraw/zinc/68/46/93/741684693.db2.gz PKCQSQJFMAUEBY-HOTGVXAUSA-N 1 2 350.440 2.998 20 5 FFBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2cccc(F)c2Cl)CC1 ZINC001005380686 742253471 /nfs/dbraw/zinc/25/34/71/742253471.db2.gz FYCUBFADOJIGDR-UKRRQHHQSA-N 1 2 369.824 2.567 20 5 FFBDLO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2cccc(Cl)c2F)CC1 ZINC001045436964 743273780 /nfs/dbraw/zinc/27/37/80/743273780.db2.gz ZJHKDTUWISGUML-TZMCWYRMSA-N 1 2 369.824 2.615 20 5 FFBDLO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2cccc(F)c2Cl)CC1 ZINC001045437322 743275061 /nfs/dbraw/zinc/27/50/61/743275061.db2.gz NMNGIYRMKQIGOR-TZMCWYRMSA-N 1 2 369.824 2.615 20 5 FFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000829617584 745232863 /nfs/dbraw/zinc/23/28/63/745232863.db2.gz YVZXJVWHMMXQFU-RWSFTLGLSA-N 1 2 353.806 2.686 20 5 FFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000829617584 745232868 /nfs/dbraw/zinc/23/28/68/745232868.db2.gz YVZXJVWHMMXQFU-RWSFTLGLSA-N 1 2 353.806 2.686 20 5 FFBDLO COc1ccc(OCC[N@H+](C)Cc2c(C)nn(C)c2Cl)c([N+](=O)[O-])c1 ZINC000839583335 746862863 /nfs/dbraw/zinc/86/28/63/746862863.db2.gz FMIUMHIMWRRMRB-UHFFFAOYSA-N 1 2 368.821 2.810 20 5 FFBDLO COc1ccc(OCC[N@@H+](C)Cc2c(C)nn(C)c2Cl)c([N+](=O)[O-])c1 ZINC000839583335 746862868 /nfs/dbraw/zinc/86/28/68/746862868.db2.gz FMIUMHIMWRRMRB-UHFFFAOYSA-N 1 2 368.821 2.810 20 5 FFBDLO C[C@H]1CC[N@H+](CC(=O)N[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)C1 ZINC000848224174 748880069 /nfs/dbraw/zinc/88/00/69/748880069.db2.gz LLFCTEUWJHXWTD-XPTSAGLGSA-N 1 2 363.311 2.795 20 5 FFBDLO C[C@H]1CC[N@@H+](CC(=O)N[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)C1 ZINC000848224174 748880073 /nfs/dbraw/zinc/88/00/73/748880073.db2.gz LLFCTEUWJHXWTD-XPTSAGLGSA-N 1 2 363.311 2.795 20 5 FFBDLO Cc1noc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000851847472 749702006 /nfs/dbraw/zinc/70/20/06/749702006.db2.gz FPOXUYVTTMFRTO-CMPLNLGQSA-N 1 2 354.407 2.626 20 5 FFBDLO Cc1noc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000851847472 749702012 /nfs/dbraw/zinc/70/20/12/749702012.db2.gz FPOXUYVTTMFRTO-CMPLNLGQSA-N 1 2 354.407 2.626 20 5 FFBDLO Cc1noc(C[NH+]2CCC(C)(NC(=O)OC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000851967166 749738385 /nfs/dbraw/zinc/73/83/85/749738385.db2.gz HPQQABSDNBIAHI-UHFFFAOYSA-N 1 2 354.407 2.770 20 5 FFBDLO COC(=O)c1cc([N+](=O)[O-])c(NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)cc1Cl ZINC000853798326 750167419 /nfs/dbraw/zinc/16/74/19/750167419.db2.gz DHLAMHQYRBMGNJ-QWRGUYRKSA-N 1 2 371.821 2.556 20 5 FFBDLO COC(=O)c1cc([N+](=O)[O-])c(NCC[N@H+]2C[C@H](C)OC[C@@H]2C)cc1Cl ZINC000853798326 750167422 /nfs/dbraw/zinc/16/74/22/750167422.db2.gz DHLAMHQYRBMGNJ-QWRGUYRKSA-N 1 2 371.821 2.556 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)CN(c1nc(NCCO)c3ccccc3[nH+]1)CC2 ZINC000531787332 888798457 /nfs/dbraw/zinc/79/84/57/888798457.db2.gz CORIQULUXHWUPV-UHFFFAOYSA-N 1 2 365.393 2.505 20 5 FFBDLO CCn1c[nH+]c2c1CCN(c1c3cc(OC)ccc3ncc1[N+](=O)[O-])C2 ZINC000896650100 971651070 /nfs/dbraw/zinc/65/10/70/971651070.db2.gz COCJFZAXBSONJL-UHFFFAOYSA-N 1 2 353.382 2.931 20 5 FFBDLO COc1ccccc1OCC[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000053682221 971842479 /nfs/dbraw/zinc/84/24/79/971842479.db2.gz HQMASELNHSUVHO-UHFFFAOYSA-N 1 2 359.382 2.553 20 5 FFBDLO COc1ccccc1OCC[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000053682221 971842481 /nfs/dbraw/zinc/84/24/81/971842481.db2.gz HQMASELNHSUVHO-UHFFFAOYSA-N 1 2 359.382 2.553 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2cnn(C[N@H+]3C[C@@H](CO)[C@H](C(F)(F)F)C3)c2)c1 ZINC000872688027 1013248892 /nfs/dbraw/zinc/24/88/92/1013248892.db2.gz FRPOBINUDKZMNR-DZGCQCFKSA-N 1 2 370.331 2.518 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3C[C@@H](CO)[C@H](C(F)(F)F)C3)c2)c1 ZINC000872688027 1013248904 /nfs/dbraw/zinc/24/89/04/1013248904.db2.gz FRPOBINUDKZMNR-DZGCQCFKSA-N 1 2 370.331 2.518 20 5 FFBDLO O=C1C[C@@H](C2CC2)CN1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000134788907 965444353 /nfs/dbraw/zinc/44/43/53/965444353.db2.gz YHHIECLVFRMAHZ-OAHLLOKOSA-N 1 2 359.426 2.654 20 5 FFBDLO C[C@H]1CCN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000892909508 970365808 /nfs/dbraw/zinc/36/58/08/970365808.db2.gz MCFBXCNYMIGWHO-BBRMVZONSA-N 1 2 367.409 2.731 20 5 FFBDLO C[C@H]1CN(CC(F)(F)F)CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000840145576 970504146 /nfs/dbraw/zinc/50/41/46/970504146.db2.gz QOUDBABAUTZMTA-LBPRGKRZSA-N 1 2 371.363 2.718 20 5 FFBDLO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000840145576 970504152 /nfs/dbraw/zinc/50/41/52/970504152.db2.gz QOUDBABAUTZMTA-LBPRGKRZSA-N 1 2 371.363 2.718 20 5 FFBDLO COc1cc(C[N@@H+]2CCCC[C@@H]2COC(=O)N(C)C)c([N+](=O)[O-])cc1F ZINC000796554235 1014276988 /nfs/dbraw/zinc/27/69/88/1014276988.db2.gz ONVVKUHJIOJMBX-CYBMUJFWSA-N 1 2 369.393 2.795 20 5 FFBDLO COc1cc(C[N@H+]2CCCC[C@@H]2COC(=O)N(C)C)c([N+](=O)[O-])cc1F ZINC000796554235 1014276996 /nfs/dbraw/zinc/27/69/96/1014276996.db2.gz ONVVKUHJIOJMBX-CYBMUJFWSA-N 1 2 369.393 2.795 20 5 FFBDLO O=[N+]([O-])c1ccc(OC2C[NH+](C[C@H](O)CC[C@@H](O)c3ccccc3)C2)cc1 ZINC000899882716 977378557 /nfs/dbraw/zinc/37/85/57/977378557.db2.gz BJXZQFDAFFELER-YLJYHZDGSA-N 1 2 372.421 2.533 20 5 FFBDLO Cc1nn(C)c(C)c1CCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178894050 978393941 /nfs/dbraw/zinc/39/39/41/978393941.db2.gz RVCXYPCXQCRTAT-UHFFFAOYSA-N 1 2 369.381 2.530 20 5 FFBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)c1 ZINC000157861909 984695641 /nfs/dbraw/zinc/69/56/41/984695641.db2.gz XMBZMYPXNYWJOA-ICSRJNTNSA-N 1 2 372.421 2.798 20 5 FFBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)c1 ZINC000157861909 984695645 /nfs/dbraw/zinc/69/56/45/984695645.db2.gz XMBZMYPXNYWJOA-ICSRJNTNSA-N 1 2 372.421 2.798 20 5 FFBDLO C[C@@H](O)c1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000171133556 985221162 /nfs/dbraw/zinc/22/11/62/985221162.db2.gz USLGQDYVJGRBOZ-CYBMUJFWSA-N 1 2 366.377 2.764 20 5 FFBDLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000672149117 987204861 /nfs/dbraw/zinc/20/48/61/987204861.db2.gz GLUYYPGEQSNPHO-AWEZNQCLSA-N 1 2 358.401 2.623 20 5 FFBDLO CN(CCc1nccs1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001127292981 987638870 /nfs/dbraw/zinc/63/88/70/987638870.db2.gz NKMNZXGNZARSSP-UHFFFAOYSA-N 1 2 357.395 2.552 20 5 FFBDLO CO[C@H]1C[C@@H]2C[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])Cc3cccnc3N2C1 ZINC000879267036 1015447649 /nfs/dbraw/zinc/44/76/49/1015447649.db2.gz UGHMGVSTYSQTNZ-SJORKVTESA-N 1 2 372.400 2.738 20 5 FFBDLO CO[C@H]1C[C@@H]2C[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])Cc3cccnc3N2C1 ZINC000879267036 1015447654 /nfs/dbraw/zinc/44/76/54/1015447654.db2.gz UGHMGVSTYSQTNZ-SJORKVTESA-N 1 2 372.400 2.738 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)n2)cc1 ZINC000811789869 995262645 /nfs/dbraw/zinc/26/26/45/995262645.db2.gz ILUQQVBUMORENH-IRXDYDNUSA-N 1 2 369.425 2.844 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)n2)cc1 ZINC000811789869 995262655 /nfs/dbraw/zinc/26/26/55/995262655.db2.gz ILUQQVBUMORENH-IRXDYDNUSA-N 1 2 369.425 2.844 20 5 FFBDLO CC(C)c1cc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000813173383 995633567 /nfs/dbraw/zinc/63/35/67/995633567.db2.gz BEANARRAMXZHKH-HNNXBMFYSA-N 1 2 358.398 2.873 20 5 FFBDLO CC(C)c1cc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000813173383 995633571 /nfs/dbraw/zinc/63/35/71/995633571.db2.gz BEANARRAMXZHKH-HNNXBMFYSA-N 1 2 358.398 2.873 20 5 FFBDLO CCCc1nc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)co1 ZINC000813173014 995633819 /nfs/dbraw/zinc/63/38/19/995633819.db2.gz QRGMFJWJZZEYMD-HNNXBMFYSA-N 1 2 359.382 2.967 20 5 FFBDLO CCCc1nc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)co1 ZINC000813173014 995633823 /nfs/dbraw/zinc/63/38/23/995633823.db2.gz QRGMFJWJZZEYMD-HNNXBMFYSA-N 1 2 359.382 2.967 20 5 FFBDLO CCOc1ncccc1C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173062 995633885 /nfs/dbraw/zinc/63/38/85/995633885.db2.gz SPKYXUNNBWKADN-INIZCTEOSA-N 1 2 371.393 2.820 20 5 FFBDLO CCOc1ncccc1C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173062 995633888 /nfs/dbraw/zinc/63/38/88/995633888.db2.gz SPKYXUNNBWKADN-INIZCTEOSA-N 1 2 371.393 2.820 20 5 FFBDLO C[C@@H]1CC(=O)CC[C@@H]1C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171873 995633895 /nfs/dbraw/zinc/63/38/95/995633895.db2.gz WGIROEPDBQFCSJ-BVGQSLNGSA-N 1 2 360.410 2.718 20 5 FFBDLO C[C@@H]1CC(=O)CC[C@@H]1C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171873 995633899 /nfs/dbraw/zinc/63/38/99/995633899.db2.gz WGIROEPDBQFCSJ-BVGQSLNGSA-N 1 2 360.410 2.718 20 5 FFBDLO O=C(NCc1ccc2c(c1)C[N@@H+](Cc1ccc(F)cc1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001054264909 1015996581 /nfs/dbraw/zinc/99/65/81/1015996581.db2.gz VYYLFPHJUHKWBT-RTBURBONSA-N 1 2 369.396 2.623 20 5 FFBDLO O=C(NCc1ccc2c(c1)C[N@H+](Cc1ccc(F)cc1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001054264909 1015996586 /nfs/dbraw/zinc/99/65/86/1015996586.db2.gz VYYLFPHJUHKWBT-RTBURBONSA-N 1 2 369.396 2.623 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CCCC[C@H]3C3OCCO3)c2)cc1 ZINC000742150335 999761817 /nfs/dbraw/zinc/76/18/17/999761817.db2.gz CYQJDGKMWWJNAK-KRWDZBQOSA-N 1 2 358.398 2.643 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3CCCC[C@H]3C3OCCO3)c2)cc1 ZINC000742150335 999761818 /nfs/dbraw/zinc/76/18/18/999761818.db2.gz CYQJDGKMWWJNAK-KRWDZBQOSA-N 1 2 358.398 2.643 20 5 FFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000743839541 999833387 /nfs/dbraw/zinc/83/33/87/999833387.db2.gz JPTRVXLTJCUQOY-ZDUSSCGKSA-N 1 2 357.370 2.781 20 5 FFBDLO CC[N@@H+]1CCCC[C@H]1C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000745084813 999894269 /nfs/dbraw/zinc/89/42/69/999894269.db2.gz BLZLVLSGLSFVFI-AWEZNQCLSA-N 1 2 360.370 2.562 20 5 FFBDLO CC[N@H+]1CCCC[C@H]1C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000745084813 999894272 /nfs/dbraw/zinc/89/42/72/999894272.db2.gz BLZLVLSGLSFVFI-AWEZNQCLSA-N 1 2 360.370 2.562 20 5 FFBDLO COc1cccc(C(=O)NCCn2c[nH+]cc2-c2ccccc2)c1[N+](=O)[O-] ZINC001169157883 1000028658 /nfs/dbraw/zinc/02/86/58/1000028658.db2.gz CDFLKJMGGHDDDW-UHFFFAOYSA-N 1 2 366.377 2.897 20 5 FFBDLO Cc1ccc([C@@H](CNc2ccc(N)cc2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000804362150 1000159862 /nfs/dbraw/zinc/15/98/62/1000159862.db2.gz SYENRHKFBOHVOO-LJQANCHMSA-N 1 2 356.426 2.971 20 5 FFBDLO O=C(Nc1ccccn1)[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000768347868 1000232904 /nfs/dbraw/zinc/23/29/04/1000232904.db2.gz WGMLHSMXTVQELF-CYBMUJFWSA-N 1 2 356.382 2.546 20 5 FFBDLO O=C(Nc1ccccn1)[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000768347868 1000232910 /nfs/dbraw/zinc/23/29/10/1000232910.db2.gz WGMLHSMXTVQELF-CYBMUJFWSA-N 1 2 356.382 2.546 20 5 FFBDLO O=C(O[C@@H](C(F)F)[C@@H]1CCCO1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000774450527 1001915235 /nfs/dbraw/zinc/91/52/35/1001915235.db2.gz PVIVXAXWWACUBT-UONOGXRCSA-N 1 2 367.308 2.750 20 5 FFBDLO COc1ccc(C[C@H](C)[NH+]2CCN(C(=O)C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC001170354655 1003121707 /nfs/dbraw/zinc/12/17/07/1003121707.db2.gz NMXPUMGNHNPBEB-AWEZNQCLSA-N 1 2 363.458 2.725 20 5 FFBDLO COCc1cnc2n1CC[N@H+]([C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])[C@@H]2C ZINC001170341399 1003129474 /nfs/dbraw/zinc/12/94/74/1003129474.db2.gz QCZHHRXIVVVQCV-ZIAGYGMSSA-N 1 2 374.441 2.954 20 5 FFBDLO COCc1cnc2n1CC[N@@H+]([C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])[C@@H]2C ZINC001170341399 1003129480 /nfs/dbraw/zinc/12/94/80/1003129480.db2.gz QCZHHRXIVVVQCV-ZIAGYGMSSA-N 1 2 374.441 2.954 20 5 FFBDLO COc1ccc(C[C@H](C)[NH+]2CC(N3CCC(F)(F)C3)C2)c([N+](=O)[O-])c1 ZINC001170348155 1003134273 /nfs/dbraw/zinc/13/42/73/1003134273.db2.gz VJEHSNGGKLZRFR-LBPRGKRZSA-N 1 2 355.385 2.560 20 5 FFBDLO CNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001196942543 1004018974 /nfs/dbraw/zinc/01/89/74/1004018974.db2.gz CWVGPSFHRNGKNC-MRXNPFEDSA-N 1 2 373.413 2.533 20 5 FFBDLO CNC(=O)NC[C@H]1CCCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001196942543 1004018985 /nfs/dbraw/zinc/01/89/85/1004018985.db2.gz CWVGPSFHRNGKNC-MRXNPFEDSA-N 1 2 373.413 2.533 20 5 FFBDLO Cc1cc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)c(C)cc1[N+](=O)[O-] ZINC001194517822 1004741654 /nfs/dbraw/zinc/74/16/54/1004741654.db2.gz YCLZOYUNKNLDLR-MRXNPFEDSA-N 1 2 369.487 2.562 20 5 FFBDLO Cc1cc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C(C)(C)C)C2)c(C)cc1[N+](=O)[O-] ZINC001194517822 1004741655 /nfs/dbraw/zinc/74/16/55/1004741655.db2.gz YCLZOYUNKNLDLR-MRXNPFEDSA-N 1 2 369.487 2.562 20 5 FFBDLO CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776580352 1005960334 /nfs/dbraw/zinc/96/03/34/1005960334.db2.gz XDMWRDCDZUBOFU-KRWDZBQOSA-N 1 2 368.393 2.799 20 5 FFBDLO CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776580352 1005960337 /nfs/dbraw/zinc/96/03/37/1005960337.db2.gz XDMWRDCDZUBOFU-KRWDZBQOSA-N 1 2 368.393 2.799 20 5 FFBDLO C[NH+](C)CCOc1ccc(/C=C\C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000776676471 1006391073 /nfs/dbraw/zinc/39/10/73/1006391073.db2.gz MHGHFDXCHDTCKG-YHYXMXQVSA-N 1 2 371.393 2.893 20 5 FFBDLO O=C(N[C@@H](C1CC1)[C@@H]1CCCOC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000885485457 1007726800 /nfs/dbraw/zinc/72/68/00/1007726800.db2.gz GACRNIQXJQOGMW-QAPCUYQASA-N 1 2 370.409 2.716 20 5 FFBDLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000857984604 1008268428 /nfs/dbraw/zinc/26/84/28/1008268428.db2.gz CAVJTOQYRVRLAE-LLVKDONJSA-N 1 2 370.287 2.607 20 5 FFBDLO C[C@H](CN1CCOCC1)[N@H+](Cc1ccccc1)Cc1cccnc1[N+](=O)[O-] ZINC000886003655 1008515974 /nfs/dbraw/zinc/51/59/74/1008515974.db2.gz IPIHMQLSQXCANZ-QGZVFWFLSA-N 1 2 370.453 2.713 20 5 FFBDLO C[C@H](CN1CCOCC1)[N@@H+](Cc1ccccc1)Cc1cccnc1[N+](=O)[O-] ZINC000886003655 1008515979 /nfs/dbraw/zinc/51/59/79/1008515979.db2.gz IPIHMQLSQXCANZ-QGZVFWFLSA-N 1 2 370.453 2.713 20 5 FFBDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)Cc1cccnc1[N+](=O)[O-] ZINC000886003655 1008515984 /nfs/dbraw/zinc/51/59/84/1008515984.db2.gz IPIHMQLSQXCANZ-QGZVFWFLSA-N 1 2 370.453 2.713 20 5 FFBDLO C[C@@H](CN1CCOCC1)[N@H+](Cc1ccccc1)Cc1cccnc1[N+](=O)[O-] ZINC000886003654 1008516161 /nfs/dbraw/zinc/51/61/61/1008516161.db2.gz IPIHMQLSQXCANZ-KRWDZBQOSA-N 1 2 370.453 2.713 20 5 FFBDLO C[C@@H](CN1CCOCC1)[N@@H+](Cc1ccccc1)Cc1cccnc1[N+](=O)[O-] ZINC000886003654 1008516167 /nfs/dbraw/zinc/51/61/67/1008516167.db2.gz IPIHMQLSQXCANZ-KRWDZBQOSA-N 1 2 370.453 2.713 20 5 FFBDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)Cc1cccnc1[N+](=O)[O-] ZINC000886003654 1008516172 /nfs/dbraw/zinc/51/61/72/1008516172.db2.gz IPIHMQLSQXCANZ-KRWDZBQOSA-N 1 2 370.453 2.713 20 5 FFBDLO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+](Cc2cccnc2[N+](=O)[O-])C2CC2)C1 ZINC000886081390 1008537118 /nfs/dbraw/zinc/53/71/18/1008537118.db2.gz OIJFWCJASSJXRI-OAHLLOKOSA-N 1 2 362.430 2.964 20 5 FFBDLO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+](Cc2cccnc2[N+](=O)[O-])C2CC2)C1 ZINC000886081390 1008537123 /nfs/dbraw/zinc/53/71/23/1008537123.db2.gz OIJFWCJASSJXRI-OAHLLOKOSA-N 1 2 362.430 2.964 20 5 FFBDLO CC(C)(C)OC(=O)N1C[C@@H]2CCC[N@H+](Cc3cccnc3[N+](=O)[O-])[C@@H]2C1 ZINC000886237151 1008608767 /nfs/dbraw/zinc/60/87/67/1008608767.db2.gz XBUYEQFWPLUWDH-DZGCQCFKSA-N 1 2 362.430 2.821 20 5 FFBDLO CC(C)(C)OC(=O)N1C[C@@H]2CCC[N@@H+](Cc3cccnc3[N+](=O)[O-])[C@@H]2C1 ZINC000886237151 1008608774 /nfs/dbraw/zinc/60/87/74/1008608774.db2.gz XBUYEQFWPLUWDH-DZGCQCFKSA-N 1 2 362.430 2.821 20 5 FFBDLO Cc1cc(C(=O)NCCNc2cc(C)[nH+]c(C(C)C)n2)c(N)c([N+](=O)[O-])c1 ZINC000862859288 1010019095 /nfs/dbraw/zinc/01/90/95/1010019095.db2.gz BNWLIOLWAPELLY-UHFFFAOYSA-N 1 2 372.429 2.549 20 5 FFBDLO Cc1nn(C[NH+]2CCC(Cc3nc(C4CCC4)no3)CC2)c(C)c1[N+](=O)[O-] ZINC000863315570 1010172610 /nfs/dbraw/zinc/17/26/10/1010172610.db2.gz BZPIQUJMJHRGSC-UHFFFAOYSA-N 1 2 374.445 2.971 20 5 FFBDLO CC(C)(CCC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1)[N+](=O)[O-] ZINC000863482051 1010223353 /nfs/dbraw/zinc/22/33/53/1010223353.db2.gz QSRQSQWDAFWVOY-UHFFFAOYSA-N 1 2 358.442 2.648 20 5 FFBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000120272573 1010603321 /nfs/dbraw/zinc/60/33/21/1010603321.db2.gz VKYQJHCOBAOOSU-AWEZNQCLSA-N 1 2 351.362 2.638 20 5 FFBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000120272573 1010603336 /nfs/dbraw/zinc/60/33/36/1010603336.db2.gz VKYQJHCOBAOOSU-AWEZNQCLSA-N 1 2 351.362 2.638 20 5 FFBDLO COC(=O)[C@@](C)(Cc1ccc(O)cc1)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173214621 1012368993 /nfs/dbraw/zinc/36/89/93/1012368993.db2.gz CYEPMRPLXIRWPJ-VBKZILBWSA-N 1 2 372.421 2.995 20 5 FFBDLO COC(=O)Cc1ccc(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000827760576 1018641690 /nfs/dbraw/zinc/64/16/90/1018641690.db2.gz KNJREJPPEIAKIL-CXAGYDPISA-N 1 2 358.398 2.594 20 5 FFBDLO COC(=O)Cc1ccc(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000827760577 1018641873 /nfs/dbraw/zinc/64/18/73/1018641873.db2.gz KNJREJPPEIAKIL-DYVFJYSZSA-N 1 2 358.398 2.594 20 5 FFBDLO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCN(c3c(F)cccc3F)CC2)cc1 ZINC000828832590 1032859825 /nfs/dbraw/zinc/85/98/25/1032859825.db2.gz XTJKWKOAPTYYFN-KRWDZBQOSA-N 1 2 363.364 2.729 20 5 FFBDLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H]([C@@H]2CCCO2)C1 ZINC000933182873 1020973043 /nfs/dbraw/zinc/97/30/43/1020973043.db2.gz ZQSVEGBRAPKNSH-DQYPLSBCSA-N 1 2 366.389 2.667 20 5 FFBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H]([C@@H]2CCCO2)C1 ZINC000933182873 1020973047 /nfs/dbraw/zinc/97/30/47/1020973047.db2.gz ZQSVEGBRAPKNSH-DQYPLSBCSA-N 1 2 366.389 2.667 20 5 FFBDLO CCCSc1nc(O[C@H]2CCC[C@@]23CC[NH2+]C3)c([N+](=O)[O-])c(=O)[nH]1 ZINC001218091462 1032990267 /nfs/dbraw/zinc/99/02/67/1032990267.db2.gz KHOVGIBIRUIRNU-BONVTDFDSA-N 1 2 354.432 2.504 20 5 FFBDLO Cc1cc2nc3nc(=O)[nH]c(O[C@@H]4CCC[C@@]45CC[NH2+]C5)c3nc2cc1C ZINC001218092373 1032991494 /nfs/dbraw/zinc/99/14/94/1032991494.db2.gz HPRDUMPGQIDDIA-QRWLVFNGSA-N 1 2 365.437 2.806 20 5 FFBDLO CCCSc1nc(OC2CC3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c(=O)[nH]1 ZINC001218255762 1033070508 /nfs/dbraw/zinc/07/05/08/1033070508.db2.gz KONAHRWURHMQPK-UHFFFAOYSA-N 1 2 354.432 2.504 20 5 FFBDLO Cc1ccc(N2CC[NH+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CC2)cc1 ZINC000753587978 1023355651 /nfs/dbraw/zinc/35/56/51/1023355651.db2.gz UURPNQXMGIUSPG-UHFFFAOYSA-N 1 2 369.421 2.997 20 5 FFBDLO COC(=O)/C=C\c1ccc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000753819656 1023385995 /nfs/dbraw/zinc/38/59/95/1023385995.db2.gz GBMGOHUQCHRFPZ-DDJMYBDESA-N 1 2 368.393 2.867 20 5 FFBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000195526896 1025029060 /nfs/dbraw/zinc/02/90/60/1025029060.db2.gz PLCNRCQMCIDUSF-UHFFFAOYSA-N 1 2 362.336 2.798 20 5 FFBDLO CC(C)C[C@H]1NC(=O)N(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000840122438 1026968334 /nfs/dbraw/zinc/96/83/34/1026968334.db2.gz DCILJOAASBTKDZ-DOTOQJQBSA-N 1 2 374.441 2.698 20 5 FFBDLO CC(C)C[C@H]1NC(=O)N(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000840122438 1026968343 /nfs/dbraw/zinc/96/83/43/1026968343.db2.gz DCILJOAASBTKDZ-DOTOQJQBSA-N 1 2 374.441 2.698 20 5 FFBDLO COC(=O)c1ccnc(N[C@@H](C)c2c[nH+]c3c(C)cccn23)c1[N+](=O)[O-] ZINC001160686908 1027803653 /nfs/dbraw/zinc/80/36/53/1027803653.db2.gz RTUMOBIDDQDPQY-NSHDSACASA-N 1 2 355.354 2.906 20 5 FFBDLO COc1ccc(Cn2c[nH+]cc2CNc2ncc([N+](=O)[O-])cc2F)cc1 ZINC001161508091 1028207116 /nfs/dbraw/zinc/20/71/16/1028207116.db2.gz ZKPKETQQWLVOAE-UHFFFAOYSA-N 1 2 357.345 2.994 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000780762421 1028799529 /nfs/dbraw/zinc/79/95/29/1028799529.db2.gz GSJUBUQUAHKSAM-QZTJIDSGSA-N 1 2 352.394 2.741 20 5 FFBDLO C[C@@H]1C[C@H]1c1cc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n[nH]1 ZINC001163246607 1028853682 /nfs/dbraw/zinc/85/36/82/1028853682.db2.gz BDMWRWSBHRLUCG-ZYHUDNBSSA-N 1 2 352.354 2.879 20 5 FFBDLO Cc1ccc(C[N@@H+]2CCO[C@H](CNc3cc(C)c([N+](=O)[O-])cn3)C2)cc1 ZINC001163942448 1029123267 /nfs/dbraw/zinc/12/32/67/1029123267.db2.gz YCEHZCRFCLQLGW-QGZVFWFLSA-N 1 2 356.426 2.920 20 5 FFBDLO Cc1ccc(C[N@H+]2CCO[C@H](CNc3cc(C)c([N+](=O)[O-])cn3)C2)cc1 ZINC001163942448 1029123273 /nfs/dbraw/zinc/12/32/73/1029123273.db2.gz YCEHZCRFCLQLGW-QGZVFWFLSA-N 1 2 356.426 2.920 20 5 FFBDLO CCc1cc(N2CC[NH2+]CC(F)(F)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164497041 1029300611 /nfs/dbraw/zinc/30/06/11/1029300611.db2.gz BBAIBWRBHOKZNT-UHFFFAOYSA-N 1 2 363.368 2.659 20 5 FFBDLO COc1cc(N2CCN(c3nccc4cc([N+](=O)[O-])ccc43)CC2)cc[nH+]1 ZINC001158098589 1029732579 /nfs/dbraw/zinc/73/25/79/1029732579.db2.gz QESWQGGMCSUFTF-UHFFFAOYSA-N 1 2 365.393 2.873 20 5 FFBDLO O=[N+]([O-])c1ccnc(Cl)c1OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001225431846 1034250823 /nfs/dbraw/zinc/25/08/23/1034250823.db2.gz VYMPLPXKYGZCLU-CQSZACIVSA-N 1 2 363.801 2.923 20 5 FFBDLO O=[N+]([O-])c1ccnc(Cl)c1OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001225431846 1034250838 /nfs/dbraw/zinc/25/08/38/1034250838.db2.gz VYMPLPXKYGZCLU-CQSZACIVSA-N 1 2 363.801 2.923 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c1F ZINC000834560125 1035407377 /nfs/dbraw/zinc/40/73/77/1035407377.db2.gz WHPOFFFUQMMBBI-NSHDSACASA-N 1 2 364.352 2.935 20 5 FFBDLO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-] ZINC001228860669 1036367896 /nfs/dbraw/zinc/36/78/96/1036367896.db2.gz WUNQZZQQOOLDDB-WOFXILAISA-N 1 2 361.320 2.823 20 5 FFBDLO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-] ZINC001228860669 1036367911 /nfs/dbraw/zinc/36/79/11/1036367911.db2.gz WUNQZZQQOOLDDB-WOFXILAISA-N 1 2 361.320 2.823 20 5 FFBDLO O=[N+]([O-])c1c(O)cc(O)cc1OC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001228974654 1036443880 /nfs/dbraw/zinc/44/38/80/1036443880.db2.gz VLFSELJYYGSXCS-MRXNPFEDSA-N 1 2 374.393 2.676 20 5 FFBDLO O=[N+]([O-])c1c(O)cc(O)cc1OC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001228974654 1036443885 /nfs/dbraw/zinc/44/38/85/1036443885.db2.gz VLFSELJYYGSXCS-MRXNPFEDSA-N 1 2 374.393 2.676 20 5 FFBDLO CC(=O)Nc1cc(OC2CC[NH+](CCF)CC2)c(C(C)=O)cc1[N+](=O)[O-] ZINC001229127732 1036511907 /nfs/dbraw/zinc/51/19/07/1036511907.db2.gz CFLWXVGXZIDUCS-UHFFFAOYSA-N 1 2 367.377 2.569 20 5 FFBDLO COc1cc(O)cc2oc3cc(O)c(OC4CC[NH+](C)CC4)cc3c(=O)c12 ZINC001234798678 1037182927 /nfs/dbraw/zinc/18/29/27/1037182927.db2.gz JDAGZSCFENRANJ-UHFFFAOYSA-N 1 2 371.389 2.839 20 5 FFBDLO O=C(Nc1cccc2c1OCO2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001536924711 1070087002 /nfs/dbraw/zinc/08/70/02/1070087002.db2.gz UCMBZIYAHHZFLO-UHFFFAOYSA-N 1 2 352.306 2.762 20 5 FFBDLO C[C@]1(CO)CC(F)(F)C[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254475057 1040742693 /nfs/dbraw/zinc/74/26/93/1040742693.db2.gz ZJMFYSGJHYKNNK-MRXNPFEDSA-N 1 2 355.385 2.656 20 5 FFBDLO C[C@]1(CO)CC(F)(F)C[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254475057 1040742708 /nfs/dbraw/zinc/74/27/08/1040742708.db2.gz ZJMFYSGJHYKNNK-MRXNPFEDSA-N 1 2 355.385 2.656 20 5 FFBDLO CC(C)(C)OC(=O)N1CC2(CC[N@@H+]2[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254595747 1040824777 /nfs/dbraw/zinc/82/47/77/1040824777.db2.gz ZIHGYOWNWKWJLK-MRXNPFEDSA-N 1 2 359.426 2.757 20 5 FFBDLO CC(C)(C)OC(=O)N1CC2(CC[N@H+]2[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254595747 1040824794 /nfs/dbraw/zinc/82/47/94/1040824794.db2.gz ZIHGYOWNWKWJLK-MRXNPFEDSA-N 1 2 359.426 2.757 20 5 FFBDLO O=C1Nc2ccccc2CN1C1C[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254605767 1040834444 /nfs/dbraw/zinc/83/44/44/1040834444.db2.gz DJHIOXMKILSBMM-QGZVFWFLSA-N 1 2 364.405 2.794 20 5 FFBDLO CC(C)(CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1=CCOCC1 ZINC001262828134 1041881981 /nfs/dbraw/zinc/88/19/81/1041881981.db2.gz GEVVLCQSWAABJI-UHFFFAOYSA-N 1 2 370.409 2.883 20 5 FFBDLO O=[N+]([O-])c1cc(-c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)ccc1CO ZINC001216915156 1042162976 /nfs/dbraw/zinc/16/29/76/1042162976.db2.gz DKWGIJUNPXGKOU-UHFFFAOYSA-N 1 2 363.333 2.990 20 5 FFBDLO Cc1cc(C[NH+]2CCN(c3ncc([N+](=O)[O-])c4ccccc43)CC2)on1 ZINC001331525666 1047986028 /nfs/dbraw/zinc/98/60/28/1047986028.db2.gz LBPZDGVCYJYNHE-UHFFFAOYSA-N 1 2 353.382 2.762 20 5 FFBDLO COC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC001330584866 1049216739 /nfs/dbraw/zinc/21/67/39/1049216739.db2.gz PAEVBHGBZMEHRM-UHFFFAOYSA-N 1 2 372.219 2.678 20 5 FFBDLO Nc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccnc2)cc1[N+](=O)[O-] ZINC001330831159 1049352059 /nfs/dbraw/zinc/35/20/59/1049352059.db2.gz HDXNUOQKWDQDJU-INIZCTEOSA-N 1 2 355.398 2.565 20 5 FFBDLO Nc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)cc1[N+](=O)[O-] ZINC001330831159 1049352068 /nfs/dbraw/zinc/35/20/68/1049352068.db2.gz HDXNUOQKWDQDJU-INIZCTEOSA-N 1 2 355.398 2.565 20 5 FFBDLO CC(C)Oc1cc(C(=O)N2CCc3cc[nH+]c(N)c3C2)ccc1[N+](=O)[O-] ZINC001302093228 1051041246 /nfs/dbraw/zinc/04/12/46/1051041246.db2.gz SVKUEEUHPMHJMO-UHFFFAOYSA-N 1 2 356.382 2.558 20 5 FFBDLO CCNc1ccc(C(=O)N2CCC(c3c[nH+]cn3C)CC2)cc1[N+](=O)[O-] ZINC001341096304 1051443311 /nfs/dbraw/zinc/44/33/11/1051443311.db2.gz UYWKXSBWONSAMU-UHFFFAOYSA-N 1 2 357.414 2.780 20 5 FFBDLO Cc1cccc(NC[C@@H]2CCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)[nH+]1 ZINC001342858213 1051467924 /nfs/dbraw/zinc/46/79/24/1051467924.db2.gz DFORLKMBEMACKE-AWEZNQCLSA-N 1 2 356.382 2.721 20 5 FFBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001304054793 1051516895 /nfs/dbraw/zinc/51/68/95/1051516895.db2.gz YSLUHEXSFHSADI-LLVKDONJSA-N 1 2 360.439 2.994 20 5 FFBDLO Nc1c(C(=O)NCc2[nH]c3c([nH+]2)CCCC3)cc2ccccc2c1[N+](=O)[O-] ZINC001304056071 1051516999 /nfs/dbraw/zinc/51/69/99/1051516999.db2.gz KMTWAVQUGHSEJM-UHFFFAOYSA-N 1 2 365.393 2.862 20 5 FFBDLO CC(C)c1[nH]cc(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[nH+]1 ZINC001304105218 1051538016 /nfs/dbraw/zinc/53/80/16/1051538016.db2.gz OVNAJPZUUWNMNP-UHFFFAOYSA-N 1 2 357.414 2.972 20 5 FFBDLO CC(C)c1[nH]c(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c[nH+]1 ZINC001304105218 1051538026 /nfs/dbraw/zinc/53/80/26/1051538026.db2.gz OVNAJPZUUWNMNP-UHFFFAOYSA-N 1 2 357.414 2.972 20 5 FFBDLO CC(C)c1[nH]cc(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)[nH+]1 ZINC001304108617 1051539367 /nfs/dbraw/zinc/53/93/67/1051539367.db2.gz XCNAKFJKQIAXKI-UHFFFAOYSA-N 1 2 354.370 2.557 20 5 FFBDLO CC(C)c1[nH]c(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c[nH+]1 ZINC001304108617 1051539376 /nfs/dbraw/zinc/53/93/76/1051539376.db2.gz XCNAKFJKQIAXKI-UHFFFAOYSA-N 1 2 354.370 2.557 20 5 FFBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCc3cc(O)ccc3C2)cccc1[N+](=O)[O-] ZINC001308170425 1052425289 /nfs/dbraw/zinc/42/52/89/1052425289.db2.gz KVRLCYSZVDZMPA-CYBMUJFWSA-N 1 2 355.394 2.994 20 5 FFBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCc3cc(O)ccc3C2)cccc1[N+](=O)[O-] ZINC001308170425 1052425291 /nfs/dbraw/zinc/42/52/91/1052425291.db2.gz KVRLCYSZVDZMPA-CYBMUJFWSA-N 1 2 355.394 2.994 20 5 FFBDLO COc1c(O)ccc(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)c1[N+](=O)[O-] ZINC001308568315 1052471224 /nfs/dbraw/zinc/47/12/24/1052471224.db2.gz CZYPBHGQIPECRE-UHFFFAOYSA-N 1 2 354.366 2.785 20 5 FFBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC001336039760 1053726031 /nfs/dbraw/zinc/72/60/31/1053726031.db2.gz QVTDQPMIWMJULU-KRWDZBQOSA-N 1 2 372.400 2.587 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N(Cc1ccccn1)C1CC1 ZINC001352540732 1055576778 /nfs/dbraw/zinc/57/67/78/1055576778.db2.gz HCXQDTGKVQEGSB-UHFFFAOYSA-N 1 2 363.377 2.980 20 5 FFBDLO Cc1[nH]c(CNC(=O)c2c(Br)cccc2[N+](=O)[O-])[nH+]c1C ZINC001545361983 1071771331 /nfs/dbraw/zinc/77/13/31/1071771331.db2.gz GCRZACMSHSTIBP-UHFFFAOYSA-N 1 2 353.176 2.627 20 5 FFBDLO C[C@@H](NC(=O)N1CCC(c2c[nH+]cn2C)CC1)c1cccc([N+](=O)[O-])c1 ZINC001520715376 1059991442 /nfs/dbraw/zinc/99/14/42/1059991442.db2.gz QSCRTJIAMBATHT-CYBMUJFWSA-N 1 2 357.414 2.979 20 5 FFBDLO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000848483663 1060126493 /nfs/dbraw/zinc/12/64/93/1060126493.db2.gz NIBQIXDTXAEJPA-CABCVRRESA-N 1 2 369.368 2.572 20 5 FFBDLO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000848483663 1060126495 /nfs/dbraw/zinc/12/64/95/1060126495.db2.gz NIBQIXDTXAEJPA-CABCVRRESA-N 1 2 369.368 2.572 20 5 FFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2ncccn2)C1 ZINC001460790482 1061103430 /nfs/dbraw/zinc/10/34/30/1061103430.db2.gz GZDRKXTZZRIQCY-KGLIPLIRSA-N 1 2 355.398 2.591 20 5 FFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](c2ncccn2)C1 ZINC001460790482 1061103446 /nfs/dbraw/zinc/10/34/46/1061103446.db2.gz GZDRKXTZZRIQCY-KGLIPLIRSA-N 1 2 355.398 2.591 20 5 FFBDLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC001475653100 1061182499 /nfs/dbraw/zinc/18/24/99/1061182499.db2.gz FDMBUQHLRIFETE-OAHLLOKOSA-N 1 2 369.487 2.562 20 5 FFBDLO Cc1ccc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC001475653100 1061182504 /nfs/dbraw/zinc/18/25/04/1061182504.db2.gz FDMBUQHLRIFETE-OAHLLOKOSA-N 1 2 369.487 2.562 20 5 FFBDLO C[C@@H](Cc1ccccn1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001526817729 1061277665 /nfs/dbraw/zinc/27/76/65/1061277665.db2.gz RUHQDDOTGRTVEX-ZDUSSCGKSA-N 1 2 351.366 2.537 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCS[C@H]1C(F)(F)F ZINC001528687371 1062006498 /nfs/dbraw/zinc/00/64/98/1062006498.db2.gz ZMTVVEYKRYREKD-ZDUSSCGKSA-N 1 2 372.328 2.858 20 5 FFBDLO Cc1[nH]c(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)[nH+]c1C ZINC001465749078 1063203646 /nfs/dbraw/zinc/20/36/46/1063203646.db2.gz KSCBPWOQHRIRQP-UHFFFAOYSA-N 1 2 367.203 2.556 20 5 FFBDLO Cc1cc(CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc(C)[nH+]1 ZINC001525866148 1063443432 /nfs/dbraw/zinc/44/34/32/1063443432.db2.gz UKNYFCBZQWERIG-UHFFFAOYSA-N 1 2 351.366 2.722 20 5 FFBDLO Cc1c[nH+]c2cc(C(=O)Nc3n[nH]c(-c4cccc([N+](=O)[O-])c4)n3)ccn12 ZINC001472503784 1065083162 /nfs/dbraw/zinc/08/31/62/1065083162.db2.gz BWGJUQBKXJDRID-UHFFFAOYSA-N 1 2 363.337 2.588 20 5 FFBDLO C[C@@](CO)([NH2+]Cc1nccn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001473714372 1065327944 /nfs/dbraw/zinc/32/79/44/1065327944.db2.gz QLDMRGPLXHHXPK-IBGZPJMESA-N 1 2 352.394 2.778 20 5 FFBDLO O=C(COc1cccc([N+](=O)[O-])c1)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001583337488 1079195383 /nfs/dbraw/zinc/19/53/83/1079195383.db2.gz FEYQPZMJQXRRKX-GOSISDBHSA-N 1 2 366.377 2.728 20 5 FFBDLO CCOC(=O)C(CC)(CC)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC001559869996 1076197997 /nfs/dbraw/zinc/19/79/97/1076197997.db2.gz KWRHAONHRYEZIH-UHFFFAOYSA-N 1 2 365.430 2.943 20 5 FFBDLO O=C(NC[C@@H]1OCc2ccccc21)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001586488090 1079638364 /nfs/dbraw/zinc/63/83/64/1079638364.db2.gz NTWGJZVCANVEQG-SFHVURJKSA-N 1 2 364.361 2.782 20 5 FFBDLO CCn1cc[nH+]c1[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000366625774 512113522 /nfs/dbraw/zinc/11/35/22/512113522.db2.gz KWFLLZMTQWSHND-LLVKDONJSA-N 1 2 370.456 2.789 20 5 FFBDLO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000005062499 249306354 /nfs/dbraw/zinc/30/63/54/249306354.db2.gz ZDGLPZSXGGFFKA-UHFFFAOYSA-N 1 2 367.409 2.527 20 5 FFBDLO O=C(NCc1ccccc1C[NH+]1CCOCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000018174737 249325472 /nfs/dbraw/zinc/32/54/72/249325472.db2.gz GZTJJDNMAWAGOS-UHFFFAOYSA-N 1 2 370.409 2.749 20 5 FFBDLO O=C(C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1)Nc1ccccc1 ZINC000022420151 249331199 /nfs/dbraw/zinc/33/11/99/249331199.db2.gz OEZMKKOVONTSBG-UHFFFAOYSA-N 1 2 355.398 2.505 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000106539900 250275408 /nfs/dbraw/zinc/27/54/08/250275408.db2.gz BJISBPRNLUCMGT-CQSZACIVSA-N 1 2 359.386 2.763 20 5 FFBDLO C[C@H]1CN(c2ccc(CNc3ncc(Cl)cc3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000153589061 251152241 /nfs/dbraw/zinc/15/22/41/251152241.db2.gz MAESRQSMWRWNDI-NSHDSACASA-N 1 2 363.805 2.875 20 5 FFBDLO CC(C)c1[nH+]c2ccccc2n1Cc1noc(Cn2cc([N+](=O)[O-])cn2)n1 ZINC000277994265 256264624 /nfs/dbraw/zinc/26/46/24/256264624.db2.gz VRFPYANGDFBAMX-UHFFFAOYSA-N 1 2 367.369 2.744 20 5 FFBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000279239364 256396434 /nfs/dbraw/zinc/39/64/34/256396434.db2.gz FVDVWYXOOXFUDE-GFCCVEGCSA-N 1 2 363.439 2.602 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCC[C@H]1c1cc[nH]n1 ZINC000286125119 257021333 /nfs/dbraw/zinc/02/13/33/257021333.db2.gz WIRLQEHTMSFFDM-HNNXBMFYSA-N 1 2 366.381 2.871 20 5 FFBDLO O=C(C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000289747211 257297008 /nfs/dbraw/zinc/29/70/08/257297008.db2.gz YMFXOBOHWWHAIL-MJGOQNOKSA-N 1 2 371.437 2.517 20 5 FFBDLO O=C(C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000289747211 257297009 /nfs/dbraw/zinc/29/70/09/257297009.db2.gz YMFXOBOHWWHAIL-MJGOQNOKSA-N 1 2 371.437 2.517 20 5 FFBDLO Cc1nc(C2([NH2+]CCC(=O)Nc3ccccc3[N+](=O)[O-])CCCC2)no1 ZINC000299588066 258007773 /nfs/dbraw/zinc/00/77/73/258007773.db2.gz JHPSMUDOUILZJN-UHFFFAOYSA-N 1 2 359.386 2.674 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccccn3)CC2)c(OC(F)F)c1 ZINC000302030524 258083165 /nfs/dbraw/zinc/08/31/65/258083165.db2.gz BRRNJIOPNKDBTI-UHFFFAOYSA-N 1 2 364.352 2.913 20 5 FFBDLO Cc1nc(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c2c([nH+]1)CCCC2 ZINC000302104734 258087940 /nfs/dbraw/zinc/08/79/40/258087940.db2.gz RLMZPRXZYAZSEX-CYBMUJFWSA-N 1 2 354.414 2.658 20 5 FFBDLO COCc1cc([N+](=O)[O-])ccc1N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000301739981 258065603 /nfs/dbraw/zinc/06/56/03/258065603.db2.gz KBLUEQBYUBXGPH-UHFFFAOYSA-N 1 2 364.471 2.745 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000332484298 258232021 /nfs/dbraw/zinc/23/20/21/258232021.db2.gz ZKAMRYCKVHAPRB-UHFFFAOYSA-N 1 2 370.818 2.540 20 5 FFBDLO CCOc1ncccc1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032161540 506234176 /nfs/dbraw/zinc/23/41/76/506234176.db2.gz CICFVMWNYPFFPU-UHFFFAOYSA-N 1 2 367.365 2.504 20 5 FFBDLO Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000032248685 506235324 /nfs/dbraw/zinc/23/53/24/506235324.db2.gz BINSKYTUMWREOG-GOSISDBHSA-N 1 2 369.421 2.534 20 5 FFBDLO Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000032248685 506235331 /nfs/dbraw/zinc/23/53/31/506235331.db2.gz BINSKYTUMWREOG-GOSISDBHSA-N 1 2 369.421 2.534 20 5 FFBDLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000368975857 512164941 /nfs/dbraw/zinc/16/49/41/512164941.db2.gz SLMZVNQUQQWCOI-RCBQFDQVSA-N 1 2 372.450 2.804 20 5 FFBDLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000368975857 512164945 /nfs/dbraw/zinc/16/49/45/512164945.db2.gz SLMZVNQUQQWCOI-RCBQFDQVSA-N 1 2 372.450 2.804 20 5 FFBDLO O=C(C[NH+]1CCC(n2cccn2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000369120906 512238117 /nfs/dbraw/zinc/23/81/17/512238117.db2.gz ZWZZTSWWOTWRKK-UHFFFAOYSA-N 1 2 363.805 2.720 20 5 FFBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)Cc1c[nH]c3ccc([N+](=O)[O-])cc13)CCC2 ZINC000371146702 512242438 /nfs/dbraw/zinc/24/24/38/512242438.db2.gz QVTHASOQLHWLBK-ZDUSSCGKSA-N 1 2 367.409 2.817 20 5 FFBDLO COc1ccc(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)cc1[N+](=O)[O-] ZINC000053508370 506394670 /nfs/dbraw/zinc/39/46/70/506394670.db2.gz CIVLUKKNKHQFCG-UHFFFAOYSA-N 1 2 370.409 2.919 20 5 FFBDLO CCc1cc(NCCNC(=O)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000053551058 506402009 /nfs/dbraw/zinc/40/20/09/506402009.db2.gz KRGVRFOKYBSGDC-UHFFFAOYSA-N 1 2 355.398 2.552 20 5 FFBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000054646398 506595004 /nfs/dbraw/zinc/59/50/04/506595004.db2.gz SKDVTMNCJQEYJH-UHFFFAOYSA-N 1 2 374.466 2.726 20 5 FFBDLO Cc1c(NC(=O)N2CC[NH+](Cc3cccnc3)CC2)cccc1[N+](=O)[O-] ZINC000043347447 506737309 /nfs/dbraw/zinc/73/73/09/506737309.db2.gz DUNZEBVILBQPLI-UHFFFAOYSA-N 1 2 355.398 2.648 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000067289840 506818441 /nfs/dbraw/zinc/81/84/41/506818441.db2.gz IEMLXDXLYCMNRM-SFHVURJKSA-N 1 2 365.393 2.646 20 5 FFBDLO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000045162129 506927075 /nfs/dbraw/zinc/92/70/75/506927075.db2.gz MEHLFXQGTMGBLY-UHFFFAOYSA-N 1 2 371.441 2.848 20 5 FFBDLO CC(C)c1nnc2n1CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]2C ZINC000367043868 512311327 /nfs/dbraw/zinc/31/13/27/512311327.db2.gz SNXKTRSSVAKOQI-CYBMUJFWSA-N 1 2 372.429 2.715 20 5 FFBDLO CC(C)c1nnc2n1CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]2C ZINC000367043868 512311332 /nfs/dbraw/zinc/31/13/32/512311332.db2.gz SNXKTRSSVAKOQI-CYBMUJFWSA-N 1 2 372.429 2.715 20 5 FFBDLO COc1ccccc1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000015653211 507053570 /nfs/dbraw/zinc/05/35/70/507053570.db2.gz LANXBCFIJWXDHQ-UHFFFAOYSA-N 1 2 352.350 2.719 20 5 FFBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000016638943 507100055 /nfs/dbraw/zinc/10/00/55/507100055.db2.gz MDBYOYZVPDUNPQ-UHFFFAOYSA-N 1 2 358.423 2.674 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000057887698 507349881 /nfs/dbraw/zinc/34/98/81/507349881.db2.gz ZHOSPTATTDBBOW-UHFFFAOYSA-N 1 2 372.303 2.634 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000023774014 507373882 /nfs/dbraw/zinc/37/38/82/507373882.db2.gz WCTGLNLFOZNSEJ-GOSISDBHSA-N 1 2 350.378 2.777 20 5 FFBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1C ZINC000425441878 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ZINC000153320212 508571087 /nfs/dbraw/zinc/57/10/87/508571087.db2.gz YWGIKBQDJFOACU-UHFFFAOYSA-N 1 2 356.407 2.531 20 5 FFBDLO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000158073648 508653841 /nfs/dbraw/zinc/65/38/41/508653841.db2.gz MZFAYBRYEGQHAO-MRXNPFEDSA-N 1 2 369.421 2.895 20 5 FFBDLO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000158073648 508653844 /nfs/dbraw/zinc/65/38/44/508653844.db2.gz MZFAYBRYEGQHAO-MRXNPFEDSA-N 1 2 369.421 2.895 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@]3(CO)CCc4ccccc43)n2)c1 ZINC000136184656 508677470 /nfs/dbraw/zinc/67/74/70/508677470.db2.gz NWWLNRXSSLIHKO-IBGZPJMESA-N 1 2 366.377 2.568 20 5 FFBDLO O=[N+]([O-])c1cccc(Cl)c1CN1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000119249002 508756352 /nfs/dbraw/zinc/75/63/52/508756352.db2.gz BKIKHGDKIWUGMV-CQSZACIVSA-N 1 2 353.850 2.935 20 5 FFBDLO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000119581903 508823079 /nfs/dbraw/zinc/82/30/79/508823079.db2.gz VPWBSJDZTBZQBJ-AWEZNQCLSA-N 1 2 374.466 2.597 20 5 FFBDLO O=C(C[N@H+](Cc1cccnc1)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000124733335 508876693 /nfs/dbraw/zinc/87/66/93/508876693.db2.gz INGHURNBJYYRJQ-UHFFFAOYSA-N 1 2 352.394 2.544 20 5 FFBDLO O=C(C[N@@H+](Cc1cccnc1)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000124733335 508876697 /nfs/dbraw/zinc/87/66/97/508876697.db2.gz INGHURNBJYYRJQ-UHFFFAOYSA-N 1 2 352.394 2.544 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1CNc1ccc(N2CCOCC2)c[nH+]1 ZINC000131309779 508913392 /nfs/dbraw/zinc/91/33/92/508913392.db2.gz ZIGPGXAMQBDIGC-UHFFFAOYSA-N 1 2 358.398 2.837 20 5 FFBDLO COc1ccc(-c2ccc(C[N@H+](C)CC(=O)NC(C)C)o2)c([N+](=O)[O-])c1 ZINC000120266068 508961402 /nfs/dbraw/zinc/96/14/02/508961402.db2.gz GQOCKLLFMNCFNO-UHFFFAOYSA-N 1 2 361.398 2.820 20 5 FFBDLO COc1ccc(-c2ccc(C[N@@H+](C)CC(=O)NC(C)C)o2)c([N+](=O)[O-])c1 ZINC000120266068 508961406 /nfs/dbraw/zinc/96/14/06/508961406.db2.gz GQOCKLLFMNCFNO-UHFFFAOYSA-N 1 2 361.398 2.820 20 5 FFBDLO C[N@H+](Cc1cscn1)Cc1cccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000155309987 508973902 /nfs/dbraw/zinc/97/39/02/508973902.db2.gz JNFMYVDMNKYQBZ-UHFFFAOYSA-N 1 2 372.410 2.659 20 5 FFBDLO C[N@@H+](Cc1cscn1)Cc1cccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000155309987 508973905 /nfs/dbraw/zinc/97/39/05/508973905.db2.gz JNFMYVDMNKYQBZ-UHFFFAOYSA-N 1 2 372.410 2.659 20 5 FFBDLO O=[N+]([O-])c1cc(Br)ccc1N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000160420292 508984598 /nfs/dbraw/zinc/98/45/98/508984598.db2.gz PIZJDANLZNUKSB-ZDUSSCGKSA-N 1 2 370.247 2.658 20 5 FFBDLO COc1ccc(F)cc1C[NH+]1CCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000132587642 509049053 /nfs/dbraw/zinc/04/90/53/509049053.db2.gz SUVHZTYOMCLSAW-UHFFFAOYSA-N 1 2 360.389 2.768 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1C ZINC000126065171 509059575 /nfs/dbraw/zinc/05/95/75/509059575.db2.gz IEKORLCZHYWLKS-CYBMUJFWSA-N 1 2 364.427 2.851 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCc2[nH+]ccn2CC(C)C)c1C ZINC000182414723 509227064 /nfs/dbraw/zinc/22/70/64/509227064.db2.gz PPIHULYHWUITAB-UHFFFAOYSA-N 1 2 366.443 2.543 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000264224875 509394365 /nfs/dbraw/zinc/39/43/65/509394365.db2.gz WQJOTCINMGGOGP-CQSZACIVSA-N 1 2 370.471 2.639 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000264224875 509394369 /nfs/dbraw/zinc/39/43/69/509394369.db2.gz WQJOTCINMGGOGP-CQSZACIVSA-N 1 2 370.471 2.639 20 5 FFBDLO COc1cc(C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000264226230 509394649 /nfs/dbraw/zinc/39/46/49/509394649.db2.gz WXBWWJPVDURVIM-UHFFFAOYSA-N 1 2 372.303 2.634 20 5 FFBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCc3cccc(Br)c3C2)n1 ZINC000176248856 509402366 /nfs/dbraw/zinc/40/23/66/509402366.db2.gz VDYGFBNUIQHKNI-UHFFFAOYSA-N 1 2 351.204 2.612 20 5 FFBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCc3cccc(Br)c3C2)n1 ZINC000176248856 509402372 /nfs/dbraw/zinc/40/23/72/509402372.db2.gz VDYGFBNUIQHKNI-UHFFFAOYSA-N 1 2 351.204 2.612 20 5 FFBDLO CCc1noc(CC)c1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000176475014 509532831 /nfs/dbraw/zinc/53/28/31/509532831.db2.gz NVTJUSRFXVSOJA-UHFFFAOYSA-N 1 2 369.381 2.823 20 5 FFBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](Cc2cncnc2)CC1 ZINC000179654919 509557388 /nfs/dbraw/zinc/55/73/88/509557388.db2.gz WFCJDFLODWTLOW-UHFFFAOYSA-N 1 2 367.331 2.726 20 5 FFBDLO Cc1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000176805538 509700046 /nfs/dbraw/zinc/70/00/46/509700046.db2.gz QARDOXXSEBLURH-UHFFFAOYSA-N 1 2 366.381 2.677 20 5 FFBDLO Cc1cc(N2CCC[C@@H](C3OCCO3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000264886401 509756240 /nfs/dbraw/zinc/75/62/40/509756240.db2.gz DTHRJRBRHPHGHX-OAHLLOKOSA-N 1 2 370.409 2.950 20 5 FFBDLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000186803151 509903570 /nfs/dbraw/zinc/90/35/70/509903570.db2.gz LLTWMBUYLJRSOZ-AWEZNQCLSA-N 1 2 355.394 2.647 20 5 FFBDLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000186803151 509903572 /nfs/dbraw/zinc/90/35/72/509903572.db2.gz LLTWMBUYLJRSOZ-AWEZNQCLSA-N 1 2 355.394 2.647 20 5 FFBDLO CCc1nsc(N2CCC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])CC2)n1 ZINC000174517623 510155113 /nfs/dbraw/zinc/15/51/13/510155113.db2.gz GMWUVCRLBLZTME-UHFFFAOYSA-N 1 2 365.434 2.860 20 5 FFBDLO CCc1nsc(N2CCC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])CC2)n1 ZINC000174517623 510155118 /nfs/dbraw/zinc/15/51/18/510155118.db2.gz GMWUVCRLBLZTME-UHFFFAOYSA-N 1 2 365.434 2.860 20 5 FFBDLO NC(=O)c1ccc(N2CC[NH+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1 ZINC000269044556 510208908 /nfs/dbraw/zinc/20/89/08/510208908.db2.gz MBNCKVHLRMXWPY-UHFFFAOYSA-N 1 2 374.828 2.669 20 5 FFBDLO CC[C@H]1C[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])CCN1CC(F)F ZINC000184291212 510244269 /nfs/dbraw/zinc/24/42/69/510244269.db2.gz WTCJHKYPCQTIJF-LBPRGKRZSA-N 1 2 361.364 2.904 20 5 FFBDLO CC[C@H]1C[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])CCN1CC(F)F ZINC000184291212 510244272 /nfs/dbraw/zinc/24/42/72/510244272.db2.gz WTCJHKYPCQTIJF-LBPRGKRZSA-N 1 2 361.364 2.904 20 5 FFBDLO C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246208676 510364529 /nfs/dbraw/zinc/36/45/29/510364529.db2.gz XECUJBIXFGNJOR-NWDGAFQWSA-N 1 2 360.418 2.918 20 5 FFBDLO C[C@@H](c1nc(C(C)(C)C)no1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246208676 510364533 /nfs/dbraw/zinc/36/45/33/510364533.db2.gz XECUJBIXFGNJOR-NWDGAFQWSA-N 1 2 360.418 2.918 20 5 FFBDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000184605393 510412207 /nfs/dbraw/zinc/41/22/07/510412207.db2.gz WQQXVDAPOUWZMK-HNNXBMFYSA-N 1 2 369.425 2.578 20 5 FFBDLO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000269510053 510442331 /nfs/dbraw/zinc/44/23/31/510442331.db2.gz WSWHUCNSQTVAOV-ZDUSSCGKSA-N 1 2 368.821 2.577 20 5 FFBDLO Nc1c(C(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)cccc1[N+](=O)[O-] ZINC000178149267 510458727 /nfs/dbraw/zinc/45/87/27/510458727.db2.gz CPJGAJQGRCLDAW-UHFFFAOYSA-N 1 2 374.828 2.788 20 5 FFBDLO COC[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(C)o1 ZINC000184741974 510494842 /nfs/dbraw/zinc/49/48/42/510494842.db2.gz JMJDEPLRVOMGQF-CVEARBPZSA-N 1 2 359.382 2.579 20 5 FFBDLO CCc1ccc([C@@H](COC)[NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)o1 ZINC000184820969 510530576 /nfs/dbraw/zinc/53/05/76/510530576.db2.gz DKMNDHIOVLFSRG-MRXNPFEDSA-N 1 2 373.409 2.617 20 5 FFBDLO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000269874800 510580450 /nfs/dbraw/zinc/58/04/50/510580450.db2.gz OUCHWWRWUVLEEZ-ZDUSSCGKSA-N 1 2 369.381 2.637 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCCc3ccccc3C2)cc1 ZINC000181860694 510631949 /nfs/dbraw/zinc/63/19/49/510631949.db2.gz SYLJMGLBLVVNRA-UHFFFAOYSA-N 1 2 360.435 2.817 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCCc3ccccc3C2)cc1 ZINC000181860694 510631954 /nfs/dbraw/zinc/63/19/54/510631954.db2.gz SYLJMGLBLVVNRA-UHFFFAOYSA-N 1 2 360.435 2.817 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000191403236 510642006 /nfs/dbraw/zinc/64/20/06/510642006.db2.gz OVMPUGTXUIPOSJ-HNNXBMFYSA-N 1 2 362.430 2.540 20 5 FFBDLO C[C@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)no1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000185152585 510715657 /nfs/dbraw/zinc/71/56/57/510715657.db2.gz POAHDDJSRWBGMD-QWRGUYRKSA-N 1 2 361.402 2.953 20 5 FFBDLO Cc1noc(C)c1C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000172475239 510746440 /nfs/dbraw/zinc/74/64/40/510746440.db2.gz JBXZUCBRXJRBOZ-LLVKDONJSA-N 1 2 369.381 2.746 20 5 FFBDLO COc1cc(C(=O)Nc2ccccc2C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000195307568 510776446 /nfs/dbraw/zinc/77/64/46/510776446.db2.gz VSQMKNKLLDBSIN-UHFFFAOYSA-N 1 2 371.393 2.688 20 5 FFBDLO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1nc(C2CCCCC2)no1 ZINC000185275631 510784924 /nfs/dbraw/zinc/78/49/24/510784924.db2.gz ONJBMXVKYXRTJK-LBPRGKRZSA-N 1 2 361.402 2.538 20 5 FFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178837118 510797920 /nfs/dbraw/zinc/79/79/20/510797920.db2.gz WTGSEYYDUPIKLY-OLZOCXBDSA-N 1 2 363.414 2.585 20 5 FFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178837118 510797926 /nfs/dbraw/zinc/79/79/26/510797926.db2.gz WTGSEYYDUPIKLY-OLZOCXBDSA-N 1 2 363.414 2.585 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1cccc(F)c1 ZINC000175847290 510821186 /nfs/dbraw/zinc/82/11/86/510821186.db2.gz JCDYMBFLAGJJDW-INIZCTEOSA-N 1 2 369.356 2.569 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000247122008 510839972 /nfs/dbraw/zinc/83/99/72/510839972.db2.gz RUUCMTFHHDCULA-CHWSQXEVSA-N 1 2 363.414 2.585 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000247122008 510839975 /nfs/dbraw/zinc/83/99/75/510839975.db2.gz RUUCMTFHHDCULA-CHWSQXEVSA-N 1 2 363.414 2.585 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](OCC(C)C)C2)c([N+](=O)[O-])c1 ZINC000247642587 510867630 /nfs/dbraw/zinc/86/76/30/510867630.db2.gz OOUSCZZCMXIANX-UKRRQHHQSA-N 1 2 365.430 2.677 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](OCC(C)C)C2)c([N+](=O)[O-])c1 ZINC000247642587 510867631 /nfs/dbraw/zinc/86/76/31/510867631.db2.gz OOUSCZZCMXIANX-UKRRQHHQSA-N 1 2 365.430 2.677 20 5 FFBDLO COc1ccsc1C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000294122439 510962845 /nfs/dbraw/zinc/96/28/45/510962845.db2.gz TXVLGRGOEGBQLE-UHFFFAOYSA-N 1 2 361.423 2.623 20 5 FFBDLO Cc1cccc(C)c1-n1nnnc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282538717 511018425 /nfs/dbraw/zinc/01/84/25/511018425.db2.gz VUNGIIRPDMJFGG-UHFFFAOYSA-N 1 2 366.425 2.862 20 5 FFBDLO Cc1cccc(C)c1-n1nnnc1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282538717 511018427 /nfs/dbraw/zinc/01/84/27/511018427.db2.gz VUNGIIRPDMJFGG-UHFFFAOYSA-N 1 2 366.425 2.862 20 5 FFBDLO C[N@@H+]1CCc2nc(NC(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)sc2C1 ZINC000294302660 511019876 /nfs/dbraw/zinc/01/98/76/511019876.db2.gz CRLSPFXQOARUME-UHFFFAOYSA-N 1 2 374.422 2.641 20 5 FFBDLO C[N@H+]1CCc2nc(NC(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)sc2C1 ZINC000294302660 511019879 /nfs/dbraw/zinc/01/98/79/511019879.db2.gz CRLSPFXQOARUME-UHFFFAOYSA-N 1 2 374.422 2.641 20 5 FFBDLO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282690319 511074491 /nfs/dbraw/zinc/07/44/91/511074491.db2.gz DWEKDKHKZBSJPR-ZDUSSCGKSA-N 1 2 370.409 2.853 20 5 FFBDLO COc1cc(C[N@@H+]2C[C@@H](C)OC3(CCOCC3)C2)c([N+](=O)[O-])cc1F ZINC000279946079 511277078 /nfs/dbraw/zinc/27/70/78/511277078.db2.gz XNVSTPJUBIAVBN-GFCCVEGCSA-N 1 2 354.378 2.512 20 5 FFBDLO COc1cc(C[N@H+]2C[C@@H](C)OC3(CCOCC3)C2)c([N+](=O)[O-])cc1F ZINC000279946079 511277082 /nfs/dbraw/zinc/27/70/82/511277082.db2.gz XNVSTPJUBIAVBN-GFCCVEGCSA-N 1 2 354.378 2.512 20 5 FFBDLO CN(C)C(=O)C1([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCCCC1 ZINC000295178326 511310710 /nfs/dbraw/zinc/31/07/10/511310710.db2.gz RFLOJBHPVCEIKH-UHFFFAOYSA-N 1 2 373.413 2.526 20 5 FFBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000295393353 511389646 /nfs/dbraw/zinc/38/96/46/511389646.db2.gz TZGWPHDJTQSWJP-UHFFFAOYSA-N 1 2 362.474 2.982 20 5 FFBDLO C[C@@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@@H](C)[NH+]1CCOCC1 ZINC000334003999 511421114 /nfs/dbraw/zinc/42/11/14/511421114.db2.gz VDECLXOLGJZOKF-ZIAGYGMSSA-N 1 2 363.458 2.731 20 5 FFBDLO CC(C)(C)[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H]1O ZINC000272088165 511428027 /nfs/dbraw/zinc/42/80/27/511428027.db2.gz KREDGEXOEFFIDB-RHSMWYFYSA-N 1 2 372.425 2.650 20 5 FFBDLO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC2(CCOCC2)O1 ZINC000280377376 511442983 /nfs/dbraw/zinc/44/29/83/511442983.db2.gz DZIHWTCRPIBFRJ-GFCCVEGCSA-N 1 2 372.368 2.966 20 5 FFBDLO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC2(CCOCC2)O1 ZINC000280377376 511442987 /nfs/dbraw/zinc/44/29/87/511442987.db2.gz DZIHWTCRPIBFRJ-GFCCVEGCSA-N 1 2 372.368 2.966 20 5 FFBDLO Cc1nn(CCC(=O)Oc2ccc3c(c2)[nH+]c(C)n3C)c(C)c1[N+](=O)[O-] ZINC000295959247 511568568 /nfs/dbraw/zinc/56/85/68/511568568.db2.gz BNTYIOGQOVFINC-UHFFFAOYSA-N 1 2 357.370 2.599 20 5 FFBDLO CO[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1(C)C ZINC000296053829 511604303 /nfs/dbraw/zinc/60/43/03/511604303.db2.gz ORBAXKANGYBWFW-CQSZACIVSA-N 1 2 355.822 2.934 20 5 FFBDLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1(C)C ZINC000296053829 511604307 /nfs/dbraw/zinc/60/43/07/511604307.db2.gz ORBAXKANGYBWFW-CQSZACIVSA-N 1 2 355.822 2.934 20 5 FFBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3nc(-c4cccs4)no3)CC2)n1 ZINC000365819721 511667559 /nfs/dbraw/zinc/66/75/59/511667559.db2.gz JXNRDEJVBPFJCC-UHFFFAOYSA-N 1 2 360.399 2.740 20 5 FFBDLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365837750 511679982 /nfs/dbraw/zinc/67/99/82/511679982.db2.gz MCHJMVOEQWGQIX-GFCCVEGCSA-N 1 2 368.397 2.838 20 5 FFBDLO O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000364443606 512109307 /nfs/dbraw/zinc/10/93/07/512109307.db2.gz KHYTXQJJOYAKPY-HOTGVXAUSA-N 1 2 367.833 2.621 20 5 FFBDLO O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000364443608 512109455 /nfs/dbraw/zinc/10/94/55/512109455.db2.gz KHYTXQJJOYAKPY-JKSUJKDBSA-N 1 2 367.833 2.621 20 5 FFBDLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000375768515 512496640 /nfs/dbraw/zinc/49/66/40/512496640.db2.gz NSSXHBFAHQVVPN-AWEZNQCLSA-N 1 2 362.304 2.531 20 5 FFBDLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000375768515 512496643 /nfs/dbraw/zinc/49/66/43/512496643.db2.gz NSSXHBFAHQVVPN-AWEZNQCLSA-N 1 2 362.304 2.531 20 5 FFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000373935276 512579717 /nfs/dbraw/zinc/57/97/17/512579717.db2.gz CQVDFIBWRZWRPQ-KBPBESRZSA-N 1 2 355.398 2.591 20 5 FFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000373935276 512579722 /nfs/dbraw/zinc/57/97/22/512579722.db2.gz CQVDFIBWRZWRPQ-KBPBESRZSA-N 1 2 355.398 2.591 20 5 FFBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378091026 512585803 /nfs/dbraw/zinc/58/58/03/512585803.db2.gz UZRYMUFUHIQLDY-UHFFFAOYSA-N 1 2 357.414 2.916 20 5 FFBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378091026 512585806 /nfs/dbraw/zinc/58/58/06/512585806.db2.gz UZRYMUFUHIQLDY-UHFFFAOYSA-N 1 2 357.414 2.916 20 5 FFBDLO O=[N+]([O-])c1cc2c(ncnc2NCc2ccc(-n3cc[nH+]c3)nc2)s1 ZINC000376076774 512649779 /nfs/dbraw/zinc/64/97/79/512649779.db2.gz BZXYTAVNBOSHMU-UHFFFAOYSA-N 1 2 353.367 2.792 20 5 FFBDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000374302131 512754678 /nfs/dbraw/zinc/75/46/78/512754678.db2.gz MVTYWIKCDZHDRD-KRWDZBQOSA-N 1 2 360.414 2.777 20 5 FFBDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000374302131 512754683 /nfs/dbraw/zinc/75/46/83/512754683.db2.gz MVTYWIKCDZHDRD-KRWDZBQOSA-N 1 2 360.414 2.777 20 5 FFBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380478440 512873054 /nfs/dbraw/zinc/87/30/54/512873054.db2.gz TWPDZRPTKUPKFX-RHSMWYFYSA-N 1 2 369.421 2.941 20 5 FFBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000380478440 512873056 /nfs/dbraw/zinc/87/30/56/512873056.db2.gz TWPDZRPTKUPKFX-RHSMWYFYSA-N 1 2 369.421 2.941 20 5 FFBDLO CC(C)c1ncc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000440467550 513327622 /nfs/dbraw/zinc/32/76/22/513327622.db2.gz MKXOEINAMRIKFX-ZDUSSCGKSA-N 1 2 357.414 2.967 20 5 FFBDLO CC(C)c1ncc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000440467550 513327631 /nfs/dbraw/zinc/32/76/31/513327631.db2.gz MKXOEINAMRIKFX-ZDUSSCGKSA-N 1 2 357.414 2.967 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@H](OCC2CC2)C1 ZINC000450774029 513334551 /nfs/dbraw/zinc/33/45/51/513334551.db2.gz BZOZHCCHESFTAF-INIZCTEOSA-N 1 2 370.409 2.812 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccc(Br)cn3)nc2c1 ZINC000446835712 513348224 /nfs/dbraw/zinc/34/82/24/513348224.db2.gz NAMHTHIUZSFIMV-UHFFFAOYSA-N 1 2 362.187 2.918 20 5 FFBDLO CCS(=O)(=O)C1CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000446846647 513349040 /nfs/dbraw/zinc/34/90/40/513349040.db2.gz CHLGXEQOOVGDGO-SDNWHVSQSA-N 1 2 352.456 2.897 20 5 FFBDLO CCO[C@@H]1C[C@@H](O)C12CCN(c1[nH+]ccc3ccc([N+](=O)[O-])cc31)CC2 ZINC000413167314 513494794 /nfs/dbraw/zinc/49/47/94/513494794.db2.gz VHMUIDLNSLERTO-IAGOWNOFSA-N 1 2 357.410 2.899 20 5 FFBDLO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)cccc21 ZINC000447720673 513551237 /nfs/dbraw/zinc/55/12/37/513551237.db2.gz COILOABJSPDFFH-CQSZACIVSA-N 1 2 357.366 2.938 20 5 FFBDLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1C ZINC000425441878 513568287 /nfs/dbraw/zinc/56/82/87/513568287.db2.gz IVANHQGRBZKEFA-GXFFZTMASA-N 1 2 371.231 2.988 20 5 FFBDLO COCC[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430232822 513592716 /nfs/dbraw/zinc/59/27/16/513592716.db2.gz IMKXQMVHUYYYAQ-UHFFFAOYSA-N 1 2 374.393 2.981 20 5 FFBDLO COCC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430232822 513592723 /nfs/dbraw/zinc/59/27/23/513592723.db2.gz IMKXQMVHUYYYAQ-UHFFFAOYSA-N 1 2 374.393 2.981 20 5 FFBDLO CC[C@@](C)(C(=O)OC)[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC1CC1 ZINC000425515320 513613985 /nfs/dbraw/zinc/61/39/85/513613985.db2.gz SETPTKIZKAKYBW-SFHVURJKSA-N 1 2 363.414 2.587 20 5 FFBDLO CC[C@@](C)(C(=O)OC)[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC1CC1 ZINC000425515320 513613992 /nfs/dbraw/zinc/61/39/92/513613992.db2.gz SETPTKIZKAKYBW-SFHVURJKSA-N 1 2 363.414 2.587 20 5 FFBDLO CO[C@@H]1C[C@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C12CCC2 ZINC000413431598 513653890 /nfs/dbraw/zinc/65/38/90/513653890.db2.gz AMYPPEWBZFRBQH-ZWKOTPCHSA-N 1 2 361.442 2.797 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC(OC2CCC2)CC1 ZINC000416255273 513678063 /nfs/dbraw/zinc/67/80/63/513678063.db2.gz CSQFEZYGLOLMBB-UHFFFAOYSA-N 1 2 370.409 2.954 20 5 FFBDLO Cc1cc(S(=O)(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)c(C)cc1[N+](=O)[O-] ZINC000416488960 513799221 /nfs/dbraw/zinc/79/92/21/513799221.db2.gz QCUBOYCRHDYPIA-AWEZNQCLSA-N 1 2 352.416 2.610 20 5 FFBDLO CCO[C@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000451552133 513827152 /nfs/dbraw/zinc/82/71/52/513827152.db2.gz YFWCMGPZTAODCY-ABAIWWIYSA-N 1 2 355.822 2.934 20 5 FFBDLO CCO[C@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000451552133 513827161 /nfs/dbraw/zinc/82/71/61/513827161.db2.gz YFWCMGPZTAODCY-ABAIWWIYSA-N 1 2 355.822 2.934 20 5 FFBDLO CO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000451574689 513844304 /nfs/dbraw/zinc/84/43/04/513844304.db2.gz RVBFWCYBCYCRCH-UEKVPHQBSA-N 1 2 355.822 2.932 20 5 FFBDLO CO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000451574689 513844312 /nfs/dbraw/zinc/84/43/12/513844312.db2.gz RVBFWCYBCYCRCH-UEKVPHQBSA-N 1 2 355.822 2.932 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCCC[C@@H]1c1cc[nH]n1 ZINC000451684445 513908913 /nfs/dbraw/zinc/90/89/13/513908913.db2.gz XPPBPIGUKNNDDP-OAHLLOKOSA-N 1 2 366.381 2.871 20 5 FFBDLO C[C@H]1CN(CC(F)(F)F)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000451879489 514042251 /nfs/dbraw/zinc/04/22/51/514042251.db2.gz JVVNVSXNRBXVFX-LLVKDONJSA-N 1 2 371.363 2.787 20 5 FFBDLO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000451879489 514042253 /nfs/dbraw/zinc/04/22/53/514042253.db2.gz JVVNVSXNRBXVFX-LLVKDONJSA-N 1 2 371.363 2.787 20 5 FFBDLO O=C(NCc1c[nH+]c[nH]1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000426870079 514062175 /nfs/dbraw/zinc/06/21/75/514062175.db2.gz ZBWCATQCHIPMRJ-UHFFFAOYSA-N 1 2 352.350 2.827 20 5 FFBDLO O=C(NCc1c[nH]c[nH+]1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000426870079 514062181 /nfs/dbraw/zinc/06/21/81/514062181.db2.gz ZBWCATQCHIPMRJ-UHFFFAOYSA-N 1 2 352.350 2.827 20 5 FFBDLO COc1cccc(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000444027424 514103537 /nfs/dbraw/zinc/10/35/37/514103537.db2.gz CMMYAKOAJNESOD-UHFFFAOYSA-N 1 2 370.409 2.919 20 5 FFBDLO CN([C@@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000432290406 514149480 /nfs/dbraw/zinc/14/94/80/514149480.db2.gz BTHSXSRMPAQMHI-MRXNPFEDSA-N 1 2 372.406 2.728 20 5 FFBDLO CCc1nnc(C[NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)[nH]1 ZINC000449349220 514177349 /nfs/dbraw/zinc/17/73/49/514177349.db2.gz VXKCLPGYPQJJCV-UHFFFAOYSA-N 1 2 357.370 2.834 20 5 FFBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCc3c(F)ccc(F)c3C2)c1 ZINC000437531686 514178435 /nfs/dbraw/zinc/17/84/35/514178435.db2.gz AZHVEQCFFHRVNO-ZDUSSCGKSA-N 1 2 364.348 2.671 20 5 FFBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCc3c(F)ccc(F)c3C2)c1 ZINC000437531686 514178442 /nfs/dbraw/zinc/17/84/42/514178442.db2.gz AZHVEQCFFHRVNO-ZDUSSCGKSA-N 1 2 364.348 2.671 20 5 FFBDLO O=[N+]([O-])c1cc(I)cc(C[NH2+]C(CF)CF)c1 ZINC000449379435 514187420 /nfs/dbraw/zinc/18/74/20/514187420.db2.gz ICADBFDBKBICNX-UHFFFAOYSA-N 1 2 356.110 2.597 20 5 FFBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444325750 514193784 /nfs/dbraw/zinc/19/37/84/514193784.db2.gz AZTSIDDXQICPAB-CQSZACIVSA-N 1 2 358.401 2.623 20 5 FFBDLO C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1(F)F ZINC000427538837 514244606 /nfs/dbraw/zinc/24/46/06/514244606.db2.gz YXZSLMKSTWVHIZ-LLVKDONJSA-N 1 2 350.325 2.898 20 5 FFBDLO C[NH+](C)[C@@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000428013590 514373870 /nfs/dbraw/zinc/37/38/70/514373870.db2.gz JGMRJQGFNBAFKU-HNNXBMFYSA-N 1 2 365.336 2.611 20 5 FFBDLO CCn1cc[nH+]c1CNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000452570900 514406693 /nfs/dbraw/zinc/40/66/93/514406693.db2.gz BDXGBJHVALNPKC-AWEZNQCLSA-N 1 2 371.441 2.978 20 5 FFBDLO O=C(C[N@H+]1CC[C@H](O)CC12CCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420995016 514429111 /nfs/dbraw/zinc/42/91/11/514429111.db2.gz ODHPJGKWZLXMOU-LBPRGKRZSA-N 1 2 353.806 2.566 20 5 FFBDLO O=C(C[N@@H+]1CC[C@H](O)CC12CCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420995016 514429120 /nfs/dbraw/zinc/42/91/20/514429120.db2.gz ODHPJGKWZLXMOU-LBPRGKRZSA-N 1 2 353.806 2.566 20 5 FFBDLO O=C(NCCC[C@H]1CCCC[C@H]1O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000433262625 514437811 /nfs/dbraw/zinc/43/78/11/514437811.db2.gz QSKISICZYHPJSU-RDTXWAMCSA-N 1 2 372.425 2.842 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000452655145 514444857 /nfs/dbraw/zinc/44/48/57/514444857.db2.gz FRTQPDXEARAEIC-HDMKZQKVSA-N 1 2 370.409 2.546 20 5 FFBDLO CC(C)c1ccc(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000439147927 514501144 /nfs/dbraw/zinc/50/11/44/514501144.db2.gz VIGMLIJMRBNSPR-GOSISDBHSA-N 1 2 363.458 2.805 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1(C)C ZINC000452841231 514512793 /nfs/dbraw/zinc/51/27/93/514512793.db2.gz HLHZHIVUIZAYAH-OAHLLOKOSA-N 1 2 364.352 2.759 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000450195560 514535753 /nfs/dbraw/zinc/53/57/53/514535753.db2.gz KRTPXLFJFNQXNX-CVEARBPZSA-N 1 2 370.409 2.669 20 5 FFBDLO COc1cc(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)c([N+](=O)[O-])cc1F ZINC000450199017 514536767 /nfs/dbraw/zinc/53/67/67/514536767.db2.gz KDMBYGHYZKJIKL-NSHDSACASA-N 1 2 362.361 2.555 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000470956362 514690396 /nfs/dbraw/zinc/69/03/96/514690396.db2.gz SAFVMOAOOVBUKF-MWLCHTKSSA-N 1 2 361.320 2.815 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000470956362 514690405 /nfs/dbraw/zinc/69/04/05/514690405.db2.gz SAFVMOAOOVBUKF-MWLCHTKSSA-N 1 2 361.320 2.815 20 5 FFBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2ccnn2C2CCCC2)CC1 ZINC000453575684 514695640 /nfs/dbraw/zinc/69/56/40/514695640.db2.gz LIAPIMPYRPCCSQ-UHFFFAOYSA-N 1 2 356.430 2.624 20 5 FFBDLO CCOc1ccc(C(=O)N2CCN(c3c[nH+]ccc3C)CC2)cc1[N+](=O)[O-] ZINC000466602958 514704818 /nfs/dbraw/zinc/70/48/18/514704818.db2.gz ZSCQQVNCSKOURC-UHFFFAOYSA-N 1 2 370.409 2.659 20 5 FFBDLO CC/C=C\CC[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000466831340 514794220 /nfs/dbraw/zinc/79/42/20/514794220.db2.gz KWUURYBQOSEBRR-PLNGDYQASA-N 1 2 367.471 2.566 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3c(F)ccc(O)c3F)C2)nc1 ZINC000508679106 514863653 /nfs/dbraw/zinc/86/36/53/514863653.db2.gz LMHJDSYXDZVLNK-SNVBAGLBSA-N 1 2 350.325 2.660 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3c(F)ccc(O)c3F)C2)nc1 ZINC000508679106 514863659 /nfs/dbraw/zinc/86/36/59/514863659.db2.gz LMHJDSYXDZVLNK-SNVBAGLBSA-N 1 2 350.325 2.660 20 5 FFBDLO O=C(c1cc(-n2cc[nH+]c2)ccn1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000489630169 514922139 /nfs/dbraw/zinc/92/21/39/514922139.db2.gz ZCALEQSVGSAGQV-UHFFFAOYSA-N 1 2 363.377 2.980 20 5 FFBDLO Cc1cccc(CCNc2ncc([N+](=O)[O-])c(C)c2Br)[nH+]1 ZINC000480494085 514975945 /nfs/dbraw/zinc/97/59/45/514975945.db2.gz PRMQZHKHAHGTQY-UHFFFAOYSA-N 1 2 351.204 2.841 20 5 FFBDLO Cc1ccn2cc(CNS(=O)(=O)c3c(C)c(C)ccc3[N+](=O)[O-])[nH+]c2c1 ZINC000480925174 515137605 /nfs/dbraw/zinc/13/76/05/515137605.db2.gz IFPYLDYNVMXUND-UHFFFAOYSA-N 1 2 374.422 2.646 20 5 FFBDLO CN(C)c1[nH]c2ccc(NC(=O)COc3cccc([N+](=O)[O-])c3)cc2[nH+]1 ZINC000468034763 515202862 /nfs/dbraw/zinc/20/28/62/515202862.db2.gz ZDGOOJMZMXRWHI-UHFFFAOYSA-N 1 2 355.354 2.555 20 5 FFBDLO CO[C@@H](C)c1nc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cs1 ZINC000477061881 515309916 /nfs/dbraw/zinc/30/99/16/515309916.db2.gz BDDAQPTVOGRART-NWDGAFQWSA-N 1 2 363.443 2.840 20 5 FFBDLO CO[C@@H](C)c1nc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cs1 ZINC000477061881 515309925 /nfs/dbraw/zinc/30/99/25/515309925.db2.gz BDDAQPTVOGRART-NWDGAFQWSA-N 1 2 363.443 2.840 20 5 FFBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000504539538 515324152 /nfs/dbraw/zinc/32/41/52/515324152.db2.gz DNELARKZDCKDHL-UHFFFAOYSA-N 1 2 357.414 2.512 20 5 FFBDLO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000486095400 515330649 /nfs/dbraw/zinc/33/06/49/515330649.db2.gz ODLOHJLZZLYBDE-JTQLQIEISA-N 1 2 350.325 2.545 20 5 FFBDLO Cc1cccn2cc(CNC(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)[nH+]c12 ZINC000486239717 515394359 /nfs/dbraw/zinc/39/43/59/515394359.db2.gz CQSAZORAZKJPFY-UHFFFAOYSA-N 1 2 360.320 2.688 20 5 FFBDLO CN(C(=O)C[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000463420314 515486397 /nfs/dbraw/zinc/48/63/97/515486397.db2.gz QPVMAIONTUUNTB-UHFFFAOYSA-N 1 2 367.405 2.811 20 5 FFBDLO CN(C(=O)C[N@H+]1Cc2ccc(O)cc2C2(CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000463420314 515486407 /nfs/dbraw/zinc/48/64/07/515486407.db2.gz QPVMAIONTUUNTB-UHFFFAOYSA-N 1 2 367.405 2.811 20 5 FFBDLO COC(=O)[C@@H]1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1C ZINC000468747344 515502505 /nfs/dbraw/zinc/50/25/05/515502505.db2.gz DIMCWUKCPGEWAT-IUODEOHRSA-N 1 2 356.382 2.748 20 5 FFBDLO CCc1ccc(C(=O)N2CC[NH2+][C@H](c3ccccc3OC)C2)cc1[N+](=O)[O-] ZINC000505470105 515545451 /nfs/dbraw/zinc/54/54/51/515545451.db2.gz XMUNUDNKORAILL-KRWDZBQOSA-N 1 2 369.421 2.953 20 5 FFBDLO COc1cc(C[NH+]2CCN(c3nc(C)c(C)s3)CC2)ccc1[N+](=O)[O-] ZINC000492935990 515580540 /nfs/dbraw/zinc/58/05/40/515580540.db2.gz JHGDLDPBANIVSC-UHFFFAOYSA-N 1 2 362.455 2.999 20 5 FFBDLO Cc1ccc([C@@H](C)NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)cc1[N+](=O)[O-] ZINC000500100694 515592008 /nfs/dbraw/zinc/59/20/08/515592008.db2.gz TZBSVYASJBHXOJ-RDTXWAMCSA-N 1 2 361.442 2.581 20 5 FFBDLO Cc1ccc([C@@H](C)NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)cc1[N+](=O)[O-] ZINC000500100694 515592015 /nfs/dbraw/zinc/59/20/15/515592015.db2.gz TZBSVYASJBHXOJ-RDTXWAMCSA-N 1 2 361.442 2.581 20 5 FFBDLO CCc1cc(N2C[C@H](C)S(=O)[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000477793231 515592431 /nfs/dbraw/zinc/59/24/31/515592431.db2.gz VBHNZNOSHBFXIE-STQMWFEESA-N 1 2 374.466 2.960 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000482445454 515678565 /nfs/dbraw/zinc/67/85/65/515678565.db2.gz BJCAXGMUEZXZIQ-KDOFPFPSSA-N 1 2 350.415 2.763 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000482445454 515678571 /nfs/dbraw/zinc/67/85/71/515678571.db2.gz BJCAXGMUEZXZIQ-KDOFPFPSSA-N 1 2 350.415 2.763 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000494653428 515910349 /nfs/dbraw/zinc/91/03/49/515910349.db2.gz YWNVEHNNFFIJFQ-UHFFFAOYSA-N 1 2 370.340 2.858 20 5 FFBDLO COc1cc(Br)ccc1[C@H](C)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000469754541 515951354 /nfs/dbraw/zinc/95/13/54/515951354.db2.gz YIRQTUJAMJSMKX-VIFPVBQESA-N 1 2 369.219 2.950 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000479118024 516064594 /nfs/dbraw/zinc/06/45/94/516064594.db2.gz CUYBUMKTADBZKB-HNNXBMFYSA-N 1 2 355.394 2.859 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000479118024 516064604 /nfs/dbraw/zinc/06/46/04/516064604.db2.gz CUYBUMKTADBZKB-HNNXBMFYSA-N 1 2 355.394 2.859 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000495138066 516077649 /nfs/dbraw/zinc/07/76/49/516077649.db2.gz MNMFELSIBFUPKM-UHFFFAOYSA-N 1 2 373.384 2.701 20 5 FFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1Cc2ccccc2C[C@H]1C(N)=O ZINC000470170756 516159786 /nfs/dbraw/zinc/15/97/86/516159786.db2.gz ZWKDMLKTIZZXAX-SZJVNEJHSA-N 1 2 351.406 2.910 20 5 FFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1Cc2ccccc2C[C@H]1C(N)=O ZINC000470170756 516159796 /nfs/dbraw/zinc/15/97/96/516159796.db2.gz ZWKDMLKTIZZXAX-SZJVNEJHSA-N 1 2 351.406 2.910 20 5 FFBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCCOc1ccc3c(c1)OCO3)CC2 ZINC000495453455 516167479 /nfs/dbraw/zinc/16/74/79/516167479.db2.gz CMVLMRMZRAOKFZ-UHFFFAOYSA-N 1 2 357.366 2.546 20 5 FFBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCCOc1ccc3c(c1)OCO3)CC2 ZINC000495453455 516167491 /nfs/dbraw/zinc/16/74/91/516167491.db2.gz CMVLMRMZRAOKFZ-UHFFFAOYSA-N 1 2 357.366 2.546 20 5 FFBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(Cc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000479374775 516167920 /nfs/dbraw/zinc/16/79/20/516167920.db2.gz IYXJVTUDKBVAAS-UHFFFAOYSA-N 1 2 372.360 2.585 20 5 FFBDLO Cc1ccc2c(c1)C[N@@H+](CC(=O)N1CCc3cc([N+](=O)[O-])ccc31)CCO2 ZINC000512246043 516209500 /nfs/dbraw/zinc/20/95/00/516209500.db2.gz SRMFFMVBSCCRQZ-UHFFFAOYSA-N 1 2 367.405 2.687 20 5 FFBDLO Cc1ccc2c(c1)C[N@H+](CC(=O)N1CCc3cc([N+](=O)[O-])ccc31)CCO2 ZINC000512246043 516209506 /nfs/dbraw/zinc/20/95/06/516209506.db2.gz SRMFFMVBSCCRQZ-UHFFFAOYSA-N 1 2 367.405 2.687 20 5 FFBDLO Cn1cc(-c2ncc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)cn2)cn1 ZINC000474920662 516235156 /nfs/dbraw/zinc/23/51/56/516235156.db2.gz FQIUJLDYIFQJOW-UHFFFAOYSA-N 1 2 358.789 2.729 20 5 FFBDLO Cc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000507537272 516236037 /nfs/dbraw/zinc/23/60/37/516236037.db2.gz YDWCMJQZQXAAFZ-AWEZNQCLSA-N 1 2 369.468 2.546 20 5 FFBDLO Cc1ccc(CC(=O)N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000507610281 516262135 /nfs/dbraw/zinc/26/21/35/516262135.db2.gz TYOAXNVDAZRFRD-UHFFFAOYSA-N 1 2 353.422 2.790 20 5 FFBDLO C[N@H+](Cc1cscn1)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)c1 ZINC000512677216 516320350 /nfs/dbraw/zinc/32/03/50/516320350.db2.gz HUXHNQSRQTWECH-UHFFFAOYSA-N 1 2 372.410 2.659 20 5 FFBDLO C[N@@H+](Cc1cscn1)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)c1 ZINC000512677216 516320353 /nfs/dbraw/zinc/32/03/53/516320353.db2.gz HUXHNQSRQTWECH-UHFFFAOYSA-N 1 2 372.410 2.659 20 5 FFBDLO C[NH+](C)[C@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])c1ccsc1 ZINC000497539174 516325720 /nfs/dbraw/zinc/32/57/20/516325720.db2.gz ACCLQDBQZDFVFE-CYBMUJFWSA-N 1 2 369.468 2.775 20 5 FFBDLO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCc1ccc(N(C)C)[nH+]c1 ZINC000522900141 516346360 /nfs/dbraw/zinc/34/63/60/516346360.db2.gz BCKOUNVLNLIDSF-UHFFFAOYSA-N 1 2 362.361 2.984 20 5 FFBDLO COc1cc(NC[C@@H](CC(C)C)[NH+]2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000535628898 516427421 /nfs/dbraw/zinc/42/74/21/516427421.db2.gz JCRZUXBGMVLLKT-CYBMUJFWSA-N 1 2 355.410 2.901 20 5 FFBDLO Cc1ccccc1[C@H](CO)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000543841093 516455597 /nfs/dbraw/zinc/45/55/97/516455597.db2.gz ZGDAAMUHPGPCJN-INIZCTEOSA-N 1 2 354.366 2.776 20 5 FFBDLO Cc1ccccc1[C@@H](CO)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000543841094 516455989 /nfs/dbraw/zinc/45/59/89/516455989.db2.gz ZGDAAMUHPGPCJN-MRXNPFEDSA-N 1 2 354.366 2.776 20 5 FFBDLO O=C(NCc1[nH+]ccn1CCCc1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000531634212 516565163 /nfs/dbraw/zinc/56/51/63/516565163.db2.gz RXKLMSVBWYSCSG-UHFFFAOYSA-N 1 2 365.393 2.749 20 5 FFBDLO C[N@H+](Cc1cscn1)Cc1cccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])c1 ZINC000554857506 516666678 /nfs/dbraw/zinc/66/66/78/516666678.db2.gz DOIQIIOIXZFHLD-UHFFFAOYSA-N 1 2 372.410 2.659 20 5 FFBDLO C[N@@H+](Cc1cscn1)Cc1cccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])c1 ZINC000554857506 516666686 /nfs/dbraw/zinc/66/66/86/516666686.db2.gz DOIQIIOIXZFHLD-UHFFFAOYSA-N 1 2 372.410 2.659 20 5 FFBDLO COc1ccccc1CN1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000524434776 516720097 /nfs/dbraw/zinc/72/00/97/516720097.db2.gz KMPQTZLBTXYCGU-UHFFFAOYSA-N 1 2 371.437 2.800 20 5 FFBDLO COc1cccc([N+](=O)[O-])c1N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000561880630 516812855 /nfs/dbraw/zinc/81/28/55/516812855.db2.gz PKMMQGPSTRBWOS-UHFFFAOYSA-N 1 2 367.409 2.573 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000562050369 516895545 /nfs/dbraw/zinc/89/55/45/516895545.db2.gz QNMCBDKSTCKNFW-UHFFFAOYSA-N 1 2 374.422 2.646 20 5 FFBDLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1c[nH]nc1[N+](=O)[O-] ZINC000548410731 516966345 /nfs/dbraw/zinc/96/63/45/516966345.db2.gz MUJOWKPNIPZJLR-UHFFFAOYSA-N 1 2 352.354 2.770 20 5 FFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000559149879 517102473 /nfs/dbraw/zinc/10/24/73/517102473.db2.gz NZZMQYNEXLSIBG-CQSZACIVSA-N 1 2 367.199 2.886 20 5 FFBDLO Cc1cccc(NCC[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000552277597 517175063 /nfs/dbraw/zinc/17/50/63/517175063.db2.gz ZHAILTMCVVMRRL-SFHVURJKSA-N 1 2 366.425 2.823 20 5 FFBDLO CCc1nocc1C[N@H+](C)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000559368274 517217961 /nfs/dbraw/zinc/21/79/61/517217961.db2.gz CMKLFEGONKGRJR-LLVKDONJSA-N 1 2 362.386 2.613 20 5 FFBDLO CCc1nocc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000559368274 517217970 /nfs/dbraw/zinc/21/79/70/517217970.db2.gz CMKLFEGONKGRJR-LLVKDONJSA-N 1 2 362.386 2.613 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000549140197 517419947 /nfs/dbraw/zinc/41/99/47/517419947.db2.gz MFQCUBFVUUTCMX-SFHVURJKSA-N 1 2 373.453 2.844 20 5 FFBDLO COc1cc(C[N@H+](CCNC(C)=O)Cc2ccsc2)ccc1[N+](=O)[O-] ZINC000549151715 517425494 /nfs/dbraw/zinc/42/54/94/517425494.db2.gz YWZQTCASLMCPMW-UHFFFAOYSA-N 1 2 363.439 2.803 20 5 FFBDLO COc1cc(C[N@@H+](CCNC(C)=O)Cc2ccsc2)ccc1[N+](=O)[O-] ZINC000549151715 517425506 /nfs/dbraw/zinc/42/55/06/517425506.db2.gz YWZQTCASLMCPMW-UHFFFAOYSA-N 1 2 363.439 2.803 20 5 FFBDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000538272470 517534240 /nfs/dbraw/zinc/53/42/40/517534240.db2.gz BREWKGDEIRDZOJ-CYBMUJFWSA-N 1 2 358.373 2.648 20 5 FFBDLO COc1ccc(S(=O)(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)c([N+](=O)[O-])c1 ZINC000533949345 517680385 /nfs/dbraw/zinc/68/03/85/517680385.db2.gz QMSVBTNIMDFSDD-UHFFFAOYSA-N 1 2 362.367 2.589 20 5 FFBDLO O=C1CCCN1C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000549928245 517788908 /nfs/dbraw/zinc/78/89/08/517788908.db2.gz LITSZCPIGYNGRI-QGZVFWFLSA-N 1 2 355.394 2.754 20 5 FFBDLO Cc1cc(N(C)C[C@@H]2C[C@H](F)C[N@@H+]2Cc2ccnn2C)ccc1[N+](=O)[O-] ZINC000530478007 517800273 /nfs/dbraw/zinc/80/02/73/517800273.db2.gz VGOFRCUPNARIKX-YOEHRIQHSA-N 1 2 361.421 2.686 20 5 FFBDLO Cc1cc(N(C)C[C@@H]2C[C@H](F)C[N@H+]2Cc2ccnn2C)ccc1[N+](=O)[O-] ZINC000530478007 517800283 /nfs/dbraw/zinc/80/02/83/517800283.db2.gz VGOFRCUPNARIKX-YOEHRIQHSA-N 1 2 361.421 2.686 20 5 FFBDLO C[C@H]1COc2ccccc2C[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000542941886 517829007 /nfs/dbraw/zinc/82/90/07/517829007.db2.gz HOMMZTOHNGNVMK-AWEZNQCLSA-N 1 2 367.405 2.767 20 5 FFBDLO C[C@H]1COc2ccccc2C[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000542941886 517829010 /nfs/dbraw/zinc/82/90/10/517829010.db2.gz HOMMZTOHNGNVMK-AWEZNQCLSA-N 1 2 367.405 2.767 20 5 FFBDLO CNc1ccc(-c2nc(Cc3cn4ccccc4[nH+]3)no2)cc1[N+](=O)[O-] ZINC000547016764 517956210 /nfs/dbraw/zinc/95/62/10/517956210.db2.gz LTFYOUFSRSGAOQ-UHFFFAOYSA-N 1 2 350.338 2.925 20 5 FFBDLO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000586119871 518621083 /nfs/dbraw/zinc/62/10/83/518621083.db2.gz KGFFOQSTDJKZFA-UHFFFAOYSA-N 1 2 369.421 2.957 20 5 FFBDLO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000586119871 518621089 /nfs/dbraw/zinc/62/10/89/518621089.db2.gz KGFFOQSTDJKZFA-UHFFFAOYSA-N 1 2 369.421 2.957 20 5 FFBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000588005821 518699553 /nfs/dbraw/zinc/69/95/53/518699553.db2.gz FOCQWDXPOSOURM-ZDUSSCGKSA-N 1 2 356.382 2.776 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000579650325 518780755 /nfs/dbraw/zinc/78/07/55/518780755.db2.gz COWCKBGXPWSGJC-YJBOKZPZSA-N 1 2 359.426 2.875 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000579650325 518780761 /nfs/dbraw/zinc/78/07/61/518780761.db2.gz COWCKBGXPWSGJC-YJBOKZPZSA-N 1 2 359.426 2.875 20 5 FFBDLO O=C(Nc1cc[nH+]c(N2CCc3ccccc3C2)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000582562435 518813196 /nfs/dbraw/zinc/81/31/96/518813196.db2.gz YXNMJIOPXJYVSJ-UHFFFAOYSA-N 1 2 364.365 2.528 20 5 FFBDLO CNc1nccc(C(=O)Nc2ccc3[nH]c(C(C)(C)C)[nH+]c3c2)c1[N+](=O)[O-] ZINC000579728100 518824112 /nfs/dbraw/zinc/82/41/12/518824112.db2.gz CGSGERANYMFRJX-UHFFFAOYSA-N 1 2 368.397 2.880 20 5 FFBDLO CC(C)n1ccc(CN[C@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000583099295 519075310 /nfs/dbraw/zinc/07/53/10/519075310.db2.gz IWIUFAOMKNFPAY-KRWDZBQOSA-N 1 2 354.414 2.985 20 5 FFBDLO CCc1[nH]nc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1[N+](=O)[O-] ZINC000574354618 519114845 /nfs/dbraw/zinc/11/48/45/519114845.db2.gz ZMEQKNCPBUDAFL-UHFFFAOYSA-N 1 2 360.761 2.972 20 5 FFBDLO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000590052791 519137789 /nfs/dbraw/zinc/13/77/89/519137789.db2.gz BJNLLFVSPKKZEX-IOBAAEILSA-N 1 2 352.456 2.897 20 5 FFBDLO CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000590052791 519137798 /nfs/dbraw/zinc/13/77/98/519137798.db2.gz BJNLLFVSPKKZEX-IOBAAEILSA-N 1 2 352.456 2.897 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1nnnn1-c1ccccc1)CCC2 ZINC000568713107 519175707 /nfs/dbraw/zinc/17/57/07/519175707.db2.gz ZFWCUBPFMKLHJC-KRWDZBQOSA-N 1 2 350.382 2.738 20 5 FFBDLO COC(=O)c1c(Cl)c(NCC[N@@H+]2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000590576605 519272134 /nfs/dbraw/zinc/27/21/34/519272134.db2.gz WZOXMNUCKFGUSV-UHFFFAOYSA-N 1 2 371.821 2.558 20 5 FFBDLO COC(=O)c1c(Cl)c(NCC[N@H+]2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000590576605 519272140 /nfs/dbraw/zinc/27/21/40/519272140.db2.gz WZOXMNUCKFGUSV-UHFFFAOYSA-N 1 2 371.821 2.558 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](CC(=O)NCCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000566436113 519493881 /nfs/dbraw/zinc/49/38/81/519493881.db2.gz ZSMPTWAXFHJRAQ-CYBMUJFWSA-N 1 2 370.331 2.723 20 5 FFBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000578265291 519502230 /nfs/dbraw/zinc/50/22/30/519502230.db2.gz IVCKHCKSFDAACD-MRVPVSSYSA-N 1 2 353.176 2.880 20 5 FFBDLO C[C@H]1C[C@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000599991142 519987850 /nfs/dbraw/zinc/98/78/50/519987850.db2.gz BBZJBBNYKWMJPU-WPRPVWTQSA-N 1 2 365.187 2.990 20 5 FFBDLO Cc1cccc([C@H]2C(=O)NCC[N@H+]2CCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000594629370 520061546 /nfs/dbraw/zinc/06/15/46/520061546.db2.gz GMIFBPVWYRDNTQ-IBGZPJMESA-N 1 2 369.421 2.845 20 5 FFBDLO Cc1cccc([C@H]2C(=O)NCC[N@@H+]2CCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000594629370 520061553 /nfs/dbraw/zinc/06/15/53/520061553.db2.gz GMIFBPVWYRDNTQ-IBGZPJMESA-N 1 2 369.421 2.845 20 5 FFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000600206275 520124539 /nfs/dbraw/zinc/12/45/39/520124539.db2.gz DHROXYNVFVMHIY-FIRJTHROSA-N 1 2 350.440 2.650 20 5 FFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000600206275 520124546 /nfs/dbraw/zinc/12/45/46/520124546.db2.gz DHROXYNVFVMHIY-FIRJTHROSA-N 1 2 350.440 2.650 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000600280094 520176230 /nfs/dbraw/zinc/17/62/30/520176230.db2.gz XWQOWQXVDKJTGR-KGLIPLIRSA-N 1 2 358.423 2.891 20 5 FFBDLO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1OC ZINC000609130959 520199715 /nfs/dbraw/zinc/19/97/15/520199715.db2.gz DIRCFGWXBLAGBX-ZDUSSCGKSA-N 1 2 374.397 2.676 20 5 FFBDLO COc1cc([N+](=O)[O-])c(C(=O)NCCCCn2cc[nH+]c2)cc1SC ZINC000609135966 520202758 /nfs/dbraw/zinc/20/27/58/520202758.db2.gz QWNBBDCZFAKDRC-UHFFFAOYSA-N 1 2 364.427 2.732 20 5 FFBDLO O=[N+]([O-])c1ncccc1N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000603419325 520256917 /nfs/dbraw/zinc/25/69/17/520256917.db2.gz LTVAPZSGQORODY-UHFFFAOYSA-N 1 2 353.304 2.730 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(CCO)CC1 ZINC000609312132 520270302 /nfs/dbraw/zinc/27/03/02/520270302.db2.gz FODHVIGVLRMBJC-NSHDSACASA-N 1 2 355.822 2.670 20 5 FFBDLO COc1cc(C(=O)NCc2ccc[nH+]c2N2CCCC2)c([N+](=O)[O-])cc1F ZINC000597941431 520341460 /nfs/dbraw/zinc/34/14/60/520341460.db2.gz POVJSMWKKXYMAF-UHFFFAOYSA-N 1 2 374.372 2.668 20 5 FFBDLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)[C@H]1C ZINC000603681388 520341746 /nfs/dbraw/zinc/34/17/46/520341746.db2.gz BPPRTVZTWJEMMN-JTDSTZFVSA-N 1 2 374.485 2.658 20 5 FFBDLO O=C(N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000609530149 520344253 /nfs/dbraw/zinc/34/42/53/520344253.db2.gz VBYDMFFPJQKVNQ-LLVKDONJSA-N 1 2 364.352 2.596 20 5 FFBDLO O=C(N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000609530149 520344259 /nfs/dbraw/zinc/34/42/59/520344259.db2.gz VBYDMFFPJQKVNQ-LLVKDONJSA-N 1 2 364.352 2.596 20 5 FFBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000609528334 520344656 /nfs/dbraw/zinc/34/46/56/520344656.db2.gz XLPZPBXXTMUSLY-MRXNPFEDSA-N 1 2 373.409 2.668 20 5 FFBDLO CCc1cc(N2CC[S@](=O)[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000610078330 520530696 /nfs/dbraw/zinc/53/06/96/520530696.db2.gz DELLLFYMJXXHGO-YDBLSZJJSA-N 1 2 360.439 2.571 20 5 FFBDLO CN(C)c1ccc(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)c[nH+]1 ZINC000600995515 520583331 /nfs/dbraw/zinc/58/33/31/520583331.db2.gz RMQYYJJAZWQXCL-UHFFFAOYSA-N 1 2 354.410 2.794 20 5 FFBDLO O=C(N=c1cc(-c2ccccc2)[nH][nH]1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000604521584 520588816 /nfs/dbraw/zinc/58/88/16/520588816.db2.gz DANSEOGZQZWMLL-UHFFFAOYSA-N 1 2 374.360 2.845 20 5 FFBDLO CO[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CCCC1 ZINC000598394626 520594423 /nfs/dbraw/zinc/59/44/23/520594423.db2.gz TWAOCNHQIFLPKT-QGZVFWFLSA-N 1 2 358.398 2.716 20 5 FFBDLO C[C@H]1CCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@H]1n1cc[nH+]c1 ZINC000601129364 520650187 /nfs/dbraw/zinc/65/01/87/520650187.db2.gz GUULZDXAKQKZPI-VHSXEESVSA-N 1 2 358.324 2.631 20 5 FFBDLO COc1cc(F)c(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000601148608 520659398 /nfs/dbraw/zinc/65/93/98/520659398.db2.gz FGDHIEILNDQCBP-SFHVURJKSA-N 1 2 364.373 2.748 20 5 FFBDLO COc1ccc2c(c1)CC[N@@H+](CC(=O)N1CCc3cc([N+](=O)[O-])ccc31)C2 ZINC000595758232 520704605 /nfs/dbraw/zinc/70/46/05/520704605.db2.gz DKYOSXAQSPDKHR-UHFFFAOYSA-N 1 2 367.405 2.551 20 5 FFBDLO COc1ccc2c(c1)CC[N@H+](CC(=O)N1CCc3cc([N+](=O)[O-])ccc31)C2 ZINC000595758232 520704610 /nfs/dbraw/zinc/70/46/10/520704610.db2.gz DKYOSXAQSPDKHR-UHFFFAOYSA-N 1 2 367.405 2.551 20 5 FFBDLO CCN(CC)c1ccc(CNc2nccc(C(=O)OC)c2[N+](=O)[O-])c[nH+]1 ZINC000598591653 520732246 /nfs/dbraw/zinc/73/22/46/520732246.db2.gz XSSUFOITAYGNRJ-UHFFFAOYSA-N 1 2 359.386 2.630 20 5 FFBDLO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000595800964 520734901 /nfs/dbraw/zinc/73/49/01/520734901.db2.gz PBHIUGLDLFRACZ-CYBMUJFWSA-N 1 2 372.429 2.592 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000595836674 520758569 /nfs/dbraw/zinc/75/85/69/520758569.db2.gz YAHVSJJVIIESSR-IJLUTSLNSA-N 1 2 353.806 2.544 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000595836674 520758570 /nfs/dbraw/zinc/75/85/70/520758570.db2.gz YAHVSJJVIIESSR-IJLUTSLNSA-N 1 2 353.806 2.544 20 5 FFBDLO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000610786195 520843652 /nfs/dbraw/zinc/84/36/52/520843652.db2.gz AHJDPAUOQXTUAP-NSHDSACASA-N 1 2 350.396 2.555 20 5 FFBDLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000601706318 520913776 /nfs/dbraw/zinc/91/37/76/520913776.db2.gz QHLABEKVFBKXQH-ZBFHGGJFSA-N 1 2 369.421 2.798 20 5 FFBDLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000601706318 520913783 /nfs/dbraw/zinc/91/37/83/520913783.db2.gz QHLABEKVFBKXQH-ZBFHGGJFSA-N 1 2 369.421 2.798 20 5 FFBDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1c1ccc(N)c([N+](=O)[O-])n1 ZINC000596173868 520951944 /nfs/dbraw/zinc/95/19/44/520951944.db2.gz BFOSWOSKIGOMDP-CYBMUJFWSA-N 1 2 352.398 2.899 20 5 FFBDLO Cc1cn2c([nH+]1)[C@@H](CNc1cc3nc[nH]c(=O)c3cc1[N+](=O)[O-])CCC2 ZINC000611030544 520954439 /nfs/dbraw/zinc/95/44/39/520954439.db2.gz MYYPJYIZFUDJRY-LLVKDONJSA-N 1 2 354.370 2.738 20 5 FFBDLO COC(=O)Cc1ccc(NCC2CC[NH+](CC(F)F)CC2)c([N+](=O)[O-])c1 ZINC000596240321 520990514 /nfs/dbraw/zinc/99/05/14/520990514.db2.gz WJYGOSRQQOSYLC-UHFFFAOYSA-N 1 2 371.384 2.699 20 5 FFBDLO COCCC(=O)N1CCC(Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599056762 521004953 /nfs/dbraw/zinc/00/49/53/521004953.db2.gz NKTGUONEQDLSEY-UHFFFAOYSA-N 1 2 358.398 2.582 20 5 FFBDLO CNC(=O)[C@@]1(C(F)(F)F)CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599092511 521027658 /nfs/dbraw/zinc/02/76/58/521027658.db2.gz JHVRYRRVBMGWST-OAHLLOKOSA-N 1 2 368.315 2.648 20 5 FFBDLO O=[N+]([O-])c1ccc(N(CC[NH+]2CCOCC2)CC2CC2)cc1OC(F)F ZINC000596518870 521111640 /nfs/dbraw/zinc/11/16/40/521111640.db2.gz XZJMJGHXMKZLEQ-UHFFFAOYSA-N 1 2 371.384 2.745 20 5 FFBDLO COC(=O)c1cnc(C2CC[NH+](Cc3onc(C)c3[N+](=O)[O-])CC2)s1 ZINC000599556525 521297790 /nfs/dbraw/zinc/29/77/90/521297790.db2.gz LGQARRAAWPDCGM-UHFFFAOYSA-N 1 2 366.399 2.514 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599639334 521351282 /nfs/dbraw/zinc/35/12/82/521351282.db2.gz CSLUUWSFRUHQEW-BWACUDIHSA-N 1 2 367.833 2.670 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599639334 521351289 /nfs/dbraw/zinc/35/12/89/521351289.db2.gz CSLUUWSFRUHQEW-BWACUDIHSA-N 1 2 367.833 2.670 20 5 FFBDLO COc1cccc2c1CC[N@H+](Cc1cc3c(cc1[N+](=O)[O-])OCCO3)C2 ZINC000611983992 521419394 /nfs/dbraw/zinc/41/93/94/521419394.db2.gz DMXNTMRSNCDAIJ-UHFFFAOYSA-N 1 2 356.378 2.933 20 5 FFBDLO COc1cccc2c1CC[N@@H+](Cc1cc3c(cc1[N+](=O)[O-])OCCO3)C2 ZINC000611983992 521419403 /nfs/dbraw/zinc/41/94/03/521419403.db2.gz DMXNTMRSNCDAIJ-UHFFFAOYSA-N 1 2 356.378 2.933 20 5 FFBDLO CC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(=O)OC(C)(C)C ZINC000602587120 521425888 /nfs/dbraw/zinc/42/58/88/521425888.db2.gz FJBPAIOCWPHADG-OAHLLOKOSA-N 1 2 364.446 2.669 20 5 FFBDLO C[C@H]1C[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)c2ncnn21 ZINC000602709394 521488645 /nfs/dbraw/zinc/48/86/45/521488645.db2.gz SRNDASYPUNBQBK-IMTBSYHQSA-N 1 2 358.221 2.806 20 5 FFBDLO CCn1nc(C)c(C[N@H+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])c1C ZINC000602727981 521499760 /nfs/dbraw/zinc/49/97/60/521499760.db2.gz GWAYVCBLCMVYCO-UHFFFAOYSA-N 1 2 360.414 2.847 20 5 FFBDLO CCn1nc(C)c(C[N@@H+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])c1C ZINC000602727981 521499767 /nfs/dbraw/zinc/49/97/67/521499767.db2.gz GWAYVCBLCMVYCO-UHFFFAOYSA-N 1 2 360.414 2.847 20 5 FFBDLO Cc1cc(C)c(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(C)n1 ZINC000602796366 521537422 /nfs/dbraw/zinc/53/74/22/521537422.db2.gz YDQCWJRBQMGKOW-UHFFFAOYSA-N 1 2 368.437 2.873 20 5 FFBDLO CCCn1nccc1NC(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000602797684 521538170 /nfs/dbraw/zinc/53/81/70/521538170.db2.gz NVHHFDWPIUZRKX-UHFFFAOYSA-N 1 2 357.414 2.804 20 5 FFBDLO CCCn1nccc1NC(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000602797684 521538179 /nfs/dbraw/zinc/53/81/79/521538179.db2.gz NVHHFDWPIUZRKX-UHFFFAOYSA-N 1 2 357.414 2.804 20 5 FFBDLO Cc1nc(NCc2ccccc2OCC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000471046680 560997020 /nfs/dbraw/zinc/99/70/20/560997020.db2.gz HVGAHOQIYPCQRY-UHFFFAOYSA-N 1 2 372.425 2.621 20 5 FFBDLO CN(Cc1ccccc1[N+](=O)[O-])c1c(-c2nn[nH]n2)c[nH+]c2ccccc21 ZINC000736828079 599269212 /nfs/dbraw/zinc/26/92/12/599269212.db2.gz HDDFKJGKKVNGCL-UHFFFAOYSA-N 1 2 361.365 2.960 20 5 FFBDLO CC(=O)N(C)C1CC[NH+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CC1 ZINC000128755105 728709438 /nfs/dbraw/zinc/70/94/38/728709438.db2.gz RNLXARVSGGQUPQ-UHFFFAOYSA-N 1 2 364.427 2.772 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000856792409 730357952 /nfs/dbraw/zinc/35/79/52/730357952.db2.gz RFOKMNQOJBNWIK-IJLUTSLNSA-N 1 2 355.822 2.526 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000856792409 730357956 /nfs/dbraw/zinc/35/79/56/730357956.db2.gz RFOKMNQOJBNWIK-IJLUTSLNSA-N 1 2 355.822 2.526 20 5 FFBDLO CC(C)(C)OC(=O)[C@@]1(C)CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000859381443 730452811 /nfs/dbraw/zinc/45/28/11/730452811.db2.gz PSJOWRFUWQCWDW-CRAIPNDOSA-N 1 2 350.415 2.824 20 5 FFBDLO CC(C)(C)OC(=O)[C@@]1(C)CCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000859381443 730452812 /nfs/dbraw/zinc/45/28/12/730452812.db2.gz PSJOWRFUWQCWDW-CRAIPNDOSA-N 1 2 350.415 2.824 20 5 FFBDLO C[C@H]1CCOCC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878373762 732522419 /nfs/dbraw/zinc/52/24/19/732522419.db2.gz OICJZNYKZGJRAW-JTQLQIEISA-N 1 2 352.778 2.909 20 5 FFBDLO C[C@H]1CCOCC[N@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878373762 732522423 /nfs/dbraw/zinc/52/24/23/732522423.db2.gz OICJZNYKZGJRAW-JTQLQIEISA-N 1 2 352.778 2.909 20 5 FFBDLO C[NH+](C)Cc1csc(CNc2ncc(Br)cc2[N+](=O)[O-])n1 ZINC000895480253 735012709 /nfs/dbraw/zinc/01/27/09/735012709.db2.gz FFHGONGSMXCWTL-UHFFFAOYSA-N 1 2 372.248 2.883 20 5 FFBDLO COc1cc([C@@H](C)[NH2+]Cc2c(Br)cnn2C)cc([N+](=O)[O-])c1 ZINC000903209303 736055111 /nfs/dbraw/zinc/05/51/11/736055111.db2.gz KFGOOMHZWAECFK-SECBINFHSA-N 1 2 369.219 2.950 20 5 FFBDLO Cc1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc[nH+]1 ZINC000755008401 736226311 /nfs/dbraw/zinc/22/63/11/736226311.db2.gz MJOKDNOTDHIRGF-UHFFFAOYSA-N 1 2 354.135 2.874 20 5 FFBDLO CN(CC(F)F)C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000769753717 737561978 /nfs/dbraw/zinc/56/19/78/737561978.db2.gz VCFDUEZDYQZEJY-UHFFFAOYSA-N 1 2 353.373 2.632 20 5 FFBDLO C[N@H+](CC(F)F)C1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000769753717 737561981 /nfs/dbraw/zinc/56/19/81/737561981.db2.gz VCFDUEZDYQZEJY-UHFFFAOYSA-N 1 2 353.373 2.632 20 5 FFBDLO C[N@@H+](CC(F)F)C1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000769753717 737561983 /nfs/dbraw/zinc/56/19/83/737561983.db2.gz VCFDUEZDYQZEJY-UHFFFAOYSA-N 1 2 353.373 2.632 20 5 FFBDLO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1cccc(S(N)(=O)=O)c1 ZINC000774457575 737992059 /nfs/dbraw/zinc/99/20/59/737992059.db2.gz JMPINFDGNKDNRP-JTQLQIEISA-N 1 2 369.830 2.746 20 5 FFBDLO O=[N+]([O-])c1ccnn1C[NH+]1CCC(COc2ccc(Cl)nc2)CC1 ZINC000788373061 739238833 /nfs/dbraw/zinc/23/88/33/739238833.db2.gz OJTQLDXVUUORPS-UHFFFAOYSA-N 1 2 351.794 2.588 20 5 FFBDLO O=C1CCCN1[C@@H]1CC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000790455921 739456545 /nfs/dbraw/zinc/45/65/45/739456545.db2.gz QSLCJAWSBQJLKK-GFCCVEGCSA-N 1 2 362.411 2.526 20 5 FFBDLO O=C1CCCN1[C@@H]1CC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000790455921 739456547 /nfs/dbraw/zinc/45/65/47/739456547.db2.gz QSLCJAWSBQJLKK-GFCCVEGCSA-N 1 2 362.411 2.526 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000934334284 739767683 /nfs/dbraw/zinc/76/76/83/739767683.db2.gz UBMOPQWJVTXYOL-ZDUSSCGKSA-N 1 2 360.439 2.863 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000934334284 739767686 /nfs/dbraw/zinc/76/76/86/739767686.db2.gz UBMOPQWJVTXYOL-ZDUSSCGKSA-N 1 2 360.439 2.863 20 5 FFBDLO CC1=C(Br)C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000797529293 740254113 /nfs/dbraw/zinc/25/41/13/740254113.db2.gz OYBHJRKSQIGPTA-ZDUSSCGKSA-N 1 2 371.231 2.709 20 5 FFBDLO CC1=C(Br)C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000797529293 740254119 /nfs/dbraw/zinc/25/41/19/740254119.db2.gz OYBHJRKSQIGPTA-ZDUSSCGKSA-N 1 2 371.231 2.709 20 5 FFBDLO C[C@@H]1C[NH+](C(C)(C)CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000804338982 740861539 /nfs/dbraw/zinc/86/15/39/740861539.db2.gz LFJYOXIEYIWIHS-VXGBXAGGSA-N 1 2 352.391 2.803 20 5 FFBDLO O=C(NC[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1)C(F)(F)F ZINC000810065930 741380050 /nfs/dbraw/zinc/38/00/50/741380050.db2.gz GDCQEFIPFSTFJK-VIFPVBQESA-N 1 2 351.350 2.547 20 5 FFBDLO O=C(NC[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1)C(F)(F)F ZINC000810065930 741380056 /nfs/dbraw/zinc/38/00/56/741380056.db2.gz GDCQEFIPFSTFJK-VIFPVBQESA-N 1 2 351.350 2.547 20 5 FFBDLO Cc1cnn([C@@H]2CC[N@H+](CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])C2)c1 ZINC000810123694 741390680 /nfs/dbraw/zinc/39/06/80/741390680.db2.gz REVVCKIVIVBVSH-CYBMUJFWSA-N 1 2 363.805 2.639 20 5 FFBDLO Cc1cnn([C@@H]2CC[N@@H+](CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])C2)c1 ZINC000810123694 741390684 /nfs/dbraw/zinc/39/06/84/741390684.db2.gz REVVCKIVIVBVSH-CYBMUJFWSA-N 1 2 363.805 2.639 20 5 FFBDLO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@H]1CSCCS1 ZINC000813173666 741684613 /nfs/dbraw/zinc/68/46/13/741684613.db2.gz ILNTXYGJWLVKDC-LSDHHAIUSA-N 1 2 368.480 2.561 20 5 FFBDLO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@H]1CSCCS1 ZINC000813173666 741684615 /nfs/dbraw/zinc/68/46/15/741684615.db2.gz ILNTXYGJWLVKDC-LSDHHAIUSA-N 1 2 368.480 2.561 20 5 FFBDLO NC(Cc1cccnc1)=[NH+]OCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000814264680 741806945 /nfs/dbraw/zinc/80/69/45/741806945.db2.gz BFOBYFFOXGRZIY-UHFFFAOYSA-N 1 2 365.187 2.993 20 5 FFBDLO CC(C)(CCC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)[N+](=O)[O-] ZINC000829898002 745276286 /nfs/dbraw/zinc/27/62/86/745276286.db2.gz RNXDNKYZUPCOJI-UHFFFAOYSA-N 1 2 353.850 2.650 20 5 FFBDLO CC(C)(CCC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)[N+](=O)[O-] ZINC000829898002 745276290 /nfs/dbraw/zinc/27/62/90/745276290.db2.gz RNXDNKYZUPCOJI-UHFFFAOYSA-N 1 2 353.850 2.650 20 5 FFBDLO Cc1nn(C[N@H+]2CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000842615164 747638523 /nfs/dbraw/zinc/63/85/23/747638523.db2.gz MCKFHOICRYSMRV-RISCZKNCSA-N 1 2 352.435 2.665 20 5 FFBDLO Cc1nn(C[N@@H+]2CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000842615164 747638524 /nfs/dbraw/zinc/63/85/24/747638524.db2.gz MCKFHOICRYSMRV-RISCZKNCSA-N 1 2 352.435 2.665 20 5 FFBDLO C[C@H](CO)C1CC[NH+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000844416814 748025553 /nfs/dbraw/zinc/02/55/53/748025553.db2.gz RKJJHXUBTNRZFW-NEPJUHHUSA-N 1 2 369.849 2.916 20 5 FFBDLO O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)c1 ZINC000850395124 749358782 /nfs/dbraw/zinc/35/87/82/749358782.db2.gz AWYWMXLJEJVBRB-IAGOWNOFSA-N 1 2 365.861 2.981 20 5 FFBDLO Cc1noc(C[N@H+](C)C[C@H](O)c2cccc(Br)c2)c1[N+](=O)[O-] ZINC000852171398 749793075 /nfs/dbraw/zinc/79/30/75/749793075.db2.gz FFTUUUISXRBNHD-LBPRGKRZSA-N 1 2 370.203 2.819 20 5 FFBDLO Cc1noc(C[N@@H+](C)C[C@H](O)c2cccc(Br)c2)c1[N+](=O)[O-] ZINC000852171398 749793082 /nfs/dbraw/zinc/79/30/82/749793082.db2.gz FFTUUUISXRBNHD-LBPRGKRZSA-N 1 2 370.203 2.819 20 5 FFBDLO COc1c(O)ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)c1[N+](=O)[O-] ZINC000896792806 971710550 /nfs/dbraw/zinc/71/05/50/971710550.db2.gz PZGSZIOMUOTXMB-HOTGVXAUSA-N 1 2 355.394 2.772 20 5 FFBDLO COc1c(O)ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)c1[N+](=O)[O-] ZINC000896792806 971710555 /nfs/dbraw/zinc/71/05/55/971710555.db2.gz PZGSZIOMUOTXMB-HOTGVXAUSA-N 1 2 355.394 2.772 20 5 FFBDLO C[C@@H]([NH2+]Cc1cccc(N2CCOCC2)n1)c1c(F)cccc1[N+](=O)[O-] ZINC000872062924 1013137595 /nfs/dbraw/zinc/13/75/95/1013137595.db2.gz MACQVZYEIDYUJZ-CYBMUJFWSA-N 1 2 360.389 2.816 20 5 FFBDLO CC(=O)c1ccc(N2CC[NH+](CCc3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000894839724 965860817 /nfs/dbraw/zinc/86/08/17/965860817.db2.gz HMBRFJWSCQFVEU-UHFFFAOYSA-N 1 2 354.410 2.557 20 5 FFBDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1F ZINC000176932319 968307850 /nfs/dbraw/zinc/30/78/50/968307850.db2.gz WVWFUVGWOAILMD-UHFFFAOYSA-N 1 2 373.384 2.843 20 5 FFBDLO C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@H](O)c1ccccc1 ZINC001141761139 969109046 /nfs/dbraw/zinc/10/90/46/969109046.db2.gz BDPDJMWPGCULAZ-UGSOOPFHSA-N 1 2 366.377 2.632 20 5 FFBDLO Cc1c(NC(=O)CC[N@@H+]2CCO[C@H](c3ccco3)C2)cccc1[N+](=O)[O-] ZINC000121432648 974159799 /nfs/dbraw/zinc/15/97/99/974159799.db2.gz IXRUFYHQRQZOMS-KRWDZBQOSA-N 1 2 359.382 2.898 20 5 FFBDLO Cc1c(NC(=O)CC[N@H+]2CCO[C@H](c3ccco3)C2)cccc1[N+](=O)[O-] ZINC000121432648 974159807 /nfs/dbraw/zinc/15/98/07/974159807.db2.gz IXRUFYHQRQZOMS-KRWDZBQOSA-N 1 2 359.382 2.898 20 5 FFBDLO CCOC(=O)N[C@H]1CCC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000728896724 976829473 /nfs/dbraw/zinc/82/94/73/976829473.db2.gz KGZZIXJVMTUWKX-INIZCTEOSA-N 1 2 373.413 2.626 20 5 FFBDLO CCOC(=O)N[C@H]1CCC[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000728896724 976829483 /nfs/dbraw/zinc/82/94/83/976829483.db2.gz KGZZIXJVMTUWKX-INIZCTEOSA-N 1 2 373.413 2.626 20 5 FFBDLO CCOC(=O)N1CCC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000728900819 977001233 /nfs/dbraw/zinc/00/12/33/977001233.db2.gz RIZSWSUSSROTRJ-UHFFFAOYSA-N 1 2 373.413 2.580 20 5 FFBDLO CCOC(=O)N1CCC[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000728900819 977001241 /nfs/dbraw/zinc/00/12/41/977001241.db2.gz RIZSWSUSSROTRJ-UHFFFAOYSA-N 1 2 373.413 2.580 20 5 FFBDLO C/C(=C/C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C[NH+]1CCOCC1 ZINC000908970112 981579898 /nfs/dbraw/zinc/57/98/98/981579898.db2.gz ZJMJWETVGANZGH-ZUTYSQTGSA-N 1 2 373.453 2.579 20 5 FFBDLO COc1ncccc1-c1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000761693708 987727624 /nfs/dbraw/zinc/72/76/24/987727624.db2.gz KDRJJCQSLHOCRC-UHFFFAOYSA-N 1 2 364.321 2.901 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC(c2cn[nH]c2)CC1 ZINC000449896180 988808167 /nfs/dbraw/zinc/80/81/67/988808167.db2.gz PJXGBHFRWQVFSB-UHFFFAOYSA-N 1 2 366.381 2.523 20 5 FFBDLO C[N@H+](CC(F)F)C1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)CC1 ZINC000762991061 988947746 /nfs/dbraw/zinc/94/77/46/988947746.db2.gz UPWNUPMLEWIWCO-UHFFFAOYSA-N 1 2 366.368 2.878 20 5 FFBDLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)CC1 ZINC000762991061 988947750 /nfs/dbraw/zinc/94/77/50/988947750.db2.gz UPWNUPMLEWIWCO-UHFFFAOYSA-N 1 2 366.368 2.878 20 5 FFBDLO COc1ccc([C@@H]2C[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CCO2)cc1 ZINC000879634834 1015620938 /nfs/dbraw/zinc/62/09/38/1015620938.db2.gz XSPQQKKGSRBQMH-OALUTQOASA-N 1 2 358.394 2.710 20 5 FFBDLO COc1ccc([C@@H]2C[N@@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CCO2)cc1 ZINC000879634834 1015620942 /nfs/dbraw/zinc/62/09/42/1015620942.db2.gz XSPQQKKGSRBQMH-OALUTQOASA-N 1 2 358.394 2.710 20 5 FFBDLO COc1ccc(OC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000810717521 994883223 /nfs/dbraw/zinc/88/32/23/994883223.db2.gz XABZEWHVICHVQK-UHFFFAOYSA-N 1 2 367.361 2.996 20 5 FFBDLO O=C(NCc1ncc(Cl)s1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001133152645 995347101 /nfs/dbraw/zinc/34/71/01/995347101.db2.gz AVYJGXKZIGOUIW-UHFFFAOYSA-N 1 2 363.786 2.820 20 5 FFBDLO CC(C)c1ncncc1C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170690 995631876 /nfs/dbraw/zinc/63/18/76/995631876.db2.gz JYXMSOXNTQYUOF-INIZCTEOSA-N 1 2 370.409 2.940 20 5 FFBDLO CC(C)c1ncncc1C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170690 995631879 /nfs/dbraw/zinc/63/18/79/995631879.db2.gz JYXMSOXNTQYUOF-INIZCTEOSA-N 1 2 370.409 2.940 20 5 FFBDLO Cc1cc(C[N@@H+]2Cc3ccc(CNC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])cc3C2)cs1 ZINC001054264358 1015994821 /nfs/dbraw/zinc/99/48/21/1015994821.db2.gz BDTIBRKFBVOETH-QZTJIDSGSA-N 1 2 371.462 2.854 20 5 FFBDLO Cc1cc(C[N@H+]2Cc3ccc(CNC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])cc3C2)cs1 ZINC001054264358 1015994828 /nfs/dbraw/zinc/99/48/28/1015994828.db2.gz BDTIBRKFBVOETH-QZTJIDSGSA-N 1 2 371.462 2.854 20 5 FFBDLO Cc1nn(C[NH+]2CCC(Cc3nc([C@@H]4C[C@@H]4C)no3)CC2)c(C)c1[N+](=O)[O-] ZINC000844729994 998101259 /nfs/dbraw/zinc/10/12/59/998101259.db2.gz AMKJRBOQQHJHRN-XHDPSFHLSA-N 1 2 374.445 2.827 20 5 FFBDLO COc1cc(COC(=O)[C@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000741147576 999711584 /nfs/dbraw/zinc/71/15/84/999711584.db2.gz VNJPFFBPQFKEND-LLVKDONJSA-N 1 2 374.340 2.732 20 5 FFBDLO COc1cc(COC(=O)[C@H]2CCCC[N@H+]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000741147576 999711585 /nfs/dbraw/zinc/71/15/85/999711585.db2.gz VNJPFFBPQFKEND-LLVKDONJSA-N 1 2 374.340 2.732 20 5 FFBDLO COC(=O)c1cc(C)nc(NCc2ccc(-n3cc[nH+]c3)cc2)c1[N+](=O)[O-] ZINC000786804646 1001630009 /nfs/dbraw/zinc/63/00/09/1001630009.db2.gz JZGVCDGAEFRINN-UHFFFAOYSA-N 1 2 367.365 2.883 20 5 FFBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000791353470 1002676388 /nfs/dbraw/zinc/67/63/88/1002676388.db2.gz ZRJFMNJKNDYUKF-UHFFFAOYSA-N 1 2 369.381 2.727 20 5 FFBDLO Cn1c[nH+]c(CCNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)c1 ZINC001186662728 1003386019 /nfs/dbraw/zinc/38/60/19/1003386019.db2.gz ZXLUEIQGELCJLK-UHFFFAOYSA-N 1 2 353.382 2.957 20 5 FFBDLO COC(=O)c1ccccc1CC1CC[NH+](Cn2cc([N+](=O)[O-])c(C)n2)CC1 ZINC000793606018 1003440183 /nfs/dbraw/zinc/44/01/83/1003440183.db2.gz GBJJOKFUJAJOME-UHFFFAOYSA-N 1 2 372.425 2.799 20 5 FFBDLO O=C(NC[C@H]1COc2ccccc21)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001129563759 1003706931 /nfs/dbraw/zinc/70/69/31/1003706931.db2.gz SIOPYBBFNRXBFN-AWEZNQCLSA-N 1 2 364.361 2.687 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000776278607 1005344858 /nfs/dbraw/zinc/34/48/58/1005344858.db2.gz UODUICNNWRQDQU-ZWKOTPCHSA-N 1 2 370.384 2.880 20 5 FFBDLO O=C(NCc1cccc2c1OCC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001134257773 1006253870 /nfs/dbraw/zinc/25/38/70/1006253870.db2.gz WBEOOFZXSCGRHI-UHFFFAOYSA-N 1 2 364.361 2.645 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000775168903 1006596853 /nfs/dbraw/zinc/59/68/53/1006596853.db2.gz UGLIQABGPRPAQI-MSOLQXFVSA-N 1 2 370.384 2.880 20 5 FFBDLO CC1(c2nnc(-c3cccnc3)o2)C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000854079827 1006664741 /nfs/dbraw/zinc/66/47/41/1006664741.db2.gz OSRLQYUQFVGJMD-UHFFFAOYSA-N 1 2 351.366 2.813 20 5 FFBDLO C[NH+](C)C1(C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000854319405 1006777772 /nfs/dbraw/zinc/77/77/72/1006777772.db2.gz LKKFFWNIHCXINN-UHFFFAOYSA-N 1 2 369.377 2.847 20 5 FFBDLO O=Cc1ccc([N+](=O)[O-])c(OCc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000817580949 1007657054 /nfs/dbraw/zinc/65/70/54/1007657054.db2.gz LXUSHEMLJUGCNJ-UHFFFAOYSA-N 1 2 356.378 2.819 20 5 FFBDLO O=C(N[C@H](C1CC1)[C@H]1CCCOC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000885485456 1007726861 /nfs/dbraw/zinc/72/68/61/1007726861.db2.gz GACRNIQXJQOGMW-MAUKXSAKSA-N 1 2 370.409 2.716 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C(c1ccnn1C)c1ccnn1C ZINC000858583321 1008386204 /nfs/dbraw/zinc/38/62/04/1008386204.db2.gz IXFQCHYHSGOEHZ-ZDUSSCGKSA-N 1 2 354.414 2.810 20 5 FFBDLO CN(CCO)c1ccc(NCc2cc([N+](=O)[O-])ccc2OC(F)F)[nH+]c1 ZINC001178060732 1008844225 /nfs/dbraw/zinc/84/42/25/1008844225.db2.gz XZMXPUHJTNVNTA-UHFFFAOYSA-N 1 2 368.340 2.632 20 5 FFBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000126125056 1009215783 /nfs/dbraw/zinc/21/57/83/1009215783.db2.gz YUHFRIYICRMSAB-UHFFFAOYSA-N 1 2 355.394 2.988 20 5 FFBDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cc([N+](=O)[O-])ccc2F)cc1 ZINC000862753042 1009955753 /nfs/dbraw/zinc/95/57/53/1009955753.db2.gz ATCBSWJXAYCZKA-OAHLLOKOSA-N 1 2 373.384 2.747 20 5 FFBDLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cc([N+](=O)[O-])ccc2F)cc1 ZINC000862753042 1009955766 /nfs/dbraw/zinc/95/57/66/1009955766.db2.gz ATCBSWJXAYCZKA-OAHLLOKOSA-N 1 2 373.384 2.747 20 5 FFBDLO Cc1cc(NC(=O)[C@]2([NH+](C)C)COc3ccccc3C2)cc([N+](=O)[O-])c1 ZINC001181032740 1009957468 /nfs/dbraw/zinc/95/74/68/1009957468.db2.gz ROVFRGLIIYYQRS-LJQANCHMSA-N 1 2 355.394 2.777 20 5 FFBDLO O=C(Cc1cccc(F)c1[N+](=O)[O-])Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000864564815 1010507230 /nfs/dbraw/zinc/50/72/30/1010507230.db2.gz AEZOFUGLAWFJJN-UHFFFAOYSA-N 1 2 373.384 2.747 20 5 FFBDLO O=C1N(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000777556519 1017693998 /nfs/dbraw/zinc/69/39/98/1017693998.db2.gz UZYBTOHTJQTXLJ-MRXNPFEDSA-N 1 2 374.441 2.685 20 5 FFBDLO O=C1N(C[N@H+]2CCC[C@@H](OCC3CC3)C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000777556519 1017694003 /nfs/dbraw/zinc/69/40/03/1017694003.db2.gz UZYBTOHTJQTXLJ-MRXNPFEDSA-N 1 2 374.441 2.685 20 5 FFBDLO COc1cccc(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000927076970 1018351333 /nfs/dbraw/zinc/35/13/33/1018351333.db2.gz FOHPQZREXGRMGY-UHFFFAOYSA-N 1 2 356.382 2.715 20 5 FFBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cnc(-c3ccccc3)o2)CC1 ZINC000930681222 1020133372 /nfs/dbraw/zinc/13/33/72/1020133372.db2.gz UGKFORRKPMUYOG-UHFFFAOYSA-N 1 2 365.393 2.967 20 5 FFBDLO Cc1nn(C[N@@H+]2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000800855405 1020602686 /nfs/dbraw/zinc/60/26/86/1020602686.db2.gz CURYIQUAHMPEQB-KRWDZBQOSA-N 1 2 367.450 2.602 20 5 FFBDLO Cc1nn(C[N@H+]2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000800855405 1020602695 /nfs/dbraw/zinc/60/26/95/1020602695.db2.gz CURYIQUAHMPEQB-KRWDZBQOSA-N 1 2 367.450 2.602 20 5 FFBDLO COc1ccc2c(c1)C(=O)N(C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)C2 ZINC000800866166 1020610322 /nfs/dbraw/zinc/61/03/22/1020610322.db2.gz VAZMBOBSFKZHNS-UHFFFAOYSA-N 1 2 355.394 2.691 20 5 FFBDLO COc1ccc2c(c1)C(=O)N(C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)C2 ZINC000800866166 1020610326 /nfs/dbraw/zinc/61/03/26/1020610326.db2.gz VAZMBOBSFKZHNS-UHFFFAOYSA-N 1 2 355.394 2.691 20 5 FFBDLO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCN(c3cccc(F)c3F)CC2)c1 ZINC000749687203 1021020702 /nfs/dbraw/zinc/02/07/02/1021020702.db2.gz GEXHNRATVMBUAS-KRWDZBQOSA-N 1 2 363.364 2.729 20 5 FFBDLO CCc1oc(C(=O)OC)cc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000750032847 1021249391 /nfs/dbraw/zinc/24/93/91/1021249391.db2.gz IDGWDHYLGLCXFJ-UHFFFAOYSA-N 1 2 373.409 2.859 20 5 FFBDLO CC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1C[NH2+]CC1(F)F ZINC001218235645 1033064220 /nfs/dbraw/zinc/06/42/20/1033064220.db2.gz MVKOQKPGEWVFGE-SNVBAGLBSA-N 1 2 365.130 2.546 20 5 FFBDLO O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1O[C@@H]1C[NH2+]CC1(F)F ZINC001218241079 1033065089 /nfs/dbraw/zinc/06/50/89/1033065089.db2.gz WCGJUFKBCKIVOH-MRVPVSSYSA-N 1 2 357.191 2.508 20 5 FFBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)cc1 ZINC000755274190 1023586815 /nfs/dbraw/zinc/58/68/15/1023586815.db2.gz WFLPXEJSRALVDL-PMACEKPBSA-N 1 2 356.422 2.962 20 5 FFBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCO[C@@H](CCc3ccccc3)C2)cc1 ZINC000755274190 1023586818 /nfs/dbraw/zinc/58/68/18/1023586818.db2.gz WFLPXEJSRALVDL-PMACEKPBSA-N 1 2 356.422 2.962 20 5 FFBDLO CC[C@@H]1C[N@H+](Cn2cc([N+](=O)[O-])c(C)n2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000779867963 1025180560 /nfs/dbraw/zinc/18/05/60/1025180560.db2.gz QFEOFKIGKMQURO-ZIAGYGMSSA-N 1 2 367.450 2.682 20 5 FFBDLO CC[C@@H]1C[N@@H+](Cn2cc([N+](=O)[O-])c(C)n2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000779867963 1025180563 /nfs/dbraw/zinc/18/05/63/1025180563.db2.gz QFEOFKIGKMQURO-ZIAGYGMSSA-N 1 2 367.450 2.682 20 5 FFBDLO CC(C)[C@@]1(C)NC(=O)N(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000840124273 1026968418 /nfs/dbraw/zinc/96/84/18/1026968418.db2.gz ISDFMPPQRFVALL-DNVCBOLYSA-N 1 2 374.441 2.698 20 5 FFBDLO CC(C)[C@@]1(C)NC(=O)N(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000840124273 1026968424 /nfs/dbraw/zinc/96/84/24/1026968424.db2.gz ISDFMPPQRFVALL-DNVCBOLYSA-N 1 2 374.441 2.698 20 5 FFBDLO O=C1c2ncccc2CN1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000840124555 1026968765 /nfs/dbraw/zinc/96/87/65/1026968765.db2.gz LRZPGNMWHFTQJQ-OAHLLOKOSA-N 1 2 352.394 2.783 20 5 FFBDLO O=C1c2ncccc2CN1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000840124555 1026968771 /nfs/dbraw/zinc/96/87/71/1026968771.db2.gz LRZPGNMWHFTQJQ-OAHLLOKOSA-N 1 2 352.394 2.783 20 5 FFBDLO COC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H](C)c1c[nH+]c2c(C)cccn12 ZINC001160684259 1027802931 /nfs/dbraw/zinc/80/29/31/1027802931.db2.gz ZLEHLMHXKUXNJE-NSHDSACASA-N 1 2 355.354 2.906 20 5 FFBDLO CCOC(=O)C[NH+]1CCC(Nc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC001161086037 1028003159 /nfs/dbraw/zinc/00/31/59/1028003159.db2.gz QLLPFFOESXTQKM-UHFFFAOYSA-N 1 2 358.398 2.582 20 5 FFBDLO O=[N+]([O-])c1cnc(N2CC[NH+](C/C=C/c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001163845685 1029087415 /nfs/dbraw/zinc/08/74/15/1029087415.db2.gz MLEVXFZZRWAVRK-QPJJXVBHSA-N 1 2 369.381 2.733 20 5 FFBDLO O=C(OCCC[NH+]1CCOCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000781259171 1029107376 /nfs/dbraw/zinc/10/73/76/1029107376.db2.gz KGJIWJMCFYVTQL-UHFFFAOYSA-N 1 2 366.417 2.560 20 5 FFBDLO COc1cccc(C[NH+]2CCN(c3ncc([N+](=O)[O-])cc3Cl)CC2)c1 ZINC001163952704 1029124647 /nfs/dbraw/zinc/12/46/47/1029124647.db2.gz KMMWOVCYJHSLDB-UHFFFAOYSA-N 1 2 362.817 2.974 20 5 FFBDLO C/C(=C\C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000783699642 1030240635 /nfs/dbraw/zinc/24/06/35/1030240635.db2.gz FEGHBPGILXAAKO-CCEZHUSRSA-N 1 2 352.394 2.742 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC001203717125 1030842642 /nfs/dbraw/zinc/84/26/42/1030842642.db2.gz VYBCMVICYXRUSP-MRXNPFEDSA-N 1 2 356.382 2.912 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC001203717125 1030842664 /nfs/dbraw/zinc/84/26/64/1030842664.db2.gz VYBCMVICYXRUSP-MRXNPFEDSA-N 1 2 356.382 2.912 20 5 FFBDLO Cc1nn(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000797416982 1031101721 /nfs/dbraw/zinc/10/17/21/1031101721.db2.gz LRRUGANIOMQGFT-NJSLBKSFSA-N 1 2 374.441 2.869 20 5 FFBDLO Cc1nn(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000797416982 1031101737 /nfs/dbraw/zinc/10/17/37/1031101737.db2.gz LRRUGANIOMQGFT-NJSLBKSFSA-N 1 2 374.441 2.869 20 5 FFBDLO Cc1nn(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000797418306 1031105204 /nfs/dbraw/zinc/10/52/04/1031105204.db2.gz ROJRGAZPRYURHM-NJSLBKSFSA-N 1 2 374.441 2.869 20 5 FFBDLO Cc1nn(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000797418306 1031105209 /nfs/dbraw/zinc/10/52/09/1031105209.db2.gz ROJRGAZPRYURHM-NJSLBKSFSA-N 1 2 374.441 2.869 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)cnc1OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001226130651 1034538209 /nfs/dbraw/zinc/53/82/09/1034538209.db2.gz SIQNPYVJYFJPAS-HNNXBMFYSA-N 1 2 363.801 2.923 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)cnc1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001226130651 1034538213 /nfs/dbraw/zinc/53/82/13/1034538213.db2.gz SIQNPYVJYFJPAS-HNNXBMFYSA-N 1 2 363.801 2.923 20 5 FFBDLO C[N@@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])ccc2I)C1 ZINC001229834863 1036925289 /nfs/dbraw/zinc/92/52/89/1036925289.db2.gz FBJFCQLTUORJRU-JTQLQIEISA-N 1 2 362.167 2.672 20 5 FFBDLO C[N@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])ccc2I)C1 ZINC001229834863 1036925304 /nfs/dbraw/zinc/92/53/04/1036925304.db2.gz FBJFCQLTUORJRU-JTQLQIEISA-N 1 2 362.167 2.672 20 5 FFBDLO CC[N@@H+]1CC[C@H](Oc2c(I)cccc2[N+](=O)[O-])C1 ZINC001229879353 1036955392 /nfs/dbraw/zinc/95/53/92/1036955392.db2.gz AQGXWSAVRZLDGD-VIFPVBQESA-N 1 2 362.167 2.672 20 5 FFBDLO CC[N@H+]1CC[C@H](Oc2c(I)cccc2[N+](=O)[O-])C1 ZINC001229879353 1036955407 /nfs/dbraw/zinc/95/54/07/1036955407.db2.gz AQGXWSAVRZLDGD-VIFPVBQESA-N 1 2 362.167 2.672 20 5 FFBDLO COc1c(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)cccc1[N+](=O)[O-] ZINC001536709815 1070043869 /nfs/dbraw/zinc/04/38/69/1070043869.db2.gz RRSVRPCHDWEKAZ-MRXNPFEDSA-N 1 2 366.377 2.971 20 5 FFBDLO COc1ccc(-c2[nH]c3ccc(N4CCOCC4)cc3[nH+]2)cc1[N+](=O)[O-] ZINC001250915232 1038807518 /nfs/dbraw/zinc/80/75/18/1038807518.db2.gz VFKASYRIESRPBK-UHFFFAOYSA-N 1 2 354.366 2.983 20 5 FFBDLO O=[N+]([O-])c1cc(Nc2ccc(N3CC[NH+](C4COC4)CC3)cc2)ccc1F ZINC001211197005 1039989487 /nfs/dbraw/zinc/98/94/87/1039989487.db2.gz LJEBIXXJLSNVSM-UHFFFAOYSA-N 1 2 372.400 2.998 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3C[C@@H](CO)CC(F)(F)C3)CC2)cc1 ZINC001254474401 1040739226 /nfs/dbraw/zinc/73/92/26/1040739226.db2.gz PIBNDUYWHGXVKW-ZDUSSCGKSA-N 1 2 355.385 2.513 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CCC([N@H+]3C[C@@H](CO)CC(F)(F)C3)CC2)cc1 ZINC001254474401 1040739241 /nfs/dbraw/zinc/73/92/41/1040739241.db2.gz PIBNDUYWHGXVKW-ZDUSSCGKSA-N 1 2 355.385 2.513 20 5 FFBDLO O=C(c1ccccc1)N1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254597880 1040827835 /nfs/dbraw/zinc/82/78/35/1040827835.db2.gz INQIJPWTULKZNC-LJQANCHMSA-N 1 2 351.406 2.520 20 5 FFBDLO Cc1cc(F)cc(C(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC001262637822 1041767938 /nfs/dbraw/zinc/76/79/38/1041767938.db2.gz GHHLLHRHHKSCIR-INIZCTEOSA-N 1 2 361.348 2.968 20 5 FFBDLO Cn1cc[nH+]c1CCC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001263806582 1042489314 /nfs/dbraw/zinc/48/93/14/1042489314.db2.gz NMFCEMVQOKVUPY-UHFFFAOYSA-N 1 2 356.304 2.596 20 5 FFBDLO Cn1c[nH+]cc1C1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC001264010640 1042580220 /nfs/dbraw/zinc/58/02/20/1042580220.db2.gz HRFHLDLUVFPXJR-UHFFFAOYSA-N 1 2 353.382 2.829 20 5 FFBDLO Cc1cc(F)cc(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC001319212596 1045068892 /nfs/dbraw/zinc/06/88/92/1045068892.db2.gz YQODVLLXWBKZEA-ZDUSSCGKSA-N 1 2 360.389 2.871 20 5 FFBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001323961912 1045793212 /nfs/dbraw/zinc/79/32/12/1045793212.db2.gz HVFBAMWKVZPIPO-CYBMUJFWSA-N 1 2 359.455 2.980 20 5 FFBDLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NCCNc1ccccc1[N+](=O)[O-] ZINC001540507396 1070913321 /nfs/dbraw/zinc/91/33/21/1070913321.db2.gz KXJABZYQJRZNPR-ZDUSSCGKSA-N 1 2 371.319 2.513 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001297208263 1050131927 /nfs/dbraw/zinc/13/19/27/1050131927.db2.gz FRYOZKGOYSAIKS-CYBMUJFWSA-N 1 2 362.817 2.930 20 5 FFBDLO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cc2cccn2cn1 ZINC001345006509 1052194723 /nfs/dbraw/zinc/19/47/23/1052194723.db2.gz JQJHVACRNMJZBW-KRWDZBQOSA-N 1 2 366.377 2.674 20 5 FFBDLO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cc2cccn2cn1 ZINC001345006509 1052194726 /nfs/dbraw/zinc/19/47/26/1052194726.db2.gz JQJHVACRNMJZBW-KRWDZBQOSA-N 1 2 366.377 2.674 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001348666635 1054849765 /nfs/dbraw/zinc/84/97/65/1054849765.db2.gz LZMTXHOOENTGKI-AEFFLSMTSA-N 1 2 370.409 2.954 20 5 FFBDLO O=C(c1cc(N2CCC(c3c[nH]c[nH+]3)CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC001337682863 1054941864 /nfs/dbraw/zinc/94/18/64/1054941864.db2.gz OLSDOUVUYUWHAO-UHFFFAOYSA-N 1 2 369.425 2.938 20 5 FFBDLO O=C(NCCOc1ccccc1F)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001352127369 1055206207 /nfs/dbraw/zinc/20/62/07/1055206207.db2.gz FHZCRUCOGRKEQL-UHFFFAOYSA-N 1 2 370.340 2.728 20 5 FFBDLO CCc1ccc(C[NH+]2CCN(C(=O)c3cc([N+](=O)[O-])cc(C)n3)CC2)s1 ZINC001544051895 1071587398 /nfs/dbraw/zinc/58/73/98/1071587398.db2.gz SITFIKWEJLWZHI-UHFFFAOYSA-N 1 2 374.466 2.880 20 5 FFBDLO O=C(NCc1ccc(F)cc1F)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001358399869 1056294209 /nfs/dbraw/zinc/29/42/09/1056294209.db2.gz MGWIVUBHKJONQQ-UHFFFAOYSA-N 1 2 358.304 2.989 20 5 FFBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001454533664 1059552884 /nfs/dbraw/zinc/55/28/84/1059552884.db2.gz GOMXCHIRAZNSIX-LLVKDONJSA-N 1 2 358.423 2.638 20 5 FFBDLO COC(=O)c1cc(C(=O)N2CCC[C@@H]2c2[nH]c(C)c(C)[nH+]2)cc([N+](=O)[O-])c1 ZINC001455758376 1059902249 /nfs/dbraw/zinc/90/22/49/1059902249.db2.gz BXTORGOZYLMHEE-OAHLLOKOSA-N 1 2 372.381 2.699 20 5 FFBDLO CC1(C)C[N@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)[C@H]1[C@@H]1CCCO1 ZINC000848491681 1060150374 /nfs/dbraw/zinc/15/03/74/1060150374.db2.gz XXCSXGGCJYSGEZ-SQNIBIBYSA-N 1 2 373.453 2.758 20 5 FFBDLO CC1(C)C[N@@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)[C@H]1[C@@H]1CCCO1 ZINC000848491681 1060150381 /nfs/dbraw/zinc/15/03/81/1060150381.db2.gz XXCSXGGCJYSGEZ-SQNIBIBYSA-N 1 2 373.453 2.758 20 5 FFBDLO Cc1cc(NCCNC(=O)Cc2cccc([N+](=O)[O-])c2)nc(C(C)C)[nH+]1 ZINC000600364748 1060315040 /nfs/dbraw/zinc/31/50/40/1060315040.db2.gz GGZVGRJUJKYLJE-UHFFFAOYSA-N 1 2 357.414 2.587 20 5 FFBDLO COc1cccc(CN2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)c1 ZINC001460646289 1061045942 /nfs/dbraw/zinc/04/59/42/1061045942.db2.gz QFAAEXAQZAIAGR-UHFFFAOYSA-N 1 2 371.437 2.800 20 5 FFBDLO C[NH+](C)Cc1nc(CNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)co1 ZINC001476108701 1061349581 /nfs/dbraw/zinc/34/95/81/1061349581.db2.gz XLQNLAOWSVXMLL-UHFFFAOYSA-N 1 2 353.766 2.620 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCS[C@@H]1C(F)(F)F ZINC001528687370 1062006452 /nfs/dbraw/zinc/00/64/52/1062006452.db2.gz ZMTVVEYKRYREKD-CYBMUJFWSA-N 1 2 372.328 2.858 20 5 FFBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001464356836 1062568175 /nfs/dbraw/zinc/56/81/75/1062568175.db2.gz GWASNIYAQQJVHP-HNNXBMFYSA-N 1 2 372.406 2.511 20 5 FFBDLO CCOc1cc(NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC001466990301 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FCGBITJXCUIUTL-SFHVURJKSA-N 1 2 366.389 2.731 20 5 FFBDLO CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Br ZINC001473688388 1065320040 /nfs/dbraw/zinc/32/00/40/1065320040.db2.gz XWGXMTGEPIHYSN-AWEZNQCLSA-N 1 2 370.247 2.848 20 5 FFBDLO CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Br ZINC001473688388 1065320046 /nfs/dbraw/zinc/32/00/46/1065320046.db2.gz XWGXMTGEPIHYSN-AWEZNQCLSA-N 1 2 370.247 2.848 20 5 FFBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3ccnn3CC3CCC3)CC2)c1 ZINC001474378531 1065507507 /nfs/dbraw/zinc/50/75/07/1065507507.db2.gz YRZMRLDKSDIRMH-UHFFFAOYSA-N 1 2 355.442 2.914 20 5 FFBDLO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC001559259729 1076140946 /nfs/dbraw/zinc/14/09/46/1076140946.db2.gz JIAJQYIKRVBOEL-KRWDZBQOSA-N 1 2 373.457 2.741 20 5 FFBDLO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC001559259729 1076140948 /nfs/dbraw/zinc/14/09/48/1076140948.db2.gz JIAJQYIKRVBOEL-KRWDZBQOSA-N 1 2 373.457 2.741 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCn2c(nnc2-c2ccccc2)C1 ZINC000366625164 512113068 /nfs/dbraw/zinc/11/30/68/512113068.db2.gz CEDYWKIJFIOWSU-UHFFFAOYSA-N 1 2 365.393 2.878 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCn2c(nnc2-c2ccccc2)C1 ZINC000366625164 512113072 /nfs/dbraw/zinc/11/30/72/512113072.db2.gz CEDYWKIJFIOWSU-UHFFFAOYSA-N 1 2 365.393 2.878 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1c1cccn1C ZINC000007039288 249307405 /nfs/dbraw/zinc/30/74/05/249307405.db2.gz SICDEMYECOUWDY-INIZCTEOSA-N 1 2 358.398 2.718 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1c1cccn1C ZINC000007039288 249307408 /nfs/dbraw/zinc/30/74/08/249307408.db2.gz SICDEMYECOUWDY-INIZCTEOSA-N 1 2 358.398 2.718 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000093908966 250050134 /nfs/dbraw/zinc/05/01/34/250050134.db2.gz ORVUOTSLUWVRSS-UHFFFAOYSA-N 1 2 368.437 2.873 20 5 FFBDLO COc1cccc(C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)c1[N+](=O)[O-] ZINC000192563768 251289128 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DWLYLAJRHCMFRK-BETUJISGSA-N 1 2 361.398 2.522 20 5 FFBDLO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000286193257 257025142 /nfs/dbraw/zinc/02/51/42/257025142.db2.gz ZZKJZVRCSAVTSV-LBPRGKRZSA-N 1 2 355.385 2.857 20 5 FFBDLO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000286193257 257025143 /nfs/dbraw/zinc/02/51/43/257025143.db2.gz ZZKJZVRCSAVTSV-LBPRGKRZSA-N 1 2 355.385 2.857 20 5 FFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000287209873 257077484 /nfs/dbraw/zinc/07/74/84/257077484.db2.gz DXKZNCLQESGUSK-OAHLLOKOSA-N 1 2 373.413 2.634 20 5 FFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000287209873 257077485 /nfs/dbraw/zinc/07/74/85/257077485.db2.gz DXKZNCLQESGUSK-OAHLLOKOSA-N 1 2 373.413 2.634 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000289633593 257291195 /nfs/dbraw/zinc/29/11/95/257291195.db2.gz SBEOMBONIZALBB-KBRIMQKVSA-N 1 2 359.426 2.955 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000289633593 257291196 /nfs/dbraw/zinc/29/11/96/257291196.db2.gz SBEOMBONIZALBB-KBRIMQKVSA-N 1 2 359.426 2.955 20 5 FFBDLO CC1(C)OCC(CO)([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CO1 ZINC000291173561 257389447 /nfs/dbraw/zinc/38/94/47/257389447.db2.gz NMWUWXBIMFZSRH-UHFFFAOYSA-N 1 2 365.213 2.505 20 5 FFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c1 ZINC000291255314 257394185 /nfs/dbraw/zinc/39/41/85/257394185.db2.gz MKQAPNYZVFNMSZ-SNVBAGLBSA-N 1 2 352.284 2.646 20 5 FFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)c1 ZINC000291255314 257394186 /nfs/dbraw/zinc/39/41/86/257394186.db2.gz MKQAPNYZVFNMSZ-SNVBAGLBSA-N 1 2 352.284 2.646 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCCNc2ccc3ccccc3[nH+]2)cc1 ZINC000301071922 258022967 /nfs/dbraw/zinc/02/29/67/258022967.db2.gz FRWRTARTVZJIET-UHFFFAOYSA-N 1 2 372.406 2.533 20 5 FFBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(N2CCCC2)[nH+]c1 ZINC000301127567 258027311 /nfs/dbraw/zinc/02/73/11/258027311.db2.gz XDHWQXVRKPMQQX-UHFFFAOYSA-N 1 2 355.398 2.562 20 5 FFBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000301130064 258028221 /nfs/dbraw/zinc/02/82/21/258028221.db2.gz ZQMFDFUDQWTNBM-UHFFFAOYSA-N 1 2 365.393 2.811 20 5 FFBDLO CC(C)c1nc(C2CC[NH+](CC(=O)Nc3ccccc3[N+](=O)[O-])CC2)no1 ZINC000299680719 258016535 /nfs/dbraw/zinc/01/65/35/258016535.db2.gz QSLVPMVCDZSBPM-UHFFFAOYSA-N 1 2 373.413 2.919 20 5 FFBDLO Cc1cccc2[nH+]c(CNc3ccc([N+](=O)[O-])cc3S(C)(=O)=O)cn21 ZINC000302643547 258107330 /nfs/dbraw/zinc/10/73/30/258107330.db2.gz LTJVAGQIHBXTBS-UHFFFAOYSA-N 1 2 360.395 2.567 20 5 FFBDLO O=C(NC1CC1)c1ccc(N2CC[C@H](Oc3cc[nH+]cc3)C2)c([N+](=O)[O-])c1 ZINC000301616617 258059235 /nfs/dbraw/zinc/05/92/35/258059235.db2.gz AHIZOTLSMOWJPE-INIZCTEOSA-N 1 2 368.393 2.540 20 5 FFBDLO C[C@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[NH+]1CCSCC1 ZINC000330626253 258166799 /nfs/dbraw/zinc/16/67/99/258166799.db2.gz IRCNSEJSXDLNIN-SECBINFHSA-N 1 2 374.260 2.733 20 5 FFBDLO Cc1cc(Br)cc2c1C[N@H+](CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000332104027 258213996 /nfs/dbraw/zinc/21/39/96/258213996.db2.gz AHBDMZLGLHWVCS-UHFFFAOYSA-N 1 2 365.231 2.921 20 5 FFBDLO Cc1cc(Br)cc2c1C[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000332104027 258213997 /nfs/dbraw/zinc/21/39/97/258213997.db2.gz AHBDMZLGLHWVCS-UHFFFAOYSA-N 1 2 365.231 2.921 20 5 FFBDLO O=[N+]([O-])c1cc(C[NH+]2CCN(c3ncnc4sccc43)CC2)cs1 ZINC000077325632 132181200 /nfs/dbraw/zinc/18/12/00/132181200.db2.gz VMHHEAWFCMLYPS-UHFFFAOYSA-N 1 2 361.452 2.983 20 5 FFBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000097604389 222198295 /nfs/dbraw/zinc/19/82/95/222198295.db2.gz GWLIHDVMLXFTBI-UHFFFAOYSA-N 1 2 356.725 2.692 20 5 FFBDLO C[NH+](C)[C@@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccsc1 ZINC000032369004 506246824 /nfs/dbraw/zinc/24/68/24/506246824.db2.gz HQCWHGZQRCAHAW-AWEZNQCLSA-N 1 2 359.411 2.565 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCc2ccc(O)cc2C1 ZINC000052850692 506263953 /nfs/dbraw/zinc/26/39/53/506263953.db2.gz SIRLJFRVECCVTP-UHFFFAOYSA-N 1 2 364.361 2.685 20 5 FFBDLO Cc1noc(C2CC[NH+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC2)n1 ZINC000053639343 506420357 /nfs/dbraw/zinc/42/03/57/506420357.db2.gz GRGDCNSAXWZXNG-UHFFFAOYSA-N 1 2 370.369 2.716 20 5 FFBDLO CCn1c(Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)[nH+]c2cc(F)ccc21 ZINC000066256075 506461493 /nfs/dbraw/zinc/46/14/93/506461493.db2.gz XRRXDNCFUSBWBJ-UHFFFAOYSA-N 1 2 367.340 2.862 20 5 FFBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000007980024 506609115 /nfs/dbraw/zinc/60/91/15/506609115.db2.gz AJOUTBNNWCLPAX-UHFFFAOYSA-N 1 2 355.423 2.922 20 5 FFBDLO O=[N+]([O-])c1c(N[C@H](C[NH+]2CCOCC2)c2ccccc2)nc2sccn21 ZINC000008376117 506648160 /nfs/dbraw/zinc/64/81/60/506648160.db2.gz BYZFPJDZSUQSDI-CQSZACIVSA-N 1 2 373.438 2.789 20 5 FFBDLO COc1ccc(C(=O)Nc2ccccc2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000055816147 506858954 /nfs/dbraw/zinc/85/89/54/506858954.db2.gz XNDIBFVYYLQYSD-UHFFFAOYSA-N 1 2 371.393 2.688 20 5 FFBDLO C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599796 507156983 /nfs/dbraw/zinc/15/69/83/507156983.db2.gz XHHKEUGSCLDPJI-LBPRGKRZSA-N 1 2 374.372 2.903 20 5 FFBDLO C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599796 507156988 /nfs/dbraw/zinc/15/69/88/507156988.db2.gz XHHKEUGSCLDPJI-LBPRGKRZSA-N 1 2 374.372 2.903 20 5 FFBDLO C[N@H+](CC(=O)N[C@@H]1CCOc2ccccc21)Cc1ccccc1[N+](=O)[O-] ZINC000046599262 507157245 /nfs/dbraw/zinc/15/72/45/507157245.db2.gz XBCZIETXJFAKDG-MRXNPFEDSA-N 1 2 355.394 2.667 20 5 FFBDLO C[N@@H+](CC(=O)N[C@@H]1CCOc2ccccc21)Cc1ccccc1[N+](=O)[O-] ZINC000046599262 507157249 /nfs/dbraw/zinc/15/72/49/507157249.db2.gz XBCZIETXJFAKDG-MRXNPFEDSA-N 1 2 355.394 2.667 20 5 FFBDLO Cc1cc(NCC(=O)NCc2ccco2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000057825819 507336157 /nfs/dbraw/zinc/33/61/57/507336157.db2.gz YAIALAKUWPZKDN-UHFFFAOYSA-N 1 2 367.365 2.682 20 5 FFBDLO COc1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)cc1[N+](=O)[O-] ZINC000023773925 507374494 /nfs/dbraw/zinc/37/44/94/507374494.db2.gz YUCCUSSSRHPDJZ-QGZVFWFLSA-N 1 2 366.377 2.856 20 5 FFBDLO CCN(C(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CCCCC1 ZINC000047743166 507386899 /nfs/dbraw/zinc/38/68/99/507386899.db2.gz OLTHJSDLHNIYOP-UHFFFAOYSA-N 1 2 374.485 2.898 20 5 FFBDLO O=C(C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)NC1CCCCCC1 ZINC000047743104 507387464 /nfs/dbraw/zinc/38/74/64/507387464.db2.gz SQUAGAFDZAGONC-UHFFFAOYSA-N 1 2 360.458 2.556 20 5 FFBDLO C[C@@H]1CN(c2ccc(CNC(=O)c3cccc([N+](=O)[O-])c3)c[nH+]2)C[C@H](C)O1 ZINC000060442535 507544980 /nfs/dbraw/zinc/54/49/80/507544980.db2.gz OCJRDYPBUCTJRI-OKILXGFUSA-N 1 2 370.409 2.533 20 5 FFBDLO CNc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000027049095 507629224 /nfs/dbraw/zinc/62/92/24/507629224.db2.gz KFYCVHRZLQYJMU-UHFFFAOYSA-N 1 2 354.410 2.595 20 5 FFBDLO O=C(C[N@@H+]1CCC[C@@H](C(F)(F)F)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000027350551 507649045 /nfs/dbraw/zinc/64/90/45/507649045.db2.gz IBWOCUBGVGOKBG-GFCCVEGCSA-N 1 2 357.332 2.758 20 5 FFBDLO O=C(C[N@H+]1CCC[C@@H](C(F)(F)F)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000027350551 507649049 /nfs/dbraw/zinc/64/90/49/507649049.db2.gz IBWOCUBGVGOKBG-GFCCVEGCSA-N 1 2 357.332 2.758 20 5 FFBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050580799 507695077 /nfs/dbraw/zinc/69/50/77/507695077.db2.gz TWNAKMHIUCJCSD-NSHDSACASA-N 1 2 357.395 2.733 20 5 FFBDLO Cc1[nH+]c2ccccc2n1CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000029186142 507768082 /nfs/dbraw/zinc/76/80/82/507768082.db2.gz YWIJYPHQLAFFAU-UHFFFAOYSA-N 1 2 364.365 2.602 20 5 FFBDLO C[N@H+](Cc1ccc(Br)o1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000030216890 507803960 /nfs/dbraw/zinc/80/39/60/507803960.db2.gz NHURUEVVZNUAIA-UHFFFAOYSA-N 1 2 368.187 2.681 20 5 FFBDLO C[N@@H+](Cc1ccc(Br)o1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000030216890 507803962 /nfs/dbraw/zinc/80/39/62/507803962.db2.gz NHURUEVVZNUAIA-UHFFFAOYSA-N 1 2 368.187 2.681 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccn(-c4ccccc4)n3)C2)nc1 ZINC000072665276 507840507 /nfs/dbraw/zinc/84/05/07/507840507.db2.gz RLTHUHBZCXUWNA-HNNXBMFYSA-N 1 2 364.409 2.862 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccn(-c4ccccc4)n3)C2)nc1 ZINC000072665276 507840509 /nfs/dbraw/zinc/84/05/09/507840509.db2.gz RLTHUHBZCXUWNA-HNNXBMFYSA-N 1 2 364.409 2.862 20 5 FFBDLO CCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000072724143 507848035 /nfs/dbraw/zinc/84/80/35/507848035.db2.gz QWCVZCFNTUMUKU-NSHDSACASA-N 1 2 355.822 2.812 20 5 FFBDLO CCOC[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000072976722 507878942 /nfs/dbraw/zinc/87/89/42/507878942.db2.gz UGOCVTROKHZUJL-LBPRGKRZSA-N 1 2 355.822 2.935 20 5 FFBDLO CCOC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000072976722 507878945 /nfs/dbraw/zinc/87/89/45/507878945.db2.gz UGOCVTROKHZUJL-LBPRGKRZSA-N 1 2 355.822 2.935 20 5 FFBDLO O=c1[nH]cnc2cc(NCCCCNc3cccc[nH+]3)c([N+](=O)[O-])cc21 ZINC000078616081 507889488 /nfs/dbraw/zinc/88/94/88/507889488.db2.gz NCQDAPWRMAITCY-UHFFFAOYSA-N 1 2 354.370 2.531 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2ncccc2F)CC1 ZINC000090633012 507931976 /nfs/dbraw/zinc/93/19/76/507931976.db2.gz PZQQTQQDKOIGGB-UHFFFAOYSA-N 1 2 360.389 2.850 20 5 FFBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000109825682 507990919 /nfs/dbraw/zinc/99/09/19/507990919.db2.gz GRXQXELQBDVDFJ-UHFFFAOYSA-N 1 2 355.320 2.659 20 5 FFBDLO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)n1 ZINC000091685266 508001684 /nfs/dbraw/zinc/00/16/84/508001684.db2.gz UFXRMNOCOSKBON-AWEZNQCLSA-N 1 2 370.409 2.855 20 5 FFBDLO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)n1 ZINC000091685266 508001687 /nfs/dbraw/zinc/00/16/87/508001687.db2.gz UFXRMNOCOSKBON-AWEZNQCLSA-N 1 2 370.409 2.855 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@]2(CCCOC2)C1 ZINC000079986646 508023535 /nfs/dbraw/zinc/02/35/35/508023535.db2.gz WLZPUIIIVHSCSS-IBGZPJMESA-N 1 2 370.409 2.813 20 5 FFBDLO CCC(=O)N1CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000092186933 508048509 /nfs/dbraw/zinc/04/85/09/508048509.db2.gz MYRSIXMCOWGUFQ-UHFFFAOYSA-N 1 2 370.247 2.802 20 5 FFBDLO CCC(=O)N1CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000092186933 508048510 /nfs/dbraw/zinc/04/85/10/508048510.db2.gz MYRSIXMCOWGUFQ-UHFFFAOYSA-N 1 2 370.247 2.802 20 5 FFBDLO Cc1cccn2cc(CNC(=O)CCOc3ccccc3[N+](=O)[O-])[nH+]c12 ZINC000110798478 508049098 /nfs/dbraw/zinc/04/90/98/508049098.db2.gz WSDMPRBKCUTTHE-UHFFFAOYSA-N 1 2 354.366 2.636 20 5 FFBDLO Cc1cc(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000080597443 508086961 /nfs/dbraw/zinc/08/69/61/508086961.db2.gz VUKNUOZCBFIMME-UHFFFAOYSA-N 1 2 369.425 2.813 20 5 FFBDLO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000093278985 508133830 /nfs/dbraw/zinc/13/38/30/508133830.db2.gz GWZVHQQBAJIZIX-CQSZACIVSA-N 1 2 369.368 2.783 20 5 FFBDLO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000093278985 508133834 /nfs/dbraw/zinc/13/38/34/508133834.db2.gz GWZVHQQBAJIZIX-CQSZACIVSA-N 1 2 369.368 2.783 20 5 FFBDLO COc1ccccc1C[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000076227651 508173476 /nfs/dbraw/zinc/17/34/76/508173476.db2.gz OQTDWHHWDNGUQQ-UHFFFAOYSA-N 1 2 369.421 2.870 20 5 FFBDLO O=C(NCc1[nH+]ccn1CCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000081929529 508218456 /nfs/dbraw/zinc/21/84/56/508218456.db2.gz DPWHHDHFQUTXRA-UHFFFAOYSA-N 1 2 350.378 2.964 20 5 FFBDLO Cc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607479 508378757 /nfs/dbraw/zinc/37/87/57/508378757.db2.gz HHOGTRSTRGZMKH-HNNXBMFYSA-N 1 2 353.422 2.966 20 5 FFBDLO Cc1ccccc1CNC(=O)[C@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607479 508378759 /nfs/dbraw/zinc/37/87/59/508378759.db2.gz HHOGTRSTRGZMKH-HNNXBMFYSA-N 1 2 353.422 2.966 20 5 FFBDLO CC(=O)c1cccc(OC[C@@H](O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000088616499 508379634 /nfs/dbraw/zinc/37/96/34/508379634.db2.gz HFUCCJQKPARWBE-IBGZPJMESA-N 1 2 370.405 2.595 20 5 FFBDLO CC(=O)c1cccc(OC[C@@H](O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000088616499 508379635 /nfs/dbraw/zinc/37/96/35/508379635.db2.gz HFUCCJQKPARWBE-IBGZPJMESA-N 1 2 370.405 2.595 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1C ZINC000088777613 508383644 /nfs/dbraw/zinc/38/36/44/508383644.db2.gz LCXCPDRZYZNBPY-CYBMUJFWSA-N 1 2 364.427 2.503 20 5 FFBDLO O=C(NCc1cccnc1-n1cc[nH+]c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000121886436 508440451 /nfs/dbraw/zinc/44/04/51/508440451.db2.gz LDBLAMLQVDSQLK-UHFFFAOYSA-N 1 2 374.360 2.654 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000127586892 508473146 /nfs/dbraw/zinc/47/31/46/508473146.db2.gz KSDAYDPZDWFSGH-UHFFFAOYSA-N 1 2 369.425 2.956 20 5 FFBDLO COc1ccc(C[NH+]2CCN(c3nc(C)c(C)s3)CC2)cc1[N+](=O)[O-] ZINC000157438593 508566420 /nfs/dbraw/zinc/56/64/20/508566420.db2.gz ONGFQZRRSGGHQN-UHFFFAOYSA-N 1 2 362.455 2.999 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3nc(C4CCCC4)no3)C2)nc1 ZINC000157466430 508569658 /nfs/dbraw/zinc/56/96/58/508569658.db2.gz VJVLXFCOPMXJJB-ZDUSSCGKSA-N 1 2 358.402 2.717 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3nc(C4CCCC4)no3)C2)nc1 ZINC000157466430 508569660 /nfs/dbraw/zinc/56/96/60/508569660.db2.gz VJVLXFCOPMXJJB-ZDUSSCGKSA-N 1 2 358.402 2.717 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+](C)CCc2nccs2)c([N+](=O)[O-])c1 ZINC000157539248 508579214 /nfs/dbraw/zinc/57/92/14/508579214.db2.gz VFEYMJDYVZLVAQ-UHFFFAOYSA-N 1 2 364.427 2.563 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+](C)CCc2nccs2)c([N+](=O)[O-])c1 ZINC000157539248 508579218 /nfs/dbraw/zinc/57/92/18/508579218.db2.gz VFEYMJDYVZLVAQ-UHFFFAOYSA-N 1 2 364.427 2.563 20 5 FFBDLO O=C(C[N@@H+]1CCC[C@H]1c1ccncc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000153879316 508668357 /nfs/dbraw/zinc/66/83/57/508668357.db2.gz HWXVVSHVSKOJPF-KRWDZBQOSA-N 1 2 352.394 2.716 20 5 FFBDLO O=C(C[N@H+]1CCC[C@H]1c1ccncc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000153879316 508668360 /nfs/dbraw/zinc/66/83/60/508668360.db2.gz HWXVVSHVSKOJPF-KRWDZBQOSA-N 1 2 352.394 2.716 20 5 FFBDLO COc1ccc(NC(=O)C[NH2+]C(C)(C)c2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000118848805 508684546 /nfs/dbraw/zinc/68/45/46/508684546.db2.gz LWCXRLGIRROHJB-UHFFFAOYSA-N 1 2 364.427 2.832 20 5 FFBDLO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1nc(-c2cccnc2)no1 ZINC000154341766 508764288 /nfs/dbraw/zinc/76/42/88/508764288.db2.gz CVNQIURVCRFIHH-UHFFFAOYSA-N 1 2 355.354 2.551 20 5 FFBDLO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1nc(-c2cccnc2)no1 ZINC000154341766 508764290 /nfs/dbraw/zinc/76/42/90/508764290.db2.gz CVNQIURVCRFIHH-UHFFFAOYSA-N 1 2 355.354 2.551 20 5 FFBDLO COc1cccc([C@H]2C[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CCO2)c1 ZINC000154468697 508791717 /nfs/dbraw/zinc/79/17/17/508791717.db2.gz SILHEFPEYASBNY-RBUKOAKNSA-N 1 2 358.394 2.710 20 5 FFBDLO COc1cccc([C@H]2C[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CCO2)c1 ZINC000154468697 508791719 /nfs/dbraw/zinc/79/17/19/508791719.db2.gz SILHEFPEYASBNY-RBUKOAKNSA-N 1 2 358.394 2.710 20 5 FFBDLO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000131072389 508883499 /nfs/dbraw/zinc/88/34/99/508883499.db2.gz PNEWTYWGXKEJIW-BSNNYGBQSA-N 1 2 353.469 2.917 20 5 FFBDLO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000131072389 508883501 /nfs/dbraw/zinc/88/35/01/508883501.db2.gz PNEWTYWGXKEJIW-BSNNYGBQSA-N 1 2 353.469 2.917 20 5 FFBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000155000802 508900994 /nfs/dbraw/zinc/90/09/94/508900994.db2.gz NCWAIWYYYPUNOY-AWEZNQCLSA-N 1 2 372.400 2.577 20 5 FFBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CCCn1cc[nH+]c1 ZINC000155050876 508912268 /nfs/dbraw/zinc/91/22/68/508912268.db2.gz UBQXFFNPGSFZGB-LBPRGKRZSA-N 1 2 366.805 2.761 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000120223797 508953199 /nfs/dbraw/zinc/95/31/99/508953199.db2.gz IIBFGPZQFXCHOP-HNNXBMFYSA-N 1 2 362.430 2.540 20 5 FFBDLO COc1ccc(C[NH+]2CCN(c3nc(C)ccc3[N+](=O)[O-])CC2)cc1F ZINC000120389240 508986233 /nfs/dbraw/zinc/98/62/33/508986233.db2.gz CLZMQONBHWXWAU-UHFFFAOYSA-N 1 2 360.389 2.768 20 5 FFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000132931141 509093791 /nfs/dbraw/zinc/09/37/91/509093791.db2.gz ITLJKJYADGACCA-UHFFFAOYSA-N 1 2 372.812 2.950 20 5 FFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000132931141 509093793 /nfs/dbraw/zinc/09/37/93/509093793.db2.gz ITLJKJYADGACCA-UHFFFAOYSA-N 1 2 372.812 2.950 20 5 FFBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000121437270 509174060 /nfs/dbraw/zinc/17/40/60/509174060.db2.gz GBJXOMYCVICTQO-LBPRGKRZSA-N 1 2 370.818 2.887 20 5 FFBDLO C[C@]1(c2ccccc2)C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000121442038 509174342 /nfs/dbraw/zinc/17/43/42/509174342.db2.gz BOHMKCDIHHPFNX-AZUAARDMSA-N 1 2 372.421 2.582 20 5 FFBDLO C[C@]1(c2ccccc2)C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000121442038 509174344 /nfs/dbraw/zinc/17/43/44/509174344.db2.gz BOHMKCDIHHPFNX-AZUAARDMSA-N 1 2 372.421 2.582 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121503685 509177002 /nfs/dbraw/zinc/17/70/02/509177002.db2.gz ZFVNLJQPUCDZGE-UHFFFAOYSA-N 1 2 361.442 2.826 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121503685 509177003 /nfs/dbraw/zinc/17/70/03/509177003.db2.gz ZFVNLJQPUCDZGE-UHFFFAOYSA-N 1 2 361.442 2.826 20 5 FFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000121542560 509178042 /nfs/dbraw/zinc/17/80/42/509178042.db2.gz LYNSNTPTNKMBMC-KRWDZBQOSA-N 1 2 373.365 2.559 20 5 FFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000121542560 509178043 /nfs/dbraw/zinc/17/80/43/509178043.db2.gz LYNSNTPTNKMBMC-KRWDZBQOSA-N 1 2 373.365 2.559 20 5 FFBDLO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000185448103 509181736 /nfs/dbraw/zinc/18/17/36/509181736.db2.gz DUATTYIBUDWTJR-CYBMUJFWSA-N 1 2 370.409 2.651 20 5 FFBDLO C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000195675058 509216446 /nfs/dbraw/zinc/21/64/46/509216446.db2.gz ZOQARHUYFBGGQA-ACJLOTCBSA-N 1 2 355.394 2.656 20 5 FFBDLO C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000195675058 509216450 /nfs/dbraw/zinc/21/64/50/509216450.db2.gz ZOQARHUYFBGGQA-ACJLOTCBSA-N 1 2 355.394 2.656 20 5 FFBDLO C[C@H](Nc1[nH+]cnc2c1cnn2-c1ncccn1)c1cccc([N+](=O)[O-])c1 ZINC000163340920 509364691 /nfs/dbraw/zinc/36/46/91/509364691.db2.gz TVZHOYDIGJUQSG-NSHDSACASA-N 1 2 362.353 2.687 20 5 FFBDLO COC(=O)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1C ZINC000248917478 509544433 /nfs/dbraw/zinc/54/44/33/509544433.db2.gz UUJHNJSXPVILJB-ZWNOBZJWSA-N 1 2 358.341 2.827 20 5 FFBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1C ZINC000248917478 509544439 /nfs/dbraw/zinc/54/44/39/509544439.db2.gz UUJHNJSXPVILJB-ZWNOBZJWSA-N 1 2 358.341 2.827 20 5 FFBDLO Nc1ccc([N+](=O)[O-])c(NC[C@H](c2cccc(F)c2)[NH+]2CCOCC2)c1 ZINC000192785652 509644115 /nfs/dbraw/zinc/64/41/15/509644115.db2.gz IMYGOFXSDPFQOY-GOSISDBHSA-N 1 2 360.389 2.802 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000183244970 509677091 /nfs/dbraw/zinc/67/70/91/509677091.db2.gz UBMWEGMGQAYUQL-UHFFFAOYSA-N 1 2 365.437 2.869 20 5 FFBDLO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2nnc3ccccn32)cccc1[N+](=O)[O-] ZINC000193323240 509867348 /nfs/dbraw/zinc/86/73/48/509867348.db2.gz CVTPEPPMDGQIJP-CHWSQXEVSA-N 1 2 368.397 2.624 20 5 FFBDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)c1cc2ccccc2c2cccnc12 ZINC000170953679 509869983 /nfs/dbraw/zinc/86/99/83/509869983.db2.gz RNFWTRNDNQZTGS-MRXNPFEDSA-N 1 2 362.477 2.754 20 5 FFBDLO CN(C)c1[nH+]cccc1CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180422245 509918982 /nfs/dbraw/zinc/91/89/82/509918982.db2.gz JBHWGRXRRPTIIO-UHFFFAOYSA-N 1 2 366.324 2.587 20 5 FFBDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCS1 ZINC000245466780 509954473 /nfs/dbraw/zinc/95/44/73/509954473.db2.gz ZGIJHQZTLMWHTB-DGCLKSJQSA-N 1 2 353.444 2.758 20 5 FFBDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCS1 ZINC000245466780 509954478 /nfs/dbraw/zinc/95/44/78/509954478.db2.gz ZGIJHQZTLMWHTB-DGCLKSJQSA-N 1 2 353.444 2.758 20 5 FFBDLO CC(C)(C)c1nc(CN2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)no1 ZINC000265443952 510057190 /nfs/dbraw/zinc/05/71/90/510057190.db2.gz QUZTVRSLJNPISH-UHFFFAOYSA-N 1 2 359.430 2.593 20 5 FFBDLO CCc1ccc([C@H]2C[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CCO2)cc1 ZINC000190315642 510059141 /nfs/dbraw/zinc/05/91/41/510059141.db2.gz KSZHCBXNTDDBTC-LJQANCHMSA-N 1 2 369.421 2.830 20 5 FFBDLO CCc1ccc([C@H]2C[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CCO2)cc1 ZINC000190315642 510059146 /nfs/dbraw/zinc/05/91/46/510059146.db2.gz KSZHCBXNTDDBTC-LJQANCHMSA-N 1 2 369.421 2.830 20 5 FFBDLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1O ZINC000174632240 510218217 /nfs/dbraw/zinc/21/82/17/510218217.db2.gz XTHOVFFVUYKAJT-UHFFFAOYSA-N 1 2 359.382 2.688 20 5 FFBDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1O ZINC000174632240 510218224 /nfs/dbraw/zinc/21/82/24/510218224.db2.gz XTHOVFFVUYKAJT-UHFFFAOYSA-N 1 2 359.382 2.688 20 5 FFBDLO CCc1nnc(C2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)[nH]1 ZINC000190686694 510285938 /nfs/dbraw/zinc/28/59/38/510285938.db2.gz IWARGHBMJIBGKI-UHFFFAOYSA-N 1 2 356.386 2.796 20 5 FFBDLO CCc1n[nH]c(C2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)n1 ZINC000190686694 510285943 /nfs/dbraw/zinc/28/59/43/510285943.db2.gz IWARGHBMJIBGKI-UHFFFAOYSA-N 1 2 356.386 2.796 20 5 FFBDLO CCc1nc(C2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)n[nH]1 ZINC000190686694 510285947 /nfs/dbraw/zinc/28/59/47/510285947.db2.gz IWARGHBMJIBGKI-UHFFFAOYSA-N 1 2 356.386 2.796 20 5 FFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000246157201 510327568 /nfs/dbraw/zinc/32/75/68/510327568.db2.gz UDXHQIONWNNQLZ-LDYMZIIASA-N 1 2 360.292 2.561 20 5 FFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000246157201 510327576 /nfs/dbraw/zinc/32/75/76/510327576.db2.gz UDXHQIONWNNQLZ-LDYMZIIASA-N 1 2 360.292 2.561 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2C[NH+]2CCOCC2)c1 ZINC000266017435 510360317 /nfs/dbraw/zinc/36/03/17/510360317.db2.gz JLZZYISBHISWFV-UHFFFAOYSA-N 1 2 355.394 2.988 20 5 FFBDLO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1O ZINC000184607368 510414075 /nfs/dbraw/zinc/41/40/75/510414075.db2.gz PNCRNNUMTHZSIR-AWEZNQCLSA-N 1 2 361.423 2.929 20 5 FFBDLO CCc1nc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000184712860 510478099 /nfs/dbraw/zinc/47/80/99/510478099.db2.gz OOBMDCMQXZBICB-LLVKDONJSA-N 1 2 369.468 2.738 20 5 FFBDLO CC(C)Cn1cc[nH+]c1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000181714204 510554286 /nfs/dbraw/zinc/55/42/86/510554286.db2.gz BPPUSGGPTSFZQO-UHFFFAOYSA-N 1 2 372.834 2.579 20 5 FFBDLO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000181978952 510690015 /nfs/dbraw/zinc/69/00/15/510690015.db2.gz HWNXECCGMPPWOM-UHFFFAOYSA-N 1 2 357.410 2.813 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000178833632 510796482 /nfs/dbraw/zinc/79/64/82/510796482.db2.gz BDIOWECSEVCCQK-CYBMUJFWSA-N 1 2 363.414 2.505 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000178833632 510796489 /nfs/dbraw/zinc/79/64/89/510796489.db2.gz BDIOWECSEVCCQK-CYBMUJFWSA-N 1 2 363.414 2.505 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178838298 510797771 /nfs/dbraw/zinc/79/77/71/510797771.db2.gz IYTHMWHXOZCXAQ-ZDUSSCGKSA-N 1 2 363.414 2.505 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178838298 510797772 /nfs/dbraw/zinc/79/77/72/510797772.db2.gz IYTHMWHXOZCXAQ-ZDUSSCGKSA-N 1 2 363.414 2.505 20 5 FFBDLO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000172610819 510821080 /nfs/dbraw/zinc/82/10/80/510821080.db2.gz XYMOTFPHGGQDFR-SNVBAGLBSA-N 1 2 374.788 2.580 20 5 FFBDLO C[C@@H](c1nnnn1-c1ccccc1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285358157 510874143 /nfs/dbraw/zinc/87/41/43/510874143.db2.gz QBLPJMONSKQPFQ-AWEZNQCLSA-N 1 2 352.398 2.806 20 5 FFBDLO C[C@@H](c1nnnn1-c1ccccc1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285358157 510874148 /nfs/dbraw/zinc/87/41/48/510874148.db2.gz QBLPJMONSKQPFQ-AWEZNQCLSA-N 1 2 352.398 2.806 20 5 FFBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000360939268 510968547 /nfs/dbraw/zinc/96/85/47/510968547.db2.gz BZKNAAIYJVRQLO-ZDUSSCGKSA-N 1 2 374.466 2.967 20 5 FFBDLO Cc1noc(C2(C)CC[NH+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000364693875 511022737 /nfs/dbraw/zinc/02/27/37/511022737.db2.gz FEKNEWYLWGWLME-GFCCVEGCSA-N 1 2 373.413 2.667 20 5 FFBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282688306 511074701 /nfs/dbraw/zinc/07/47/01/511074701.db2.gz DPIWWEADSAXCFQ-ZDUSSCGKSA-N 1 2 369.425 2.730 20 5 FFBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCCCNc1cccc[nH+]1 ZINC000282848382 511133635 /nfs/dbraw/zinc/13/36/35/511133635.db2.gz UISXHTMBBSNODB-UHFFFAOYSA-N 1 2 357.414 2.676 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c([N+](=O)[O-])c1 ZINC000298440800 511284986 /nfs/dbraw/zinc/28/49/86/511284986.db2.gz YZIHSKRBQVXDCK-DZGCQCFKSA-N 1 2 355.341 2.519 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c([N+](=O)[O-])c1 ZINC000298440800 511284988 /nfs/dbraw/zinc/28/49/88/511284988.db2.gz YZIHSKRBQVXDCK-DZGCQCFKSA-N 1 2 355.341 2.519 20 5 FFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291996770 511423621 /nfs/dbraw/zinc/42/36/21/511423621.db2.gz XDIARVPKBGOZKR-JQWIXIFHSA-N 1 2 368.340 2.655 20 5 FFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291996770 511423623 /nfs/dbraw/zinc/42/36/23/511423623.db2.gz XDIARVPKBGOZKR-JQWIXIFHSA-N 1 2 368.340 2.655 20 5 FFBDLO CC(C)(CCC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)[N+](=O)[O-] ZINC000295605061 511457836 /nfs/dbraw/zinc/45/78/36/511457836.db2.gz PJBGJUNYQSFKSA-UHFFFAOYSA-N 1 2 350.806 2.977 20 5 FFBDLO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000280734244 511581742 /nfs/dbraw/zinc/58/17/42/511581742.db2.gz JAZVZCHPURHKJD-ZDUSSCGKSA-N 1 2 361.423 2.929 20 5 FFBDLO CSc1ccc(-c2nc([C@H]3C[N@@H+](C4CC4)CCO3)no2)cc1[N+](=O)[O-] ZINC000273763684 511601313 /nfs/dbraw/zinc/60/13/13/511601313.db2.gz DDBGNFXUNMPARM-CYBMUJFWSA-N 1 2 362.411 2.902 20 5 FFBDLO CSc1ccc(-c2nc([C@H]3C[N@H+](C4CC4)CCO3)no2)cc1[N+](=O)[O-] ZINC000273763684 511601316 /nfs/dbraw/zinc/60/13/16/511601316.db2.gz DDBGNFXUNMPARM-CYBMUJFWSA-N 1 2 362.411 2.902 20 5 FFBDLO Cn1cc([N+](=O)[O-])cc1-c1nc([C@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000349836521 511672108 /nfs/dbraw/zinc/67/21/08/511672108.db2.gz FJIIBFXGMYAGIH-MRXNPFEDSA-N 1 2 369.381 2.557 20 5 FFBDLO Cn1cc([N+](=O)[O-])cc1-c1nc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000349836521 511672110 /nfs/dbraw/zinc/67/21/10/511672110.db2.gz FJIIBFXGMYAGIH-MRXNPFEDSA-N 1 2 369.381 2.557 20 5 FFBDLO COc1ccc([C@H](CNc2nccc(C)c2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000301309733 511693593 /nfs/dbraw/zinc/69/35/93/511693593.db2.gz YAHRCUPMIPMMQH-KRWDZBQOSA-N 1 2 372.425 2.792 20 5 FFBDLO Cc1ccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC000281054848 511704030 /nfs/dbraw/zinc/70/40/30/511704030.db2.gz XZZDCOPNSHPLPL-UHFFFAOYSA-N 1 2 359.382 2.802 20 5 FFBDLO Cc1c(C[N@H+]2CCN(C)[C@H](c3nc(C4CC4)no3)C2)cccc1[N+](=O)[O-] ZINC000284806182 511876917 /nfs/dbraw/zinc/87/69/17/511876917.db2.gz IJNOZCCLLWWJNM-INIZCTEOSA-N 1 2 357.414 2.652 20 5 FFBDLO Cc1c(C[N@@H+]2CCN(C)[C@H](c3nc(C4CC4)no3)C2)cccc1[N+](=O)[O-] ZINC000284806182 511876925 /nfs/dbraw/zinc/87/69/25/511876925.db2.gz IJNOZCCLLWWJNM-INIZCTEOSA-N 1 2 357.414 2.652 20 5 FFBDLO COc1cc(Cc2noc(Cc3ccc(C)[nH+]c3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000351021581 511930207 /nfs/dbraw/zinc/93/02/07/511930207.db2.gz GCRYKNJYKRUXKG-UHFFFAOYSA-N 1 2 370.365 2.880 20 5 FFBDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000366315641 511954861 /nfs/dbraw/zinc/95/48/61/511954861.db2.gz RWIZWXBVIFXCGA-CYBMUJFWSA-N 1 2 363.377 2.667 20 5 FFBDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000366315641 511954866 /nfs/dbraw/zinc/95/48/66/511954866.db2.gz RWIZWXBVIFXCGA-CYBMUJFWSA-N 1 2 363.377 2.667 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F ZINC000366364082 511979503 /nfs/dbraw/zinc/97/95/03/511979503.db2.gz AFXYDALLXAGIJW-GXFFZTMASA-N 1 2 370.331 2.655 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F ZINC000366364082 511979512 /nfs/dbraw/zinc/97/95/12/511979512.db2.gz AFXYDALLXAGIJW-GXFFZTMASA-N 1 2 370.331 2.655 20 5 FFBDLO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@]2(CCCOC2)O1 ZINC000366484455 512048116 /nfs/dbraw/zinc/04/81/16/512048116.db2.gz JDSNXHZXPBWAAI-PXAZEXFGSA-N 1 2 372.368 2.966 20 5 FFBDLO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@]2(CCCOC2)O1 ZINC000366484455 512048122 /nfs/dbraw/zinc/04/81/22/512048122.db2.gz JDSNXHZXPBWAAI-PXAZEXFGSA-N 1 2 372.368 2.966 20 5 FFBDLO Cc1[nH+]c2cc(CNC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)ccc2n1C1CC1 ZINC000293706423 512057802 /nfs/dbraw/zinc/05/78/02/512057802.db2.gz UFGZXLKACJWYDU-UHFFFAOYSA-N 1 2 367.365 2.618 20 5 FFBDLO O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000364443605 512109452 /nfs/dbraw/zinc/10/94/52/512109452.db2.gz KHYTXQJJOYAKPY-CVEARBPZSA-N 1 2 367.833 2.621 20 5 FFBDLO C[N@@H+]1CCc2nc(NC(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000411177637 512505630 /nfs/dbraw/zinc/50/56/30/512505630.db2.gz WIIFAFMJODEYCV-QWHCGFSZSA-N 1 2 358.423 2.781 20 5 FFBDLO C[N@H+]1CCc2nc(NC(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000411177637 512505632 /nfs/dbraw/zinc/50/56/32/512505632.db2.gz WIIFAFMJODEYCV-QWHCGFSZSA-N 1 2 358.423 2.781 20 5 FFBDLO Cc1cn2c([nH+]1)CN(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000371695752 512531204 /nfs/dbraw/zinc/53/12/04/512531204.db2.gz HQQBIMFVRDXYTC-UHFFFAOYSA-N 1 2 357.414 2.648 20 5 FFBDLO O=C(CC[N@@H+]1CCOC[C@@H]1c1ccco1)Nc1cc([N+](=O)[O-])ccc1F ZINC000375975799 512597085 /nfs/dbraw/zinc/59/70/85/512597085.db2.gz SHOWFOUHZLAJKT-OAHLLOKOSA-N 1 2 363.345 2.729 20 5 FFBDLO O=C(CC[N@H+]1CCOC[C@@H]1c1ccco1)Nc1cc([N+](=O)[O-])ccc1F ZINC000375975799 512597087 /nfs/dbraw/zinc/59/70/87/512597087.db2.gz SHOWFOUHZLAJKT-OAHLLOKOSA-N 1 2 363.345 2.729 20 5 FFBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000369820285 512629039 /nfs/dbraw/zinc/62/90/39/512629039.db2.gz ULHKMRJQSDQGJJ-OAHLLOKOSA-N 1 2 371.441 2.535 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H]2[C@H]1[C@H]2C(F)(F)F ZINC000369969092 512704407 /nfs/dbraw/zinc/70/44/07/512704407.db2.gz HLNOCIDFRASEMC-BPNCWPANSA-N 1 2 366.299 2.803 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000370044958 512740114 /nfs/dbraw/zinc/74/01/14/512740114.db2.gz IRVVKRPVGMBMEG-UHFFFAOYSA-N 1 2 364.352 2.701 20 5 FFBDLO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000376509684 512850003 /nfs/dbraw/zinc/85/00/03/512850003.db2.gz ORISCCKSMYTAQA-AWEZNQCLSA-N 1 2 350.371 2.742 20 5 FFBDLO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000411996280 512907267 /nfs/dbraw/zinc/90/72/67/512907267.db2.gz GEQJXDHFJOITQK-TUAOUCFPSA-N 1 2 358.402 2.580 20 5 FFBDLO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000411996280 512907270 /nfs/dbraw/zinc/90/72/70/512907270.db2.gz GEQJXDHFJOITQK-TUAOUCFPSA-N 1 2 358.402 2.580 20 5 FFBDLO Cc1cn2c([nH+]1)CN(C(=O)c1csc(-c3cccc([N+](=O)[O-])c3)n1)CC2 ZINC000374666966 512946220 /nfs/dbraw/zinc/94/62/20/512946220.db2.gz VTLNMGXEKYVYIE-UHFFFAOYSA-N 1 2 369.406 2.879 20 5 FFBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3ccncn3)C2)cccc1[N+](=O)[O-] ZINC000372584254 512954341 /nfs/dbraw/zinc/95/43/41/512954341.db2.gz OANYNUFAXNMLKP-LSDHHAIUSA-N 1 2 369.425 2.900 20 5 FFBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3ccncn3)C2)cccc1[N+](=O)[O-] ZINC000372584254 512954344 /nfs/dbraw/zinc/95/43/44/512954344.db2.gz OANYNUFAXNMLKP-LSDHHAIUSA-N 1 2 369.425 2.900 20 5 FFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000428697532 513167819 /nfs/dbraw/zinc/16/78/19/513167819.db2.gz AGRDYNNRBXFNNT-AWEZNQCLSA-N 1 2 352.456 2.947 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000446085446 513182161 /nfs/dbraw/zinc/18/21/61/513182161.db2.gz WHZZADCALZVSSB-IINYFYTJSA-N 1 2 355.822 2.668 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000446085446 513182171 /nfs/dbraw/zinc/18/21/71/513182171.db2.gz WHZZADCALZVSSB-IINYFYTJSA-N 1 2 355.822 2.668 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@@H]1[C@@H]1CCCC1=O ZINC000450478634 513213733 /nfs/dbraw/zinc/21/37/33/513213733.db2.gz HXFWWKOUGDYIHF-LSDHHAIUSA-N 1 2 368.393 2.754 20 5 FFBDLO CCC(=O)[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450493116 513218790 /nfs/dbraw/zinc/21/87/90/513218790.db2.gz ZSDFVEBOATULPV-OAHLLOKOSA-N 1 2 356.382 2.754 20 5 FFBDLO CC(C)CCC[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000428939653 513229015 /nfs/dbraw/zinc/22/90/15/513229015.db2.gz NKEQZCKCTHAAGD-UHFFFAOYSA-N 1 2 369.487 2.557 20 5 FFBDLO COc1ccc(-c2noc(C[NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)n2)nn1 ZINC000450677888 513301155 /nfs/dbraw/zinc/30/11/55/513301155.db2.gz HCOVPJLOSZUJNR-LLVKDONJSA-N 1 2 370.369 2.603 20 5 FFBDLO Cc1cccc(CN(C)c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])n1 ZINC000450929861 513410345 /nfs/dbraw/zinc/41/03/45/513410345.db2.gz KIECJSSUHSDXER-UHFFFAOYSA-N 1 2 356.426 2.767 20 5 FFBDLO CCO[C@@H]1C[C@H](O)C12CCN(c1[nH+]ccc3ccc([N+](=O)[O-])cc31)CC2 ZINC000413167311 513495792 /nfs/dbraw/zinc/49/57/92/513495792.db2.gz VHMUIDLNSLERTO-DLBZAZTESA-N 1 2 357.410 2.899 20 5 FFBDLO CCc1nsc(N2CCN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)CC2)n1 ZINC000413173333 513500064 /nfs/dbraw/zinc/50/00/64/513500064.db2.gz QRXFJKPWPBVAJI-UHFFFAOYSA-N 1 2 370.438 2.884 20 5 FFBDLO C[N@@H+](Cc1c(Cl)cccc1Cl)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441284504 513529389 /nfs/dbraw/zinc/52/93/89/513529389.db2.gz KGUFXOHIPYMWCS-NSHDSACASA-N 1 2 359.213 2.591 20 5 FFBDLO C[N@H+](Cc1c(Cl)cccc1Cl)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441284504 513529394 /nfs/dbraw/zinc/52/93/94/513529394.db2.gz KGUFXOHIPYMWCS-NSHDSACASA-N 1 2 359.213 2.591 20 5 FFBDLO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425426158 513560248 /nfs/dbraw/zinc/56/02/48/513560248.db2.gz VLIQPXBWRANSPB-CYBMUJFWSA-N 1 2 368.231 2.554 20 5 FFBDLO O=C1CCCN1[C@@H]1CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425426158 513560253 /nfs/dbraw/zinc/56/02/53/513560253.db2.gz VLIQPXBWRANSPB-CYBMUJFWSA-N 1 2 368.231 2.554 20 5 FFBDLO O=[N+]([O-])c1cc(Br)ccc1C[NH+]1CCC(O)(C(F)F)CC1 ZINC000425432876 513563758 /nfs/dbraw/zinc/56/37/58/513563758.db2.gz LZUYLXROTFBFSL-UHFFFAOYSA-N 1 2 365.174 2.949 20 5 FFBDLO CC(C)C[C@@H](CCO)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447805944 513575449 /nfs/dbraw/zinc/57/54/49/513575449.db2.gz KZTJCZJIVYJVNF-MRXNPFEDSA-N 1 2 365.474 2.884 20 5 FFBDLO C[C@@H](O)C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000447840324 513593431 /nfs/dbraw/zinc/59/34/31/513593431.db2.gz RCZAIAVGFDHZKP-VXGBXAGGSA-N 1 2 355.822 2.812 20 5 FFBDLO C[C@@H](O)C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000447840324 513593436 /nfs/dbraw/zinc/59/34/36/513593436.db2.gz RCZAIAVGFDHZKP-VXGBXAGGSA-N 1 2 355.822 2.812 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCSC[C@@H]1C1CCC1 ZINC000419362147 513788690 /nfs/dbraw/zinc/78/86/90/513788690.db2.gz BESGAPXYTUVGLP-OAHLLOKOSA-N 1 2 365.455 2.759 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCSC[C@@H]1C1CCC1 ZINC000419362147 513788698 /nfs/dbraw/zinc/78/86/98/513788698.db2.gz BESGAPXYTUVGLP-OAHLLOKOSA-N 1 2 365.455 2.759 20 5 FFBDLO CC(C)CN1C[C@H]2C[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000425960949 513808327 /nfs/dbraw/zinc/80/83/27/513808327.db2.gz ZKLCVYHEESAYBS-XTKXOIQPSA-N 1 2 358.442 2.686 20 5 FFBDLO CC(C)CN1C[C@H]2C[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000425960949 513808332 /nfs/dbraw/zinc/80/83/32/513808332.db2.gz ZKLCVYHEESAYBS-XTKXOIQPSA-N 1 2 358.442 2.686 20 5 FFBDLO O=[N+]([O-])c1cccc(F)c1CN1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000436257203 513810273 /nfs/dbraw/zinc/81/02/73/513810273.db2.gz CMHJVGFCSILINJ-UXHICEINSA-N 1 2 371.412 2.819 20 5 FFBDLO O=[N+]([O-])c1cccc(F)c1CN1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000436257203 513810282 /nfs/dbraw/zinc/81/02/82/513810282.db2.gz CMHJVGFCSILINJ-UXHICEINSA-N 1 2 371.412 2.819 20 5 FFBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000436257203 513810289 /nfs/dbraw/zinc/81/02/89/513810289.db2.gz CMHJVGFCSILINJ-UXHICEINSA-N 1 2 371.412 2.819 20 5 FFBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000436257203 513810294 /nfs/dbraw/zinc/81/02/94/513810294.db2.gz CMHJVGFCSILINJ-UXHICEINSA-N 1 2 371.412 2.819 20 5 FFBDLO Cn1c2c(cccc2F)[nH+]c1N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000443408190 513962739 /nfs/dbraw/zinc/96/27/39/513962739.db2.gz GTWVXYPCMAECIP-UHFFFAOYSA-N 1 2 355.373 2.947 20 5 FFBDLO Cc1cccc(CC[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c1 ZINC000449013439 514028433 /nfs/dbraw/zinc/02/84/33/514028433.db2.gz CVUUMPWMHROKSD-UHFFFAOYSA-N 1 2 359.451 2.965 20 5 FFBDLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436935924 514041907 /nfs/dbraw/zinc/04/19/07/514041907.db2.gz FARJLMJWYITNLU-CXAGYDPISA-N 1 2 355.394 2.551 20 5 FFBDLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436935924 514041911 /nfs/dbraw/zinc/04/19/11/514041911.db2.gz FARJLMJWYITNLU-CXAGYDPISA-N 1 2 355.394 2.551 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000426894808 514069955 /nfs/dbraw/zinc/06/99/55/514069955.db2.gz DHIIVFSLQVKJKK-AWEZNQCLSA-N 1 2 370.409 2.517 20 5 FFBDLO C[C@H](O)C[C@H]1CCCCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451921956 514072729 /nfs/dbraw/zinc/07/27/29/514072729.db2.gz DHDQELFWBXCDDK-GOEBONIOSA-N 1 2 372.425 2.936 20 5 FFBDLO C[C@@H](O)C[C@H]1CCCCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451921955 514073386 /nfs/dbraw/zinc/07/33/86/514073386.db2.gz DHDQELFWBXCDDK-GDBMZVCRSA-N 1 2 372.425 2.936 20 5 FFBDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000451931707 514079543 /nfs/dbraw/zinc/07/95/43/514079543.db2.gz LYHIHKYEDPQKSJ-SNVBAGLBSA-N 1 2 372.834 2.813 20 5 FFBDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000451935704 514081344 /nfs/dbraw/zinc/08/13/44/514081344.db2.gz RQJZSIVFECKELN-VIFPVBQESA-N 1 2 358.807 2.504 20 5 FFBDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000451936119 514082520 /nfs/dbraw/zinc/08/25/20/514082520.db2.gz SUFXISGJCKQESW-SECBINFHSA-N 1 2 358.807 2.504 20 5 FFBDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444011097 514099488 /nfs/dbraw/zinc/09/94/88/514099488.db2.gz RPWVHEDLNPDTNU-UHFFFAOYSA-N 1 2 368.343 2.955 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000452055199 514164959 /nfs/dbraw/zinc/16/49/59/514164959.db2.gz RIQVAYUYMQLTRM-LSDHHAIUSA-N 1 2 371.441 2.544 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000452055199 514164964 /nfs/dbraw/zinc/16/49/64/514164964.db2.gz RIQVAYUYMQLTRM-LSDHHAIUSA-N 1 2 371.441 2.544 20 5 FFBDLO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444282222 514179496 /nfs/dbraw/zinc/17/94/96/514179496.db2.gz AYYBEPWYDIUJTC-STQMWFEESA-N 1 2 367.424 2.985 20 5 FFBDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444282222 514179499 /nfs/dbraw/zinc/17/94/99/514179499.db2.gz AYYBEPWYDIUJTC-STQMWFEESA-N 1 2 367.424 2.985 20 5 FFBDLO C[C@H](O)[C@H]1C[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CCO1 ZINC000414593109 514197860 /nfs/dbraw/zinc/19/78/60/514197860.db2.gz QOVCFPPEDQVDSH-MGPUTAFESA-N 1 2 371.437 2.944 20 5 FFBDLO C[C@H](O)[C@H]1C[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CCO1 ZINC000414593109 514197864 /nfs/dbraw/zinc/19/78/64/514197864.db2.gz QOVCFPPEDQVDSH-MGPUTAFESA-N 1 2 371.437 2.944 20 5 FFBDLO C[C@@H](O)[C@H]1C[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CCO1 ZINC000414593103 514197937 /nfs/dbraw/zinc/19/79/37/514197937.db2.gz QOVCFPPEDQVDSH-FOIQADDNSA-N 1 2 371.437 2.944 20 5 FFBDLO C[C@@H](O)[C@H]1C[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CCO1 ZINC000414593103 514197940 /nfs/dbraw/zinc/19/79/40/514197940.db2.gz QOVCFPPEDQVDSH-FOIQADDNSA-N 1 2 371.437 2.944 20 5 FFBDLO C[C@H](NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000452182747 514236888 /nfs/dbraw/zinc/23/68/88/514236888.db2.gz IVPZUAZPBWENAM-JKIFEVAISA-N 1 2 354.410 2.940 20 5 FFBDLO O=C(NCc1ccc2c(c1)COC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000432717975 514266968 /nfs/dbraw/zinc/26/69/68/514266968.db2.gz MMHIGWQIQHSAOQ-UHFFFAOYSA-N 1 2 364.361 2.741 20 5 FFBDLO O=C(Nc1c[nH+]c2n1CCCC2)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000452336889 514290775 /nfs/dbraw/zinc/29/07/75/514290775.db2.gz XLDBXXUNLGTDIL-UHFFFAOYSA-N 1 2 352.297 2.981 20 5 FFBDLO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cn(-c2ccccc2)nn1 ZINC000444681988 514291343 /nfs/dbraw/zinc/29/13/43/514291343.db2.gz YBPALVWPMOHDFE-GFCCVEGCSA-N 1 2 363.381 2.903 20 5 FFBDLO Cc1cc(N(C)[C@@H](CO)COC(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000432874362 514308960 /nfs/dbraw/zinc/30/89/60/514308960.db2.gz BCVFDIPGZOBPCH-INIZCTEOSA-N 1 2 360.414 2.582 20 5 FFBDLO CC(C)[C@H]1OCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450060463 514484393 /nfs/dbraw/zinc/48/43/93/514484393.db2.gz WGNCVHFWSNMFEI-CRAIPNDOSA-N 1 2 372.425 2.962 20 5 FFBDLO Nc1c(NCCCCc2ccc([N+](=O)[O-])cc2)[nH+]cnc1-n1cccn1 ZINC000439103053 514493691 /nfs/dbraw/zinc/49/36/91/514493691.db2.gz VAISYYWKYYKSOG-UHFFFAOYSA-N 1 2 353.386 2.588 20 5 FFBDLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452841431 514512565 /nfs/dbraw/zinc/51/25/65/514512565.db2.gz HDKGVEZKGOGEGX-JKSUJKDBSA-N 1 2 354.410 2.760 20 5 FFBDLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000450178070 514523661 /nfs/dbraw/zinc/52/36/61/514523661.db2.gz ZXNBAAYSHHCZGG-VIFPVBQESA-N 1 2 354.288 2.624 20 5 FFBDLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000450178070 514523670 /nfs/dbraw/zinc/52/36/70/514523670.db2.gz ZXNBAAYSHHCZGG-VIFPVBQESA-N 1 2 354.288 2.624 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000470956360 514691675 /nfs/dbraw/zinc/69/16/75/514691675.db2.gz SAFVMOAOOVBUKF-GXSJLCMTSA-N 1 2 361.320 2.815 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000470956360 514691682 /nfs/dbraw/zinc/69/16/82/514691682.db2.gz SAFVMOAOOVBUKF-GXSJLCMTSA-N 1 2 361.320 2.815 20 5 FFBDLO CCNc1ccc(C(=O)N2CCN(c3c[nH+]ccc3C)CC2)cc1[N+](=O)[O-] ZINC000466586036 514700637 /nfs/dbraw/zinc/70/06/37/514700637.db2.gz BVSWRPFRSYMIHI-UHFFFAOYSA-N 1 2 369.425 2.692 20 5 FFBDLO Cc1cc(NCCO[C@@H]2CCCCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000461890642 514769601 /nfs/dbraw/zinc/76/96/01/514769601.db2.gz NPSHBUMKWZMBIG-QGZVFWFLSA-N 1 2 358.398 2.737 20 5 FFBDLO CCOc1cc(N2CCN(c3cc[nH+]c(C4CC4)n3)CC2)ccc1[N+](=O)[O-] ZINC000480631383 515026812 /nfs/dbraw/zinc/02/68/12/515026812.db2.gz ONCGCWLSFZXPKB-UHFFFAOYSA-N 1 2 369.425 2.988 20 5 FFBDLO COc1cc(C[N@H+](C)[C@@H]2CCN(c3ccccc3)C2=O)ccc1[N+](=O)[O-] ZINC000490007711 515066491 /nfs/dbraw/zinc/06/64/91/515066491.db2.gz XUWNYXXSQNMBHJ-QGZVFWFLSA-N 1 2 355.394 2.841 20 5 FFBDLO COc1cc(C[N@@H+](C)[C@@H]2CCN(c3ccccc3)C2=O)ccc1[N+](=O)[O-] ZINC000490007711 515066499 /nfs/dbraw/zinc/06/64/99/515066499.db2.gz XUWNYXXSQNMBHJ-QGZVFWFLSA-N 1 2 355.394 2.841 20 5 FFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000456347390 515114133 /nfs/dbraw/zinc/11/41/33/515114133.db2.gz JMRNXTSXSZODSZ-ZDUSSCGKSA-N 1 2 357.414 2.902 20 5 FFBDLO CCOc1cc(C(=O)N[C@@H](C)c2[nH+]ccn2CC)c([N+](=O)[O-])cc1OC ZINC000456373100 515136273 /nfs/dbraw/zinc/13/62/73/515136273.db2.gz FUJQJMJEPHRBPQ-NSHDSACASA-N 1 2 362.386 2.710 20 5 FFBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000462746093 515220767 /nfs/dbraw/zinc/22/07/67/515220767.db2.gz RQDWZDYUAMIOIS-INIZCTEOSA-N 1 2 356.426 2.941 20 5 FFBDLO O=C(C1CC1)N1CCN(c2ccc(Nc3ccccc3[N+](=O)[O-])c[nH+]2)CC1 ZINC000504195984 515241383 /nfs/dbraw/zinc/24/13/83/515241383.db2.gz SMSKOFXOCLEPBI-UHFFFAOYSA-N 1 2 367.409 2.792 20 5 FFBDLO CC(C)(C)c1cnc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)o1 ZINC000472386161 515254208 /nfs/dbraw/zinc/25/42/08/515254208.db2.gz SMIRDIAHXFZSEI-UHFFFAOYSA-N 1 2 369.381 2.996 20 5 FFBDLO Cc1cnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c([N+](=O)[O-])c1 ZINC000463052933 515349394 /nfs/dbraw/zinc/34/93/94/515349394.db2.gz DRQGSVVBBJHFAF-UHFFFAOYSA-N 1 2 356.430 2.847 20 5 FFBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454341071 515414999 /nfs/dbraw/zinc/41/49/99/515414999.db2.gz OFJBHNGEXGGWJE-GOEBONIOSA-N 1 2 357.414 2.769 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000473155850 515518764 /nfs/dbraw/zinc/51/87/64/515518764.db2.gz BTWHUZHHOXNGOM-HXUWFJFHSA-N 1 2 367.405 2.973 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000473155850 515518773 /nfs/dbraw/zinc/51/87/73/515518773.db2.gz BTWHUZHHOXNGOM-HXUWFJFHSA-N 1 2 367.405 2.973 20 5 FFBDLO CN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000492582766 515547416 /nfs/dbraw/zinc/54/74/16/515547416.db2.gz XQHFWQVTLYDXCJ-SFHVURJKSA-N 1 2 366.377 2.945 20 5 FFBDLO CN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000492877814 515572962 /nfs/dbraw/zinc/57/29/62/515572962.db2.gz MIPHJYQAEOLZET-INIZCTEOSA-N 1 2 351.366 2.762 20 5 FFBDLO Cc1nn(C)c(N2CCc3c([nH+]cn3-c3ccc(C)cc3)C2)c1[N+](=O)[O-] ZINC000486791009 515636292 /nfs/dbraw/zinc/63/62/92/515636292.db2.gz OCPMQFGGAPQKFO-UHFFFAOYSA-N 1 2 352.398 2.694 20 5 FFBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000506181968 515809119 /nfs/dbraw/zinc/80/91/19/515809119.db2.gz HDQDAFJTKOGRNE-UHFFFAOYSA-N 1 2 367.471 2.501 20 5 FFBDLO CCOc1cc(N2CC[NH+](Cc3cc(OC)ccn3)CC2)ccc1[N+](=O)[O-] ZINC000482886379 515836840 /nfs/dbraw/zinc/83/68/40/515836840.db2.gz GIDYYMWMZHWOGZ-UHFFFAOYSA-N 1 2 372.425 2.719 20 5 FFBDLO CCOc1cc(N2CCN(Cc3cc(OC)cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000482886379 515836847 /nfs/dbraw/zinc/83/68/47/515836847.db2.gz GIDYYMWMZHWOGZ-UHFFFAOYSA-N 1 2 372.425 2.719 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000501192098 516013210 /nfs/dbraw/zinc/01/32/10/516013210.db2.gz OEORWILMCXUDBE-UHFFFAOYSA-N 1 2 368.437 2.903 20 5 FFBDLO CC1CCN(c2ccc(C(=O)Nc3cc[nH+]cc3O)cc2[N+](=O)[O-])CC1 ZINC000512003367 516112993 /nfs/dbraw/zinc/11/29/93/516112993.db2.gz UQWBFIXJMIJEQF-UHFFFAOYSA-N 1 2 356.382 2.606 20 5 FFBDLO CC[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1[nH]cc[nH+]1 ZINC000474604880 516117749 /nfs/dbraw/zinc/11/77/49/516117749.db2.gz HVQPADKAEGASKT-CQSZACIVSA-N 1 2 357.414 2.802 20 5 FFBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000501567924 516156529 /nfs/dbraw/zinc/15/65/29/516156529.db2.gz HXZODGXFSJLWLF-SECBINFHSA-N 1 2 354.288 2.555 20 5 FFBDLO Cc1cccc2[nH+]c(CNC(=O)NCCc3ccccc3[N+](=O)[O-])cn21 ZINC000483745102 516199524 /nfs/dbraw/zinc/19/95/24/516199524.db2.gz JYOXDQYWGMQKPN-UHFFFAOYSA-N 1 2 353.382 2.593 20 5 FFBDLO Cc1ccc(C[S@@](=O)CCC(=O)Nc2ccccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000507691849 516283490 /nfs/dbraw/zinc/28/34/90/516283490.db2.gz FXYIBKMECHWILW-VWLOTQADSA-N 1 2 361.423 2.884 20 5 FFBDLO C[C@@H](c1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000497507191 516324447 /nfs/dbraw/zinc/32/44/47/516324447.db2.gz IIGOXCIRBVCUGZ-ZDUSSCGKSA-N 1 2 371.393 2.946 20 5 FFBDLO Cc1ccc2[nH+]c(CNc3cccc(S(C)(=O)=O)c3[N+](=O)[O-])cn2c1 ZINC000497554793 516326205 /nfs/dbraw/zinc/32/62/05/516326205.db2.gz KXCWFVMDJWRAMW-UHFFFAOYSA-N 1 2 360.395 2.567 20 5 FFBDLO Cc1ccc2[nH+]c(CNC(=O)NCCc3cccc([N+](=O)[O-])c3)cn2c1 ZINC000550584587 516339499 /nfs/dbraw/zinc/33/94/99/516339499.db2.gz ZORHVXHJUWMYTO-UHFFFAOYSA-N 1 2 353.382 2.593 20 5 FFBDLO C[NH+](C)[C@@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])c1ccccc1Cl ZINC000539935912 516362521 /nfs/dbraw/zinc/36/25/21/516362521.db2.gz YFQIZWYRGQIIQV-AWEZNQCLSA-N 1 2 363.801 2.987 20 5 FFBDLO COc1ccc(OCC[N@@H+]2CCOc3cc(O)ccc3C2)c([N+](=O)[O-])c1 ZINC000513154229 516496563 /nfs/dbraw/zinc/49/65/63/516496563.db2.gz OEEJWLLLURRFTN-UHFFFAOYSA-N 1 2 360.366 2.582 20 5 FFBDLO COc1ccc(OCC[N@H+]2CCOc3cc(O)ccc3C2)c([N+](=O)[O-])c1 ZINC000513154229 516496571 /nfs/dbraw/zinc/49/65/71/516496571.db2.gz OEEJWLLLURRFTN-UHFFFAOYSA-N 1 2 360.366 2.582 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cc(Cl)cc4c3OCC4)CC2)cn1 ZINC000543987144 516526191 /nfs/dbraw/zinc/52/61/91/516526191.db2.gz WKFXJOVIQYWMDW-UHFFFAOYSA-N 1 2 374.828 2.900 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H]2Cc2ccccc2)cc1 ZINC000544144297 516612540 /nfs/dbraw/zinc/61/25/40/516612540.db2.gz QTOCGQIABUAWHZ-KRWDZBQOSA-N 1 2 360.435 2.686 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@H]2Cc2ccccc2)cc1 ZINC000544144297 516612550 /nfs/dbraw/zinc/61/25/50/516612550.db2.gz QTOCGQIABUAWHZ-KRWDZBQOSA-N 1 2 360.435 2.686 20 5 FFBDLO COC(=O)[C@@H]([NH2+]CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000513425875 516617225 /nfs/dbraw/zinc/61/72/25/516617225.db2.gz BPJSONGMHIHUCM-ZDUSSCGKSA-N 1 2 361.320 2.567 20 5 FFBDLO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCCCCn1cc[nH+]c1 ZINC000523951031 516617278 /nfs/dbraw/zinc/61/72/78/516617278.db2.gz NFYKGICLLWEKSU-UHFFFAOYSA-N 1 2 366.805 2.810 20 5 FFBDLO CCc1cc(N[C@@H](C)Cn2cc[nH+]c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000536983061 516994917 /nfs/dbraw/zinc/99/49/17/516994917.db2.gz MTYRHIUNOJQZHS-ZDUSSCGKSA-N 1 2 352.398 2.733 20 5 FFBDLO C[C@H](C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000555736784 517092944 /nfs/dbraw/zinc/09/29/44/517092944.db2.gz LVPGELWFRXIZKF-HNNXBMFYSA-N 1 2 369.421 2.748 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCc4ccc(O)cc4C3)n2)cc1 ZINC000532733752 517121181 /nfs/dbraw/zinc/12/11/81/517121181.db2.gz DPSBJSQWUKXXRG-UHFFFAOYSA-N 1 2 352.350 2.909 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCc4ccc(O)cc4C3)n2)cc1 ZINC000532733752 517121187 /nfs/dbraw/zinc/12/11/87/517121187.db2.gz DPSBJSQWUKXXRG-UHFFFAOYSA-N 1 2 352.350 2.909 20 5 FFBDLO Cc1c(Br)c(N2CC[C@H]([NH+]3CC=CC3)C2)ncc1[N+](=O)[O-] ZINC000541578271 517122133 /nfs/dbraw/zinc/12/21/33/517122133.db2.gz ITVZFNZDUPEKKL-NSHDSACASA-N 1 2 353.220 2.511 20 5 FFBDLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000541683862 517170027 /nfs/dbraw/zinc/17/00/27/517170027.db2.gz BUCRQZYIAIPCCA-JGVFFNPUSA-N 1 2 353.766 2.617 20 5 FFBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CCOc2ccccc2F)CC1 ZINC000559449660 517263309 /nfs/dbraw/zinc/26/33/09/517263309.db2.gz DKXVAUGEHLJYPD-UHFFFAOYSA-N 1 2 373.384 2.571 20 5 FFBDLO CCOc1cc(C[NH2+]C(C)(C)c2cc(C(=O)OC)on2)ccc1[N+](=O)[O-] ZINC000515255687 517274906 /nfs/dbraw/zinc/27/49/06/517274906.db2.gz LCUBNOCUJPQRLC-UHFFFAOYSA-N 1 2 363.370 2.793 20 5 FFBDLO O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000552536175 517298009 /nfs/dbraw/zinc/29/80/09/517298009.db2.gz RLTKJXMHKGBZKS-UHFFFAOYSA-N 1 2 366.381 2.630 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@H](CO)c3cccc(F)c3)o2)cc1 ZINC000541948682 517304558 /nfs/dbraw/zinc/30/45/58/517304558.db2.gz MZQZUZLKGMQJPL-OAHLLOKOSA-N 1 2 358.329 2.607 20 5 FFBDLO CCOCC[NH+]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000520346088 517353091 /nfs/dbraw/zinc/35/30/91/517353091.db2.gz HAONSMLKSMNSPA-UHFFFAOYSA-N 1 2 363.458 2.687 20 5 FFBDLO Cc1cc(C[C@H](C)[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000520439422 517393749 /nfs/dbraw/zinc/39/37/49/517393749.db2.gz UVUDXQXYXGFWSQ-SJCJKPOMSA-N 1 2 354.414 2.670 20 5 FFBDLO Cn1c2ccccc2nc1[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000533388093 517439513 /nfs/dbraw/zinc/43/95/13/517439513.db2.gz YADPCJVNAIQSER-QGZVFWFLSA-N 1 2 354.414 2.905 20 5 FFBDLO Cn1c2ccccc2nc1[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000533388093 517439521 /nfs/dbraw/zinc/43/95/21/517439521.db2.gz YADPCJVNAIQSER-QGZVFWFLSA-N 1 2 354.414 2.905 20 5 FFBDLO Cc1cc(N2CC[NH+](CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000520882348 517541999 /nfs/dbraw/zinc/54/19/99/517541999.db2.gz XGAPHKSQPSIESR-WBVHZDCISA-N 1 2 374.485 2.720 20 5 FFBDLO COc1ccc(OCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000538378996 517595115 /nfs/dbraw/zinc/59/51/15/517595115.db2.gz PYKSHFZBBIKQOT-IBGZPJMESA-N 1 2 371.437 2.971 20 5 FFBDLO COc1ccc(OCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000538378996 517595124 /nfs/dbraw/zinc/59/51/24/517595124.db2.gz PYKSHFZBBIKQOT-IBGZPJMESA-N 1 2 371.437 2.971 20 5 FFBDLO Cc1ccc[nH+]c1CCNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000516193770 517612546 /nfs/dbraw/zinc/61/25/46/517612546.db2.gz QHWCQRHFNGMIMS-UHFFFAOYSA-N 1 2 360.389 2.929 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](CC(=O)N1CCCC1)C[C@H]1CCCO1 ZINC000542702407 517695571 /nfs/dbraw/zinc/69/55/71/517695571.db2.gz FXNPLNNUEGSRDA-GOSISDBHSA-N 1 2 361.442 2.507 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+](CC(=O)N1CCCC1)C[C@H]1CCCO1 ZINC000542702407 517695575 /nfs/dbraw/zinc/69/55/75/517695575.db2.gz FXNPLNNUEGSRDA-GOSISDBHSA-N 1 2 361.442 2.507 20 5 FFBDLO CC(C)[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ncc[nH]1 ZINC000530486990 517806341 /nfs/dbraw/zinc/80/63/41/517806341.db2.gz KESWIJCHSJRZRI-OAHLLOKOSA-N 1 2 354.370 2.631 20 5 FFBDLO O=C(c1cc([N+](=O)[O-])n[nH]1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000557060732 517830685 /nfs/dbraw/zinc/83/06/85/517830685.db2.gz FMVUOLBTWMRKLI-UHFFFAOYSA-N 1 2 374.788 2.510 20 5 FFBDLO CCc1nc(C)c(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)o1 ZINC000557097682 517849967 /nfs/dbraw/zinc/84/99/67/517849967.db2.gz RUJMHPKCBZENBO-UHFFFAOYSA-N 1 2 355.354 2.569 20 5 FFBDLO COc1cc(N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000534335411 517857109 /nfs/dbraw/zinc/85/71/09/517857109.db2.gz DIFYNTXWICTDQS-DZGCQCFKSA-N 1 2 353.394 2.798 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]C[C@H](O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000560528912 517875315 /nfs/dbraw/zinc/87/53/15/517875315.db2.gz RUUHXWRGGFUDKH-ROUUACIJSA-N 1 2 358.442 2.949 20 5 FFBDLO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000560638634 517947296 /nfs/dbraw/zinc/94/72/96/517947296.db2.gz WWOVTVQNSKRROS-IBGZPJMESA-N 1 2 369.421 2.941 20 5 FFBDLO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000560638634 517947302 /nfs/dbraw/zinc/94/73/02/517947302.db2.gz WWOVTVQNSKRROS-IBGZPJMESA-N 1 2 369.421 2.941 20 5 FFBDLO CCc1cc(NCCc2ncc(C)cn2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000534630111 517971620 /nfs/dbraw/zinc/97/16/20/517971620.db2.gz HCBZCRXAHFMKCU-UHFFFAOYSA-N 1 2 364.409 2.789 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1ccc(-n3cncn3)c(F)c1)CC2 ZINC000539830848 518169837 /nfs/dbraw/zinc/16/98/37/518169837.db2.gz LAAUQNCMCXCKDW-UHFFFAOYSA-N 1 2 353.357 2.873 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1ccc(-n3cncn3)c(F)c1)CC2 ZINC000539830848 518169838 /nfs/dbraw/zinc/16/98/38/518169838.db2.gz LAAUQNCMCXCKDW-UHFFFAOYSA-N 1 2 353.357 2.873 20 5 FFBDLO CC1(C)C(=O)N[C@H]1C1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000582070774 518575967 /nfs/dbraw/zinc/57/59/67/518575967.db2.gz XFUJSKZAVZUYOX-HNNXBMFYSA-N 1 2 353.369 2.610 20 5 FFBDLO COCc1nc(CN[C@@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000582092459 518584183 /nfs/dbraw/zinc/58/41/83/518584183.db2.gz SIGPZXCKZOJYNR-MRXNPFEDSA-N 1 2 373.438 2.810 20 5 FFBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000588005820 518699281 /nfs/dbraw/zinc/69/92/81/518699281.db2.gz FOCQWDXPOSOURM-CYBMUJFWSA-N 1 2 356.382 2.776 20 5 FFBDLO CO[C@H](C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000582550109 518808534 /nfs/dbraw/zinc/80/85/34/518808534.db2.gz LUEFIINICWBWKU-LJQANCHMSA-N 1 2 369.421 2.740 20 5 FFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCCN(CC(F)F)CC2)c1 ZINC000571033946 518893790 /nfs/dbraw/zinc/89/37/90/518893790.db2.gz FIDZPMGWNOPXCT-UHFFFAOYSA-N 1 2 365.327 2.969 20 5 FFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCCN(CC(F)F)CC2)c1 ZINC000571033946 518893795 /nfs/dbraw/zinc/89/37/95/518893795.db2.gz FIDZPMGWNOPXCT-UHFFFAOYSA-N 1 2 365.327 2.969 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000574118792 518994963 /nfs/dbraw/zinc/99/49/63/518994963.db2.gz FYECFKGDYBRWSB-CYBMUJFWSA-N 1 2 352.416 2.610 20 5 FFBDLO Cc1c[nH]nc1C[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000589495408 519017506 /nfs/dbraw/zinc/01/75/06/519017506.db2.gz YRUOWGRYPBKIBV-UHFFFAOYSA-N 1 2 369.347 2.967 20 5 FFBDLO COCc1nc(CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)cs1 ZINC000589605019 519040837 /nfs/dbraw/zinc/04/08/37/519040837.db2.gz BSDSESYZWKEMCK-UHFFFAOYSA-N 1 2 371.422 2.997 20 5 FFBDLO Cn1cc[nH+]c1[C@H](CC(=O)N1CCc2c1cccc2[N+](=O)[O-])C(F)(F)F ZINC000568529052 519088023 /nfs/dbraw/zinc/08/80/23/519088023.db2.gz WNZMWMHKBXZJHC-NSHDSACASA-N 1 2 368.315 2.954 20 5 FFBDLO O=C1CCc2cc([N+](=O)[O-])c(NCC3CC[NH+](CC(F)F)CC3)cc2N1 ZINC000590567797 519268336 /nfs/dbraw/zinc/26/83/36/519268336.db2.gz QYLIQPRLMVYICO-UHFFFAOYSA-N 1 2 368.384 2.869 20 5 FFBDLO CCC1(O)CCC(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000590692876 519319373 /nfs/dbraw/zinc/31/93/73/519319373.db2.gz DKGCUNXXPFVRSR-UHFFFAOYSA-N 1 2 358.398 2.594 20 5 FFBDLO Cc1cn2c([nH+]1)CN(C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])CC2 ZINC000590703245 519324946 /nfs/dbraw/zinc/32/49/46/519324946.db2.gz GXBJDKKYNHTBGR-UHFFFAOYSA-N 1 2 354.288 2.775 20 5 FFBDLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000590758968 519354598 /nfs/dbraw/zinc/35/45/98/519354598.db2.gz OXUHIRLWKBJXTA-SNVBAGLBSA-N 1 2 354.288 2.555 20 5 FFBDLO O=C(C[N@@H+]1CCOCC12CCCCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000590761850 519356007 /nfs/dbraw/zinc/35/60/07/519356007.db2.gz INSIKHUZOJQIRK-UHFFFAOYSA-N 1 2 359.426 2.519 20 5 FFBDLO O=C(C[N@H+]1CCOCC12CCCCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000590761850 519356014 /nfs/dbraw/zinc/35/60/14/519356014.db2.gz INSIKHUZOJQIRK-UHFFFAOYSA-N 1 2 359.426 2.519 20 5 FFBDLO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000566271841 519404551 /nfs/dbraw/zinc/40/45/51/519404551.db2.gz ZHUINJZXUZZWFF-RHSMWYFYSA-N 1 2 369.421 2.941 20 5 FFBDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000566271841 519404558 /nfs/dbraw/zinc/40/45/58/519404558.db2.gz ZHUINJZXUZZWFF-RHSMWYFYSA-N 1 2 369.421 2.941 20 5 FFBDLO COC(=O)COc1ccc(C[NH+]2CC(CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000590968786 519462820 /nfs/dbraw/zinc/46/28/20/519462820.db2.gz MAFGICXTFTVLLF-UHFFFAOYSA-N 1 2 362.304 2.531 20 5 FFBDLO C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC2(CCC2)O1 ZINC000578238431 519492045 /nfs/dbraw/zinc/49/20/45/519492045.db2.gz BBGHZXJJYCBZCP-ZDUSSCGKSA-N 1 2 356.382 2.564 20 5 FFBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)cc1[N+](=O)[O-] ZINC000594507548 520005863 /nfs/dbraw/zinc/00/58/63/520005863.db2.gz GYGOFISOPBSUBR-IAQYHMDHSA-N 1 2 361.402 2.814 20 5 FFBDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000597585239 520119563 /nfs/dbraw/zinc/11/95/63/520119563.db2.gz VGTUDWITMWZUMY-CHWSQXEVSA-N 1 2 368.315 2.767 20 5 FFBDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)[C@@H]1C ZINC000603681389 520341657 /nfs/dbraw/zinc/34/16/57/520341657.db2.gz BPPRTVZTWJEMMN-MDZRGWNJSA-N 1 2 374.485 2.658 20 5 FFBDLO Cc1nccc([C@@H]2CCC[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000603833963 520371252 /nfs/dbraw/zinc/37/12/52/520371252.db2.gz AOSFHGWXAMEZEI-CQSZACIVSA-N 1 2 355.398 2.511 20 5 FFBDLO Cc1nccc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000603833963 520371262 /nfs/dbraw/zinc/37/12/62/520371262.db2.gz AOSFHGWXAMEZEI-CQSZACIVSA-N 1 2 355.398 2.511 20 5 FFBDLO C[C@H]1CCCN(c2ccc(C(=O)N3CCn4cc[nH+]c4C3)cc2[N+](=O)[O-])C1 ZINC000609622673 520383677 /nfs/dbraw/zinc/38/36/77/520383677.db2.gz KVAGGUYTWBDSHV-AWEZNQCLSA-N 1 2 369.425 2.684 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000603902963 520398666 /nfs/dbraw/zinc/39/86/66/520398666.db2.gz WBJMUOBIWAQFNK-CQSZACIVSA-N 1 2 355.398 2.511 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000603902963 520398673 /nfs/dbraw/zinc/39/86/73/520398673.db2.gz WBJMUOBIWAQFNK-CQSZACIVSA-N 1 2 355.398 2.511 20 5 FFBDLO Cc1noc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2ccccc2)c1[N+](=O)[O-] ZINC000595339337 520417071 /nfs/dbraw/zinc/41/70/71/520417071.db2.gz XTHCGTZLZWGFBB-HNNXBMFYSA-N 1 2 358.398 2.676 20 5 FFBDLO Cc1noc(C[N@H+]2CCCC[C@H]2CNC(=O)c2ccccc2)c1[N+](=O)[O-] ZINC000595339337 520417078 /nfs/dbraw/zinc/41/70/78/520417078.db2.gz XTHCGTZLZWGFBB-HNNXBMFYSA-N 1 2 358.398 2.676 20 5 FFBDLO O=C(N1CCN(c2cccc[nH+]2)CC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600892045 520517564 /nfs/dbraw/zinc/51/75/64/520517564.db2.gz BOMZEFGYPWIKGS-UHFFFAOYSA-N 1 2 366.421 2.760 20 5 FFBDLO C[C@@H]1CC2(CN1C(=O)c1ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c1)CCOCC2 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2 369.805 2.603 20 5 FFBDLO Cc1nc([C@@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)no1 ZINC000896240718 735124350 /nfs/dbraw/zinc/12/43/50/735124350.db2.gz RWDKVRQIMCCRHE-SNVBAGLBSA-N 1 2 354.313 2.877 20 5 FFBDLO Cc1nc([C@@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)no1 ZINC000896240718 735124353 /nfs/dbraw/zinc/12/43/53/735124353.db2.gz RWDKVRQIMCCRHE-SNVBAGLBSA-N 1 2 354.313 2.877 20 5 FFBDLO COC(=O)c1cc([N+](=O)[O-])c(NCCNc2cccc[nH+]2)cc1Cl ZINC000741746363 735159814 /nfs/dbraw/zinc/15/98/14/735159814.db2.gz FXHKBUWXMPVLRQ-UHFFFAOYSA-N 1 2 350.762 2.954 20 5 FFBDLO C[N@H+](CC(F)F)C1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000742238024 735213825 /nfs/dbraw/zinc/21/38/25/735213825.db2.gz SKJSRTZUKHVPAR-DAXSKMNVSA-N 1 2 353.369 2.796 20 5 FFBDLO C[N@@H+](CC(F)F)C1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000742238024 735213827 /nfs/dbraw/zinc/21/38/27/735213827.db2.gz SKJSRTZUKHVPAR-DAXSKMNVSA-N 1 2 353.369 2.796 20 5 FFBDLO CC(C)(C)[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1O ZINC000754232737 736138496 /nfs/dbraw/zinc/13/84/96/736138496.db2.gz HUPDMLIDWGRMGX-DOMZBBRYSA-N 1 2 369.849 2.916 20 5 FFBDLO CC(C)(C)[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1O ZINC000754232737 736138499 /nfs/dbraw/zinc/13/84/99/736138499.db2.gz HUPDMLIDWGRMGX-DOMZBBRYSA-N 1 2 369.849 2.916 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(CC(F)F)CC(F)F ZINC000906159675 736464676 /nfs/dbraw/zinc/46/46/76/736464676.db2.gz QBQMABNIFHPWRO-UHFFFAOYSA-N 1 2 360.267 2.753 20 5 FFBDLO CC(=O)OC1CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000769427711 737528412 /nfs/dbraw/zinc/52/84/12/737528412.db2.gz VONWKWOULHVABB-UHFFFAOYSA-N 1 2 357.204 2.885 20 5 FFBDLO Cc1c(Br)cc(C(=O)OCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000772021946 737777526 /nfs/dbraw/zinc/77/75/26/737777526.db2.gz HNVLMAILJAIVEN-UHFFFAOYSA-N 1 2 354.160 2.719 20 5 FFBDLO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CC[C@@](O)(C(F)F)C2)c1 ZINC000930623873 739138763 /nfs/dbraw/zinc/13/87/63/739138763.db2.gz VLKIKUPSCNJGGT-LBPRGKRZSA-N 1 2 351.147 2.559 20 5 FFBDLO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2CC[C@@](O)(C(F)F)C2)c1 ZINC000930623873 739138766 /nfs/dbraw/zinc/13/87/66/739138766.db2.gz VLKIKUPSCNJGGT-LBPRGKRZSA-N 1 2 351.147 2.559 20 5 FFBDLO Cc1cn(C[N@H+]2CCSCC[C@H]2C)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000790476896 739460051 /nfs/dbraw/zinc/46/00/51/739460051.db2.gz HTPHREIXCAMQDK-CYBMUJFWSA-N 1 2 362.455 2.641 20 5 FFBDLO Cc1cn(C[N@@H+]2CCSCC[C@H]2C)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000790476896 739460054 /nfs/dbraw/zinc/46/00/54/739460054.db2.gz HTPHREIXCAMQDK-CYBMUJFWSA-N 1 2 362.455 2.641 20 5 FFBDLO C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@H](O)C(F)(F)F ZINC000801526651 740627969 /nfs/dbraw/zinc/62/79/69/740627969.db2.gz ULLXMJRUESZYTQ-JTQLQIEISA-N 1 2 357.126 2.712 20 5 FFBDLO C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@H](O)C(F)(F)F ZINC000801526651 740627967 /nfs/dbraw/zinc/62/79/67/740627967.db2.gz ULLXMJRUESZYTQ-JTQLQIEISA-N 1 2 357.126 2.712 20 5 FFBDLO COCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802244791 740689617 /nfs/dbraw/zinc/68/96/17/740689617.db2.gz UDBSBQLTYOVYON-ZDUSSCGKSA-N 1 2 372.418 2.534 20 5 FFBDLO COCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802244791 740689621 /nfs/dbraw/zinc/68/96/21/740689621.db2.gz UDBSBQLTYOVYON-ZDUSSCGKSA-N 1 2 372.418 2.534 20 5 FFBDLO C[C@H]1C[NH+](C(C)(C)CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000804338980 740861712 /nfs/dbraw/zinc/86/17/12/740861712.db2.gz LFJYOXIEYIWIHS-RYUDHWBXSA-N 1 2 352.391 2.803 20 5 FFBDLO O=C(NC1CC1)OC[C@@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000810037233 741374793 /nfs/dbraw/zinc/37/47/93/741374793.db2.gz IEDQVCFLVSAEHX-ZDUSSCGKSA-N 1 2 351.378 2.977 20 5 FFBDLO O=C(NC1CC1)OC[C@@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000810037233 741374797 /nfs/dbraw/zinc/37/47/97/741374797.db2.gz IEDQVCFLVSAEHX-ZDUSSCGKSA-N 1 2 351.378 2.977 20 5 FFBDLO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2ccc(F)c(Cl)c2)CC1 ZINC001045436987 743274185 /nfs/dbraw/zinc/27/41/85/743274185.db2.gz ZVZHFGDYBNTRLZ-IUODEOHRSA-N 1 2 369.824 2.615 20 5 FFBDLO O=C(OCCCOCC(F)F)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835381971 746005776 /nfs/dbraw/zinc/00/57/76/746005776.db2.gz FXZHTOCSAKDROE-UHFFFAOYSA-N 1 2 355.297 2.609 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844437280 748030295 /nfs/dbraw/zinc/03/02/95/748030295.db2.gz JKXHDMYXLKKCHD-HNNXBMFYSA-N 1 2 355.341 2.663 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844437280 748030304 /nfs/dbraw/zinc/03/03/04/748030304.db2.gz JKXHDMYXLKKCHD-HNNXBMFYSA-N 1 2 355.341 2.663 20 5 FFBDLO C[C@H]([C@H](OC(=O)C[N@H+](C)[C@H]1CCSC1)c1ccccc1F)[N+](=O)[O-] ZINC000845875555 748342299 /nfs/dbraw/zinc/34/22/99/748342299.db2.gz LQAYOUWIPYLYEG-WQGACYEGSA-N 1 2 356.419 2.513 20 5 FFBDLO C[C@H]([C@H](OC(=O)C[N@@H+](C)[C@H]1CCSC1)c1ccccc1F)[N+](=O)[O-] ZINC000845875555 748342310 /nfs/dbraw/zinc/34/23/10/748342310.db2.gz LQAYOUWIPYLYEG-WQGACYEGSA-N 1 2 356.419 2.513 20 5 FFBDLO Cc1nc(N2CCN(c3c4cc(F)ccc4ncc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000893171532 970819632 /nfs/dbraw/zinc/81/96/32/970819632.db2.gz GUWSYMUMJHBPHA-UHFFFAOYSA-N 1 2 368.372 2.707 20 5 FFBDLO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](c2ncccn2)C2CC2)cccc1[N+](=O)[O-] ZINC001176346929 1013679666 /nfs/dbraw/zinc/67/96/66/1013679666.db2.gz UKXHRHTZVOZKDU-MLGOLLRUSA-N 1 2 355.398 2.761 20 5 FFBDLO C[C@@H](CNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1[N+](=O)[O-] ZINC000897070324 973220862 /nfs/dbraw/zinc/22/08/62/973220862.db2.gz DJTSSNDQUMFWLP-LSDHHAIUSA-N 1 2 357.414 2.942 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066871557 973953085 /nfs/dbraw/zinc/95/30/85/973953085.db2.gz PETJLVMOBKRYMJ-UHFFFAOYSA-N 1 2 372.406 2.567 20 5 FFBDLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000066941350 975470449 /nfs/dbraw/zinc/47/04/49/975470449.db2.gz QGZDYUKJWVVHIS-UHFFFAOYSA-N 1 2 362.349 2.587 20 5 FFBDLO O=c1oc2ccc(C[NH+]3CCN(c4ccccc4[N+](=O)[O-])CC3)cc2o1 ZINC000893882121 977581385 /nfs/dbraw/zinc/58/13/85/977581385.db2.gz JOCAPYMWBVVSSJ-UHFFFAOYSA-N 1 2 355.350 2.616 20 5 FFBDLO CC[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000054531733 982203989 /nfs/dbraw/zinc/20/39/89/982203989.db2.gz CCQGBWQPOSMEOP-INIZCTEOSA-N 1 2 360.458 2.508 20 5 FFBDLO O=[N+]([O-])c1ccc(NCc2cccc(Cn3cc[nH+]c3)c2)c2nonc21 ZINC000915214005 988300809 /nfs/dbraw/zinc/30/08/09/988300809.db2.gz ZJSQTGOBWOUORH-UHFFFAOYSA-N 1 2 350.338 2.988 20 5 FFBDLO CO[C@@H]1C[C@@H]2C[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])Cc3cccnc3N2C1 ZINC000879267993 1015446738 /nfs/dbraw/zinc/44/67/38/1015446738.db2.gz BCTQIRCLDLLBGS-IAGOWNOFSA-N 1 2 372.400 2.738 20 5 FFBDLO CO[C@@H]1C[C@@H]2C[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])Cc3cccnc3N2C1 ZINC000879267993 1015446744 /nfs/dbraw/zinc/44/67/44/1015446744.db2.gz BCTQIRCLDLLBGS-IAGOWNOFSA-N 1 2 372.400 2.738 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001132815999 995148693 /nfs/dbraw/zinc/14/86/93/995148693.db2.gz ZEQWJJWBEJWGNC-QGZVFWFLSA-N 1 2 366.377 2.971 20 5 FFBDLO CC1(C)C[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1[C@@H]1CCCO1 ZINC000811777721 995240066 /nfs/dbraw/zinc/24/00/66/995240066.db2.gz JNONVFKLAFMGBM-JKSUJKDBSA-N 1 2 357.414 2.700 20 5 FFBDLO CC1(C)C[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1[C@@H]1CCCO1 ZINC000811777721 995240075 /nfs/dbraw/zinc/24/00/75/995240075.db2.gz JNONVFKLAFMGBM-JKSUJKDBSA-N 1 2 357.414 2.700 20 5 FFBDLO CC1(C)C[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1[C@H]1CCCO1 ZINC000811777718 995240144 /nfs/dbraw/zinc/24/01/44/995240144.db2.gz JNONVFKLAFMGBM-CVEARBPZSA-N 1 2 357.414 2.700 20 5 FFBDLO CC1(C)C[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1[C@H]1CCCO1 ZINC000811777718 995240152 /nfs/dbraw/zinc/24/01/52/995240152.db2.gz JNONVFKLAFMGBM-CVEARBPZSA-N 1 2 357.414 2.700 20 5 FFBDLO CN(CC[NH+]1CCOCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1C(C)(C)C ZINC000880706570 1015949998 /nfs/dbraw/zinc/94/99/98/1015949998.db2.gz LWDMXZGLJCYYSL-UHFFFAOYSA-N 1 2 364.446 2.688 20 5 FFBDLO COc1ccc(CC(N)=[NH+]OCc2ccc([N+](=O)[O-])cc2F)cc1OC ZINC000747831149 995595234 /nfs/dbraw/zinc/59/52/34/995595234.db2.gz CCNDJNFSZPGTPQ-UHFFFAOYSA-N 1 2 363.345 2.992 20 5 FFBDLO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccn(C(F)F)n1 ZINC000813172858 995633136 /nfs/dbraw/zinc/63/31/36/995633136.db2.gz RMCFXWOQKHVTNT-ZDUSSCGKSA-N 1 2 366.324 2.618 20 5 FFBDLO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccn(C(F)F)n1 ZINC000813172858 995633142 /nfs/dbraw/zinc/63/31/42/995633142.db2.gz RMCFXWOQKHVTNT-ZDUSSCGKSA-N 1 2 366.324 2.618 20 5 FFBDLO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000813173260 995634737 /nfs/dbraw/zinc/63/47/37/995634737.db2.gz WVXBDGLCGQBKBO-KRWDZBQOSA-N 1 2 371.349 2.934 20 5 FFBDLO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000813173260 995634742 /nfs/dbraw/zinc/63/47/42/995634742.db2.gz WVXBDGLCGQBKBO-KRWDZBQOSA-N 1 2 371.349 2.934 20 5 FFBDLO Cc1c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n[nH]c1C1CC1 ZINC000728070844 996124998 /nfs/dbraw/zinc/12/49/98/996124998.db2.gz JYOHJENAIHLPHB-UHFFFAOYSA-N 1 2 352.354 2.942 20 5 FFBDLO Cc1cn(C[N@@H+](C)CCCOC(C)C)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000740859115 999687112 /nfs/dbraw/zinc/68/71/12/999687112.db2.gz NVGGNJRZRGHMHD-UHFFFAOYSA-N 1 2 362.430 2.560 20 5 FFBDLO Cc1cn(C[N@H+](C)CCCOC(C)C)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000740859115 999687114 /nfs/dbraw/zinc/68/71/14/999687114.db2.gz NVGGNJRZRGHMHD-UHFFFAOYSA-N 1 2 362.430 2.560 20 5 FFBDLO O=C(Oc1ccc2c(c1)OCCO2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000766691937 1000047221 /nfs/dbraw/zinc/04/72/21/1000047221.db2.gz SUKIQLVXAVUNLQ-UHFFFAOYSA-N 1 2 367.317 2.771 20 5 FFBDLO C[NH+](C)CCN(CCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000772239669 1001341426 /nfs/dbraw/zinc/34/14/26/1001341426.db2.gz DPLUXPQERNHYLI-UHFFFAOYSA-N 1 2 357.410 2.547 20 5 FFBDLO CC(C)(NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000786325364 1001577719 /nfs/dbraw/zinc/57/77/19/1001577719.db2.gz MJWFFQIPUWBGSB-UHFFFAOYSA-N 1 2 358.398 2.716 20 5 FFBDLO COc1c(O)ccc(C[NH2+][C@@H](c2ccccc2F)[C@@H](C)O)c1[N+](=O)[O-] ZINC001182703114 1002018898 /nfs/dbraw/zinc/01/88/98/1002018898.db2.gz GXEAJEYESDCXDG-MEBBXXQBSA-N 1 2 350.346 2.660 20 5 FFBDLO COc1cc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc([N+](=O)[O-])c1C ZINC000790489271 1002392093 /nfs/dbraw/zinc/39/20/93/1002392093.db2.gz QPUVTPDUPNNPRQ-INIZCTEOSA-N 1 2 360.414 2.953 20 5 FFBDLO COc1ccc(C[C@@H](C)[NH+]2CC(N3CCC(F)(F)C3)C2)c([N+](=O)[O-])c1 ZINC001170348153 1003134072 /nfs/dbraw/zinc/13/40/72/1003134072.db2.gz VJEHSNGGKLZRFR-GFCCVEGCSA-N 1 2 355.385 2.560 20 5 FFBDLO COc1ccc(C[C@@H](C)[N@@H+]2CCn3c(nnc3C3CC3)C2)c([N+](=O)[O-])c1 ZINC001170348522 1003134234 /nfs/dbraw/zinc/13/42/34/1003134234.db2.gz YBMZNQCRHOAYQZ-GFCCVEGCSA-N 1 2 357.414 2.519 20 5 FFBDLO COc1ccc(C[C@@H](C)[N@H+]2CCn3c(nnc3C3CC3)C2)c([N+](=O)[O-])c1 ZINC001170348522 1003134238 /nfs/dbraw/zinc/13/42/38/1003134238.db2.gz YBMZNQCRHOAYQZ-GFCCVEGCSA-N 1 2 357.414 2.519 20 5 FFBDLO COc1ccnc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000105543919 1005116546 /nfs/dbraw/zinc/11/65/46/1005116546.db2.gz CIFMXHKMFOKFNN-UHFFFAOYSA-N 1 2 354.322 2.541 20 5 FFBDLO O=C(N1CCC(n2cc[nH+]c2)CC1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848582510 1005513654 /nfs/dbraw/zinc/51/36/54/1005513654.db2.gz MYAXBXBTLGUFDT-UHFFFAOYSA-N 1 2 366.324 2.627 20 5 FFBDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776585650 1005976590 /nfs/dbraw/zinc/97/65/90/1005976590.db2.gz YVBBFBZSIKDOPQ-RTBURBONSA-N 1 2 372.421 2.734 20 5 FFBDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776585650 1005976591 /nfs/dbraw/zinc/97/65/91/1005976591.db2.gz YVBBFBZSIKDOPQ-RTBURBONSA-N 1 2 372.421 2.734 20 5 FFBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1Cc2cc(F)c(F)cc2C1=O ZINC000853511940 1006420705 /nfs/dbraw/zinc/42/07/05/1006420705.db2.gz WNRAQVWTEQDMTN-UHFFFAOYSA-N 1 2 361.348 2.961 20 5 FFBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1Cc2cc(F)c(F)cc2C1=O ZINC000853511940 1006420707 /nfs/dbraw/zinc/42/07/07/1006420707.db2.gz WNRAQVWTEQDMTN-UHFFFAOYSA-N 1 2 361.348 2.961 20 5 FFBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000853570553 1006450179 /nfs/dbraw/zinc/45/01/79/1006450179.db2.gz GOTSJEYHYNLBOE-OAHLLOKOSA-N 1 2 361.398 2.741 20 5 FFBDLO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000026937834 1006684849 /nfs/dbraw/zinc/68/48/49/1006684849.db2.gz MTFIOYULRQUTGY-KRWDZBQOSA-N 1 2 370.365 2.632 20 5 FFBDLO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000026937834 1006684859 /nfs/dbraw/zinc/68/48/59/1006684859.db2.gz MTFIOYULRQUTGY-KRWDZBQOSA-N 1 2 370.365 2.632 20 5 FFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2nnc(-c3cnn(C)c3)cc2C1 ZINC000854126917 1006692983 /nfs/dbraw/zinc/69/29/83/1006692983.db2.gz HPGOOKJVKQHHBU-CYBMUJFWSA-N 1 2 364.409 2.905 20 5 FFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCc2nnc(-c3cnn(C)c3)cc2C1 ZINC000854126917 1006692993 /nfs/dbraw/zinc/69/29/93/1006692993.db2.gz HPGOOKJVKQHHBU-CYBMUJFWSA-N 1 2 364.409 2.905 20 5 FFBDLO COc1ccc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)c(F)c1OC ZINC000886174919 1008599223 /nfs/dbraw/zinc/59/92/23/1008599223.db2.gz MHFWMIRQUSUNSS-GOSISDBHSA-N 1 2 364.373 2.748 20 5 FFBDLO O=C(NC1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1)OCc1ccccc1 ZINC000886310748 1008632541 /nfs/dbraw/zinc/63/25/41/1008632541.db2.gz UOIYPUNMZSVSIQ-UHFFFAOYSA-N 1 2 370.409 2.881 20 5 FFBDLO Nc1ccc2n(C(=O)[C@@H]3CCc4[nH+]ccn4C3)c3ccccc3cc-2c1=O ZINC001178117672 1008864678 /nfs/dbraw/zinc/86/46/78/1008864678.db2.gz DGYGXOCYQNFITD-CQSZACIVSA-N 1 2 358.401 2.788 20 5 FFBDLO O=[N+]([O-])c1ccnn1C[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000863270186 1010152174 /nfs/dbraw/zinc/15/21/74/1010152174.db2.gz BXAKFZRQUOHGQX-UHFFFAOYSA-N 1 2 360.418 2.744 20 5 FFBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000120273824 1010604141 /nfs/dbraw/zinc/60/41/41/1010604141.db2.gz KOWZEPIJWNJLPY-CQSZACIVSA-N 1 2 351.362 2.638 20 5 FFBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000120273824 1010604149 /nfs/dbraw/zinc/60/41/49/1010604149.db2.gz KOWZEPIJWNJLPY-CQSZACIVSA-N 1 2 351.362 2.638 20 5 FFBDLO Cc1ccc(NCC[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)nc1 ZINC000927070641 1018345485 /nfs/dbraw/zinc/34/54/85/1018345485.db2.gz JMAGAJAVBMAXTN-GOSISDBHSA-N 1 2 366.425 2.823 20 5 FFBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3noc4c3COCC4)CC2)cc1 ZINC000929747565 1019625774 /nfs/dbraw/zinc/62/57/74/1019625774.db2.gz DGRMFIFHJTYZHQ-UHFFFAOYSA-N 1 2 359.382 2.699 20 5 FFBDLO O=C(O[C@H]1CC[N@H+](CCF)C1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 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1 2 374.828 2.924 20 5 FFBDLO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000756995464 1023777339 /nfs/dbraw/zinc/77/73/39/1023777339.db2.gz DTZDKEKILRTHJW-KRWDZBQOSA-N 1 2 374.828 2.924 20 5 FFBDLO O=C(NCc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001124934091 1024394937 /nfs/dbraw/zinc/39/49/37/1024394937.db2.gz LHNSCRPQEBAKFW-UHFFFAOYSA-N 1 2 358.304 2.989 20 5 FFBDLO CC(C)c1nc(COC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)no1 ZINC000838102651 1026210699 /nfs/dbraw/zinc/21/06/99/1026210699.db2.gz WAMZGKPTWPLCLW-UHFFFAOYSA-N 1 2 357.326 2.644 20 5 FFBDLO O=C(Nc1cccnc1NCCCn1cc[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC001161681391 1028280933 /nfs/dbraw/zinc/28/09/33/1028280933.db2.gz VTUXJJCUKREMHW-UHFFFAOYSA-N 1 2 366.381 2.941 20 5 FFBDLO O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)c1c[nH]nc1[N+](=O)[O-] ZINC001156049754 1029028237 /nfs/dbraw/zinc/02/82/37/1029028237.db2.gz MQLCMIPUJVYYRU-UHFFFAOYSA-N 1 2 352.354 2.770 20 5 FFBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c2cccnc2O1 ZINC001534464073 1069652846 /nfs/dbraw/zinc/65/28/46/1069652846.db2.gz BLBNOZSXGYPRHH-GFCCVEGCSA-N 1 2 365.349 2.603 20 5 FFBDLO C[C@H]1C[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC2(CCCC2)O1 ZINC000842644370 1030871065 /nfs/dbraw/zinc/87/10/65/1030871065.db2.gz FGSNOPGUCMEPQI-AWEZNQCLSA-N 1 2 357.414 2.844 20 5 FFBDLO C[C@H]1C[N@@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC2(CCCC2)O1 ZINC000842644370 1030871086 /nfs/dbraw/zinc/87/10/86/1030871086.db2.gz FGSNOPGUCMEPQI-AWEZNQCLSA-N 1 2 357.414 2.844 20 5 FFBDLO Cc1nn(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000797416980 1031103443 /nfs/dbraw/zinc/10/34/43/1031103443.db2.gz LRRUGANIOMQGFT-BIENJYKASA-N 1 2 374.441 2.869 20 5 FFBDLO Cc1nn(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000797416980 1031103452 /nfs/dbraw/zinc/10/34/52/1031103452.db2.gz LRRUGANIOMQGFT-BIENJYKASA-N 1 2 374.441 2.869 20 5 FFBDLO C[C@@H]1C[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@]2(CCO[C@H](C)C2)O1 ZINC000797418103 1031105581 /nfs/dbraw/zinc/10/55/81/1031105581.db2.gz QYYAJTDNRVIYLS-HBUWYVDXSA-N 1 2 360.414 2.560 20 5 FFBDLO C[C@@H]1C[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@]2(CCO[C@H](C)C2)O1 ZINC000797418103 1031105591 /nfs/dbraw/zinc/10/55/91/1031105591.db2.gz QYYAJTDNRVIYLS-HBUWYVDXSA-N 1 2 360.414 2.560 20 5 FFBDLO COC(=O)[C@@H]1C[C@@H](Oc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C[N@@H+]1C ZINC001225974275 1034474609 /nfs/dbraw/zinc/47/46/09/1034474609.db2.gz WRWCFGBFSVBPKS-MSOLQXFVSA-N 1 2 356.378 2.886 20 5 FFBDLO COC(=O)[C@@H]1C[C@@H](Oc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C[N@H+]1C ZINC001225974275 1034474613 /nfs/dbraw/zinc/47/46/13/1034474613.db2.gz WRWCFGBFSVBPKS-MSOLQXFVSA-N 1 2 356.378 2.886 20 5 FFBDLO CCc1onc(C)c1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001536235519 1069939903 /nfs/dbraw/zinc/93/99/03/1069939903.db2.gz KLSFWZLCGJXOOD-UHFFFAOYSA-N 1 2 355.354 2.569 20 5 FFBDLO CCCSc1nc(OC2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229791819 1036899812 /nfs/dbraw/zinc/89/98/12/1036899812.db2.gz NLIAAHWIJIPNDY-UHFFFAOYSA-N 1 2 356.448 2.844 20 5 FFBDLO O=c1c2c(O)ccc(O)c2oc2cc(O)cc(O[C@@H]3C[NH+]4CCC3CC4)c21 ZINC001234124452 1036927134 /nfs/dbraw/zinc/92/71/34/1036927134.db2.gz ITAHRQJSMLJWRV-MRXNPFEDSA-N 1 2 369.373 2.536 20 5 FFBDLO C[N@@H+]1CCC[C@@H](Oc2cc(O)cc3oc4c(O)ccc(O)c4c(=O)c23)C1 ZINC001234124268 1036929098 /nfs/dbraw/zinc/92/90/98/1036929098.db2.gz HCQVECAORJYPNR-LLVKDONJSA-N 1 2 357.362 2.536 20 5 FFBDLO C[N@H+]1CCC[C@@H](Oc2cc(O)cc3oc4c(O)ccc(O)c4c(=O)c23)C1 ZINC001234124268 1036929118 /nfs/dbraw/zinc/92/91/18/1036929118.db2.gz HCQVECAORJYPNR-LLVKDONJSA-N 1 2 357.362 2.536 20 5 FFBDLO O=[N+]([O-])C[C@@H](Oc1ccc(-n2cc[nH+]c2)cc1)c1ccc2c(c1)OCO2 ZINC001229954208 1036998105 /nfs/dbraw/zinc/99/81/05/1036998105.db2.gz LJXVQYHCYGTQNO-GOSISDBHSA-N 1 2 353.334 2.998 20 5 FFBDLO CCC[N@@H+]1CCO[C@@H]2c3cc(O[C@H](C[N+](=O)[O-])C4CC4)ccc3OC[C@H]21 ZINC001230427372 1037277175 /nfs/dbraw/zinc/27/71/75/1037277175.db2.gz NXSNPTIGWNJWAU-BHIYHBOVSA-N 1 2 362.426 2.665 20 5 FFBDLO CCC[N@H+]1CCO[C@@H]2c3cc(O[C@H](C[N+](=O)[O-])C4CC4)ccc3OC[C@H]21 ZINC001230427372 1037277192 /nfs/dbraw/zinc/27/71/92/1037277192.db2.gz NXSNPTIGWNJWAU-BHIYHBOVSA-N 1 2 362.426 2.665 20 5 FFBDLO C[C@H](CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1[N+](=O)[O-] ZINC001230553656 1037306743 /nfs/dbraw/zinc/30/67/43/1037306743.db2.gz JXZMMSPNLGMFCH-HUUCEWRRSA-N 1 2 369.425 2.671 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[C@@H]([NH+]3CCCC3)C(F)(F)C1)C2 ZINC001254611693 1040839637 /nfs/dbraw/zinc/83/96/37/1040839637.db2.gz RNCZVGRZHLIZNA-DLBZAZTESA-N 1 2 351.397 2.867 20 5 FFBDLO O=[N+]([O-])c1cc(F)cc(Nc2ccc(N3CC[NH+](C4COC4)CC3)cc2)c1 ZINC001216484687 1042039233 /nfs/dbraw/zinc/03/92/33/1042039233.db2.gz LZWMUBWQPQYLMI-UHFFFAOYSA-N 1 2 372.400 2.998 20 5 FFBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[NH+](Cc2ccc(C3CCCC3)cc2)CC1 ZINC001313444595 1044364116 /nfs/dbraw/zinc/36/41/16/1044364116.db2.gz FPQRMQIWONZUED-RTBURBONSA-N 1 2 357.454 2.654 20 5 FFBDLO C[C@H](Cc1ccncc1)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001539552722 1070658580 /nfs/dbraw/zinc/65/85/80/1070658580.db2.gz IIPSDXRIFJCOQU-CYBMUJFWSA-N 1 2 351.366 2.537 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)c2ncnc(N3CCN(c4cccc[nH+]4)CC3)c2c1 ZINC001327270950 1047270626 /nfs/dbraw/zinc/27/06/26/1047270626.db2.gz YADXBOHHXYLUHI-UHFFFAOYSA-N 1 2 370.800 2.913 20 5 FFBDLO COC(=O)c1cc(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)cc([N+](=O)[O-])c1 ZINC001293928912 1049654776 /nfs/dbraw/zinc/65/47/76/1049654776.db2.gz SZCOAKDSBVXKOQ-OAHLLOKOSA-N 1 2 360.370 2.804 20 5 FFBDLO Cc1cccn2cc(CCNC(=O)c3cc([N+](=O)[O-])c(F)cc3C)[nH+]c12 ZINC001294275388 1049723949 /nfs/dbraw/zinc/72/39/49/1049723949.db2.gz XWWYFXCSJCBLLF-UHFFFAOYSA-N 1 2 356.357 2.971 20 5 FFBDLO Cc1nc2c(c(N3CC[NH+](Cc4cccc([N+](=O)[O-])c4)CC3)n1)CCCC2 ZINC001342118807 1050713261 /nfs/dbraw/zinc/71/32/61/1050713261.db2.gz NOPYZZVFCXASRZ-UHFFFAOYSA-N 1 2 367.453 2.894 20 5 FFBDLO Cc1nc(N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c2c([nH+]1)CCCC2 ZINC001342118807 1050713278 /nfs/dbraw/zinc/71/32/78/1050713278.db2.gz NOPYZZVFCXASRZ-UHFFFAOYSA-N 1 2 367.453 2.894 20 5 FFBDLO C[C@H](NC(=O)N1CCC(c2c[nH+]cn2C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001342123836 1050717764 /nfs/dbraw/zinc/71/77/64/1050717764.db2.gz HZHNEKVPSHNSKR-ZDUSSCGKSA-N 1 2 357.414 2.979 20 5 FFBDLO COc1c(O)ccc(C[NH+]2CCN(c3ccc(C)cc3)CC2)c1[N+](=O)[O-] ZINC001308634957 1052480277 /nfs/dbraw/zinc/48/02/77/1052480277.db2.gz KUCTUIRNYUNZHL-UHFFFAOYSA-N 1 2 357.410 2.940 20 5 FFBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC001336039761 1053726685 /nfs/dbraw/zinc/72/66/85/1053726685.db2.gz QVTDQPMIWMJULU-QGZVFWFLSA-N 1 2 372.400 2.587 20 5 FFBDLO O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001348449759 1054703254 /nfs/dbraw/zinc/70/32/54/1054703254.db2.gz YTVRRVLXHCRDFF-UHFFFAOYSA-N 1 2 353.294 2.941 20 5 FFBDLO Cc1c[nH+]c2cc(C(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCCO4)ccn12 ZINC001351605932 1054917985 /nfs/dbraw/zinc/91/79/85/1054917985.db2.gz RLSUABFKOPZPLG-UHFFFAOYSA-N 1 2 368.349 2.965 20 5 FFBDLO CC[C@@H](O)[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001300092455 1055735619 /nfs/dbraw/zinc/73/56/19/1055735619.db2.gz NTFUPSKYRPQBKU-DOTOQJQBSA-N 1 2 358.398 2.546 20 5 FFBDLO O=C(N1CCC(Cc2c[nH]c[nH+]2)CC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001350826490 1055957987 /nfs/dbraw/zinc/95/79/87/1055957987.db2.gz IXSWDIAKKOJBOI-UHFFFAOYSA-N 1 2 364.352 2.891 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2C[C@@]2(F)c2ccccc2)cc1 ZINC001353309628 1056284768 /nfs/dbraw/zinc/28/47/68/1056284768.db2.gz HCLOLOARYNYWTK-DLBZAZTESA-N 1 2 364.398 2.595 20 5 FFBDLO CCC(CC)[C@H](C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)[NH+]1CCOCC1 ZINC001339546209 1056568399 /nfs/dbraw/zinc/56/83/99/1056568399.db2.gz RRKVFCRVHKKIFO-GOSISDBHSA-N 1 2 361.442 2.574 20 5 FFBDLO Cc1cc(NCCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)nc(C(C)C)[nH+]1 ZINC000600368334 1060316213 /nfs/dbraw/zinc/31/62/13/1060316213.db2.gz VYOPZSOZBAACFF-UHFFFAOYSA-N 1 2 357.414 2.967 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000600366036 1060317800 /nfs/dbraw/zinc/31/78/00/1060317800.db2.gz LTXKBYRXZHCDCY-UHFFFAOYSA-N 1 2 373.413 2.667 20 5 FFBDLO COC(=O)c1cc(C)nc(N2CCC[C@@H]2c2[nH]c(C)c(C)[nH+]2)c1[N+](=O)[O-] ZINC001458599589 1060632157 /nfs/dbraw/zinc/63/21/57/1060632157.db2.gz XBWCPFMSZDFWKT-CYBMUJFWSA-N 1 2 359.386 2.766 20 5 FFBDLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNc3nc(C)ccc3[N+](=O)[O-])C2)cc1 ZINC001458610304 1060634862 /nfs/dbraw/zinc/63/48/62/1060634862.db2.gz SDCASVIXMBSFOM-KRWDZBQOSA-N 1 2 356.426 2.920 20 5 FFBDLO Cc1ccc(C[N@H+]2CCO[C@@H](CNc3nc(C)ccc3[N+](=O)[O-])C2)cc1 ZINC001458610304 1060634868 /nfs/dbraw/zinc/63/48/68/1060634868.db2.gz SDCASVIXMBSFOM-KRWDZBQOSA-N 1 2 356.426 2.920 20 5 FFBDLO Cc1cnc(CCNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c(C)c1 ZINC001526871068 1061308336 /nfs/dbraw/zinc/30/83/36/1061308336.db2.gz JFFPKEWJNDJJPP-UHFFFAOYSA-N 1 2 365.393 2.765 20 5 FFBDLO C[C@@H](CNC(=O)NCc1ccn2cc[nH+]c2c1)c1ccccc1[N+](=O)[O-] ZINC001478182662 1061934565 /nfs/dbraw/zinc/93/45/65/1061934565.db2.gz FNYHZBSGTNFBBL-ZDUSSCGKSA-N 1 2 353.382 2.845 20 5 FFBDLO Cc1cc(NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)cc[nH+]1 ZINC001465144599 1062985681 /nfs/dbraw/zinc/98/56/81/1062985681.db2.gz BMCMZZLWBBXMCU-UHFFFAOYSA-N 1 2 350.172 2.664 20 5 FFBDLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001469327358 1064128686 /nfs/dbraw/zinc/12/86/86/1064128686.db2.gz XODSJWDFSYLCCU-GFCCVEGCSA-N 1 2 369.406 2.660 20 5 FFBDLO C[N@H+](CCOc1ccccc1)Cc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001471881735 1064834877 /nfs/dbraw/zinc/83/48/77/1064834877.db2.gz PKQQBCUEBGYDDO-RTBURBONSA-N 1 2 369.421 2.801 20 5 FFBDLO C[N@@H+](CCOc1ccccc1)Cc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001471881735 1064834886 /nfs/dbraw/zinc/83/48/86/1064834886.db2.gz PKQQBCUEBGYDDO-RTBURBONSA-N 1 2 369.421 2.801 20 5 FFBDLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC001472406614 1065048926 /nfs/dbraw/zinc/04/89/26/1065048926.db2.gz UQESWOHCHSQNDX-GFCCVEGCSA-N 1 2 372.429 2.543 20 5 FFBDLO O=[N+]([O-])c1ccccc1-c1nnc(C[NH2+][C@@H](CCO)c2ccccc2)o1 ZINC001473326758 1065242741 /nfs/dbraw/zinc/24/27/41/1065242741.db2.gz MQCUDGOAICVJHF-HNNXBMFYSA-N 1 2 354.366 2.858 20 5 FFBDLO O=C(OC[C@H]1CCCC[N@H+]1Cc1cccnc1[N+](=O)[O-])N1CCCCC1 ZINC001473450212 1065265411 /nfs/dbraw/zinc/26/54/11/1065265411.db2.gz WBXPMZBPKJPIIE-MRXNPFEDSA-N 1 2 362.430 2.967 20 5 FFBDLO O=C(OC[C@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-])N1CCCCC1 ZINC001473450212 1065265418 /nfs/dbraw/zinc/26/54/18/1065265418.db2.gz WBXPMZBPKJPIIE-MRXNPFEDSA-N 1 2 362.430 2.967 20 5 FFBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](c3ncccn3)C2)cccc1[N+](=O)[O-] ZINC001473831862 1065380797 /nfs/dbraw/zinc/38/07/97/1065380797.db2.gz DUCCRUZNRZBDSO-KBPBESRZSA-N 1 2 355.398 2.510 20 5 FFBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H](c3ncccn3)C2)cccc1[N+](=O)[O-] ZINC001473831862 1065380809 /nfs/dbraw/zinc/38/08/09/1065380809.db2.gz DUCCRUZNRZBDSO-KBPBESRZSA-N 1 2 355.398 2.510 20 5 FFBDLO COC(=O)c1ccc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c(F)c1 ZINC001560066558 1076220722 /nfs/dbraw/zinc/22/07/22/1076220722.db2.gz YXASIWSRUDYBIW-SFHVURJKSA-N 1 2 362.357 2.518 20 5 FFBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC=C[C@H]2CO)cc1OC ZINC001560098924 1076226187 /nfs/dbraw/zinc/22/61/87/1076226187.db2.gz WNNGWEAWYFSVLU-HIFRSBDPSA-N 1 2 350.415 2.761 20 5 FFBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC=C[C@H]2CO)cc1OC ZINC001560098924 1076226191 /nfs/dbraw/zinc/22/61/91/1076226191.db2.gz WNNGWEAWYFSVLU-HIFRSBDPSA-N 1 2 350.415 2.761 20 5 FFBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001560234029 1076253700 /nfs/dbraw/zinc/25/37/00/1076253700.db2.gz SDBXMPJMTXQUFS-FOLVSLTJSA-N 1 2 363.414 2.598 20 5 FFBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001560234029 1076253706 /nfs/dbraw/zinc/25/37/06/1076253706.db2.gz SDBXMPJMTXQUFS-FOLVSLTJSA-N 1 2 363.414 2.598 20 5 FFBDLO CC(C)(C)[C@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCO1 ZINC001560236284 1076253819 /nfs/dbraw/zinc/25/38/19/1076253819.db2.gz JQZCIFPJYPDTBV-QGZVFWFLSA-N 1 2 361.442 2.621 20 5 FFBDLO CC(C)(C)[C@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCO1 ZINC001560236284 1076253824 /nfs/dbraw/zinc/25/38/24/1076253824.db2.gz JQZCIFPJYPDTBV-QGZVFWFLSA-N 1 2 361.442 2.621 20 5 FFBDLO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1c(CO)cnc(C)c1O ZINC001561017325 1076320433 /nfs/dbraw/zinc/32/04/33/1076320433.db2.gz VSYLSVHXKFFCQA-UHFFFAOYSA-N 1 2 372.381 2.659 20 5 FFBDLO CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1c(CO)cnc(C)c1O ZINC001561017325 1076320437 /nfs/dbraw/zinc/32/04/37/1076320437.db2.gz VSYLSVHXKFFCQA-UHFFFAOYSA-N 1 2 372.381 2.659 20 5 FFBDLO O=C(Nc1cc(CC2CC2)[nH]n1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001587902345 1079889076 /nfs/dbraw/zinc/88/90/76/1079889076.db2.gz PRMNMLPLHRDYLV-UHFFFAOYSA-N 1 2 352.354 2.708 20 5 FFBDLO CC[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000030911303 249358926 /nfs/dbraw/zinc/35/89/26/249358926.db2.gz IDERVVZYJJGMHZ-MRXNPFEDSA-N 1 2 360.458 2.508 20 5 FFBDLO Cc1cccc([C@H](CNC(=O)c2ccccc2[N+](=O)[O-])[NH+]2CCOCC2)c1 ZINC000029420282 249348628 /nfs/dbraw/zinc/34/86/28/249348628.db2.gz LZPUCDCTCUUWIO-IBGZPJMESA-N 1 2 369.421 2.707 20 5 FFBDLO COc1cc(C[NH2+]Cc2nccs2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272421149 252035266 /nfs/dbraw/zinc/03/52/66/252035266.db2.gz LYTSGBJLTVWUML-UHFFFAOYSA-N 1 2 359.354 2.994 20 5 FFBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000279239372 256396361 /nfs/dbraw/zinc/39/63/61/256396361.db2.gz FVDVWYXOOXFUDE-LBPRGKRZSA-N 1 2 363.439 2.602 20 5 FFBDLO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000286508876 257040527 /nfs/dbraw/zinc/04/05/27/257040527.db2.gz JBDHFIZGAWLIHN-UHFFFAOYSA-N 1 2 367.409 2.669 20 5 FFBDLO Cc1cc(NC[C@H]2CCCN(C(N)=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000288588175 257209132 /nfs/dbraw/zinc/20/91/32/257209132.db2.gz SCGZJGIHMFUOFP-CYBMUJFWSA-N 1 2 370.413 2.563 20 5 FFBDLO Cc1cc([N+](=O)[O-])cnc1NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000301196300 258033277 /nfs/dbraw/zinc/03/32/77/258033277.db2.gz ODVKSUSAHDKVQV-OKILXGFUSA-N 1 2 357.414 2.919 20 5 FFBDLO CNc1ccc(Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])c[nH+]1 ZINC000301284856 258040218 /nfs/dbraw/zinc/04/02/18/258040218.db2.gz VBRJEGHVIAOOOA-UHFFFAOYSA-N 1 2 352.354 2.740 20 5 FFBDLO COc1cccc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC000302240971 258098089 /nfs/dbraw/zinc/09/80/89/258098089.db2.gz NOQJFKMZKMVSIK-MRXNPFEDSA-N 1 2 357.410 2.916 20 5 FFBDLO COc1cccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC000302240971 258098091 /nfs/dbraw/zinc/09/80/91/258098091.db2.gz NOQJFKMZKMVSIK-MRXNPFEDSA-N 1 2 357.410 2.916 20 5 FFBDLO Cc1cc(N2CCN(CC(C)C)C(=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302396654 258100513 /nfs/dbraw/zinc/10/05/13/258100513.db2.gz JERWYEUUWGPFFW-UHFFFAOYSA-N 1 2 369.425 2.665 20 5 FFBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cccc(-n2cc[nH+]c2)c1 ZINC000302604152 258106507 /nfs/dbraw/zinc/10/65/07/258106507.db2.gz CUBNHJQOYBCBTQ-UHFFFAOYSA-N 1 2 359.363 2.976 20 5 FFBDLO COc1cc2nc(NCCc3ccccc3[N+](=O)[O-])[nH+]c(N)c2cc1OC ZINC000301428848 258049033 /nfs/dbraw/zinc/04/90/33/258049033.db2.gz FKJMTKXKHLRNQJ-UHFFFAOYSA-N 1 2 369.381 2.792 20 5 FFBDLO O=[N+]([O-])c1cnc2ccc(NCc3ccc(-n4cc[nH+]c4)c(F)c3)nn21 ZINC000302011271 258081928 /nfs/dbraw/zinc/08/19/28/258081928.db2.gz WMSUSFWONVFETG-UHFFFAOYSA-N 1 2 353.317 2.574 20 5 FFBDLO O=C1[C@@H]([N@H+]2CC=C(C(F)(F)F)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000331641778 258194624 /nfs/dbraw/zinc/19/46/24/258194624.db2.gz JPAPAIUNNOVBFN-AWEZNQCLSA-N 1 2 355.316 2.895 20 5 FFBDLO O=C1[C@@H]([N@@H+]2CC=C(C(F)(F)F)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000331641778 258194625 /nfs/dbraw/zinc/19/46/25/258194625.db2.gz JPAPAIUNNOVBFN-AWEZNQCLSA-N 1 2 355.316 2.895 20 5 FFBDLO Cc1ccc(OCCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000032151862 506233416 /nfs/dbraw/zinc/23/34/16/506233416.db2.gz GZQGIIPLMRFWRB-UHFFFAOYSA-N 1 2 366.377 2.898 20 5 FFBDLO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000366728259 512161587 /nfs/dbraw/zinc/16/15/87/512161587.db2.gz HKJQEVJXIVMTOO-GUYCJALGSA-N 1 2 355.394 2.551 20 5 FFBDLO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000366728259 512161591 /nfs/dbraw/zinc/16/15/91/512161591.db2.gz HKJQEVJXIVMTOO-GUYCJALGSA-N 1 2 355.394 2.551 20 5 FFBDLO CCC(=O)c1ccc(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000369085848 512220754 /nfs/dbraw/zinc/22/07/54/512220754.db2.gz SVJFLURLPJGCNY-KRWDZBQOSA-N 1 2 358.398 2.861 20 5 FFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000375283938 512249425 /nfs/dbraw/zinc/24/94/25/512249425.db2.gz HJGRDQYOKUYMEO-KRWDZBQOSA-N 1 2 367.327 2.605 20 5 FFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000375283938 512249429 /nfs/dbraw/zinc/24/94/29/512249429.db2.gz HJGRDQYOKUYMEO-KRWDZBQOSA-N 1 2 367.327 2.605 20 5 FFBDLO COc1cc(OCC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)ccc1[N+](=O)[O-] ZINC000066019436 506411459 /nfs/dbraw/zinc/41/14/59/506411459.db2.gz KASNSKQRDDMTPG-UHFFFAOYSA-N 1 2 368.349 2.807 20 5 FFBDLO CNC(=O)c1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)c([N+](=O)[O-])c1 ZINC000066372235 506497695 /nfs/dbraw/zinc/49/76/95/506497695.db2.gz KTJFEJZOAUAEMR-UHFFFAOYSA-N 1 2 351.366 2.752 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(Cc3cn4ccccc4n3)CC2)cc1 ZINC000054444595 506561308 /nfs/dbraw/zinc/56/13/08/506561308.db2.gz PHNGWTPMVAIDAO-UHFFFAOYSA-N 1 2 351.410 2.560 20 5 FFBDLO CN(C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCCCC1 ZINC000054531809 506572714 /nfs/dbraw/zinc/57/27/14/506572714.db2.gz VYUHZNDNHVFAAH-UHFFFAOYSA-N 1 2 360.458 2.508 20 5 FFBDLO Cc1ccc(NC(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000043148356 506709131 /nfs/dbraw/zinc/70/91/31/506709131.db2.gz OJKLGMONWJMMLD-UHFFFAOYSA-N 1 2 355.398 2.648 20 5 FFBDLO O=C(C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)NCCC1=CCCCC1 ZINC000016565488 507096794 /nfs/dbraw/zinc/09/67/94/507096794.db2.gz MNQHODPVKWKFFS-UHFFFAOYSA-N 1 2 372.469 2.724 20 5 FFBDLO Cc1[nH+]c2ccccc2n1CCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000017333647 507122237 /nfs/dbraw/zinc/12/22/37/507122237.db2.gz BTWJMSREPNTPIH-UHFFFAOYSA-N 1 2 374.422 2.540 20 5 FFBDLO CCOc1ccc(C(=O)NCCc2cn3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000021135989 507245382 /nfs/dbraw/zinc/24/53/82/507245382.db2.gz TXVHDIIHEIOTDI-UHFFFAOYSA-N 1 2 354.366 2.614 20 5 FFBDLO Cc1cccc2[nH+]c(CNC(=O)CSc3ccc([N+](=O)[O-])cc3)cn21 ZINC000068570776 507275806 /nfs/dbraw/zinc/27/58/06/507275806.db2.gz WCDRVNTZNBBNNO-UHFFFAOYSA-N 1 2 356.407 2.959 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCN(c4ccccc4)CC3)n2)cc1 ZINC000047406571 507323394 /nfs/dbraw/zinc/32/33/94/507323394.db2.gz AQKAKANLQQRARD-UHFFFAOYSA-N 1 2 365.393 2.967 20 5 FFBDLO O=C(CCOc1ccccc1[N+](=O)[O-])NCc1ccc(N2CCCC2)[nH+]c1 ZINC000047624818 507366817 /nfs/dbraw/zinc/36/68/17/507366817.db2.gz DGJLFVTWYNBWRK-UHFFFAOYSA-N 1 2 370.409 2.675 20 5 FFBDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000024082418 507390274 /nfs/dbraw/zinc/39/02/74/507390274.db2.gz NOANSNJMWQONNN-UHFFFAOYSA-N 1 2 369.421 2.870 20 5 FFBDLO O=C(NCCCn1cc[nH+]c1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000047864389 507403027 /nfs/dbraw/zinc/40/30/27/507403027.db2.gz DVGSLUUMVDIAEV-UHFFFAOYSA-N 1 2 355.301 2.605 20 5 FFBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cc(F)cc4c3OCOC4)CC2)c1 ZINC000048565615 507538161 /nfs/dbraw/zinc/53/81/61/507538161.db2.gz VSOLHWJVBRNCOH-UHFFFAOYSA-N 1 2 373.384 2.923 20 5 FFBDLO COc1ccc(Cl)cc1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000026713427 507603800 /nfs/dbraw/zinc/60/38/00/507603800.db2.gz FJWNARVYCYBXKX-UHFFFAOYSA-N 1 2 362.817 2.974 20 5 FFBDLO COc1ccc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC000027544696 507662430 /nfs/dbraw/zinc/66/24/30/507662430.db2.gz XIRCKCROANVXHQ-UHFFFAOYSA-N 1 2 366.377 2.778 20 5 FFBDLO Cc1noc(C)c1[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000070934825 507665924 /nfs/dbraw/zinc/66/59/24/507665924.db2.gz ZVSPUZDWBLGHLQ-JTQLQIEISA-N 1 2 355.354 2.876 20 5 FFBDLO Cc1c(NC(=O)[C@H](C)Sc2[nH+]cnc3c2cnn3C)cccc1[N+](=O)[O-] ZINC000028761866 507740886 /nfs/dbraw/zinc/74/08/86/507740886.db2.gz RZKVKYHYFMNAFX-JTQLQIEISA-N 1 2 372.410 2.699 20 5 FFBDLO O=C(NCc1ccccc1C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000072895223 507869682 /nfs/dbraw/zinc/86/96/82/507869682.db2.gz GKTDZJPCFYEUAJ-UHFFFAOYSA-N 1 2 370.409 2.749 20 5 FFBDLO CN(CC(=O)Nc1cccc(-n2cc[nH+]c2)c1)c1ccccc1[N+](=O)[O-] ZINC000079602793 507981410 /nfs/dbraw/zinc/98/14/10/507981410.db2.gz SAIZQROPYPNBCP-UHFFFAOYSA-N 1 2 351.366 2.855 20 5 FFBDLO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075533753 508115043 /nfs/dbraw/zinc/11/50/43/508115043.db2.gz XFZOYPHWYXPHBG-ZDUSSCGKSA-N 1 2 366.381 2.523 20 5 FFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000075589370 508120537 /nfs/dbraw/zinc/12/05/37/508120537.db2.gz CMHOEHROVGRUQN-IRXDYDNUSA-N 1 2 374.485 2.674 20 5 FFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000075589370 508120540 /nfs/dbraw/zinc/12/05/40/508120540.db2.gz CMHOEHROVGRUQN-IRXDYDNUSA-N 1 2 374.485 2.674 20 5 FFBDLO CCc1cc(NC[C@@H](O)C2CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000076690745 508241671 /nfs/dbraw/zinc/24/16/71/508241671.db2.gz YFEPLHWWCGICDD-QGZVFWFLSA-N 1 2 372.425 2.814 20 5 FFBDLO O=C(Nc1nccs1)[C@@H]1CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000114471026 508318997 /nfs/dbraw/zinc/31/89/97/508318997.db2.gz VRZGDSZYRMNADP-ZDUSSCGKSA-N 1 2 362.411 2.533 20 5 FFBDLO O=C(Nc1nccs1)[C@@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000114471026 508318999 /nfs/dbraw/zinc/31/89/99/508318999.db2.gz VRZGDSZYRMNADP-ZDUSSCGKSA-N 1 2 362.411 2.533 20 5 FFBDLO CS(=O)(=O)c1cccc(NCCCc2[nH]c3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000121803679 508421683 /nfs/dbraw/zinc/42/16/83/508421683.db2.gz IPHZYQFMIUWWNU-UHFFFAOYSA-N 1 2 374.422 2.919 20 5 FFBDLO Cc1cc(C[NH+]2CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)on1 ZINC000121965660 508458912 /nfs/dbraw/zinc/45/89/12/508458912.db2.gz YHRPIBBQWHLFMG-UHFFFAOYSA-N 1 2 350.806 2.862 20 5 FFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000152782211 508515201 /nfs/dbraw/zinc/51/52/01/508515201.db2.gz OXKXVPLKCKKUHD-OLZOCXBDSA-N 1 2 367.471 2.546 20 5 FFBDLO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000122366229 508523755 /nfs/dbraw/zinc/52/37/55/508523755.db2.gz OUUVYOYCHYBSEJ-YESZJQIVSA-N 1 2 374.485 2.895 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000116601939 508537476 /nfs/dbraw/zinc/53/74/76/508537476.db2.gz LZJPZGULAIOFER-UHFFFAOYSA-N 1 2 358.379 2.890 20 5 FFBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000153297105 508568695 /nfs/dbraw/zinc/56/86/95/508568695.db2.gz NAMUXYBUAZHHKZ-OALUTQOASA-N 1 2 373.453 2.729 20 5 FFBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000153297105 508568699 /nfs/dbraw/zinc/56/86/99/508568699.db2.gz NAMUXYBUAZHHKZ-OALUTQOASA-N 1 2 373.453 2.729 20 5 FFBDLO C[C@@H](C(=O)NC(=O)Nc1ccccc1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153357704 508575093 /nfs/dbraw/zinc/57/50/93/508575093.db2.gz IMEKUUJVMVTONS-ZDUSSCGKSA-N 1 2 368.393 2.690 20 5 FFBDLO C[C@@H](C(=O)NC(=O)Nc1ccccc1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153357704 508575097 /nfs/dbraw/zinc/57/50/97/508575097.db2.gz IMEKUUJVMVTONS-ZDUSSCGKSA-N 1 2 368.393 2.690 20 5 FFBDLO COc1ccc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000157721593 508603224 /nfs/dbraw/zinc/60/32/24/508603224.db2.gz FSMITPHZBMGBEK-MJGOQNOKSA-N 1 2 372.421 2.928 20 5 FFBDLO COc1ccc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000157721593 508603229 /nfs/dbraw/zinc/60/32/29/508603229.db2.gz FSMITPHZBMGBEK-MJGOQNOKSA-N 1 2 372.421 2.928 20 5 FFBDLO O=C(CNc1ccccc1[N+](=O)[O-])NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000138599860 508776622 /nfs/dbraw/zinc/77/66/22/508776622.db2.gz XGPXARFXSIBTBT-UHFFFAOYSA-N 1 2 365.393 2.568 20 5 FFBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000119373206 508782801 /nfs/dbraw/zinc/78/28/01/508782801.db2.gz JWYQTCZCZXCIOQ-FSNWXROXSA-N 1 2 354.410 2.823 20 5 FFBDLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000154925810 508884401 /nfs/dbraw/zinc/88/44/01/508884401.db2.gz WQYDTYRPMJWRFX-UHFFFAOYSA-N 1 2 357.414 2.554 20 5 FFBDLO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131251756 508905647 /nfs/dbraw/zinc/90/56/47/508905647.db2.gz QBSILFWVISAFSS-GFCCVEGCSA-N 1 2 369.377 2.709 20 5 FFBDLO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131251756 508905649 /nfs/dbraw/zinc/90/56/49/508905649.db2.gz QBSILFWVISAFSS-GFCCVEGCSA-N 1 2 369.377 2.709 20 5 FFBDLO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000124954285 508910373 /nfs/dbraw/zinc/91/03/73/508910373.db2.gz ZUMNFVQRSAHTBF-UHFFFAOYSA-N 1 2 361.373 2.644 20 5 FFBDLO O=C(C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N1CCC[C@H](C(F)(F)F)C1 ZINC000131343852 508918871 /nfs/dbraw/zinc/91/88/71/508918871.db2.gz GEYCVBHLZKGYDV-AWEZNQCLSA-N 1 2 371.359 2.754 20 5 FFBDLO O=C(C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N1CCC[C@H](C(F)(F)F)C1 ZINC000131343852 508918873 /nfs/dbraw/zinc/91/88/73/508918873.db2.gz GEYCVBHLZKGYDV-AWEZNQCLSA-N 1 2 371.359 2.754 20 5 FFBDLO Cc1c(CC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cccc1[N+](=O)[O-] ZINC000160351030 508974107 /nfs/dbraw/zinc/97/41/07/508974107.db2.gz JNXSEMXRYXJSLZ-UHFFFAOYSA-N 1 2 354.410 2.757 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000156111766 509128243 /nfs/dbraw/zinc/12/82/43/509128243.db2.gz UDGUWOLREDUXDY-UHFFFAOYSA-N 1 2 355.354 2.615 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@H](Oc4ccncc4)C3)n2)c1 ZINC000156336681 509161588 /nfs/dbraw/zinc/16/15/88/509161588.db2.gz MDBYNDGRZBIGDQ-INIZCTEOSA-N 1 2 367.365 2.693 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@H](Oc4ccncc4)C3)n2)c1 ZINC000156336681 509161594 /nfs/dbraw/zinc/16/15/94/509161594.db2.gz MDBYNDGRZBIGDQ-INIZCTEOSA-N 1 2 367.365 2.693 20 5 FFBDLO O=C(NC1CC1)[C@H]1CCC[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000121444534 509174220 /nfs/dbraw/zinc/17/42/20/509174220.db2.gz UTWUJYVYUGHUND-MRXNPFEDSA-N 1 2 372.450 2.961 20 5 FFBDLO O=C(NC1CC1)[C@H]1CCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000121444534 509174221 /nfs/dbraw/zinc/17/42/21/509174221.db2.gz UTWUJYVYUGHUND-MRXNPFEDSA-N 1 2 372.450 2.961 20 5 FFBDLO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1nccn1CC(F)(F)F ZINC000264120950 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/nfs/dbraw/zinc/90/24/88/511902488.db2.gz QWKASBMYWVSSOI-RCCFBDPRSA-N 1 2 373.409 2.612 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCOC[C@@H]3[C@@H]3CCC[C@H]3O)co2)cc1 ZINC000284861451 511902496 /nfs/dbraw/zinc/90/24/96/511902496.db2.gz QWKASBMYWVSSOI-RCCFBDPRSA-N 1 2 373.409 2.612 20 5 FFBDLO COc1cc[nH+]cc1CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000293292689 511912645 /nfs/dbraw/zinc/91/26/45/511912645.db2.gz HVPCCDGCVLVSGA-UHFFFAOYSA-N 1 2 370.409 2.531 20 5 FFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN(C)[C@H](c2nc(C3CC3)no2)C1 ZINC000285033356 511976622 /nfs/dbraw/zinc/97/66/22/511976622.db2.gz VQXBUZGTGSVKIP-LRDDRELGSA-N 1 2 357.414 2.905 20 5 FFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCN(C)[C@H](c2nc(C3CC3)no2)C1 ZINC000285033356 511976628 /nfs/dbraw/zinc/97/66/28/511976628.db2.gz VQXBUZGTGSVKIP-LRDDRELGSA-N 1 2 357.414 2.905 20 5 FFBDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000375768649 512497074 /nfs/dbraw/zinc/49/70/74/512497074.db2.gz NSSXHBFAHQVVPN-CQSZACIVSA-N 1 2 362.304 2.531 20 5 FFBDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000375768649 512497077 /nfs/dbraw/zinc/49/70/77/512497077.db2.gz NSSXHBFAHQVVPN-CQSZACIVSA-N 1 2 362.304 2.531 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+]([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000411167254 512500687 /nfs/dbraw/zinc/50/06/87/512500687.db2.gz WLSFYQMWNUBLCX-HUUCEWRRSA-N 1 2 357.435 2.970 20 5 FFBDLO COc1cc(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc([N+](=O)[O-])c1C ZINC000375942104 512580735 /nfs/dbraw/zinc/58/07/35/512580735.db2.gz OMAWBVQTQOFWSZ-ZDUSSCGKSA-N 1 2 358.398 2.665 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3C[C@H](O)C[C@H]3c3ccccc3)n2)c1 ZINC000411934097 512878813 /nfs/dbraw/zinc/87/88/13/512878813.db2.gz HDSHCFBWNCHEID-SJORKVTESA-N 1 2 366.377 2.953 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3C[C@H](O)C[C@H]3c3ccccc3)n2)c1 ZINC000411934097 512878816 /nfs/dbraw/zinc/87/88/16/512878816.db2.gz HDSHCFBWNCHEID-SJORKVTESA-N 1 2 366.377 2.953 20 5 FFBDLO O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000370550417 512990106 /nfs/dbraw/zinc/99/01/06/512990106.db2.gz WABRGKBDPLSWMB-HUUCEWRRSA-N 1 2 367.833 2.621 20 5 FFBDLO C[C@@H](O)c1cn(C2C[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2)nn1 ZINC000374815592 513018039 /nfs/dbraw/zinc/01/80/39/513018039.db2.gz CTJDDLGFOFYYPH-GFCCVEGCSA-N 1 2 369.381 2.557 20 5 FFBDLO CC(C)(C)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@@H]1O ZINC000450424053 513189002 /nfs/dbraw/zinc/18/90/02/513189002.db2.gz JWKZXWVQYAONHO-YOEHRIQHSA-N 1 2 372.425 2.650 20 5 FFBDLO CCOc1cc(N2CC[NH+]([C@H](C)c3cnc(C)cn3)CC2)ccc1[N+](=O)[O-] ZINC000428958469 513233533 /nfs/dbraw/zinc/23/35/33/513233533.db2.gz USTGFDBMWPPATI-OAHLLOKOSA-N 1 2 371.441 2.975 20 5 FFBDLO C[C@@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)Cc2ccccc2O1 ZINC000429122787 513283443 /nfs/dbraw/zinc/28/34/43/513283443.db2.gz MXEITAXFQXETTM-CQSZACIVSA-N 1 2 355.394 2.841 20 5 FFBDLO C[C@@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)Cc2ccccc2O1 ZINC000429122787 513283449 /nfs/dbraw/zinc/28/34/49/513283449.db2.gz MXEITAXFQXETTM-CQSZACIVSA-N 1 2 355.394 2.841 20 5 FFBDLO Cc1ncsc1CCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000450720908 513316318 /nfs/dbraw/zinc/31/63/18/513316318.db2.gz VBBFITPZMIWOGV-UHFFFAOYSA-N 1 2 362.455 2.847 20 5 FFBDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000440533041 513348475 /nfs/dbraw/zinc/34/84/75/513348475.db2.gz MZWICGZDWOZYCW-SFHVURJKSA-N 1 2 367.421 2.630 20 5 FFBDLO CC(C)(C)OC(=O)CN[C@@]1(C)CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000440533041 513348484 /nfs/dbraw/zinc/34/84/84/513348484.db2.gz MZWICGZDWOZYCW-SFHVURJKSA-N 1 2 367.421 2.630 20 5 FFBDLO CC(C)(C)OC(=O)CN[C@@]1(C)CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000440533041 513348490 /nfs/dbraw/zinc/34/84/90/513348490.db2.gz MZWICGZDWOZYCW-SFHVURJKSA-N 1 2 367.421 2.630 20 5 FFBDLO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2ncc([N+](=O)[O-])cc2F)cc1 ZINC000413040347 513400122 /nfs/dbraw/zinc/40/01/22/513400122.db2.gz UFHHLSKWQVPUSO-KRWDZBQOSA-N 1 2 360.389 2.923 20 5 FFBDLO C[C@@H](O)CC(C)(C)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447812569 513577755 /nfs/dbraw/zinc/57/77/55/513577755.db2.gz SCHWZPUHVSQGFI-CQSZACIVSA-N 1 2 351.447 2.636 20 5 FFBDLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2OC)s1 ZINC000425488682 513595026 /nfs/dbraw/zinc/59/50/26/513595026.db2.gz NFYKTMDGCLTSGM-SECBINFHSA-N 1 2 351.384 2.697 20 5 FFBDLO Cc1n[nH]c(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1[N+](=O)[O-] ZINC000442181227 513679917 /nfs/dbraw/zinc/67/99/17/513679917.db2.gz LAYLSNKKLOKTAB-HNNXBMFYSA-N 1 2 368.397 2.611 20 5 FFBDLO O=[N+]([O-])c1ccccc1CN1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000436257102 513810474 /nfs/dbraw/zinc/81/04/74/513810474.db2.gz CMTQCTGYMIDAEG-UXHICEINSA-N 1 2 353.422 2.680 20 5 FFBDLO O=[N+]([O-])c1ccccc1CN1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000436257102 513810481 /nfs/dbraw/zinc/81/04/81/513810481.db2.gz CMTQCTGYMIDAEG-UXHICEINSA-N 1 2 353.422 2.680 20 5 FFBDLO CC(=O)[C@@H](NC(=O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C(C)C ZINC000451550088 513826330 /nfs/dbraw/zinc/82/63/30/513826330.db2.gz QVKIYOYUZXCBDL-LPHOPBHVSA-N 1 2 361.442 2.504 20 5 FFBDLO CC(=O)[C@@H](NC(=O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C(C)C ZINC000451550088 513826333 /nfs/dbraw/zinc/82/63/33/513826333.db2.gz QVKIYOYUZXCBDL-LPHOPBHVSA-N 1 2 361.442 2.504 20 5 FFBDLO O=C(NCc1noc2c1CCCC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451780700 513977867 /nfs/dbraw/zinc/97/78/67/513977867.db2.gz NOYODUVKEUFURN-UHFFFAOYSA-N 1 2 367.365 2.577 20 5 FFBDLO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000436859347 514012463 /nfs/dbraw/zinc/01/24/63/514012463.db2.gz AWUKTLSEVIKBSN-OAHLLOKOSA-N 1 2 355.394 2.695 20 5 FFBDLO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000436859347 514012470 /nfs/dbraw/zinc/01/24/70/514012470.db2.gz AWUKTLSEVIKBSN-OAHLLOKOSA-N 1 2 355.394 2.695 20 5 FFBDLO CCN1CCN(c2ccnc3c2cccc3[N+](=O)[O-])C[C@H]1c1[nH]cc[nH+]1 ZINC000432181209 514118483 /nfs/dbraw/zinc/11/84/83/514118483.db2.gz ZFWORXWCNZDUNW-INIZCTEOSA-N 1 2 352.398 2.749 20 5 FFBDLO CC[N@@H+]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])C[C@H]1c1ncc[nH]1 ZINC000432181209 514118491 /nfs/dbraw/zinc/11/84/91/514118491.db2.gz ZFWORXWCNZDUNW-INIZCTEOSA-N 1 2 352.398 2.749 20 5 FFBDLO CC[N@H+]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])C[C@H]1c1ncc[nH]1 ZINC000432181209 514118496 /nfs/dbraw/zinc/11/84/96/514118496.db2.gz ZFWORXWCNZDUNW-INIZCTEOSA-N 1 2 352.398 2.749 20 5 FFBDLO Cc1cc(C[NH+]2CCN(c3ccnc4c3cccc4[N+](=O)[O-])CC2)no1 ZINC000432310318 514155027 /nfs/dbraw/zinc/15/50/27/514155027.db2.gz AFZAVTOMMJXPQR-UHFFFAOYSA-N 1 2 353.382 2.762 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCOC[C@@H]1CC1CCC1 ZINC000452171894 514230211 /nfs/dbraw/zinc/23/02/11/514230211.db2.gz UTNVZMQJQCOWSV-INIZCTEOSA-N 1 2 370.409 2.812 20 5 FFBDLO CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444608562 514272831 /nfs/dbraw/zinc/27/28/31/514272831.db2.gz LLGIXLVNGZFHMB-CYBMUJFWSA-N 1 2 373.457 2.844 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cccc3c2C[N@H+](C)C3)c1 ZINC000427756945 514304676 /nfs/dbraw/zinc/30/46/76/514304676.db2.gz AIASYELGXWCYBL-UHFFFAOYSA-N 1 2 361.423 2.958 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cccc3c2C[N@@H+](C)C3)c1 ZINC000427756945 514304679 /nfs/dbraw/zinc/30/46/79/514304679.db2.gz AIASYELGXWCYBL-UHFFFAOYSA-N 1 2 361.423 2.958 20 5 FFBDLO CCOC(=O)Cn1nc(C)c(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1C ZINC000438118105 514311666 /nfs/dbraw/zinc/31/16/66/514311666.db2.gz QAWTWONWBIHUEH-UHFFFAOYSA-N 1 2 372.425 2.530 20 5 FFBDLO CCOC(=O)Cn1nc(C)c(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1C ZINC000438118105 514311673 /nfs/dbraw/zinc/31/16/73/514311673.db2.gz QAWTWONWBIHUEH-UHFFFAOYSA-N 1 2 372.425 2.530 20 5 FFBDLO CCn1ccnc1[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000439008592 514482052 /nfs/dbraw/zinc/48/20/52/514482052.db2.gz WYWSZZPXGPGGTH-AEFFLSMTSA-N 1 2 374.441 2.778 20 5 FFBDLO CCn1ccnc1[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000439008592 514482058 /nfs/dbraw/zinc/48/20/58/514482058.db2.gz WYWSZZPXGPGGTH-AEFFLSMTSA-N 1 2 374.441 2.778 20 5 FFBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000450199322 514536430 /nfs/dbraw/zinc/53/64/30/514536430.db2.gz KVRKRDDKNQPMRR-OAHLLOKOSA-N 1 2 370.409 2.756 20 5 FFBDLO COc1cc(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)c([N+](=O)[O-])cc1F ZINC000450199016 514536525 /nfs/dbraw/zinc/53/65/25/514536525.db2.gz KDMBYGHYZKJIKL-LLVKDONJSA-N 1 2 362.361 2.555 20 5 FFBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000453576295 514695939 /nfs/dbraw/zinc/69/59/39/514695939.db2.gz MFKMTXRVVVZDTL-UHFFFAOYSA-N 1 2 355.373 2.932 20 5 FFBDLO COc1ccc(C[N@H+](C)Cc2c([N+](=O)[O-])ncn2C)cc1OC(F)F ZINC000475747157 514791881 /nfs/dbraw/zinc/79/18/81/514791881.db2.gz 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COc1cccc2c1CC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])CC2 ZINC000489531676 514883231 /nfs/dbraw/zinc/88/32/31/514883231.db2.gz GXTUXNKWVMSYAW-UHFFFAOYSA-N 1 2 369.421 2.951 20 5 FFBDLO C[C@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000480373210 514936574 /nfs/dbraw/zinc/93/65/74/514936574.db2.gz CYNHQXILOINTQZ-CYBMUJFWSA-N 1 2 368.397 2.504 20 5 FFBDLO O=C1CC[C@H]2C[N@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)CC[C@@H]2N1C1CC1 ZINC000509006592 514985691 /nfs/dbraw/zinc/98/56/91/514985691.db2.gz KRJMVVKFXWPTHX-GTNSWQLSSA-N 1 2 365.380 2.848 20 5 FFBDLO O=C1CC[C@H]2C[N@@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)CC[C@@H]2N1C1CC1 ZINC000509006592 514985699 /nfs/dbraw/zinc/98/56/99/514985699.db2.gz KRJMVVKFXWPTHX-GTNSWQLSSA-N 1 2 365.380 2.848 20 5 FFBDLO C[C@@H](Sc1cccc([N+](=O)[O-])c1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000509091042 515020219 /nfs/dbraw/zinc/02/02/19/515020219.db2.gz UYEHGWLMSKPRGK-CQSZACIVSA-N 1 2 372.450 2.819 20 5 FFBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000485542471 515081601 /nfs/dbraw/zinc/08/16/01/515081601.db2.gz AOLOZZNIXIKNCQ-UHFFFAOYSA-N 1 2 374.347 2.890 20 5 FFBDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3nc(C)cc(C)c3[N+](=O)[O-])CC2)no1 ZINC000480788186 515083004 /nfs/dbraw/zinc/08/30/04/515083004.db2.gz QFQYQLWQHHAAFY-OAHLLOKOSA-N 1 2 374.445 2.789 20 5 FFBDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3nc(C)cc(C)c3[N+](=O)[O-])CC2)no1 ZINC000480788186 515083010 /nfs/dbraw/zinc/08/30/10/515083010.db2.gz QFQYQLWQHHAAFY-OAHLLOKOSA-N 1 2 374.445 2.789 20 5 FFBDLO CCOc1cc(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)c([N+](=O)[O-])cc1OC ZINC000456406843 515163206 /nfs/dbraw/zinc/16/32/06/515163206.db2.gz YIDFZESNBPKHBF-CMPLNLGQSA-N 1 2 360.370 2.634 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000481340687 515297555 /nfs/dbraw/zinc/29/75/55/515297555.db2.gz GBHRTBPXHFQULW-UHFFFAOYSA-N 1 2 374.422 2.646 20 5 FFBDLO CCC(CC)[C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1C)[NH+]1CCOCC1 ZINC000481466276 515336301 /nfs/dbraw/zinc/33/63/01/515336301.db2.gz MRFWUCIHDZBEAZ-SFHVURJKSA-N 1 2 363.458 2.656 20 5 FFBDLO CN(C)c1ncc(C[N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000505481606 515547677 /nfs/dbraw/zinc/54/76/77/515547677.db2.gz VHWBYXVJHWMXRR-UHFFFAOYSA-N 1 2 368.397 2.738 20 5 FFBDLO CN(C)c1ncc(C[N@@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000505481606 515547684 /nfs/dbraw/zinc/54/76/84/515547684.db2.gz VHWBYXVJHWMXRR-UHFFFAOYSA-N 1 2 368.397 2.738 20 5 FFBDLO COC(=O)c1cnc(NCc2cccc(-c3[nH]cc[nH+]3)c2)c([N+](=O)[O-])c1 ZINC000477727070 515570824 /nfs/dbraw/zinc/57/08/24/515570824.db2.gz WAVHITVQZVEVTO-UHFFFAOYSA-N 1 2 353.338 2.779 20 5 FFBDLO Cc1cn2cc(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)ccc2[nH+]1 ZINC000493178653 515606006 /nfs/dbraw/zinc/60/60/06/515606006.db2.gz FTCXMGOFOMOKBW-UHFFFAOYSA-N 1 2 360.395 2.969 20 5 FFBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2ccccc2OC2CC2)CC1 ZINC000459519161 515612912 /nfs/dbraw/zinc/61/29/12/515612912.db2.gz XBUADKIREKLHBP-UHFFFAOYSA-N 1 2 354.410 2.853 20 5 FFBDLO Cn1c[nH+]c(CCNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 ZINC000459524793 515619512 /nfs/dbraw/zinc/61/95/12/515619512.db2.gz IXIDACNTIXNAOG-UHFFFAOYSA-N 1 2 357.292 2.711 20 5 FFBDLO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2c(F)cccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000505798189 515675639 /nfs/dbraw/zinc/67/56/39/515675639.db2.gz ZDLGUHFMKKJSDC-KFWWJZLASA-N 1 2 351.422 2.808 20 5 FFBDLO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2c(F)cccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000505798189 515675646 /nfs/dbraw/zinc/67/56/46/515675646.db2.gz ZDLGUHFMKKJSDC-KFWWJZLASA-N 1 2 351.422 2.808 20 5 FFBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1c[nH]c3ccc([N+](=O)[O-])cc13)CCC2 ZINC000505865410 515702061 /nfs/dbraw/zinc/70/20/61/515702061.db2.gz AZNSVQPGWROWIL-LBPRGKRZSA-N 1 2 353.382 2.888 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000511035393 515753716 /nfs/dbraw/zinc/75/37/16/515753716.db2.gz DHFVOIVKFDEZPO-IBGZPJMESA-N 1 2 369.421 2.707 20 5 FFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000464266519 515763436 /nfs/dbraw/zinc/76/34/36/515763436.db2.gz GRNMUJHZPKTOSQ-UHFFFAOYSA-N 1 2 365.393 2.815 20 5 FFBDLO COc1cc(CN2CCN(c3cc(C)cc[nH+]3)CC2)c([N+](=O)[O-])cc1F ZINC000464677120 515919170 /nfs/dbraw/zinc/91/91/70/515919170.db2.gz LMWHPDUZQSMGLJ-UHFFFAOYSA-N 1 2 360.389 2.768 20 5 FFBDLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500994317 515930911 /nfs/dbraw/zinc/93/09/11/515930911.db2.gz SMJPYGMQICPAQL-GOSISDBHSA-N 1 2 371.393 2.770 20 5 FFBDLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500994317 515930923 /nfs/dbraw/zinc/93/09/23/515930923.db2.gz SMJPYGMQICPAQL-GOSISDBHSA-N 1 2 371.393 2.770 20 5 FFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000483122680 515937610 /nfs/dbraw/zinc/93/76/10/515937610.db2.gz QEEMXXIODOVNGU-UHFFFAOYSA-N 1 2 354.410 2.839 20 5 FFBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCOCC(F)(F)C(F)(F)F)CC2 ZINC000469764803 515955987 /nfs/dbraw/zinc/95/59/87/515955987.db2.gz QAQZTUOEIOHGSX-UHFFFAOYSA-N 1 2 355.263 2.562 20 5 FFBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCOCC(F)(F)C(F)(F)F)CC2 ZINC000469764803 515955997 /nfs/dbraw/zinc/95/59/97/515955997.db2.gz QAQZTUOEIOHGSX-UHFFFAOYSA-N 1 2 355.263 2.562 20 5 FFBDLO CCOc1cc(C(=O)Nc2ccn3cc[nH+]c3c2)c([N+](=O)[O-])cc1OC ZINC000506866720 516007640 /nfs/dbraw/zinc/00/76/40/516007640.db2.gz RSYASDSHWSOLOQ-UHFFFAOYSA-N 1 2 356.338 2.902 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000479127092 516067708 /nfs/dbraw/zinc/06/77/08/516067708.db2.gz ZDIMPPMPBNZDGH-OAHLLOKOSA-N 1 2 355.394 2.859 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000479127092 516067718 /nfs/dbraw/zinc/06/77/18/516067718.db2.gz ZDIMPPMPBNZDGH-OAHLLOKOSA-N 1 2 355.394 2.859 20 5 FFBDLO O=C(NCc1[nH+]ccn1CCc1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507315961 516169703 /nfs/dbraw/zinc/16/97/03/516169703.db2.gz SPMIERFLRKLNPD-UHFFFAOYSA-N 1 2 366.377 2.670 20 5 FFBDLO O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000512582126 516308762 /nfs/dbraw/zinc/30/87/62/516308762.db2.gz KINUNSVNHOHANX-UHFFFAOYSA-N 1 2 360.761 2.659 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc3c(c2)[nH+]cn3C)c1 ZINC000543640654 516342199 /nfs/dbraw/zinc/34/21/99/516342199.db2.gz WPYIXNMXNGQCAS-UHFFFAOYSA-N 1 2 360.395 2.899 20 5 FFBDLO O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000531664919 516587479 /nfs/dbraw/zinc/58/74/79/516587479.db2.gz JTCJKEMISUDVDZ-CVEARBPZSA-N 1 2 373.409 2.714 20 5 FFBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000536211664 516676983 /nfs/dbraw/zinc/67/69/83/516676983.db2.gz WGDMWUFFXHTNCB-UHFFFAOYSA-N 1 2 374.466 2.726 20 5 FFBDLO O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000531919985 516716654 /nfs/dbraw/zinc/71/66/54/516716654.db2.gz XKHZOKVKOANYPX-CVEARBPZSA-N 1 2 367.833 2.621 20 5 FFBDLO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000554971936 516726654 /nfs/dbraw/zinc/72/66/54/516726654.db2.gz DZJADIUMJPGMJY-RBSFLKMASA-N 1 2 361.442 2.967 20 5 FFBDLO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000554971936 516726661 /nfs/dbraw/zinc/72/66/61/516726661.db2.gz DZJADIUMJPGMJY-RBSFLKMASA-N 1 2 361.442 2.967 20 5 FFBDLO Cn1cc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c(-c2ccncc2)n1 ZINC000558577614 516816519 /nfs/dbraw/zinc/81/65/19/516816519.db2.gz QYMCWHIVAPWGDI-UHFFFAOYSA-N 1 2 365.393 2.785 20 5 FFBDLO Cn1cc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c(-c2ccncc2)n1 ZINC000558577614 516816527 /nfs/dbraw/zinc/81/65/27/516816527.db2.gz QYMCWHIVAPWGDI-UHFFFAOYSA-N 1 2 365.393 2.785 20 5 FFBDLO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000561906343 516823626 /nfs/dbraw/zinc/82/36/26/516823626.db2.gz HNTAJYCRQZUVRI-INIZCTEOSA-N 1 2 357.414 2.664 20 5 FFBDLO Cc1cc(C)c(NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])c(C)[nH+]1 ZINC000518977611 516839695 /nfs/dbraw/zinc/83/96/95/516839695.db2.gz HOPRRYDJIIYSSO-UHFFFAOYSA-N 1 2 374.422 2.745 20 5 FFBDLO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCCNc1cccc[nH+]1 ZINC000524839152 516844357 /nfs/dbraw/zinc/84/43/57/516844357.db2.gz XAIBNVJLCFAEOP-UHFFFAOYSA-N 1 2 357.414 2.724 20 5 FFBDLO COc1cc[nH+]cc1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000562052687 516897809 /nfs/dbraw/zinc/89/78/09/516897809.db2.gz HZOMWZWHWUHPTM-UHFFFAOYSA-N 1 2 366.171 2.691 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]CCNc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000552045417 517048418 /nfs/dbraw/zinc/04/84/18/517048418.db2.gz GNICCKFENFQYPH-QGZVFWFLSA-N 1 2 352.398 2.514 20 5 FFBDLO Cc1c(CC(=O)NCC2CC[NH+](CC(F)F)CC2)cccc1[N+](=O)[O-] ZINC000552121497 517093247 /nfs/dbraw/zinc/09/32/47/517093247.db2.gz HKPLINLAHYFJOM-UHFFFAOYSA-N 1 2 355.385 2.539 20 5 FFBDLO Cc1nn(CCC(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)c(C)c1[N+](=O)[O-] ZINC000525724510 517137705 /nfs/dbraw/zinc/13/77/05/517137705.db2.gz SEEVQGIHWCLVPX-UHFFFAOYSA-N 1 2 356.386 2.632 20 5 FFBDLO C[N@@H+](Cc1c(F)cccc1F)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000559364887 517215925 /nfs/dbraw/zinc/21/59/25/517215925.db2.gz OOZMPNLTFNAZDB-GFCCVEGCSA-N 1 2 352.337 2.745 20 5 FFBDLO C[N@H+](Cc1c(F)cccc1F)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000559364887 517215937 /nfs/dbraw/zinc/21/59/37/517215937.db2.gz OOZMPNLTFNAZDB-GFCCVEGCSA-N 1 2 352.337 2.745 20 5 FFBDLO Cc1[nH+]c2cc(NC(=O)C(=O)Nc3cccc([N+](=O)[O-])c3C)ccc2n1C ZINC000525904062 517226316 /nfs/dbraw/zinc/22/63/16/517226316.db2.gz XAXKCNVWAJFOTE-UHFFFAOYSA-N 1 2 367.365 2.676 20 5 FFBDLO CN(Cc1ccccc1)C(=O)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000533351094 517423107 /nfs/dbraw/zinc/42/31/07/517423107.db2.gz TUKLISNSTNIWPM-UHFFFAOYSA-N 1 2 368.437 2.964 20 5 FFBDLO Cc1[nH+]c2ccc(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)cc2n1C ZINC000526996398 517438995 /nfs/dbraw/zinc/43/89/95/517438995.db2.gz CZGPVZMIFCVCGB-UHFFFAOYSA-N 1 2 354.366 2.599 20 5 FFBDLO CNc1ccc(C(=O)Nc2ccc3[nH]c(N(C)C)[nH+]c3c2)cc1[N+](=O)[O-] ZINC000549377270 517535009 /nfs/dbraw/zinc/53/50/09/517535009.db2.gz JVZFTXIFOCRQEV-UHFFFAOYSA-N 1 2 354.370 2.831 20 5 FFBDLO CC[C@H](C)n1[nH]c(=NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1C ZINC000538349908 517579433 /nfs/dbraw/zinc/57/94/33/517579433.db2.gz SOJULYAHWXNVGG-LBPRGKRZSA-N 1 2 368.397 2.931 20 5 FFBDLO Cc1c(Br)c(N2CC[NH+](CC3CC3)CC2)ncc1[N+](=O)[O-] ZINC000542522577 517609566 /nfs/dbraw/zinc/60/95/66/517609566.db2.gz WLALGRGEZFOZNA-UHFFFAOYSA-N 1 2 355.236 2.593 20 5 FFBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCOCC1 ZINC000538587638 517680632 /nfs/dbraw/zinc/68/06/32/517680632.db2.gz UHXAFMGMYJERPH-UHFFFAOYSA-N 1 2 367.471 2.549 20 5 FFBDLO COc1ccc(CN[C@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)cc1O ZINC000556873135 517719883 /nfs/dbraw/zinc/71/98/83/517719883.db2.gz UJIKBZNYMCIJNL-SFHVURJKSA-N 1 2 368.393 2.922 20 5 FFBDLO Cc1cccc(NCC[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)n1 ZINC000560543203 517884880 /nfs/dbraw/zinc/88/48/80/517884880.db2.gz HLOMDDUSZNRJJY-GOSISDBHSA-N 1 2 366.425 2.823 20 5 FFBDLO O=c1[nH]cnc2cc(NCCc3[nH]c4ccccc4[nH+]3)c([N+](=O)[O-])cc21 ZINC000557215551 517923121 /nfs/dbraw/zinc/92/31/21/517923121.db2.gz QEQQUWDXCBJXJB-UHFFFAOYSA-N 1 2 350.338 2.775 20 5 FFBDLO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000539413894 518035003 /nfs/dbraw/zinc/03/50/03/518035003.db2.gz FJCFFSJLPFIIFE-UHFFFAOYSA-N 1 2 361.373 2.644 20 5 FFBDLO Cc1ccc[nH+]c1CCc1noc(-c2cc([N+](=O)[O-])cc3c2OCCO3)n1 ZINC000578837223 518394117 /nfs/dbraw/zinc/39/41/17/518394117.db2.gz VRIDTAAQZQUMCT-UHFFFAOYSA-N 1 2 368.349 2.905 20 5 FFBDLO COCc1nc(CN[C@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000582092458 518583360 /nfs/dbraw/zinc/58/33/60/518583360.db2.gz SIGPZXCKZOJYNR-INIZCTEOSA-N 1 2 373.438 2.810 20 5 FFBDLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000587045275 518675409 /nfs/dbraw/zinc/67/54/09/518675409.db2.gz KXPJNVPSWCFZJL-LBPRGKRZSA-N 1 2 369.406 2.660 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]CCOc1ncccc1F)c1cccc([N+](=O)[O-])c1 ZINC000582316860 518694176 /nfs/dbraw/zinc/69/41/76/518694176.db2.gz IEFHKBYSMJCGMV-INIZCTEOSA-N 1 2 371.372 2.620 20 5 FFBDLO CCOc1cc(Cn2c3ccccc3[nH+]c2NC[C@H](C)O)ccc1[N+](=O)[O-] ZINC000567968287 518806369 /nfs/dbraw/zinc/80/63/69/518806369.db2.gz AMJMAXWXSIHOIC-ZDUSSCGKSA-N 1 2 370.409 2.606 20 5 FFBDLO CO[C@@H](C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000582550108 518809161 /nfs/dbraw/zinc/80/91/61/518809161.db2.gz LUEFIINICWBWKU-IBGZPJMESA-N 1 2 369.421 2.740 20 5 FFBDLO CC(C)(NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1[nH]cc[nH+]1 ZINC000577117812 518922602 /nfs/dbraw/zinc/92/26/02/518922602.db2.gz ADMHWUNVVQIUHC-UHFFFAOYSA-N 1 2 357.414 2.586 20 5 FFBDLO COC(=O)C[C@@H]1COCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000589205440 518951002 /nfs/dbraw/zinc/95/10/02/518951002.db2.gz QVPSWYZTIGTDQA-CYBMUJFWSA-N 1 2 360.366 2.619 20 5 FFBDLO COC(=O)C[C@@H]1COCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000589205440 518951010 /nfs/dbraw/zinc/95/10/10/518951010.db2.gz QVPSWYZTIGTDQA-CYBMUJFWSA-N 1 2 360.366 2.619 20 5 FFBDLO COC(=O)[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@H](OC)C1 ZINC000574046208 518961789 /nfs/dbraw/zinc/96/17/89/518961789.db2.gz FITLZIFDAPPNHU-ITYAGRCDSA-N 1 2 362.426 2.944 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000589300971 518976108 /nfs/dbraw/zinc/97/61/08/518976108.db2.gz XASBMTTWPFHSJW-XYPHTWIQSA-N 1 2 359.426 2.955 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000589300971 518976120 /nfs/dbraw/zinc/97/61/20/518976120.db2.gz XASBMTTWPFHSJW-XYPHTWIQSA-N 1 2 359.426 2.955 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)Cc2ccc3c(c2)OCCO3)c1 ZINC000589495243 519018007 /nfs/dbraw/zinc/01/80/07/519018007.db2.gz KOJVBZVSIUBMHA-UHFFFAOYSA-N 1 2 372.377 2.785 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)Cc2ccc3c(c2)OCCO3)c1 ZINC000589495243 519018012 /nfs/dbraw/zinc/01/80/12/519018012.db2.gz KOJVBZVSIUBMHA-UHFFFAOYSA-N 1 2 372.377 2.785 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1 ZINC000589521272 519022990 /nfs/dbraw/zinc/02/29/90/519022990.db2.gz PABYLVBNTBMYNI-DLBZAZTESA-N 1 2 360.410 2.915 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1 ZINC000589521272 519022996 /nfs/dbraw/zinc/02/29/96/519022996.db2.gz PABYLVBNTBMYNI-DLBZAZTESA-N 1 2 360.410 2.915 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1 ZINC000589521274 519023432 /nfs/dbraw/zinc/02/34/32/519023432.db2.gz PABYLVBNTBMYNI-IRXDYDNUSA-N 1 2 360.410 2.915 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1 ZINC000589521274 519023436 /nfs/dbraw/zinc/02/34/36/519023436.db2.gz PABYLVBNTBMYNI-IRXDYDNUSA-N 1 2 360.410 2.915 20 5 FFBDLO O=C1NCCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H]1Cc1ccccc1 ZINC000590188476 519170042 /nfs/dbraw/zinc/17/00/42/519170042.db2.gz QLBWOOZVTOKIPM-SFHVURJKSA-N 1 2 357.385 2.667 20 5 FFBDLO O=C1NCCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H]1Cc1ccccc1 ZINC000590188476 519170048 /nfs/dbraw/zinc/17/00/48/519170048.db2.gz QLBWOOZVTOKIPM-SFHVURJKSA-N 1 2 357.385 2.667 20 5 FFBDLO O=C(CC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1)Nc1ccccc1F ZINC000583351164 519199921 /nfs/dbraw/zinc/19/99/21/519199921.db2.gz MKWUHPDMMRGMAJ-UHFFFAOYSA-N 1 2 359.357 2.957 20 5 FFBDLO O=C(CC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1)Nc1ccccc1F ZINC000583351164 519199929 /nfs/dbraw/zinc/19/99/29/519199929.db2.gz MKWUHPDMMRGMAJ-UHFFFAOYSA-N 1 2 359.357 2.957 20 5 FFBDLO Cc1c(Cl)cc(S(=O)(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)cc1[N+](=O)[O-] ZINC000574626288 519248934 /nfs/dbraw/zinc/24/89/34/519248934.db2.gz FAHPEMDNTOHFKD-ZDUSSCGKSA-N 1 2 372.834 2.955 20 5 FFBDLO Nc1ccc(N2CC[NH+](Cc3c(F)cccc3Cl)CC2)nc1[N+](=O)[O-] ZINC000590569009 519268222 /nfs/dbraw/zinc/26/82/22/519268222.db2.gz GXIGJVGCKJLALA-UHFFFAOYSA-N 1 2 365.796 2.687 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1N(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1(C)C ZINC000590655151 519304716 /nfs/dbraw/zinc/30/47/16/519304716.db2.gz RPJHDQOZSIORQK-MRXNPFEDSA-N 1 2 358.398 2.683 20 5 FFBDLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000590758967 519354888 /nfs/dbraw/zinc/35/48/88/519354888.db2.gz OXUHIRLWKBJXTA-JTQLQIEISA-N 1 2 354.288 2.555 20 5 FFBDLO Nc1nc(N[C@@H]2CCC[C@H](c3[nH]c4ccccc4[nH+]3)C2)ncc1[N+](=O)[O-] ZINC000578009302 519371223 /nfs/dbraw/zinc/37/12/23/519371223.db2.gz NZKUQDZUDISGAK-WDEREUQCSA-N 1 2 353.386 2.812 20 5 FFBDLO COc1cc(C[NH+]2CC(C(F)F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000590968956 519463770 /nfs/dbraw/zinc/46/37/70/519463770.db2.gz WBKWYAPKWLRRKE-UHFFFAOYSA-N 1 2 352.284 2.944 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCc1noc2c1CCCC2 ZINC000572317318 519552051 /nfs/dbraw/zinc/55/20/51/519552051.db2.gz XMAACAFRJYPPCO-UHFFFAOYSA-N 1 2 372.425 2.906 20 5 FFBDLO O=C1C[N@H+](Cc2cccc(N[C@H]3CCc4c3cccc4[N+](=O)[O-])c2)CCN1 ZINC000584062871 519572450 /nfs/dbraw/zinc/57/24/50/519572450.db2.gz ADDJKHUJILRONQ-SFHVURJKSA-N 1 2 366.421 2.626 20 5 FFBDLO O=C1C[N@@H+](Cc2cccc(N[C@H]3CCc4c3cccc4[N+](=O)[O-])c2)CCN1 ZINC000584062871 519572457 /nfs/dbraw/zinc/57/24/57/519572457.db2.gz ADDJKHUJILRONQ-SFHVURJKSA-N 1 2 366.421 2.626 20 5 FFBDLO COc1ccc(C[NH2+]Cc2cn(-c3ccccc3C)nn2)cc1[N+](=O)[O-] ZINC000569498876 519581715 /nfs/dbraw/zinc/58/17/15/519581715.db2.gz HDFRYYKEHXFJPV-UHFFFAOYSA-N 1 2 353.382 2.782 20 5 FFBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC=C(c3cnn(C)c3)C2)cccc1[N+](=O)[O-] ZINC000602890229 519952239 /nfs/dbraw/zinc/95/22/39/519952239.db2.gz YSMDYWLUKWNIKM-AWEZNQCLSA-N 1 2 369.425 2.753 20 5 FFBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC=C(c3cnn(C)c3)C2)cccc1[N+](=O)[O-] ZINC000602890229 519952242 /nfs/dbraw/zinc/95/22/42/519952242.db2.gz YSMDYWLUKWNIKM-AWEZNQCLSA-N 1 2 369.425 2.753 20 5 FFBDLO Cc1cn2c([nH+]1)C[C@H](C(=O)NCCc1c[nH]c3ccc([N+](=O)[O-])cc13)CC2 ZINC000599946263 519966155 /nfs/dbraw/zinc/96/61/55/519966155.db2.gz ZTTURLXSPNVNRB-CYBMUJFWSA-N 1 2 367.409 2.502 20 5 FFBDLO COC(=O)[C@@H]1CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C ZINC000591951801 520103676 /nfs/dbraw/zinc/10/36/76/520103676.db2.gz NMSIGDLWHPUSKD-IAQYHMDHSA-N 1 2 356.382 2.606 20 5 FFBDLO Cc1cccc2[nH+]c(CCNC(=O)NCCc3cccc([N+](=O)[O-])c3)cn21 ZINC000591960112 520108049 /nfs/dbraw/zinc/10/80/49/520108049.db2.gz WRSZLDZBSYVEKX-UHFFFAOYSA-N 1 2 367.409 2.635 20 5 FFBDLO O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000597723649 520197920 /nfs/dbraw/zinc/19/79/20/520197920.db2.gz MDJIZNAOWZUZBK-GJZGRUSLSA-N 1 2 354.410 2.829 20 5 FFBDLO O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000597723649 520197925 /nfs/dbraw/zinc/19/79/25/520197925.db2.gz MDJIZNAOWZUZBK-GJZGRUSLSA-N 1 2 354.410 2.829 20 5 FFBDLO CCc1cc(-n2c[nH+]c(CCCO)c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000609496278 520333168 /nfs/dbraw/zinc/33/31/68/520333168.db2.gz DPVNXSHGDKNXTN-UHFFFAOYSA-N 1 2 353.382 2.725 20 5 FFBDLO C[NH+](C)[C@@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])c1c(F)cccc1F ZINC000609670228 520401348 /nfs/dbraw/zinc/40/13/48/520401348.db2.gz HFAUKBSBZGNJLF-HNNXBMFYSA-N 1 2 364.352 2.687 20 5 FFBDLO COC(=O)[C@H]1C[C@@H](C2CCCCC2)C[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595332037 520412997 /nfs/dbraw/zinc/41/29/97/520412997.db2.gz BGRIYFCJYQYCFB-ZIAGYGMSSA-N 1 2 351.403 2.835 20 5 FFBDLO COC(=O)[C@H]1C[C@@H](C2CCCCC2)C[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595332037 520413007 /nfs/dbraw/zinc/41/30/07/520413007.db2.gz BGRIYFCJYQYCFB-ZIAGYGMSSA-N 1 2 351.403 2.835 20 5 FFBDLO COc1cc([C@@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])cc(OC)c1OC ZINC000595415307 520456680 /nfs/dbraw/zinc/45/66/80/520456680.db2.gz LUOWPCYVRXWPSD-SECBINFHSA-N 1 2 351.359 2.768 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@H](CCO)C1 ZINC000609849086 520457554 /nfs/dbraw/zinc/45/75/54/520457554.db2.gz YSVQSZFGUXDENQ-NWDGAFQWSA-N 1 2 355.822 2.670 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@H](CCO)C1 ZINC000609849086 520457557 /nfs/dbraw/zinc/45/75/57/520457557.db2.gz YSVQSZFGUXDENQ-NWDGAFQWSA-N 1 2 355.822 2.670 20 5 FFBDLO C[C@H]1CC2(CN1C(=O)c1ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c1)CCOCC2 ZINC000592720428 520541220 /nfs/dbraw/zinc/54/12/20/520541220.db2.gz LJIMEWPRGDMKTH-AWEZNQCLSA-N 1 2 370.409 2.812 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC2(CCCC2=O)CC1 ZINC000598334813 520561909 /nfs/dbraw/zinc/56/19/09/520561909.db2.gz ZONNNRFTYYBJIO-UHFFFAOYSA-N 1 2 368.393 2.756 20 5 FFBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000604546500 520596219 /nfs/dbraw/zinc/59/62/19/520596219.db2.gz ACSNWGUZXAVUKN-UHFFFAOYSA-N 1 2 353.382 2.581 20 5 FFBDLO CCn1nc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000601150486 520661437 /nfs/dbraw/zinc/66/14/37/520661437.db2.gz YAYJMGJKZGDXPF-LJQANCHMSA-N 1 2 354.410 2.962 20 5 FFBDLO Cc1cccn2cc(CCNC(=O)NCc3cccc([N+](=O)[O-])c3)[nH+]c12 ZINC000610460355 520699684 /nfs/dbraw/zinc/69/96/84/520699684.db2.gz YFCDTQPWQCYCOP-UHFFFAOYSA-N 1 2 353.382 2.593 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCn2c(CC3CC3)nnc2C1 ZINC000593053440 520712100 /nfs/dbraw/zinc/71/21/00/520712100.db2.gz GMWAIDIEGABVAS-UHFFFAOYSA-N 1 2 357.414 2.553 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCn2c(CC3CC3)nnc2C1 ZINC000593053440 520712107 /nfs/dbraw/zinc/71/21/07/520712107.db2.gz GMWAIDIEGABVAS-UHFFFAOYSA-N 1 2 357.414 2.553 20 5 FFBDLO O=C1[C@H]([NH+]2CCC(c3ccon3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595828073 520752161 /nfs/dbraw/zinc/75/21/61/520752161.db2.gz HVFYASULELYDAQ-QGZVFWFLSA-N 1 2 356.382 2.568 20 5 FFBDLO COc1cc(N2CC[NH+](Cc3cccnc3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596065572 520890484 /nfs/dbraw/zinc/89/04/84/520890484.db2.gz SIILDCVUYUDCAF-UHFFFAOYSA-N 1 2 362.817 2.974 20 5 FFBDLO NC(=O)c1cc(NCc2cc[nH+]c(N3CCCCC3)c2)ccc1[N+](=O)[O-] ZINC000596080954 520900789 /nfs/dbraw/zinc/90/07/89/520900789.db2.gz QCPUDAZAGRDSQN-UHFFFAOYSA-N 1 2 355.398 2.691 20 5 FFBDLO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3cccc(O)c3[N+](=O)[O-])C2)cc1 ZINC000601881423 521004508 /nfs/dbraw/zinc/00/45/08/521004508.db2.gz MKWFAYAHCRWXJM-OAHLLOKOSA-N 1 2 355.394 2.613 20 5 FFBDLO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3cccc(O)c3[N+](=O)[O-])C2)cc1 ZINC000601881423 521004514 /nfs/dbraw/zinc/00/45/14/521004514.db2.gz MKWFAYAHCRWXJM-OAHLLOKOSA-N 1 2 355.394 2.613 20 5 FFBDLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000611139985 521006516 /nfs/dbraw/zinc/00/65/16/521006516.db2.gz BKASGHFEMHZHOO-UHFFFAOYSA-N 1 2 364.789 2.722 20 5 FFBDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000611139985 521006520 /nfs/dbraw/zinc/00/65/20/521006520.db2.gz BKASGHFEMHZHOO-UHFFFAOYSA-N 1 2 364.789 2.722 20 5 FFBDLO Cc1c(Br)c(N2CC[NH+](CCCF)CC2)ncc1[N+](=O)[O-] ZINC000599093252 521030377 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521291601 /nfs/dbraw/zinc/29/16/01/521291601.db2.gz OKRMMJUZACBVRG-UHFFFAOYSA-N 1 2 370.438 2.707 20 5 FFBDLO NC(=O)C[C@H]1CCC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602480033 521368600 /nfs/dbraw/zinc/36/86/00/521368600.db2.gz DKJDMUMSXISFRB-MRVPVSSYSA-N 1 2 362.249 2.506 20 5 FFBDLO NC(=O)C[C@H]1CCC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602480033 521368608 /nfs/dbraw/zinc/36/86/08/521368608.db2.gz DKJDMUMSXISFRB-MRVPVSSYSA-N 1 2 362.249 2.506 20 5 FFBDLO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000599694925 521408060 /nfs/dbraw/zinc/40/80/60/521408060.db2.gz JAYZOKYJVVFCNI-ZSBIGDGJSA-N 1 2 354.378 2.905 20 5 FFBDLO COC(=O)[C@@H]1C[C@@H](C)[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000599694925 521408069 /nfs/dbraw/zinc/40/80/69/521408069.db2.gz JAYZOKYJVVFCNI-ZSBIGDGJSA-N 1 2 354.378 2.905 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCC[C@H](OC(F)F)C1 ZINC000619154675 521421470 /nfs/dbraw/zinc/42/14/70/521421470.db2.gz IVQFQQYXZBXOSO-AWEZNQCLSA-N 1 2 371.384 2.635 20 5 FFBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000612035775 521449515 /nfs/dbraw/zinc/44/95/15/521449515.db2.gz XMZAOXGKOXSVEX-AWEZNQCLSA-N 1 2 364.348 2.671 20 5 FFBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCc2c(F)cc(F)cc2C1 ZINC000612035775 521449522 /nfs/dbraw/zinc/44/95/22/521449522.db2.gz XMZAOXGKOXSVEX-AWEZNQCLSA-N 1 2 364.348 2.671 20 5 FFBDLO COC(=O)c1cc(C2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)no1 ZINC000602746890 521512289 /nfs/dbraw/zinc/51/22/89/521512289.db2.gz LKWALKMHUUKIDT-UHFFFAOYSA-N 1 2 351.384 2.811 20 5 FFBDLO CC[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@]2(CCOC2)O1 ZINC000619434273 521565335 /nfs/dbraw/zinc/56/53/35/521565335.db2.gz YEIMNKVPFHDZDI-YOEHRIQHSA-N 1 2 372.368 2.966 20 5 FFBDLO CC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@]2(CCOC2)O1 ZINC000619434273 521565343 /nfs/dbraw/zinc/56/53/43/521565343.db2.gz YEIMNKVPFHDZDI-YOEHRIQHSA-N 1 2 372.368 2.966 20 5 FFBDLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000898494299 735369354 /nfs/dbraw/zinc/36/93/54/735369354.db2.gz JUNNGONGWLAYDB-SNVBAGLBSA-N 1 2 374.210 2.521 20 5 FFBDLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000898494299 735369356 /nfs/dbraw/zinc/36/93/56/735369356.db2.gz JUNNGONGWLAYDB-SNVBAGLBSA-N 1 2 374.210 2.521 20 5 FFBDLO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000862526624 730706367 /nfs/dbraw/zinc/70/63/67/730706367.db2.gz CDVHDJMIJHRCLO-NNOLRYQLSA-N 1 2 373.272 2.843 20 5 FFBDLO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000862526624 730706369 /nfs/dbraw/zinc/70/63/69/730706369.db2.gz CDVHDJMIJHRCLO-NNOLRYQLSA-N 1 2 373.272 2.843 20 5 FFBDLO Cc1csc([C@H]2CC[N@H+](Cn3c(=O)oc4cccc([N+](=O)[O-])c43)C2)n1 ZINC000872807008 731834743 /nfs/dbraw/zinc/83/47/43/731834743.db2.gz XNFWXMRLKOWWBY-NSHDSACASA-N 1 2 360.395 2.715 20 5 FFBDLO Cc1csc([C@H]2CC[N@@H+](Cn3c(=O)oc4cccc([N+](=O)[O-])c43)C2)n1 ZINC000872807008 731834747 /nfs/dbraw/zinc/83/47/47/731834747.db2.gz XNFWXMRLKOWWBY-NSHDSACASA-N 1 2 360.395 2.715 20 5 FFBDLO NC(=O)Cc1cccc2c1CC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000877679934 732412544 /nfs/dbraw/zinc/41/25/44/732412544.db2.gz MWVOACVZKATRQD-UHFFFAOYSA-N 1 2 359.813 2.834 20 5 FFBDLO NC(=O)Cc1cccc2c1CC[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000877679934 732412545 /nfs/dbraw/zinc/41/25/45/732412545.db2.gz MWVOACVZKATRQD-UHFFFAOYSA-N 1 2 359.813 2.834 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@](OC)(C(F)(F)F)C2)c1 ZINC000880306859 732884121 /nfs/dbraw/zinc/88/41/21/732884121.db2.gz BYVDJGWXLRKLRT-CQSZACIVSA-N 1 2 362.304 2.535 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@](OC)(C(F)(F)F)C2)c1 ZINC000880306859 732884123 /nfs/dbraw/zinc/88/41/23/732884123.db2.gz BYVDJGWXLRKLRT-CQSZACIVSA-N 1 2 362.304 2.535 20 5 FFBDLO C[N@@H+]1CCc2nc(NC(=O)[C@@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)sc2C1 ZINC000891637693 734455105 /nfs/dbraw/zinc/45/51/05/734455105.db2.gz DCOUVHVEXXSEJE-CHWSQXEVSA-N 1 2 358.423 2.781 20 5 FFBDLO C[N@H+]1CCc2nc(NC(=O)[C@@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)sc2C1 ZINC000891637693 734455106 /nfs/dbraw/zinc/45/51/06/734455106.db2.gz DCOUVHVEXXSEJE-CHWSQXEVSA-N 1 2 358.423 2.781 20 5 FFBDLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000741149262 735120992 /nfs/dbraw/zinc/12/09/92/735120992.db2.gz WQQIPSRIGYYXFN-CQSZACIVSA-N 1 2 369.805 2.604 20 5 FFBDLO CC[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000741149262 735120996 /nfs/dbraw/zinc/12/09/96/735120996.db2.gz WQQIPSRIGYYXFN-CQSZACIVSA-N 1 2 369.805 2.604 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000901208957 735757640 /nfs/dbraw/zinc/75/76/40/735757640.db2.gz YIKHEHQQPWMRJX-VIFPVBQESA-N 1 2 352.753 2.751 20 5 FFBDLO C[N@H+](CC(F)F)C1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000754051254 736119816 /nfs/dbraw/zinc/11/98/16/736119816.db2.gz OQZNUDMLZDNBNW-UHFFFAOYSA-N 1 2 351.357 2.704 20 5 FFBDLO C[N@@H+](CC(F)F)C1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000754051254 736119818 /nfs/dbraw/zinc/11/98/18/736119818.db2.gz OQZNUDMLZDNBNW-UHFFFAOYSA-N 1 2 351.357 2.704 20 5 FFBDLO O=C(C[N@@H+](CCO)Cc1ccccc1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000754251382 736140683 /nfs/dbraw/zinc/14/06/83/736140683.db2.gz SDTQOTBGPFRYPA-UHFFFAOYSA-N 1 2 363.801 2.681 20 5 FFBDLO O=C(C[N@H+](CCO)Cc1ccccc1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000754251382 736140686 /nfs/dbraw/zinc/14/06/86/736140686.db2.gz SDTQOTBGPFRYPA-UHFFFAOYSA-N 1 2 363.801 2.681 20 5 FFBDLO O=C(NCc1cnc(Cl)s1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000773333695 737895462 /nfs/dbraw/zinc/89/54/62/737895462.db2.gz ODFLXQSUFQRVRP-UHFFFAOYSA-N 1 2 363.786 2.820 20 5 FFBDLO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000775876961 738134575 /nfs/dbraw/zinc/13/45/75/738134575.db2.gz NHMLIMWQAPCWGP-UONOGXRCSA-N 1 2 356.806 2.791 20 5 FFBDLO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000775876961 738134577 /nfs/dbraw/zinc/13/45/77/738134577.db2.gz NHMLIMWQAPCWGP-UONOGXRCSA-N 1 2 356.806 2.791 20 5 FFBDLO O=C(C[NH+]1CCC(O)(C2CCC2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000932820834 739525119 /nfs/dbraw/zinc/52/51/19/739525119.db2.gz ULVZURNKIAMYOQ-UHFFFAOYSA-N 1 2 367.833 2.814 20 5 FFBDLO O=C(OCc1cnc(Cl)cn1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000798660090 740352419 /nfs/dbraw/zinc/35/24/19/740352419.db2.gz LUXYNFQKRXPZDP-UHFFFAOYSA-N 1 2 359.729 2.581 20 5 FFBDLO CCC[C@@]1(CO)CC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000808795176 741261239 /nfs/dbraw/zinc/26/12/39/741261239.db2.gz RTDVIQQGGPZINH-MRXNPFEDSA-N 1 2 355.822 2.671 20 5 FFBDLO CCC[C@@]1(CO)CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000808795176 741261241 /nfs/dbraw/zinc/26/12/41/741261241.db2.gz RTDVIQQGGPZINH-MRXNPFEDSA-N 1 2 355.822 2.671 20 5 FFBDLO O=C(C[N@H+]1CC[C@H](O)CC12CCC2)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000817291776 742118744 /nfs/dbraw/zinc/11/87/44/742118744.db2.gz QDZKFSJIVNSGHF-LBPRGKRZSA-N 1 2 353.806 2.566 20 5 FFBDLO O=C(C[N@@H+]1CC[C@H](O)CC12CCC2)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000817291776 742118746 /nfs/dbraw/zinc/11/87/46/742118746.db2.gz QDZKFSJIVNSGHF-LBPRGKRZSA-N 1 2 353.806 2.566 20 5 FFBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000823205237 742852533 /nfs/dbraw/zinc/85/25/33/742852533.db2.gz LLVNMUDHZVTUJF-GFCCVEGCSA-N 1 2 372.252 2.937 20 5 FFBDLO Cc1cc[nH+]c(NCCc2ccc(Cl)cc2[N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826314223 743378919 /nfs/dbraw/zinc/37/89/19/743378919.db2.gz LZIJZNGAVFCYBM-UHFFFAOYSA-N 1 2 359.777 2.786 20 5 FFBDLO O=C(C[N@@H+]1CCC[C@H]1[C@H]1CCCO1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839595949 746866756 /nfs/dbraw/zinc/86/67/56/746866756.db2.gz PFLKVSNKTIUXMU-LSDHHAIUSA-N 1 2 353.806 2.830 20 5 FFBDLO O=C(C[N@H+]1CCC[C@H]1[C@H]1CCCO1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839595949 746866763 /nfs/dbraw/zinc/86/67/63/746866763.db2.gz PFLKVSNKTIUXMU-LSDHHAIUSA-N 1 2 353.806 2.830 20 5 FFBDLO O=C1C[C@H](C(F)F)CN1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000840128327 747012992 /nfs/dbraw/zinc/01/29/92/747012992.db2.gz WFMVCJCAWANSHZ-KBPBESRZSA-N 1 2 353.369 2.845 20 5 FFBDLO O=C1C[C@H](C(F)F)CN1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000840128327 747012996 /nfs/dbraw/zinc/01/29/96/747012996.db2.gz WFMVCJCAWANSHZ-KBPBESRZSA-N 1 2 353.369 2.845 20 5 FFBDLO Cc1noc(C[NH+]2CCC(Oc3ccc(Cl)cn3)CC2)c1[N+](=O)[O-] ZINC000852163846 749791423 /nfs/dbraw/zinc/79/14/23/749791423.db2.gz KMDNVUAORPUMQM-UHFFFAOYSA-N 1 2 352.778 2.983 20 5 FFBDLO Cn1cc(C[NH+]2CCN(c3ccc(C(F)F)cc3[N+](=O)[O-])CC2)cn1 ZINC000853289722 750044038 /nfs/dbraw/zinc/04/40/38/750044038.db2.gz NBOHSBGPJBMUTI-UHFFFAOYSA-N 1 2 351.357 2.588 20 5 FFBDLO CCn1c[nH+]c2c1CCN(c1c3ccc(OC)cc3ncc1[N+](=O)[O-])C2 ZINC000896654899 971654611 /nfs/dbraw/zinc/65/46/11/971654611.db2.gz QFLXWKMRDSDDKA-UHFFFAOYSA-N 1 2 353.382 2.931 20 5 FFBDLO C[C@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872059256 1013137920 /nfs/dbraw/zinc/13/79/20/1013137920.db2.gz CFHBLTCUEOZQGU-BBRMVZONSA-N 1 2 372.400 2.971 20 5 FFBDLO COc1ncc([N+](=O)[O-])cc1-c1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001212968713 1013249453 /nfs/dbraw/zinc/24/94/53/1013249453.db2.gz QNOMACLQAULQLR-UHFFFAOYSA-N 1 2 364.321 2.901 20 5 FFBDLO O=[N+]([O-])c1cnc2ccc(F)cc2c1N1CC[NH+](Cc2ccncc2)CC1 ZINC000891535384 964439700 /nfs/dbraw/zinc/43/97/00/964439700.db2.gz MHNQTAGDIZLXQJ-UHFFFAOYSA-N 1 2 367.384 2.999 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@H](c2ccccn2)C1 ZINC001270394941 965034365 /nfs/dbraw/zinc/03/43/65/965034365.db2.gz GSFULDDWDATCNF-HNNXBMFYSA-N 1 2 363.377 2.805 20 5 FFBDLO Cc1nn(C[NH+]2CCC(C)(NC(=O)OC(C)(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000780496497 965089028 /nfs/dbraw/zinc/08/90/28/965089028.db2.gz UISSRIHGALLKIG-UHFFFAOYSA-N 1 2 367.450 2.745 20 5 FFBDLO COc1c(C(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000874890902 1013924168 /nfs/dbraw/zinc/92/41/68/1013924168.db2.gz BSIKYZDIQZYMKD-OAHLLOKOSA-N 1 2 359.357 2.529 20 5 FFBDLO C[C@@H](CNC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccccc1[N+](=O)[O-] ZINC000897071002 973220897 /nfs/dbraw/zinc/22/08/97/973220897.db2.gz LGXIKHPXMSMRLZ-AWEZNQCLSA-N 1 2 357.414 2.942 20 5 FFBDLO COc1cc(C[N@@H+]2CCCC[C@H]2COC(=O)N(C)C)c([N+](=O)[O-])cc1F ZINC000796554236 1014277066 /nfs/dbraw/zinc/27/70/66/1014277066.db2.gz ONVVKUHJIOJMBX-ZDUSSCGKSA-N 1 2 369.393 2.795 20 5 FFBDLO COc1cc(C[N@H+]2CCCC[C@H]2COC(=O)N(C)C)c([N+](=O)[O-])cc1F ZINC000796554236 1014277076 /nfs/dbraw/zinc/27/70/76/1014277076.db2.gz ONVVKUHJIOJMBX-ZDUSSCGKSA-N 1 2 369.393 2.795 20 5 FFBDLO Cc1cc([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)ccc1N1CCOCC1 ZINC000877195449 1014506610 /nfs/dbraw/zinc/50/66/10/1014506610.db2.gz ILZVVPUJFVZLMS-UHFFFAOYSA-N 1 2 357.414 2.752 20 5 FFBDLO Cn1nccc1[C@@H]1CCC[N@@H+]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000905734665 980501680 /nfs/dbraw/zinc/50/16/80/980501680.db2.gz GVXOQCQDQIHAIP-SFHVURJKSA-N 1 2 352.398 2.986 20 5 FFBDLO Cn1nccc1[C@@H]1CCC[N@H+]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000905734665 980501683 /nfs/dbraw/zinc/50/16/83/980501683.db2.gz GVXOQCQDQIHAIP-SFHVURJKSA-N 1 2 352.398 2.986 20 5 FFBDLO Cn1nccc1[C@H]1CCC[N@@H+]1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000905734377 980502043 /nfs/dbraw/zinc/50/20/43/980502043.db2.gz CPWVBYMIHVMUCR-GOSISDBHSA-N 1 2 352.398 2.986 20 5 FFBDLO Cn1nccc1[C@H]1CCC[N@H+]1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000905734377 980502050 /nfs/dbraw/zinc/50/20/50/980502050.db2.gz CPWVBYMIHVMUCR-GOSISDBHSA-N 1 2 352.398 2.986 20 5 FFBDLO COc1cccc(C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)c1[N+](=O)[O-] ZINC000192465178 981870894 /nfs/dbraw/zinc/87/08/94/981870894.db2.gz SBYAISVHDGBJHJ-UHFFFAOYSA-N 1 2 359.382 2.896 20 5 FFBDLO O=[N+]([O-])c1ccc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)c2nonc21 ZINC000914862574 987999738 /nfs/dbraw/zinc/99/97/38/987999738.db2.gz MYDRPXRYALZQGN-MRXNPFEDSA-N 1 2 369.381 2.616 20 5 FFBDLO C[C@@H](C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000373061785 990714233 /nfs/dbraw/zinc/71/42/33/990714233.db2.gz YUEDBYBGXNTSIH-OLZOCXBDSA-N 1 2 360.389 2.977 20 5 FFBDLO COc1ccccc1[C@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000879630248 1015617033 /nfs/dbraw/zinc/61/70/33/1015617033.db2.gz HKAHWSFXOJLHSE-PKOBYXMFSA-N 1 2 358.394 2.710 20 5 FFBDLO COc1ccccc1[C@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000879630248 1015617040 /nfs/dbraw/zinc/61/70/40/1015617040.db2.gz HKAHWSFXOJLHSE-PKOBYXMFSA-N 1 2 358.394 2.710 20 5 FFBDLO C[C@H](c1ccco1)[N@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000069069899 991575369 /nfs/dbraw/zinc/57/53/69/991575369.db2.gz YNZSKEXNQXXEJG-OAHLLOKOSA-N 1 2 372.425 2.529 20 5 FFBDLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000069069899 991575383 /nfs/dbraw/zinc/57/53/83/991575383.db2.gz YNZSKEXNQXXEJG-OAHLLOKOSA-N 1 2 372.425 2.529 20 5 FFBDLO C[C@@H]1C[C@@H](C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)CCC1=O ZINC000813173209 995635173 /nfs/dbraw/zinc/63/51/73/995635173.db2.gz VGPHMFJTHQKMFK-KMFMINBZSA-N 1 2 360.410 2.718 20 5 FFBDLO C[C@@H]1C[C@@H](C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)CCC1=O ZINC000813173209 995635178 /nfs/dbraw/zinc/63/51/78/995635178.db2.gz VGPHMFJTHQKMFK-KMFMINBZSA-N 1 2 360.410 2.718 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CCCC[C@@H]3C3OCCO3)c2)cc1 ZINC000742150337 999762049 /nfs/dbraw/zinc/76/20/49/999762049.db2.gz CYQJDGKMWWJNAK-QGZVFWFLSA-N 1 2 358.398 2.643 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3CCCC[C@@H]3C3OCCO3)c2)cc1 ZINC000742150337 999762051 /nfs/dbraw/zinc/76/20/51/999762051.db2.gz CYQJDGKMWWJNAK-QGZVFWFLSA-N 1 2 358.398 2.643 20 5 FFBDLO O=[N+]([O-])c1cn(C[NH+]2CCC(OCC3CC3)CC2)nc1-c1ccncc1 ZINC000743407417 999818555 /nfs/dbraw/zinc/81/85/55/999818555.db2.gz OTKQOXOXBKNIMG-UHFFFAOYSA-N 1 2 357.414 2.702 20 5 FFBDLO CC[N@@H+](Cc1ccc(C)cc1)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000746029778 999941822 /nfs/dbraw/zinc/94/18/22/999941822.db2.gz ZAFNNIIFAVGGLZ-UHFFFAOYSA-N 1 2 353.378 2.979 20 5 FFBDLO CC[N@H+](Cc1ccc(C)cc1)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000746029778 999941825 /nfs/dbraw/zinc/94/18/25/999941825.db2.gz ZAFNNIIFAVGGLZ-UHFFFAOYSA-N 1 2 353.378 2.979 20 5 FFBDLO CCCCOC(=O)[C@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785677453 1001466381 /nfs/dbraw/zinc/46/63/81/1001466381.db2.gz MQRPSZUTDGWXGX-LBPRGKRZSA-N 1 2 361.354 2.669 20 5 FFBDLO C[C@H]1C[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC2(CCOCC2)O1 ZINC000790383039 1002346756 /nfs/dbraw/zinc/34/67/56/1002346756.db2.gz APVJPIWWVINPOY-HNNXBMFYSA-N 1 2 372.425 2.686 20 5 FFBDLO C[C@H]1C[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC2(CCOCC2)O1 ZINC000790383039 1002346763 /nfs/dbraw/zinc/34/67/63/1002346763.db2.gz APVJPIWWVINPOY-HNNXBMFYSA-N 1 2 372.425 2.686 20 5 FFBDLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001183850015 1002411420 /nfs/dbraw/zinc/41/14/20/1002411420.db2.gz PTEQDJHJVYXLEP-GFCCVEGCSA-N 1 2 363.311 2.777 20 5 FFBDLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001183850015 1002411428 /nfs/dbraw/zinc/41/14/28/1002411428.db2.gz PTEQDJHJVYXLEP-GFCCVEGCSA-N 1 2 363.311 2.777 20 5 FFBDLO CCOC(=O)[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)CCC1(F)F ZINC001196564628 1003816927 /nfs/dbraw/zinc/81/69/27/1003816927.db2.gz YEVSUGVFYRTPDW-CYBMUJFWSA-N 1 2 358.341 2.624 20 5 FFBDLO CCOC(=O)[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)CCC1(F)F ZINC001196564628 1003816936 /nfs/dbraw/zinc/81/69/36/1003816936.db2.gz YEVSUGVFYRTPDW-CYBMUJFWSA-N 1 2 358.341 2.624 20 5 FFBDLO Cc1ccccc1C[N@@H+]1CCO[C@@H](c2noc(CCC(C)(C)[N+](=O)[O-])n2)C1 ZINC000867181703 1003827140 /nfs/dbraw/zinc/82/71/40/1003827140.db2.gz NNUYIKYBBXLXKV-MRXNPFEDSA-N 1 2 374.441 2.939 20 5 FFBDLO Cc1ccccc1C[N@H+]1CCO[C@@H](c2noc(CCC(C)(C)[N+](=O)[O-])n2)C1 ZINC000867181703 1003827158 /nfs/dbraw/zinc/82/71/58/1003827158.db2.gz NNUYIKYBBXLXKV-MRXNPFEDSA-N 1 2 374.441 2.939 20 5 FFBDLO COc1cc2c(cc1OC)[C@H](C1CC1)[N@H+](Cc1cn(C)nc1[N+](=O)[O-])CC2 ZINC001197701931 1004328805 /nfs/dbraw/zinc/32/88/05/1004328805.db2.gz QCIXTIJILWBXCV-SFHVURJKSA-N 1 2 372.425 2.855 20 5 FFBDLO COc1cc2c(cc1OC)[C@H](C1CC1)[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])CC2 ZINC001197701931 1004328814 /nfs/dbraw/zinc/32/88/14/1004328814.db2.gz QCIXTIJILWBXCV-SFHVURJKSA-N 1 2 372.425 2.855 20 5 FFBDLO CC[C@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCO[C@H](CC)C1 ZINC001137531558 1004582159 /nfs/dbraw/zinc/58/21/59/1004582159.db2.gz VSMHRIUYIKLTAY-GDBMZVCRSA-N 1 2 369.849 2.754 20 5 FFBDLO CC[C@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCO[C@H](CC)C1 ZINC001137531558 1004582166 /nfs/dbraw/zinc/58/21/66/1004582166.db2.gz VSMHRIUYIKLTAY-GDBMZVCRSA-N 1 2 369.849 2.754 20 5 FFBDLO CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776580354 1005960580 /nfs/dbraw/zinc/96/05/80/1005960580.db2.gz XDMWRDCDZUBOFU-QGZVFWFLSA-N 1 2 368.393 2.799 20 5 FFBDLO CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776580354 1005960583 /nfs/dbraw/zinc/96/05/83/1005960583.db2.gz XDMWRDCDZUBOFU-QGZVFWFLSA-N 1 2 368.393 2.799 20 5 FFBDLO COc1cccc([C@@H]2C[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CCO2)c1 ZINC000776586204 1005972113 /nfs/dbraw/zinc/97/21/13/1005972113.db2.gz KPXASTQDKDNMCR-MOPGFXCFSA-N 1 2 358.394 2.710 20 5 FFBDLO COc1cccc([C@@H]2C[N@@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CCO2)c1 ZINC000776586204 1005972124 /nfs/dbraw/zinc/97/21/24/1005972124.db2.gz KPXASTQDKDNMCR-MOPGFXCFSA-N 1 2 358.394 2.710 20 5 FFBDLO C[NH+](C)Cc1csc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)n1 ZINC001133874951 1006012044 /nfs/dbraw/zinc/01/20/44/1006012044.db2.gz VTNDCVMACCXATJ-UHFFFAOYSA-N 1 2 360.395 2.789 20 5 FFBDLO O=C(N[C@@H]1CCC[C@]12CCCO2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000882593129 1006450811 /nfs/dbraw/zinc/45/08/11/1006450811.db2.gz CTAMVSOTDBMHMC-AEFFLSMTSA-N 1 2 356.382 2.612 20 5 FFBDLO COC(=O)N1CCN(c2ccc(Nc3ccc(C)cc3[N+](=O)[O-])c[nH+]2)CC1 ZINC000814934778 1006471080 /nfs/dbraw/zinc/47/10/80/1006471080.db2.gz YTMYMGYFIMKPGK-UHFFFAOYSA-N 1 2 371.397 2.930 20 5 FFBDLO O=[N+]([O-])c1c2cccnc2ccc1N(CC[NH+]1CCOCC1)CC1CC1 ZINC000853905756 1006579360 /nfs/dbraw/zinc/57/93/60/1006579360.db2.gz HQFPVQXWSCIFKK-UHFFFAOYSA-N 1 2 356.426 2.692 20 5 FFBDLO C[NH+]1CCN(C2CCN(c3cccc(C(F)(F)F)c3[N+](=O)[O-])CC2)CC1 ZINC000884574107 1007481336 /nfs/dbraw/zinc/48/13/36/1007481336.db2.gz BASVZDPGASXASH-UHFFFAOYSA-N 1 2 372.391 2.830 20 5 FFBDLO Cc1c[nH+]c2c(c1)N(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)CCN2 ZINC000857994461 1008272206 /nfs/dbraw/zinc/27/22/06/1008272206.db2.gz FCMKGIXYIDRELD-UHFFFAOYSA-N 1 2 355.398 2.949 20 5 FFBDLO Cc1ccc(O[C@@H]2CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)nc1 ZINC000858040487 1008286071 /nfs/dbraw/zinc/28/60/71/1008286071.db2.gz OMBPELVIQATLKG-CQSZACIVSA-N 1 2 353.382 2.828 20 5 FFBDLO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)nc1 ZINC000858040487 1008286073 /nfs/dbraw/zinc/28/60/73/1008286073.db2.gz OMBPELVIQATLKG-CQSZACIVSA-N 1 2 353.382 2.828 20 5 FFBDLO CCOC(=O)C1=CC[C@H]([NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000858510329 1008371680 /nfs/dbraw/zinc/37/16/80/1008371680.db2.gz XHNGRHYOUOWEBQ-RDJZCZTQSA-N 1 2 370.409 2.659 20 5 FFBDLO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ocnc1C(F)F ZINC000860780171 1009149957 /nfs/dbraw/zinc/14/99/57/1009149957.db2.gz GVJHDPUKXGGBCS-LBPRGKRZSA-N 1 2 367.308 2.952 20 5 FFBDLO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ocnc1C(F)F ZINC000860780171 1009149962 /nfs/dbraw/zinc/14/99/62/1009149962.db2.gz GVJHDPUKXGGBCS-LBPRGKRZSA-N 1 2 367.308 2.952 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2c(C)n[nH]c2C)c([N+](=O)[O-])c1 ZINC000130542550 1009347021 /nfs/dbraw/zinc/34/70/21/1009347021.db2.gz RHERREIZTRRIES-HNNXBMFYSA-N 1 2 373.413 2.719 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2c(C)n[nH]c2C)c([N+](=O)[O-])c1 ZINC000130542550 1009347034 /nfs/dbraw/zinc/34/70/34/1009347034.db2.gz RHERREIZTRRIES-HNNXBMFYSA-N 1 2 373.413 2.719 20 5 FFBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000014307597 1010006251 /nfs/dbraw/zinc/00/62/51/1010006251.db2.gz JEKOPEMWMUSKPS-QGZVFWFLSA-N 1 2 351.362 2.985 20 5 FFBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000014307597 1010006265 /nfs/dbraw/zinc/00/62/65/1010006265.db2.gz JEKOPEMWMUSKPS-QGZVFWFLSA-N 1 2 351.362 2.985 20 5 FFBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000869108175 1011617427 /nfs/dbraw/zinc/61/74/27/1011617427.db2.gz MEAXMGNGZHNDJO-LJQANCHMSA-N 1 2 368.437 2.965 20 5 FFBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000869108175 1011617434 /nfs/dbraw/zinc/61/74/34/1011617434.db2.gz MEAXMGNGZHNDJO-LJQANCHMSA-N 1 2 368.437 2.965 20 5 FFBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CN1CCC2(CCOCC2)C1=O ZINC000777523886 1017270243 /nfs/dbraw/zinc/27/02/43/1017270243.db2.gz GFTIAEVNWLZXSR-UHFFFAOYSA-N 1 2 361.442 2.792 20 5 FFBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)CN1CCC2(CCOCC2)C1=O ZINC000777523886 1017270252 /nfs/dbraw/zinc/27/02/52/1017270252.db2.gz GFTIAEVNWLZXSR-UHFFFAOYSA-N 1 2 361.442 2.792 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000749661696 1021017820 /nfs/dbraw/zinc/01/78/20/1021017820.db2.gz HHSRWNYTXYMXNG-ROUUACIJSA-N 1 2 370.384 2.880 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000749661697 1021017848 /nfs/dbraw/zinc/01/78/48/1021017848.db2.gz HHSRWNYTXYMXNG-ZWKOTPCHSA-N 1 2 370.384 2.880 20 5 FFBDLO O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1O[C@H]1CC[NH2+]CC1(F)F ZINC001218012255 1032952329 /nfs/dbraw/zinc/95/23/29/1032952329.db2.gz NGCBQNCGKKTZPM-VIFPVBQESA-N 1 2 371.218 2.898 20 5 FFBDLO CCOC(=O)c1cc(C(=O)Nc2ccc(C)[nH+]c2N(C)C)cc([N+](=O)[O-])c1 ZINC000749990254 1021198484 /nfs/dbraw/zinc/19/84/84/1021198484.db2.gz HMFFNOKHQPLDIJ-UHFFFAOYSA-N 1 2 372.381 2.793 20 5 FFBDLO Cc1cc2nc3nc(=O)[nH]c(O[C@H]4CCC45CC[NH2+]CC5)c3nc2cc1C ZINC001218084123 1032986827 /nfs/dbraw/zinc/98/68/27/1032986827.db2.gz ZAGLSYJIEDPMJF-HNNXBMFYSA-N 1 2 365.437 2.806 20 5 FFBDLO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000935713669 1021836901 /nfs/dbraw/zinc/83/69/01/1021836901.db2.gz NBIHUPXSHYWAFJ-KZNAEPCWSA-N 1 2 353.378 2.773 20 5 FFBDLO CC(C)OC1CC[NH+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CC1 ZINC000752794103 1023205891 /nfs/dbraw/zinc/20/58/91/1023205891.db2.gz UMMDLESSBVWFSO-UHFFFAOYSA-N 1 2 362.430 2.684 20 5 FFBDLO O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1C[N@@H+]1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000755269138 1023585302 /nfs/dbraw/zinc/58/53/02/1023585302.db2.gz OMTGOXDZSPDTMC-HFZWIWRYSA-N 1 2 370.409 2.880 20 5 FFBDLO O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1C[N@H+]1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000755269138 1023585310 /nfs/dbraw/zinc/58/53/10/1023585310.db2.gz OMTGOXDZSPDTMC-HFZWIWRYSA-N 1 2 370.409 2.880 20 5 FFBDLO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](Cc2ccc(C3CCC3)cc2)C1 ZINC000950056123 1023694469 /nfs/dbraw/zinc/69/44/69/1023694469.db2.gz SYFAKDDPOJLGHJ-RTBURBONSA-N 1 2 357.454 2.652 20 5 FFBDLO O=C(NCCc1cccc(F)c1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001124559404 1024344998 /nfs/dbraw/zinc/34/49/98/1024344998.db2.gz NYHQNTROZYHIEW-UHFFFAOYSA-N 1 2 354.341 2.892 20 5 FFBDLO O=C(O[C@@H]1CC[N@H+](CCF)C1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000838875048 1026523735 /nfs/dbraw/zinc/52/37/35/1026523735.db2.gz UPGWKPBBDXQDSL-CQSZACIVSA-N 1 2 359.357 2.857 20 5 FFBDLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000838875048 1026523741 /nfs/dbraw/zinc/52/37/41/1026523741.db2.gz UPGWKPBBDXQDSL-CQSZACIVSA-N 1 2 359.357 2.857 20 5 FFBDLO [NH3+]Cc1cc(Br)ccc1Nc1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001161852139 1028334659 /nfs/dbraw/zinc/33/46/59/1028334659.db2.gz BLMRPBUZJYVNOY-UHFFFAOYSA-N 1 2 368.147 2.863 20 5 FFBDLO COc1cc[nH+]c(C(C)(C)CNc2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])c1 ZINC001162129742 1028445020 /nfs/dbraw/zinc/44/50/20/1028445020.db2.gz ORPGTLGYGNMJLQ-UHFFFAOYSA-N 1 2 352.778 2.675 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000780763474 1028798797 /nfs/dbraw/zinc/79/87/97/1028798797.db2.gz GLWWFXZESOIZDR-ZWKOTPCHSA-N 1 2 370.384 2.880 20 5 FFBDLO Cc1cccc(N2CCN(c3cc(/C=C/N(C)C)c([N+](=O)[O-])cn3)CC2)[nH+]1 ZINC001163666895 1029016707 /nfs/dbraw/zinc/01/67/07/1029016707.db2.gz YCDYFKZRTPETMA-BQYQJAHWSA-N 1 2 368.441 2.552 20 5 FFBDLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNc3nc(C)ccc3[N+](=O)[O-])C2)c1 ZINC001163938718 1029121415 /nfs/dbraw/zinc/12/14/15/1029121415.db2.gz KMVOIULDUWQFLM-KRWDZBQOSA-N 1 2 356.426 2.920 20 5 FFBDLO Cc1cccc(C[N@H+]2CCO[C@@H](CNc3nc(C)ccc3[N+](=O)[O-])C2)c1 ZINC001163938718 1029121425 /nfs/dbraw/zinc/12/14/25/1029121425.db2.gz KMVOIULDUWQFLM-KRWDZBQOSA-N 1 2 356.426 2.920 20 5 FFBDLO O=C(Nc1cccc(CCO)c1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001142094220 1030011246 /nfs/dbraw/zinc/01/12/46/1030011246.db2.gz SCTJPNMUEVHPIQ-UHFFFAOYSA-N 1 2 352.350 2.568 20 5 FFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000842616502 1030825983 /nfs/dbraw/zinc/82/59/83/1030825983.db2.gz DZLNPBCWOBZNEH-HNNXBMFYSA-N 1 2 355.350 2.614 20 5 FFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000842616502 1030826005 /nfs/dbraw/zinc/82/60/05/1030826005.db2.gz DZLNPBCWOBZNEH-HNNXBMFYSA-N 1 2 355.350 2.614 20 5 FFBDLO Cc1cccc(OS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000799792634 1031888172 /nfs/dbraw/zinc/88/81/72/1031888172.db2.gz CCRXWVXDDLAPCK-UHFFFAOYSA-N 1 2 373.390 2.916 20 5 FFBDLO COc1cc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1[N+](=O)[O-] ZINC001225434975 1034252602 /nfs/dbraw/zinc/25/26/02/1034252602.db2.gz BKUJFJCWEUUZKD-KRWDZBQOSA-N 1 2 358.394 2.883 20 5 FFBDLO COc1cc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1[N+](=O)[O-] ZINC001225434975 1034252610 /nfs/dbraw/zinc/25/26/10/1034252610.db2.gz BKUJFJCWEUUZKD-KRWDZBQOSA-N 1 2 358.394 2.883 20 5 FFBDLO CC1(C)[C@@H]2OCC[C@@H]2[C@@H]1OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835176625 1035602335 /nfs/dbraw/zinc/60/23/35/1035602335.db2.gz IFRAJMRIUWIUME-MAZHCROVSA-N 1 2 357.366 2.751 20 5 FFBDLO O=[N+]([O-])c1c[nH]c(OC2CC[NH+](CCc3ccccc3)CC2)c2ncnc1-2 ZINC001227691517 1035675160 /nfs/dbraw/zinc/67/51/60/1035675160.db2.gz PBFVVCNBCSCGFW-UHFFFAOYSA-N 1 2 367.409 2.952 20 5 FFBDLO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cnc(C2CC2)nc1 ZINC000835456878 1035777670 /nfs/dbraw/zinc/77/76/70/1035777670.db2.gz FJJSBVVGHZZCIY-KRWDZBQOSA-N 1 2 368.393 2.694 20 5 FFBDLO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cnc(C2CC2)nc1 ZINC000835456878 1035777687 /nfs/dbraw/zinc/77/76/87/1035777687.db2.gz FJJSBVVGHZZCIY-KRWDZBQOSA-N 1 2 368.393 2.694 20 5 FFBDLO Cc1cc2nc3nc(=O)[nH]c(O[C@@H]4C[C@H]5CC[C@@H](C4)[N@H+]5C)c3nc2cc1C ZINC001228687433 1036256354 /nfs/dbraw/zinc/25/63/54/1036256354.db2.gz WNWHYIVETNLIBD-BTTYYORXSA-N 1 2 365.437 2.899 20 5 FFBDLO Cc1cc2nc3nc(=O)[nH]c(O[C@@H]4C[C@H]5CC[C@@H](C4)[N@@H+]5C)c3nc2cc1C ZINC001228687433 1036256371 /nfs/dbraw/zinc/25/63/71/1036256371.db2.gz WNWHYIVETNLIBD-BTTYYORXSA-N 1 2 365.437 2.899 20 5 FFBDLO C[C@@H](C[NH+]1CCOCC1)Oc1c2ccccc2c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001229425251 1036667331 /nfs/dbraw/zinc/66/73/31/1036667331.db2.gz WOWWURPGORTFGJ-LBPRGKRZSA-N 1 2 361.354 2.756 20 5 FFBDLO Cc1cc(CNC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)cc(C)[nH+]1 ZINC001536673432 1070032710 /nfs/dbraw/zinc/03/27/10/1070032710.db2.gz BKHGDXKDTXCONI-UHFFFAOYSA-N 1 2 365.393 2.781 20 5 FFBDLO CC[N@@H+]1CCC[C@@H](Oc2c(O)ccc3c(=O)c4c(O)cc(O)cc4oc32)C1 ZINC001234750725 1037166102 /nfs/dbraw/zinc/16/61/02/1037166102.db2.gz NNLIUDYLLYSBBN-GFCCVEGCSA-N 1 2 371.389 2.926 20 5 FFBDLO Cc1c[nH+]cc(C)c1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC001537603729 1070218264 /nfs/dbraw/zinc/21/82/64/1070218264.db2.gz JCLCDLGAQKDIHR-UHFFFAOYSA-N 1 2 364.199 2.972 20 5 FFBDLO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC001247151344 1039637591 /nfs/dbraw/zinc/63/75/91/1039637591.db2.gz IPJVCYKLDXYQJF-LLVKDONJSA-N 1 2 370.344 2.958 20 5 FFBDLO CC1(C)CO[C@@H](CCNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC001537940885 1070297792 /nfs/dbraw/zinc/29/77/92/1070297792.db2.gz AZIXOIVOJVSNJI-AWEZNQCLSA-N 1 2 358.398 2.716 20 5 FFBDLO COC(=O)[C@H](CCc1ccccc1)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254578416 1040813211 /nfs/dbraw/zinc/81/32/11/1040813211.db2.gz KZMYZZPLBMCBAD-MJGOQNOKSA-N 1 2 354.406 2.826 20 5 FFBDLO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001330581300 1049215485 /nfs/dbraw/zinc/21/54/85/1049215485.db2.gz HRBRDRAKXVGRNX-KLPPZKSPSA-N 1 2 357.204 2.741 20 5 FFBDLO COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001330581300 1049215498 /nfs/dbraw/zinc/21/54/98/1049215498.db2.gz HRBRDRAKXVGRNX-KLPPZKSPSA-N 1 2 357.204 2.741 20 5 FFBDLO Cc1nc(N2CCN(c3ncc([N+](=O)[O-])c4ccccc43)CC2)cc[nH+]1 ZINC001331149837 1049488334 /nfs/dbraw/zinc/48/83/34/1049488334.db2.gz IWQIDCYWCIAPFA-UHFFFAOYSA-N 1 2 350.382 2.568 20 5 FFBDLO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)C1CC1 ZINC001296779281 1050093343 /nfs/dbraw/zinc/09/33/43/1050093343.db2.gz QAMQDLDLZVVFCF-GOSISDBHSA-N 1 2 369.421 2.941 20 5 FFBDLO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)C1CC1 ZINC001296779281 1050093347 /nfs/dbraw/zinc/09/33/47/1050093347.db2.gz QAMQDLDLZVVFCF-GOSISDBHSA-N 1 2 369.421 2.941 20 5 FFBDLO Cn1c[nH+]cc1CCCOC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001343732620 1052393822 /nfs/dbraw/zinc/39/38/22/1052393822.db2.gz HWBPIQFMSJYZIC-UHFFFAOYSA-N 1 2 355.297 2.719 20 5 FFBDLO COC(=O)C[C@@](C)([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1cccnc1 ZINC001308179667 1052427901 /nfs/dbraw/zinc/42/79/01/1052427901.db2.gz JSLCATHTWCNULN-GOSISDBHSA-N 1 2 359.382 2.567 20 5 FFBDLO Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2cccnc2)cc1[N+](=O)[O-] ZINC001348970778 1055026468 /nfs/dbraw/zinc/02/64/68/1055026468.db2.gz PHWIRRFCWRAJSQ-GOSISDBHSA-N 1 2 368.437 2.969 20 5 FFBDLO Cc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)cc1[N+](=O)[O-] ZINC001348970778 1055026484 /nfs/dbraw/zinc/02/64/84/1055026484.db2.gz PHWIRRFCWRAJSQ-GOSISDBHSA-N 1 2 368.437 2.969 20 5 FFBDLO O=C(NCc1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001357310785 1055862240 /nfs/dbraw/zinc/86/22/40/1055862240.db2.gz YSYVCFGIVHHISH-UHFFFAOYSA-N 1 2 367.321 2.619 20 5 FFBDLO Cc1ncc(CN(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)s1 ZINC001357872572 1056049779 /nfs/dbraw/zinc/04/97/79/1056049779.db2.gz TVINQVDDAZDILC-UHFFFAOYSA-N 1 2 357.395 2.818 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCSc2ncccc21 ZINC001353478659 1056440164 /nfs/dbraw/zinc/44/01/64/1056440164.db2.gz BITABHDJSGKLDH-UHFFFAOYSA-N 1 2 367.390 2.928 20 5 FFBDLO COc1cc(C(=O)NCc2ccccc2-n2cc[nH+]c2)c([N+](=O)[O-])cc1F ZINC001446984944 1058582446 /nfs/dbraw/zinc/58/24/46/1058582446.db2.gz BYTUIGMOZXSJAC-UHFFFAOYSA-N 1 2 370.340 2.858 20 5 FFBDLO CCOc1cc([N+](=O)[O-])c(C(=O)NCc2[nH]c3c([nH+]2)CCCC3)cc1OC ZINC001456254749 1060070142 /nfs/dbraw/zinc/07/01/42/1060070142.db2.gz YFFBWQYTWDLCSW-UHFFFAOYSA-N 1 2 374.397 2.534 20 5 FFBDLO COc1c(C(=O)NCCNc2cc(C)[nH+]c(C(C)C)n2)cccc1[N+](=O)[O-] ZINC000600363811 1060311789 /nfs/dbraw/zinc/31/17/89/1060311789.db2.gz BPDWGQCAAMTEPG-UHFFFAOYSA-N 1 2 373.413 2.667 20 5 FFBDLO O=C(Nc1cccc2nonc21)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001459956730 1060857834 /nfs/dbraw/zinc/85/78/34/1060857834.db2.gz CZRBMLQLXFALPO-UHFFFAOYSA-N 1 2 350.294 2.569 20 5 FFBDLO COc1cnc([C@@H]2CCC[N@@H+]2CCCOc2ccc([N+](=O)[O-])cc2)[nH]c1=O ZINC001460911754 1061147883 /nfs/dbraw/zinc/14/78/83/1061147883.db2.gz QRUZGLIBCLDFNE-HNNXBMFYSA-N 1 2 374.397 2.705 20 5 FFBDLO COc1cnc([C@@H]2CCC[N@H+]2CCCOc2ccc([N+](=O)[O-])cc2)[nH]c1=O ZINC001460911754 1061147888 /nfs/dbraw/zinc/14/78/88/1061147888.db2.gz QRUZGLIBCLDFNE-HNNXBMFYSA-N 1 2 374.397 2.705 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)cc1C ZINC001475653396 1061183281 /nfs/dbraw/zinc/18/32/81/1061183281.db2.gz KSHJEPASBHRBRT-MRXNPFEDSA-N 1 2 369.487 2.562 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@H+](C)[C@@H](C(C)(C)C)C2)cc1C ZINC001475653396 1061183289 /nfs/dbraw/zinc/18/32/89/1061183289.db2.gz KSHJEPASBHRBRT-MRXNPFEDSA-N 1 2 369.487 2.562 20 5 FFBDLO O=C(Nc1ccc2c(c1)NC(=O)C2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001462706677 1061737784 /nfs/dbraw/zinc/73/77/84/1061737784.db2.gz CBWWLLMTCOXRKV-UHFFFAOYSA-N 1 2 363.333 2.527 20 5 FFBDLO CNc1cc(CNC(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])cc[nH+]1 ZINC001477975357 1061857041 /nfs/dbraw/zinc/85/70/41/1061857041.db2.gz YZXBFELXMNXHGU-UHFFFAOYSA-N 1 2 372.429 2.641 20 5 FFBDLO Cc1ccc(NC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)c(N(C)C)[nH+]1 ZINC001435644205 1062532651 /nfs/dbraw/zinc/53/26/51/1062532651.db2.gz PFRLYDRQVKEYRW-UHFFFAOYSA-N 1 2 372.381 2.778 20 5 FFBDLO Cc1c(CC(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC001558211410 1075961334 /nfs/dbraw/zinc/96/13/34/1075961334.db2.gz DKPMMPRBCCEQNA-KRWDZBQOSA-N 1 2 357.385 2.758 20 5 FFBDLO Cc1n[nH]cc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001560053792 1076218387 /nfs/dbraw/zinc/21/83/87/1076218387.db2.gz JYDYOKPSTAJCQQ-JTQLQIEISA-N 1 2 351.794 2.739 20 5 FFBDLO Cc1n[nH]cc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001560053792 1076218392 /nfs/dbraw/zinc/21/83/92/1076218392.db2.gz JYDYOKPSTAJCQQ-JTQLQIEISA-N 1 2 351.794 2.739 20 5 FFBDLO COC(=O)COc1ccc(C[NH2+]Cc2ncc(Cl)s2)cc1[N+](=O)[O-] ZINC001560578484 1076281158 /nfs/dbraw/zinc/28/11/58/1076281158.db2.gz SZEPKQBFZCGPTR-UHFFFAOYSA-N 1 2 371.802 2.546 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[NH2+][C@@H](c3ccc(Cl)cc3)C2)n1 ZINC001586124766 1079552568 /nfs/dbraw/zinc/55/25/68/1079552568.db2.gz NXBSXUVNBZGRIE-MRXNPFEDSA-N 1 2 360.801 2.738 20 5 FFBDLO Cc1[nH]c(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])[nH+]c1C ZINC001587804889 1079868602 /nfs/dbraw/zinc/86/86/02/1079868602.db2.gz AKLPDHNCXUJORJ-UHFFFAOYSA-N 1 2 372.303 2.806 20 5 FFBDLO O=C(NCCCCNc1cccc[nH+]1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000105177235 250203700 /nfs/dbraw/zinc/20/37/00/250203700.db2.gz JUWRBWZOEBYYGF-UHFFFAOYSA-N 1 2 357.414 2.724 20 5 FFBDLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cc(F)ccc1[N+](=O)[O-] ZINC000132484909 251062484 /nfs/dbraw/zinc/06/24/84/251062484.db2.gz YODQSSCWOMWDBF-UHFFFAOYSA-N 1 2 359.357 2.818 20 5 FFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000275486193 256014456 /nfs/dbraw/zinc/01/44/56/256014456.db2.gz OXMZQQIWCPJOQZ-IINYFYTJSA-N 1 2 355.822 2.668 20 5 FFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000275486193 256014458 /nfs/dbraw/zinc/01/44/58/256014458.db2.gz OXMZQQIWCPJOQZ-IINYFYTJSA-N 1 2 355.822 2.668 20 5 FFBDLO CNC(=O)c1ccc(N2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)c([N+](=O)[O-])c1 ZINC000275498994 256016311 /nfs/dbraw/zinc/01/63/11/256016311.db2.gz CCDIHBNFEANFNW-MRXNPFEDSA-N 1 2 369.425 2.898 20 5 FFBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC000276055424 256069039 /nfs/dbraw/zinc/06/90/39/256069039.db2.gz JPWSKBRFJIVZRR-UHFFFAOYSA-N 1 2 362.411 2.737 20 5 FFBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@H]([C@@H](O)C(F)(F)F)C3)nc2c1 ZINC000277869172 256249611 /nfs/dbraw/zinc/24/96/11/256249611.db2.gz UQUJEVJPGSUADL-LKFCYVNXSA-N 1 2 359.304 2.871 20 5 FFBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H]([C@@H](O)C(F)(F)F)C3)nc2c1 ZINC000277869172 256249612 /nfs/dbraw/zinc/24/96/12/256249612.db2.gz UQUJEVJPGSUADL-LKFCYVNXSA-N 1 2 359.304 2.871 20 5 FFBDLO COc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc1[N+](=O)[O-] ZINC000278074515 256274021 /nfs/dbraw/zinc/27/40/21/256274021.db2.gz NLRWNMIOPKRZBV-SWLSCSKDSA-N 1 2 360.370 2.579 20 5 FFBDLO COc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc1[N+](=O)[O-] ZINC000278074515 256274023 /nfs/dbraw/zinc/27/40/23/256274023.db2.gz NLRWNMIOPKRZBV-SWLSCSKDSA-N 1 2 360.370 2.579 20 5 FFBDLO Cc1c[nH+]ccc1OC1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000278532563 256322721 /nfs/dbraw/zinc/32/27/21/256322721.db2.gz HVBSIGGNSCLHML-UHFFFAOYSA-N 1 2 357.366 2.687 20 5 FFBDLO Nc1ccc(NCc2ccccc2OCC[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000286091194 257019653 /nfs/dbraw/zinc/01/96/53/257019653.db2.gz DWTNTQXBPKRADJ-UHFFFAOYSA-N 1 2 372.425 2.500 20 5 FFBDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000286305657 257030364 /nfs/dbraw/zinc/03/03/64/257030364.db2.gz CQIJJNHLYZBDLX-CQSZACIVSA-N 1 2 362.304 2.531 20 5 FFBDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000286305657 257030365 /nfs/dbraw/zinc/03/03/65/257030365.db2.gz CQIJJNHLYZBDLX-CQSZACIVSA-N 1 2 362.304 2.531 20 5 FFBDLO Cc1ccc(C)c(S(=O)(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)c1[N+](=O)[O-] ZINC000288960525 257241604 /nfs/dbraw/zinc/24/16/04/257241604.db2.gz PXQQBTHEWOEXPG-LBPRGKRZSA-N 1 2 352.416 2.610 20 5 FFBDLO O=C(C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000289747214 257296979 /nfs/dbraw/zinc/29/69/79/257296979.db2.gz YMFXOBOHWWHAIL-PKOBYXMFSA-N 1 2 371.437 2.517 20 5 FFBDLO O=C(C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000289747214 257296980 /nfs/dbraw/zinc/29/69/80/257296980.db2.gz YMFXOBOHWWHAIL-PKOBYXMFSA-N 1 2 371.437 2.517 20 5 FFBDLO Cc1cnn([C@H]2CC[N@H+](CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C2)c1 ZINC000289790216 257299627 /nfs/dbraw/zinc/29/96/27/257299627.db2.gz HSKBACIBGIGJKI-ZDUSSCGKSA-N 1 2 363.805 2.639 20 5 FFBDLO Cc1cnn([C@H]2CC[N@@H+](CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C2)c1 ZINC000289790216 257299628 /nfs/dbraw/zinc/29/96/28/257299628.db2.gz HSKBACIBGIGJKI-ZDUSSCGKSA-N 1 2 363.805 2.639 20 5 FFBDLO COc1cc(C[N@@H+]2CCC3(C2)Oc2ccccc2O3)c([N+](=O)[O-])cc1OC ZINC000290133770 257316906 /nfs/dbraw/zinc/31/69/06/257316906.db2.gz JUCOCQJWQRAZEZ-UHFFFAOYSA-N 1 2 372.377 2.985 20 5 FFBDLO COc1cc(C[N@H+]2CCC3(C2)Oc2ccccc2O3)c([N+](=O)[O-])cc1OC ZINC000290133770 257316907 /nfs/dbraw/zinc/31/69/07/257316907.db2.gz JUCOCQJWQRAZEZ-UHFFFAOYSA-N 1 2 372.377 2.985 20 5 FFBDLO CN(C)c1ccc(Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])c[nH+]1 ZINC000301292443 258040074 /nfs/dbraw/zinc/04/00/74/258040074.db2.gz XDORVYZDMUSDLN-UHFFFAOYSA-N 1 2 366.381 2.764 20 5 FFBDLO O=[N+]([O-])c1cnc(NCc2ccc(N3CCc4ccccc4C3)[nH+]c2)nc1 ZINC000302163455 258092121 /nfs/dbraw/zinc/09/21/21/258092121.db2.gz QHAVQTAPCFTVRR-UHFFFAOYSA-N 1 2 362.393 2.955 20 5 FFBDLO C[C@@H]1C[NH+]=C(N2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)S1 ZINC000301602133 258058143 /nfs/dbraw/zinc/05/81/43/258058143.db2.gz VZJUXPWJMCFNSB-SNVBAGLBSA-N 1 2 372.397 2.810 20 5 FFBDLO Cc1nc(NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000301645516 258060307 /nfs/dbraw/zinc/06/03/07/258060307.db2.gz NNNGOLMJUOPASW-BETUJISGSA-N 1 2 357.414 2.919 20 5 FFBDLO CCNC(=O)C(C)(C)CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301800291 258068521 /nfs/dbraw/zinc/06/85/21/258068521.db2.gz VLLAWCJLPPLGTN-UHFFFAOYSA-N 1 2 357.414 2.934 20 5 FFBDLO Cc1cccn2cc(CNc3c([N+](=O)[O-])cc(CO)c(C)c3[N+](=O)[O-])[nH+]c12 ZINC000301981732 258080519 /nfs/dbraw/zinc/08/05/19/258080519.db2.gz HHKPXAOBVXGXCA-UHFFFAOYSA-N 1 2 371.353 2.872 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000330803472 258170960 /nfs/dbraw/zinc/17/09/60/258170960.db2.gz KDLNAAZVXLCWTR-IIYDPXPESA-N 1 2 365.430 2.676 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000330803472 258170961 /nfs/dbraw/zinc/17/09/61/258170961.db2.gz KDLNAAZVXLCWTR-IIYDPXPESA-N 1 2 365.430 2.676 20 5 FFBDLO Cc1cc(NC(=O)c2c([N+](=O)[O-])cnn2C)c[nH+]c1N1CCCC[C@H]1C ZINC000332169322 258217356 /nfs/dbraw/zinc/21/73/56/258217356.db2.gz VLXPKRATHGTELA-GFCCVEGCSA-N 1 2 358.402 2.663 20 5 FFBDLO Cc1nc(C)n(C[C@@H]2C[N@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CCO2)n1 ZINC000331733885 258198607 /nfs/dbraw/zinc/19/86/07/258198607.db2.gz RVAIQMYKLZIEMJ-DYVFJYSZSA-N 1 2 359.430 2.574 20 5 FFBDLO Cc1nc(C)n(C[C@@H]2C[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CCO2)n1 ZINC000331733885 258198608 /nfs/dbraw/zinc/19/86/08/258198608.db2.gz RVAIQMYKLZIEMJ-DYVFJYSZSA-N 1 2 359.430 2.574 20 5 FFBDLO Cc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)no1 ZINC000072751813 132303100 /nfs/dbraw/zinc/30/31/00/132303100.db2.gz NSUMKHUCOCBYLO-UHFFFAOYSA-N 1 2 353.382 2.762 20 5 FFBDLO Cc1cc(Br)cn2cc(CNc3ncc([N+](=O)[O-])s3)[nH+]c12 ZINC000409718995 512132712 /nfs/dbraw/zinc/13/27/12/512132712.db2.gz JBFYVVYSSHTICD-UHFFFAOYSA-N 1 2 368.216 2.804 20 5 FFBDLO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000065140617 506263224 /nfs/dbraw/zinc/26/32/24/506263224.db2.gz FKNGVYHPDQXDBD-XJKSGUPXSA-N 1 2 355.394 2.866 20 5 FFBDLO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000065140617 506263227 /nfs/dbraw/zinc/26/32/27/506263227.db2.gz FKNGVYHPDQXDBD-XJKSGUPXSA-N 1 2 355.394 2.866 20 5 FFBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000377207856 512166934 /nfs/dbraw/zinc/16/69/34/512166934.db2.gz ONPZHYVATGLYJA-MRXNPFEDSA-N 1 2 357.414 2.977 20 5 FFBDLO CCCNC(=O)CCNc1cc(CC)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000053576805 506409472 /nfs/dbraw/zinc/40/94/72/506409472.db2.gz XSSXHMQUNIATCD-UHFFFAOYSA-N 1 2 357.414 2.942 20 5 FFBDLO O=C(NCc1cn2ccccc2[nH+]1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000007944078 506605274 /nfs/dbraw/zinc/60/52/74/506605274.db2.gz ILSKPLRMYAPXRF-UHFFFAOYSA-N 1 2 351.366 2.747 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000043122039 506703478 /nfs/dbraw/zinc/70/34/78/506703478.db2.gz FRNIPQKVUFTNNL-UHFFFAOYSA-N 1 2 360.370 2.546 20 5 FFBDLO 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NTQWQZSDOIJVLZ-GOSISDBHSA-N 1 2 367.405 2.767 20 5 FFBDLO COc1ccccc1N1CC[C@@H]([N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1=O ZINC000153382635 508577929 /nfs/dbraw/zinc/57/79/29/508577929.db2.gz NTQWQZSDOIJVLZ-GOSISDBHSA-N 1 2 367.405 2.767 20 5 FFBDLO CC[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCN1CC(F)F ZINC000153740223 508639445 /nfs/dbraw/zinc/63/94/45/508639445.db2.gz IAHIXQNXIAJJLP-NSHDSACASA-N 1 2 354.357 2.897 20 5 FFBDLO CC[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCN1CC(F)F ZINC000153740223 508639450 /nfs/dbraw/zinc/63/94/50/508639450.db2.gz IAHIXQNXIAJJLP-NSHDSACASA-N 1 2 354.357 2.897 20 5 FFBDLO C[C@H](CC(=O)c1ccco1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000158219884 508673764 /nfs/dbraw/zinc/67/37/64/508673764.db2.gz GIKVFLZXAHMAMA-GFCCVEGCSA-N 1 2 368.349 2.765 20 5 FFBDLO COc1cc(C[NH+]2CCC(O)(C(F)(F)F)CC2)c([N+](=O)[O-])cc1OC ZINC000136859653 508721436 /nfs/dbraw/zinc/72/14/36/508721436.db2.gz MBTHGVUAAWUCHT-UHFFFAOYSA-N 1 2 364.320 2.501 20 5 FFBDLO O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1 ZINC000154619359 508820079 /nfs/dbraw/zinc/82/00/79/508820079.db2.gz JAKNQVLBPGZSSS-UHFFFAOYSA-N 1 2 369.385 2.749 20 5 FFBDLO CC(C)Cn1cc[nH+]c1CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000124736203 508877629 /nfs/dbraw/zinc/87/76/29/508877629.db2.gz TVGFADVLFZRSKP-UHFFFAOYSA-N 1 2 357.414 2.715 20 5 FFBDLO CC(C)Cn1cc[nH+]c1CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000131217366 508901256 /nfs/dbraw/zinc/90/12/56/508901256.db2.gz IUEBPXAFHSEYEK-UHFFFAOYSA-N 1 2 368.397 2.563 20 5 FFBDLO Cc1[nH+]c2ccccc2n1CCC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000120070506 508921344 /nfs/dbraw/zinc/92/13/44/508921344.db2.gz VKAMSUWKZXNEBD-UHFFFAOYSA-N 1 2 367.409 2.871 20 5 FFBDLO C[N@H+](CCS(C)(=O)=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000155149730 508934711 /nfs/dbraw/zinc/93/47/11/508934711.db2.gz QYSYNMKNEXXDAI-UHFFFAOYSA-N 1 2 354.453 2.800 20 5 FFBDLO C[N@@H+](CCS(C)(=O)=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000155149730 508934713 /nfs/dbraw/zinc/93/47/13/508934713.db2.gz QYSYNMKNEXXDAI-UHFFFAOYSA-N 1 2 354.453 2.800 20 5 FFBDLO O=C(C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)NCc1cccc(Cl)c1 ZINC000131464321 508936136 /nfs/dbraw/zinc/93/61/36/508936136.db2.gz GXPVAXFSDKEDGY-UHFFFAOYSA-N 1 2 359.813 2.923 20 5 FFBDLO O=C(C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)NCc1cccc(Cl)c1 ZINC000131464321 508936141 /nfs/dbraw/zinc/93/61/41/508936141.db2.gz GXPVAXFSDKEDGY-UHFFFAOYSA-N 1 2 359.813 2.923 20 5 FFBDLO CCOC(=O)c1cc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc([N+](=O)[O-])c1 ZINC000120165649 508941465 /nfs/dbraw/zinc/94/14/65/508941465.db2.gz VZHFAYBBGKDOPI-OAHLLOKOSA-N 1 2 372.381 2.862 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000155212792 508949442 /nfs/dbraw/zinc/94/94/42/508949442.db2.gz HMUWBDHEVBTEJQ-UHFFFAOYSA-N 1 2 356.382 2.696 20 5 FFBDLO Cc1sc(S(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000125317569 508964279 /nfs/dbraw/zinc/96/42/79/508964279.db2.gz INBVJXJEKAECFI-SNVBAGLBSA-N 1 2 356.429 2.604 20 5 FFBDLO O=C(NCCn1cc[nH+]c1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000126124325 509065338 /nfs/dbraw/zinc/06/53/38/509065338.db2.gz HDUHHNSULRMFLS-UHFFFAOYSA-N 1 2 365.393 2.833 20 5 FFBDLO O=C(Nc1ccc(CCO)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000126575873 509097815 /nfs/dbraw/zinc/09/78/15/509097815.db2.gz XKNLSADMHPDLPB-UHFFFAOYSA-N 1 2 352.350 2.568 20 5 FFBDLO COC(=O)[C@H](c1ccccc1C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000163163718 509346508 /nfs/dbraw/zinc/34/65/08/509346508.db2.gz KOQDCDRWKQOBLH-KSSFIOAISA-N 1 2 370.409 2.699 20 5 FFBDLO COC(=O)[C@H](c1ccccc1C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000163163718 509346515 /nfs/dbraw/zinc/34/65/15/509346515.db2.gz KOQDCDRWKQOBLH-KSSFIOAISA-N 1 2 370.409 2.699 20 5 FFBDLO COc1ccc(C[NH+]2CCN(c3nccc(C(C)C)n3)CC2)cc1[N+](=O)[O-] ZINC000185829772 509375985 /nfs/dbraw/zinc/37/59/85/509375985.db2.gz AZBKNWYGDRJYOE-UHFFFAOYSA-N 1 2 371.441 2.839 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@](C)(C(N)=O)c1ccccc1 ZINC000264214296 509387441 /nfs/dbraw/zinc/38/74/41/509387441.db2.gz TZQJPWIJNBSUHG-LJQANCHMSA-N 1 2 357.410 2.872 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179511797 509487565 /nfs/dbraw/zinc/48/75/65/509487565.db2.gz QUAHFHGGTSDDRO-ZDUSSCGKSA-N 1 2 357.414 2.979 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179511797 509487572 /nfs/dbraw/zinc/48/75/72/509487572.db2.gz QUAHFHGGTSDDRO-ZDUSSCGKSA-N 1 2 357.414 2.979 20 5 FFBDLO CCOC(=O)c1nn(C)cc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000186183107 509564169 /nfs/dbraw/zinc/56/41/69/509564169.db2.gz KLDRTYXAKBYEPR-UHFFFAOYSA-N 1 2 360.414 2.916 20 5 FFBDLO CCOC(=O)c1nn(C)cc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000186183107 509564172 /nfs/dbraw/zinc/56/41/72/509564172.db2.gz KLDRTYXAKBYEPR-UHFFFAOYSA-N 1 2 360.414 2.916 20 5 FFBDLO COc1ccc([C@H](CO)[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000173393850 509571749 /nfs/dbraw/zinc/57/17/49/509571749.db2.gz BAYXHZVAPVLFKT-SFHVURJKSA-N 1 2 373.409 2.516 20 5 FFBDLO COc1ccc([C@H](CO)[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000173393850 509571758 /nfs/dbraw/zinc/57/17/58/509571758.db2.gz BAYXHZVAPVLFKT-SFHVURJKSA-N 1 2 373.409 2.516 20 5 FFBDLO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000179899567 509666652 /nfs/dbraw/zinc/66/66/52/509666652.db2.gz SSIJSMCGYTYXBE-GFCCVEGCSA-N 1 2 373.384 2.982 20 5 FFBDLO C[C@@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](C(N)=O)C1 ZINC000250135557 509789550 /nfs/dbraw/zinc/78/95/50/509789550.db2.gz XZQOSZXVUFRBAQ-IAQYHMDHSA-N 1 2 360.439 2.804 20 5 FFBDLO C[C@@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](C(N)=O)C1 ZINC000250135557 509789560 /nfs/dbraw/zinc/78/95/60/509789560.db2.gz XZQOSZXVUFRBAQ-IAQYHMDHSA-N 1 2 360.439 2.804 20 5 FFBDLO C[C@H]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@H]1n1cc[nH+]c1 ZINC000268413246 509915309 /nfs/dbraw/zinc/91/53/09/509915309.db2.gz ZIOGESBFBOWTCO-KBXCAEBGSA-N 1 2 367.409 2.856 20 5 FFBDLO CSc1cccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC000186885814 509929953 /nfs/dbraw/zinc/92/99/53/509929953.db2.gz DGFUHDZTIUNIMK-GFCCVEGCSA-N 1 2 358.423 2.720 20 5 FFBDLO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000171145996 509969086 /nfs/dbraw/zinc/96/90/86/509969086.db2.gz FBDYAOICSPORRL-UHFFFAOYSA-N 1 2 361.427 2.791 20 5 FFBDLO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000171145996 509969095 /nfs/dbraw/zinc/96/90/95/509969095.db2.gz FBDYAOICSPORRL-UHFFFAOYSA-N 1 2 361.427 2.791 20 5 FFBDLO COC(=O)c1cc(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc(C)c1[N+](=O)[O-] ZINC000268502588 509973909 /nfs/dbraw/zinc/97/39/09/509973909.db2.gz SQQZNHJPOVFMOS-BLLLJJGKSA-N 1 2 358.398 2.974 20 5 FFBDLO CCOc1cccc(NCc2ccc[nH+]c2N2CCOCC2)c1[N+](=O)[O-] ZINC000184049593 510104902 /nfs/dbraw/zinc/10/49/02/510104902.db2.gz MROLKSKJUCNXTQ-UHFFFAOYSA-N 1 2 358.398 2.837 20 5 FFBDLO CNC(=O)Cc1nc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cs1 ZINC000177579109 510143146 /nfs/dbraw/zinc/14/31/46/510143146.db2.gz HWVJVLQZNKKPEF-UHFFFAOYSA-N 1 2 362.455 2.750 20 5 FFBDLO CNC(=O)Cc1nc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cs1 ZINC000177579109 510143153 /nfs/dbraw/zinc/14/31/53/510143153.db2.gz HWVJVLQZNKKPEF-UHFFFAOYSA-N 1 2 362.455 2.750 20 5 FFBDLO Cc1cc(N2CCOC3(CCOCC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000268932236 510144632 /nfs/dbraw/zinc/14/46/32/510144632.db2.gz CLQGMFKVTLYNIJ-UHFFFAOYSA-N 1 2 370.409 2.746 20 5 FFBDLO Cc1cc(N2CC[S@](=O)[C@@H](C)[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000265664901 510163475 /nfs/dbraw/zinc/16/34/75/510163475.db2.gz YBJMQZHQZKKQNY-IZEVZFMRSA-N 1 2 360.439 2.706 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1ccc(Cl)nc1 ZINC000174588757 510194695 /nfs/dbraw/zinc/19/46/95/510194695.db2.gz VIYUVOKRYPRVRW-UHFFFAOYSA-N 1 2 364.789 2.722 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000174588757 510194706 /nfs/dbraw/zinc/19/47/06/510194706.db2.gz VIYUVOKRYPRVRW-UHFFFAOYSA-N 1 2 364.789 2.722 20 5 FFBDLO COc1ccc(C[N@H+](C)[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1O ZINC000174630280 510216076 /nfs/dbraw/zinc/21/60/76/510216076.db2.gz XGUQNCCERGIXMI-INIZCTEOSA-N 1 2 371.393 2.546 20 5 FFBDLO COc1ccc(C[N@@H+](C)[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1O ZINC000174630280 510216083 /nfs/dbraw/zinc/21/60/83/510216083.db2.gz XGUQNCCERGIXMI-INIZCTEOSA-N 1 2 371.393 2.546 20 5 FFBDLO COc1cc(C[NH2+][C@H](C[S@](C)=O)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000184309795 510253953 /nfs/dbraw/zinc/25/39/53/510253953.db2.gz YWPFEMOTBVNEAN-BZQUYTCOSA-N 1 2 366.414 2.952 20 5 FFBDLO O=C1[C@H]([N@@H+]2CCC[C@@H](C(F)(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000246045931 510262761 /nfs/dbraw/zinc/26/27/61/510262761.db2.gz UCDAHWZWXIJJCD-BXUZGUMPSA-N 1 2 357.332 2.974 20 5 FFBDLO O=C1[C@H]([N@H+]2CCC[C@@H](C(F)(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000246045931 510262768 /nfs/dbraw/zinc/26/27/68/510262768.db2.gz UCDAHWZWXIJJCD-BXUZGUMPSA-N 1 2 357.332 2.974 20 5 FFBDLO O=C(NCC1(c2ccccn2)CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000184342202 510274201 /nfs/dbraw/zinc/27/42/01/510274201.db2.gz WMMXTNSKUANDDD-UHFFFAOYSA-N 1 2 363.377 2.637 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)c1 ZINC000266002978 510352733 /nfs/dbraw/zinc/35/27/33/510352733.db2.gz MBDSTONMZZIXQQ-LJQANCHMSA-N 1 2 369.421 2.707 20 5 FFBDLO Cc1cc(N2CCC[C@H](n3cncn3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000266104839 510411558 /nfs/dbraw/zinc/41/15/58/510411558.db2.gz LGIKTKVERHQCAF-INIZCTEOSA-N 1 2 365.397 2.793 20 5 FFBDLO COC[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(C)o1 ZINC000184741994 510495073 /nfs/dbraw/zinc/49/50/73/510495073.db2.gz JMJDEPLRVOMGQF-JKSUJKDBSA-N 1 2 359.382 2.579 20 5 FFBDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000270108367 510679546 /nfs/dbraw/zinc/67/95/46/510679546.db2.gz MRRJSKUTCKKRCV-ZDUSSCGKSA-N 1 2 353.382 2.886 20 5 FFBDLO Cc1cc(-n2cc[nH+]c2)ccc1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000191529675 510707103 /nfs/dbraw/zinc/70/71/03/510707103.db2.gz AHYWARZYZHVRBJ-UHFFFAOYSA-N 1 2 362.345 2.885 20 5 FFBDLO CN(CC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC000175663571 510719996 /nfs/dbraw/zinc/71/99/96/510719996.db2.gz QIYJGNUGJMCAQO-UHFFFAOYSA-N 1 2 365.393 2.533 20 5 FFBDLO CCCCc1[nH]c2ccc(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)cc2[nH+]1 ZINC000195262630 510745001 /nfs/dbraw/zinc/74/50/01/510745001.db2.gz KCFSMNACZOCODI-UHFFFAOYSA-N 1 2 369.381 2.614 20 5 FFBDLO C[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178895443 510825263 /nfs/dbraw/zinc/82/52/63/510825263.db2.gz RMDJVGUPVNOOCG-CYBMUJFWSA-N 1 2 366.377 2.847 20 5 FFBDLO COC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000247153183 510846171 /nfs/dbraw/zinc/84/61/71/510846171.db2.gz YOJXPZKHTMDWPR-NWDGAFQWSA-N 1 2 355.822 2.934 20 5 FFBDLO COC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000247153183 510846175 /nfs/dbraw/zinc/84/61/75/510846175.db2.gz YOJXPZKHTMDWPR-NWDGAFQWSA-N 1 2 355.822 2.934 20 5 FFBDLO O=C(C[NH+]1CCC(c2cn[nH]c2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000364631797 510983203 /nfs/dbraw/zinc/98/32/03/510983203.db2.gz PDQJELOHJUCRCH-UHFFFAOYSA-N 1 2 363.805 2.789 20 5 FFBDLO CN(C)C(=O)C1([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCCCC1 ZINC000295152691 511301796 /nfs/dbraw/zinc/30/17/96/511301796.db2.gz NSIYFTHNJIFYHT-UHFFFAOYSA-N 1 2 373.413 2.526 20 5 FFBDLO CCC(=O)c1ccc(NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000280020247 511306284 /nfs/dbraw/zinc/30/62/84/511306284.db2.gz JUFRMKNWSVTGED-GOSISDBHSA-N 1 2 362.474 2.871 20 5 FFBDLO C[C@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC[N@@H+](C2CC2)C1 ZINC000295532754 511437046 /nfs/dbraw/zinc/43/70/46/511437046.db2.gz JTDXJORELXNKSC-CYBMUJFWSA-N 1 2 369.425 2.541 20 5 FFBDLO C[C@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC[N@H+](C2CC2)C1 ZINC000295532754 511437052 /nfs/dbraw/zinc/43/70/52/511437052.db2.gz JTDXJORELXNKSC-CYBMUJFWSA-N 1 2 369.425 2.541 20 5 FFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000280582546 511519936 /nfs/dbraw/zinc/51/99/36/511519936.db2.gz SWXIESIBEHWVBB-FHSNZYRGSA-N 1 2 374.397 2.586 20 5 FFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000280582546 511519939 /nfs/dbraw/zinc/51/99/39/511519939.db2.gz SWXIESIBEHWVBB-FHSNZYRGSA-N 1 2 374.397 2.586 20 5 FFBDLO CCn1ccnc1[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000280976465 511674981 /nfs/dbraw/zinc/67/49/81/511674981.db2.gz KXFDZUQITOYLSW-WBVHZDCISA-N 1 2 374.441 2.778 20 5 FFBDLO CCn1ccnc1[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000280976465 511674984 /nfs/dbraw/zinc/67/49/84/511674984.db2.gz KXFDZUQITOYLSW-WBVHZDCISA-N 1 2 374.441 2.778 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000301398547 511696373 /nfs/dbraw/zinc/69/63/73/511696373.db2.gz IUEKHRGTNTZWFB-KGLIPLIRSA-N 1 2 371.393 2.694 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000301398547 511696383 /nfs/dbraw/zinc/69/63/83/511696383.db2.gz IUEKHRGTNTZWFB-KGLIPLIRSA-N 1 2 371.393 2.694 20 5 FFBDLO CCn1cc[nH+]c1CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000296471568 511756566 /nfs/dbraw/zinc/75/65/66/511756566.db2.gz QIQVLFRVTDYKEL-UHFFFAOYSA-N 1 2 355.301 2.734 20 5 FFBDLO Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000281308684 511798059 /nfs/dbraw/zinc/79/80/59/511798059.db2.gz QFVAJXONBCKCLB-QGZVFWFLSA-N 1 2 358.398 2.922 20 5 FFBDLO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000281308684 511798064 /nfs/dbraw/zinc/79/80/64/511798064.db2.gz QFVAJXONBCKCLB-QGZVFWFLSA-N 1 2 358.398 2.922 20 5 FFBDLO Cc1cc(OCC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000281477075 511861348 /nfs/dbraw/zinc/86/13/48/511861348.db2.gz SPHIEMDYXBYOLS-CXAGYDPISA-N 1 2 358.398 2.588 20 5 FFBDLO O=[N+]([O-])c1ccc(Br)c2c1CN(CCn1cc[nH+]c1)CC2 ZINC000284812929 511880339 /nfs/dbraw/zinc/88/03/39/511880339.db2.gz PIPJNYANHGRVKQ-UHFFFAOYSA-N 1 2 351.204 2.612 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1-c1noc(-c2[nH+]c(C3CC3)n3ccccc23)n1 ZINC000350899263 511903800 /nfs/dbraw/zinc/90/38/00/511903800.db2.gz KBCLYMDDCJZMDK-UHFFFAOYSA-N 1 2 351.326 2.570 20 5 FFBDLO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000274840580 511959145 /nfs/dbraw/zinc/95/91/45/511959145.db2.gz WAYUOEITQLJKGI-UHFFFAOYSA-N 1 2 362.817 2.770 20 5 FFBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000281930319 512014928 /nfs/dbraw/zinc/01/49/28/512014928.db2.gz VYTWZFUQMUHTIK-ZDUSSCGKSA-N 1 2 372.381 2.907 20 5 FFBDLO CC(C)[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1nncn1C ZINC000285268472 512059065 /nfs/dbraw/zinc/05/90/65/512059065.db2.gz DOACPBQCMZOLKQ-HNNXBMFYSA-N 1 2 356.386 2.865 20 5 FFBDLO Cc1cc(C)c(NC(=O)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000411177130 512504697 /nfs/dbraw/zinc/50/46/97/512504697.db2.gz HDFFGVZOEOIPLA-GFCCVEGCSA-N 1 2 356.382 2.731 20 5 FFBDLO O=C1[C@H]([N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCN1c1ccc(F)cc1 ZINC000411331225 512583723 /nfs/dbraw/zinc/58/37/23/512583723.db2.gz LOOOOMZCRLJXMR-GOSISDBHSA-N 1 2 355.369 2.898 20 5 FFBDLO O=C1[C@H]([N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCN1c1ccc(F)cc1 ZINC000411331225 512583724 /nfs/dbraw/zinc/58/37/24/512583724.db2.gz LOOOOMZCRLJXMR-GOSISDBHSA-N 1 2 355.369 2.898 20 5 FFBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000369820284 512628929 /nfs/dbraw/zinc/62/89/29/512628929.db2.gz ULHKMRJQSDQGJJ-HNNXBMFYSA-N 1 2 371.441 2.535 20 5 FFBDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000378197259 512635320 /nfs/dbraw/zinc/63/53/20/512635320.db2.gz WXPHNHSAEXGVIO-CYBMUJFWSA-N 1 2 369.425 2.596 20 5 FFBDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000378197259 512635321 /nfs/dbraw/zinc/63/53/21/512635321.db2.gz WXPHNHSAEXGVIO-CYBMUJFWSA-N 1 2 369.425 2.596 20 5 FFBDLO COC(=O)C1([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCCCCC1 ZINC000411452211 512642201 /nfs/dbraw/zinc/64/22/01/512642201.db2.gz ZOUGDRGTGDVENC-UHFFFAOYSA-N 1 2 363.414 2.779 20 5 FFBDLO Cc1cc(C)c(NC(=O)C(=O)N(C)CCc2ccccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000411543189 512682091 /nfs/dbraw/zinc/68/20/91/512682091.db2.gz ZUXGKRGSDVBSAI-UHFFFAOYSA-N 1 2 370.409 2.555 20 5 FFBDLO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000378410278 512745473 /nfs/dbraw/zinc/74/54/73/512745473.db2.gz GQWKCBNSIHJIDG-HNNXBMFYSA-N 1 2 355.398 2.895 20 5 FFBDLO Cc1cn2c([nH+]1)[C@@H](CNc1cc3c(cc1[N+](=O)[O-])CCC(=O)N3)CCC2 ZINC000376636789 512911627 /nfs/dbraw/zinc/91/16/27/512911627.db2.gz LLDWKRQKDDCILQ-CYBMUJFWSA-N 1 2 355.398 2.974 20 5 FFBDLO Nc1ncnc2sc3c(c21)CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C3 ZINC000368394002 512929193 /nfs/dbraw/zinc/92/91/93/512929193.db2.gz MFSBWUQLDSHORI-UHFFFAOYSA-N 1 2 371.422 2.619 20 5 FFBDLO Nc1ncnc2sc3c(c21)CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C3 ZINC000368394002 512929198 /nfs/dbraw/zinc/92/91/98/512929198.db2.gz MFSBWUQLDSHORI-UHFFFAOYSA-N 1 2 371.422 2.619 20 5 FFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000403880248 512967312 /nfs/dbraw/zinc/96/73/12/512967312.db2.gz KFFKFGKRRMOWOB-JTQLQIEISA-N 1 2 365.174 2.807 20 5 FFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000403880248 512967314 /nfs/dbraw/zinc/96/73/14/512967314.db2.gz KFFKFGKRRMOWOB-JTQLQIEISA-N 1 2 365.174 2.807 20 5 FFBDLO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1ccc([N+](=O)[O-])cn1 ZINC000370513744 512972879 /nfs/dbraw/zinc/97/28/79/512972879.db2.gz KQVPESGXJSOAQR-UHFFFAOYSA-N 1 2 355.398 2.695 20 5 FFBDLO CC(C)c1nnc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[nH]1 ZINC000450298917 513130117 /nfs/dbraw/zinc/13/01/17/513130117.db2.gz OAOYKPHOAUOXLE-LLVKDONJSA-N 1 2 369.385 2.513 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC3(CC2)CCS(=O)(=O)CC3)c(F)c1 ZINC000428708485 513171084 /nfs/dbraw/zinc/17/10/84/513171084.db2.gz NLQQFQPGKNPVRB-UHFFFAOYSA-N 1 2 356.419 2.525 20 5 FFBDLO CCN1CCN(c2nccc3cc([N+](=O)[O-])ccc32)C[C@@H]1c1[nH]cc[nH+]1 ZINC000450493698 513220216 /nfs/dbraw/zinc/22/02/16/513220216.db2.gz FTXHKKKPRIQXMD-MRXNPFEDSA-N 1 2 352.398 2.749 20 5 FFBDLO C[C@H]1C[C@H](CCNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCO1 ZINC000450560115 513252132 /nfs/dbraw/zinc/25/21/32/513252132.db2.gz SNVZLZADYQCVRE-UONOGXRCSA-N 1 2 358.398 2.716 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000421483174 513280740 /nfs/dbraw/zinc/28/07/40/513280740.db2.gz USDNQEZEBRLXSI-MRXNPFEDSA-N 1 2 361.442 2.539 20 5 FFBDLO COc1cc(-c2noc(C[NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)n2)ncn1 ZINC000450680949 513301511 /nfs/dbraw/zinc/30/15/11/513301511.db2.gz LRGZWMHFHXAZAY-LLVKDONJSA-N 1 2 370.369 2.603 20 5 FFBDLO CCOC(=O)c1cc(C(=O)NCc2cc(C)[nH+]c(C)c2)cc([N+](=O)[O-])c1 ZINC000421560607 513309217 /nfs/dbraw/zinc/30/92/17/513309217.db2.gz QWZNRHICKSWEMX-UHFFFAOYSA-N 1 2 357.366 2.713 20 5 FFBDLO COC1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCCCC1 ZINC000450718209 513314523 /nfs/dbraw/zinc/31/45/23/513314523.db2.gz NFEILAGZRJTOEC-UHFFFAOYSA-N 1 2 358.398 2.860 20 5 FFBDLO CO[C@@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1(C)C ZINC000450764737 513330195 /nfs/dbraw/zinc/33/01/95/513330195.db2.gz WGLKCXZIKFAEIN-GOSISDBHSA-N 1 2 363.458 2.678 20 5 FFBDLO CCNC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000425366432 513530350 /nfs/dbraw/zinc/53/03/50/513530350.db2.gz PUJBNYWMISAVGC-LJQANCHMSA-N 1 2 353.422 2.966 20 5 FFBDLO CCNC(=O)[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000425366432 513530359 /nfs/dbraw/zinc/53/03/59/513530359.db2.gz PUJBNYWMISAVGC-LJQANCHMSA-N 1 2 353.422 2.966 20 5 FFBDLO C[C@](O)(CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CCCCC1 ZINC000451126456 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RBSXROANJFQEPC-SFHVURJKSA-N 1 2 365.389 2.593 20 5 FFBDLO CCO[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000451544668 513823374 /nfs/dbraw/zinc/82/33/74/513823374.db2.gz QDVHSYOSKWQITH-NHYWBVRUSA-N 1 2 355.822 2.934 20 5 FFBDLO CCO[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000451544668 513823382 /nfs/dbraw/zinc/82/33/82/513823382.db2.gz QDVHSYOSKWQITH-NHYWBVRUSA-N 1 2 355.822 2.934 20 5 FFBDLO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3nnnn3-c3ccccc3)C2)cc1 ZINC000451574752 513843818 /nfs/dbraw/zinc/84/38/18/513843818.db2.gz RYVFBOIGKIVPQU-INIZCTEOSA-N 1 2 364.409 2.950 20 5 FFBDLO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3nnnn3-c3ccccc3)C2)cc1 ZINC000451574752 513843829 /nfs/dbraw/zinc/84/38/29/513843829.db2.gz RYVFBOIGKIVPQU-INIZCTEOSA-N 1 2 364.409 2.950 20 5 FFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(O)(C(F)F)CC1 ZINC000426261922 513888106 /nfs/dbraw/zinc/88/81/06/513888106.db2.gz UDIJMCKFJXAPKD-SNVBAGLBSA-N 1 2 368.340 2.798 20 5 FFBDLO Cc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)[NH+]2CCCC2)o1 ZINC000436871072 514016680 /nfs/dbraw/zinc/01/66/80/514016680.db2.gz RXGYPVXKBWWTDK-HNNXBMFYSA-N 1 2 359.382 2.769 20 5 FFBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000436929111 514036871 /nfs/dbraw/zinc/03/68/71/514036871.db2.gz UNOLPHBTBWANDD-ZBFHGGJFSA-N 1 2 369.421 2.941 20 5 FFBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000436929111 514036878 /nfs/dbraw/zinc/03/68/78/514036878.db2.gz UNOLPHBTBWANDD-ZBFHGGJFSA-N 1 2 369.421 2.941 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@@H]([C@@H](O)C(F)(F)F)C3)co2)cc1 ZINC000451881234 514041290 /nfs/dbraw/zinc/04/12/90/514041290.db2.gz BEAHTSKSHZEELJ-BXUZGUMPSA-N 1 2 371.315 2.995 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@@H]([C@@H](O)C(F)(F)F)C3)co2)cc1 ZINC000451881234 514041295 /nfs/dbraw/zinc/04/12/95/514041295.db2.gz BEAHTSKSHZEELJ-BXUZGUMPSA-N 1 2 371.315 2.995 20 5 FFBDLO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000436959042 514050897 /nfs/dbraw/zinc/05/08/97/514050897.db2.gz LIAMSNQORAISHD-DZGCQCFKSA-N 1 2 355.394 2.866 20 5 FFBDLO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000436959042 514050902 /nfs/dbraw/zinc/05/09/02/514050902.db2.gz LIAMSNQORAISHD-DZGCQCFKSA-N 1 2 355.394 2.866 20 5 FFBDLO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1O ZINC000436958612 514051387 /nfs/dbraw/zinc/05/13/87/514051387.db2.gz BRZUEGOTVVURHE-UHFFFAOYSA-N 1 2 369.421 2.942 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451901935 514056446 /nfs/dbraw/zinc/05/64/46/514056446.db2.gz BYYFYUVPSZUIFR-AWEZNQCLSA-N 1 2 359.213 2.632 20 5 FFBDLO COc1ccc2[nH+]c(C)nc(NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)c2c1 ZINC000443954838 514082250 /nfs/dbraw/zinc/08/22/50/514082250.db2.gz DZKYJAIGIRPOBL-UHFFFAOYSA-N 1 2 364.365 2.765 20 5 FFBDLO Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c2c([nH+]1)CCCC2 ZINC000414476004 514142044 /nfs/dbraw/zinc/14/20/44/514142044.db2.gz ZBXRTGQISHDBMF-UHFFFAOYSA-N 1 2 365.386 2.539 20 5 FFBDLO Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)n(-c2cc[nH+]cc2)n1 ZINC000437343263 514143391 /nfs/dbraw/zinc/14/33/91/514143391.db2.gz PKQOHZZRHCPYSJ-UHFFFAOYSA-N 1 2 373.394 2.593 20 5 FFBDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444290374 514182802 /nfs/dbraw/zinc/18/28/02/514182802.db2.gz PBBOIEOLZGCQST-QWHCGFSZSA-N 1 2 367.424 2.985 20 5 FFBDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444290374 514182807 /nfs/dbraw/zinc/18/28/07/514182807.db2.gz PBBOIEOLZGCQST-QWHCGFSZSA-N 1 2 367.424 2.985 20 5 FFBDLO NC(=O)c1cccc([N+](=O)[O-])c1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000420602820 514197157 /nfs/dbraw/zinc/19/71/57/514197157.db2.gz PIUUQHJOYGWFNC-UHFFFAOYSA-N 1 2 374.828 2.669 20 5 FFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000449553518 514251193 /nfs/dbraw/zinc/25/11/93/514251193.db2.gz MVNMTINHXCYQLD-KAPURRDVSA-N 1 2 364.467 2.899 20 5 FFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000449553518 514251200 /nfs/dbraw/zinc/25/12/00/514251200.db2.gz MVNMTINHXCYQLD-KAPURRDVSA-N 1 2 364.467 2.899 20 5 FFBDLO C[S@](=O)C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000444677788 514290950 /nfs/dbraw/zinc/29/09/50/514290950.db2.gz VDWZFBXFYVIIDW-CPJLOUKISA-N 1 2 358.423 2.681 20 5 FFBDLO CC1(C)[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@H]2CCCO[C@H]21 ZINC000449944838 514435922 /nfs/dbraw/zinc/43/59/22/514435922.db2.gz LASJEZPGDLBVOH-KBRIMQKVSA-N 1 2 370.409 2.714 20 5 FFBDLO CCO[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000452813229 514504116 /nfs/dbraw/zinc/50/41/16/514504116.db2.gz ASJOSBIVMUPVKI-SUMWQHHRSA-N 1 2 358.398 2.668 20 5 FFBDLO CCOc1ccc(C(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000452856165 514520753 /nfs/dbraw/zinc/52/07/53/514520753.db2.gz YPKHUOOQIOPSLF-HNNXBMFYSA-N 1 2 358.398 2.950 20 5 FFBDLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452871119 514527082 /nfs/dbraw/zinc/52/70/82/514527082.db2.gz ZZTMGTOPEWCNHB-JKSUJKDBSA-N 1 2 354.410 2.760 20 5 FFBDLO O=C(NCCc1ccccc1[N+](=O)[O-])NCc1cccc(-n2cc[nH+]c2)c1 ZINC000466011054 514539002 /nfs/dbraw/zinc/53/90/02/514539002.db2.gz BNHOEYZDLPYACK-UHFFFAOYSA-N 1 2 365.393 2.822 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCOCc2ccccc21 ZINC000470635229 514558192 /nfs/dbraw/zinc/55/81/92/514558192.db2.gz JJZLDHRXSZLGPZ-UHFFFAOYSA-N 1 2 364.361 2.958 20 5 FFBDLO Cc1[nH+]c2ccc(C(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)cc2n1C ZINC000461397039 514592125 /nfs/dbraw/zinc/59/21/25/514592125.db2.gz RMXFTZAWIATIGD-UHFFFAOYSA-N 1 2 366.377 2.825 20 5 FFBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cccc([N+](=O)[O-])c2OC)c1C ZINC000475377382 514641122 /nfs/dbraw/zinc/64/11/22/514641122.db2.gz AFHWMMNLYWDHJY-UHFFFAOYSA-N 1 2 359.382 2.896 20 5 FFBDLO COc1cc(C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000489106832 514712044 /nfs/dbraw/zinc/71/20/44/514712044.db2.gz QYPIKQWYKUTWQT-KRWDZBQOSA-N 1 2 355.394 2.667 20 5 FFBDLO COc1cc(C[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000489106832 514712055 /nfs/dbraw/zinc/71/20/55/514712055.db2.gz QYPIKQWYKUTWQT-KRWDZBQOSA-N 1 2 355.394 2.667 20 5 FFBDLO CCOc1cc(C[N@@H+]2CCN(CC)[C@@H](c3ncc[nH]3)C2)ccc1[N+](=O)[O-] ZINC000471061658 514736311 /nfs/dbraw/zinc/73/63/11/514736311.db2.gz HVJUKGVGSBPWNP-MRXNPFEDSA-N 1 2 359.430 2.595 20 5 FFBDLO CCOc1cc(C[N@H+]2CCN(CC)[C@@H](c3ncc[nH]3)C2)ccc1[N+](=O)[O-] ZINC000471061658 514736322 /nfs/dbraw/zinc/73/63/22/514736322.db2.gz HVJUKGVGSBPWNP-MRXNPFEDSA-N 1 2 359.430 2.595 20 5 FFBDLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498152070 514781782 /nfs/dbraw/zinc/78/17/82/514781782.db2.gz GPRZJQDGBQTVPJ-SUMWQHHRSA-N 1 2 358.423 2.628 20 5 FFBDLO COc1cc(C[NH2+]Cc2ccn(C)n2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000498358454 514880455 /nfs/dbraw/zinc/88/04/55/514880455.db2.gz DJUVSXYQSOJMQW-UHFFFAOYSA-N 1 2 374.319 2.568 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000503077567 514909569 /nfs/dbraw/zinc/90/95/69/514909569.db2.gz ZZKGGFRVCDNWEX-BBRMVZONSA-N 1 2 357.414 2.621 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000503077567 514909578 /nfs/dbraw/zinc/90/95/78/514909578.db2.gz ZZKGGFRVCDNWEX-BBRMVZONSA-N 1 2 357.414 2.621 20 5 FFBDLO COc1cc(C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000485717041 515156955 /nfs/dbraw/zinc/15/69/55/515156955.db2.gz NFDFPGOEWQSXHU-UHFFFAOYSA-N 1 2 369.421 2.952 20 5 FFBDLO COc1cc(C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000485717041 515156963 /nfs/dbraw/zinc/15/69/63/515156963.db2.gz NFDFPGOEWQSXHU-UHFFFAOYSA-N 1 2 369.421 2.952 20 5 FFBDLO Cc1[nH+]c2ccc(C(=O)N3CC(Oc4ccc([N+](=O)[O-])cc4)C3)cc2n1C ZINC000476954904 515263117 /nfs/dbraw/zinc/26/31/17/515263117.db2.gz XGLPVVZOJZIPGX-UHFFFAOYSA-N 1 2 366.377 2.693 20 5 FFBDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H](C)O1 ZINC000485988463 515288328 /nfs/dbraw/zinc/28/83/28/515288328.db2.gz ICMDEGRCTMVJJH-STQMWFEESA-N 1 2 358.398 2.784 20 5 FFBDLO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000481315075 515288970 /nfs/dbraw/zinc/28/89/70/515288970.db2.gz XZOFFHHUDVFOJW-UHFFFAOYSA-N 1 2 354.370 2.657 20 5 FFBDLO Cc1[nH+]c2cc(NC(=O)Cc3cccc([N+](=O)[O-])c3)ccc2n1[C@@H](C)CO ZINC000456703940 515365083 /nfs/dbraw/zinc/36/50/83/515365083.db2.gz HOYOCSLMXSINDL-LBPRGKRZSA-N 1 2 368.393 2.987 20 5 FFBDLO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000481724744 515440415 /nfs/dbraw/zinc/44/04/15/515440415.db2.gz NRNXKBMHWNUPED-KGLIPLIRSA-N 1 2 356.806 2.791 20 5 FFBDLO CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000481724744 515440424 /nfs/dbraw/zinc/44/04/24/515440424.db2.gz NRNXKBMHWNUPED-KGLIPLIRSA-N 1 2 356.806 2.791 20 5 FFBDLO Cc1ccn2cc(CNc3ccc([N+](=O)[O-])cc3S(C)(=O)=O)[nH+]c2c1 ZINC000468704801 515478108 /nfs/dbraw/zinc/47/81/08/515478108.db2.gz AYXVQGHFUGEGEY-UHFFFAOYSA-N 1 2 360.395 2.567 20 5 FFBDLO CCc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccccc3OC)C2)cc1[N+](=O)[O-] ZINC000505470106 515544764 /nfs/dbraw/zinc/54/47/64/515544764.db2.gz XMUNUDNKORAILL-QGZVFWFLSA-N 1 2 369.421 2.953 20 5 FFBDLO CCc1ccc([C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC[NH2+]2)cc1 ZINC000505484951 515551086 /nfs/dbraw/zinc/55/10/86/515551086.db2.gz WNUZYEVYHXMZKG-MRXNPFEDSA-N 1 2 355.394 2.650 20 5 FFBDLO COC(=O)c1cnc(N2CCC(CCCn3cc[nH+]c3)CC2)c([N+](=O)[O-])c1 ZINC000477751356 515578421 /nfs/dbraw/zinc/57/84/21/515578421.db2.gz RHZIPMXWNTWCCY-UHFFFAOYSA-N 1 2 373.413 2.670 20 5 FFBDLO O=[N+]([O-])c1cc2ccccc2nc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC000473518109 515643525 /nfs/dbraw/zinc/64/35/25/515643525.db2.gz JTHQVOOFVGFKKT-UHFFFAOYSA-N 1 2 351.366 2.540 20 5 FFBDLO COc1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1O ZINC000494139600 515745040 /nfs/dbraw/zinc/74/50/40/515745040.db2.gz FLUYXARHVFGZHU-UHFFFAOYSA-N 1 2 354.322 2.747 20 5 FFBDLO C[C@@H](C(=O)Nc1nc(C[NH+](C)C)cs1)c1ccc([N+](=O)[O-])cc1F ZINC000457317536 515805829 /nfs/dbraw/zinc/80/58/29/515805829.db2.gz SDVOSGHLAIVTQT-SECBINFHSA-N 1 2 352.391 2.994 20 5 FFBDLO Cc1cc[nH+]cc1N1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000500678145 515812967 /nfs/dbraw/zinc/81/29/67/515812967.db2.gz HRGAUYFJBFHDQM-UHFFFAOYSA-N 1 2 354.410 2.580 20 5 FFBDLO Cc1cc[nH+]cc1N1CCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000500679852 515815562 /nfs/dbraw/zinc/81/55/62/515815562.db2.gz MUTHDJCDFQNDQF-CQSZACIVSA-N 1 2 372.400 2.890 20 5 FFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c(F)c1 ZINC000511645957 515976957 /nfs/dbraw/zinc/97/69/57/515976957.db2.gz FSFYRRQATMKMKQ-KWQFWETISA-N 1 2 354.275 2.866 20 5 FFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c(F)c1 ZINC000511645957 515976969 /nfs/dbraw/zinc/97/69/69/515976969.db2.gz FSFYRRQATMKMKQ-KWQFWETISA-N 1 2 354.275 2.866 20 5 FFBDLO COc1c(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cccc1[N+](=O)[O-] ZINC000469987525 516061868 /nfs/dbraw/zinc/06/18/68/516061868.db2.gz RJYKLHNBRGHYML-UHFFFAOYSA-N 1 2 366.377 2.778 20 5 FFBDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000483750047 516199295 /nfs/dbraw/zinc/19/92/95/516199295.db2.gz BVUPDGYHUCKHGX-MRVPVSSYSA-N 1 2 354.288 2.624 20 5 FFBDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000483750047 516199303 /nfs/dbraw/zinc/19/93/03/516199303.db2.gz BVUPDGYHUCKHGX-MRVPVSSYSA-N 1 2 354.288 2.624 20 5 FFBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000557625824 516344021 /nfs/dbraw/zinc/34/40/21/516344021.db2.gz LVUAZADGLMICAT-YVEFUNNKSA-N 1 2 358.398 2.974 20 5 FFBDLO CC(C)(NC(=O)NCc1cn2ccccc2[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000531228308 516359137 /nfs/dbraw/zinc/35/91/37/516359137.db2.gz CNVGEXRAJFKLBK-UHFFFAOYSA-N 1 2 353.382 2.977 20 5 FFBDLO COc1ccc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC000517611419 516384433 /nfs/dbraw/zinc/38/44/33/516384433.db2.gz LUVJYWSLLWEOBT-UHFFFAOYSA-N 1 2 374.378 2.590 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)c1 ZINC000561124204 516394575 /nfs/dbraw/zinc/39/45/75/516394575.db2.gz OINBUHANSKDKSI-QGZVFWFLSA-N 1 2 358.398 2.673 20 5 FFBDLO CC[N@H+](CCCNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C)c1ccccc1 ZINC000523223640 516414672 /nfs/dbraw/zinc/41/46/72/516414672.db2.gz NMFBVPKFWANDRG-UHFFFAOYSA-N 1 2 373.457 2.831 20 5 FFBDLO CC[N@@H+](CCCNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C)c1ccccc1 ZINC000523223640 516414687 /nfs/dbraw/zinc/41/46/87/516414687.db2.gz NMFBVPKFWANDRG-UHFFFAOYSA-N 1 2 373.457 2.831 20 5 FFBDLO CC[C@@H](C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](CC)C1 ZINC000561348637 516535093 /nfs/dbraw/zinc/53/50/93/516535093.db2.gz PPFOOAHKCSELMI-ZBFHGGJFSA-N 1 2 363.458 2.836 20 5 FFBDLO CC[C@@H](C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H](CC)C1 ZINC000561348637 516535101 /nfs/dbraw/zinc/53/51/01/516535101.db2.gz PPFOOAHKCSELMI-ZBFHGGJFSA-N 1 2 363.458 2.836 20 5 FFBDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@@H+]2Cc2ccc(Cl)cc2[N+](=O)[O-])O1 ZINC000554848173 516662193 /nfs/dbraw/zinc/66/21/93/516662193.db2.gz IVYFSFLNZSEUCR-XGVBPZLHSA-N 1 2 368.817 2.932 20 5 FFBDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@H+]2Cc2ccc(Cl)cc2[N+](=O)[O-])O1 ZINC000554848173 516662198 /nfs/dbraw/zinc/66/21/98/516662198.db2.gz IVYFSFLNZSEUCR-XGVBPZLHSA-N 1 2 368.817 2.932 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](NCc1cn2ccsc2n1)c1ccc([N+](=O)[O-])cc1 ZINC000513667173 516713709 /nfs/dbraw/zinc/71/37/09/516713709.db2.gz PUCLFAVVJANGIL-HNNXBMFYSA-N 1 2 368.422 2.917 20 5 FFBDLO Cc1ccsc1[C@H](CO)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000536434408 516763253 /nfs/dbraw/zinc/76/32/53/516763253.db2.gz MZBZBNYGEMZZIR-ZDUSSCGKSA-N 1 2 372.406 2.614 20 5 FFBDLO COc1cc(N2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)ccc1F ZINC000555339503 516889232 /nfs/dbraw/zinc/88/92/32/516889232.db2.gz BFRRGIUTCGTWOR-UHFFFAOYSA-N 1 2 361.373 2.770 20 5 FFBDLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000536696607 516898791 /nfs/dbraw/zinc/89/87/91/516898791.db2.gz ZIRSZFZGYCBNPI-INIZCTEOSA-N 1 2 373.409 2.964 20 5 FFBDLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000536696607 516898796 /nfs/dbraw/zinc/89/87/96/516898796.db2.gz ZIRSZFZGYCBNPI-INIZCTEOSA-N 1 2 373.409 2.964 20 5 FFBDLO CC(C)Cn1cc[nH+]c1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000525094707 516913605 /nfs/dbraw/zinc/91/36/05/516913605.db2.gz ZCPGIKYNIFOMMA-UHFFFAOYSA-N 1 2 355.398 2.718 20 5 FFBDLO COc1cc([C@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])ccc1OCCO ZINC000555420861 516921084 /nfs/dbraw/zinc/92/10/84/516921084.db2.gz PMENICZLJQEQPC-LBPRGKRZSA-N 1 2 362.382 2.531 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000541496930 517076653 /nfs/dbraw/zinc/07/66/53/517076653.db2.gz BVYGMEWGULZDFM-UHFFFAOYSA-N 1 2 366.377 2.778 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000552117402 517090249 /nfs/dbraw/zinc/09/02/49/517090249.db2.gz WYUKOQXRQJCFNO-UHFFFAOYSA-N 1 2 365.393 2.961 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000525647646 517100193 /nfs/dbraw/zinc/10/01/93/517100193.db2.gz BSEFTPZPUMIQAK-GOSISDBHSA-N 1 2 350.378 2.777 20 5 FFBDLO COC(=O)c1cc(C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)cc([N+](=O)[O-])c1 ZINC000525731187 517141241 /nfs/dbraw/zinc/14/12/41/517141241.db2.gz ARMGGZIPCCHBQJ-UHFFFAOYSA-N 1 2 368.349 2.829 20 5 FFBDLO Cc1cc(Br)cn2cc(CNc3ccc([N+](=O)[O-])cn3)[nH+]c12 ZINC000545347410 517189833 /nfs/dbraw/zinc/18/98/33/517189833.db2.gz ZEUUWZAWFNFKEI-UHFFFAOYSA-N 1 2 362.187 2.742 20 5 FFBDLO Cc1ccc(S(=O)(=O)Nc2c[nH+]ccc2N2CCCC2)c([N+](=O)[O-])c1 ZINC000520407004 517381892 /nfs/dbraw/zinc/38/18/92/517381892.db2.gz ZIBSRVCNWRBWPP-UHFFFAOYSA-N 1 2 362.411 2.699 20 5 FFBDLO Cc1cc(C)nc(N2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000542177624 517422646 /nfs/dbraw/zinc/42/26/46/517422646.db2.gz REBGJUSZHPZFOI-FNORWQNLSA-N 1 2 353.426 2.837 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](CCNC(C)=O)Cc1ccsc1 ZINC000549151667 517425386 /nfs/dbraw/zinc/42/53/86/517425386.db2.gz AUIOQLVTLZXOGF-UHFFFAOYSA-N 1 2 363.439 2.803 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](CCNC(C)=O)Cc1ccsc1 ZINC000549151667 517425396 /nfs/dbraw/zinc/42/53/96/517425396.db2.gz AUIOQLVTLZXOGF-UHFFFAOYSA-N 1 2 363.439 2.803 20 5 FFBDLO O=[N+]([O-])c1cc2c(ncnc2NCc2[nH+]ccn2CC(F)(F)F)s1 ZINC000553043131 517496155 /nfs/dbraw/zinc/49/61/55/517496155.db2.gz LYUPMGSXJGJECA-UHFFFAOYSA-N 1 2 358.305 2.970 20 5 FFBDLO CC(C)[C@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1[nH]cc[nH+]1 ZINC000549355141 517524584 /nfs/dbraw/zinc/52/45/84/517524584.db2.gz RLFUEEKDZFYJDX-INIZCTEOSA-N 1 2 369.381 2.758 20 5 FFBDLO COc1ccc(NC(=O)NCc2[nH+]ccn2CC(F)(F)F)cc1[N+](=O)[O-] ZINC000542964895 517842425 /nfs/dbraw/zinc/84/24/25/517842425.db2.gz QKTXHOZBUZDJOH-UHFFFAOYSA-N 1 2 373.291 2.684 20 5 FFBDLO O=C(Cc1c[nH+]cn1Cc1ccccc1)NCCc1ccccc1[N+](=O)[O-] ZINC000516821909 517856403 /nfs/dbraw/zinc/85/64/03/517856403.db2.gz XZVDZXQLXNCDFJ-UHFFFAOYSA-N 1 2 364.405 2.741 20 5 FFBDLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000534575105 517947872 /nfs/dbraw/zinc/94/78/72/517947872.db2.gz XBXHXGFPHDLYFS-UHFFFAOYSA-N 1 2 351.366 2.510 20 5 FFBDLO Cn1cc[nH+]c1[C@H](Nc1cccc(C(N)=O)c1[N+](=O)[O-])c1ccccc1 ZINC000557484264 518030086 /nfs/dbraw/zinc/03/00/86/518030086.db2.gz HKOPEXDVHHMEAZ-OAHLLOKOSA-N 1 2 351.366 2.629 20 5 FFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000517199016 518057640 /nfs/dbraw/zinc/05/76/40/518057640.db2.gz DOZOKHYPEWAYRQ-ZDUSSCGKSA-N 1 2 369.377 2.795 20 5 FFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000517199016 518057650 /nfs/dbraw/zinc/05/76/50/518057650.db2.gz DOZOKHYPEWAYRQ-ZDUSSCGKSA-N 1 2 369.377 2.795 20 5 FFBDLO Cc1[nH]nc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)c1[N+](=O)[O-] ZINC000535286790 518173064 /nfs/dbraw/zinc/17/30/64/518173064.db2.gz BSAOSSILQMZOIT-UHFFFAOYSA-N 1 2 364.365 2.794 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC000584496931 518367227 /nfs/dbraw/zinc/36/72/27/518367227.db2.gz AWOMWNVAKSEDHC-JTQLQIEISA-N 1 2 368.315 2.977 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC000584496932 518368011 /nfs/dbraw/zinc/36/80/11/518368011.db2.gz AWOMWNVAKSEDHC-SNVBAGLBSA-N 1 2 368.315 2.977 20 5 FFBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)COc1ccccc1-n1cc[nH+]c1 ZINC000579165430 518548530 /nfs/dbraw/zinc/54/85/30/518548530.db2.gz DAMFFTKMWMWDQL-AWEZNQCLSA-N 1 2 355.350 2.599 20 5 FFBDLO CCOc1cc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000585800880 518607222 /nfs/dbraw/zinc/60/72/22/518607222.db2.gz QPHRPIOEUYXYSX-KBAYOESNSA-N 1 2 364.442 2.745 20 5 FFBDLO CCOc1cc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000585800880 518607227 /nfs/dbraw/zinc/60/72/27/518607227.db2.gz QPHRPIOEUYXYSX-KBAYOESNSA-N 1 2 364.442 2.745 20 5 FFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](Cc2ccco2)CC1 ZINC000579400904 518661811 /nfs/dbraw/zinc/66/18/11/518661811.db2.gz BWZMAQLVQKMIAG-UHFFFAOYSA-N 1 2 363.801 2.728 20 5 FFBDLO O=[N+]([O-])c1ccccc1C[N@H+](CCCN1CCOCC1)Cc1ccncc1 ZINC000570653728 518713674 /nfs/dbraw/zinc/71/36/74/518713674.db2.gz YKCKDBXWFVZAKF-UHFFFAOYSA-N 1 2 370.453 2.714 20 5 FFBDLO O=[N+]([O-])c1ccccc1C[N@@H+](CCCN1CCOCC1)Cc1ccncc1 ZINC000570653728 518713684 /nfs/dbraw/zinc/71/36/84/518713684.db2.gz YKCKDBXWFVZAKF-UHFFFAOYSA-N 1 2 370.453 2.714 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000579797978 518854506 /nfs/dbraw/zinc/85/45/06/518854506.db2.gz WECFTDJJZUEZMA-WMLDXEAASA-N 1 2 352.456 2.865 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000579797978 518854510 /nfs/dbraw/zinc/85/45/10/518854510.db2.gz WECFTDJJZUEZMA-WMLDXEAASA-N 1 2 352.456 2.865 20 5 FFBDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C)c1ccc([N+](=O)[O-])nc1 ZINC000588984055 518888720 /nfs/dbraw/zinc/88/87/20/518888720.db2.gz JYZVLDVUYNLHQX-UHFFFAOYSA-N 1 2 361.308 2.589 20 5 FFBDLO O=C(NC[C@H]1COc2ccccc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000589121902 518921594 /nfs/dbraw/zinc/92/15/94/518921594.db2.gz OBCASZJNLAFNPT-AWEZNQCLSA-N 1 2 364.361 2.687 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000589494192 519016148 /nfs/dbraw/zinc/01/61/48/519016148.db2.gz DHJXYDLSIFGKFS-UHFFFAOYSA-N 1 2 373.384 2.843 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)c1 ZINC000589501833 519020192 /nfs/dbraw/zinc/02/01/92/519020192.db2.gz GDUKPXABNFDPHM-UHFFFAOYSA-N 1 2 366.377 2.857 20 5 FFBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC3(CCC3)[C@H]1[C@@H]1CCCO1)OCCO2 ZINC000589521197 519024053 /nfs/dbraw/zinc/02/40/53/519024053.db2.gz JWCIETNCYCOTHX-MAUKXSAKSA-N 1 2 360.410 2.900 20 5 FFBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC3(CCC3)[C@H]1[C@@H]1CCCO1)OCCO2 ZINC000589521197 519024060 /nfs/dbraw/zinc/02/40/60/519024060.db2.gz JWCIETNCYCOTHX-MAUKXSAKSA-N 1 2 360.410 2.900 20 5 FFBDLO CCn1cc(C[N@H+](CCO)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)cn1 ZINC000568606231 519125373 /nfs/dbraw/zinc/12/53/73/519125373.db2.gz PGQGQXQNUBRILE-UHFFFAOYSA-N 1 2 372.347 2.825 20 5 FFBDLO CCn1cc(C[N@@H+](CCO)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)cn1 ZINC000568606231 519125378 /nfs/dbraw/zinc/12/53/78/519125378.db2.gz PGQGQXQNUBRILE-UHFFFAOYSA-N 1 2 372.347 2.825 20 5 FFBDLO Cc1cnc(CC[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c(C)c1 ZINC000583319324 519187936 /nfs/dbraw/zinc/18/79/36/519187936.db2.gz JVBNMZPOQTWPCP-UHFFFAOYSA-N 1 2 374.466 2.669 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000571690764 519222758 /nfs/dbraw/zinc/22/27/58/519222758.db2.gz LXGCTGOENGEFFE-CYBMUJFWSA-N 1 2 363.805 2.639 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000571690764 519222765 /nfs/dbraw/zinc/22/27/65/519222765.db2.gz LXGCTGOENGEFFE-CYBMUJFWSA-N 1 2 363.805 2.639 20 5 FFBDLO CCOC(=O)c1ccnc(NCC2CC[NH+](CC(F)F)CC2)c1[N+](=O)[O-] ZINC000590567510 519268120 /nfs/dbraw/zinc/26/81/20/519268120.db2.gz LJSDWYFXPPKTHW-UHFFFAOYSA-N 1 2 372.372 2.556 20 5 FFBDLO COc1cc(NCc2ccc(N3CCOCC3)[nH+]c2)c([N+](=O)[O-])cc1C ZINC000590571483 519269874 /nfs/dbraw/zinc/26/98/74/519269874.db2.gz BKKZRVVPRCHCJB-UHFFFAOYSA-N 1 2 358.398 2.756 20 5 FFBDLO COC(=O)c1ccnc(NCc2cc[nH+]c(N3CCCCC3)c2)c1[N+](=O)[O-] ZINC000590574617 519272096 /nfs/dbraw/zinc/27/20/96/519272096.db2.gz NASRQCIEOZQVRI-UHFFFAOYSA-N 1 2 371.397 2.774 20 5 FFBDLO Cc1cc[nH+]cc1N1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000566150332 519334930 /nfs/dbraw/zinc/33/49/30/519334930.db2.gz 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O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCc1ccc(CO)cc1 ZINC000591966175 520111717 /nfs/dbraw/zinc/11/17/17/520111717.db2.gz NIVHGHVLVMPKDD-UHFFFAOYSA-N 1 2 357.410 2.531 20 5 FFBDLO C[C@@H]1CCCN(c2ccc(C(=O)N(C)Cc3[nH+]ccn3C)cc2[N+](=O)[O-])C1 ZINC000608800940 520131932 /nfs/dbraw/zinc/13/19/32/520131932.db2.gz PRPQOBSKFMQFKR-CQSZACIVSA-N 1 2 371.441 2.837 20 5 FFBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000609025324 520179890 /nfs/dbraw/zinc/17/98/90/520179890.db2.gz NUBXDQCTPBMOCG-AWEZNQCLSA-N 1 2 353.382 2.679 20 5 FFBDLO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)c2ccc(F)cc2F)c2c(c1)COCO2 ZINC000594997124 520249445 /nfs/dbraw/zinc/24/94/45/520249445.db2.gz YBLHIBQMQGYSRM-INIZCTEOSA-N 1 2 366.320 2.563 20 5 FFBDLO O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609441558 520312343 /nfs/dbraw/zinc/31/23/43/520312343.db2.gz XIBPVXCJMCLIRQ-GOSISDBHSA-N 1 2 373.384 2.537 20 5 FFBDLO CCn1c2ccccc2[nH+]c1NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000613103190 520324195 /nfs/dbraw/zinc/32/41/95/520324195.db2.gz NRIQKBISJHBNCI-UHFFFAOYSA-N 1 2 354.366 2.770 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000603833981 520370753 /nfs/dbraw/zinc/37/07/53/520370753.db2.gz BNVBDPIWGKVNBW-OAHLLOKOSA-N 1 2 369.425 2.820 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000603833981 520370762 /nfs/dbraw/zinc/37/07/62/520370762.db2.gz BNVBDPIWGKVNBW-OAHLLOKOSA-N 1 2 369.425 2.820 20 5 FFBDLO Cc1noc(C[NH2+][C@](C)(CO)c2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000595317451 520405573 /nfs/dbraw/zinc/40/55/73/520405573.db2.gz ARCZPRQKNYSZDV-CQSZACIVSA-N 1 2 359.304 2.907 20 5 FFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000613317105 520443264 /nfs/dbraw/zinc/44/32/64/520443264.db2.gz UESDMAJIHSANEY-MRXNPFEDSA-N 1 2 351.366 2.551 20 5 FFBDLO O=[N+]([O-])c1ccc2ncnc(NCc3ccc(N4CCCC4)[nH+]c3)c2c1 ZINC000609849874 520457574 /nfs/dbraw/zinc/45/75/74/520457574.db2.gz OXHWJNLYIKGKKE-UHFFFAOYSA-N 1 2 350.382 2.567 20 5 FFBDLO COc1cccc([C@@H]2[C@@H](NCc3onc(C)c3[N+](=O)[O-])CC[N@@H+]2C2CC2)c1 ZINC000595475922 520494406 /nfs/dbraw/zinc/49/44/06/520494406.db2.gz KHWVSAUAHBYGFZ-QFBILLFUSA-N 1 2 372.425 2.967 20 5 FFBDLO COc1cccc([C@@H]2[C@@H](NCc3onc(C)c3[N+](=O)[O-])CC[N@H+]2C2CC2)c1 ZINC000595475922 520494415 /nfs/dbraw/zinc/49/44/15/520494415.db2.gz KHWVSAUAHBYGFZ-QFBILLFUSA-N 1 2 372.425 2.967 20 5 FFBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCc3ccc(Cl)c(Cl)c3C2)c1 ZINC000595658372 520628259 /nfs/dbraw/zinc/62/82/59/520628259.db2.gz UTHPKUQKJQXDEF-LBPRGKRZSA-N 1 2 371.224 2.517 20 5 FFBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCc3ccc(Cl)c(Cl)c3C2)c1 ZINC000595658372 520628268 /nfs/dbraw/zinc/62/82/68/520628268.db2.gz UTHPKUQKJQXDEF-LBPRGKRZSA-N 1 2 371.224 2.517 20 5 FFBDLO O=C(NCc1ccn2cc[nH+]c2c1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601323676 520742506 /nfs/dbraw/zinc/74/25/06/520742506.db2.gz OQSKNQVDIRMHNG-UHFFFAOYSA-N 1 2 350.378 2.981 20 5 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O=[N+]([O-])c1cccc(F)c1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000596350584 521036990 /nfs/dbraw/zinc/03/69/90/521036990.db2.gz YFRHZOHZOPWHOL-MSOLQXFVSA-N 1 2 357.385 2.824 20 5 FFBDLO O=[N+]([O-])c1cccc(F)c1N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000596350584 521036999 /nfs/dbraw/zinc/03/69/99/521036999.db2.gz YFRHZOHZOPWHOL-MSOLQXFVSA-N 1 2 357.385 2.824 20 5 FFBDLO CN1CCCC[C@@H]([N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1=O ZINC000601969931 521048361 /nfs/dbraw/zinc/04/83/61/521048361.db2.gz MSKPOEPOSRKZRQ-MRXNPFEDSA-N 1 2 358.398 2.693 20 5 FFBDLO CN1CCCC[C@@H]([N@@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1=O ZINC000601969931 521048369 /nfs/dbraw/zinc/04/83/69/521048369.db2.gz MSKPOEPOSRKZRQ-MRXNPFEDSA-N 1 2 358.398 2.693 20 5 FFBDLO O=[N+]([O-])c1cc2c(cc1C[NH+]1CCN(c3ccccc3F)CC1)OCCO2 ZINC000611249511 521056450 /nfs/dbraw/zinc/05/64/50/521056450.db2.gz WREKTAXTJNKNSK-UHFFFAOYSA-N 1 2 373.384 2.827 20 5 FFBDLO NC(=O)C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCCC1 ZINC000611254237 521060501 /nfs/dbraw/zinc/06/05/01/521060501.db2.gz AHHVTEKPSQHLKL-UHFFFAOYSA-N 1 2 360.439 2.948 20 5 FFBDLO NC(=O)C[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCCC1 ZINC000611254237 521060511 /nfs/dbraw/zinc/06/05/11/521060511.db2.gz AHHVTEKPSQHLKL-UHFFFAOYSA-N 1 2 360.439 2.948 20 5 FFBDLO CC[C@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCN1CC(F)F ZINC000611274774 521075000 /nfs/dbraw/zinc/07/50/00/521075000.db2.gz DKJLONLCRYGVOT-ZDUSSCGKSA-N 1 2 371.384 2.527 20 5 FFBDLO CC[C@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCN1CC(F)F ZINC000611274774 521075006 /nfs/dbraw/zinc/07/50/06/521075006.db2.gz DKJLONLCRYGVOT-ZDUSSCGKSA-N 1 2 371.384 2.527 20 5 FFBDLO COc1ccc([C@@H](CCO)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000611377455 521126613 /nfs/dbraw/zinc/12/66/13/521126613.db2.gz MXLWFSUVWVTHOU-OAHLLOKOSA-N 1 2 357.366 2.958 20 5 FFBDLO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)c1 ZINC000593737929 521184430 /nfs/dbraw/zinc/18/44/30/521184430.db2.gz 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COCCc1ncc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)s1 ZINC000602433032 521341656 /nfs/dbraw/zinc/34/16/56/521341656.db2.gz KMAPAOAAJADJLQ-UHFFFAOYSA-N 1 2 362.455 2.562 20 5 FFBDLO Cn1cc(C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])n1 ZINC000602480609 521370935 /nfs/dbraw/zinc/37/09/35/521370935.db2.gz HKEVPPMZTLAJTI-UHFFFAOYSA-N 1 2 359.213 2.630 20 5 FFBDLO Cn1cc(C[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])n1 ZINC000602480609 521370942 /nfs/dbraw/zinc/37/09/42/521370942.db2.gz HKEVPPMZTLAJTI-UHFFFAOYSA-N 1 2 359.213 2.630 20 5 FFBDLO C[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594107285 521408896 /nfs/dbraw/zinc/40/88/96/521408896.db2.gz KLHAOKNRFSMVFM-UPJWGTAASA-N 1 2 361.398 2.569 20 5 FFBDLO C[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594107285 521408901 /nfs/dbraw/zinc/40/89/01/521408901.db2.gz KLHAOKNRFSMVFM-UPJWGTAASA-N 1 2 361.398 2.569 20 5 FFBDLO O=[N+]([O-])c1sc(C[NH2+]Cc2nnc(C3CC3)[nH]2)cc1Br ZINC000602675681 521475442 /nfs/dbraw/zinc/47/54/42/521475442.db2.gz VXWGEAHEQDKEOY-UHFFFAOYSA-N 1 2 358.221 2.704 20 5 FFBDLO CC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(=O)OC(C)(C)C ZINC000602701711 521485267 /nfs/dbraw/zinc/48/52/67/521485267.db2.gz FJBPAIOCWPHADG-HNNXBMFYSA-N 1 2 364.446 2.669 20 5 FFBDLO Cc1cc(C)c(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c(C)n1 ZINC000602834048 521559688 /nfs/dbraw/zinc/55/96/88/521559688.db2.gz YZZXCRFTODEKIK-UHFFFAOYSA-N 1 2 368.437 2.873 20 5 FFBDLO CC1(C)C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@]2(CCOC2)O1 ZINC000619434206 521565542 /nfs/dbraw/zinc/56/55/42/521565542.db2.gz CGQJNHUVCGQCOR-KRWDZBQOSA-N 1 2 372.368 2.966 20 5 FFBDLO CC1(C)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@]2(CCOC2)O1 ZINC000619434206 521565549 /nfs/dbraw/zinc/56/55/49/521565549.db2.gz CGQJNHUVCGQCOR-KRWDZBQOSA-N 1 2 372.368 2.966 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC([C@H]2CCOC2)CC1 ZINC000612346954 521585465 /nfs/dbraw/zinc/58/54/65/521585465.db2.gz VSRYYDSHAOHCJG-INIZCTEOSA-N 1 2 370.409 2.669 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000619583512 521783581 /nfs/dbraw/zinc/78/35/81/521783581.db2.gz RXWGNIWRBNUYBP-OAHLLOKOSA-N 1 2 358.398 2.732 20 5 FFBDLO O=C(NC[C@@H]1C[C@H]1c1cccnc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000619871430 521913580 /nfs/dbraw/zinc/91/35/80/521913580.db2.gz HYKLGXFSSGJNGK-HOTGVXAUSA-N 1 2 363.377 2.709 20 5 FFBDLO Nc1ccc(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c[nH+]1 ZINC000501084518 561589536 /nfs/dbraw/zinc/58/95/36/561589536.db2.gz KONSKWATBYDYBK-UHFFFAOYSA-N 1 2 366.175 2.656 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000158249890 728885180 /nfs/dbraw/zinc/88/51/80/728885180.db2.gz FWJUFVIZBPABEG-CQSZACIVSA-N 1 2 367.833 2.575 20 5 FFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000859922770 730469387 /nfs/dbraw/zinc/46/93/87/730469387.db2.gz 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1 2 359.363 2.607 20 5 FFBDLO Cc1ccc(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)c(N(C)C)[nH+]1 ZINC000778392530 738379791 /nfs/dbraw/zinc/37/97/91/738379791.db2.gz OWFVKXJHORXCFY-UHFFFAOYSA-N 1 2 358.383 2.621 20 5 FFBDLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)[C@H]1C ZINC000787421754 739135199 /nfs/dbraw/zinc/13/51/99/739135199.db2.gz UYKJXUIWBLQRHR-GXSJLCMTSA-N 1 2 357.204 2.741 20 5 FFBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)[C@H]1C ZINC000787421754 739135206 /nfs/dbraw/zinc/13/52/06/739135206.db2.gz UYKJXUIWBLQRHR-GXSJLCMTSA-N 1 2 357.204 2.741 20 5 FFBDLO CO[C@H]1COCC[C@H]1[N@H+](C)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000931698147 739313289 /nfs/dbraw/zinc/31/32/89/739313289.db2.gz KKJNCRDELBQNLJ-KGLIPLIRSA-N 1 2 359.220 2.593 20 5 FFBDLO CO[C@H]1COCC[C@H]1[N@@H+](C)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000931698147 739313292 /nfs/dbraw/zinc/31/32/92/739313292.db2.gz KKJNCRDELBQNLJ-KGLIPLIRSA-N 1 2 359.220 2.593 20 5 FFBDLO 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ANGWQUYMLPVWDJ-UHFFFAOYSA-N 1 2 366.333 2.611 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2c(CC(N)=O)cccc2C1 ZINC000877679357 1014674309 /nfs/dbraw/zinc/67/43/09/1014674309.db2.gz CZWLACXRMZKMGO-UHFFFAOYSA-N 1 2 369.421 2.580 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2c(CC(N)=O)cccc2C1 ZINC000877679357 1014674314 /nfs/dbraw/zinc/67/43/14/1014674314.db2.gz CZWLACXRMZKMGO-UHFFFAOYSA-N 1 2 369.421 2.580 20 5 FFBDLO CC(C)(C)c1noc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000764417681 984483473 /nfs/dbraw/zinc/48/34/73/984483473.db2.gz OEEIVFXDIVQLFH-UHFFFAOYSA-N 1 2 371.353 2.818 20 5 FFBDLO Cc1noc(C)c1CO[C@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000762469843 988389636 /nfs/dbraw/zinc/38/96/36/988389636.db2.gz AJZZWAPPOQFORQ-INIZCTEOSA-N 1 2 371.397 2.798 20 5 FFBDLO Cc1noc(C)c1CO[C@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000762469843 988389645 /nfs/dbraw/zinc/38/96/45/988389645.db2.gz AJZZWAPPOQFORQ-INIZCTEOSA-N 1 2 371.397 2.798 20 5 FFBDLO 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356.382 2.568 20 5 FFBDLO C[N@@H+]1CC[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC001116667451 1021342695 /nfs/dbraw/zinc/34/26/95/1021342695.db2.gz GPHQKYNGWUBCAD-IAGOWNOFSA-N 1 2 359.357 2.615 20 5 FFBDLO C[N@H+]1CC[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC001116667451 1021342712 /nfs/dbraw/zinc/34/27/12/1021342712.db2.gz GPHQKYNGWUBCAD-IAGOWNOFSA-N 1 2 359.357 2.615 20 5 FFBDLO CN(CCOC(=O)C[N@H+](C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001122414843 1023253800 /nfs/dbraw/zinc/25/38/00/1023253800.db2.gz KYQXHDVHZLERRK-UHFFFAOYSA-N 1 2 357.410 2.706 20 5 FFBDLO CN(CCOC(=O)C[N@@H+](C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001122414843 1023253804 /nfs/dbraw/zinc/25/38/04/1023253804.db2.gz KYQXHDVHZLERRK-UHFFFAOYSA-N 1 2 357.410 2.706 20 5 FFBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000755006297 1023554347 /nfs/dbraw/zinc/55/43/47/1023554347.db2.gz BCHTVLNNZJLCGY-WYMLVPIESA-N 1 2 354.410 2.890 20 5 FFBDLO 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DLQLMDXWZSZFMR-MAUKXSAKSA-N 1 2 357.410 2.967 20 5 FFBDLO Cc1ccc(O[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])n1 ZINC001227221828 1034973926 /nfs/dbraw/zinc/97/39/26/1034973926.db2.gz DLQLMDXWZSZFMR-MAUKXSAKSA-N 1 2 357.410 2.967 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c1F ZINC000834560123 1035407313 /nfs/dbraw/zinc/40/73/13/1035407313.db2.gz WHPOFFFUQMMBBI-LLVKDONJSA-N 1 2 364.352 2.935 20 5 FFBDLO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@@H](Oc2[nH]cc([N+](=O)[O-])c3ncnc2-3)C1 ZINC001227692267 1035674646 /nfs/dbraw/zinc/67/46/46/1035674646.db2.gz VQNJGUXVZNIZBF-QWHCGFSZSA-N 1 2 368.397 2.866 20 5 FFBDLO C[C@@H](c1ccccn1)[N@H+]1CCC[C@@H](Oc2[nH]cc([N+](=O)[O-])c3ncnc2-3)C1 ZINC001227692267 1035674655 /nfs/dbraw/zinc/67/46/55/1035674655.db2.gz VQNJGUXVZNIZBF-QWHCGFSZSA-N 1 2 368.397 2.866 20 5 FFBDLO O=[N+]([O-])c1c(Cl)nccc1OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001228056331 1035906171 /nfs/dbraw/zinc/90/61/71/1035906171.db2.gz CBYHYCHLWGVBKO-CQSZACIVSA-N 1 2 363.801 2.923 20 5 FFBDLO O=[N+]([O-])c1c(Cl)nccc1OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001228056331 1035906181 /nfs/dbraw/zinc/90/61/81/1035906181.db2.gz CBYHYCHLWGVBKO-CQSZACIVSA-N 1 2 363.801 2.923 20 5 FFBDLO CCC(C)(C)c1cc([N+](=O)[O-])c(OC[C@@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC001233528807 1036670950 /nfs/dbraw/zinc/67/09/50/1036670950.db2.gz OCXNOMCFJZVCBA-ZDUSSCGKSA-N 1 2 367.402 2.900 20 5 FFBDLO CCC(C)(C)c1cc([N+](=O)[O-])c(OC[C@@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC001233528807 1036670958 /nfs/dbraw/zinc/67/09/58/1036670958.db2.gz OCXNOMCFJZVCBA-ZDUSSCGKSA-N 1 2 367.402 2.900 20 5 FFBDLO Cc1nccc([N+](=O)[O-])c1O[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001234899348 1037231584 /nfs/dbraw/zinc/23/15/84/1037231584.db2.gz BMDRXYXZMFGHPS-CRAIPNDOSA-N 1 2 357.410 2.967 20 5 FFBDLO Cc1nccc([N+](=O)[O-])c1O[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001234899348 1037231599 /nfs/dbraw/zinc/23/15/99/1037231599.db2.gz BMDRXYXZMFGHPS-CRAIPNDOSA-N 1 2 357.410 2.967 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CC[C@@](N)(C(F)(F)F)C2)c1F ZINC001246568197 1039398532 /nfs/dbraw/zinc/39/85/32/1039398532.db2.gz KNKBPIHIVNCVNO-OTYXRUKQSA-N 1 2 365.327 2.639 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CC[C@@](N)(C(F)(F)F)C2)c1F ZINC001246568197 1039398545 /nfs/dbraw/zinc/39/85/45/1039398545.db2.gz KNKBPIHIVNCVNO-OTYXRUKQSA-N 1 2 365.327 2.639 20 5 FFBDLO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2CC[C@H](C(F)(F)F)C[NH2+]2)n1 ZINC001247759044 1039937077 /nfs/dbraw/zinc/93/70/77/1039937077.db2.gz JZODJPJBNYVMIT-POYBYMJQSA-N 1 2 361.255 2.782 20 5 FFBDLO COC(=O)[C@@](C)(Cc1ccc(O)cc1)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254537665 1040787188 /nfs/dbraw/zinc/78/71/88/1040787188.db2.gz FWRLSLOYQUNYGD-JLTOFOAXSA-N 1 2 372.421 2.995 20 5 FFBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC001254571638 1040808728 /nfs/dbraw/zinc/80/87/28/1040808728.db2.gz ZJRXLVHEUVMQJW-OAHLLOKOSA-N 1 2 369.421 2.689 20 5 FFBDLO COC(=O)[C@](C)(Cc1ccc(O)cc1)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580788 1040814462 /nfs/dbraw/zinc/81/44/62/1040814462.db2.gz FUBNUVFKOKFULU-UZLBHIALSA-N 1 2 370.405 2.532 20 5 FFBDLO CCOc1cc(NC(=O)NCc2ccn3cc[nH+]c3c2)ccc1[N+](=O)[O-] ZINC001310944432 1043770020 /nfs/dbraw/zinc/77/00/20/1043770020.db2.gz FTZOSHXUTTWNCJ-UHFFFAOYSA-N 1 2 355.354 2.963 20 5 FFBDLO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001323350289 1045556886 /nfs/dbraw/zinc/55/68/86/1045556886.db2.gz TWNWMRIUNARBNQ-UHFFFAOYSA-N 1 2 357.370 2.529 20 5 FFBDLO O=[N+]([O-])c1cccc(C[NH+]2CCN(c3ncnc4c3CCCC4)CC2)c1 ZINC001323947335 1045786972 /nfs/dbraw/zinc/78/69/72/1045786972.db2.gz GLZLQIJLUSKORZ-UHFFFAOYSA-N 1 2 353.426 2.586 20 5 FFBDLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1Br ZINC001325725139 1046623536 /nfs/dbraw/zinc/62/35/36/1046623536.db2.gz FGCVOJVZEJMFSO-ZDUSSCGKSA-N 1 2 357.204 2.885 20 5 FFBDLO C[N@H+]1CCCC[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1Br ZINC001325725139 1046623542 /nfs/dbraw/zinc/62/35/42/1046623542.db2.gz FGCVOJVZEJMFSO-ZDUSSCGKSA-N 1 2 357.204 2.885 20 5 FFBDLO Cc1ccc(CNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC001333302782 1048820989 /nfs/dbraw/zinc/82/09/89/1048820989.db2.gz BOXQDAYHILOVDO-MRXNPFEDSA-N 1 2 371.441 2.801 20 5 FFBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001329988444 1048994691 /nfs/dbraw/zinc/99/46/91/1048994691.db2.gz DAAIAFVIFVQEMP-UHFFFAOYSA-N 1 2 367.409 2.815 20 5 FFBDLO COc1cc([N+](=O)[O-])c(C(=O)OCCCc2c[nH+]cn2C)cc1SC ZINC001343726345 1052390749 /nfs/dbraw/zinc/39/07/49/1052390749.db2.gz USONKDLAAHYWIH-UHFFFAOYSA-N 1 2 365.411 2.848 20 5 FFBDLO COC(=O)C[C@@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)c1cccnc1 ZINC001308179643 1052428217 /nfs/dbraw/zinc/42/82/17/1052428217.db2.gz ITFVQBIMTZHFBO-GOSISDBHSA-N 1 2 359.382 2.567 20 5 FFBDLO O=C(C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)Nc1ccc(F)c(F)c1 ZINC001308922988 1052520396 /nfs/dbraw/zinc/52/03/96/1052520396.db2.gz WXEJKBTVCSDPDF-UHFFFAOYSA-N 1 2 362.292 2.743 20 5 FFBDLO C[N@H+](CC(=O)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)Cc1ccccc1 ZINC001344029723 1052554853 /nfs/dbraw/zinc/55/48/53/1052554853.db2.gz NIGFBFNBOHAVOL-IBGZPJMESA-N 1 2 369.421 2.849 20 5 FFBDLO C[N@@H+](CC(=O)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)Cc1ccccc1 ZINC001344029723 1052554858 /nfs/dbraw/zinc/55/48/58/1052554858.db2.gz NIGFBFNBOHAVOL-IBGZPJMESA-N 1 2 369.421 2.849 20 5 FFBDLO O=C(NC1([C@@H]2CCCO2)CCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001348792295 1054930574 /nfs/dbraw/zinc/93/05/74/1054930574.db2.gz DQCVTGLKXZJDMJ-INIZCTEOSA-N 1 2 356.382 2.612 20 5 FFBDLO CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC001338022429 1055173974 /nfs/dbraw/zinc/17/39/74/1055173974.db2.gz NZJDWIVOVZNRSW-UHFFFAOYSA-N 1 2 358.398 2.929 20 5 FFBDLO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC001350056389 1055599851 /nfs/dbraw/zinc/59/98/51/1055599851.db2.gz GUVRDFYILQXUHI-AWEZNQCLSA-N 1 2 374.445 2.539 20 5 FFBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001544045026 1071586159 /nfs/dbraw/zinc/58/61/59/1071586159.db2.gz UGKMBQAVDOYIPR-UHFFFAOYSA-N 1 2 370.409 2.570 20 5 FFBDLO C[C@H](CC(=O)c1ccco1)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001446163414 1058485808 /nfs/dbraw/zinc/48/58/08/1058485808.db2.gz NDEKLBLYTSGUGU-GFCCVEGCSA-N 1 2 368.349 2.765 20 5 FFBDLO C[C@H](NC(=O)c1cc(-n2cc[nH+]c2)ccc1O)c1ccc([N+](=O)[O-])cc1 ZINC001455704790 1059882455 /nfs/dbraw/zinc/88/24/55/1059882455.db2.gz XFYBASHMHNJSIQ-LBPRGKRZSA-N 1 2 352.350 2.977 20 5 FFBDLO CC1(C)C[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C[C@@]2(CCOC2)O1 ZINC000848486974 1060133162 /nfs/dbraw/zinc/13/31/62/1060133162.db2.gz LSFINEALUOSHKF-LJQANCHMSA-N 1 2 372.425 2.686 20 5 FFBDLO CC1(C)C[N@@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C[C@@]2(CCOC2)O1 ZINC000848486974 1060133172 /nfs/dbraw/zinc/13/31/72/1060133172.db2.gz LSFINEALUOSHKF-LJQANCHMSA-N 1 2 372.425 2.686 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC001520985592 1060274095 /nfs/dbraw/zinc/27/40/95/1060274095.db2.gz UPRXDHWDINSAGC-CYBMUJFWSA-N 1 2 365.393 2.693 20 5 FFBDLO COc1cc(F)c(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1OC ZINC001462155423 1061520866 /nfs/dbraw/zinc/52/08/66/1061520866.db2.gz ODAWVYIUAZZVLZ-UHFFFAOYSA-N 1 2 360.345 2.917 20 5 FFBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001477223706 1061631911 /nfs/dbraw/zinc/63/19/11/1061631911.db2.gz PNTYPTYHIASSHH-KGLIPLIRSA-N 1 2 372.425 2.979 20 5 FFBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001477223706 1061631915 /nfs/dbraw/zinc/63/19/15/1061631915.db2.gz PNTYPTYHIASSHH-KGLIPLIRSA-N 1 2 372.425 2.979 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCOC[C@@H]1c1ccco1 ZINC001435174084 1062408465 /nfs/dbraw/zinc/40/84/65/1062408465.db2.gz DGMSTDMZNLLXGT-MRXNPFEDSA-N 1 2 368.349 2.587 20 5 FFBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C)C[C@H]1CC(C)C ZINC001464631004 1062727252 /nfs/dbraw/zinc/72/72/52/1062727252.db2.gz GILUFRSSDBMCGH-MRXNPFEDSA-N 1 2 369.487 2.508 20 5 FFBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C)C[C@H]1CC(C)C ZINC001464631004 1062727268 /nfs/dbraw/zinc/72/72/68/1062727268.db2.gz GILUFRSSDBMCGH-MRXNPFEDSA-N 1 2 369.487 2.508 20 5 FFBDLO COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)s1 ZINC001531492415 1062781714 /nfs/dbraw/zinc/78/17/14/1062781714.db2.gz BHOLVSMXQWFFEF-UHFFFAOYSA-N 1 2 372.362 2.881 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCc2cc(F)cnc21 ZINC001533979915 1063462931 /nfs/dbraw/zinc/46/29/31/1063462931.db2.gz GWMCOQBHWLPQCH-UHFFFAOYSA-N 1 2 353.313 2.518 20 5 FFBDLO O=CNc1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC001472090184 1064926790 /nfs/dbraw/zinc/92/67/90/1064926790.db2.gz ZPROTNGBECFTQW-UHFFFAOYSA-N 1 2 351.322 2.601 20 5 FFBDLO C[C@H]1CN(C(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC(C)(C)O1 ZINC001473233573 1065224986 /nfs/dbraw/zinc/22/49/86/1065224986.db2.gz QMTLCWRWBHOMPV-AWEZNQCLSA-N 1 2 361.442 2.585 20 5 FFBDLO C[C@H]1CN(C(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC(C)(C)O1 ZINC001473233573 1065224998 /nfs/dbraw/zinc/22/49/98/1065224998.db2.gz QMTLCWRWBHOMPV-AWEZNQCLSA-N 1 2 361.442 2.585 20 5 FFBDLO Cc1c(OS(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)cccc1[N+](=O)[O-] ZINC001474856134 1065627885 /nfs/dbraw/zinc/62/78/85/1065627885.db2.gz JPLNGGMSCKREJB-UHFFFAOYSA-N 1 2 362.407 2.659 20 5 FFBDLO Cc1c(OS(=O)(=O)c2cccc3c2CC[N@H+](C)C3)cccc1[N+](=O)[O-] ZINC001474856134 1065627889 /nfs/dbraw/zinc/62/78/89/1065627889.db2.gz JPLNGGMSCKREJB-UHFFFAOYSA-N 1 2 362.407 2.659 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC001556421053 1075739537 /nfs/dbraw/zinc/73/95/37/1075739537.db2.gz HJPRMSBJROWECP-JTQLQIEISA-N 1 2 363.805 2.584 20 5 FFBDLO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC001559045776 1076120698 /nfs/dbraw/zinc/12/06/98/1076120698.db2.gz WDELRLSAZLYHPT-LBPRGKRZSA-N 1 2 373.413 2.667 20 5 FFBDLO Cc1nc(CC2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)no1 ZINC001560162744 1076238972 /nfs/dbraw/zinc/23/89/72/1076238972.db2.gz ZUDJVOKAMSUMTH-UHFFFAOYSA-N 1 2 356.386 2.617 20 5 FFBDLO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CO1 ZINC001561033267 1076322812 /nfs/dbraw/zinc/32/28/12/1076322812.db2.gz JFAMKXUHFVWINE-LLVKDONJSA-N 1 2 357.794 2.889 20 5 FFBDLO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001586484153 1079636876 /nfs/dbraw/zinc/63/68/76/1079636876.db2.gz LZHWZUGJTZKRMU-KBXCAEBGSA-N 1 2 369.421 2.941 20 5 FFBDLO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001586484153 1079636880 /nfs/dbraw/zinc/63/68/80/1079636880.db2.gz LZHWZUGJTZKRMU-KBXCAEBGSA-N 1 2 369.421 2.941 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3nnc(C(F)(F)F)s3)CC2)cc1 ZINC000186774722 251260958 /nfs/dbraw/zinc/26/09/58/251260958.db2.gz LRSVCUVSUZTWSQ-UHFFFAOYSA-N 1 2 373.360 2.787 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000272566891 252069812 /nfs/dbraw/zinc/06/98/12/252069812.db2.gz VDACORFJHDZNBC-DLBZAZTESA-N 1 2 372.425 2.693 20 5 FFBDLO COC(=O)[C@H]1CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1C ZINC000276543591 256109024 /nfs/dbraw/zinc/10/90/24/256109024.db2.gz YCGKRSBWLWJDCJ-PWSUYJOCSA-N 1 2 371.231 2.988 20 5 FFBDLO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1C ZINC000276543591 256109025 /nfs/dbraw/zinc/10/90/25/256109025.db2.gz YCGKRSBWLWJDCJ-PWSUYJOCSA-N 1 2 371.231 2.988 20 5 FFBDLO COc1cc(OC)c(OC)cc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278584040 256327961 /nfs/dbraw/zinc/32/79/61/256327961.db2.gz DJQFUKAIGPWMKG-UHFFFAOYSA-N 1 2 372.381 2.787 20 5 FFBDLO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000278884960 256358108 /nfs/dbraw/zinc/35/81/08/256358108.db2.gz YWENLRIMLBZKGS-OCAPTIKFSA-N 1 2 362.249 2.583 20 5 FFBDLO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000278884960 256358110 /nfs/dbraw/zinc/35/81/10/256358110.db2.gz YWENLRIMLBZKGS-OCAPTIKFSA-N 1 2 362.249 2.583 20 5 FFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c([N+](=O)[O-])c1 ZINC000290013046 257311476 /nfs/dbraw/zinc/31/14/76/257311476.db2.gz UPOMHYDLSHWEMU-ZDUSSCGKSA-N 1 2 351.750 2.800 20 5 FFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c([N+](=O)[O-])c1 ZINC000290013046 257311477 /nfs/dbraw/zinc/31/14/77/257311477.db2.gz UPOMHYDLSHWEMU-ZDUSSCGKSA-N 1 2 351.750 2.800 20 5 FFBDLO Cc1cc(N2CCC(n3ccnn3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302036354 258083680 /nfs/dbraw/zinc/08/36/80/258083680.db2.gz PJQKTKBODOOCRI-UHFFFAOYSA-N 1 2 365.397 2.793 20 5 FFBDLO Cc1cccc(N2CC[NH+](CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000302504265 258103955 /nfs/dbraw/zinc/10/39/55/258103955.db2.gz PSTBGUWNWXAJBO-HOTGVXAUSA-N 1 2 374.485 2.530 20 5 FFBDLO CCOCC[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cc2Br)CC1 ZINC000302669384 258107438 /nfs/dbraw/zinc/10/74/38/258107438.db2.gz KEFRGGRDBWBGBW-UHFFFAOYSA-N 1 2 372.263 2.824 20 5 FFBDLO C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312944059 258115353 /nfs/dbraw/zinc/11/53/53/258115353.db2.gz GVPKONGZUNOABN-GOEBONIOSA-N 1 2 369.421 2.941 20 5 FFBDLO C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312944059 258115354 /nfs/dbraw/zinc/11/53/54/258115354.db2.gz GVPKONGZUNOABN-GOEBONIOSA-N 1 2 369.421 2.941 20 5 FFBDLO C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312944061 258115377 /nfs/dbraw/zinc/11/53/77/258115377.db2.gz GVPKONGZUNOABN-ZBFHGGJFSA-N 1 2 369.421 2.941 20 5 FFBDLO C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312944061 258115378 /nfs/dbraw/zinc/11/53/78/258115378.db2.gz GVPKONGZUNOABN-ZBFHGGJFSA-N 1 2 369.421 2.941 20 5 FFBDLO COC(=O)c1cc([N+](=O)[O-])c(N[C@H](C)[C@H](C)[NH+]2CCOCC2)cc1Cl ZINC000301679049 258062577 /nfs/dbraw/zinc/06/25/77/258062577.db2.gz RGMBEPIJBQBDDE-MNOVXSKESA-N 1 2 371.821 2.556 20 5 FFBDLO CC(C)[C@H](CNc1ncc(Br)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000301695696 258063569 /nfs/dbraw/zinc/06/35/69/258063569.db2.gz POPPXRSXWCPFJK-ZDUSSCGKSA-N 1 2 373.251 2.521 20 5 FFBDLO COc1cc(C[NH+]2CCN(c3sccc3[N+](=O)[O-])CC2)cc(OC)c1 ZINC000302019747 258082126 /nfs/dbraw/zinc/08/21/26/258082126.db2.gz NHQQGZRIPVEMHI-UHFFFAOYSA-N 1 2 363.439 2.996 20 5 FFBDLO CCOc1cc(C[N@@H+]2CCN(C(=O)N(C)C)CC2(C)C)ccc1[N+](=O)[O-] ZINC000331193408 258179352 /nfs/dbraw/zinc/17/93/52/258179352.db2.gz WZISLSHDMAPBRL-UHFFFAOYSA-N 1 2 364.446 2.571 20 5 FFBDLO CCOc1cc(C[N@H+]2CCN(C(=O)N(C)C)CC2(C)C)ccc1[N+](=O)[O-] ZINC000331193408 258179353 /nfs/dbraw/zinc/17/93/53/258179353.db2.gz WZISLSHDMAPBRL-UHFFFAOYSA-N 1 2 364.446 2.571 20 5 FFBDLO Cc1c(NC(=O)CC[N@H+]2C[C@@H]3CCCCN3C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000332008721 258209993 /nfs/dbraw/zinc/20/99/93/258209993.db2.gz JSUQEZANNSMVID-HOCLYGCPSA-N 1 2 360.458 2.790 20 5 FFBDLO Cc1c(NC(=O)CC[N@@H+]2C[C@@H]3CCCCN3C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000332008721 258209994 /nfs/dbraw/zinc/20/99/94/258209994.db2.gz JSUQEZANNSMVID-HOCLYGCPSA-N 1 2 360.458 2.790 20 5 FFBDLO O=C1[C@H]([NH+]2CCC(C(F)(F)F)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000331683377 258196515 /nfs/dbraw/zinc/19/65/15/258196515.db2.gz QPJFHWSNDJVSNJ-CQSZACIVSA-N 1 2 357.332 2.974 20 5 FFBDLO CNC(=O)c1ccc(NCc2cc[nH+]c(N3CCCC3)c2)c([N+](=O)[O-])c1 ZINC000053556222 506403259 /nfs/dbraw/zinc/40/32/59/506403259.db2.gz BBFFSBBJAMENNK-UHFFFAOYSA-N 1 2 355.398 2.562 20 5 FFBDLO O=C1[C@H]([N@@H+]2CCOc3ccccc3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000067377693 506850080 /nfs/dbraw/zinc/85/00/80/506850080.db2.gz ZLNGMOZCYXSGDW-QGZVFWFLSA-N 1 2 353.378 2.595 20 5 FFBDLO O=C1[C@H]([N@H+]2CCOc3ccccc3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000067377693 506850084 /nfs/dbraw/zinc/85/00/84/506850084.db2.gz ZLNGMOZCYXSGDW-QGZVFWFLSA-N 1 2 353.378 2.595 20 5 FFBDLO O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1C[NH+]1CCOCC1 ZINC000055816164 506858410 /nfs/dbraw/zinc/85/84/10/506858410.db2.gz NAMCMOKDGWTUTH-UHFFFAOYSA-N 1 2 355.394 2.608 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000045231250 506936899 /nfs/dbraw/zinc/93/68/99/506936899.db2.gz VBJCWBLWDPBYBN-KRWDZBQOSA-N 1 2 365.393 2.917 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2C[NH+]2CCOCC2)c1 ZINC000067753159 506998973 /nfs/dbraw/zinc/99/89/73/506998973.db2.gz CRAJMVUNWFOIST-UHFFFAOYSA-N 1 2 371.393 2.688 20 5 FFBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000056459029 507017953 /nfs/dbraw/zinc/01/79/53/507017953.db2.gz ZPEPCYGYJZJOBF-UHFFFAOYSA-N 1 2 369.425 2.980 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccsc2)CC1 ZINC000015107136 507020906 /nfs/dbraw/zinc/02/09/06/507020906.db2.gz FFUGMJZRFFQWSX-CQSZACIVSA-N 1 2 374.466 2.801 20 5 FFBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000016638213 507100496 /nfs/dbraw/zinc/10/04/96/507100496.db2.gz YALFFUYQHGRJMC-CQSZACIVSA-N 1 2 372.450 2.819 20 5 FFBDLO C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046598903 507157224 /nfs/dbraw/zinc/15/72/24/507157224.db2.gz JSNQTPDVTOUKGU-AWEZNQCLSA-N 1 2 359.401 2.913 20 5 FFBDLO C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046598903 507157227 /nfs/dbraw/zinc/15/72/27/507157227.db2.gz JSNQTPDVTOUKGU-AWEZNQCLSA-N 1 2 359.401 2.913 20 5 FFBDLO CCN(C(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC000047743887 507387352 /nfs/dbraw/zinc/38/73/52/507387352.db2.gz BXJGIPYZBNFZPN-UHFFFAOYSA-N 1 2 368.437 2.770 20 5 FFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCN(C)c2ccccc2C1 ZINC000069090484 507405115 /nfs/dbraw/zinc/40/51/15/507405115.db2.gz NLCBFTGFZXWVNU-AWEZNQCLSA-N 1 2 354.410 2.874 20 5 FFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCN(C)c2ccccc2C1 ZINC000069090484 507405121 /nfs/dbraw/zinc/40/51/21/507405121.db2.gz NLCBFTGFZXWVNU-AWEZNQCLSA-N 1 2 354.410 2.874 20 5 FFBDLO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[NH+](Cc2ccco2)CC1 ZINC000048314712 507499392 /nfs/dbraw/zinc/49/93/92/507499392.db2.gz CHUKZHHJVSBRFY-UHFFFAOYSA-N 1 2 354.366 2.627 20 5 FFBDLO O=C(c1ccc(F)c(F)c1)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000026445118 507587893 /nfs/dbraw/zinc/58/78/93/507587893.db2.gz JHHMNZNENAZGKY-UHFFFAOYSA-N 1 2 361.348 2.831 20 5 FFBDLO NC(=O)c1ccc(C[NH2+][C@H](c2ccccc2)c2ccccn2)c([N+](=O)[O-])c1 ZINC000027357210 507649784 /nfs/dbraw/zinc/64/97/84/507649784.db2.gz PSRSAHRKXMOCOD-LJQANCHMSA-N 1 2 362.389 2.968 20 5 FFBDLO COc1ccc(C(=O)N2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000051209646 507750109 /nfs/dbraw/zinc/75/01/09/507750109.db2.gz GFLZDXDFPDEDHH-UHFFFAOYSA-N 1 2 369.421 2.870 20 5 FFBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCCCn1cc[nH+]c1 ZINC000064737709 507807780 /nfs/dbraw/zinc/80/77/80/507807780.db2.gz YQRRBQCHFHMHMT-GFCCVEGCSA-N 1 2 366.805 2.809 20 5 FFBDLO COc1ccc(CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000031813352 507821852 /nfs/dbraw/zinc/82/18/52/507821852.db2.gz WYZPFFWNECUIGL-UHFFFAOYSA-N 1 2 366.377 2.762 20 5 FFBDLO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1nccn1C(F)F ZINC000072765372 507850838 /nfs/dbraw/zinc/85/08/38/507850838.db2.gz NVSNOEAANQUOGY-UHFFFAOYSA-N 1 2 353.329 2.647 20 5 FFBDLO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1nccn1C(F)F ZINC000072765372 507850841 /nfs/dbraw/zinc/85/08/41/507850841.db2.gz NVSNOEAANQUOGY-UHFFFAOYSA-N 1 2 353.329 2.647 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000072771668 507851355 /nfs/dbraw/zinc/85/13/55/507851355.db2.gz QKYDHNZTSNOZFD-UTUOFQBUSA-N 1 2 353.444 2.756 20 5 FFBDLO Cc1cccn2cc(CNc3cccc(S(C)(=O)=O)c3[N+](=O)[O-])[nH+]c12 ZINC000091628142 507997524 /nfs/dbraw/zinc/99/75/24/507997524.db2.gz AJPVLLUKBBBZOG-UHFFFAOYSA-N 1 2 360.395 2.567 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000110959709 508060687 /nfs/dbraw/zinc/06/06/87/508060687.db2.gz RHZYBCROTWGEOO-AWEZNQCLSA-N 1 2 367.833 2.575 20 5 FFBDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000093081766 508120109 /nfs/dbraw/zinc/12/01/09/508120109.db2.gz PHPHSQKZOCVOAI-HNNXBMFYSA-N 1 2 362.407 2.697 20 5 FFBDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000093081766 508120110 /nfs/dbraw/zinc/12/01/10/508120110.db2.gz PHPHSQKZOCVOAI-HNNXBMFYSA-N 1 2 362.407 2.697 20 5 FFBDLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1O ZINC000080985402 508121680 /nfs/dbraw/zinc/12/16/80/508121680.db2.gz OWRNINXQQXBMFL-LBPRGKRZSA-N 1 2 359.382 2.768 20 5 FFBDLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1O ZINC000080985402 508121683 /nfs/dbraw/zinc/12/16/83/508121683.db2.gz OWRNINXQQXBMFL-LBPRGKRZSA-N 1 2 359.382 2.768 20 5 FFBDLO COc1cc(C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)ccc1[N+](=O)[O-] ZINC000112668383 508207690 /nfs/dbraw/zinc/20/76/90/508207690.db2.gz RDKLWKPAUABRPX-UHFFFAOYSA-N 1 2 358.398 2.659 20 5 FFBDLO O=[N+]([O-])c1cccc(N2CC[NH+](CC[S@@](=O)c3ccccc3)CC2)c1 ZINC000104674252 508341080 /nfs/dbraw/zinc/34/10/80/508341080.db2.gz NGGHVMWIKCIPPQ-VWLOTQADSA-N 1 2 359.451 2.525 20 5 FFBDLO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000089204541 508390707 /nfs/dbraw/zinc/39/07/07/508390707.db2.gz PMVQWQFDOMETOI-UHFFFAOYSA-N 1 2 362.349 2.968 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000115864712 508448907 /nfs/dbraw/zinc/44/89/07/508448907.db2.gz CXFFKZVKOPVHQA-UHFFFAOYSA-N 1 2 366.377 2.778 20 5 FFBDLO COC(=O)C1([NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCCC1 ZINC000133920236 508468623 /nfs/dbraw/zinc/46/86/23/508468623.db2.gz OJBCJYAPJSHIOK-UHFFFAOYSA-N 1 2 359.382 2.868 20 5 FFBDLO C[C@H]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000152693354 508495394 /nfs/dbraw/zinc/49/53/94/508495394.db2.gz GPXJJLIIKIWUFA-YOEHRIQHSA-N 1 2 357.414 2.627 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1CN1CC[NH+](Cc2ccncc2)CC1 ZINC000153187599 508557368 /nfs/dbraw/zinc/55/73/68/508557368.db2.gz WQTDQEXPXPBCMF-UHFFFAOYSA-N 1 2 356.426 2.706 20 5 FFBDLO C[N@H+](CCc1nccs1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000157434902 508566305 /nfs/dbraw/zinc/56/63/05/508566305.db2.gz UGZXYNZQSLFFJC-UHFFFAOYSA-N 1 2 354.819 2.818 20 5 FFBDLO C[N@@H+](CCc1nccs1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000157434902 508566308 /nfs/dbraw/zinc/56/63/08/508566308.db2.gz UGZXYNZQSLFFJC-UHFFFAOYSA-N 1 2 354.819 2.818 20 5 FFBDLO C[C@H]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000123162299 508645660 /nfs/dbraw/zinc/64/56/60/508645660.db2.gz RYIJYYZOLDCKAB-XJKSGUPXSA-N 1 2 360.439 2.993 20 5 FFBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000137231698 508746113 /nfs/dbraw/zinc/74/61/13/508746113.db2.gz SUODZQWTHFNLFF-MRXNPFEDSA-N 1 2 371.441 2.535 20 5 FFBDLO O=C(Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000137498233 508758708 /nfs/dbraw/zinc/75/87/08/508758708.db2.gz DCHWJNWSHXCIJR-UHFFFAOYSA-N 1 2 352.354 2.770 20 5 FFBDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000159728791 508881400 /nfs/dbraw/zinc/88/14/00/508881400.db2.gz RVIWQYWGHNMKHM-UHFFFAOYSA-N 1 2 363.381 2.519 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+](C)Cc2cc(Cl)cn2C)c([N+](=O)[O-])c1 ZINC000120136210 508935398 /nfs/dbraw/zinc/93/53/98/508935398.db2.gz XQKSXPRXEFAJKD-UHFFFAOYSA-N 1 2 366.805 2.666 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+](C)Cc2cc(Cl)cn2C)c([N+](=O)[O-])c1 ZINC000120136210 508935400 /nfs/dbraw/zinc/93/54/00/508935400.db2.gz XQKSXPRXEFAJKD-UHFFFAOYSA-N 1 2 366.805 2.666 20 5 FFBDLO Cc1cccc(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)c1[N+](=O)[O-] ZINC000155273073 508963517 /nfs/dbraw/zinc/96/35/17/508963517.db2.gz OJTLXYRNUFSZNT-UHFFFAOYSA-N 1 2 356.382 2.696 20 5 FFBDLO C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC1 ZINC000120329372 508974274 /nfs/dbraw/zinc/97/42/74/508974274.db2.gz CVPZWVGKVHYUMU-UHFFFAOYSA-N 1 2 354.410 2.595 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000125385327 508975564 /nfs/dbraw/zinc/97/55/64/508975564.db2.gz YAOXCWZEDNWHNV-INIZCTEOSA-N 1 2 356.382 2.774 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000125385327 508975567 /nfs/dbraw/zinc/97/55/67/508975567.db2.gz YAOXCWZEDNWHNV-INIZCTEOSA-N 1 2 356.382 2.774 20 5 FFBDLO Cc1ccccc1[C@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000126212482 509071934 /nfs/dbraw/zinc/07/19/34/509071934.db2.gz WHGSUUJEUFYTSY-FXAWDEMLSA-N 1 2 372.421 2.716 20 5 FFBDLO Cc1ccccc1[C@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000126212482 509071940 /nfs/dbraw/zinc/07/19/40/509071940.db2.gz WHGSUUJEUFYTSY-FXAWDEMLSA-N 1 2 372.421 2.716 20 5 FFBDLO O=C(NCCc1cn2ccccc2[nH+]1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000121365728 509169915 /nfs/dbraw/zinc/16/99/15/509169915.db2.gz XKODGQVLKBIWGZ-UHFFFAOYSA-N 1 2 361.361 2.763 20 5 FFBDLO C[C@@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000266822764 509212038 /nfs/dbraw/zinc/21/20/38/509212038.db2.gz JSZCDWIIPJDXBQ-OAHLLOKOSA-N 1 2 369.421 2.918 20 5 FFBDLO CCn1nc(C)c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1C ZINC000172814858 509253638 /nfs/dbraw/zinc/25/36/38/509253638.db2.gz YYNUUELVUZLVJZ-UHFFFAOYSA-N 1 2 354.370 2.866 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1Cc2ccccc2C[C@H]1C ZINC000172905858 509301902 /nfs/dbraw/zinc/30/19/02/509301902.db2.gz LKCKNODIHNHGRD-CYBMUJFWSA-N 1 2 355.394 2.989 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1Cc2ccccc2C[C@H]1C ZINC000172905858 509301911 /nfs/dbraw/zinc/30/19/11/509301911.db2.gz LKCKNODIHNHGRD-CYBMUJFWSA-N 1 2 355.394 2.989 20 5 FFBDLO Nc1c(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cccc1[N+](=O)[O-] ZINC000176125349 509334895 /nfs/dbraw/zinc/33/48/95/509334895.db2.gz YXIWMIGMVQLYSH-UHFFFAOYSA-N 1 2 361.427 2.872 20 5 FFBDLO O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000173009933 509348472 /nfs/dbraw/zinc/34/84/72/509348472.db2.gz GFUPZLVQCJGARH-UHFFFAOYSA-N 1 2 355.394 2.608 20 5 FFBDLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000192107488 509349009 /nfs/dbraw/zinc/34/90/09/509349009.db2.gz PXSVXAQENMPCRL-JSGCOSHPSA-N 1 2 350.419 2.596 20 5 FFBDLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000192107488 509349016 /nfs/dbraw/zinc/34/90/16/509349016.db2.gz PXSVXAQENMPCRL-JSGCOSHPSA-N 1 2 350.419 2.596 20 5 FFBDLO COc1cc(C(=O)NCCCCNc2cccc[nH+]2)c([N+](=O)[O-])cc1OC ZINC000264199004 509376933 /nfs/dbraw/zinc/37/69/33/509376933.db2.gz SDGSIARENFSIMO-UHFFFAOYSA-N 1 2 374.397 2.629 20 5 FFBDLO Cc1cc(C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)c(N)c([N+](=O)[O-])c1 ZINC000264209848 509383986 /nfs/dbraw/zinc/38/39/86/509383986.db2.gz HNJLKZWSNRJKSB-UHFFFAOYSA-N 1 2 371.319 2.516 20 5 FFBDLO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000179479640 509467917 /nfs/dbraw/zinc/46/79/17/509467917.db2.gz CTGHGKDSZYHWHA-MRXNPFEDSA-N 1 2 369.421 2.595 20 5 FFBDLO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000179479640 509467927 /nfs/dbraw/zinc/46/79/27/509467927.db2.gz CTGHGKDSZYHWHA-MRXNPFEDSA-N 1 2 369.421 2.595 20 5 FFBDLO C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000189510367 509610850 /nfs/dbraw/zinc/61/08/50/509610850.db2.gz FROOFUSCVFKVHA-WBMJQRKESA-N 1 2 350.806 2.907 20 5 FFBDLO C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000189510367 509610852 /nfs/dbraw/zinc/61/08/52/509610852.db2.gz FROOFUSCVFKVHA-WBMJQRKESA-N 1 2 350.806 2.907 20 5 FFBDLO C[C@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000183215720 509662239 /nfs/dbraw/zinc/66/22/39/509662239.db2.gz NSEQVLBDKMAKKK-LLVKDONJSA-N 1 2 368.846 2.989 20 5 FFBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000268038705 509730375 /nfs/dbraw/zinc/73/03/75/509730375.db2.gz HAWRICMHLORRPQ-JTQLQIEISA-N 1 2 370.818 2.540 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)c1 ZINC000173766314 509764200 /nfs/dbraw/zinc/76/42/00/509764200.db2.gz ZPZXSFPYSIKGRE-OAHLLOKOSA-N 1 2 354.410 2.817 20 5 FFBDLO O=C(C[NH+]1CCC(C(F)(F)F)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000173768720 509766485 /nfs/dbraw/zinc/76/64/85/509766485.db2.gz PHAAUTCZPHWRDU-UHFFFAOYSA-N 1 2 357.332 2.758 20 5 FFBDLO C[C@@H]1CN(CC[N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H](C)O1 ZINC000193401108 509899044 /nfs/dbraw/zinc/89/90/44/509899044.db2.gz DBIKXHMOXSGJRI-BETUJISGSA-N 1 2 373.400 2.737 20 5 FFBDLO C[C@@H]1CN(CC[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H](C)O1 ZINC000193401108 509899051 /nfs/dbraw/zinc/89/90/51/509899051.db2.gz DBIKXHMOXSGJRI-BETUJISGSA-N 1 2 373.400 2.737 20 5 FFBDLO O=C(NCc1[nH+]ccn1CCc1ccccc1)Nc1ccncc1[N+](=O)[O-] ZINC000183647861 509904907 /nfs/dbraw/zinc/90/49/07/509904907.db2.gz FHJIERXFPQEQTG-UHFFFAOYSA-N 1 2 366.381 2.751 20 5 FFBDLO Cc1c(C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)cccc1[N+](=O)[O-] ZINC000265203838 509918963 /nfs/dbraw/zinc/91/89/63/509918963.db2.gz DTKHMYHRFYPART-OAHLLOKOSA-N 1 2 354.410 2.817 20 5 FFBDLO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000171146029 509969329 /nfs/dbraw/zinc/96/93/29/509969329.db2.gz GHMIHFGRGTYIQM-UHFFFAOYSA-N 1 2 361.427 2.791 20 5 FFBDLO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000171146029 509969339 /nfs/dbraw/zinc/96/93/39/509969339.db2.gz GHMIHFGRGTYIQM-UHFFFAOYSA-N 1 2 361.427 2.791 20 5 FFBDLO COC(=O)c1cc(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc(C)c1[N+](=O)[O-] ZINC000268502595 509974110 /nfs/dbraw/zinc/97/41/10/509974110.db2.gz SQQZNHJPOVFMOS-WBMJQRKESA-N 1 2 358.398 2.974 20 5 FFBDLO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000193679367 510017533 /nfs/dbraw/zinc/01/75/33/510017533.db2.gz NRGGQVAEFJMWPI-LLVKDONJSA-N 1 2 367.365 2.681 20 5 FFBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)c1 ZINC000171590108 510241072 /nfs/dbraw/zinc/24/10/72/510241072.db2.gz PHQXJSYIXUFBNI-CYBMUJFWSA-N 1 2 359.382 2.715 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CCS[C@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000246095477 510289720 /nfs/dbraw/zinc/28/97/20/510289720.db2.gz HPQFRXRYJXSPRF-ZBFHGGJFSA-N 1 2 365.455 2.902 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CCS[C@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000246095477 510289726 /nfs/dbraw/zinc/28/97/26/510289726.db2.gz HPQFRXRYJXSPRF-ZBFHGGJFSA-N 1 2 365.455 2.902 20 5 FFBDLO CSc1ccc(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000194654295 510467836 /nfs/dbraw/zinc/46/78/36/510467836.db2.gz JHWMVQAQPFQGGV-UHFFFAOYSA-N 1 2 369.406 2.827 20 5 FFBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+](CCO)CCOCC(F)(F)F)c1 ZINC000172180503 510586337 /nfs/dbraw/zinc/58/63/37/510586337.db2.gz OKELUXZVGOACQE-UHFFFAOYSA-N 1 2 356.728 2.621 20 5 FFBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+](CCO)CCOCC(F)(F)F)c1 ZINC000172180503 510586339 /nfs/dbraw/zinc/58/63/39/510586339.db2.gz OKELUXZVGOACQE-UHFFFAOYSA-N 1 2 356.728 2.621 20 5 FFBDLO COc1ccc(C(=O)NC(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000181829063 510614927 /nfs/dbraw/zinc/61/49/27/510614927.db2.gz IOKPOZABBCISKH-CYBMUJFWSA-N 1 2 371.393 2.519 20 5 FFBDLO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)CO1 ZINC000181934470 510667435 /nfs/dbraw/zinc/66/74/35/510667435.db2.gz SMYALAAXMIJQMP-AYBZRNKSSA-N 1 2 372.421 2.797 20 5 FFBDLO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)CO1 ZINC000181934470 510667441 /nfs/dbraw/zinc/66/74/41/510667441.db2.gz SMYALAAXMIJQMP-AYBZRNKSSA-N 1 2 372.421 2.797 20 5 FFBDLO CCC[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCCCO1 ZINC000182157266 510787220 /nfs/dbraw/zinc/78/72/20/510787220.db2.gz PYBWRZNOCGDHJV-MRXNPFEDSA-N 1 2 370.471 2.650 20 5 FFBDLO CCC[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCCCO1 ZINC000182157266 510787223 /nfs/dbraw/zinc/78/72/23/510787223.db2.gz PYBWRZNOCGDHJV-MRXNPFEDSA-N 1 2 370.471 2.650 20 5 FFBDLO C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000182223536 510822113 /nfs/dbraw/zinc/82/21/13/510822113.db2.gz KORLVBVSUVAFAH-CYBMUJFWSA-N 1 2 358.373 2.581 20 5 FFBDLO CC(=O)c1ccc(NC(=O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000285442790 510907484 /nfs/dbraw/zinc/90/74/84/510907484.db2.gz XRODHLLQHXHPET-UHFFFAOYSA-N 1 2 355.394 2.910 20 5 FFBDLO CC(=O)c1ccc(NC(=O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000285442790 510907488 /nfs/dbraw/zinc/90/74/88/510907488.db2.gz XRODHLLQHXHPET-UHFFFAOYSA-N 1 2 355.394 2.910 20 5 FFBDLO CC(C)C(=O)NC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000271080281 511077311 /nfs/dbraw/zinc/07/73/11/511077311.db2.gz QTODFHFCIRMWJJ-UHFFFAOYSA-N 1 2 371.384 2.933 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)c1 ZINC000297858568 511090600 /nfs/dbraw/zinc/09/06/00/511090600.db2.gz YIRJVPPENUFEEX-HNNXBMFYSA-N 1 2 358.398 2.950 20 5 FFBDLO O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000294750462 511165676 /nfs/dbraw/zinc/16/56/76/511165676.db2.gz YWBBHPOOXDZVEZ-ZDUSSCGKSA-N 1 2 366.381 2.728 20 5 FFBDLO C[C@H]1OCC[C@]12C[N@H+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)CCO2 ZINC000280251169 511391428 /nfs/dbraw/zinc/39/14/28/511391428.db2.gz BYUZNGKUAOWMFP-ACJLOTCBSA-N 1 2 359.382 2.630 20 5 FFBDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)CCO2 ZINC000280251169 511391433 /nfs/dbraw/zinc/39/14/33/511391433.db2.gz BYUZNGKUAOWMFP-ACJLOTCBSA-N 1 2 359.382 2.630 20 5 FFBDLO CC(C)(C)[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H]1O ZINC000272088167 511427541 /nfs/dbraw/zinc/42/75/41/511427541.db2.gz KREDGEXOEFFIDB-WMLDXEAASA-N 1 2 372.425 2.650 20 5 FFBDLO O=[N+]([O-])c1cc2ccccc2nc1N1CCC([C@H](O)c2[nH]cc[nH+]2)CC1 ZINC000365451369 511457742 /nfs/dbraw/zinc/45/77/42/511457742.db2.gz ODXKUWRRWGJXBE-INIZCTEOSA-N 1 2 353.382 2.816 20 5 FFBDLO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280897552 511646604 /nfs/dbraw/zinc/64/66/04/511646604.db2.gz DNSFFXUPGKWUFB-MRXNPFEDSA-N 1 2 369.421 2.895 20 5 FFBDLO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280897552 511646609 /nfs/dbraw/zinc/64/66/09/511646609.db2.gz DNSFFXUPGKWUFB-MRXNPFEDSA-N 1 2 369.421 2.895 20 5 FFBDLO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCn2c[nH+]cc2C1 ZINC000365876241 511704315 /nfs/dbraw/zinc/70/43/15/511704315.db2.gz JGBAWQJKKXNKEU-NSHDSACASA-N 1 2 368.315 2.689 20 5 FFBDLO COc1cc(C[NH+]2CCC(O)(C(F)(F)F)CC2)c([N+](=O)[O-])cc1F ZINC000274319884 511793363 /nfs/dbraw/zinc/79/33/63/511793363.db2.gz ONINMLBOAAQIMP-UHFFFAOYSA-N 1 2 352.284 2.632 20 5 FFBDLO Cn1cc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c(C(F)F)n1 ZINC000274466866 511845420 /nfs/dbraw/zinc/84/54/20/511845420.db2.gz IVOGUSQQBFEOHI-UHFFFAOYSA-N 1 2 351.357 2.588 20 5 FFBDLO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)Cn1cc[nH+]c1 ZINC000293145753 511857256 /nfs/dbraw/zinc/85/72/56/511857256.db2.gz LOIIWGQYKJTUHN-SNVBAGLBSA-N 1 2 356.304 2.876 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCS(=O)(=O)c3ccc(F)cc32)cc1 ZINC000363945752 511866706 /nfs/dbraw/zinc/86/67/06/511866706.db2.gz AYUACSIGVSJJDD-OAHLLOKOSA-N 1 2 350.371 2.742 20 5 FFBDLO Cc1c(C[N@H+]2CCN(C)[C@@H](c3nc(C4CC4)no3)C2)cccc1[N+](=O)[O-] ZINC000284806189 511876826 /nfs/dbraw/zinc/87/68/26/511876826.db2.gz IJNOZCCLLWWJNM-MRXNPFEDSA-N 1 2 357.414 2.652 20 5 FFBDLO Cc1c(C[N@@H+]2CCN(C)[C@@H](c3nc(C4CC4)no3)C2)cccc1[N+](=O)[O-] ZINC000284806189 511876833 /nfs/dbraw/zinc/87/68/33/511876833.db2.gz IJNOZCCLLWWJNM-MRXNPFEDSA-N 1 2 357.414 2.652 20 5 FFBDLO CC(C)OC[C@H](O)C[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284897942 511919173 /nfs/dbraw/zinc/91/91/73/511919173.db2.gz UQTLSQYZGBNJRY-LLVKDONJSA-N 1 2 373.247 2.501 20 5 FFBDLO CC(C)OC[C@H](O)C[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284897942 511919175 /nfs/dbraw/zinc/91/91/75/511919175.db2.gz UQTLSQYZGBNJRY-LLVKDONJSA-N 1 2 373.247 2.501 20 5 FFBDLO Cc1ccc(NC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)cc1[N+](=O)[O-] ZINC000275283957 512095934 /nfs/dbraw/zinc/09/59/34/512095934.db2.gz LDOKILJVSBJCEJ-CJNGLKHVSA-N 1 2 359.386 2.679 20 5 FFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000373934606 512580181 /nfs/dbraw/zinc/58/01/81/512580181.db2.gz BHQJDDASLODJEX-KBPBESRZSA-N 1 2 355.398 2.591 20 5 FFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000373934606 512580187 /nfs/dbraw/zinc/58/01/87/512580187.db2.gz BHQJDDASLODJEX-KBPBESRZSA-N 1 2 355.398 2.591 20 5 FFBDLO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378081502 512580193 /nfs/dbraw/zinc/58/01/93/512580193.db2.gz YOQPJAPRYDZFJV-UHFFFAOYSA-N 1 2 366.381 2.523 20 5 FFBDLO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378081502 512580199 /nfs/dbraw/zinc/58/01/99/512580199.db2.gz YOQPJAPRYDZFJV-UHFFFAOYSA-N 1 2 366.381 2.523 20 5 FFBDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000374302132 512754894 /nfs/dbraw/zinc/75/48/94/512754894.db2.gz MVTYWIKCDZHDRD-QGZVFWFLSA-N 1 2 360.414 2.777 20 5 FFBDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000374302132 512754897 /nfs/dbraw/zinc/75/48/97/512754897.db2.gz MVTYWIKCDZHDRD-QGZVFWFLSA-N 1 2 360.414 2.777 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000374367366 512794586 /nfs/dbraw/zinc/79/45/86/512794586.db2.gz SMOYIVXNIFLHMK-AWEZNQCLSA-N 1 2 357.414 2.537 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000372487885 512900258 /nfs/dbraw/zinc/90/02/58/512900258.db2.gz UTPUFIMEXZERDI-MJBXVCDLSA-N 1 2 364.446 2.803 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000372487885 512900261 /nfs/dbraw/zinc/90/02/61/512900261.db2.gz UTPUFIMEXZERDI-MJBXVCDLSA-N 1 2 364.446 2.803 20 5 FFBDLO O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cc[nH+]cc1O ZINC000409451877 513107396 /nfs/dbraw/zinc/10/73/96/513107396.db2.gz KLSAMEQHYWDONM-UHFFFAOYSA-N 1 2 370.287 2.577 20 5 FFBDLO CC(C)c1nnc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[nH]1 ZINC000450298919 513130758 /nfs/dbraw/zinc/13/07/58/513130758.db2.gz OAOYKPHOAUOXLE-NSHDSACASA-N 1 2 369.385 2.513 20 5 FFBDLO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000428700882 513167663 /nfs/dbraw/zinc/16/76/63/513167663.db2.gz PKIZNQVVMMFIDS-UHFFFAOYSA-N 1 2 356.419 2.525 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@H]1[C@H]1CCCC1=O ZINC000450478631 513213687 /nfs/dbraw/zinc/21/36/87/513213687.db2.gz HXFWWKOUGDYIHF-CABCVRRESA-N 1 2 368.393 2.754 20 5 FFBDLO C[C@@H]1C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)Cc2ccccc2O1 ZINC000429171314 513296938 /nfs/dbraw/zinc/29/69/38/513296938.db2.gz NECUSKRWIYEJMV-KDOFPFPSSA-N 1 2 367.405 2.983 20 5 FFBDLO C[C@@H]1C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)Cc2ccccc2O1 ZINC000429171314 513296945 /nfs/dbraw/zinc/29/69/45/513296945.db2.gz NECUSKRWIYEJMV-KDOFPFPSSA-N 1 2 367.405 2.983 20 5 FFBDLO C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[NH+]1CCOc1ccccc1[N+](=O)[O-] ZINC000429371269 513355671 /nfs/dbraw/zinc/35/56/71/513355671.db2.gz YFXQABCBUZXQFE-GJZGRUSLSA-N 1 2 363.458 2.941 20 5 FFBDLO Cc1cccc([C@H](CNc2ncc([N+](=O)[O-])cc2F)[NH+]2CCOCC2)c1 ZINC000413048374 513407091 /nfs/dbraw/zinc/40/70/91/513407091.db2.gz AUVPNYYBWOWUCY-KRWDZBQOSA-N 1 2 360.389 2.923 20 5 FFBDLO COc1cc(C[N@H+](C(C)C)C2COC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000451119765 513534700 /nfs/dbraw/zinc/53/47/00/513534700.db2.gz HJENIPGBEWDXQX-UHFFFAOYSA-N 1 2 360.357 2.857 20 5 FFBDLO COc1cc(C[N@@H+](C(C)C)C2COC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000451119765 513534709 /nfs/dbraw/zinc/53/47/09/513534709.db2.gz HJENIPGBEWDXQX-UHFFFAOYSA-N 1 2 360.357 2.857 20 5 FFBDLO C[NH+](C)[C@@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1c(F)cccc1F ZINC000447679759 513539395 /nfs/dbraw/zinc/53/93/95/513539395.db2.gz OVPFEYMPFXIRFF-HNNXBMFYSA-N 1 2 361.352 2.886 20 5 FFBDLO Nc1nccc([C@@H]2CCCN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)C2)n1 ZINC000413263624 513555213 /nfs/dbraw/zinc/55/52/13/513555213.db2.gz ISQFSYDBGCENNM-CYBMUJFWSA-N 1 2 350.382 2.730 20 5 FFBDLO CC(C)[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])c1nncn1C ZINC000425439523 513567151 /nfs/dbraw/zinc/56/71/51/513567151.db2.gz APTGLGMAYDNXHA-CYBMUJFWSA-N 1 2 368.235 2.973 20 5 FFBDLO CO[C@H](CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])CC(C)C ZINC000418999743 513712742 /nfs/dbraw/zinc/71/27/42/513712742.db2.gz XFQRTJQHHKXVAT-INIZCTEOSA-N 1 2 351.447 2.900 20 5 FFBDLO COC1(C(F)(F)F)CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000419356869 513785662 /nfs/dbraw/zinc/78/56/62/513785662.db2.gz SZFDKZGRKYKGBJ-UHFFFAOYSA-N 1 2 361.320 2.577 20 5 FFBDLO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3nnn(CC(F)(F)F)n3)C2)cc1 ZINC000451548415 513826046 /nfs/dbraw/zinc/82/60/46/513826046.db2.gz MZGJPONRXLPUPU-GFCCVEGCSA-N 1 2 370.335 2.523 20 5 FFBDLO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3nnn(CC(F)(F)F)n3)C2)cc1 ZINC000451548415 513826052 /nfs/dbraw/zinc/82/60/52/513826052.db2.gz MZGJPONRXLPUPU-GFCCVEGCSA-N 1 2 370.335 2.523 20 5 FFBDLO CCCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H](C)C(=O)OCC ZINC000436350903 513834747 /nfs/dbraw/zinc/83/47/47/513834747.db2.gz AUGIOKYYIHOJHG-CYBMUJFWSA-N 1 2 374.397 2.584 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000451680559 513907768 /nfs/dbraw/zinc/90/77/68/513907768.db2.gz KDFYATNFPYTLMZ-QGZVFWFLSA-N 1 2 356.382 2.559 20 5 FFBDLO C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@@H+]1Cc1ccccc1 ZINC000436748821 513967072 /nfs/dbraw/zinc/96/70/72/513967072.db2.gz HMFSDDWQJCCOQK-DYVFJYSZSA-N 1 2 355.394 2.693 20 5 FFBDLO C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@H+]1Cc1ccccc1 ZINC000436748821 513967080 /nfs/dbraw/zinc/96/70/80/513967080.db2.gz HMFSDDWQJCCOQK-DYVFJYSZSA-N 1 2 355.394 2.693 20 5 FFBDLO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000436929107 514037402 /nfs/dbraw/zinc/03/74/02/514037402.db2.gz UNOLPHBTBWANDD-HOCLYGCPSA-N 1 2 369.421 2.941 20 5 FFBDLO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000436929107 514037413 /nfs/dbraw/zinc/03/74/13/514037413.db2.gz UNOLPHBTBWANDD-HOCLYGCPSA-N 1 2 369.421 2.941 20 5 FFBDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444282216 514179083 /nfs/dbraw/zinc/17/90/83/514179083.db2.gz AYYBEPWYDIUJTC-CHWSQXEVSA-N 1 2 367.424 2.985 20 5 FFBDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444282216 514179089 /nfs/dbraw/zinc/17/90/89/514179089.db2.gz AYYBEPWYDIUJTC-CHWSQXEVSA-N 1 2 367.424 2.985 20 5 FFBDLO CCC(CC)[C@H](C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000452180020 514235082 /nfs/dbraw/zinc/23/50/82/514235082.db2.gz ARJWSNHGYNNDKB-KBXCAEBGSA-N 1 2 363.458 2.909 20 5 FFBDLO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1nc2ccccc2n1C(F)F ZINC000444664465 514286912 /nfs/dbraw/zinc/28/69/12/514286912.db2.gz QXBYWFOTYWFTAN-SECBINFHSA-N 1 2 350.329 2.924 20 5 FFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000427735189 514297682 /nfs/dbraw/zinc/29/76/82/514297682.db2.gz IBUSTPMUTDLWLS-AWEZNQCLSA-N 1 2 367.471 2.547 20 5 FFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000427735189 514297685 /nfs/dbraw/zinc/29/76/85/514297685.db2.gz IBUSTPMUTDLWLS-AWEZNQCLSA-N 1 2 367.471 2.547 20 5 FFBDLO CC(C)[C@@H]1OCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450060466 514484167 /nfs/dbraw/zinc/48/41/67/514484167.db2.gz WGNCVHFWSNMFEI-YJBOKZPZSA-N 1 2 372.425 2.962 20 5 FFBDLO O=[N+]([O-])c1cccc(CS(=O)(=O)Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC000445546909 514492431 /nfs/dbraw/zinc/49/24/31/514492431.db2.gz FYOVBESYUBJSRA-UHFFFAOYSA-N 1 2 371.418 2.955 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](C[C@H]2CCC(F)(F)C2)CC1 ZINC000450251576 514566299 /nfs/dbraw/zinc/56/62/99/514566299.db2.gz BRGSWPVHRSOJBE-NSHDSACASA-N 1 2 359.398 2.850 20 5 FFBDLO COc1c(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cccc1[N+](=O)[O-] ZINC000475163567 514576643 /nfs/dbraw/zinc/57/66/43/514576643.db2.gz GEUXTIBTAYIFPY-UHFFFAOYSA-N 1 2 370.340 2.858 20 5 FFBDLO O=C(N[C@H]1COc2ccc(F)cc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000466278871 514594742 /nfs/dbraw/zinc/59/47/42/514594742.db2.gz ZAVPENKPVBNPLV-AWEZNQCLSA-N 1 2 368.324 2.783 20 5 FFBDLO CN(C(=O)c1ccccc1C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000484526127 514676304 /nfs/dbraw/zinc/67/63/04/514676304.db2.gz JXVZFWFYTBTFMK-UHFFFAOYSA-N 1 2 355.394 2.704 20 5 FFBDLO Cc1cc(NCCO[C@H]2CCCCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000461890641 514770784 /nfs/dbraw/zinc/77/07/84/514770784.db2.gz NPSHBUMKWZMBIG-KRWDZBQOSA-N 1 2 358.398 2.737 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(Oc2ccccn2)CC1 ZINC000471160106 514776867 /nfs/dbraw/zinc/77/68/67/514776867.db2.gz LQNCZQFUMDCZAI-CQSZACIVSA-N 1 2 370.409 2.860 20 5 FFBDLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498152669 514780733 /nfs/dbraw/zinc/78/07/33/514780733.db2.gz KCOXCDGCJMDCMD-CXAGYDPISA-N 1 2 358.423 2.628 20 5 FFBDLO CC/C=C/CC[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000466831341 514794061 /nfs/dbraw/zinc/79/40/61/514794061.db2.gz KWUURYBQOSEBRR-SNAWJCMRSA-N 1 2 367.471 2.566 20 5 FFBDLO O=[N+]([O-])c1ccc(NCCCn2cc[nH+]c2)nc1OCc1ccccc1 ZINC000462439790 515053860 /nfs/dbraw/zinc/05/38/60/515053860.db2.gz HDWWSWFWAFCLOD-UHFFFAOYSA-N 1 2 353.382 2.689 20 5 FFBDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc([N+](=O)[O-])n3C)n2)C1 ZINC000509246446 515090192 /nfs/dbraw/zinc/09/01/92/515090192.db2.gz LGLUHPQDDBGNFF-NSHDSACASA-N 1 2 363.443 2.874 20 5 FFBDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc([N+](=O)[O-])n3C)n2)C1 ZINC000509246446 515090198 /nfs/dbraw/zinc/09/01/98/515090198.db2.gz LGLUHPQDDBGNFF-NSHDSACASA-N 1 2 363.443 2.874 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000476667677 515149221 /nfs/dbraw/zinc/14/92/21/515149221.db2.gz BCKWYMRUZOMJTQ-OAHLLOKOSA-N 1 2 372.429 2.505 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000476667677 515149228 /nfs/dbraw/zinc/14/92/28/515149228.db2.gz BCKWYMRUZOMJTQ-OAHLLOKOSA-N 1 2 372.429 2.505 20 5 FFBDLO CNc1c(C(=O)NCc2ccccc2-n2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000462765244 515230801 /nfs/dbraw/zinc/23/08/01/515230801.db2.gz VWUBFAQUMQNNGQ-UHFFFAOYSA-N 1 2 351.366 2.752 20 5 FFBDLO CCOc1ncccc1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000472341923 515233256 /nfs/dbraw/zinc/23/32/56/515233256.db2.gz ATPKEGMHMRICCP-UHFFFAOYSA-N 1 2 372.425 2.833 20 5 FFBDLO O=C1C[N@H+](Cc2cccc(NC/C=C/c3ccccc3[N+](=O)[O-])c2)CCN1 ZINC000462826519 515259332 /nfs/dbraw/zinc/25/93/32/515259332.db2.gz PFPDVZJWHRQBMY-QPJJXVBHSA-N 1 2 366.421 2.652 20 5 FFBDLO O=C1C[N@@H+](Cc2cccc(NC/C=C/c3ccccc3[N+](=O)[O-])c2)CCN1 ZINC000462826519 515259338 /nfs/dbraw/zinc/25/93/38/515259338.db2.gz PFPDVZJWHRQBMY-QPJJXVBHSA-N 1 2 366.421 2.652 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(C(F)F)CC1 ZINC000486131003 515347803 /nfs/dbraw/zinc/34/78/03/515347803.db2.gz SOQVFACANYMMLO-SNVBAGLBSA-N 1 2 357.357 2.908 20 5 FFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCCN(Cc3cscn3)CC2)c(F)c1 ZINC000491204562 515395450 /nfs/dbraw/zinc/39/54/50/515395450.db2.gz ASMOTFMBKFFFRB-UHFFFAOYSA-N 1 2 350.419 2.898 20 5 FFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCCN(Cc3cscn3)CC2)c(F)c1 ZINC000491204562 515395457 /nfs/dbraw/zinc/39/54/57/515395457.db2.gz ASMOTFMBKFFFRB-UHFFFAOYSA-N 1 2 350.419 2.898 20 5 FFBDLO O=[N+]([O-])c1ccc(CN2CCC[N@H+](Cc3cscn3)CC2)c(F)c1 ZINC000491204562 515395463 /nfs/dbraw/zinc/39/54/63/515395463.db2.gz ASMOTFMBKFFFRB-UHFFFAOYSA-N 1 2 350.419 2.898 20 5 FFBDLO O=[N+]([O-])c1ccc(CN2CCC[N@@H+](Cc3cscn3)CC2)c(F)c1 ZINC000491204562 515395468 /nfs/dbraw/zinc/39/54/68/515395468.db2.gz ASMOTFMBKFFFRB-UHFFFAOYSA-N 1 2 350.419 2.898 20 5 FFBDLO C[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000505355387 515512127 /nfs/dbraw/zinc/51/21/27/515512127.db2.gz HSTQVKLSQGDZQA-LLVKDONJSA-N 1 2 361.423 2.539 20 5 FFBDLO C[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000505355387 515512134 /nfs/dbraw/zinc/51/21/34/515512134.db2.gz HSTQVKLSQGDZQA-LLVKDONJSA-N 1 2 361.423 2.539 20 5 FFBDLO CC(C)(C)c1ccc(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000505512858 515565791 /nfs/dbraw/zinc/56/57/91/515565791.db2.gz FAFFRFSXTXZWIA-UHFFFAOYSA-N 1 2 363.458 2.733 20 5 FFBDLO CC(C)(C)c1ccc(C(=O)NCC[N@H+]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000505512858 515565799 /nfs/dbraw/zinc/56/57/99/515565799.db2.gz FAFFRFSXTXZWIA-UHFFFAOYSA-N 1 2 363.458 2.733 20 5 FFBDLO CCc1cc(N[C@H]2CC[C@H](CO)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000468933108 515587361 /nfs/dbraw/zinc/58/73/61/515587361.db2.gz LPIZAUDYGOALOM-SAZUREKKSA-N 1 2 356.426 2.999 20 5 FFBDLO CC(C)[C@H](C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000473360269 515587867 /nfs/dbraw/zinc/58/78/67/515587867.db2.gz XQLVENIYLKHKLH-BFQNTYOBSA-N 1 2 353.394 2.806 20 5 FFBDLO CC(C)[C@H](C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000473360269 515587877 /nfs/dbraw/zinc/58/78/77/515587877.db2.gz XQLVENIYLKHKLH-BFQNTYOBSA-N 1 2 353.394 2.806 20 5 FFBDLO COC(=O)c1cccc2c1CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C2 ZINC000459541015 515632778 /nfs/dbraw/zinc/63/27/78/515632778.db2.gz FMARBSJKUXEDMJ-UHFFFAOYSA-N 1 2 356.378 2.948 20 5 FFBDLO COC(=O)c1cccc2c1CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C2 ZINC000459541015 515632790 /nfs/dbraw/zinc/63/27/90/515632790.db2.gz FMARBSJKUXEDMJ-UHFFFAOYSA-N 1 2 356.378 2.948 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000482445453 515677939 /nfs/dbraw/zinc/67/79/39/515677939.db2.gz BJCAXGMUEZXZIQ-KBXCAEBGSA-N 1 2 350.415 2.763 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000482445453 515677948 /nfs/dbraw/zinc/67/79/48/515677948.db2.gz BJCAXGMUEZXZIQ-KBXCAEBGSA-N 1 2 350.415 2.763 20 5 FFBDLO Cc1cc(C)c(S(=O)(=O)NCc2cn3c(cccc3C)[nH+]2)cc1[N+](=O)[O-] ZINC000493929256 515690251 /nfs/dbraw/zinc/69/02/51/515690251.db2.gz XVTWLDGLXIHRKE-UHFFFAOYSA-N 1 2 374.422 2.646 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(N3CC[C@@H](CNc4cccc[nH+]4)C3)n2)cc1 ZINC000486939667 515692378 /nfs/dbraw/zinc/69/23/78/515692378.db2.gz QJYZOHGWUWZXMD-ZDUSSCGKSA-N 1 2 366.381 2.978 20 5 FFBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000505900312 515718976 /nfs/dbraw/zinc/71/89/76/515718976.db2.gz YOOVGWOGTVNMTJ-CYBMUJFWSA-N 1 2 360.439 2.886 20 5 FFBDLO CC(C)(C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000469226090 515730380 /nfs/dbraw/zinc/73/03/80/515730380.db2.gz KVVMORPTWVUMQF-QGZVFWFLSA-N 1 2 355.394 2.947 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)Cc1cnccc1C ZINC000483020182 515886151 /nfs/dbraw/zinc/88/61/51/515886151.db2.gz VZHDGLXVGZCXEZ-ZDUSSCGKSA-N 1 2 358.398 2.766 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)Cc1cnccc1C ZINC000483020182 515886162 /nfs/dbraw/zinc/88/61/62/515886162.db2.gz VZHDGLXVGZCXEZ-ZDUSSCGKSA-N 1 2 358.398 2.766 20 5 FFBDLO C[C@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000455099877 515956870 /nfs/dbraw/zinc/95/68/70/515956870.db2.gz WWDNRVIAFJHVRG-SUMWQHHRSA-N 1 2 356.382 2.914 20 5 FFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c(F)c1 ZINC000511645959 515977092 /nfs/dbraw/zinc/97/70/92/515977092.db2.gz FSFYRRQATMKMKQ-LDYMZIIASA-N 1 2 354.275 2.866 20 5 FFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c(F)c1 ZINC000511645959 515977103 /nfs/dbraw/zinc/97/71/03/515977103.db2.gz FSFYRRQATMKMKQ-LDYMZIIASA-N 1 2 354.275 2.866 20 5 FFBDLO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cc[nH+]cc3O)cc2[N+](=O)[O-])C1 ZINC000512008555 516114355 /nfs/dbraw/zinc/11/43/55/516114355.db2.gz LOKNOAIPVBVHQA-BETUJISGSA-N 1 2 370.409 2.852 20 5 FFBDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc([N+](=O)[O-])n2C)C[C@H](C)O1 ZINC000501483483 516118277 /nfs/dbraw/zinc/11/82/77/516118277.db2.gz WMOFJFIQMUNEHU-KBPBESRZSA-N 1 2 372.425 2.795 20 5 FFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(Cc2nc(C)no2)CC1 ZINC000470172192 516159974 /nfs/dbraw/zinc/15/99/74/516159974.db2.gz STCGZCUMDIXUPM-UVTDQMKNSA-N 1 2 357.414 2.507 20 5 FFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(Cc2noc(C)n2)CC1 ZINC000470177327 516163264 /nfs/dbraw/zinc/16/32/64/516163264.db2.gz BYDALPXJRJGAHE-GXDHUFHOSA-N 1 2 357.414 2.507 20 5 FFBDLO CC[C@H](C)NC(=O)CN1CC[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000470179416 516166052 /nfs/dbraw/zinc/16/60/52/516166052.db2.gz XGNMNXWPVPDNIW-WBILKINKSA-N 1 2 374.485 2.530 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCc2cc(C)ccc2C1 ZINC000483992642 516273425 /nfs/dbraw/zinc/27/34/25/516273425.db2.gz GPZKFIKRWGAZKI-UHFFFAOYSA-N 1 2 355.394 2.909 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCc2cc(C)ccc2C1 ZINC000483992642 516273428 /nfs/dbraw/zinc/27/34/28/516273428.db2.gz GPZKFIKRWGAZKI-UHFFFAOYSA-N 1 2 355.394 2.909 20 5 FFBDLO C[C@H](CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)n1cc[nH+]c1 ZINC000518193110 516572105 /nfs/dbraw/zinc/57/21/05/516572105.db2.gz UXRQOPNSNBMNKQ-CQSZACIVSA-N 1 2 358.398 2.812 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2[nH+]ccn2CC(C)C)c1 ZINC000540625809 516645953 /nfs/dbraw/zinc/64/59/53/516645953.db2.gz BVAGFBBVKHSKBH-UHFFFAOYSA-N 1 2 360.414 2.841 20 5 FFBDLO Cc1cc(C)c(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c(C)[nH+]1 ZINC000518795311 516778190 /nfs/dbraw/zinc/77/81/90/516778190.db2.gz FAHMVPZDKPCQFU-UHFFFAOYSA-N 1 2 352.354 2.748 20 5 FFBDLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000519033097 516861486 /nfs/dbraw/zinc/86/14/86/516861486.db2.gz GQMPBPOUMROMIA-UHFFFAOYSA-N 1 2 354.341 2.909 20 5 FFBDLO COc1cccc2c1CC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C2 ZINC000541089207 516868476 /nfs/dbraw/zinc/86/84/76/516868476.db2.gz LWRCTMRFYZNFPH-UHFFFAOYSA-N 1 2 355.394 2.909 20 5 FFBDLO COc1cccc2c1CC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C2 ZINC000541089207 516868484 /nfs/dbraw/zinc/86/84/84/516868484.db2.gz LWRCTMRFYZNFPH-UHFFFAOYSA-N 1 2 355.394 2.909 20 5 FFBDLO CN(C)c1[nH]c2ccc(NC(=O)CN(C)c3ccccc3[N+](=O)[O-])cc2[nH+]1 ZINC000555319560 516879412 /nfs/dbraw/zinc/87/94/12/516879412.db2.gz UDPSHAXWKJWKHA-UHFFFAOYSA-N 1 2 368.397 2.612 20 5 FFBDLO O=[N+]([O-])c1cnc2ccc(N3CCC(CCCn4cc[nH+]c4)CC3)nn21 ZINC000541189142 516920300 /nfs/dbraw/zinc/92/03/00/516920300.db2.gz BQARVESEERDWPO-UHFFFAOYSA-N 1 2 355.402 2.531 20 5 FFBDLO C[C@H]1OCC[C@@]1(O)C[N@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000555461988 516935671 /nfs/dbraw/zinc/93/56/71/516935671.db2.gz AWZRCWGJGDQGCO-FOIQADDNSA-N 1 2 372.421 2.843 20 5 FFBDLO C[C@H]1OCC[C@@]1(O)C[N@@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000555461988 516935679 /nfs/dbraw/zinc/93/56/79/516935679.db2.gz AWZRCWGJGDQGCO-FOIQADDNSA-N 1 2 372.421 2.843 20 5 FFBDLO CC(C)c1[nH]nc(-c2nc(Cc3cn4ccccc4[nH+]3)no2)c1[N+](=O)[O-] ZINC000545012164 517021896 /nfs/dbraw/zinc/02/18/96/517021896.db2.gz JTKFMFGHUYLWSO-UHFFFAOYSA-N 1 2 353.342 2.730 20 5 FFBDLO CN(CCc1ccccc1O)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000541503343 517082909 /nfs/dbraw/zinc/08/29/09/517082909.db2.gz WOYSSHHYRAJPPG-UHFFFAOYSA-N 1 2 366.377 2.801 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCc4ccc(O)cc4C3)n2)c1 ZINC000532730910 517119542 /nfs/dbraw/zinc/11/95/42/517119542.db2.gz LLEBMPDWBYANNC-UHFFFAOYSA-N 1 2 352.350 2.909 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCc4ccc(O)cc4C3)n2)c1 ZINC000532730910 517119548 /nfs/dbraw/zinc/11/95/48/517119548.db2.gz LLEBMPDWBYANNC-UHFFFAOYSA-N 1 2 352.350 2.909 20 5 FFBDLO Cc1cc[nH+]cc1N1CCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000532993761 517242665 /nfs/dbraw/zinc/24/26/65/517242665.db2.gz ZBCMVVLKFYDTFZ-OAHLLOKOSA-N 1 2 354.410 2.751 20 5 FFBDLO C[C@@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)[N@@H+]1CCc2sccc2C1 ZINC000541880186 517270269 /nfs/dbraw/zinc/27/02/69/517270269.db2.gz LVWARZPLZCPYKD-NSHDSACASA-N 1 2 361.423 2.539 20 5 FFBDLO C[C@@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)[N@H+]1CCc2sccc2C1 ZINC000541880186 517270276 /nfs/dbraw/zinc/27/02/76/517270276.db2.gz LVWARZPLZCPYKD-NSHDSACASA-N 1 2 361.423 2.539 20 5 FFBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000559579758 517325459 /nfs/dbraw/zinc/32/54/59/517325459.db2.gz BFVVSGMXVHBTRI-UHFFFAOYSA-N 1 2 365.187 2.559 20 5 FFBDLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000533514947 517500999 /nfs/dbraw/zinc/50/09/99/517500999.db2.gz FNGJTJKQUWAHSH-HNNXBMFYSA-N 1 2 369.425 2.732 20 5 FFBDLO Cc1ccc(NC(=O)C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000533514947 517501005 /nfs/dbraw/zinc/50/10/05/517501005.db2.gz FNGJTJKQUWAHSH-HNNXBMFYSA-N 1 2 369.425 2.732 20 5 FFBDLO CC(C)OC1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000516146559 517584268 /nfs/dbraw/zinc/58/42/68/517584268.db2.gz UFFLUNJNENCYRF-UHFFFAOYSA-N 1 2 358.398 2.810 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)nc1 ZINC000546390746 517662951 /nfs/dbraw/zinc/66/29/51/517662951.db2.gz PHJIWWLSBHKZRQ-INIZCTEOSA-N 1 2 367.365 2.613 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)nc1 ZINC000546390746 517662961 /nfs/dbraw/zinc/66/29/61/517662961.db2.gz PHJIWWLSBHKZRQ-INIZCTEOSA-N 1 2 367.365 2.613 20 5 FFBDLO COc1c(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000527512814 517720767 /nfs/dbraw/zinc/72/07/67/517720767.db2.gz CFOPWEZRDGGIRG-MRXNPFEDSA-N 1 2 366.377 2.856 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@@H](CO)c3cccc(F)c3)n2)cc1 ZINC000542881056 517795023 /nfs/dbraw/zinc/79/50/23/517795023.db2.gz LLIVUGRPHLFZDW-HNNXBMFYSA-N 1 2 358.329 2.607 20 5 FFBDLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000553635332 517823934 /nfs/dbraw/zinc/82/39/34/517823934.db2.gz BPLQRMDCDBKPIZ-UHFFFAOYSA-N 1 2 362.349 2.968 20 5 FFBDLO CC(C)(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)c1c[nH+]c[nH]1 ZINC000557158840 517890673 /nfs/dbraw/zinc/89/06/73/517890673.db2.gz HMQVBUGATWEGPN-UHFFFAOYSA-N 1 2 353.176 2.997 20 5 FFBDLO CC(C)(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)c1c[nH]c[nH+]1 ZINC000557158840 517890680 /nfs/dbraw/zinc/89/06/80/517890680.db2.gz HMQVBUGATWEGPN-UHFFFAOYSA-N 1 2 353.176 2.997 20 5 FFBDLO Cc1cc(NCc2ncccc2N(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000517002721 517969282 /nfs/dbraw/zinc/96/92/82/517969282.db2.gz YQHOXEDEALAARI-UHFFFAOYSA-N 1 2 364.409 2.855 20 5 FFBDLO COCc1ccc(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000550475486 518076287 /nfs/dbraw/zinc/07/62/87/518076287.db2.gz XJIVZUYVHZROCG-UHFFFAOYSA-N 1 2 369.421 2.699 20 5 FFBDLO COc1nc(C)cc(C)c1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000554221845 518110280 /nfs/dbraw/zinc/11/02/80/518110280.db2.gz DXXQKZXYHQAUQR-UHFFFAOYSA-N 1 2 356.426 2.937 20 5 FFBDLO COc1cc(C[NH+]2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cc(OC)c1 ZINC000531103688 518138918 /nfs/dbraw/zinc/13/89/18/518138918.db2.gz YJOWVABEAYYIHY-UHFFFAOYSA-N 1 2 371.437 2.930 20 5 FFBDLO COc1cc(CN2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)cc(OC)c1 ZINC000531103688 518138923 /nfs/dbraw/zinc/13/89/23/518138923.db2.gz YJOWVABEAYYIHY-UHFFFAOYSA-N 1 2 371.437 2.930 20 5 FFBDLO O=[N+]([O-])c1ccc(CCCC[NH2+][C@H](c2nnc[nH]2)c2cccnc2)cc1 ZINC000566811135 518213690 /nfs/dbraw/zinc/21/36/90/518213690.db2.gz MXRHOFUMCNANLF-KRWDZBQOSA-N 1 2 352.398 2.810 20 5 FFBDLO Cn1c[nH+]cc1CCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000578459185 518220980 /nfs/dbraw/zinc/22/09/80/518220980.db2.gz DETLDCWMATZVCN-UHFFFAOYSA-N 1 2 353.176 2.662 20 5 FFBDLO CC(C)(C)C(=O)N1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000564219210 518358015 /nfs/dbraw/zinc/35/80/15/518358015.db2.gz SRDKDXWDOWFSJU-UHFFFAOYSA-N 1 2 363.458 2.943 20 5 FFBDLO CC(C)(C)C(=O)N1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000564219210 518358021 /nfs/dbraw/zinc/35/80/21/518358021.db2.gz SRDKDXWDOWFSJU-UHFFFAOYSA-N 1 2 363.458 2.943 20 5 FFBDLO CCc1cc(NCCc2csc(N)n2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000564239980 518364948 /nfs/dbraw/zinc/36/49/48/518364948.db2.gz QQVVNGBEBPRFOT-UHFFFAOYSA-N 1 2 370.438 2.560 20 5 FFBDLO Cc1noc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000564298797 518385754 /nfs/dbraw/zinc/38/57/54/518385754.db2.gz AROLERYYAOJXRT-SFYZADRCSA-N 1 2 353.766 2.617 20 5 FFBDLO Cc1ccccc1OC[C@H](O)C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000564412050 518439077 /nfs/dbraw/zinc/43/90/77/518439077.db2.gz SKOVPRVFJLGRKV-QGZVFWFLSA-N 1 2 358.394 2.538 20 5 FFBDLO Cc1ccccc1OC[C@H](O)C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000564412050 518439084 /nfs/dbraw/zinc/43/90/84/518439084.db2.gz SKOVPRVFJLGRKV-QGZVFWFLSA-N 1 2 358.394 2.538 20 5 FFBDLO Cc1cc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc(C)c1O ZINC000584747295 518457004 /nfs/dbraw/zinc/45/70/04/518457004.db2.gz SYILVUWEEGSETE-UHFFFAOYSA-N 1 2 369.421 2.875 20 5 FFBDLO O=[N+]([O-])c1ccc(NCc2ccc(N3CCOCC3)[nH+]c2)c2cccnc21 ZINC000579694995 518806788 /nfs/dbraw/zinc/80/67/88/518806788.db2.gz PLMTXHWLQKNHGQ-UHFFFAOYSA-N 1 2 365.393 2.987 20 5 FFBDLO O=[N+]([O-])c1cncc(Cl)c1N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000589105297 518915924 /nfs/dbraw/zinc/91/59/24/518915924.db2.gz DIPWFIFMHXSWBZ-UHFFFAOYSA-N 1 2 372.816 2.613 20 5 FFBDLO C[C@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@H](C)S1 ZINC000574028729 518952122 /nfs/dbraw/zinc/95/21/22/518952122.db2.gz CLPJAGSLPZXKKT-KBPBESRZSA-N 1 2 351.472 2.757 20 5 FFBDLO C[C@]1(NC(=O)c2cccc(O)c2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000574215004 519044111 /nfs/dbraw/zinc/04/41/11/519044111.db2.gz SBPYLBBVQKNPHC-IBGZPJMESA-N 1 2 355.394 2.695 20 5 FFBDLO C[C@]1(NC(=O)c2cccc(O)c2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000574215004 519044122 /nfs/dbraw/zinc/04/41/22/519044122.db2.gz SBPYLBBVQKNPHC-IBGZPJMESA-N 1 2 355.394 2.695 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000571470097 519111566 /nfs/dbraw/zinc/11/15/66/519111566.db2.gz OMKRMKVTDIAYRW-UHFFFAOYSA-N 1 2 356.213 2.947 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(C)cn2)c([N+](=O)[O-])c1 ZINC000590754605 519352670 /nfs/dbraw/zinc/35/26/70/519352670.db2.gz MANAWJNZFSIBNH-CYBMUJFWSA-N 1 2 358.398 2.766 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C)cn2)c([N+](=O)[O-])c1 ZINC000590754605 519352677 /nfs/dbraw/zinc/35/26/77/519352677.db2.gz MANAWJNZFSIBNH-CYBMUJFWSA-N 1 2 358.398 2.766 20 5 FFBDLO Cc1ccc2[nH+]c(CNC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)cn2c1 ZINC000578147487 519443630 /nfs/dbraw/zinc/44/36/30/519443630.db2.gz FUTXRXKOJPWJFI-UHFFFAOYSA-N 1 2 363.377 2.891 20 5 FFBDLO Cc1cc(NC[C@H]2CCC[C@@H](CO)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000578167654 519455007 /nfs/dbraw/zinc/45/50/07/519455007.db2.gz ZRUVZJUUQKIPMM-LSDHHAIUSA-N 1 2 356.426 2.993 20 5 FFBDLO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000572154571 519470848 /nfs/dbraw/zinc/47/08/48/519470848.db2.gz BSASIKRNLHJHAV-QGZVFWFLSA-N 1 2 373.457 2.913 20 5 FFBDLO C[C@H]1CO[C@@H](C(F)(F)F)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000591037358 519486976 /nfs/dbraw/zinc/48/69/76/519486976.db2.gz FRHKQBSSQSMQOH-GXFFZTMASA-N 1 2 361.320 2.575 20 5 FFBDLO C[C@H]1CO[C@@H](C(F)(F)F)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000591037358 519486982 /nfs/dbraw/zinc/48/69/82/519486982.db2.gz FRHKQBSSQSMQOH-GXFFZTMASA-N 1 2 361.320 2.575 20 5 FFBDLO Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000578266306 519501816 /nfs/dbraw/zinc/50/18/16/519501816.db2.gz FGYCHQDXIOKSQH-GOSISDBHSA-N 1 2 372.421 2.846 20 5 FFBDLO Cc1cc(C)cc(OC[C@H](O)C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000578266306 519501828 /nfs/dbraw/zinc/50/18/28/519501828.db2.gz FGYCHQDXIOKSQH-GOSISDBHSA-N 1 2 372.421 2.846 20 5 FFBDLO C[C@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000594508752 520008183 /nfs/dbraw/zinc/00/81/83/520008183.db2.gz BXYDYPBXSTWJEN-CJNGLKHVSA-N 1 2 374.441 2.985 20 5 FFBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC(F)(F)c1cccc(F)c1 ZINC000594718261 520109481 /nfs/dbraw/zinc/10/94/81/520109481.db2.gz MLIRURPVSZVNJD-CQSZACIVSA-N 1 2 370.327 2.855 20 5 FFBDLO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000597630040 520145115 /nfs/dbraw/zinc/14/51/15/520145115.db2.gz ASEDYQRKJVIBBK-MRVPVSSYSA-N 1 2 365.187 2.824 20 5 FFBDLO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000597630040 520145122 /nfs/dbraw/zinc/14/51/22/520145122.db2.gz ASEDYQRKJVIBBK-MRVPVSSYSA-N 1 2 365.187 2.824 20 5 FFBDLO Cc1ccc(Cc2noc([C@@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)n2)c[nH+]1 ZINC000612908514 520212925 /nfs/dbraw/zinc/21/29/25/520212925.db2.gz LIRSQKWMGDEMQW-GFCCVEGCSA-N 1 2 367.365 2.763 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NCc1c(C2CC2)cnn1C)c1cccc([N+](=O)[O-])c1 ZINC000595079762 520283992 /nfs/dbraw/zinc/28/39/92/520283992.db2.gz YLZOXNZNSCPKQV-GOSISDBHSA-N 1 2 366.425 2.818 20 5 FFBDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1nnc2n1CCCCC2 ZINC000613062685 520296697 /nfs/dbraw/zinc/29/66/97/520296697.db2.gz ONDXMRPVBVHKDB-OLZOCXBDSA-N 1 2 372.429 2.591 20 5 FFBDLO Cc1nccc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000603833984 520371581 /nfs/dbraw/zinc/37/15/81/520371581.db2.gz BWKRIMITHDCEMF-DZGCQCFKSA-N 1 2 369.425 2.900 20 5 FFBDLO Cc1nccc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000603833984 520371592 /nfs/dbraw/zinc/37/15/92/520371592.db2.gz BWKRIMITHDCEMF-DZGCQCFKSA-N 1 2 369.425 2.900 20 5 FFBDLO O=[N+]([O-])c1ncccc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000603845173 520375350 /nfs/dbraw/zinc/37/53/50/520375350.db2.gz VDMXUNPNYVKTTM-UHFFFAOYSA-N 1 2 362.817 2.844 20 5 FFBDLO CNC(=O)c1ccc(NCc2cccc(-n3cc[nH+]c3)c2)c([N+](=O)[O-])c1 ZINC000609671050 520401133 /nfs/dbraw/zinc/40/11/33/520401133.db2.gz JTUBTODOAQTLKQ-UHFFFAOYSA-N 1 2 351.366 2.752 20 5 FFBDLO COC(=O)c1ccc(-c2ccc(NCC3CCOCC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000600786962 520470208 /nfs/dbraw/zinc/47/02/08/520470208.db2.gz VZYVANSNZSKLHV-UHFFFAOYSA-N 1 2 371.393 2.704 20 5 FFBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000598459223 520627824 /nfs/dbraw/zinc/62/78/24/520627824.db2.gz FUCYOVHVLQLGDM-VHSXEESVSA-N 1 2 352.778 2.626 20 5 FFBDLO C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000598464312 520629863 /nfs/dbraw/zinc/62/98/63/520629863.db2.gz HSBTYQXAFWJGSU-VIFPVBQESA-N 1 2 354.819 2.951 20 5 FFBDLO COC(=O)[C@@H](c1cccc(OC)c1)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000595677778 520642028 /nfs/dbraw/zinc/64/20/28/520642028.db2.gz JYHGVONHEWJPOT-GOSISDBHSA-N 1 2 358.394 2.992 20 5 FFBDLO COC(=O)[C@@H](c1cccc(OC)c1)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000595677778 520642036 /nfs/dbraw/zinc/64/20/36/520642036.db2.gz JYHGVONHEWJPOT-GOSISDBHSA-N 1 2 358.394 2.992 20 5 FFBDLO COC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(OC)c1 ZINC000595683756 520646448 /nfs/dbraw/zinc/64/64/48/520646448.db2.gz JWXQAAJNTDGENE-QGZVFWFLSA-N 1 2 356.382 2.957 20 5 FFBDLO C[C@@]12COC[C@]1(C)C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000595688443 520649843 /nfs/dbraw/zinc/64/98/43/520649843.db2.gz GRUCPYSMYNJAFD-IYBDPMFKSA-N 1 2 353.806 2.545 20 5 FFBDLO C[C@@]12COC[C@]1(C)C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000595688443 520649848 /nfs/dbraw/zinc/64/98/48/520649848.db2.gz GRUCPYSMYNJAFD-IYBDPMFKSA-N 1 2 353.806 2.545 20 5 FFBDLO C[C@@](CO)([NH2+]Cc1ccc(Br)o1)c1cccc([N+](=O)[O-])c1 ZINC000601149374 520661098 /nfs/dbraw/zinc/66/10/98/520661098.db2.gz MKEBHAIKSJPTMK-AWEZNQCLSA-N 1 2 355.188 2.948 20 5 FFBDLO CCOc1ccc(C(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1[N+](=O)[O-] ZINC000610434854 520682181 /nfs/dbraw/zinc/68/21/81/520682181.db2.gz NXLYMIPIMINONS-UHFFFAOYSA-N 1 2 368.393 2.922 20 5 FFBDLO COCc1ncc2c(n1)CCN(c1[nH+]ccc3ccc([N+](=O)[O-])cc31)C2 ZINC000601209012 520686967 /nfs/dbraw/zinc/68/69/67/520686967.db2.gz VDXZEIKBELVYJG-UHFFFAOYSA-N 1 2 351.366 2.642 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000595748624 520694875 /nfs/dbraw/zinc/69/48/75/520694875.db2.gz BLOWZGPUGGFJTH-GTNSWQLSSA-N 1 2 367.833 2.812 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000595748624 520694882 /nfs/dbraw/zinc/69/48/82/520694882.db2.gz BLOWZGPUGGFJTH-GTNSWQLSSA-N 1 2 367.833 2.812 20 5 FFBDLO COCC1(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCCCC1 ZINC000598549591 520697390 /nfs/dbraw/zinc/69/73/90/520697390.db2.gz AFTBSGLIUWIOIF-UHFFFAOYSA-N 1 2 358.398 2.860 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595821742 520745130 /nfs/dbraw/zinc/74/51/30/520745130.db2.gz DSOQQOBROJCXDA-UHFFFAOYSA-N 1 2 359.426 2.733 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595821742 520745140 /nfs/dbraw/zinc/74/51/40/520745140.db2.gz DSOQQOBROJCXDA-UHFFFAOYSA-N 1 2 359.426 2.733 20 5 FFBDLO O=C1C[C@H](c2ccccc2)[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCN1 ZINC000610581204 520751172 /nfs/dbraw/zinc/75/11/72/520751172.db2.gz MVSYBGOXBZPOGX-MRXNPFEDSA-N 1 2 366.377 2.799 20 5 FFBDLO O=C1C[C@H](c2ccccc2)[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCN1 ZINC000610581204 520751178 /nfs/dbraw/zinc/75/11/78/520751178.db2.gz MVSYBGOXBZPOGX-MRXNPFEDSA-N 1 2 366.377 2.799 20 5 FFBDLO CO[C@@H](C)c1nc(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cs1 ZINC000610613324 520763822 /nfs/dbraw/zinc/76/38/22/520763822.db2.gz LJRFZNLNDYFQMB-JTQLQIEISA-N 1 2 365.411 2.820 20 5 FFBDLO COc1ccc(OCC[N@@H+]2CCOc3ccc(O)cc3C2)c([N+](=O)[O-])c1 ZINC000595858522 520773350 /nfs/dbraw/zinc/77/33/50/520773350.db2.gz VCZCFWZYFUXIRX-UHFFFAOYSA-N 1 2 360.366 2.582 20 5 FFBDLO COc1ccc(OCC[N@H+]2CCOc3ccc(O)cc3C2)c([N+](=O)[O-])c1 ZINC000595858522 520773363 /nfs/dbraw/zinc/77/33/63/520773363.db2.gz VCZCFWZYFUXIRX-UHFFFAOYSA-N 1 2 360.366 2.582 20 5 FFBDLO O=C(N[C@H](C1CC1)C1CCOCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000593280163 520876954 /nfs/dbraw/zinc/87/69/54/520876954.db2.gz FVXBKDBBHHIZOQ-GOSISDBHSA-N 1 2 370.409 2.716 20 5 FFBDLO COc1cc(Cc2noc(Cc3cn4c([nH+]3)CCCC4)n2)ccc1[N+](=O)[O-] ZINC000593295493 520890723 /nfs/dbraw/zinc/89/07/23/520890723.db2.gz MOQZHEUVCZKEKH-UHFFFAOYSA-N 1 2 369.381 2.701 20 5 FFBDLO C[C@H]1CN(c2ccc(Nc3c(Cl)cncc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000596080897 520900730 /nfs/dbraw/zinc/90/07/30/520900730.db2.gz PAPRSINKHMFORS-QWRGUYRKSA-N 1 2 363.805 2.817 20 5 FFBDLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000601706315 520913329 /nfs/dbraw/zinc/91/33/29/520913329.db2.gz QHLABEKVFBKXQH-GDBMZVCRSA-N 1 2 369.421 2.798 20 5 FFBDLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000601706315 520913335 /nfs/dbraw/zinc/91/33/35/520913335.db2.gz QHLABEKVFBKXQH-GDBMZVCRSA-N 1 2 369.421 2.798 20 5 FFBDLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000598949547 520938900 /nfs/dbraw/zinc/93/89/00/520938900.db2.gz VSVZBWPDIKPYJG-JTQLQIEISA-N 1 2 354.288 2.555 20 5 FFBDLO COC(=O)c1c(Cl)c(N(C)CCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000596165518 520947471 /nfs/dbraw/zinc/94/74/71/520947471.db2.gz LHBUOOMGSVNYHK-UHFFFAOYSA-N 1 2 352.778 2.758 20 5 FFBDLO COc1cc(N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC000596232692 520986790 /nfs/dbraw/zinc/98/67/90/520986790.db2.gz SAWAMFRDWGUAAV-RYUDHWBXSA-N 1 2 355.822 2.556 20 5 FFBDLO CC(=O)N1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC12CCCCC2 ZINC000618292483 520987062 /nfs/dbraw/zinc/98/70/62/520987062.db2.gz KEPBUPPVZYWTMZ-UHFFFAOYSA-N 1 2 371.441 2.838 20 5 FFBDLO CC(=O)N1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC12CCCCC2 ZINC000618292483 520987071 /nfs/dbraw/zinc/98/70/71/520987071.db2.gz KEPBUPPVZYWTMZ-UHFFFAOYSA-N 1 2 371.441 2.838 20 5 FFBDLO O=C(NCC1CC1)[C@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599025204 520987407 /nfs/dbraw/zinc/98/74/07/520987407.db2.gz MAZOEZYEZCKVRT-HNNXBMFYSA-N 1 2 354.410 2.886 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)nccc2NCc1ccc[nH+]c1N1CCOCC1 ZINC000593458480 521006020 /nfs/dbraw/zinc/00/60/20/521006020.db2.gz RGXKQNIJVZZUSM-UHFFFAOYSA-N 1 2 365.393 2.987 20 5 FFBDLO O=C(C[NH+]1CCC2(CCOC2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000611177854 521026358 /nfs/dbraw/zinc/02/63/58/521026358.db2.gz NLTPEKXFPSRRMH-UHFFFAOYSA-N 1 2 353.806 2.689 20 5 FFBDLO CC(C)O[C@H]1CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000593487053 521026384 /nfs/dbraw/zinc/02/63/84/521026384.db2.gz KRYDTBNBDLVAAA-KRWDZBQOSA-N 1 2 363.458 2.821 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCO[C@@H](C(F)F)CC3)n2)cc1 ZINC000601977190 521052330 /nfs/dbraw/zinc/05/23/30/521052330.db2.gz SAAAOGLEPWDASA-GFCCVEGCSA-N 1 2 354.313 2.501 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCO[C@@H](C(F)F)CC3)n2)cc1 ZINC000601977190 521052340 /nfs/dbraw/zinc/05/23/40/521052340.db2.gz SAAAOGLEPWDASA-GFCCVEGCSA-N 1 2 354.313 2.501 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596599033 521155768 /nfs/dbraw/zinc/15/57/68/521155768.db2.gz QUYVBAKLYGWEMB-UHFFFAOYSA-N 1 2 371.441 2.660 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596599033 521155777 /nfs/dbraw/zinc/15/57/77/521155777.db2.gz QUYVBAKLYGWEMB-UHFFFAOYSA-N 1 2 371.441 2.660 20 5 FFBDLO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611555443 521218352 /nfs/dbraw/zinc/21/83/52/521218352.db2.gz SPTZGLFFPMWJQA-UHFFFAOYSA-N 1 2 352.350 2.725 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000599512186 521268398 /nfs/dbraw/zinc/26/83/98/521268398.db2.gz FLQNTODZQLPUGC-GHMZBOCLSA-N 1 2 357.357 2.765 20 5 FFBDLO COCC[NH+](CCOC)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602429698 521339522 /nfs/dbraw/zinc/33/95/22/521339522.db2.gz SJFVXZAVJCZRLL-UHFFFAOYSA-N 1 2 353.238 2.514 20 5 FFBDLO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602442028 521346742 /nfs/dbraw/zinc/34/67/42/521346742.db2.gz IXLNLJMCSBEGOR-HTQZYQBOSA-N 1 2 362.249 2.505 20 5 FFBDLO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602442028 521346751 /nfs/dbraw/zinc/34/67/51/521346751.db2.gz IXLNLJMCSBEGOR-HTQZYQBOSA-N 1 2 362.249 2.505 20 5 FFBDLO CC(C)[N@H+](Cc1cn(C[C@H]2CCOC2)nn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000602439321 521346943 /nfs/dbraw/zinc/34/69/43/521346943.db2.gz KQWXTDIBTDXEPK-MRXNPFEDSA-N 1 2 359.430 2.633 20 5 FFBDLO CC(C)[N@@H+](Cc1cn(C[C@H]2CCOC2)nn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000602439321 521346949 /nfs/dbraw/zinc/34/69/49/521346949.db2.gz KQWXTDIBTDXEPK-MRXNPFEDSA-N 1 2 359.430 2.633 20 5 FFBDLO Cn1cc(C[N@H+](C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c([N+](=O)[O-])n1 ZINC000602445671 521349478 /nfs/dbraw/zinc/34/94/78/521349478.db2.gz SLFICPXAMUJDNI-KBPBESRZSA-N 1 2 371.224 2.725 20 5 FFBDLO Cn1cc(C[N@@H+](C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c([N+](=O)[O-])n1 ZINC000602445671 521349486 /nfs/dbraw/zinc/34/94/86/521349486.db2.gz SLFICPXAMUJDNI-KBPBESRZSA-N 1 2 371.224 2.725 20 5 FFBDLO COC(=O)[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]2CCC[C@@H]21 ZINC000599655056 521366516 /nfs/dbraw/zinc/36/65/16/521366516.db2.gz OAXAHCDEQNHEMD-XJKCOSOUSA-N 1 2 358.398 2.635 20 5 FFBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]2CCC[C@@H]21 ZINC000599655056 521366523 /nfs/dbraw/zinc/36/65/23/521366523.db2.gz OAXAHCDEQNHEMD-XJKCOSOUSA-N 1 2 358.398 2.635 20 5 FFBDLO NC(=O)C[C@@H]1CCC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602480034 521369278 /nfs/dbraw/zinc/36/92/78/521369278.db2.gz DKJDMUMSXISFRB-QMMMGPOBSA-N 1 2 362.249 2.506 20 5 FFBDLO NC(=O)C[C@@H]1CCC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602480034 521369287 /nfs/dbraw/zinc/36/92/87/521369287.db2.gz DKJDMUMSXISFRB-QMMMGPOBSA-N 1 2 362.249 2.506 20 5 FFBDLO COc1ccc(-c2ccc(C[N@@H+]3CCc4nn[nH]c4C3)o2)c([N+](=O)[O-])c1 ZINC000597249977 521596114 /nfs/dbraw/zinc/59/61/14/521596114.db2.gz PDPSJHMFTBKMLE-UHFFFAOYSA-N 1 2 355.354 2.540 20 5 FFBDLO COc1ccc(-c2ccc(C[N@H+]3CCc4nn[nH]c4C3)o2)c([N+](=O)[O-])c1 ZINC000597249977 521596120 /nfs/dbraw/zinc/59/61/20/521596120.db2.gz PDPSJHMFTBKMLE-UHFFFAOYSA-N 1 2 355.354 2.540 20 5 FFBDLO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Oc1cccc(-n2cc[nH+]c2)c1 ZINC000158994235 728898379 /nfs/dbraw/zinc/89/83/79/728898379.db2.gz HEZWNLUNKCJKCI-UHFFFAOYSA-N 1 2 363.326 2.687 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC000030319780 727901159 /nfs/dbraw/zinc/90/11/59/727901159.db2.gz HOQUSYOOIQWFGZ-UHFFFAOYSA-N 1 2 359.363 2.857 20 5 FFBDLO CCO[C@H]1C[C@@H]([N@H+](C)Cn2cc(Br)c([N+](=O)[O-])n2)C12CCC2 ZINC000127157975 728705557 /nfs/dbraw/zinc/70/55/57/728705557.db2.gz HTVZKNMNEJJILR-NEPJUHHUSA-N 1 2 373.251 2.791 20 5 FFBDLO CCO[C@H]1C[C@@H]([N@@H+](C)Cn2cc(Br)c([N+](=O)[O-])n2)C12CCC2 ZINC000127157975 728705558 /nfs/dbraw/zinc/70/55/58/728705558.db2.gz HTVZKNMNEJJILR-NEPJUHHUSA-N 1 2 373.251 2.791 20 5 FFBDLO C[NH+]1CCN(C2CCN(c3ccc(C(F)F)cc3[N+](=O)[O-])CC2)CC1 ZINC000866212841 731041202 /nfs/dbraw/zinc/04/12/02/731041202.db2.gz JKPTYMAQEIZNNR-UHFFFAOYSA-N 1 2 354.401 2.749 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CCO[C@H](C(F)F)CC3)c2)cc1 ZINC000872680006 731812957 /nfs/dbraw/zinc/81/29/57/731812957.db2.gz ZBXDSZJWJWJLRU-HNNXBMFYSA-N 1 2 352.341 2.772 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3CCO[C@H](C(F)F)CC3)c2)cc1 ZINC000872680006 731812960 /nfs/dbraw/zinc/81/29/60/731812960.db2.gz ZBXDSZJWJWJLRU-HNNXBMFYSA-N 1 2 352.341 2.772 20 5 FFBDLO C[C@@H]1C[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC[C@@H](C(F)(F)F)O1 ZINC000872816623 731836963 /nfs/dbraw/zinc/83/69/63/731836963.db2.gz LCLAQCRXPFUZTI-YGRLFVJLSA-N 1 2 358.320 2.944 20 5 FFBDLO C[C@@H]1C[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC[C@@H](C(F)(F)F)O1 ZINC000872816623 731836965 /nfs/dbraw/zinc/83/69/65/731836965.db2.gz LCLAQCRXPFUZTI-YGRLFVJLSA-N 1 2 358.320 2.944 20 5 FFBDLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000741147706 735120564 /nfs/dbraw/zinc/12/05/64/735120564.db2.gz LLKZBVBUIXIPTI-ZDUSSCGKSA-N 1 2 369.805 2.604 20 5 FFBDLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000741147706 735120566 /nfs/dbraw/zinc/12/05/66/735120566.db2.gz LLKZBVBUIXIPTI-ZDUSSCGKSA-N 1 2 369.805 2.604 20 5 FFBDLO CCn1c[nH+]c2c1CCN(c1cc(Cl)c(C(=O)OC)cc1[N+](=O)[O-])C2 ZINC000896658790 735178574 /nfs/dbraw/zinc/17/85/74/735178574.db2.gz FOTXTGGAEMDKPC-UHFFFAOYSA-N 1 2 364.789 2.814 20 5 FFBDLO O=[N+]([O-])c1cnn(C[NH+]2CCC(COc3ccc(Cl)nc3)CC2)c1 ZINC000788365513 739237633 /nfs/dbraw/zinc/23/76/33/739237633.db2.gz IBUDNPWOGJYTHL-UHFFFAOYSA-N 1 2 351.794 2.588 20 5 FFBDLO COc1cc(C[N@@H+]2CCO[C@@H](C)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000932346723 739437301 /nfs/dbraw/zinc/43/73/01/739437301.db2.gz JFDBGOSBNRJGTE-NSHDSACASA-N 1 2 360.357 2.858 20 5 FFBDLO COc1cc(C[N@H+]2CCO[C@@H](C)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000932346723 739437304 /nfs/dbraw/zinc/43/73/04/739437304.db2.gz JFDBGOSBNRJGTE-NSHDSACASA-N 1 2 360.357 2.858 20 5 FFBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000754989492 736223199 /nfs/dbraw/zinc/22/31/99/736223199.db2.gz RZEJODOGLUJOIX-MRVPVSSYSA-N 1 2 371.166 2.511 20 5 FFBDLO Cc1nc(N2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)cc[nH+]1 ZINC000758947187 736535002 /nfs/dbraw/zinc/53/50/02/736535002.db2.gz VJLUYTMYNGPJLX-UHFFFAOYSA-N 1 2 356.411 2.630 20 5 FFBDLO COC(=O)C[C@H]1CCC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774641159 738008747 /nfs/dbraw/zinc/00/87/47/738008747.db2.gz YXGWHPYCJXYGGS-LLVKDONJSA-N 1 2 352.778 2.583 20 5 FFBDLO COC(=O)C[C@H]1CCC[N@H+]1Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774641159 738008749 /nfs/dbraw/zinc/00/87/49/738008749.db2.gz YXGWHPYCJXYGGS-LLVKDONJSA-N 1 2 352.778 2.583 20 5 FFBDLO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CCS[C@@H]4COCC[C@H]43)c2c(Cl)c1 ZINC000774640405 738008787 /nfs/dbraw/zinc/00/87/87/738008787.db2.gz RYIRGKJEYJDXJH-ZIAGYGMSSA-N 1 2 368.846 2.762 20 5 FFBDLO O=[N+]([O-])c1cc2cnn(C[N@H+]3CCS[C@@H]4COCC[C@H]43)c2c(Cl)c1 ZINC000774640405 738008791 /nfs/dbraw/zinc/00/87/91/738008791.db2.gz RYIRGKJEYJDXJH-ZIAGYGMSSA-N 1 2 368.846 2.762 20 5 FFBDLO CCOCCO[C@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774640519 738008882 /nfs/dbraw/zinc/00/88/82/738008882.db2.gz UWROIOBDHUBSDT-AWEZNQCLSA-N 1 2 368.821 2.683 20 5 FFBDLO CCOCCO[C@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774640519 738008885 /nfs/dbraw/zinc/00/88/85/738008885.db2.gz UWROIOBDHUBSDT-AWEZNQCLSA-N 1 2 368.821 2.683 20 5 FFBDLO C[N@@H+](CC(=O)Nc1ccccc1Cl)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776578209 738211067 /nfs/dbraw/zinc/21/10/67/738211067.db2.gz CWWGJSDGOXHDMZ-MRXNPFEDSA-N 1 2 363.801 2.852 20 5 FFBDLO C[N@H+](CC(=O)Nc1ccccc1Cl)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776578209 738211072 /nfs/dbraw/zinc/21/10/72/738211072.db2.gz CWWGJSDGOXHDMZ-MRXNPFEDSA-N 1 2 363.801 2.852 20 5 FFBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCc1c[nH+]cn1C ZINC000793163003 739746604 /nfs/dbraw/zinc/74/66/04/739746604.db2.gz QGGYEHQZTQIHFO-UHFFFAOYSA-N 1 2 354.160 2.756 20 5 FFBDLO Cn1c[nH+]cc1CCOC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000793251878 739757875 /nfs/dbraw/zinc/75/78/75/739757875.db2.gz BKAXVLSGYZUAIS-UHFFFAOYSA-N 1 2 358.379 2.851 20 5 FFBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000935062096 739888280 /nfs/dbraw/zinc/88/82/80/739888280.db2.gz YIEWOSBYGORZSN-LBPRGKRZSA-N 1 2 358.423 2.720 20 5 FFBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc(Br)ccc1[N+](=O)[O-] ZINC000804809127 740906349 /nfs/dbraw/zinc/90/63/49/740906349.db2.gz PALNAEMATFINLZ-DGCLKSJQSA-N 1 2 370.247 2.657 20 5 FFBDLO O=C(NC1CC1)OC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000810036482 741374482 /nfs/dbraw/zinc/37/44/82/741374482.db2.gz HMRBONYFFFJWRI-OAHLLOKOSA-N 1 2 351.378 2.977 20 5 FFBDLO O=C(NC1CC1)OC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000810036482 741374487 /nfs/dbraw/zinc/37/44/87/741374487.db2.gz HMRBONYFFFJWRI-OAHLLOKOSA-N 1 2 351.378 2.977 20 5 FFBDLO CN1C(=O)NCC12CC[NH+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])CC2 ZINC000822530008 742748915 /nfs/dbraw/zinc/74/89/15/742748915.db2.gz NGSLZDAVKUMHIE-UHFFFAOYSA-N 1 2 373.240 2.891 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCCCNc2cccc[nH+]2)c1F ZINC000828151082 745037510 /nfs/dbraw/zinc/03/75/10/745037510.db2.gz YNQOXWHVMQKESI-UHFFFAOYSA-N 1 2 350.325 2.808 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](CCOC(F)F)CC2)c(C(F)(F)F)c1 ZINC000851747255 749660785 /nfs/dbraw/zinc/66/07/85/749660785.db2.gz CEFMQUCJMIVASS-UHFFFAOYSA-N 1 2 369.290 2.975 20 5 FFBDLO Cc1noc(C[N@H+](C)C[C@H](O)c2ccccc2Br)c1[N+](=O)[O-] ZINC000852150398 749786726 /nfs/dbraw/zinc/78/67/26/749786726.db2.gz WMSXLCNBDBEFQX-LBPRGKRZSA-N 1 2 370.203 2.819 20 5 FFBDLO Cc1noc(C[N@@H+](C)C[C@H](O)c2ccccc2Br)c1[N+](=O)[O-] ZINC000852150398 749786728 /nfs/dbraw/zinc/78/67/28/749786728.db2.gz WMSXLCNBDBEFQX-LBPRGKRZSA-N 1 2 370.203 2.819 20 5 FFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000852503121 749877747 /nfs/dbraw/zinc/87/77/47/749877747.db2.gz QNFKWRCZYQUSOU-GTNSWQLSSA-N 1 2 367.833 2.812 20 5 FFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000852503121 749877754 /nfs/dbraw/zinc/87/77/54/749877754.db2.gz QNFKWRCZYQUSOU-GTNSWQLSSA-N 1 2 367.833 2.812 20 5 FFBDLO O=[N+]([O-])c1cccc(C[NH+]2CCC3(CC2)OCCO3)c1Br ZINC000232469864 845753831 /nfs/dbraw/zinc/75/38/31/845753831.db2.gz HJFWQEFEFCZLNK-UHFFFAOYSA-N 1 2 357.204 2.696 20 5 FFBDLO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001125420083 962285404 /nfs/dbraw/zinc/28/54/04/962285404.db2.gz CEPVDBOFLVXGMO-UHFFFAOYSA-N 1 2 372.331 2.918 20 5 FFBDLO Cc1ccc(CNC(=O)c2ccccc2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000825646902 1013352262 /nfs/dbraw/zinc/35/22/62/1013352262.db2.gz AFSCHNUVFJLMPB-UHFFFAOYSA-N 1 2 369.421 2.665 20 5 FFBDLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H]([C@@H]2CCCO2)C1 ZINC000933189381 963692038 /nfs/dbraw/zinc/69/20/38/963692038.db2.gz ZHMPFYGDBQSVCH-DQYPLSBCSA-N 1 2 366.389 2.667 20 5 FFBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H]([C@@H]2CCCO2)C1 ZINC000933189381 963692043 /nfs/dbraw/zinc/69/20/43/963692043.db2.gz ZHMPFYGDBQSVCH-DQYPLSBCSA-N 1 2 366.389 2.667 20 5 FFBDLO CCC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC001176145984 1013628640 /nfs/dbraw/zinc/62/86/40/1013628640.db2.gz PKJYTOSPZDBMCA-UHFFFAOYSA-N 1 2 370.247 2.848 20 5 FFBDLO O=c1[nH]c2cccnc2n1C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001176154728 1013647656 /nfs/dbraw/zinc/64/76/56/1013647656.db2.gz SJFLGNFKJKKYSU-UHFFFAOYSA-N 1 2 353.382 2.882 20 5 FFBDLO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](c2ncccn2)C2CC2)cccc1[N+](=O)[O-] ZINC001176346924 1013679790 /nfs/dbraw/zinc/67/97/90/1013679790.db2.gz UKXHRHTZVOZKDU-BLLLJJGKSA-N 1 2 355.398 2.761 20 5 FFBDLO C[C@H](CNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1ccccc1[N+](=O)[O-] ZINC000897061571 973204203 /nfs/dbraw/zinc/20/42/03/973204203.db2.gz KQHNLZKIBDIEKS-KGLIPLIRSA-N 1 2 357.414 2.631 20 5 FFBDLO Cc1noc2ncc(C[NH+]3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc12 ZINC000893878419 977579243 /nfs/dbraw/zinc/57/92/43/977579243.db2.gz VLBZCSPFYGNCBE-UHFFFAOYSA-N 1 2 353.382 2.762 20 5 FFBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000905733876 980501720 /nfs/dbraw/zinc/50/17/20/980501720.db2.gz JXCZVYJSQSIQRF-GFCCVEGCSA-N 1 2 374.422 2.871 20 5 FFBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000905733876 980501724 /nfs/dbraw/zinc/50/17/24/980501724.db2.gz JXCZVYJSQSIQRF-GFCCVEGCSA-N 1 2 374.422 2.871 20 5 FFBDLO CC(=O)CCn1cc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000906304480 980623557 /nfs/dbraw/zinc/62/35/57/980623557.db2.gz HRCRKCGBGODBRU-MRXNPFEDSA-N 1 2 357.414 2.545 20 5 FFBDLO CC(=O)CCn1cc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000906304480 980623558 /nfs/dbraw/zinc/62/35/58/980623558.db2.gz HRCRKCGBGODBRU-MRXNPFEDSA-N 1 2 357.414 2.545 20 5 FFBDLO COc1cccc(C(=O)N2CC3(CC[N@@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000910781936 982047316 /nfs/dbraw/zinc/04/73/16/982047316.db2.gz WYQIFJJJTNMQDG-UHFFFAOYSA-N 1 2 367.405 2.704 20 5 FFBDLO COc1cccc(C(=O)N2CC3(CC[N@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000910781936 982047327 /nfs/dbraw/zinc/04/73/27/982047327.db2.gz WYQIFJJJTNMQDG-UHFFFAOYSA-N 1 2 367.405 2.704 20 5 FFBDLO CO[C@H]1C[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)Cc3cccnc3N2C1 ZINC000879271214 1015451684 /nfs/dbraw/zinc/45/16/84/1015451684.db2.gz WOBFWLWRPINSNZ-HOTGVXAUSA-N 1 2 372.400 2.738 20 5 FFBDLO CO[C@H]1C[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)Cc3cccnc3N2C1 ZINC000879271214 1015451691 /nfs/dbraw/zinc/45/16/91/1015451691.db2.gz WOBFWLWRPINSNZ-HOTGVXAUSA-N 1 2 372.400 2.738 20 5 FFBDLO C[C@H](NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000455109883 989208576 /nfs/dbraw/zinc/20/85/76/989208576.db2.gz PMBXTLJSBQQZQV-ZFWWWQNUSA-N 1 2 357.414 2.979 20 5 FFBDLO CC(C)CO[C@H]1CC[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000154785851 990459975 /nfs/dbraw/zinc/45/99/75/990459975.db2.gz PKTBQQVXOMGZKP-HNNXBMFYSA-N 1 2 362.430 2.541 20 5 FFBDLO CC(C)CO[C@H]1CC[N@@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000154785851 990459980 /nfs/dbraw/zinc/45/99/80/990459980.db2.gz PKTBQQVXOMGZKP-HNNXBMFYSA-N 1 2 362.430 2.541 20 5 FFBDLO Cc1cccc(CCCOCCOC(=O)c2ccc(N)c([N+](=O)[O-])c2)[nH+]1 ZINC000069188834 991606073 /nfs/dbraw/zinc/60/60/73/991606073.db2.gz LHVQYTNLYCYJTM-UHFFFAOYSA-N 1 2 359.382 2.687 20 5 FFBDLO O=C(Nc1ccc2[nH+]ccn2c1)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001131309217 994123474 /nfs/dbraw/zinc/12/34/74/994123474.db2.gz HEHPMQXCQLJHNJ-UHFFFAOYSA-N 1 2 362.349 2.740 20 5 FFBDLO O=C1N(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000844750802 998117079 /nfs/dbraw/zinc/11/70/79/998117079.db2.gz NZYJOYVSNPBWHT-MRXNPFEDSA-N 1 2 366.368 2.916 20 5 FFBDLO O=C1N(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000844750802 998117084 /nfs/dbraw/zinc/11/70/84/998117084.db2.gz NZYJOYVSNPBWHT-MRXNPFEDSA-N 1 2 366.368 2.916 20 5 FFBDLO O=C(Cc1cn2c([nH+]1)CCCC2)O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000845488017 998560683 /nfs/dbraw/zinc/56/06/83/998560683.db2.gz RKFVDDUONLZZBY-HUUCEWRRSA-N 1 2 373.413 2.594 20 5 FFBDLO COc1ccc([C@@H]2[C@@H](COC(=O)c3ccc([N+](=O)[O-])[nH]3)CC[N@@H+]2C)cc1 ZINC000741120951 999709708 /nfs/dbraw/zinc/70/97/08/999709708.db2.gz OVTOXGIJQNEWIH-CXAGYDPISA-N 1 2 359.382 2.781 20 5 FFBDLO COc1ccc([C@@H]2[C@@H](COC(=O)c3ccc([N+](=O)[O-])[nH]3)CC[N@H+]2C)cc1 ZINC000741120951 999709710 /nfs/dbraw/zinc/70/97/10/999709710.db2.gz OVTOXGIJQNEWIH-CXAGYDPISA-N 1 2 359.382 2.781 20 5 FFBDLO COC(=O)[C@H](Cc1ccc2ccccc2c1)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169000873 1000014473 /nfs/dbraw/zinc/01/44/73/1000014473.db2.gz ZALQOLYGLVEACQ-LZQZEXGQSA-N 1 2 356.422 2.959 20 5 FFBDLO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000804324509 1000047994 /nfs/dbraw/zinc/04/79/94/1000047994.db2.gz HOIUBZMXAGNOAY-HNNXBMFYSA-N 1 2 372.381 2.816 20 5 FFBDLO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000804324509 1000047996 /nfs/dbraw/zinc/04/79/96/1000047996.db2.gz HOIUBZMXAGNOAY-HNNXBMFYSA-N 1 2 372.381 2.816 20 5 FFBDLO CCCC[C@H](OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(=O)OC ZINC000785680343 1001467084 /nfs/dbraw/zinc/46/70/84/1001467084.db2.gz ZOWNSLNQLNQVAC-HNNXBMFYSA-N 1 2 361.354 2.669 20 5 FFBDLO O=C(Nc1ccn2cc[nH+]c2c1)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001129480380 1003664897 /nfs/dbraw/zinc/66/48/97/1003664897.db2.gz IJNZZDZVPUGTOZ-UHFFFAOYSA-N 1 2 354.322 2.656 20 5 FFBDLO Cc1noc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000851803633 1005914887 /nfs/dbraw/zinc/91/48/87/1005914887.db2.gz UFRYULXWKASXLI-OLZOCXBDSA-N 1 2 366.418 2.865 20 5 FFBDLO Cc1noc(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000851803633 1005914890 /nfs/dbraw/zinc/91/48/90/1005914890.db2.gz UFRYULXWKASXLI-OLZOCXBDSA-N 1 2 366.418 2.865 20 5 FFBDLO Cc1noc(C[N@@H+]2CC[C@@]3(CCCN3C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000852177524 1005948235 /nfs/dbraw/zinc/94/82/35/1005948235.db2.gz POKJFWQYHJBIJP-KRWDZBQOSA-N 1 2 366.418 2.867 20 5 FFBDLO Cc1noc(C[N@H+]2CC[C@@]3(CCCN3C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000852177524 1005948238 /nfs/dbraw/zinc/94/82/38/1005948238.db2.gz POKJFWQYHJBIJP-KRWDZBQOSA-N 1 2 366.418 2.867 20 5 FFBDLO O=C(Nc1cnn(C2CCC2)c1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001134368368 1006298017 /nfs/dbraw/zinc/29/80/17/1006298017.db2.gz SXVZXMQVUVUZDG-UHFFFAOYSA-N 1 2 352.354 2.954 20 5 FFBDLO CC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000882444568 1006401037 /nfs/dbraw/zinc/40/10/37/1006401037.db2.gz QRNDHEATWBWDAS-GJZGRUSLSA-N 1 2 358.398 2.716 20 5 FFBDLO CCC(CC)NC(=O)[C@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000855085400 1007104091 /nfs/dbraw/zinc/10/40/91/1007104091.db2.gz IVQSIBWDHVIVDY-LBPRGKRZSA-N 1 2 374.397 2.631 20 5 FFBDLO Cc1ccc(O[C@H]2CC[N@H+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])C2)nc1 ZINC000858038727 1008286454 /nfs/dbraw/zinc/28/64/54/1008286454.db2.gz WVVJGENTUBQJQV-HNNXBMFYSA-N 1 2 370.409 2.698 20 5 FFBDLO Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])C2)nc1 ZINC000858038727 1008286458 /nfs/dbraw/zinc/28/64/58/1008286458.db2.gz WVVJGENTUBQJQV-HNNXBMFYSA-N 1 2 370.409 2.698 20 5 FFBDLO COc1ccc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c(F)c1OC ZINC000886174920 1008598685 /nfs/dbraw/zinc/59/86/85/1008598685.db2.gz MHFWMIRQUSUNSS-SFHVURJKSA-N 1 2 364.373 2.748 20 5 FFBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@@H]2CCC3(CCC3)CO2)CC1 ZINC000886217721 1008602130 /nfs/dbraw/zinc/60/21/30/1008602130.db2.gz GMRQCNATPPOSMG-INIZCTEOSA-N 1 2 373.453 2.702 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c1C ZINC000889540107 1010007924 /nfs/dbraw/zinc/00/79/24/1010007924.db2.gz RGWFPAFZLPOEGC-HZPDHXFCSA-N 1 2 361.442 2.585 20 5 FFBDLO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])cc2)CC1 ZINC000794619222 1010443397 /nfs/dbraw/zinc/44/33/97/1010443397.db2.gz SUWZESLEZFCOOQ-UHFFFAOYSA-N 1 2 370.409 2.695 20 5 FFBDLO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000796172610 1011250588 /nfs/dbraw/zinc/25/05/88/1011250588.db2.gz JXOIFFYMXXJXLU-CYBMUJFWSA-N 1 2 369.393 2.843 20 5 FFBDLO CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000796172610 1011250602 /nfs/dbraw/zinc/25/06/02/1011250602.db2.gz JXOIFFYMXXJXLU-CYBMUJFWSA-N 1 2 369.393 2.843 20 5 FFBDLO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000869107835 1011616390 /nfs/dbraw/zinc/61/63/90/1011616390.db2.gz JJNRUPMSLAXQLQ-LJQANCHMSA-N 1 2 368.437 2.965 20 5 FFBDLO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000869107835 1011616406 /nfs/dbraw/zinc/61/64/06/1011616406.db2.gz JJNRUPMSLAXQLQ-LJQANCHMSA-N 1 2 368.437 2.965 20 5 FFBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000869108174 1011617942 /nfs/dbraw/zinc/61/79/42/1011617942.db2.gz MEAXMGNGZHNDJO-IBGZPJMESA-N 1 2 368.437 2.965 20 5 FFBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000869108174 1011617951 /nfs/dbraw/zinc/61/79/51/1011617951.db2.gz MEAXMGNGZHNDJO-IBGZPJMESA-N 1 2 368.437 2.965 20 5 FFBDLO COc1cccc([C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC[NH2+]2)c1 ZINC000870148150 1012204898 /nfs/dbraw/zinc/20/48/98/1012204898.db2.gz XWSDXPVPJOBHNV-QGZVFWFLSA-N 1 2 355.394 2.699 20 5 FFBDLO O=C(N[C@@H](C1CCC1)[C@@H]1CCOC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000871290148 1012829303 /nfs/dbraw/zinc/82/93/03/1012829303.db2.gz MFGPLSBMSIUHGV-QAPCUYQASA-N 1 2 370.409 2.716 20 5 FFBDLO O=[N+]([O-])c1ccc(F)c(Br)c1O[C@H]1CC[NH2+]CC1(F)F ZINC001218010613 1032949513 /nfs/dbraw/zinc/94/95/13/1032949513.db2.gz QCHOYEJVLDGCGY-QMMMGPOBSA-N 1 2 355.110 2.872 20 5 FFBDLO Cc1c(Br)c(N2CC[NH+](C(C)(C)C)CC2)ncc1[N+](=O)[O-] ZINC001116557872 1021283584 /nfs/dbraw/zinc/28/35/84/1021283584.db2.gz WDOQQYLAQTVDQE-UHFFFAOYSA-N 1 2 357.252 2.981 20 5 FFBDLO O=C([C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000935713670 1021836509 /nfs/dbraw/zinc/83/65/09/1021836509.db2.gz NBIHUPXSHYWAFJ-SQNIBIBYSA-N 1 2 353.378 2.773 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000750411061 1021933677 /nfs/dbraw/zinc/93/36/77/1021933677.db2.gz HHLYKHNNRCDXHF-UHFFFAOYSA-N 1 2 359.386 2.695 20 5 FFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c(Br)c1 ZINC001118103125 1022071167 /nfs/dbraw/zinc/07/11/67/1022071167.db2.gz PUDGIMJTQHZNQK-CYBMUJFWSA-N 1 2 366.219 2.786 20 5 FFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](n3ccnn3)C2)c(Br)c1 ZINC001118103125 1022071186 /nfs/dbraw/zinc/07/11/86/1022071186.db2.gz PUDGIMJTQHZNQK-CYBMUJFWSA-N 1 2 366.219 2.786 20 5 FFBDLO O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000116112814 1022378376 /nfs/dbraw/zinc/37/83/76/1022378376.db2.gz AWWBSTJHRZQXNS-UHFFFAOYSA-N 1 2 356.313 2.937 20 5 FFBDLO CC(C)C[C@@H]1NC(=O)N(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000840122447 1026968787 /nfs/dbraw/zinc/96/87/87/1026968787.db2.gz DCILJOAASBTKDZ-RDJZCZTQSA-N 1 2 374.441 2.698 20 5 FFBDLO CC(C)C[C@@H]1NC(=O)N(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000840122447 1026968796 /nfs/dbraw/zinc/96/87/96/1026968796.db2.gz DCILJOAASBTKDZ-RDJZCZTQSA-N 1 2 374.441 2.698 20 5 FFBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cn(Cc2ccccc2)nn1 ZINC000796113159 1028476274 /nfs/dbraw/zinc/47/62/74/1028476274.db2.gz MHHWSLXDZXRFBW-UHFFFAOYSA-N 1 2 351.410 2.909 20 5 FFBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cn(Cc2ccccc2)nn1 ZINC000796113159 1028476286 /nfs/dbraw/zinc/47/62/86/1028476286.db2.gz MHHWSLXDZXRFBW-UHFFFAOYSA-N 1 2 351.410 2.909 20 5 FFBDLO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)nc1-c1ccncc1 ZINC000842617595 1030831845 /nfs/dbraw/zinc/83/18/45/1030831845.db2.gz NRFJHGOYDSBFJP-KRWDZBQOSA-N 1 2 365.393 2.964 20 5 FFBDLO O=[N+]([O-])c1cn(C[N@H+]2CC[C@H](Oc3ccccc3)C2)nc1-c1ccncc1 ZINC000842617595 1030831865 /nfs/dbraw/zinc/83/18/65/1030831865.db2.gz NRFJHGOYDSBFJP-KRWDZBQOSA-N 1 2 365.393 2.964 20 5 FFBDLO COc1cc(C(=O)OCC2CN(c3cccc[nH+]3)C2)cc([N+](=O)[O-])c1C ZINC000842885973 1031021408 /nfs/dbraw/zinc/02/14/08/1031021408.db2.gz FNRDBEZCIURZAL-UHFFFAOYSA-N 1 2 357.366 2.600 20 5 FFBDLO Cc1nn(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000797418304 1031106331 /nfs/dbraw/zinc/10/63/31/1031106331.db2.gz ROJRGAZPRYURHM-BIENJYKASA-N 1 2 374.441 2.869 20 5 FFBDLO Cc1nn(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000797418304 1031106339 /nfs/dbraw/zinc/10/63/39/1031106339.db2.gz ROJRGAZPRYURHM-BIENJYKASA-N 1 2 374.441 2.869 20 5 FFBDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C ZINC001205665214 1031919394 /nfs/dbraw/zinc/91/93/94/1031919394.db2.gz WCSPRXVQLJSQDP-LBPRGKRZSA-N 1 2 370.837 2.789 20 5 FFBDLO O=[N+]([O-])c1c(O)cccc1OC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001225620140 1034337449 /nfs/dbraw/zinc/33/74/49/1034337449.db2.gz NIVCOCAYRDMZOC-MRXNPFEDSA-N 1 2 358.394 2.970 20 5 FFBDLO O=[N+]([O-])c1c(O)cccc1OC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001225620140 1034337463 /nfs/dbraw/zinc/33/74/63/1034337463.db2.gz NIVCOCAYRDMZOC-MRXNPFEDSA-N 1 2 358.394 2.970 20 5 FFBDLO COc1cc(O[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ncc1[N+](=O)[O-] ZINC001226581334 1034745738 /nfs/dbraw/zinc/74/57/38/1034745738.db2.gz OHMRVTOHBHMNEA-KSSFIOAISA-N 1 2 373.409 2.667 20 5 FFBDLO COc1cc(O[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ncc1[N+](=O)[O-] ZINC001226581334 1034745749 /nfs/dbraw/zinc/74/57/49/1034745749.db2.gz OHMRVTOHBHMNEA-KSSFIOAISA-N 1 2 373.409 2.667 20 5 FFBDLO C[C@@H](Oc1ncc(F)cc1[N+](=O)[O-])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001226751854 1034820352 /nfs/dbraw/zinc/82/03/52/1034820352.db2.gz UVCDYOAQVJPTPT-CXAGYDPISA-N 1 2 361.373 2.797 20 5 FFBDLO C[C@@H](Oc1ncc(F)cc1[N+](=O)[O-])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001226751854 1034820361 /nfs/dbraw/zinc/82/03/61/1034820361.db2.gz UVCDYOAQVJPTPT-CXAGYDPISA-N 1 2 361.373 2.797 20 5 FFBDLO C[C@H](OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1nc(C2CC2)no1 ZINC000835302061 1035675356 /nfs/dbraw/zinc/67/53/56/1035675356.db2.gz BEDUSTIRKUJVPH-JTQLQIEISA-N 1 2 369.337 2.959 20 5 FFBDLO CC[N@@H+]1CCC[C@@H](Oc2[nH]c(=O)nc3nc4cc(C)c(C)cc4nc32)C1 ZINC001228685434 1036254291 /nfs/dbraw/zinc/25/42/91/1036254291.db2.gz HAISFXLEAZCTOL-CYBMUJFWSA-N 1 2 353.426 2.759 20 5 FFBDLO CC[N@H+]1CCC[C@@H](Oc2[nH]c(=O)nc3nc4cc(C)c(C)cc4nc32)C1 ZINC001228685434 1036254316 /nfs/dbraw/zinc/25/43/16/1036254316.db2.gz HAISFXLEAZCTOL-CYBMUJFWSA-N 1 2 353.426 2.759 20 5 FFBDLO O=[N+]([O-])c1ccc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)nc1Cl ZINC001228933514 1036415196 /nfs/dbraw/zinc/41/51/96/1036415196.db2.gz GRVUJGGBMWOZDQ-AWEZNQCLSA-N 1 2 363.801 2.923 20 5 FFBDLO O=[N+]([O-])c1ccc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nc1Cl ZINC001228933514 1036415204 /nfs/dbraw/zinc/41/52/04/1036415204.db2.gz GRVUJGGBMWOZDQ-AWEZNQCLSA-N 1 2 363.801 2.923 20 5 FFBDLO C[C@H](Oc1cc([N+](=O)[O-])ccc1O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001229396695 1036649710 /nfs/dbraw/zinc/64/97/10/1036649710.db2.gz WPKKCSCERXZHIX-LIRRHRJNSA-N 1 2 358.394 2.969 20 5 FFBDLO C[C@H](Oc1cc([N+](=O)[O-])ccc1O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001229396695 1036649719 /nfs/dbraw/zinc/64/97/19/1036649719.db2.gz WPKKCSCERXZHIX-LIRRHRJNSA-N 1 2 358.394 2.969 20 5 FFBDLO O=[N+]([O-])c1cc(F)c(-n2cc[nH+]c2)cc1-c1nnc(C2CCOCC2)o1 ZINC001255745024 1038152325 /nfs/dbraw/zinc/15/23/25/1038152325.db2.gz MSFKKEZHRVMALX-UHFFFAOYSA-N 1 2 359.317 2.864 20 5 FFBDLO O=C(NCc1nc2c(s1)CCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001537679798 1070234432 /nfs/dbraw/zinc/23/44/32/1070234432.db2.gz WMPXDFGJEIMTCF-UHFFFAOYSA-N 1 2 369.406 2.656 20 5 FFBDLO CCOCc1cnc2n1CC[N@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)[C@H]2C ZINC001254595655 1040824905 /nfs/dbraw/zinc/82/49/05/1040824905.db2.gz KLFKMXXMUXATJB-GUYCJALGSA-N 1 2 356.426 2.872 20 5 FFBDLO CCOCc1cnc2n1CC[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)[C@H]2C ZINC001254595655 1040824918 /nfs/dbraw/zinc/82/49/18/1040824918.db2.gz KLFKMXXMUXATJB-GUYCJALGSA-N 1 2 356.426 2.872 20 5 FFBDLO C[NH+]1CCN(c2ccc3[nH]c(-c4cc(O)ccc4[N+](=O)[O-])nc3c2)CC1 ZINC001250852601 1041402465 /nfs/dbraw/zinc/40/24/65/1041402465.db2.gz CSBUALFGTDTNCV-UHFFFAOYSA-N 1 2 353.382 2.596 20 5 FFBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001288268232 1047437867 /nfs/dbraw/zinc/43/78/67/1047437867.db2.gz XMRHAQALKCYGKS-SFHVURJKSA-N 1 2 350.378 2.892 20 5 FFBDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001334138349 1049269859 /nfs/dbraw/zinc/26/98/59/1049269859.db2.gz CPLGAQXWKNYTDC-CABCVRRESA-N 1 2 365.430 2.530 20 5 FFBDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001334138349 1049269874 /nfs/dbraw/zinc/26/98/74/1049269874.db2.gz CPLGAQXWKNYTDC-CABCVRRESA-N 1 2 365.430 2.530 20 5 FFBDLO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC[NH+]1CCC(CO)CC1 ZINC001330699104 1049281007 /nfs/dbraw/zinc/28/10/07/1049281007.db2.gz ZKVNSISCANXWLU-CYBMUJFWSA-N 1 2 353.488 2.672 20 5 FFBDLO COC(=O)C[C@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)c1cccnc1 ZINC001308179644 1052428103 /nfs/dbraw/zinc/42/81/03/1052428103.db2.gz ITFVQBIMTZHFBO-SFHVURJKSA-N 1 2 359.382 2.567 20 5 FFBDLO COC(=O)c1csc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC001308656066 1052482676 /nfs/dbraw/zinc/48/26/76/1052482676.db2.gz KFDISYPTYNSWCL-UHFFFAOYSA-N 1 2 361.423 2.765 20 5 FFBDLO COc1ccc(NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c([N+](=O)[O-])c1 ZINC001347496499 1054044881 /nfs/dbraw/zinc/04/48/81/1054044881.db2.gz REHYJQBIMMJEGJ-CYBMUJFWSA-N 1 2 373.413 2.824 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)n1 ZINC001518208731 1058300712 /nfs/dbraw/zinc/30/07/12/1058300712.db2.gz PMUPTBYIUZOZGG-UHFFFAOYSA-N 1 2 355.329 2.553 20 5 FFBDLO CN(C)c1ccc(COC(=O)C[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC001516768096 1060228645 /nfs/dbraw/zinc/22/86/45/1060228645.db2.gz PRSHPVWGFORNMQ-UHFFFAOYSA-N 1 2 357.410 2.836 20 5 FFBDLO CN(C)c1ccc(COC(=O)C[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC001516768096 1060228663 /nfs/dbraw/zinc/22/86/63/1060228663.db2.gz PRSHPVWGFORNMQ-UHFFFAOYSA-N 1 2 357.410 2.836 20 5 FFBDLO COc1ccc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC001517274551 1060432536 /nfs/dbraw/zinc/43/25/36/1060432536.db2.gz GKHCYWMIHHFJMX-MLGOLLRUSA-N 1 2 359.386 2.915 20 5 FFBDLO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@H]1Cc2c[nH+]cn2C1 ZINC001476324758 1061391857 /nfs/dbraw/zinc/39/18/57/1061391857.db2.gz JELVVABIFNJHKX-VIFPVBQESA-N 1 2 355.276 2.557 20 5 FFBDLO O=C(Nc1ccc2c(c1)CCO2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001434933829 1062356585 /nfs/dbraw/zinc/35/65/85/1062356585.db2.gz GVDMQLPJEANPGM-UHFFFAOYSA-N 1 2 350.334 2.968 20 5 FFBDLO O=C(NCc1ccc2c(c1)COC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001435494546 1062497893 /nfs/dbraw/zinc/49/78/93/1062497893.db2.gz JWKSFNICKJLSBS-UHFFFAOYSA-N 1 2 364.361 2.741 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](NC(=O)c2ccccc2)C1 ZINC001473183831 1065215534 /nfs/dbraw/zinc/21/55/34/1065215534.db2.gz FKBKMKRPDXDWFF-KRWDZBQOSA-N 1 2 369.421 2.998 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](NC(=O)c2ccccc2)C1 ZINC001473183831 1065215543 /nfs/dbraw/zinc/21/55/43/1065215543.db2.gz FKBKMKRPDXDWFF-KRWDZBQOSA-N 1 2 369.421 2.998 20 5 FFBDLO CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001473969803 1065429634 /nfs/dbraw/zinc/42/96/34/1065429634.db2.gz VYCWDGOPRMGQSF-UWVGGRQHSA-N 1 2 358.236 2.750 20 5 FFBDLO COCC(C)(C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC001559217416 1076136180 /nfs/dbraw/zinc/13/61/80/1076136180.db2.gz JUHOKCDMBBJEGJ-UHFFFAOYSA-N 1 2 372.263 2.904 20 5 FFBDLO Cn1ncc([N+](=O)[O-])c1NCCc1cn(Cc2ccc(Cl)cc2)c[nH+]1 ZINC001559303774 1076148290 /nfs/dbraw/zinc/14/82/90/1076148290.db2.gz GLDMOVFCSRZKNH-UHFFFAOYSA-N 1 2 360.805 2.881 20 5 FFBDLO Cc1ccc(CNC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1[N+](=O)[O-] ZINC001565213226 1076697902 /nfs/dbraw/zinc/69/79/02/1076697902.db2.gz OAYYDUSFSCBLAO-UHFFFAOYSA-N 1 2 374.466 2.992 20 5 FFBDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272530851 252062141 /nfs/dbraw/zinc/06/21/41/252062141.db2.gz IKTVNBJLPRQUPD-UHFFFAOYSA-N 1 2 356.382 2.616 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000272566896 252069434 /nfs/dbraw/zinc/06/94/34/252069434.db2.gz VDACORFJHDZNBC-IRXDYDNUSA-N 1 2 372.425 2.693 20 5 FFBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000273129372 252225090 /nfs/dbraw/zinc/22/50/90/252225090.db2.gz PIERDNAKPCBPDA-SNVBAGLBSA-N 1 2 354.819 2.742 20 5 FFBDLO CCOc1cc(C[N@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000276838585 256135373 /nfs/dbraw/zinc/13/53/73/256135373.db2.gz BYWGHBXPBSOSGP-NVXWUHKLSA-N 1 2 370.471 2.781 20 5 FFBDLO CCOc1cc(C[N@@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000276838585 256135375 /nfs/dbraw/zinc/13/53/75/256135375.db2.gz BYWGHBXPBSOSGP-NVXWUHKLSA-N 1 2 370.471 2.781 20 5 FFBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000285936527 257012207 /nfs/dbraw/zinc/01/22/07/257012207.db2.gz LZFVDNGBBGPDGH-KSSFIOAISA-N 1 2 372.425 2.545 20 5 FFBDLO COC(=O)c1cc(C)nc(NCc2cc[nH+]c(N3CCCC3)c2)c1[N+](=O)[O-] ZINC000286008745 257015897 /nfs/dbraw/zinc/01/58/97/257015897.db2.gz DYXOMPJNFMQTGC-UHFFFAOYSA-N 1 2 371.397 2.692 20 5 FFBDLO Cn1cc[nH+]c1[C@H](N[C@H](CCO)c1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000286218468 257026329 /nfs/dbraw/zinc/02/63/29/257026329.db2.gz SGHBKCLJBLJOFV-NVXWUHKLSA-N 1 2 356.382 2.724 20 5 FFBDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000286483829 257039283 /nfs/dbraw/zinc/03/92/83/257039283.db2.gz LLYVYMRGYLPJRQ-CYBMUJFWSA-N 1 2 350.268 2.661 20 5 FFBDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000286483829 257039284 /nfs/dbraw/zinc/03/92/84/257039284.db2.gz LLYVYMRGYLPJRQ-CYBMUJFWSA-N 1 2 350.268 2.661 20 5 FFBDLO Cc1cccc(CCCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])[nH+]1 ZINC000286639737 257047341 /nfs/dbraw/zinc/04/73/41/257047341.db2.gz TUTWLSRHINPGIK-UHFFFAOYSA-N 1 2 355.441 2.808 20 5 FFBDLO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C1CC[NH+](CC(F)F)CC1 ZINC000287719381 257105384 /nfs/dbraw/zinc/10/53/84/257105384.db2.gz LHGOKGDEPLAVTM-UHFFFAOYSA-N 1 2 361.776 2.842 20 5 FFBDLO COCc1nc(CN[C@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000289817558 257301068 /nfs/dbraw/zinc/30/10/68/257301068.db2.gz OUJUUJNFCSJYSQ-INIZCTEOSA-N 1 2 373.438 2.810 20 5 FFBDLO CC(C)OCc1nc([C@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)no1 ZINC000290071328 257314103 /nfs/dbraw/zinc/31/41/03/257314103.db2.gz YHCSOISRNVKWNF-LBPRGKRZSA-N 1 2 350.375 2.632 20 5 FFBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000290900965 257363337 /nfs/dbraw/zinc/36/33/37/257363337.db2.gz HITPMOKKAXAXDT-UHFFFAOYSA-N 1 2 365.187 2.518 20 5 FFBDLO Cc1cc(Nc2nccc(C(N)=O)c2[N+](=O)[O-])c[nH+]c1N1CCCC[C@@H]1C ZINC000291036584 257375771 /nfs/dbraw/zinc/37/57/71/257375771.db2.gz ZMKQEKGQAMFVKI-LBPRGKRZSA-N 1 2 370.413 2.915 20 5 FFBDLO CC1CCN(c2ccc(C(=O)N3CCn4c[nH+]cc4C3)cc2[N+](=O)[O-])CC1 ZINC000291133419 257385628 /nfs/dbraw/zinc/38/56/28/257385628.db2.gz OJEUXMMZMZFLQS-UHFFFAOYSA-N 1 2 369.425 2.684 20 5 FFBDLO C[C@H]1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000295173558 257619469 /nfs/dbraw/zinc/61/94/69/257619469.db2.gz RXTVDQNEGDORDG-WMLDXEAASA-N 1 2 370.409 2.864 20 5 FFBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000301084363 258024196 /nfs/dbraw/zinc/02/41/96/258024196.db2.gz GPWGBBOPZQKSFG-UHFFFAOYSA-N 1 2 369.425 2.952 20 5 FFBDLO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCN(c2cccc[nH+]2)CC1 ZINC000301259780 258037695 /nfs/dbraw/zinc/03/76/95/258037695.db2.gz CNTHZGXUGZGSNF-UHFFFAOYSA-N 1 2 374.372 2.632 20 5 FFBDLO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299611863 258009973 /nfs/dbraw/zinc/00/99/73/258009973.db2.gz ZASFKHSQWCEACW-UHFFFAOYSA-N 1 2 369.425 2.938 20 5 FFBDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000302139330 258090477 /nfs/dbraw/zinc/09/04/77/258090477.db2.gz CZDVFYBAOBIQRM-MRXNPFEDSA-N 1 2 363.368 2.936 20 5 FFBDLO COC(=O)c1cnc(NCc2ccccc2-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000302671149 258107677 /nfs/dbraw/zinc/10/76/77/258107677.db2.gz DSWNNQIWNUVLSW-UHFFFAOYSA-N 1 2 353.338 2.574 20 5 FFBDLO COc1cc(C[NH+]2CCN(c3cc(C)c([N+](=O)[O-])cn3)CC2)cc(OC)c1 ZINC000301465153 258051261 /nfs/dbraw/zinc/05/12/61/258051261.db2.gz HFAOSMIEOSUUEY-UHFFFAOYSA-N 1 2 372.425 2.638 20 5 FFBDLO CNC(=O)c1ccc(NCCc2[nH]c3ccc(F)cc3[nH+]2)c([N+](=O)[O-])c1 ZINC000301577066 258056831 /nfs/dbraw/zinc/05/68/31/258056831.db2.gz ZBCFBDWNACOKAA-UHFFFAOYSA-N 1 2 357.345 2.624 20 5 FFBDLO Cc1ccc(N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000301670491 258062282 /nfs/dbraw/zinc/06/22/82/258062282.db2.gz YQJBQMQWIWCZRB-VQTJNVASSA-N 1 2 353.422 2.993 20 5 FFBDLO Cc1ccc(N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000301670491 258062284 /nfs/dbraw/zinc/06/22/84/258062284.db2.gz YQJBQMQWIWCZRB-VQTJNVASSA-N 1 2 353.422 2.993 20 5 FFBDLO COC(=O)/C=C/c1ccc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000301764789 258066598 /nfs/dbraw/zinc/06/65/98/258066598.db2.gz GBMGOHUQCHRFPZ-PMGBHYCQSA-N 1 2 368.393 2.867 20 5 FFBDLO Cc1c(NC(=O)CC[N@H+]2C[C@@H]3CCCCN3C[C@H]2C)cccc1[N+](=O)[O-] ZINC000332008724 258210102 /nfs/dbraw/zinc/21/01/02/258210102.db2.gz JSUQEZANNSMVID-ZBFHGGJFSA-N 1 2 360.458 2.790 20 5 FFBDLO Cc1c(NC(=O)CC[N@@H+]2C[C@@H]3CCCCN3C[C@H]2C)cccc1[N+](=O)[O-] ZINC000332008724 258210103 /nfs/dbraw/zinc/21/01/03/258210103.db2.gz JSUQEZANNSMVID-ZBFHGGJFSA-N 1 2 360.458 2.790 20 5 FFBDLO C[NH+](C)[C@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccsc1 ZINC000032369005 506246205 /nfs/dbraw/zinc/24/62/05/506246205.db2.gz HQCWHGZQRCAHAW-CQSZACIVSA-N 1 2 359.411 2.565 20 5 FFBDLO CC(C)[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccccn1 ZINC000052832858 506260237 /nfs/dbraw/zinc/26/02/37/506260237.db2.gz HXYXGUXGHZPVTF-UHFFFAOYSA-N 1 2 354.410 2.790 20 5 FFBDLO CC(C)[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccccn1 ZINC000052832858 506260245 /nfs/dbraw/zinc/26/02/45/506260245.db2.gz HXYXGUXGHZPVTF-UHFFFAOYSA-N 1 2 354.410 2.790 20 5 FFBDLO O=C(NCc1ccccc1Cn1cc[nH+]c1)NCc1ccccc1[N+](=O)[O-] ZINC000410139080 512210975 /nfs/dbraw/zinc/21/09/75/512210975.db2.gz JDGDDTWAMOUUDT-UHFFFAOYSA-N 1 2 365.393 2.839 20 5 FFBDLO COc1cc(CNc2ccc(-c3cncnc3)c[nH+]2)c([N+](=O)[O-])cc1O ZINC000366847685 512215977 /nfs/dbraw/zinc/21/59/77/512215977.db2.gz OKUNGUYJRXPTJY-UHFFFAOYSA-N 1 2 353.338 2.773 20 5 FFBDLO O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000054135332 506497077 /nfs/dbraw/zinc/49/70/77/506497077.db2.gz AXRLFPRYFCOAFK-UHFFFAOYSA-N 1 2 366.381 2.630 20 5 FFBDLO O=C(NCCn1cc[nH+]c1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000041816450 506554557 /nfs/dbraw/zinc/55/45/57/506554557.db2.gz JBPCXSAZDCAWNN-UHFFFAOYSA-N 1 2 351.366 2.965 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000369212485 512285254 /nfs/dbraw/zinc/28/52/54/512285254.db2.gz BYPJMCQOXPDUNB-NSHDSACASA-N 1 2 367.203 2.704 20 5 FFBDLO O=C(Cc1ccccc1F)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000066867518 506674077 /nfs/dbraw/zinc/67/40/77/506674077.db2.gz CZICAJIVKWUCKQ-UHFFFAOYSA-N 1 2 371.412 2.663 20 5 FFBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)NCC[NH+]1Cc2ccccc2C1 ZINC000067744289 506995671 /nfs/dbraw/zinc/99/56/71/506995671.db2.gz KRMOPLNTMMQXSO-UHFFFAOYSA-N 1 2 357.435 2.819 20 5 FFBDLO Cc1ccc2[nH]c3c(c2c1)C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC3 ZINC000371297493 512313884 /nfs/dbraw/zinc/31/38/84/512313884.db2.gz KZXOQTCRAJUPKA-UHFFFAOYSA-N 1 2 352.394 2.605 20 5 FFBDLO Cc1ccc2[nH]c3c(c2c1)C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC3 ZINC000371297493 512313886 /nfs/dbraw/zinc/31/38/86/512313886.db2.gz KZXOQTCRAJUPKA-UHFFFAOYSA-N 1 2 352.394 2.605 20 5 FFBDLO C[C@H]1CN(c2ccc(CNC(=O)Nc3cccc([N+](=O)[O-])c3)c[nH+]2)CCO1 ZINC000045950964 507050932 /nfs/dbraw/zinc/05/09/32/507050932.db2.gz GJZOOTJQDBFPHC-ZDUSSCGKSA-N 1 2 371.397 2.537 20 5 FFBDLO COCC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccccc1 ZINC000016585147 507096810 /nfs/dbraw/zinc/09/68/10/507096810.db2.gz QEPWWUDQMSSZMW-UHFFFAOYSA-N 1 2 357.410 2.990 20 5 FFBDLO COCC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccccc1 ZINC000016585147 507096818 /nfs/dbraw/zinc/09/68/18/507096818.db2.gz QEPWWUDQMSSZMW-UHFFFAOYSA-N 1 2 357.410 2.990 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000016591604 507097845 /nfs/dbraw/zinc/09/78/45/507097845.db2.gz ZCTMYBFEEQVKRH-JTQLQIEISA-N 1 2 361.320 2.816 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000016591604 507097851 /nfs/dbraw/zinc/09/78/51/507097851.db2.gz ZCTMYBFEEQVKRH-JTQLQIEISA-N 1 2 361.320 2.816 20 5 FFBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000046386801 507128430 /nfs/dbraw/zinc/12/84/30/507128430.db2.gz YIKNTBJMVNKMML-GFCCVEGCSA-N 1 2 360.439 2.853 20 5 FFBDLO O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000068390979 507213994 /nfs/dbraw/zinc/21/39/94/507213994.db2.gz LAORNRQEVIKXPM-UHFFFAOYSA-N 1 2 367.405 2.630 20 5 FFBDLO COc1ccc(Cn2c3ccccc3[nH+]c2NC[C@@H](C)O)cc1[N+](=O)[O-] ZINC000047369987 507318159 /nfs/dbraw/zinc/31/81/59/507318159.db2.gz GNWFXSPWZZSMKV-GFCCVEGCSA-N 1 2 356.382 2.794 20 5 FFBDLO CCN(CC)C(=O)CN(C)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000057825402 507335805 /nfs/dbraw/zinc/33/58/05/507335805.db2.gz RULFNRKWBIIQLO-UHFFFAOYSA-N 1 2 357.414 2.665 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000023778838 507373876 /nfs/dbraw/zinc/37/38/76/507373876.db2.gz DOBNNYVIFSVNRX-SFHVURJKSA-N 1 2 368.368 2.916 20 5 FFBDLO C[C@H](C(=O)N1CCCCCC1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047743950 507387290 /nfs/dbraw/zinc/38/72/90/507387290.db2.gz AZZKLBBOHDJORD-MRXNPFEDSA-N 1 2 360.458 2.508 20 5 FFBDLO C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047743128 507388323 /nfs/dbraw/zinc/38/83/23/507388323.db2.gz IYNUCZOQRARTQC-IYBDPMFKSA-N 1 2 360.458 2.506 20 5 FFBDLO Cc1cc(N2CC[NH+](CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000059384314 507498269 /nfs/dbraw/zinc/49/82/69/507498269.db2.gz ZZPGXNRPMVJJGV-HOTGVXAUSA-N 1 2 374.485 2.530 20 5 FFBDLO O=C(C[N@@H+](CCO)Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000070927050 507661838 /nfs/dbraw/zinc/66/18/38/507661838.db2.gz XWROXSUZZOASGY-UHFFFAOYSA-N 1 2 363.801 2.681 20 5 FFBDLO O=C(C[N@H+](CCO)Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000070927050 507661842 /nfs/dbraw/zinc/66/18/42/507661842.db2.gz XWROXSUZZOASGY-UHFFFAOYSA-N 1 2 363.801 2.681 20 5 FFBDLO Cc1cccc(N2CC[NH+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000029151014 507763582 /nfs/dbraw/zinc/76/35/82/507763582.db2.gz MCRKYHKNNWCWFE-UHFFFAOYSA-N 1 2 368.437 2.688 20 5 FFBDLO COc1ccc(OC)c2c1C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H]2O ZINC000051877048 507788937 /nfs/dbraw/zinc/78/89/37/507788937.db2.gz RCOYNNFGSJHPTO-OAHLLOKOSA-N 1 2 374.393 2.540 20 5 FFBDLO COc1ccc(OC)c2c1C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H]2O ZINC000051877048 507788939 /nfs/dbraw/zinc/78/89/39/507788939.db2.gz RCOYNNFGSJHPTO-OAHLLOKOSA-N 1 2 374.393 2.540 20 5 FFBDLO CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000031173386 507817928 /nfs/dbraw/zinc/81/79/28/507817928.db2.gz PXARMSRNYZHKTQ-CQSZACIVSA-N 1 2 371.393 2.695 20 5 FFBDLO CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000031173386 507817929 /nfs/dbraw/zinc/81/79/29/507817929.db2.gz PXARMSRNYZHKTQ-CQSZACIVSA-N 1 2 371.393 2.695 20 5 FFBDLO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000078189432 507845183 /nfs/dbraw/zinc/84/51/83/507845183.db2.gz FYLUGLKEANHFLE-CQSZACIVSA-N 1 2 367.833 2.575 20 5 FFBDLO O=C1NCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000072800252 507854909 /nfs/dbraw/zinc/85/49/09/507854909.db2.gz LOTCQBINCORCSV-MRXNPFEDSA-N 1 2 361.423 2.598 20 5 FFBDLO O=C1NCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000072800252 507854911 /nfs/dbraw/zinc/85/49/11/507854911.db2.gz LOTCQBINCORCSV-MRXNPFEDSA-N 1 2 361.423 2.598 20 5 FFBDLO CCN(CC)c1ccc(CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c[nH+]1 ZINC000108164495 507879249 /nfs/dbraw/zinc/87/92/49/507879249.db2.gz UNUZQAZDIZELTP-UHFFFAOYSA-N 1 2 358.398 2.775 20 5 FFBDLO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089897485 507880342 /nfs/dbraw/zinc/88/03/42/507880342.db2.gz MXMGYADSAPGWFG-KRWDZBQOSA-N 1 2 370.409 2.837 20 5 FFBDLO O=C1CCCN1[C@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089897485 507880344 /nfs/dbraw/zinc/88/03/44/507880344.db2.gz MXMGYADSAPGWFG-KRWDZBQOSA-N 1 2 370.409 2.837 20 5 FFBDLO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)C1 ZINC000091949071 508026918 /nfs/dbraw/zinc/02/69/18/508026918.db2.gz GRCKTUMBZVTZKK-AWEZNQCLSA-N 1 2 361.442 2.771 20 5 FFBDLO C[C@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000080045327 508029930 /nfs/dbraw/zinc/02/99/30/508029930.db2.gz MFHTWONPSWKEPN-AWEZNQCLSA-N 1 2 355.398 2.583 20 5 FFBDLO CC(C)(NC(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000080079962 508035471 /nfs/dbraw/zinc/03/54/71/508035471.db2.gz GIWDNINPKJHPPC-UHFFFAOYSA-N 1 2 371.441 2.905 20 5 FFBDLO CC(C)[C@]1(CO)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000377650310 512377034 /nfs/dbraw/zinc/37/70/34/512377034.db2.gz LWCQXBQAOWMXDR-YVEFUNNKSA-N 1 2 369.849 2.916 20 5 FFBDLO CC(C)[C@]1(CO)CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000377650310 512377037 /nfs/dbraw/zinc/37/70/37/512377037.db2.gz LWCQXBQAOWMXDR-YVEFUNNKSA-N 1 2 369.849 2.916 20 5 FFBDLO COc1cc(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1O ZINC000080847954 508107818 /nfs/dbraw/zinc/10/78/18/508107818.db2.gz OTBRWSWJIXEKPX-UHFFFAOYSA-N 1 2 359.382 2.688 20 5 FFBDLO COc1cc(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1O ZINC000080847954 508107820 /nfs/dbraw/zinc/10/78/20/508107820.db2.gz OTBRWSWJIXEKPX-UHFFFAOYSA-N 1 2 359.382 2.688 20 5 FFBDLO Cn1c(CCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])[nH+]c2ccccc21 ZINC000081009140 508124356 /nfs/dbraw/zinc/12/43/56/508124356.db2.gz DXFZYDWMKKYWCB-UHFFFAOYSA-N 1 2 353.382 2.625 20 5 FFBDLO CCO[C@@H](C)c1noc(C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])n1 ZINC000075887401 508140824 /nfs/dbraw/zinc/14/08/24/508140824.db2.gz OUDNLFBEZDJELM-LBPRGKRZSA-N 1 2 350.375 2.586 20 5 FFBDLO CCO[C@@H](C)c1noc(C[N@@H+](C)CCOc2ccccc2[N+](=O)[O-])n1 ZINC000075887401 508140826 /nfs/dbraw/zinc/14/08/26/508140826.db2.gz OUDNLFBEZDJELM-LBPRGKRZSA-N 1 2 350.375 2.586 20 5 FFBDLO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000076001972 508151172 /nfs/dbraw/zinc/15/11/72/508151172.db2.gz LGXJOADSIXQNDR-NSHDSACASA-N 1 2 359.342 2.554 20 5 FFBDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000076649266 508236063 /nfs/dbraw/zinc/23/60/63/508236063.db2.gz PDERUUCOKOLIOO-LLVKDONJSA-N 1 2 362.821 2.504 20 5 FFBDLO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000103465215 508313422 /nfs/dbraw/zinc/31/34/22/508313422.db2.gz QADFXIDUOIOWET-NSHDSACASA-N 1 2 367.402 2.574 20 5 FFBDLO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000103465215 508313425 /nfs/dbraw/zinc/31/34/25/508313425.db2.gz QADFXIDUOIOWET-NSHDSACASA-N 1 2 367.402 2.574 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000106242257 508398602 /nfs/dbraw/zinc/39/86/02/508398602.db2.gz CLJRDSWHPALOIF-ZJUUUORDSA-N 1 2 350.400 2.738 20 5 FFBDLO CCO[C@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C12CCC2 ZINC000152358383 508431179 /nfs/dbraw/zinc/43/11/79/508431179.db2.gz FGOWEIIZQULTTK-IRXDYDNUSA-N 1 2 370.409 2.858 20 5 FFBDLO Cc1ccc2[nH+]c(CNC(=O)CCOc3ccccc3[N+](=O)[O-])cn2c1 ZINC000115866842 508448815 /nfs/dbraw/zinc/44/88/15/508448815.db2.gz QXLFALYZTFLNAP-UHFFFAOYSA-N 1 2 354.366 2.636 20 5 FFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000152782023 508514754 /nfs/dbraw/zinc/51/47/54/508514754.db2.gz OXKXVPLKCKKUHD-CHWSQXEVSA-N 1 2 367.471 2.546 20 5 FFBDLO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153094204 508547572 /nfs/dbraw/zinc/54/75/72/508547572.db2.gz FIRHGTQRBJXHRE-GFCCVEGCSA-N 1 2 369.377 2.709 20 5 FFBDLO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153094204 508547576 /nfs/dbraw/zinc/54/75/76/508547576.db2.gz FIRHGTQRBJXHRE-GFCCVEGCSA-N 1 2 369.377 2.709 20 5 FFBDLO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000157656751 508593391 /nfs/dbraw/zinc/59/33/91/508593391.db2.gz FIIUEVYVAGEHAQ-UHFFFAOYSA-N 1 2 361.373 2.644 20 5 FFBDLO Cc1cc(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000153821273 508656580 /nfs/dbraw/zinc/65/65/80/508656580.db2.gz AFSJKLIRUGMSIS-INIZCTEOSA-N 1 2 362.430 2.622 20 5 FFBDLO CN(C)c1[nH+]cccc1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000123332491 508670068 /nfs/dbraw/zinc/67/00/68/508670068.db2.gz VEQLTXJMTKHQRO-UHFFFAOYSA-N 1 2 351.366 2.534 20 5 FFBDLO O=C(NCc1ccnc(-n2cc[nH+]c2)c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000129092795 508682054 /nfs/dbraw/zinc/68/20/54/508682054.db2.gz BOLOBTZMRCTYBI-UHFFFAOYSA-N 1 2 374.360 2.654 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3nc(-c4cccs4)no3)C2)nc1 ZINC000118866883 508688648 /nfs/dbraw/zinc/68/86/48/508688648.db2.gz CNPOSNBOVKYUDP-LLVKDONJSA-N 1 2 372.410 2.788 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3nc(-c4cccs4)no3)C2)nc1 ZINC000118866883 508688651 /nfs/dbraw/zinc/68/86/51/508688651.db2.gz CNPOSNBOVKYUDP-LLVKDONJSA-N 1 2 372.410 2.788 20 5 FFBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000119727783 508851464 /nfs/dbraw/zinc/85/14/64/508851464.db2.gz BYWUIDYQSKYUGS-INIZCTEOSA-N 1 2 356.426 2.742 20 5 FFBDLO Cc1cccc2[nH+]c(CNC(=O)NCCc3cccc([N+](=O)[O-])c3)cn21 ZINC000119787444 508862944 /nfs/dbraw/zinc/86/29/44/508862944.db2.gz BVXLXQSJYFYPKH-UHFFFAOYSA-N 1 2 353.382 2.593 20 5 FFBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000160099472 508938298 /nfs/dbraw/zinc/93/82/98/508938298.db2.gz DXVSSPFXBHKYJG-UHFFFAOYSA-N 1 2 373.800 2.938 20 5 FFBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000155193241 508944942 /nfs/dbraw/zinc/94/49/42/508944942.db2.gz BAEADICXMDIKJS-UHFFFAOYSA-N 1 2 360.345 2.526 20 5 FFBDLO COc1c(C)c[nH+]c(Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)c1C ZINC000126879456 509141644 /nfs/dbraw/zinc/14/16/44/509141644.db2.gz MPGRWTFANJADGB-UHFFFAOYSA-N 1 2 366.377 2.887 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000156323048 509159874 /nfs/dbraw/zinc/15/98/74/509159874.db2.gz LHBUHACSFPRMOS-INIZCTEOSA-N 1 2 362.430 2.622 20 5 FFBDLO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000185448081 509182339 /nfs/dbraw/zinc/18/23/39/509182339.db2.gz DUATTYIBUDWTJR-ZDUSSCGKSA-N 1 2 370.409 2.651 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185525540 509221606 /nfs/dbraw/zinc/22/16/06/509221606.db2.gz DQTGPIRAKAQFFH-UHFFFAOYSA-N 1 2 369.421 2.825 20 5 FFBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000185538587 509227823 /nfs/dbraw/zinc/22/78/23/509227823.db2.gz HKMVHBHCVAGPAX-IAGOWNOFSA-N 1 2 368.437 2.954 20 5 FFBDLO CCOC(=O)N1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000179177985 509307360 /nfs/dbraw/zinc/30/73/60/509307360.db2.gz IRGAFQBKJAWMCC-UHFFFAOYSA-N 1 2 374.397 2.914 20 5 FFBDLO CCOC(=O)N1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000179177985 509307365 /nfs/dbraw/zinc/30/73/65/509307365.db2.gz IRGAFQBKJAWMCC-UHFFFAOYSA-N 1 2 374.397 2.914 20 5 FFBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC000182600080 509324972 /nfs/dbraw/zinc/32/49/72/509324972.db2.gz DDIBTSMHCXJBJC-HNNXBMFYSA-N 1 2 370.331 2.884 20 5 FFBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC000182600080 509324979 /nfs/dbraw/zinc/32/49/79/509324979.db2.gz DDIBTSMHCXJBJC-HNNXBMFYSA-N 1 2 370.331 2.884 20 5 FFBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)n1 ZINC000182612984 509333190 /nfs/dbraw/zinc/33/31/90/509333190.db2.gz JFJFIRXGXFDILD-AWEZNQCLSA-N 1 2 370.331 2.884 20 5 FFBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)n1 ZINC000182612984 509333198 /nfs/dbraw/zinc/33/31/98/509333198.db2.gz JFJFIRXGXFDILD-AWEZNQCLSA-N 1 2 370.331 2.884 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2nccc(C(C)C)n2)CC1 ZINC000185845299 509382887 /nfs/dbraw/zinc/38/28/87/509382887.db2.gz NLNRIKRQQNXXRF-UHFFFAOYSA-N 1 2 371.441 2.839 20 5 FFBDLO COc1cccc2c1CC[N@@H+]([C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000182708216 509385090 /nfs/dbraw/zinc/38/50/90/509385090.db2.gz HWEUXUHQYGHABC-CYBMUJFWSA-N 1 2 355.394 2.989 20 5 FFBDLO COc1cccc2c1CC[N@H+]([C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000182708216 509385097 /nfs/dbraw/zinc/38/50/97/509385097.db2.gz HWEUXUHQYGHABC-CYBMUJFWSA-N 1 2 355.394 2.989 20 5 FFBDLO Cc1cc(N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)c(Br)cc1[N+](=O)[O-] ZINC000248671971 509429331 /nfs/dbraw/zinc/42/93/31/509429331.db2.gz UOGUTAXXDHBFCB-RYUDHWBXSA-N 1 2 372.263 2.557 20 5 FFBDLO Cc1cc(N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)c(Br)cc1[N+](=O)[O-] ZINC000248671971 509429336 /nfs/dbraw/zinc/42/93/36/509429336.db2.gz UOGUTAXXDHBFCB-RYUDHWBXSA-N 1 2 372.263 2.557 20 5 FFBDLO COc1cccc(C(=O)N2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)c1 ZINC000179423696 509436644 /nfs/dbraw/zinc/43/66/44/509436644.db2.gz WKSVHZQWVHYLHV-UHFFFAOYSA-N 1 2 369.421 2.870 20 5 FFBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000192293286 509447576 /nfs/dbraw/zinc/44/75/76/509447576.db2.gz OGOKCTICUDFBST-UHFFFAOYSA-N 1 2 359.430 2.976 20 5 FFBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCc3c(F)cc(F)cc3C2)c1 ZINC000164091363 509461966 /nfs/dbraw/zinc/46/19/66/509461966.db2.gz PLXHEQALKYOEHP-OAHLLOKOSA-N 1 2 364.348 2.671 20 5 FFBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCc3c(F)cc(F)cc3C2)c1 ZINC000164091363 509461975 /nfs/dbraw/zinc/46/19/75/509461975.db2.gz PLXHEQALKYOEHP-OAHLLOKOSA-N 1 2 364.348 2.671 20 5 FFBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCc3c(Cl)cc(Cl)cc3C2)c1 ZINC000164268017 509483182 /nfs/dbraw/zinc/48/31/82/509483182.db2.gz YXSCWNJLLWZJKG-CYBMUJFWSA-N 1 2 371.224 2.517 20 5 FFBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCc3c(Cl)cc(Cl)cc3C2)c1 ZINC000164268017 509483189 /nfs/dbraw/zinc/48/31/89/509483189.db2.gz YXSCWNJLLWZJKG-CYBMUJFWSA-N 1 2 371.224 2.517 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCSc2ncccc21 ZINC000173296931 509512883 /nfs/dbraw/zinc/51/28/83/509512883.db2.gz AJANHAWASSLYFW-UHFFFAOYSA-N 1 2 367.390 2.928 20 5 FFBDLO COc1ccc([C@@H](CO)[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000173393862 509571043 /nfs/dbraw/zinc/57/10/43/509571043.db2.gz BAYXHZVAPVLFKT-GOSISDBHSA-N 1 2 373.409 2.516 20 5 FFBDLO COc1ccc([C@@H](CO)[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000173393862 509571051 /nfs/dbraw/zinc/57/10/51/509571051.db2.gz BAYXHZVAPVLFKT-GOSISDBHSA-N 1 2 373.409 2.516 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189676425 509696783 /nfs/dbraw/zinc/69/67/83/509696783.db2.gz XDWBLTAZGFAZLD-UHFFFAOYSA-N 1 2 371.441 2.916 20 5 FFBDLO COC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000173689041 509722204 /nfs/dbraw/zinc/72/22/04/509722204.db2.gz NOXSRNCYIADHBF-CQSZACIVSA-N 1 2 370.365 2.799 20 5 FFBDLO CC[N@H+](CCS(C)(=O)=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000180088317 509745545 /nfs/dbraw/zinc/74/55/45/509745545.db2.gz FZHKSAMEIFRLDA-UHFFFAOYSA-N 1 2 352.412 2.721 20 5 FFBDLO CC[N@@H+](CCS(C)(=O)=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000180088317 509745552 /nfs/dbraw/zinc/74/55/52/509745552.db2.gz FZHKSAMEIFRLDA-UHFFFAOYSA-N 1 2 352.412 2.721 20 5 FFBDLO COc1cc(NC(=O)C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2C)cc(OC)c1 ZINC000183391387 509755926 /nfs/dbraw/zinc/75/59/26/509755926.db2.gz VTGJFZVTFNNFLK-UHFFFAOYSA-N 1 2 373.409 2.991 20 5 FFBDLO COc1cc(NC(=O)C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2C)cc(OC)c1 ZINC000183391387 509755932 /nfs/dbraw/zinc/75/59/32/509755932.db2.gz VTGJFZVTFNNFLK-UHFFFAOYSA-N 1 2 373.409 2.991 20 5 FFBDLO COc1cc(NCc2cc[nH+]c(N3CCOCC3)c2)c([N+](=O)[O-])cc1F ZINC000268120128 509768409 /nfs/dbraw/zinc/76/84/09/509768409.db2.gz BKDGDBTUGOSEJT-UHFFFAOYSA-N 1 2 362.361 2.586 20 5 FFBDLO COc1ccccc1N1CC[C@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000176967522 509790088 /nfs/dbraw/zinc/79/00/88/509790088.db2.gz WTERLTZWZPIFHG-KRWDZBQOSA-N 1 2 355.394 2.841 20 5 FFBDLO COc1ccccc1N1CC[C@H]([N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000176967522 509790092 /nfs/dbraw/zinc/79/00/92/509790092.db2.gz WTERLTZWZPIFHG-KRWDZBQOSA-N 1 2 355.394 2.841 20 5 FFBDLO C[C@@H]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@@H]1n1cc[nH+]c1 ZINC000268348645 509881398 /nfs/dbraw/zinc/88/13/98/509881398.db2.gz CNBWIKSHXCJVFI-PXAZEXFGSA-N 1 2 353.382 2.996 20 5 FFBDLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)Nc1ccncc1[N+](=O)[O-] ZINC000183628721 509893935 /nfs/dbraw/zinc/89/39/35/509893935.db2.gz UVIVYOCRJQMVKV-UHFFFAOYSA-N 1 2 366.381 2.599 20 5 FFBDLO CCc1cc(NC[C@H](C)c2nncn2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000190285471 510044513 /nfs/dbraw/zinc/04/45/13/510044513.db2.gz NQGZRQRKXBQUAJ-LBPRGKRZSA-N 1 2 367.413 2.958 20 5 FFBDLO COCCC1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCC1 ZINC000177818087 510270614 /nfs/dbraw/zinc/27/06/14/510270614.db2.gz JLKDRNJIXBYFKD-UHFFFAOYSA-N 1 2 358.398 2.717 20 5 FFBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269261854 510315035 /nfs/dbraw/zinc/31/50/35/510315035.db2.gz BPHBQGINIQLZHF-UHFFFAOYSA-N 1 2 371.393 2.693 20 5 FFBDLO O=C1[C@H]([N@@H+]2CCC[C@H](C(F)(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000171757740 510350562 /nfs/dbraw/zinc/35/05/62/510350562.db2.gz UCDAHWZWXIJJCD-SMDDNHRTSA-N 1 2 357.332 2.974 20 5 FFBDLO O=C1[C@H]([N@H+]2CCC[C@H](C(F)(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000171757740 510350565 /nfs/dbraw/zinc/35/05/65/510350565.db2.gz UCDAHWZWXIJJCD-SMDDNHRTSA-N 1 2 357.332 2.974 20 5 FFBDLO Cc1cccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)c1 ZINC000184599378 510408470 /nfs/dbraw/zinc/40/84/70/510408470.db2.gz CPIMROJMOUNFNF-UHFFFAOYSA-N 1 2 355.394 2.567 20 5 FFBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000178070045 510414841 /nfs/dbraw/zinc/41/48/41/510414841.db2.gz KKXZOWMKGPXYJO-UHFFFAOYSA-N 1 2 365.393 2.773 20 5 FFBDLO CCc1nc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000184712877 510478352 /nfs/dbraw/zinc/47/83/52/510478352.db2.gz OOBMDCMQXZBICB-NSHDSACASA-N 1 2 369.468 2.738 20 5 FFBDLO COCc1csc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000172154167 510573103 /nfs/dbraw/zinc/57/31/03/510573103.db2.gz FFTBRWDKLBKBFB-UHFFFAOYSA-N 1 2 359.367 2.636 20 5 FFBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000175451606 510653229 /nfs/dbraw/zinc/65/32/29/510653229.db2.gz OUDDXPIJKFUFSJ-HNNXBMFYSA-N 1 2 370.331 2.884 20 5 FFBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000175451606 510653236 /nfs/dbraw/zinc/65/32/36/510653236.db2.gz OUDDXPIJKFUFSJ-HNNXBMFYSA-N 1 2 370.331 2.884 20 5 FFBDLO CC(C)(C)c1[nH]c2ccc(NC(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)cc2[nH+]1 ZINC000178563301 510662653 /nfs/dbraw/zinc/66/26/53/510662653.db2.gz CGZDCKPCTPZBPZ-UHFFFAOYSA-N 1 2 369.381 2.569 20 5 FFBDLO C[C@]1(c2ccccc2)C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000182006353 510702790 /nfs/dbraw/zinc/70/27/90/510702790.db2.gz OBVDWSFMRSUDBT-FXAWDEMLSA-N 1 2 372.421 2.582 20 5 FFBDLO C[C@]1(c2ccccc2)C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000182006353 510702798 /nfs/dbraw/zinc/70/27/98/510702798.db2.gz OBVDWSFMRSUDBT-FXAWDEMLSA-N 1 2 372.421 2.582 20 5 FFBDLO C[C@@]1(c2ccccc2)C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000182006367 510703302 /nfs/dbraw/zinc/70/33/02/510703302.db2.gz OBVDWSFMRSUDBT-PXNSSMCTSA-N 1 2 372.421 2.582 20 5 FFBDLO C[C@@]1(c2ccccc2)C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000182006367 510703309 /nfs/dbraw/zinc/70/33/09/510703309.db2.gz OBVDWSFMRSUDBT-PXNSSMCTSA-N 1 2 372.421 2.582 20 5 FFBDLO O=C(NCCCNc1cccc[nH+]1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182034214 510721992 /nfs/dbraw/zinc/72/19/92/510721992.db2.gz SSFLMKSXBWQHCI-UHFFFAOYSA-N 1 2 366.324 2.823 20 5 FFBDLO Cn1cccc1[C@@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182044075 510727245 /nfs/dbraw/zinc/72/72/45/510727245.db2.gz YLGMNUOQFZWHDL-KRWDZBQOSA-N 1 2 363.439 2.544 20 5 FFBDLO Cn1cccc1[C@@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182044075 510727254 /nfs/dbraw/zinc/72/72/54/510727254.db2.gz 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ZINC000429139725 513288404 /nfs/dbraw/zinc/28/84/04/513288404.db2.gz XWIPXRCWRFIEOT-CYBMUJFWSA-N 1 2 371.393 2.825 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429139725 513288412 /nfs/dbraw/zinc/28/84/12/513288412.db2.gz XWIPXRCWRFIEOT-CYBMUJFWSA-N 1 2 371.393 2.825 20 5 FFBDLO COC[C@H]1CCCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450682552 513303046 /nfs/dbraw/zinc/30/30/46/513303046.db2.gz OYKCTMUETOHLBE-AWEZNQCLSA-N 1 2 358.398 2.669 20 5 FFBDLO CCn1cc[nH+]c1[C@H](C)Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000450825974 513358308 /nfs/dbraw/zinc/35/83/08/513358308.db2.gz GAGZEGVIDJVCCQ-LBPRGKRZSA-N 1 2 368.397 2.949 20 5 FFBDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000440641663 513368569 /nfs/dbraw/zinc/36/85/69/513368569.db2.gz WQKOKJZQAAKZAS-MRXNPFEDSA-N 1 2 370.837 2.543 20 5 FFBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCc3c(F)ccc(Br)c3C2)n1 ZINC000451113995 513531865 /nfs/dbraw/zinc/53/18/65/513531865.db2.gz CFWJRONSPDYAGS-UHFFFAOYSA-N 1 2 369.194 2.751 20 5 FFBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCc3c(F)ccc(Br)c3C2)n1 ZINC000451113995 513531869 /nfs/dbraw/zinc/53/18/69/513531869.db2.gz CFWJRONSPDYAGS-UHFFFAOYSA-N 1 2 369.194 2.751 20 5 FFBDLO Cc1nc(N2CCN(c3ccc([N+](=O)[O-])c4ncccc34)CC2)cc[nH+]1 ZINC000413241307 513542123 /nfs/dbraw/zinc/54/21/23/513542123.db2.gz VMVSKFJOYUSJSX-UHFFFAOYSA-N 1 2 350.382 2.568 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCc1ccc(O)cc1 ZINC000447803625 513575926 /nfs/dbraw/zinc/57/59/26/513575926.db2.gz UATLLJZPQGOILW-UHFFFAOYSA-N 1 2 357.410 2.787 20 5 FFBDLO C[C@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1(F)F ZINC000447806557 513577114 /nfs/dbraw/zinc/57/71/14/513577114.db2.gz NIDJMKZDKHRBHI-ZDUSSCGKSA-N 1 2 355.385 2.909 20 5 FFBDLO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000447815982 513579401 /nfs/dbraw/zinc/57/94/01/513579401.db2.gz IIYAIHUSTBDNDT-QWRGUYRKSA-N 1 2 371.821 2.556 20 5 FFBDLO Cc1nnc([C@@H]2CC[N@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C2)[nH]1 ZINC000425484400 513593454 /nfs/dbraw/zinc/59/34/54/513593454.db2.gz VRFWJFMZJRCZNZ-LLVKDONJSA-N 1 2 366.219 2.773 20 5 FFBDLO Cc1nnc([C@@H]2CC[N@@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C2)[nH]1 ZINC000425484400 513593459 /nfs/dbraw/zinc/59/34/59/513593459.db2.gz VRFWJFMZJRCZNZ-LLVKDONJSA-N 1 2 366.219 2.773 20 5 FFBDLO Cc1n[nH]c([C@@H]2CC[N@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C2)n1 ZINC000425484400 513593465 /nfs/dbraw/zinc/59/34/65/513593465.db2.gz VRFWJFMZJRCZNZ-LLVKDONJSA-N 1 2 366.219 2.773 20 5 FFBDLO Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C2)n1 ZINC000425484400 513593471 /nfs/dbraw/zinc/59/34/71/513593471.db2.gz VRFWJFMZJRCZNZ-LLVKDONJSA-N 1 2 366.219 2.773 20 5 FFBDLO Cc1nc([C@@H]2CC[N@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000425484400 513593477 /nfs/dbraw/zinc/59/34/77/513593477.db2.gz VRFWJFMZJRCZNZ-LLVKDONJSA-N 1 2 366.219 2.773 20 5 FFBDLO Cc1nc([C@@H]2CC[N@@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000425484400 513593484 /nfs/dbraw/zinc/59/34/84/513593484.db2.gz VRFWJFMZJRCZNZ-LLVKDONJSA-N 1 2 366.219 2.773 20 5 FFBDLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2OC)s1 ZINC000425488683 513594987 /nfs/dbraw/zinc/59/49/87/513594987.db2.gz NFYKTMDGCLTSGM-VIFPVBQESA-N 1 2 351.384 2.697 20 5 FFBDLO CC[C@](C)(C(=O)OC)[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC1CC1 ZINC000425515319 513614915 /nfs/dbraw/zinc/61/49/15/513614915.db2.gz SETPTKIZKAKYBW-GOSISDBHSA-N 1 2 363.414 2.587 20 5 FFBDLO CC[C@](C)(C(=O)OC)[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC1CC1 ZINC000425515319 513614916 /nfs/dbraw/zinc/61/49/16/513614916.db2.gz SETPTKIZKAKYBW-GOSISDBHSA-N 1 2 363.414 2.587 20 5 FFBDLO CON1CCC(N(C)c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000413370592 513620206 /nfs/dbraw/zinc/62/02/06/513620206.db2.gz VDSPZFAWJMCJAN-UHFFFAOYSA-N 1 2 357.414 2.822 20 5 FFBDLO CCC[C@@]1(CO)CCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451437351 513750949 /nfs/dbraw/zinc/75/09/49/513750949.db2.gz XZQGBTRPSPJRSC-SFHVURJKSA-N 1 2 358.398 2.548 20 5 FFBDLO O=C(NCc1[nH]cc[nH+]1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000426297777 513897835 /nfs/dbraw/zinc/89/78/35/513897835.db2.gz DENGAUDANVFCEN-UHFFFAOYSA-N 1 2 352.350 2.827 20 5 FFBDLO CC(C)(C)c1nc(=NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)s[nH]1 ZINC000448890006 513954879 /nfs/dbraw/zinc/95/48/79/513954879.db2.gz FPXYTRNHGLOWCH-UHFFFAOYSA-N 1 2 372.410 2.604 20 5 FFBDLO C[C@@H](CC(=O)OC(C)(C)C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448981764 514005588 /nfs/dbraw/zinc/00/55/88/514005588.db2.gz VBEGZIXSRMDDGX-LBPRGKRZSA-N 1 2 374.397 2.631 20 5 FFBDLO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C[N@@H+]1Cc1ccccc1 ZINC000436888761 514021488 /nfs/dbraw/zinc/02/14/88/514021488.db2.gz UBBPYDPWEDQYKG-UKRRQHHQSA-N 1 2 355.394 2.693 20 5 FFBDLO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C[N@H+]1Cc1ccccc1 ZINC000436888761 514021495 /nfs/dbraw/zinc/02/14/95/514021495.db2.gz UBBPYDPWEDQYKG-UKRRQHHQSA-N 1 2 355.394 2.693 20 5 FFBDLO C[C@H]1C[N@H+](C)CCN1C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444012285 514098931 /nfs/dbraw/zinc/09/89/31/514098931.db2.gz KWCGHFUWGRKUND-LBPRGKRZSA-N 1 2 353.397 2.597 20 5 FFBDLO C[C@H]1C[N@@H+](C)CCN1C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444012285 514098940 /nfs/dbraw/zinc/09/89/40/514098940.db2.gz KWCGHFUWGRKUND-LBPRGKRZSA-N 1 2 353.397 2.597 20 5 FFBDLO CCN1CCN(c2ccnc3c2cccc3[N+](=O)[O-])C[C@@H]1c1[nH]cc[nH+]1 ZINC000432181210 514118521 /nfs/dbraw/zinc/11/85/21/514118521.db2.gz ZFWORXWCNZDUNW-MRXNPFEDSA-N 1 2 352.398 2.749 20 5 FFBDLO CC[N@@H+]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])C[C@@H]1c1ncc[nH]1 ZINC000432181210 514118530 /nfs/dbraw/zinc/11/85/30/514118530.db2.gz ZFWORXWCNZDUNW-MRXNPFEDSA-N 1 2 352.398 2.749 20 5 FFBDLO CC[N@H+]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])C[C@@H]1c1ncc[nH]1 ZINC000432181210 514118533 /nfs/dbraw/zinc/11/85/33/514118533.db2.gz ZFWORXWCNZDUNW-MRXNPFEDSA-N 1 2 352.398 2.749 20 5 FFBDLO O=[N+]([O-])c1cccc(Cl)c1NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000432341298 514166233 /nfs/dbraw/zinc/16/62/33/514166233.db2.gz VWXXZLBJMDDGIE-HNNXBMFYSA-N 1 2 357.863 2.868 20 5 FFBDLO CC1(C)C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]2COC[C@@H]21 ZINC000452108041 514196274 /nfs/dbraw/zinc/19/62/74/514196274.db2.gz CTIGYQCOTFLHSI-SMDDNHRTSA-N 1 2 353.806 2.544 20 5 FFBDLO CC1(C)C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]2COC[C@@H]21 ZINC000452108041 514196279 /nfs/dbraw/zinc/19/62/79/514196279.db2.gz CTIGYQCOTFLHSI-SMDDNHRTSA-N 1 2 353.806 2.544 20 5 FFBDLO Cn1cc(C(=O)Nc2c[nH+]c3n2CCCC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000452335433 514289985 /nfs/dbraw/zinc/28/99/85/514289985.db2.gz QCMLQUTUIVMJRH-UHFFFAOYSA-N 1 2 366.381 2.780 20 5 FFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000427735190 514297776 /nfs/dbraw/zinc/29/77/76/514297776.db2.gz IBUSTPMUTDLWLS-CQSZACIVSA-N 1 2 367.471 2.547 20 5 FFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000427735190 514297780 /nfs/dbraw/zinc/29/77/80/514297780.db2.gz IBUSTPMUTDLWLS-CQSZACIVSA-N 1 2 367.471 2.547 20 5 FFBDLO CC(C)Cn1ccnc1CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449937624 514431512 /nfs/dbraw/zinc/43/15/12/514431512.db2.gz ZDGJLTWJMPVYEV-UHFFFAOYSA-N 1 2 368.397 2.563 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1-c1noc([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000445570098 514494188 /nfs/dbraw/zinc/49/41/88/514494188.db2.gz CXRHMPIILJEDLE-ZDUSSCGKSA-N 1 2 372.360 2.855 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1-c1noc([C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000445570098 514494195 /nfs/dbraw/zinc/49/41/95/514494195.db2.gz CXRHMPIILJEDLE-ZDUSSCGKSA-N 1 2 372.360 2.855 20 5 FFBDLO COc1ccc(CNC(=O)c2ccc3[nH+]c(C)n(C)c3c2)cc1[N+](=O)[O-] ZINC000475031642 514529680 /nfs/dbraw/zinc/52/96/80/514529680.db2.gz NYWGAFFHNPPCNK-UHFFFAOYSA-N 1 2 354.366 2.729 20 5 FFBDLO C[C@H](Nc1ccc(C(=O)NCc2c[nH+]c[nH]2)cc1[N+](=O)[O-])c1ccccn1 ZINC000461462392 514627245 /nfs/dbraw/zinc/62/72/45/514627245.db2.gz YXPKAHALBCJQKL-LBPRGKRZSA-N 1 2 366.381 2.816 20 5 FFBDLO C[C@H](Nc1ccc(C(=O)NCc2c[nH]c[nH+]2)cc1[N+](=O)[O-])c1ccccn1 ZINC000461462392 514627246 /nfs/dbraw/zinc/62/72/46/514627246.db2.gz YXPKAHALBCJQKL-LBPRGKRZSA-N 1 2 366.381 2.816 20 5 FFBDLO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000470960003 514692848 /nfs/dbraw/zinc/69/28/48/514692848.db2.gz NXQRJBPUKFQCCU-GXFFZTMASA-N 1 2 357.332 2.757 20 5 FFBDLO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000470960003 514692856 /nfs/dbraw/zinc/69/28/56/514692856.db2.gz NXQRJBPUKFQCCU-GXFFZTMASA-N 1 2 357.332 2.757 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(C)n1 ZINC000471198207 514793965 /nfs/dbraw/zinc/79/39/65/514793965.db2.gz CPYXPYPHQFQJMO-CYBMUJFWSA-N 1 2 358.398 2.766 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(C)n1 ZINC000471198207 514793974 /nfs/dbraw/zinc/79/39/74/514793974.db2.gz CPYXPYPHQFQJMO-CYBMUJFWSA-N 1 2 358.398 2.766 20 5 FFBDLO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CCCn2cc[nH+]c21 ZINC000467211027 514940379 /nfs/dbraw/zinc/94/03/79/514940379.db2.gz GSFHBEJADKZODF-GFCCVEGCSA-N 1 2 363.805 2.822 20 5 FFBDLO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000489745126 514958891 /nfs/dbraw/zinc/95/88/91/514958891.db2.gz WKFLVCQKGGRNNB-UHFFFAOYSA-N 1 2 365.393 2.928 20 5 FFBDLO Cc1cc(Nc2ccc3ncc([N+](=O)[O-])n3n2)c[nH+]c1N1CCCC[C@H]1C ZINC000503272660 514986810 /nfs/dbraw/zinc/98/68/10/514986810.db2.gz AZCRJAJWUFPHLG-CYBMUJFWSA-N 1 2 367.413 2.885 20 5 FFBDLO Nc1c(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)cccc1[N+](=O)[O-] ZINC000485641156 515122409 /nfs/dbraw/zinc/12/24/09/515122409.db2.gz ZFEXQUWBXNSWKD-UHFFFAOYSA-N 1 2 369.425 2.882 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000476672140 515150890 /nfs/dbraw/zinc/15/08/90/515150890.db2.gz WJUUGGOVWHAOSN-QGZVFWFLSA-N 1 2 365.393 2.798 20 5 FFBDLO O=C(NC[C@@H](CO)C1CCCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000509722661 515301888 /nfs/dbraw/zinc/30/18/88/515301888.db2.gz APXWWVVFKOTOPB-INIZCTEOSA-N 1 2 372.425 2.699 20 5 FFBDLO CCOc1cc(C[NH+]2CCN(c3ccc(F)cn3)CC2)ccc1[N+](=O)[O-] ZINC000492579844 515544531 /nfs/dbraw/zinc/54/45/31/515544531.db2.gz BQIQQBLOTRWKQO-UHFFFAOYSA-N 1 2 360.389 2.850 20 5 FFBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cnn(CC(F)(F)F)c3)CC2)c1 ZINC000510486168 515552889 /nfs/dbraw/zinc/55/28/89/515552889.db2.gz WDDMHFMHHBDRSI-UHFFFAOYSA-N 1 2 369.347 2.676 20 5 FFBDLO COc1ccccc1[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000505551833 515581983 /nfs/dbraw/zinc/58/19/83/515581983.db2.gz VAVDOJUSFLRMPH-INIZCTEOSA-N 1 2 359.357 2.529 20 5 FFBDLO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000468982411 515613239 /nfs/dbraw/zinc/61/32/39/515613239.db2.gz NPJFNSZWFQPJGD-UHFFFAOYSA-N 1 2 355.394 2.826 20 5 FFBDLO CN(C)c1noc([C@@H]2CCC[N@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)n1 ZINC000510639240 515617931 /nfs/dbraw/zinc/61/79/31/515617931.db2.gz CWILFOAKGMJDDE-SNVBAGLBSA-N 1 2 367.356 2.702 20 5 FFBDLO CN(C)c1noc([C@@H]2CCC[N@@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)n1 ZINC000510639240 515617942 /nfs/dbraw/zinc/61/79/42/515617942.db2.gz CWILFOAKGMJDDE-SNVBAGLBSA-N 1 2 367.356 2.702 20 5 FFBDLO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000469038318 515641549 /nfs/dbraw/zinc/64/15/49/515641549.db2.gz UEBDCFPWAQBCHA-MRXNPFEDSA-N 1 2 359.382 2.850 20 5 FFBDLO COc1cc(C[NH+]2CC(CCO)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000459596901 515682224 /nfs/dbraw/zinc/68/22/24/515682224.db2.gz TXDMWGPIQPXHDA-UHFFFAOYSA-N 1 2 372.421 2.997 20 5 FFBDLO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000469222088 515729246 /nfs/dbraw/zinc/72/92/46/515729246.db2.gz ZDAATYKADFVFRV-GOSISDBHSA-N 1 2 355.394 2.867 20 5 FFBDLO CCCCNC(=O)C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000482696563 515773730 /nfs/dbraw/zinc/77/37/30/515773730.db2.gz ZYFNFLSQLGMYSX-UHFFFAOYSA-N 1 2 359.430 2.599 20 5 FFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ncccc1S(C)(=O)=O ZINC000487177305 515789506 /nfs/dbraw/zinc/78/95/06/515789506.db2.gz CZODTTSKYWUDGP-UKTHLTGXSA-N 1 2 361.423 2.586 20 5 FFBDLO O=C(NCCCn1cc[nH+]c1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000457396109 515847732 /nfs/dbraw/zinc/84/77/32/515847732.db2.gz YOZCSDBOYNBXEM-INIZCTEOSA-N 1 2 357.414 2.771 20 5 FFBDLO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000494645134 515908514 /nfs/dbraw/zinc/90/85/14/515908514.db2.gz FTUUHJDUPCJALR-RYUDHWBXSA-N 1 2 356.806 2.791 20 5 FFBDLO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000494645134 515908518 /nfs/dbraw/zinc/90/85/18/515908518.db2.gz FTUUHJDUPCJALR-RYUDHWBXSA-N 1 2 356.806 2.791 20 5 FFBDLO COC(=O)[C@@H]1c2ccccc2CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000464818843 515972613 /nfs/dbraw/zinc/97/26/13/515972613.db2.gz QHTHHYGTJYPMNW-SFHVURJKSA-N 1 2 356.378 2.746 20 5 FFBDLO COC(=O)[C@@H]1c2ccccc2CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000464818843 515972622 /nfs/dbraw/zinc/97/26/22/515972622.db2.gz QHTHHYGTJYPMNW-SFHVURJKSA-N 1 2 356.378 2.746 20 5 FFBDLO COC(=O)c1cc(NC(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)c(C)c([N+](=O)[O-])c1 ZINC000455259170 516079830 /nfs/dbraw/zinc/07/98/30/516079830.db2.gz ABWMNJYNFRLPTM-ZANVPECISA-N 1 2 373.369 2.714 20 5 FFBDLO CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000488060518 516100293 /nfs/dbraw/zinc/10/02/93/516100293.db2.gz IMPBRFSOAQFODH-QAPCUYQASA-N 1 2 372.425 2.962 20 5 FFBDLO C[C@H]1CCCN(c2ccc(C(=O)Nc3cc[nH+]cc3O)cc2[N+](=O)[O-])C1 ZINC000512011335 516114125 /nfs/dbraw/zinc/11/41/25/516114125.db2.gz RMAKKXAWKHKUNW-LBPRGKRZSA-N 1 2 356.382 2.606 20 5 FFBDLO Cc1nn(C)c(-c2nc(CCn3c(C)[nH+]c4ccccc43)no2)c1[N+](=O)[O-] ZINC000460833501 516261914 /nfs/dbraw/zinc/26/19/14/516261914.db2.gz YDPZIVPLEVEKPH-UHFFFAOYSA-N 1 2 367.369 2.588 20 5 FFBDLO Cc1ccn2cc(CNC(=O)CSc3ccc([N+](=O)[O-])cc3)[nH+]c2c1 ZINC000517487911 516340717 /nfs/dbraw/zinc/34/07/17/516340717.db2.gz YEOAYOBIJWKFOD-UHFFFAOYSA-N 1 2 356.407 2.959 20 5 FFBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000557625820 516344188 /nfs/dbraw/zinc/34/41/88/516344188.db2.gz LVUAZADGLMICAT-SJCJKPOMSA-N 1 2 358.398 2.974 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000561135322 516400594 /nfs/dbraw/zinc/40/05/94/516400594.db2.gz GBRQBWWJSMDHMM-UHFFFAOYSA-N 1 2 367.365 2.633 20 5 FFBDLO CCC(CC)([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(=O)OC ZINC000517752671 516438682 /nfs/dbraw/zinc/43/86/82/516438682.db2.gz YEMGELSMCMBYOC-UHFFFAOYSA-N 1 2 351.403 2.553 20 5 FFBDLO COCC1(C)CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000540236810 516487759 /nfs/dbraw/zinc/48/77/59/516487759.db2.gz HIJOWKPQEYHFIJ-UHFFFAOYSA-N 1 2 358.398 2.669 20 5 FFBDLO NC(=O)c1cccc(N2CCC(CCCn3cc[nH+]c3)CC2)c1[N+](=O)[O-] ZINC000561269000 516490719 /nfs/dbraw/zinc/49/07/19/516490719.db2.gz XVOFYYCWLIDQEQ-UHFFFAOYSA-N 1 2 357.414 2.587 20 5 FFBDLO C[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1c(F)cncc1F ZINC000513260740 516546622 /nfs/dbraw/zinc/54/66/22/516546622.db2.gz JYLKQMRHLZDGPX-MEBBXXQBSA-N 1 2 362.336 2.724 20 5 FFBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000544145144 516611531 /nfs/dbraw/zinc/61/15/31/516611531.db2.gz IHOAOHDGYCIKMM-GFCCVEGCSA-N 1 2 364.348 2.671 20 5 FFBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000544145144 516611538 /nfs/dbraw/zinc/61/15/38/516611538.db2.gz IHOAOHDGYCIKMM-GFCCVEGCSA-N 1 2 364.348 2.671 20 5 FFBDLO CCOC(=O)c1ccnc(NCCn2c(C)[nH+]c3ccccc32)c1[N+](=O)[O-] ZINC000524104985 516643056 /nfs/dbraw/zinc/64/30/56/516643056.db2.gz OZGLEAAQSBGPAW-UHFFFAOYSA-N 1 2 369.381 2.937 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)nc1 ZINC000531883671 516691055 /nfs/dbraw/zinc/69/10/55/516691055.db2.gz JWMVWUXSYLYKBD-UHFFFAOYSA-N 1 2 367.365 2.539 20 5 FFBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000561898737 516820350 /nfs/dbraw/zinc/82/03/50/516820350.db2.gz NQFYJGQNBJZADD-INIZCTEOSA-N 1 2 357.414 2.664 20 5 FFBDLO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000561906344 516823190 /nfs/dbraw/zinc/82/31/90/516823190.db2.gz HNTAJYCRQZUVRI-MRXNPFEDSA-N 1 2 357.414 2.664 20 5 FFBDLO CC(C)[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1[nH]cc[nH+]1 ZINC000555309460 516873620 /nfs/dbraw/zinc/87/36/20/516873620.db2.gz WVDPADPDOKMMID-OAHLLOKOSA-N 1 2 354.370 2.631 20 5 FFBDLO NC(=O)c1ccc(C[N@@H+]2CC[C@](F)(c3ccccc3F)C2)c([N+](=O)[O-])c1 ZINC000558863926 516978430 /nfs/dbraw/zinc/97/84/30/516978430.db2.gz IPJHOERDWYHREA-GOSISDBHSA-N 1 2 361.348 2.904 20 5 FFBDLO NC(=O)c1ccc(C[N@H+]2CC[C@](F)(c3ccccc3F)C2)c([N+](=O)[O-])c1 ZINC000558863926 516978436 /nfs/dbraw/zinc/97/84/36/516978436.db2.gz IPJHOERDWYHREA-GOSISDBHSA-N 1 2 361.348 2.904 20 5 FFBDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1cc([N+](=O)[O-])n[nH]1 ZINC000552196725 517136436 /nfs/dbraw/zinc/13/64/36/517136436.db2.gz PXWNRBQJZMFLKC-UHFFFAOYSA-N 1 2 352.354 2.770 20 5 FFBDLO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCCCCn1cc[nH+]c1 ZINC000537603804 517253261 /nfs/dbraw/zinc/25/32/61/517253261.db2.gz MAAQDRZFOVFKPU-UHFFFAOYSA-N 1 2 350.350 2.999 20 5 FFBDLO COc1ccc(NC(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)cc1[N+](=O)[O-] ZINC000542029772 517346434 /nfs/dbraw/zinc/34/64/34/517346434.db2.gz UZXPZGJWCCUKJA-GFCCVEGCSA-N 1 2 359.386 2.807 20 5 FFBDLO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542168728 517419007 /nfs/dbraw/zinc/41/90/07/517419007.db2.gz RZEYFPYIHGKPCK-UHFFFAOYSA-N 1 2 372.425 2.889 20 5 FFBDLO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCCCn1cc[nH+]c1 ZINC000515984509 517528819 /nfs/dbraw/zinc/52/88/19/517528819.db2.gz ZWMSWZRAYLZNSZ-UHFFFAOYSA-N 1 2 374.444 2.948 20 5 FFBDLO CC(C)[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@H](O)COc1ccccc1 ZINC000549614527 517637665 /nfs/dbraw/zinc/63/76/65/517637665.db2.gz GHBXTTVOPKNQLC-KRWDZBQOSA-N 1 2 360.410 2.951 20 5 FFBDLO CC(C)[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@H](O)COc1ccccc1 ZINC000549614527 517637675 /nfs/dbraw/zinc/63/76/75/517637675.db2.gz GHBXTTVOPKNQLC-KRWDZBQOSA-N 1 2 360.410 2.951 20 5 FFBDLO COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000549687652 517659169 /nfs/dbraw/zinc/65/91/69/517659169.db2.gz MZFNUKKVICMABQ-GUYCJALGSA-N 1 2 358.394 2.810 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]CCNc1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000560529006 517875028 /nfs/dbraw/zinc/87/50/28/517875028.db2.gz TWFLZNZGCFGPQP-QGZVFWFLSA-N 1 2 352.398 2.514 20 5 FFBDLO O=C(NCc1cccc(-c2[nH]cc[nH+]2)c1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000543125382 517922563 /nfs/dbraw/zinc/92/25/63/517922563.db2.gz MBHVPVMJCPYAHN-UHFFFAOYSA-N 1 2 362.349 2.791 20 5 FFBDLO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCn2c[nH+]cc2C1 ZINC000560798954 518033320 /nfs/dbraw/zinc/03/33/20/518033320.db2.gz AYHNOEQDRKLTLT-VIFPVBQESA-N 1 2 365.187 2.755 20 5 FFBDLO CC(C)(NC(=O)c1cc(-n2cc[nH+]c2)ccn1)c1ccccc1[N+](=O)[O-] ZINC000554064294 518047157 /nfs/dbraw/zinc/04/71/57/518047157.db2.gz JECNBQMDEWYABT-UHFFFAOYSA-N 1 2 351.366 2.841 20 5 FFBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000550474060 518076659 /nfs/dbraw/zinc/07/66/59/518076659.db2.gz GAZBBATWZVGXPK-UHFFFAOYSA-N 1 2 373.384 2.571 20 5 FFBDLO C[C@@H]1C[N@@H+](C[C@H]2CCCN2CCOc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000557603230 518101628 /nfs/dbraw/zinc/10/16/28/518101628.db2.gz JXEBVYCAEYMYPY-SOLBZPMBSA-N 1 2 363.458 2.547 20 5 FFBDLO C[C@@H]1C[N@H+](C[C@H]2CCCN2CCOc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000557603230 518101642 /nfs/dbraw/zinc/10/16/42/518101642.db2.gz JXEBVYCAEYMYPY-SOLBZPMBSA-N 1 2 363.458 2.547 20 5 FFBDLO COc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1C ZINC000539817387 518167206 /nfs/dbraw/zinc/16/72/06/518167206.db2.gz IBQQNXOVLHNWGM-UHFFFAOYSA-N 1 2 369.421 2.870 20 5 FFBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CCc3c(cccc3[N+](=O)[O-])C1)CCC2 ZINC000535251466 518170535 /nfs/dbraw/zinc/17/05/35/518170535.db2.gz HYMZRSJWSZCEGW-CQSZACIVSA-N 1 2 369.425 2.745 20 5 FFBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000588070208 518716564 /nfs/dbraw/zinc/71/65/64/518716564.db2.gz OTSCITNNZNOORT-YPMHNXCESA-N 1 2 370.247 2.657 20 5 FFBDLO C[C@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCC1(F)F ZINC000565275428 518871885 /nfs/dbraw/zinc/87/18/85/518871885.db2.gz LPOUUKQZMIUOTQ-ZDUSSCGKSA-N 1 2 355.385 2.909 20 5 FFBDLO COC(=O)C[C@H]1COCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000589205442 518951641 /nfs/dbraw/zinc/95/16/41/518951641.db2.gz QVPSWYZTIGTDQA-ZDUSSCGKSA-N 1 2 360.366 2.619 20 5 FFBDLO COC(=O)C[C@H]1COCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000589205442 518951646 /nfs/dbraw/zinc/95/16/46/518951646.db2.gz QVPSWYZTIGTDQA-ZDUSSCGKSA-N 1 2 360.366 2.619 20 5 FFBDLO COC(=O)[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@@H](OC)C1 ZINC000574046209 518962174 /nfs/dbraw/zinc/96/21/74/518962174.db2.gz FITLZIFDAPPNHU-OWVRIDJTSA-N 1 2 362.426 2.944 20 5 FFBDLO C[C@H](C(=O)N1CCC[N@H+](Cc2cscn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000577254972 518989308 /nfs/dbraw/zinc/98/93/08/518989308.db2.gz GZVGUUZGHQWEQV-AWEZNQCLSA-N 1 2 374.466 2.889 20 5 FFBDLO C[C@H](C(=O)N1CCC[N@@H+](Cc2cscn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000577254972 518989314 /nfs/dbraw/zinc/98/93/14/518989314.db2.gz GZVGUUZGHQWEQV-AWEZNQCLSA-N 1 2 374.466 2.889 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000580200477 519058915 /nfs/dbraw/zinc/05/89/15/519058915.db2.gz VOORAEUSKKUAHA-HZPDHXFCSA-N 1 2 370.409 2.812 20 5 FFBDLO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCc2[nH]c[nH+]c2C1 ZINC000590552079 519262444 /nfs/dbraw/zinc/26/24/44/519262444.db2.gz FPJGOJJYCMOJCM-UHFFFAOYSA-N 1 2 355.379 2.640 20 5 FFBDLO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCc2[nH+]c[nH]c2C1 ZINC000590552079 519262452 /nfs/dbraw/zinc/26/24/52/519262452.db2.gz FPJGOJJYCMOJCM-UHFFFAOYSA-N 1 2 355.379 2.640 20 5 FFBDLO COC(=O)c1ccnc(Nc2ccc(N3CCCCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000590570561 519270493 /nfs/dbraw/zinc/27/04/93/519270493.db2.gz XAQKJFQUZSVEDG-UHFFFAOYSA-N 1 2 357.370 2.905 20 5 FFBDLO COc1cccc2c1C[N@@H+]([C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000590759618 519354838 /nfs/dbraw/zinc/35/48/38/519354838.db2.gz AGMLVLAYJDHFSE-CYBMUJFWSA-N 1 2 355.394 2.989 20 5 FFBDLO COc1cccc2c1C[N@H+]([C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000590759618 519354843 /nfs/dbraw/zinc/35/48/43/519354843.db2.gz AGMLVLAYJDHFSE-CYBMUJFWSA-N 1 2 355.394 2.989 20 5 FFBDLO COc1cccc2c1C[N@H+](CC(=O)N1CCc3cc([N+](=O)[O-])ccc31)CC2 ZINC000590759758 519354855 /nfs/dbraw/zinc/35/48/55/519354855.db2.gz KJFVPELDQLCHIN-UHFFFAOYSA-N 1 2 367.405 2.551 20 5 FFBDLO COc1cccc2c1C[N@@H+](CC(=O)N1CCc3cc([N+](=O)[O-])ccc31)CC2 ZINC000590759758 519354859 /nfs/dbraw/zinc/35/48/59/519354859.db2.gz KJFVPELDQLCHIN-UHFFFAOYSA-N 1 2 367.405 2.551 20 5 FFBDLO C[C@@H](C(=O)NCC1CC[NH+](CC(F)F)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000566688067 519612510 /nfs/dbraw/zinc/61/25/10/519612510.db2.gz SSMJTHIZDBANDW-LLVKDONJSA-N 1 2 373.375 2.931 20 5 FFBDLO Cc1ccc(C)c(S(=O)(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c1[N+](=O)[O-] ZINC000616242922 519953502 /nfs/dbraw/zinc/95/35/02/519953502.db2.gz DDTWZZFENJZVLU-UHFFFAOYSA-N 1 2 373.394 2.593 20 5 FFBDLO CC1CCN(c2ccc(C(=O)N3CCc4[nH]c[nH+]c4C3)cc2[N+](=O)[O-])CC1 ZINC000599948466 519966820 /nfs/dbraw/zinc/96/68/20/519966820.db2.gz IFVGCXQUGVYCEG-UHFFFAOYSA-N 1 2 369.425 2.753 20 5 FFBDLO CC1CCN(c2ccc(C(=O)N3CCc4[nH+]c[nH]c4C3)cc2[N+](=O)[O-])CC1 ZINC000599948466 519966827 /nfs/dbraw/zinc/96/68/27/519966827.db2.gz IFVGCXQUGVYCEG-UHFFFAOYSA-N 1 2 369.425 2.753 20 5 FFBDLO C[C@@H](C(=O)NCC[NH+]1Cc2ccccc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000612482608 519985650 /nfs/dbraw/zinc/98/56/50/519985650.db2.gz WYGLHZBTUUREPX-CYBMUJFWSA-N 1 2 357.385 2.969 20 5 FFBDLO Cc1ccc2[nH+]c(CNS(=O)(=O)c3c(C)ccc(C)c3[N+](=O)[O-])cn2c1 ZINC000616411606 520005059 /nfs/dbraw/zinc/00/50/59/520005059.db2.gz ASTXEHREXBGTQO-UHFFFAOYSA-N 1 2 374.422 2.646 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cscn1 ZINC000594709271 520105258 /nfs/dbraw/zinc/10/52/58/520105258.db2.gz FETOTYGKJUWOIS-ZJUUUORDSA-N 1 2 350.400 2.738 20 5 FFBDLO Cc1cccc2[nH+]c(CCNC(=O)NCc3cccc([N+](=O)[O-])c3C)cn21 ZINC000591970197 520113260 /nfs/dbraw/zinc/11/32/60/520113260.db2.gz BVILMBVYQOUTCE-UHFFFAOYSA-N 1 2 367.409 2.901 20 5 FFBDLO Cc1ccccc1[C@H]1C(=O)NCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000612747557 520123345 /nfs/dbraw/zinc/12/33/45/520123345.db2.gz SHORCXGKFAWCHE-IBGZPJMESA-N 1 2 369.421 2.845 20 5 FFBDLO Cc1ccccc1[C@H]1C(=O)NCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000612747557 520123353 /nfs/dbraw/zinc/12/33/53/520123353.db2.gz SHORCXGKFAWCHE-IBGZPJMESA-N 1 2 369.421 2.845 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c1C ZINC000608909252 520160536 /nfs/dbraw/zinc/16/05/36/520160536.db2.gz FPCLAZCLIHODCG-UHFFFAOYSA-N 1 2 373.394 2.593 20 5 FFBDLO CC(C)c1ccc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000597706353 520187940 /nfs/dbraw/zinc/18/79/40/520187940.db2.gz DJKLHGBUCYCHLY-INIZCTEOSA-N 1 2 361.442 2.655 20 5 FFBDLO O=C(Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1)c1cccc([N+](=O)[O-])c1 ZINC000603680600 520342368 /nfs/dbraw/zinc/34/23/68/520342368.db2.gz RKFZNQCKHZFSGN-UHFFFAOYSA-N 1 2 367.365 2.560 20 5 FFBDLO Cc1[nH+]c(-c2ccncc2)nc(NCCOc2ccc([N+](=O)[O-])cc2)c1C ZINC000609595524 520371099 /nfs/dbraw/zinc/37/10/99/520371099.db2.gz KACBWKUPAOAZGR-UHFFFAOYSA-N 1 2 365.393 2.976 20 5 FFBDLO Cc1cc(S(=O)(=O)Nc2cccc3c2CC[N@@H+](C)C3)ccc1[N+](=O)[O-] ZINC000609657663 520396686 /nfs/dbraw/zinc/39/66/86/520396686.db2.gz IUTDHJGOJLIUJQ-UHFFFAOYSA-N 1 2 361.423 2.692 20 5 FFBDLO Cc1cc(S(=O)(=O)Nc2cccc3c2CC[N@H+](C)C3)ccc1[N+](=O)[O-] ZINC000609657663 520396697 /nfs/dbraw/zinc/39/66/97/520396697.db2.gz IUTDHJGOJLIUJQ-UHFFFAOYSA-N 1 2 361.423 2.692 20 5 FFBDLO COCC[N@H+](CCOc1ccc(F)cc1)Cc1onc(C)c1[N+](=O)[O-] ZINC000595312599 520401691 /nfs/dbraw/zinc/40/16/91/520401691.db2.gz ONXDMOSVFHTBDJ-UHFFFAOYSA-N 1 2 353.350 2.558 20 5 FFBDLO COCC[N@@H+](CCOc1ccc(F)cc1)Cc1onc(C)c1[N+](=O)[O-] ZINC000595312599 520401696 /nfs/dbraw/zinc/40/16/96/520401696.db2.gz ONXDMOSVFHTBDJ-UHFFFAOYSA-N 1 2 353.350 2.558 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCOCc2ccccc2)CC1 ZINC000595377658 520436999 /nfs/dbraw/zinc/43/69/99/520436999.db2.gz QFCPYFWOZJTKIG-UHFFFAOYSA-N 1 2 369.421 2.569 20 5 FFBDLO Cc1noc(C[NH+]2CCN(c3ccc4ccccc4n3)CC2)c1[N+](=O)[O-] ZINC000595376604 520438053 /nfs/dbraw/zinc/43/80/53/520438053.db2.gz KNYCQDMZUGLXOJ-UHFFFAOYSA-N 1 2 353.382 2.762 20 5 FFBDLO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3onc(C)c3[N+](=O)[O-])ccc2NC1=O ZINC000595419067 520457949 /nfs/dbraw/zinc/45/79/49/520457949.db2.gz WYBBRTCREXGROL-RNCFNFMXSA-N 1 2 360.370 2.852 20 5 FFBDLO CS(=O)(=O)C[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000595418247 520458408 /nfs/dbraw/zinc/45/84/08/520458408.db2.gz FIGXSMXDFXDCLO-HNNXBMFYSA-N 1 2 352.387 2.609 20 5 FFBDLO COC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(OC)c1 ZINC000595683755 520645820 /nfs/dbraw/zinc/64/58/20/520645820.db2.gz JWXQAAJNTDGENE-KRWDZBQOSA-N 1 2 356.382 2.957 20 5 FFBDLO Cc1cccn2cc(CCNC(=O)CCOc3ccccc3[N+](=O)[O-])[nH+]c12 ZINC000610435086 520681843 /nfs/dbraw/zinc/68/18/43/520681843.db2.gz XPQPCWJPKFMZND-UHFFFAOYSA-N 1 2 368.393 2.679 20 5 FFBDLO COc1ccc(C(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1[N+](=O)[O-] ZINC000610434710 520682030 /nfs/dbraw/zinc/68/20/30/520682030.db2.gz IIIZJYBUSOTMDS-UHFFFAOYSA-N 1 2 354.366 2.532 20 5 FFBDLO Cc1cccn2cc(CCNC(=O)NCc3ccccc3[N+](=O)[O-])[nH+]c12 ZINC000610457962 520697184 /nfs/dbraw/zinc/69/71/84/520697184.db2.gz KXDGLQPPQXJKEB-UHFFFAOYSA-N 1 2 353.382 2.593 20 5 FFBDLO O=[N+]([O-])c1cncc(Cl)c1NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601240067 520703492 /nfs/dbraw/zinc/70/34/92/520703492.db2.gz FLQBSAGMPXGIGM-UHFFFAOYSA-N 1 2 365.846 2.625 20 5 FFBDLO O=C1[C@H]([N@@H+]2CCOC(C3CC3)(C3CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595821099 520744951 /nfs/dbraw/zinc/74/49/51/520744951.db2.gz ABKYOJNKLKFGSZ-GOSISDBHSA-N 1 2 371.437 2.591 20 5 FFBDLO O=C1[C@H]([N@H+]2CCOC(C3CC3)(C3CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595821099 520744956 /nfs/dbraw/zinc/74/49/56/520744956.db2.gz ABKYOJNKLKFGSZ-GOSISDBHSA-N 1 2 371.437 2.591 20 5 FFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)c2c(c1)COCO2 ZINC000595821319 520745641 /nfs/dbraw/zinc/74/56/41/520745641.db2.gz DFTVWKKHBWIRFI-UHFFFAOYSA-N 1 2 360.410 2.852 20 5 FFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)c2c(c1)COCO2 ZINC000595821319 520745651 /nfs/dbraw/zinc/74/56/51/520745651.db2.gz DFTVWKKHBWIRFI-UHFFFAOYSA-N 1 2 360.410 2.852 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595833152 520756179 /nfs/dbraw/zinc/75/61/79/520756179.db2.gz SJNQRTKFADCFMA-MRXNPFEDSA-N 1 2 355.394 2.995 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595833152 520756185 /nfs/dbraw/zinc/75/61/85/520756185.db2.gz SJNQRTKFADCFMA-MRXNPFEDSA-N 1 2 355.394 2.995 20 5 FFBDLO Cc1sc(C(N)=O)cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000610732951 520820302 /nfs/dbraw/zinc/82/03/02/520820302.db2.gz MHWBNTFLHHYHCB-UHFFFAOYSA-N 1 2 371.378 2.502 20 5 FFBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCn2c[nH+]cc2C1 ZINC000598947176 520936187 /nfs/dbraw/zinc/93/61/87/520936187.db2.gz KEDKMKPBFPTNBI-NSHDSACASA-N 1 2 366.830 2.668 20 5 FFBDLO O=[N+]([O-])c1cc2ccccc2nc1NCC1CC[NH+](CC(F)F)CC1 ZINC000596240112 520989923 /nfs/dbraw/zinc/98/99/23/520989923.db2.gz ULZVJUHLHCIWNH-UHFFFAOYSA-N 1 2 350.369 2.954 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)nccc2NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000593458442 521006191 /nfs/dbraw/zinc/00/61/91/521006191.db2.gz QKNSOKKXDHWXDX-UHFFFAOYSA-N 1 2 365.393 2.987 20 5 FFBDLO Cc1nc(N2CCN(c3ccnc4cc([N+](=O)[O-])ccc43)CC2)cc[nH+]1 ZINC000593466174 521010919 /nfs/dbraw/zinc/01/09/19/521010919.db2.gz ATIWHIWQIBGJAE-UHFFFAOYSA-N 1 2 350.382 2.568 20 5 FFBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCO[C@H](C(F)F)CC2)cccc1[N+](=O)[O-] ZINC000601977122 521052181 /nfs/dbraw/zinc/05/21/81/521052181.db2.gz RLKDCRSUJRWGKM-FZMZJTMJSA-N 1 2 357.357 2.586 20 5 FFBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCO[C@H](C(F)F)CC2)cccc1[N+](=O)[O-] ZINC000601977122 521052189 /nfs/dbraw/zinc/05/21/89/521052189.db2.gz RLKDCRSUJRWGKM-FZMZJTMJSA-N 1 2 357.357 2.586 20 5 FFBDLO Cc1ccccc1N1CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611252758 521059876 /nfs/dbraw/zinc/05/98/76/521059876.db2.gz ICSRJMZZLTYVOH-UHFFFAOYSA-N 1 2 369.421 2.997 20 5 FFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000611253540 521060082 /nfs/dbraw/zinc/06/00/82/521060082.db2.gz IIPKFDLIBRGHTQ-CQSZACIVSA-N 1 2 371.441 2.998 20 5 FFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000611253540 521060089 /nfs/dbraw/zinc/06/00/89/521060089.db2.gz IIPKFDLIBRGHTQ-CQSZACIVSA-N 1 2 371.441 2.998 20 5 FFBDLO COc1ccc(NC(=O)C[NH+]2CCC(c3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC000611258254 521062035 /nfs/dbraw/zinc/06/20/35/521062035.db2.gz BHMWVGXADLNMRH-UHFFFAOYSA-N 1 2 370.409 2.817 20 5 FFBDLO CCOC[C@@H]1CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000599159424 521063270 /nfs/dbraw/zinc/06/32/70/521063270.db2.gz WQDNNASBDPHZTG-INIZCTEOSA-N 1 2 358.398 2.602 20 5 FFBDLO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000599178180 521072817 /nfs/dbraw/zinc/07/28/17/521072817.db2.gz CLMWBXLAKJSWEX-UHFFFAOYSA-N 1 2 368.441 2.923 20 5 FFBDLO CCOc1cccc(NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)c1[N+](=O)[O-] ZINC000599184533 521077080 /nfs/dbraw/zinc/07/70/80/521077080.db2.gz FTTLOUMDDHYZAF-MRXNPFEDSA-N 1 2 372.425 2.701 20 5 FFBDLO CCOc1cccc(NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)c1[N+](=O)[O-] ZINC000599184533 521077090 /nfs/dbraw/zinc/07/70/90/521077090.db2.gz FTTLOUMDDHYZAF-MRXNPFEDSA-N 1 2 372.425 2.701 20 5 FFBDLO O=[N+]([O-])c1cc2c(cc1CNc1[nH]c3cccc(Cl)c3[nH+]1)OCCO2 ZINC000618619899 521148975 /nfs/dbraw/zinc/14/89/75/521148975.db2.gz UXGRLAJTCNIKKK-UHFFFAOYSA-N 1 2 360.757 2.930 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596598623 521157435 /nfs/dbraw/zinc/15/74/35/521157435.db2.gz JDHYDYHJBWTHSR-UHFFFAOYSA-N 1 2 357.414 2.649 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596598623 521157443 /nfs/dbraw/zinc/15/74/43/521157443.db2.gz JDHYDYHJBWTHSR-UHFFFAOYSA-N 1 2 357.414 2.649 20 5 FFBDLO COc1ccc(C[N@@H+]2CCc3nnc(N4CCCC4)cc3C2)cc1[N+](=O)[O-] ZINC000596618645 521167516 /nfs/dbraw/zinc/16/75/16/521167516.db2.gz PHMPYMQTDOPDSB-UHFFFAOYSA-N 1 2 369.425 2.552 20 5 FFBDLO COc1ccc(C[N@H+]2CCc3nnc(N4CCCC4)cc3C2)cc1[N+](=O)[O-] ZINC000596618645 521167524 /nfs/dbraw/zinc/16/75/24/521167524.db2.gz PHMPYMQTDOPDSB-UHFFFAOYSA-N 1 2 369.425 2.552 20 5 FFBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000602150359 521174136 /nfs/dbraw/zinc/17/41/36/521174136.db2.gz IBDGRQQUDOJVQO-AWEZNQCLSA-N 1 2 370.331 2.986 20 5 FFBDLO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000602168216 521182789 /nfs/dbraw/zinc/18/27/89/521182789.db2.gz SNBXNIXJMKKWIK-SFHVURJKSA-N 1 2 370.409 2.858 20 5 FFBDLO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000602168216 521182798 /nfs/dbraw/zinc/18/27/98/521182798.db2.gz SNBXNIXJMKKWIK-SFHVURJKSA-N 1 2 370.409 2.858 20 5 FFBDLO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000611534738 521207502 /nfs/dbraw/zinc/20/75/02/521207502.db2.gz GQISATKDSNICRY-MRXNPFEDSA-N 1 2 369.421 2.942 20 5 FFBDLO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000611534738 521207512 /nfs/dbraw/zinc/20/75/12/521207512.db2.gz GQISATKDSNICRY-MRXNPFEDSA-N 1 2 369.421 2.942 20 5 FFBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](OC(F)F)C2)cccc1[N+](=O)[O-] ZINC000611576450 521229716 /nfs/dbraw/zinc/22/97/16/521229716.db2.gz ALTXZNPUYKOWEN-VXGBXAGGSA-N 1 2 357.357 2.934 20 5 FFBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](OC(F)F)C2)cccc1[N+](=O)[O-] ZINC000611576450 521229721 /nfs/dbraw/zinc/22/97/21/521229721.db2.gz ALTXZNPUYKOWEN-VXGBXAGGSA-N 1 2 357.357 2.934 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594027543 521360075 /nfs/dbraw/zinc/36/00/75/521360075.db2.gz VUGITNHQQPZYED-OAHLLOKOSA-N 1 2 363.414 2.575 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594027543 521360080 /nfs/dbraw/zinc/36/00/80/521360080.db2.gz VUGITNHQQPZYED-OAHLLOKOSA-N 1 2 363.414 2.575 20 5 FFBDLO O=[N+]([O-])c1ccc2oc(CNCC[N@@H+]3CCc4ccccc4C3)nc2c1 ZINC000602512110 521388892 /nfs/dbraw/zinc/38/88/92/521388892.db2.gz PPKDOPFLFTUMSO-UHFFFAOYSA-N 1 2 352.394 2.884 20 5 FFBDLO O=[N+]([O-])c1ccc2oc(CNCC[N@H+]3CCc4ccccc4C3)nc2c1 ZINC000602512110 521388896 /nfs/dbraw/zinc/38/88/96/521388896.db2.gz PPKDOPFLFTUMSO-UHFFFAOYSA-N 1 2 352.394 2.884 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCc1ccc(CO)cc1 ZINC000619154628 521421404 /nfs/dbraw/zinc/42/14/04/521421404.db2.gz ZBEGCKWTYRPODL-UHFFFAOYSA-N 1 2 371.437 2.574 20 5 FFBDLO COCCO[C@@H]1CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602629361 521444850 /nfs/dbraw/zinc/44/48/50/521444850.db2.gz NMOAFGRJQSJJJI-SECBINFHSA-N 1 2 365.249 2.656 20 5 FFBDLO COCCO[C@@H]1CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602629361 521444853 /nfs/dbraw/zinc/44/48/53/521444853.db2.gz NMOAFGRJQSJJJI-SECBINFHSA-N 1 2 365.249 2.656 20 5 FFBDLO C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000602643405 521453622 /nfs/dbraw/zinc/45/36/22/521453622.db2.gz GAJPWYCTWOJHSC-IAQYHMDHSA-N 1 2 360.332 2.993 20 5 FFBDLO C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000602643405 521453625 /nfs/dbraw/zinc/45/36/25/521453625.db2.gz GAJPWYCTWOJHSC-IAQYHMDHSA-N 1 2 360.332 2.993 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)c(Cl)c1 ZINC000826498051 608131777 /nfs/dbraw/zinc/13/17/77/608131777.db2.gz FTJCCDQNFVFQHO-UHFFFAOYSA-N 1 2 362.752 2.857 20 5 FFBDLO O=C(N[C@H]1CCC[N@H+](CCF)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000898494229 735369334 /nfs/dbraw/zinc/36/93/34/735369334.db2.gz IEGGDJQGLKHGDK-NSHDSACASA-N 1 2 363.311 2.777 20 5 FFBDLO O=C(N[C@H]1CCC[N@@H+](CCF)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000898494229 735369338 /nfs/dbraw/zinc/36/93/38/735369338.db2.gz IEGGDJQGLKHGDK-NSHDSACASA-N 1 2 363.311 2.777 20 5 FFBDLO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cc1Br)n1cc[nH+]c1 ZINC000898904660 735422004 /nfs/dbraw/zinc/42/20/04/735422004.db2.gz YSWHCTGLHFEENS-UHFFFAOYSA-N 1 2 367.203 2.719 20 5 FFBDLO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1cc(-n2cc[nH+]c2)ccn1 ZINC000778880742 738418413 /nfs/dbraw/zinc/41/84/13/738418413.db2.gz IHOVEUNKVNXTIU-UHFFFAOYSA-N 1 2 357.757 2.759 20 5 FFBDLO O=C([O-])C[NH+]1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000874047232 732000776 /nfs/dbraw/zinc/00/07/76/732000776.db2.gz MANBVCPCBMEOIU-UHFFFAOYSA-N 1 2 362.213 2.540 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]C[C@@H](O)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000780765015 738574883 /nfs/dbraw/zinc/57/48/83/738574883.db2.gz USFXJNRKZULLJW-CVEARBPZSA-N 1 2 358.423 2.802 20 5 FFBDLO C[C@H]1COCC[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878299243 732511289 /nfs/dbraw/zinc/51/12/89/732511289.db2.gz RHAVLSPUSHULLT-SNVBAGLBSA-N 1 2 352.778 2.767 20 5 FFBDLO C[C@H]1COCC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878299243 732511292 /nfs/dbraw/zinc/51/12/92/732511292.db2.gz RHAVLSPUSHULLT-SNVBAGLBSA-N 1 2 352.778 2.767 20 5 FFBDLO O=C(C[N@@H+]1CC[C@@H]2CSC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000879558469 732722657 /nfs/dbraw/zinc/72/26/57/732722657.db2.gz JHEWNWYXZGVRMW-GHMZBOCLSA-N 1 2 355.847 2.872 20 5 FFBDLO O=C(C[N@H+]1CC[C@@H]2CSC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000879558469 732722663 /nfs/dbraw/zinc/72/26/63/732722663.db2.gz JHEWNWYXZGVRMW-GHMZBOCLSA-N 1 2 355.847 2.872 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@](OC)(C(F)(F)F)C2)c1 ZINC000880306746 732884352 /nfs/dbraw/zinc/88/43/52/732884352.db2.gz BYVDJGWXLRKLRT-AWEZNQCLSA-N 1 2 362.304 2.535 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@](OC)(C(F)(F)F)C2)c1 ZINC000880306746 732884359 /nfs/dbraw/zinc/88/43/59/732884359.db2.gz BYVDJGWXLRKLRT-AWEZNQCLSA-N 1 2 362.304 2.535 20 5 FFBDLO Cc1ccc([C@H](C)[NH2+]Cc2nc(Br)nn2C)cc1[N+](=O)[O-] ZINC000894316609 734835944 /nfs/dbraw/zinc/83/59/44/734835944.db2.gz MQYSFHAVRYMJPY-VIFPVBQESA-N 1 2 354.208 2.645 20 5 FFBDLO CC(C)C[C@H](C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F)n1cc[nH+]c1 ZINC000911472534 737202934 /nfs/dbraw/zinc/20/29/34/737202934.db2.gz MBQHMHXOVLMXGI-OAHLLOKOSA-N 1 2 352.341 2.973 20 5 FFBDLO C[N@H+](CCCOc1ccccc1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000917614987 737768561 /nfs/dbraw/zinc/76/85/61/737768561.db2.gz CNBYNVIGOLSBQF-UHFFFAOYSA-N 1 2 369.219 2.912 20 5 FFBDLO C[N@@H+](CCCOc1ccccc1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000917614987 737768565 /nfs/dbraw/zinc/76/85/65/737768565.db2.gz CNBYNVIGOLSBQF-UHFFFAOYSA-N 1 2 369.219 2.912 20 5 FFBDLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000773427755 737905290 /nfs/dbraw/zinc/90/52/90/737905290.db2.gz YZLDLSDLGWDYGE-LBPRGKRZSA-N 1 2 357.204 2.885 20 5 FFBDLO C[N@H+]1CCCC[C@H]1C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000773427755 737905292 /nfs/dbraw/zinc/90/52/92/737905292.db2.gz YZLDLSDLGWDYGE-LBPRGKRZSA-N 1 2 357.204 2.885 20 5 FFBDLO Cc1nnc([C@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3Br)C2)[nH]1 ZINC000930724588 739154137 /nfs/dbraw/zinc/15/41/37/739154137.db2.gz HBJSNHJDLPYJSR-JTQLQIEISA-N 1 2 366.219 2.773 20 5 FFBDLO Cc1nnc([C@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Br)C2)[nH]1 ZINC000930724588 739154140 /nfs/dbraw/zinc/15/41/40/739154140.db2.gz HBJSNHJDLPYJSR-JTQLQIEISA-N 1 2 366.219 2.773 20 5 FFBDLO Cc1n[nH]c([C@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3Br)C2)n1 ZINC000930724588 739154142 /nfs/dbraw/zinc/15/41/42/739154142.db2.gz HBJSNHJDLPYJSR-JTQLQIEISA-N 1 2 366.219 2.773 20 5 FFBDLO Cc1n[nH]c([C@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Br)C2)n1 ZINC000930724588 739154144 /nfs/dbraw/zinc/15/41/44/739154144.db2.gz HBJSNHJDLPYJSR-JTQLQIEISA-N 1 2 366.219 2.773 20 5 FFBDLO Nc1ccc(CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c[nH+]1 ZINC000791095141 739530066 /nfs/dbraw/zinc/53/00/66/739530066.db2.gz NJCDHQGLNMWRHR-UHFFFAOYSA-N 1 2 366.175 2.656 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCN(C)C(=O)OC(C)(C)C ZINC000797518556 740252824 /nfs/dbraw/zinc/25/28/24/740252824.db2.gz HZPUOGJPNARZCX-UHFFFAOYSA-N 1 2 353.419 2.902 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCN(C)C(=O)OC(C)(C)C ZINC000797518556 740252826 /nfs/dbraw/zinc/25/28/26/740252826.db2.gz HZPUOGJPNARZCX-UHFFFAOYSA-N 1 2 353.419 2.902 20 5 FFBDLO COCCO[C@@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000800850604 740556223 /nfs/dbraw/zinc/55/62/23/740556223.db2.gz RGZORGOSUHFJRD-CQSZACIVSA-N 1 2 368.821 2.683 20 5 FFBDLO COCCO[C@@H]1CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000800850604 740556226 /nfs/dbraw/zinc/55/62/26/740556226.db2.gz RGZORGOSUHFJRD-CQSZACIVSA-N 1 2 368.821 2.683 20 5 FFBDLO Cn1cc[nH+]c1CCCOC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000802784211 740730875 /nfs/dbraw/zinc/73/08/75/740730875.db2.gz KWXFKUORYRHPLQ-UHFFFAOYSA-N 1 2 368.187 2.880 20 5 FFBDLO O=C(OCc1cccc(C[NH+]2CCOCC2)c1)c1csc([N+](=O)[O-])c1 ZINC000817181313 742102580 /nfs/dbraw/zinc/10/25/80/742102580.db2.gz BMEITJXEHNDCMZ-UHFFFAOYSA-N 1 2 362.407 2.846 20 5 FFBDLO CC(=O)OC1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000822774258 742782347 /nfs/dbraw/zinc/78/23/47/742782347.db2.gz CHRUPHJOVMQKKC-UHFFFAOYSA-N 1 2 357.204 2.885 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCC(n3cc[nH+]c3)CC2)c1F ZINC000824856258 743165236 /nfs/dbraw/zinc/16/52/36/743165236.db2.gz UTLDRNRZCOPHPO-UHFFFAOYSA-N 1 2 350.325 2.855 20 5 FFBDLO O=C(NCc1ccc2c(c1)C[N@@H+](Cc1ccsc1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001054264617 745006392 /nfs/dbraw/zinc/00/63/92/745006392.db2.gz MXYFQALAWYLFTC-IAGOWNOFSA-N 1 2 357.435 2.545 20 5 FFBDLO O=C(NCc1ccc2c(c1)C[N@H+](Cc1ccsc1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001054264617 745006400 /nfs/dbraw/zinc/00/64/00/745006400.db2.gz MXYFQALAWYLFTC-IAGOWNOFSA-N 1 2 357.435 2.545 20 5 FFBDLO CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000830509114 745373071 /nfs/dbraw/zinc/37/30/71/745373071.db2.gz BXJWUWNZNHGUSU-GFCCVEGCSA-N 1 2 361.320 2.886 20 5 FFBDLO CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000830509114 745373074 /nfs/dbraw/zinc/37/30/74/745373074.db2.gz BXJWUWNZNHGUSU-GFCCVEGCSA-N 1 2 361.320 2.886 20 5 FFBDLO O=C(CCc1[nH]cc[nH+]1)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000839870331 746948677 /nfs/dbraw/zinc/94/86/77/746948677.db2.gz SUVSCOVGEKJFIB-CYBMUJFWSA-N 1 2 360.267 2.809 20 5 FFBDLO C[C@@H](C(=O)NC1CCC(C)CC1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000025556673 971397309 /nfs/dbraw/zinc/39/73/09/971397309.db2.gz VDLSKVXJKTYQOI-CGZBRXJRSA-N 1 2 374.485 2.800 20 5 FFBDLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H](CO)c1ccccc1 ZINC001167310544 961560949 /nfs/dbraw/zinc/56/09/49/961560949.db2.gz WEIXCHAKYNJMOO-INIZCTEOSA-N 1 2 363.801 2.852 20 5 FFBDLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H](CO)c1ccccc1 ZINC001167310544 961560961 /nfs/dbraw/zinc/56/09/61/961560961.db2.gz WEIXCHAKYNJMOO-INIZCTEOSA-N 1 2 363.801 2.852 20 5 FFBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000126353330 963595401 /nfs/dbraw/zinc/59/54/01/963595401.db2.gz FPPIKVUVLIEPOG-UHFFFAOYSA-N 1 2 370.409 2.691 20 5 FFBDLO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCC[C@H](Oc4ncccc4F)C3)c2c1 ZINC000782841584 969731123 /nfs/dbraw/zinc/73/11/23/969731123.db2.gz FWKYETZDKUZQPM-HNNXBMFYSA-N 1 2 371.372 2.980 20 5 FFBDLO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CCC[C@H](Oc4ncccc4F)C3)c2c1 ZINC000782841584 969731126 /nfs/dbraw/zinc/73/11/26/969731126.db2.gz FWKYETZDKUZQPM-HNNXBMFYSA-N 1 2 371.372 2.980 20 5 FFBDLO COc1c(C(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000874890901 1013924259 /nfs/dbraw/zinc/92/42/59/1013924259.db2.gz BSIKYZDIQZYMKD-HNNXBMFYSA-N 1 2 359.357 2.529 20 5 FFBDLO COc1cccc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000193883114 989093712 /nfs/dbraw/zinc/09/37/12/989093712.db2.gz JDKSFHDSUSZZAC-INIZCTEOSA-N 1 2 355.394 2.732 20 5 FFBDLO COc1cccc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000193883114 989093723 /nfs/dbraw/zinc/09/37/23/989093723.db2.gz JDKSFHDSUSZZAC-INIZCTEOSA-N 1 2 355.394 2.732 20 5 FFBDLO CC[N@H+](C)[C@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000175471915 991207932 /nfs/dbraw/zinc/20/79/32/991207932.db2.gz AMFSFIRUJNMDBJ-SFHVURJKSA-N 1 2 371.393 2.770 20 5 FFBDLO CC[N@@H+](C)[C@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000175471915 991207939 /nfs/dbraw/zinc/20/79/39/991207939.db2.gz AMFSFIRUJNMDBJ-SFHVURJKSA-N 1 2 371.393 2.770 20 5 FFBDLO CC[N@H+](C)[C@@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000175471936 991208145 /nfs/dbraw/zinc/20/81/45/991208145.db2.gz AMFSFIRUJNMDBJ-GOSISDBHSA-N 1 2 371.393 2.770 20 5 FFBDLO CC[N@@H+](C)[C@@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000175471936 991208151 /nfs/dbraw/zinc/20/81/51/991208151.db2.gz AMFSFIRUJNMDBJ-GOSISDBHSA-N 1 2 371.393 2.770 20 5 FFBDLO COc1ccc([C@H]2C[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CCO2)cc1 ZINC000879634835 1015621105 /nfs/dbraw/zinc/62/11/05/1015621105.db2.gz XSPQQKKGSRBQMH-RBUKOAKNSA-N 1 2 358.394 2.710 20 5 FFBDLO COc1ccc([C@H]2C[N@@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CCO2)cc1 ZINC000879634835 1015621109 /nfs/dbraw/zinc/62/11/09/1015621109.db2.gz XSPQQKKGSRBQMH-RBUKOAKNSA-N 1 2 358.394 2.710 20 5 FFBDLO Cn1cc(COC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c(Cl)n1 ZINC001129285394 991296868 /nfs/dbraw/zinc/29/68/68/991296868.db2.gz LJYDVUFOIGLLPX-UHFFFAOYSA-N 1 2 361.745 2.524 20 5 FFBDLO O=C(N[C@@H](C1CCC1)[C@H]1CCCO1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001131609824 994456271 /nfs/dbraw/zinc/45/62/71/994456271.db2.gz UXRJGKNTBLOLGH-MSOLQXFVSA-N 1 2 370.409 2.858 20 5 FFBDLO CC1(C)C[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1[C@H]1CCCO1 ZINC000811777720 995240858 /nfs/dbraw/zinc/24/08/58/995240858.db2.gz JNONVFKLAFMGBM-HZPDHXFCSA-N 1 2 357.414 2.700 20 5 FFBDLO CC1(C)C[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1[C@H]1CCCO1 ZINC000811777720 995240867 /nfs/dbraw/zinc/24/08/67/995240867.db2.gz JNONVFKLAFMGBM-HZPDHXFCSA-N 1 2 357.414 2.700 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)n2)c1 ZINC000811793522 995264151 /nfs/dbraw/zinc/26/41/51/995264151.db2.gz WERYTVPTIARYPI-SJORKVTESA-N 1 2 369.425 2.844 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)n2)c1 ZINC000811793522 995264159 /nfs/dbraw/zinc/26/41/59/995264159.db2.gz WERYTVPTIARYPI-SJORKVTESA-N 1 2 369.425 2.844 20 5 FFBDLO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)OCc1cccc([N+](=O)[O-])c1 ZINC000740702136 999680952 /nfs/dbraw/zinc/68/09/52/999680952.db2.gz NKCGPCAPGDONHJ-LJQANCHMSA-N 1 2 370.405 2.929 20 5 FFBDLO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)OCc1cccc([N+](=O)[O-])c1 ZINC000740702136 999680955 /nfs/dbraw/zinc/68/09/55/999680955.db2.gz NKCGPCAPGDONHJ-LJQANCHMSA-N 1 2 370.405 2.929 20 5 FFBDLO CC(C)(C)OC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168977761 1000012237 /nfs/dbraw/zinc/01/22/37/1000012237.db2.gz LQRPIQGNKUWJBH-ZOBUZTSGSA-N 1 2 364.442 2.680 20 5 FFBDLO COC(=O)c1cc([N+](=O)[O-])c(NCCc2cn3ccccc3[nH+]2)cc1OC ZINC001169003302 1000014658 /nfs/dbraw/zinc/01/46/58/1000014658.db2.gz BZBNOQFWXKZURM-UHFFFAOYSA-N 1 2 370.365 2.692 20 5 FFBDLO COC(=O)Cc1ccc(NCCc2cn3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC001169004494 1000015064 /nfs/dbraw/zinc/01/50/64/1000015064.db2.gz NKPQKVLVPHFXKO-UHFFFAOYSA-N 1 2 354.366 2.613 20 5 FFBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767615407 1000127972 /nfs/dbraw/zinc/12/79/72/1000127972.db2.gz WTDQYZAPTVLSKG-NXHRZFHOSA-N 1 2 362.426 2.570 20 5 FFBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767615407 1000127975 /nfs/dbraw/zinc/12/79/75/1000127975.db2.gz WTDQYZAPTVLSKG-NXHRZFHOSA-N 1 2 362.426 2.570 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(O)(c4ccccc4)CC3)nc2c1 ZINC000769789102 1000604174 /nfs/dbraw/zinc/60/41/74/1000604174.db2.gz OQHKONBPQWDXRR-UHFFFAOYSA-N 1 2 352.394 2.955 20 5 FFBDLO O=C(OCc1ccc(CO)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785676212 1001466685 /nfs/dbraw/zinc/46/66/85/1001466685.db2.gz BMNPCAKRDPDAHB-UHFFFAOYSA-N 1 2 353.334 2.630 20 5 FFBDLO C[C@@H]1CCCN(c2ccc(C(=O)OCCc3c[nH+]cn3C)cc2[N+](=O)[O-])C1 ZINC000793248716 1003318779 /nfs/dbraw/zinc/31/87/79/1003318779.db2.gz BVRUNCTXQZQKMZ-CQSZACIVSA-N 1 2 372.425 2.964 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(c2ncco2)CC1 ZINC001196789437 1003956490 /nfs/dbraw/zinc/95/64/90/1003956490.db2.gz LMYQYYWUNSXQLH-LBPRGKRZSA-N 1 2 374.397 2.798 20 5 FFBDLO CC[N@@H+](CC(=O)Nc1ccccc1OC)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776574961 1005953855 /nfs/dbraw/zinc/95/38/55/1005953855.db2.gz MMOIWOZTVVXKKI-KRWDZBQOSA-N 1 2 373.409 2.597 20 5 FFBDLO CC[N@H+](CC(=O)Nc1ccccc1OC)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776574961 1005953856 /nfs/dbraw/zinc/95/38/56/1005953856.db2.gz MMOIWOZTVVXKKI-KRWDZBQOSA-N 1 2 373.409 2.597 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC(CC2CCOCC2)C1 ZINC000881927993 1006260041 /nfs/dbraw/zinc/26/00/41/1006260041.db2.gz RGGAIGFEGAIGLZ-UHFFFAOYSA-N 1 2 370.409 2.669 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000775166854 1006571239 /nfs/dbraw/zinc/57/12/39/1006571239.db2.gz BLSFOTXZHCFHNN-ROUUACIJSA-N 1 2 370.384 2.880 20 5 FFBDLO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CCN(c3ncc([N+](=O)[O-])s3)C2)O1 ZINC000882980836 1006585893 /nfs/dbraw/zinc/58/58/93/1006585893.db2.gz VLAHHGOUVVPFQG-KBXCAEBGSA-N 1 2 374.466 2.921 20 5 FFBDLO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]2(CCN(c3ncc([N+](=O)[O-])s3)C2)O1 ZINC000882980836 1006585898 /nfs/dbraw/zinc/58/58/98/1006585898.db2.gz VLAHHGOUVVPFQG-KBXCAEBGSA-N 1 2 374.466 2.921 20 5 FFBDLO CC1(c2nnc(C3CCOCC3)o2)C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000854074000 1006660734 /nfs/dbraw/zinc/66/07/34/1006660734.db2.gz IVYYUCMATMWTLJ-UHFFFAOYSA-N 1 2 358.398 2.645 20 5 FFBDLO Nc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000819916724 1008249619 /nfs/dbraw/zinc/24/96/19/1008249619.db2.gz RMLKVJMHLLFHCA-UHFFFAOYSA-N 1 2 368.309 2.523 20 5 FFBDLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)c3ccccc3[N+](=O)[O-])C2)c1 ZINC000826567627 1009172502 /nfs/dbraw/zinc/17/25/02/1009172502.db2.gz AKOBOAZJBCCXLU-QGZVFWFLSA-N 1 2 369.421 2.534 20 5 FFBDLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)c3ccccc3[N+](=O)[O-])C2)c1 ZINC000826567627 1009172510 /nfs/dbraw/zinc/17/25/10/1009172510.db2.gz AKOBOAZJBCCXLU-QGZVFWFLSA-N 1 2 369.421 2.534 20 5 FFBDLO CCNc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)cn1 ZINC001179711754 1009420052 /nfs/dbraw/zinc/42/00/52/1009420052.db2.gz LYKIIGAKSZYJAD-UHFFFAOYSA-N 1 2 352.354 2.860 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)nc1 ZINC000118866498 1009787842 /nfs/dbraw/zinc/78/78/42/1009787842.db2.gz VDVWYDIIBZKAHZ-NSHDSACASA-N 1 2 361.333 2.724 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)nc1 ZINC000118866498 1009787860 /nfs/dbraw/zinc/78/78/60/1009787860.db2.gz VDVWYDIIBZKAHZ-NSHDSACASA-N 1 2 361.333 2.724 20 5 FFBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000014307598 1010007024 /nfs/dbraw/zinc/00/70/24/1010007024.db2.gz JEKOPEMWMUSKPS-KRWDZBQOSA-N 1 2 351.362 2.985 20 5 FFBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000014307598 1010007038 /nfs/dbraw/zinc/00/70/38/1010007038.db2.gz JEKOPEMWMUSKPS-KRWDZBQOSA-N 1 2 351.362 2.985 20 5 FFBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[NH+]1CCC(c2ccccn2)CC1 ZINC000794637303 1010449964 /nfs/dbraw/zinc/44/99/64/1010449964.db2.gz UJDIZZLDLDAZOZ-UHFFFAOYSA-N 1 2 354.366 2.735 20 5 FFBDLO COC(=O)C1CCC(OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000777366284 1011225208 /nfs/dbraw/zinc/22/52/08/1011225208.db2.gz GXWOIUDOGLKDNQ-UHFFFAOYSA-N 1 2 373.365 2.669 20 5 FFBDLO COc1cccc([C@@H]2CN(C(=O)Cc3cccc([N+](=O)[O-])c3C)CC[NH2+]2)c1 ZINC000870151058 1012209221 /nfs/dbraw/zinc/20/92/21/1012209221.db2.gz SWAQNKXMYOBFJO-SFHVURJKSA-N 1 2 369.421 2.627 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCOC3(CCOCC3)C2)c1F ZINC001173197957 1012342209 /nfs/dbraw/zinc/34/22/09/1012342209.db2.gz XFFLQMOYGLYYDW-CYBMUJFWSA-N 1 2 368.405 2.555 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CCOC3(CCOCC3)C2)c1F ZINC001173197957 1012342224 /nfs/dbraw/zinc/34/22/24/1012342224.db2.gz XFFLQMOYGLYYDW-CYBMUJFWSA-N 1 2 368.405 2.555 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3CCCC[C@@H]3C3OCCO3)c2)c1 ZINC000777954762 1020325965 /nfs/dbraw/zinc/32/59/65/1020325965.db2.gz CYRJGDVIUREVBN-QGZVFWFLSA-N 1 2 358.398 2.643 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2cnn(C[N@H+]3CCCC[C@@H]3C3OCCO3)c2)c1 ZINC000777954762 1020325974 /nfs/dbraw/zinc/32/59/74/1020325974.db2.gz CYRJGDVIUREVBN-QGZVFWFLSA-N 1 2 358.398 2.643 20 5 FFBDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000800500667 1020361033 /nfs/dbraw/zinc/36/10/33/1020361033.db2.gz TYXWIMYSBQSQKU-HNAYVOBHSA-N 1 2 371.437 2.780 20 5 FFBDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000800500667 1020361049 /nfs/dbraw/zinc/36/10/49/1020361049.db2.gz TYXWIMYSBQSQKU-HNAYVOBHSA-N 1 2 371.437 2.780 20 5 FFBDLO CC(C)O[C@@]1(C[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000903358741 1020804520 /nfs/dbraw/zinc/80/45/20/1020804520.db2.gz YSGDMCHRDOOECV-PKOBYXMFSA-N 1 2 374.441 2.591 20 5 FFBDLO O=C1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCN1c1c(F)cccc1F ZINC000778098868 1020834759 /nfs/dbraw/zinc/83/47/59/1020834759.db2.gz ZOJMMDSMSRVBNU-HNNXBMFYSA-N 1 2 365.311 2.907 20 5 FFBDLO CN(C[C@](C)(O)C[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1)C(=O)OC(C)(C)C ZINC001118291566 1022164418 /nfs/dbraw/zinc/16/44/18/1022164418.db2.gz UCFZTBMETLPBNQ-SFHVURJKSA-N 1 2 365.430 2.528 20 5 FFBDLO CN(C[C@](C)(O)C[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1)C(=O)OC(C)(C)C ZINC001118291566 1022164422 /nfs/dbraw/zinc/16/44/22/1022164422.db2.gz UCFZTBMETLPBNQ-SFHVURJKSA-N 1 2 365.430 2.528 20 5 FFBDLO O=C(OCc1ccc(-n2cc[nH+]c2)cc1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000778897968 1022496486 /nfs/dbraw/zinc/49/64/86/1022496486.db2.gz DPNHKNWJSGFPNU-UHFFFAOYSA-N 1 2 367.317 2.866 20 5 FFBDLO C[C@H]1CN(c2ccccc2F)CC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000191620865 1023881827 /nfs/dbraw/zinc/88/18/27/1023881827.db2.gz ITIZMWRAIZWTMY-ZDUSSCGKSA-N 1 2 372.400 2.544 20 5 FFBDLO C[C@H]1CN(c2ccccc2F)CC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000191620865 1023881842 /nfs/dbraw/zinc/88/18/42/1023881842.db2.gz ITIZMWRAIZWTMY-ZDUSSCGKSA-N 1 2 372.400 2.544 20 5 FFBDLO CC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)cc1 ZINC001124193708 1024308199 /nfs/dbraw/zinc/30/81/99/1024308199.db2.gz CPRURAPIMZVLNG-UHFFFAOYSA-N 1 2 365.349 2.991 20 5 FFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000839034751 1026569749 /nfs/dbraw/zinc/56/97/49/1026569749.db2.gz BDJQABKNXYNWHO-ZDUSSCGKSA-N 1 2 357.370 2.781 20 5 FFBDLO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000796166307 1028636879 /nfs/dbraw/zinc/63/68/79/1028636879.db2.gz ZLCLCBROLARNLL-AWEZNQCLSA-N 1 2 366.374 2.604 20 5 FFBDLO CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000796166307 1028636886 /nfs/dbraw/zinc/63/68/86/1028636886.db2.gz ZLCLCBROLARNLL-AWEZNQCLSA-N 1 2 366.374 2.604 20 5 FFBDLO C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@H+](Cc2ccccc2)C1 ZINC001156331011 1029148935 /nfs/dbraw/zinc/14/89/35/1029148935.db2.gz MFWHUJFUWIVHAL-FQEVSTJZSA-N 1 2 369.421 2.942 20 5 FFBDLO C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@@H+](Cc2ccccc2)C1 ZINC001156331011 1029148944 /nfs/dbraw/zinc/14/89/44/1029148944.db2.gz MFWHUJFUWIVHAL-FQEVSTJZSA-N 1 2 369.421 2.942 20 5 FFBDLO Cc1ccc([C@@H]2CC[N@H+](CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C2)cc1 ZINC000784023695 1030423342 /nfs/dbraw/zinc/42/33/42/1030423342.db2.gz AVZAHZKUVVJZRU-OAHLLOKOSA-N 1 2 365.389 2.946 20 5 FFBDLO Cc1ccc([C@@H]2CC[N@@H+](CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C2)cc1 ZINC000784023695 1030423352 /nfs/dbraw/zinc/42/33/52/1030423352.db2.gz AVZAHZKUVVJZRU-OAHLLOKOSA-N 1 2 365.389 2.946 20 5 FFBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000842619009 1030832714 /nfs/dbraw/zinc/83/27/14/1030832714.db2.gz WUTNSCRAGRPYKA-AWEZNQCLSA-N 1 2 355.350 2.614 20 5 FFBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000842619009 1030832739 /nfs/dbraw/zinc/83/27/39/1030832739.db2.gz WUTNSCRAGRPYKA-AWEZNQCLSA-N 1 2 355.350 2.614 20 5 FFBDLO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cn1ncc3cc([N+](=O)[O-])ccc31)C[C@H](C)O2 ZINC000797414825 1031102723 /nfs/dbraw/zinc/10/27/23/1031102723.db2.gz BWQPVRGTDVUNFS-QWQRMKEZSA-N 1 2 360.414 2.560 20 5 FFBDLO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cn1ncc3cc([N+](=O)[O-])ccc31)C[C@H](C)O2 ZINC000797414825 1031102728 /nfs/dbraw/zinc/10/27/28/1031102728.db2.gz BWQPVRGTDVUNFS-QWQRMKEZSA-N 1 2 360.414 2.560 20 5 FFBDLO O=C(NCc1ccc(Nc2cc[nH+]cc2)cc1)c1ccc([N+](=O)[O-])cc1O ZINC001149347566 1031492616 /nfs/dbraw/zinc/49/26/16/1031492616.db2.gz VLTTZTIRZHQSOS-UHFFFAOYSA-N 1 2 364.361 2.791 20 5 FFBDLO Cc1[nH]c(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[nH+]c1C ZINC001149404243 1031505136 /nfs/dbraw/zinc/50/51/36/1031505136.db2.gz CDYUZJIJUUCYBP-UHFFFAOYSA-N 1 2 354.819 2.997 20 5 FFBDLO Cc1cc([N+](=O)[O-])cnc1O[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001226761151 1034824401 /nfs/dbraw/zinc/82/44/01/1034824401.db2.gz GDJIBVTZNOWOCZ-YJBOKZPZSA-N 1 2 357.410 2.967 20 5 FFBDLO Cc1cc([N+](=O)[O-])cnc1O[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001226761151 1034824413 /nfs/dbraw/zinc/82/44/13/1034824413.db2.gz GDJIBVTZNOWOCZ-YJBOKZPZSA-N 1 2 357.410 2.967 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCn2ncc(Cl)c21 ZINC001535841988 1069891699 /nfs/dbraw/zinc/89/16/99/1069891699.db2.gz YRSGVNCFFISZPC-UHFFFAOYSA-N 1 2 372.772 2.681 20 5 FFBDLO Cc1cnc(O[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC001227236011 1034980886 /nfs/dbraw/zinc/98/08/86/1034980886.db2.gz BEGRTOFDDXSIPR-CRAIPNDOSA-N 1 2 357.410 2.967 20 5 FFBDLO Cc1cnc(O[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC001227236011 1034980892 /nfs/dbraw/zinc/98/08/92/1034980892.db2.gz BEGRTOFDDXSIPR-CRAIPNDOSA-N 1 2 357.410 2.967 20 5 FFBDLO CSc1nc(O[C@H]2CCN3Cc4ccccc4[NH+]=C23)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227629303 1035646306 /nfs/dbraw/zinc/64/63/06/1035646306.db2.gz UTDRYKHBQKQIIV-NSHDSACASA-N 1 2 373.394 2.509 20 5 FFBDLO COc1ccc(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)cc1[N+](=O)[O-] ZINC001536343617 1069957025 /nfs/dbraw/zinc/95/70/25/1069957025.db2.gz RCBYPJPHXACFEU-MRXNPFEDSA-N 1 2 366.377 2.971 20 5 FFBDLO C[N@@H+]1[C@@H]2C[C@H](Oc3cc([N+](=O)[O-])c(Br)cc3F)[C@H]1CC(=O)C2 ZINC001228941092 1036421138 /nfs/dbraw/zinc/42/11/38/1036421138.db2.gz HVIVKXNUKDBLTD-DSBAHLMNSA-N 1 2 373.178 2.679 20 5 FFBDLO C[N@H+]1[C@@H]2C[C@H](Oc3cc([N+](=O)[O-])c(Br)cc3F)[C@H]1CC(=O)C2 ZINC001228941092 1036421142 /nfs/dbraw/zinc/42/11/42/1036421142.db2.gz HVIVKXNUKDBLTD-DSBAHLMNSA-N 1 2 373.178 2.679 20 5 FFBDLO C[NH+]1CCC(Oc2c(O)ccc3c(=O)c4c(O)cc(O)cc4oc32)CC1 ZINC001234752240 1037169104 /nfs/dbraw/zinc/16/91/04/1037169104.db2.gz FZJPMPNEXDEKKP-UHFFFAOYSA-N 1 2 357.362 2.536 20 5 FFBDLO C[C@H](CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1[N+](=O)[O-] ZINC001230553653 1037307049 /nfs/dbraw/zinc/30/70/49/1037307049.db2.gz JXZMMSPNLGMFCH-CABCVRRESA-N 1 2 369.425 2.671 20 5 FFBDLO Cc1nc(Nc2ccc(N)c([N+](=O)[O-])c2)cc(N2C[C@H](C)O[C@@H](C)C2)[nH+]1 ZINC001209933758 1039294566 /nfs/dbraw/zinc/29/45/66/1039294566.db2.gz CBBCVLUCBHCDLW-QWRGUYRKSA-N 1 2 358.402 2.633 20 5 FFBDLO Nc1ccc(Nc2cccc(OCC[NH+]3CCOCC3)c2)cc1[N+](=O)[O-] ZINC001209936884 1039297409 /nfs/dbraw/zinc/29/74/09/1039297409.db2.gz YBFHPARYNOZARE-UHFFFAOYSA-N 1 2 358.398 2.632 20 5 FFBDLO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)Nc2cc(C)[nH+]cc2C)c1 ZINC001537540574 1070204135 /nfs/dbraw/zinc/20/41/35/1070204135.db2.gz UEKYPZNXXHNDML-UHFFFAOYSA-N 1 2 365.393 2.834 20 5 FFBDLO Cc1c(Nc2ccc[nH+]c2N2CCOCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001211292709 1040065990 /nfs/dbraw/zinc/06/59/90/1040065990.db2.gz QWAYLVIMBUZCRY-UHFFFAOYSA-N 1 2 359.342 2.787 20 5 FFBDLO CCOC(=O)c1cnc2n1CC[N@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])[C@H]2C ZINC001254565936 1040802898 /nfs/dbraw/zinc/80/28/98/1040802898.db2.gz RCMWLXCITBSIKY-KGLIPLIRSA-N 1 2 372.425 2.976 20 5 FFBDLO CCOC(=O)c1cnc2n1CC[N@@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])[C@H]2C ZINC001254565936 1040802916 /nfs/dbraw/zinc/80/29/16/1040802916.db2.gz RCMWLXCITBSIKY-KGLIPLIRSA-N 1 2 372.425 2.976 20 5 FFBDLO COc1ccc(C[NH+]2CCN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)cc1 ZINC001254598021 1040828449 /nfs/dbraw/zinc/82/84/49/1040828449.db2.gz GNBMOTDYZIUYQE-HXUWFJFHSA-N 1 2 367.449 2.888 20 5 FFBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001262824099 1041878913 /nfs/dbraw/zinc/87/89/13/1041878913.db2.gz AGMSDABSGSJQRS-ZDUSSCGKSA-N 1 2 359.430 2.905 20 5 FFBDLO Cn1cnc2cc(NC(=O)c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)ccc21 ZINC001265522592 1042865005 /nfs/dbraw/zinc/86/50/05/1042865005.db2.gz XXCWYYOPZDGABR-UHFFFAOYSA-N 1 2 362.349 2.920 20 5 FFBDLO CN(CCCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1cccc[nH+]1 ZINC001302975649 1051244812 /nfs/dbraw/zinc/24/48/12/1051244812.db2.gz GQPCWYOMBKYZIW-UHFFFAOYSA-N 1 2 356.426 2.910 20 5 FFBDLO C[C@@H](NC(=O)N1CCC(c2c[nH+]cn2C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001341476882 1051833054 /nfs/dbraw/zinc/83/30/54/1051833054.db2.gz HZHNEKVPSHNSKR-CYBMUJFWSA-N 1 2 357.414 2.979 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCCC[C@@]12CCOC2 ZINC001339308294 1056315258 /nfs/dbraw/zinc/31/52/58/1056315258.db2.gz ILYZQLBKEGGMPL-SFHVURJKSA-N 1 2 356.382 2.566 20 5 FFBDLO O=C(COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1F ZINC000849195733 1056796503 /nfs/dbraw/zinc/79/65/03/1056796503.db2.gz ZIQUSTZWWYNNGW-UHFFFAOYSA-N 1 2 369.308 2.959 20 5 FFBDLO Cc1ccccc1C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001454407452 1059529746 /nfs/dbraw/zinc/52/97/46/1059529746.db2.gz ROIRJULKVTZSFI-UHFFFAOYSA-N 1 2 364.361 2.702 20 5 FFBDLO O=C(Nc1ccc(C2CC2)nn1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001456229157 1060058642 /nfs/dbraw/zinc/05/86/42/1060058642.db2.gz KOGLEBFCQGFZJV-UHFFFAOYSA-N 1 2 350.338 2.700 20 5 FFBDLO C[N@H+](CCOc1ccccc1)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O 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363.458 2.731 20 5 FFBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC001584190741 1079319259 /nfs/dbraw/zinc/31/92/59/1079319259.db2.gz NKGUZFKJDTVJKT-UONOGXRCSA-N 1 2 363.458 2.731 20 5 FFBDLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC001559045775 1076120856 /nfs/dbraw/zinc/12/08/56/1076120856.db2.gz WDELRLSAZLYHPT-GFCCVEGCSA-N 1 2 373.413 2.667 20 5 FFBDLO CC[C@H]1c2ccc(OC)c(OC)c2CC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC001559967472 1076208732 /nfs/dbraw/zinc/20/87/32/1076208732.db2.gz CTAHVJPVEBXRMO-HNNXBMFYSA-N 1 2 360.414 2.855 20 5 FFBDLO CC[C@H]1c2ccc(OC)c(OC)c2CC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC001559967472 1076208736 /nfs/dbraw/zinc/20/87/36/1076208736.db2.gz CTAHVJPVEBXRMO-HNNXBMFYSA-N 1 2 360.414 2.855 20 5 FFBDLO Cc1[nH]c(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[nH+]c1C ZINC001587805186 1079870042 /nfs/dbraw/zinc/87/00/42/1079870042.db2.gz NFEKJNCVBKJXTR-UHFFFAOYSA-N 1 2 352.778 2.673 20 5 FFBDLO CC1(C)C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@H]1c1ccncc1 ZINC001590104939 1081016231 /nfs/dbraw/zinc/01/62/31/1081016231.db2.gz ZOAKGEVFHADFCK-INIZCTEOSA-N 1 2 365.397 2.753 20 5 FFBDLO CC1(C)C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@H]1c1ccncc1 ZINC001590104939 1081016240 /nfs/dbraw/zinc/01/62/40/1081016240.db2.gz ZOAKGEVFHADFCK-INIZCTEOSA-N 1 2 365.397 2.753 20 5 FFBDLO Cc1ccc([C@H](CNC(=O)c2ccccc2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000023973557 249335240 /nfs/dbraw/zinc/33/52/40/249335240.db2.gz ZNZPJHJSRZZSHF-IBGZPJMESA-N 1 2 369.421 2.707 20 5 FFBDLO O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000054674988 249535854 /nfs/dbraw/zinc/53/58/54/249535854.db2.gz SESZFEXPUZEXBW-UHFFFAOYSA-N 1 2 366.381 2.630 20 5 FFBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)ccc1Br ZINC000093611699 250038127 /nfs/dbraw/zinc/03/81/27/250038127.db2.gz FAONQUYVRWZURM-NSHDSACASA-N 1 2 369.137 2.856 20 5 FFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)ccc1Br ZINC000093611699 250038132 /nfs/dbraw/zinc/03/81/32/250038132.db2.gz FAONQUYVRWZURM-NSHDSACASA-N 1 2 369.137 2.856 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000093906721 250050009 /nfs/dbraw/zinc/05/00/09/250050009.db2.gz BIPSFTCVHQMZDM-UHFFFAOYSA-N 1 2 368.437 2.873 20 5 FFBDLO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000103205381 250138075 /nfs/dbraw/zinc/13/80/75/250138075.db2.gz CZGZAVUYCPLYFG-INIZCTEOSA-N 1 2 369.421 2.595 20 5 FFBDLO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000103205381 250138080 /nfs/dbraw/zinc/13/80/80/250138080.db2.gz CZGZAVUYCPLYFG-INIZCTEOSA-N 1 2 369.421 2.595 20 5 FFBDLO Cc1nn(C)c(C)c1CN1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000106142270 250243009 /nfs/dbraw/zinc/24/30/09/250243009.db2.gz MMZIBDRLERMFQR-UHFFFAOYSA-N 1 2 357.458 2.571 20 5 FFBDLO CC(C)[N@@H+]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)sc2C1 ZINC000273106740 252218113 /nfs/dbraw/zinc/21/81/13/252218113.db2.gz MQVLYVYIVZRGLS-UHFFFAOYSA-N 1 2 362.411 2.776 20 5 FFBDLO CC(C)[N@H+]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)sc2C1 ZINC000273106740 252218116 /nfs/dbraw/zinc/21/81/16/252218116.db2.gz MQVLYVYIVZRGLS-UHFFFAOYSA-N 1 2 362.411 2.776 20 5 FFBDLO Cc1nnc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000273539326 252326458 /nfs/dbraw/zinc/32/64/58/252326458.db2.gz AHMXQFHOJQNOQG-ZETCQYMHSA-N 1 2 355.807 2.697 20 5 FFBDLO Cc1ccc(NC(=O)N[C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)cc1[N+](=O)[O-] ZINC000275283968 255981042 /nfs/dbraw/zinc/98/10/42/255981042.db2.gz LDOKILJVSBJCEJ-XJKSGUPXSA-N 1 2 359.386 2.679 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000277656513 256222947 /nfs/dbraw/zinc/22/29/47/256222947.db2.gz VUKLGLCMRZYNDX-UHFFFAOYSA-N 1 2 371.393 2.688 20 5 FFBDLO COCOc1ccc(OC)cc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278714662 256340545 /nfs/dbraw/zinc/34/05/45/256340545.db2.gz PAABGCLLOFTXOI-UHFFFAOYSA-N 1 2 372.381 2.752 20 5 FFBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000281824876 256668104 /nfs/dbraw/zinc/66/81/04/256668104.db2.gz ONCWBHUHYNXBGP-MRXNPFEDSA-N 1 2 358.398 2.944 20 5 FFBDLO CCC(=O)c1ccc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000283541647 256884411 /nfs/dbraw/zinc/88/44/11/256884411.db2.gz OMPDFHWIQFGZCE-HNNXBMFYSA-N 1 2 361.442 2.736 20 5 FFBDLO COc1cc(C[N@@H+]2CC[C@H](OCc3ccncc3)C2)c([N+](=O)[O-])cc1F ZINC000287702270 257103647 /nfs/dbraw/zinc/10/36/47/257103647.db2.gz JGQWOLLCTOLYEW-HNNXBMFYSA-N 1 2 361.373 2.929 20 5 FFBDLO COc1cc(C[N@H+]2CC[C@H](OCc3ccncc3)C2)c([N+](=O)[O-])cc1F ZINC000287702270 257103648 /nfs/dbraw/zinc/10/36/48/257103648.db2.gz JGQWOLLCTOLYEW-HNNXBMFYSA-N 1 2 361.373 2.929 20 5 FFBDLO O=C(C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000289472895 257283332 /nfs/dbraw/zinc/28/33/32/257283332.db2.gz HPGWFOLKFHTBCQ-IEBWSBKVSA-N 1 2 371.437 2.517 20 5 FFBDLO O=C(C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000289472895 257283333 /nfs/dbraw/zinc/28/33/33/257283333.db2.gz HPGWFOLKFHTBCQ-IEBWSBKVSA-N 1 2 371.437 2.517 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289943600 257307801 /nfs/dbraw/zinc/30/78/01/257307801.db2.gz PSNLKGRIIAETDU-XHDPSFHLSA-N 1 2 363.805 2.719 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289943600 257307802 /nfs/dbraw/zinc/30/78/02/257307802.db2.gz PSNLKGRIIAETDU-XHDPSFHLSA-N 1 2 363.805 2.719 20 5 FFBDLO CC1(C)CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H]1[C@H]1CCCO1 ZINC000291210198 257391628 /nfs/dbraw/zinc/39/16/28/257391628.db2.gz LZGBPSOLIRXOIS-IAGOWNOFSA-N 1 2 370.409 2.810 20 5 FFBDLO O=[N+]([O-])c1cccc(S(=O)(=O)NCCNc2ccc3ccccc3[nH+]2)c1 ZINC000301130757 258028164 /nfs/dbraw/zinc/02/81/64/258028164.db2.gz UKBGDKZLOMZNFQ-UHFFFAOYSA-N 1 2 372.406 2.533 20 5 FFBDLO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1OC ZINC000299562398 258005728 /nfs/dbraw/zinc/00/57/28/258005728.db2.gz SKUYDSAYXUOHDF-UHFFFAOYSA-N 1 2 374.397 2.745 20 5 FFBDLO C[C@H]1C[NH+]=C(N2CCN(c3ccc([N+](=O)[O-])cc3OC(F)F)CC2)S1 ZINC000302040019 258084097 /nfs/dbraw/zinc/08/40/97/258084097.db2.gz HMUVJRUPWAMYPQ-JTQLQIEISA-N 1 2 372.397 2.810 20 5 FFBDLO C[C@@H]1C[NH+]=C(N2CCN(c3ccc([N+](=O)[O-])cc3OC(F)F)CC2)S1 ZINC000302040021 258084125 /nfs/dbraw/zinc/08/41/25/258084125.db2.gz HMUVJRUPWAMYPQ-SNVBAGLBSA-N 1 2 372.397 2.810 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000302082849 258087073 /nfs/dbraw/zinc/08/70/73/258087073.db2.gz JTQCZNCFJBBTKE-UHFFFAOYSA-N 1 2 356.382 2.857 20 5 FFBDLO C[C@H](C[NH+]1CCCCCC1)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000302442621 258102094 /nfs/dbraw/zinc/10/20/94/258102094.db2.gz RONCDNLOXBANOU-LLVKDONJSA-N 1 2 361.489 2.736 20 5 FFBDLO C[C@@H]1C[N@@H+](C[C@H]2CCCN2c2ncc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000302502777 258104117 /nfs/dbraw/zinc/10/41/17/258104117.db2.gz LZXKVBNGZKPUCB-FRRDWIJNSA-N 1 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COc1cc(N2CCN(C3=[NH+]CC(C)(C)S3)CC2)c(F)cc1[N+](=O)[O-] ZINC000301934651 258076050 /nfs/dbraw/zinc/07/60/50/258076050.db2.gz RBJZNVPHEQSQAS-UHFFFAOYSA-N 1 2 368.434 2.746 20 5 FFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000332678602 258240033 /nfs/dbraw/zinc/24/00/33/258240033.db2.gz TYFNWPSSHHPLPK-GFCCVEGCSA-N 1 2 357.414 2.537 20 5 FFBDLO O=C1[C@H]([N@H+]2CC=C(C(F)(F)F)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000331641779 258194664 /nfs/dbraw/zinc/19/46/64/258194664.db2.gz JPAPAIUNNOVBFN-CQSZACIVSA-N 1 2 355.316 2.895 20 5 FFBDLO O=C1[C@H]([N@@H+]2CC=C(C(F)(F)F)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000331641779 258194665 /nfs/dbraw/zinc/19/46/65/258194665.db2.gz JPAPAIUNNOVBFN-CQSZACIVSA-N 1 2 355.316 2.895 20 5 FFBDLO Cc1cc(N2CC[S@](=O)CC[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000373030009 512139837 /nfs/dbraw/zinc/13/98/37/512139837.db2.gz OHYIPGUSHSXKGN-ZJWNCGCPSA-N 1 2 360.439 2.708 20 5 FFBDLO Cc1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000032248687 506236094 /nfs/dbraw/zinc/23/60/94/506236094.db2.gz BINSKYTUMWREOG-SFHVURJKSA-N 1 2 369.421 2.534 20 5 FFBDLO Cc1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000032248687 506236100 /nfs/dbraw/zinc/23/61/00/506236100.db2.gz BINSKYTUMWREOG-SFHVURJKSA-N 1 2 369.421 2.534 20 5 FFBDLO Cc1noc([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000052862473 506267799 /nfs/dbraw/zinc/26/77/99/506267799.db2.gz DMNOLEXFZFXMAQ-OCCSQVGLSA-N 1 2 373.413 2.801 20 5 FFBDLO Cc1noc([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000052862473 506267804 /nfs/dbraw/zinc/26/78/04/506267804.db2.gz DMNOLEXFZFXMAQ-OCCSQVGLSA-N 1 2 373.413 2.801 20 5 FFBDLO O=C(Nc1ccc2oc(=O)[nH]c2c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032637720 506273448 /nfs/dbraw/zinc/27/34/48/506273448.db2.gz VFZOTVBVGJIGNW-UHFFFAOYSA-N 1 2 365.305 2.880 20 5 FFBDLO Nc1c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc(F)cc1[N+](=O)[O-] ZINC000065729630 506351909 /nfs/dbraw/zinc/35/19/09/506351909.db2.gz LQIVRYYDKYZPNC-UHFFFAOYSA-N 1 2 359.292 2.893 20 5 FFBDLO COCC[N@H+](Cc1cc(Br)c([N+](=O)[O-])s1)[C@@H]1CCOC1 ZINC000602642409 521453534 /nfs/dbraw/zinc/45/35/34/521453534.db2.gz XFCYKKZMJXLNST-SECBINFHSA-N 1 2 365.249 2.656 20 5 FFBDLO COCC[N@@H+](Cc1cc(Br)c([N+](=O)[O-])s1)[C@@H]1CCOC1 ZINC000602642409 521453545 /nfs/dbraw/zinc/45/35/45/521453545.db2.gz XFCYKKZMJXLNST-SECBINFHSA-N 1 2 365.249 2.656 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(Cc1ccccn1)C1CC1 ZINC000053718998 506435897 /nfs/dbraw/zinc/43/58/97/506435897.db2.gz RHXZUMUXQHYQEQ-UHFFFAOYSA-N 1 2 363.377 2.980 20 5 FFBDLO CC(C)(C)c1ccc(C(=O)NCC(C)(C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000054456004 506563663 /nfs/dbraw/zinc/56/36/63/506563663.db2.gz WQHCAIJDQJNOIC-UHFFFAOYSA-N 1 2 363.458 2.733 20 5 FFBDLO O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1 ZINC000054674907 506601390 /nfs/dbraw/zinc/60/13/90/506601390.db2.gz SBTYKIKSXDUFGY-UHFFFAOYSA-N 1 2 366.381 2.630 20 5 FFBDLO Cc1noc(C2CC[NH+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CC2)n1 ZINC000054677978 506602283 /nfs/dbraw/zinc/60/22/83/506602283.db2.gz HJFXXTWWIPTNKM-UHFFFAOYSA-N 1 2 370.369 2.716 20 5 FFBDLO COc1ccc(C[N@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1OC ZINC000007973606 506608364 /nfs/dbraw/zinc/60/83/64/506608364.db2.gz CKVYMOOGCIKTNF-UHFFFAOYSA-N 1 2 373.409 2.991 20 5 FFBDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1OC ZINC000007973606 506608373 /nfs/dbraw/zinc/60/83/73/506608373.db2.gz CKVYMOOGCIKTNF-UHFFFAOYSA-N 1 2 373.409 2.991 20 5 FFBDLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000007974443 506609125 /nfs/dbraw/zinc/60/91/25/506609125.db2.gz DFYDJUYQOJWSHX-UHFFFAOYSA-N 1 2 359.382 2.683 20 5 FFBDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000007974443 506609128 /nfs/dbraw/zinc/60/91/28/506609128.db2.gz DFYDJUYQOJWSHX-UHFFFAOYSA-N 1 2 359.382 2.683 20 5 FFBDLO CCOc1cc(C(=O)NCc2cn3ccccc3[nH+]2)c([N+](=O)[O-])cc1OC ZINC000008279280 506638278 /nfs/dbraw/zinc/63/82/78/506638278.db2.gz KLNSYPZJPPCFDJ-UHFFFAOYSA-N 1 2 370.365 2.580 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000043121991 506703179 /nfs/dbraw/zinc/70/31/79/506703179.db2.gz NAHXMBPHZWHPAG-UHFFFAOYSA-N 1 2 371.397 2.920 20 5 FFBDLO O=C1[C@H]([NH+]2CCN(c3ccccc3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000067374468 506850958 /nfs/dbraw/zinc/85/09/58/506850958.db2.gz AUAGYEBEZGROFK-LJQANCHMSA-N 1 2 366.421 2.522 20 5 FFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000016420203 507088800 /nfs/dbraw/zinc/08/88/00/507088800.db2.gz WPMQENNTSVXRTK-ZDUSSCGKSA-N 1 2 371.393 2.998 20 5 FFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000016420203 507088804 /nfs/dbraw/zinc/08/88/04/507088804.db2.gz WPMQENNTSVXRTK-ZDUSSCGKSA-N 1 2 371.393 2.998 20 5 FFBDLO CN(C)c1ccc(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c[nH+]1 ZINC000046386649 507127765 /nfs/dbraw/zinc/12/77/65/507127765.db2.gz NDELDGIBMLMCBZ-UHFFFAOYSA-N 1 2 355.398 2.560 20 5 FFBDLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000371308870 512320327 /nfs/dbraw/zinc/32/03/27/512320327.db2.gz SUKQXHKWSDZZMV-NSHDSACASA-N 1 2 369.406 2.729 20 5 FFBDLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000371308870 512320332 /nfs/dbraw/zinc/32/03/32/512320332.db2.gz SUKQXHKWSDZZMV-NSHDSACASA-N 1 2 369.406 2.729 20 5 FFBDLO Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)cc1[N+](=O)[O-] ZINC000057054109 507162064 /nfs/dbraw/zinc/16/20/64/507162064.db2.gz XWAZKEKJMNDIET-UHFFFAOYSA-N 1 2 368.437 2.903 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000020173150 507215910 /nfs/dbraw/zinc/21/59/10/507215910.db2.gz HUYYLCMLLRNECU-AWEZNQCLSA-N 1 2 372.400 2.883 20 5 FFBDLO Cc1ccc(C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)cc1[N+](=O)[O-] ZINC000057756753 507322562 /nfs/dbraw/zinc/32/25/62/507322562.db2.gz ANHUSFNGRJNARJ-UHFFFAOYSA-N 1 2 356.304 2.934 20 5 FFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000024249513 507400184 /nfs/dbraw/zinc/40/01/84/507400184.db2.gz WBZHNSATPCNJDX-INIZCTEOSA-N 1 2 368.437 2.912 20 5 FFBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000047931551 507416034 /nfs/dbraw/zinc/41/60/34/507416034.db2.gz AXWJEHMFSCDLMM-GJZGRUSLSA-N 1 2 371.441 2.846 20 5 FFBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1[nH+]ccn1Cc1ccccc1 ZINC000058670124 507451216 /nfs/dbraw/zinc/45/12/16/507451216.db2.gz BAIXLAQKYBEQPW-UHFFFAOYSA-N 1 2 362.345 2.636 20 5 FFBDLO Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000060059435 507510220 /nfs/dbraw/zinc/51/02/20/507510220.db2.gz GLCAILHNLMZWKF-UHFFFAOYSA-N 1 2 355.394 2.988 20 5 FFBDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)cc1 ZINC000027236329 507642262 /nfs/dbraw/zinc/64/22/62/507642262.db2.gz ATJXHDZHROJWGE-UHFFFAOYSA-N 1 2 359.382 2.545 20 5 FFBDLO O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000028649652 507732796 /nfs/dbraw/zinc/73/27/96/507732796.db2.gz ZFGKJAQISQNKSK-UHFFFAOYSA-N 1 2 350.378 2.699 20 5 FFBDLO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000029924173 507796019 /nfs/dbraw/zinc/79/60/19/507796019.db2.gz AOVCTHXQCMXCNE-UHFFFAOYSA-N 1 2 355.394 2.826 20 5 FFBDLO CNc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000030029551 507801094 /nfs/dbraw/zinc/80/10/94/507801094.db2.gz KZGNEMIRUILCPM-SFHVURJKSA-N 1 2 354.410 2.765 20 5 FFBDLO CNc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000030029551 507801097 /nfs/dbraw/zinc/80/10/97/507801097.db2.gz KZGNEMIRUILCPM-SFHVURJKSA-N 1 2 354.410 2.765 20 5 FFBDLO CNS(=O)(=O)c1ccc(Nc2ccc([NH+](C)C)cc2C)c([N+](=O)[O-])c1 ZINC000052242469 507803726 /nfs/dbraw/zinc/80/37/26/507803726.db2.gz KSWIRTWZYQQUMY-UHFFFAOYSA-N 1 2 364.427 2.621 20 5 FFBDLO Cc1c(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000030539064 507810375 /nfs/dbraw/zinc/81/03/75/507810375.db2.gz STLDMHWWBIVMRC-SFHVURJKSA-N 1 2 369.421 2.707 20 5 FFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000072558999 507823878 /nfs/dbraw/zinc/82/38/78/507823878.db2.gz IJYVOOZDWIRYNA-MRXNPFEDSA-N 1 2 368.437 2.912 20 5 FFBDLO Cc1cccn2cc(CC(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc43)[nH+]c12 ZINC000089420646 507837112 /nfs/dbraw/zinc/83/71/12/507837112.db2.gz ZTALRVYLPZDQNL-UHFFFAOYSA-N 1 2 350.338 2.608 20 5 FFBDLO COc1ccc2c(c1)C[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC2 ZINC000108977013 507929431 /nfs/dbraw/zinc/92/94/31/507929431.db2.gz YYBSUZKURJRSGT-UHFFFAOYSA-N 1 2 355.394 2.909 20 5 FFBDLO COc1ccc2c(c1)C[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC2 ZINC000108977013 507929432 /nfs/dbraw/zinc/92/94/32/507929432.db2.gz YYBSUZKURJRSGT-UHFFFAOYSA-N 1 2 355.394 2.909 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000109783593 507986160 /nfs/dbraw/zinc/98/61/60/507986160.db2.gz KTGBJVOTPYMOFZ-LBPRGKRZSA-N 1 2 359.382 2.941 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000109783593 507986162 /nfs/dbraw/zinc/98/61/62/507986162.db2.gz KTGBJVOTPYMOFZ-LBPRGKRZSA-N 1 2 359.382 2.941 20 5 FFBDLO C[C@@H](CNC(=O)c1cc2ccccc2c2cccnc12)[NH+]1CCN(C)CC1 ZINC000074140294 507991970 /nfs/dbraw/zinc/99/19/70/507991970.db2.gz DGCJEZNGPBXKFT-INIZCTEOSA-N 1 2 362.477 2.754 20 5 FFBDLO Cc1cc(N(C)C[C@H](O)C(F)(F)F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000091629465 507998605 /nfs/dbraw/zinc/99/86/05/507998605.db2.gz PZXJBPNKSJGPHF-LBPRGKRZSA-N 1 2 356.304 2.720 20 5 FFBDLO Cc1ccn2cc(CNc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])[nH+]c2c1 ZINC000079860815 508008517 /nfs/dbraw/zinc/00/85/17/508008517.db2.gz CWXFJHZAYUZSRU-UHFFFAOYSA-N 1 2 360.395 2.567 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCC([C@H](C)O)CC1 ZINC000111285016 508085907 /nfs/dbraw/zinc/08/59/07/508085907.db2.gz NEXHSEZGMPTTQE-MNOVXSKESA-N 1 2 355.822 2.668 20 5 FFBDLO Cn1cc[nH+]c1-c1cccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c1 ZINC000075686518 508129010 /nfs/dbraw/zinc/12/90/10/508129010.db2.gz ZXROMMKTCGMFLS-UHFFFAOYSA-N 1 2 355.329 2.969 20 5 FFBDLO COC[C@H]1C[N@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CCO1 ZINC000093528857 508147422 /nfs/dbraw/zinc/14/74/22/508147422.db2.gz CPBMEOABFQLDQN-OAHLLOKOSA-N 1 2 362.382 2.711 20 5 FFBDLO COC[C@H]1C[N@@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CCO1 ZINC000093528857 508147423 /nfs/dbraw/zinc/14/74/23/508147423.db2.gz CPBMEOABFQLDQN-OAHLLOKOSA-N 1 2 362.382 2.711 20 5 FFBDLO Cc1c(NC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)cccc1[N+](=O)[O-] ZINC000075986975 508149534 /nfs/dbraw/zinc/14/95/34/508149534.db2.gz CRKSBDLRRHEKMI-UHFFFAOYSA-N 1 2 352.354 2.806 20 5 FFBDLO CCc1nn(C)c(N2CC[NH+](Cc3ccc(Cl)s3)CC2)c1[N+](=O)[O-] ZINC000094132036 508170245 /nfs/dbraw/zinc/17/02/45/508170245.db2.gz FLOZVWKVQLTKSU-UHFFFAOYSA-N 1 2 369.878 2.928 20 5 FFBDLO O=C(Nc1nccs1)[C@@H]1CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000114471613 508319925 /nfs/dbraw/zinc/31/99/25/508319925.db2.gz JPSOGVQABGIDQV-AWEZNQCLSA-N 1 2 362.411 2.533 20 5 FFBDLO O=C(Nc1nccs1)[C@@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000114471613 508319928 /nfs/dbraw/zinc/31/99/28/508319928.db2.gz JPSOGVQABGIDQV-AWEZNQCLSA-N 1 2 362.411 2.533 20 5 FFBDLO Cc1cc(C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)cc([N+](=O)[O-])c1 ZINC000114704669 508339094 /nfs/dbraw/zinc/33/90/94/508339094.db2.gz YEWCWTQNEXKLIN-HNNXBMFYSA-N 1 2 354.410 2.817 20 5 FFBDLO CCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000104668383 508340992 /nfs/dbraw/zinc/34/09/92/508340992.db2.gz VUSMVOSQJPILEX-MRXNPFEDSA-N 1 2 370.471 2.781 20 5 FFBDLO CCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000104668383 508340994 /nfs/dbraw/zinc/34/09/94/508340994.db2.gz VUSMVOSQJPILEX-MRXNPFEDSA-N 1 2 370.471 2.781 20 5 FFBDLO C[C@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607011 508379040 /nfs/dbraw/zinc/37/90/40/508379040.db2.gz PRZZEDXRZOPBLU-CYBMUJFWSA-N 1 2 357.385 2.797 20 5 FFBDLO C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607011 508379043 /nfs/dbraw/zinc/37/90/43/508379043.db2.gz PRZZEDXRZOPBLU-CYBMUJFWSA-N 1 2 357.385 2.797 20 5 FFBDLO C[C@@H](C(=O)NCCc1cccs1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607407 508379172 /nfs/dbraw/zinc/37/91/72/508379172.db2.gz RCCJCSPCUCUMDE-ZDUSSCGKSA-N 1 2 359.451 2.762 20 5 FFBDLO C[C@@H](C(=O)NCCc1cccs1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607407 508379174 /nfs/dbraw/zinc/37/91/74/508379174.db2.gz RCCJCSPCUCUMDE-ZDUSSCGKSA-N 1 2 359.451 2.762 20 5 FFBDLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000116643374 508541906 /nfs/dbraw/zinc/54/19/06/508541906.db2.gz UHWCFTXVRRPYPE-UHFFFAOYSA-N 1 2 359.357 2.818 20 5 FFBDLO O=C(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000153210509 508559784 /nfs/dbraw/zinc/55/97/84/508559784.db2.gz DPNZDPWUDHVGAR-CYBMUJFWSA-N 1 2 371.359 2.754 20 5 FFBDLO O=C(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000153210509 508559789 /nfs/dbraw/zinc/55/97/89/508559789.db2.gz DPNZDPWUDHVGAR-CYBMUJFWSA-N 1 2 371.359 2.754 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3nc(C4CCCC4)no3)C2)nc1 ZINC000157466272 508569970 /nfs/dbraw/zinc/56/99/70/508569970.db2.gz VJVLXFCOPMXJJB-CYBMUJFWSA-N 1 2 358.402 2.717 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3nc(C4CCCC4)no3)C2)nc1 ZINC000157466272 508569975 /nfs/dbraw/zinc/56/99/75/508569975.db2.gz VJVLXFCOPMXJJB-CYBMUJFWSA-N 1 2 358.402 2.717 20 5 FFBDLO COc1cc(CN(C)Cc2[nH+]ccn2C)c([N+](=O)[O-])cc1OC(F)F ZINC000153360873 508575182 /nfs/dbraw/zinc/57/51/82/508575182.db2.gz ORMSZITWUBACAF-UHFFFAOYSA-N 1 2 356.329 2.570 20 5 FFBDLO COc1ccccc1N1CC[C@H]([N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1=O ZINC000153382526 508577569 /nfs/dbraw/zinc/57/75/69/508577569.db2.gz NTQWQZSDOIJVLZ-SFHVURJKSA-N 1 2 367.405 2.767 20 5 FFBDLO COc1ccccc1N1CC[C@H]([N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1=O ZINC000153382526 508577573 /nfs/dbraw/zinc/57/75/73/508577573.db2.gz NTQWQZSDOIJVLZ-SFHVURJKSA-N 1 2 367.405 2.767 20 5 FFBDLO O=C(C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)NC(=O)Nc1ccccc1 ZINC000135221134 508591505 /nfs/dbraw/zinc/59/15/05/508591505.db2.gz KMSCDUDPQHKNKD-UHFFFAOYSA-N 1 2 368.393 2.908 20 5 FFBDLO O=C(C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)NC(=O)Nc1ccccc1 ZINC000135221134 508591507 /nfs/dbraw/zinc/59/15/07/508591507.db2.gz KMSCDUDPQHKNKD-UHFFFAOYSA-N 1 2 368.393 2.908 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000135606869 508631369 /nfs/dbraw/zinc/63/13/69/508631369.db2.gz WEUIMXUJOYKWEN-CQSZACIVSA-N 1 2 357.414 2.585 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000135606869 508631374 /nfs/dbraw/zinc/63/13/74/508631374.db2.gz WEUIMXUJOYKWEN-CQSZACIVSA-N 1 2 357.414 2.585 20 5 FFBDLO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000124530579 508847226 /nfs/dbraw/zinc/84/72/26/508847226.db2.gz AXMLTWOLMSCAAS-INIZCTEOSA-N 1 2 355.394 2.867 20 5 FFBDLO COc1cc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])cc1OC ZINC000125345483 508969651 /nfs/dbraw/zinc/96/96/51/508969651.db2.gz JRILVKXZSJCUKH-WFASDCNBSA-N 1 2 374.397 2.532 20 5 FFBDLO COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000125786925 509029893 /nfs/dbraw/zinc/02/98/93/509029893.db2.gz FGKRBVJNUQBKAN-BBRMVZONSA-N 1 2 360.366 2.617 20 5 FFBDLO COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000125786925 509029899 /nfs/dbraw/zinc/02/98/99/509029899.db2.gz FGKRBVJNUQBKAN-BBRMVZONSA-N 1 2 360.366 2.617 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000126046885 509058128 /nfs/dbraw/zinc/05/81/28/509058128.db2.gz YRVHGGNWXLEPDU-AWEZNQCLSA-N 1 2 364.427 2.851 20 5 FFBDLO COCCCN(CCOC)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000126919511 509147621 /nfs/dbraw/zinc/14/76/21/509147621.db2.gz MDBIIFPUXVGFIE-UHFFFAOYSA-N 1 2 360.414 2.850 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1C ZINC000121398588 509171928 /nfs/dbraw/zinc/17/19/28/509171928.db2.gz TZMYHELCZWPUFW-AWEZNQCLSA-N 1 2 364.427 2.851 20 5 FFBDLO C[C@@]1(c2ccccc2)C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000121442241 509174197 /nfs/dbraw/zinc/17/41/97/509174197.db2.gz BOHMKCDIHHPFNX-ICSRJNTNSA-N 1 2 372.421 2.582 20 5 FFBDLO C[C@@]1(c2ccccc2)C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000121442241 509174198 /nfs/dbraw/zinc/17/41/98/509174198.db2.gz BOHMKCDIHHPFNX-ICSRJNTNSA-N 1 2 372.421 2.582 20 5 FFBDLO O=C(C[NH+]1CCC(O)(c2ccccc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000185493504 509205618 /nfs/dbraw/zinc/20/56/18/509205618.db2.gz BSGXBULGFYBMDL-UHFFFAOYSA-N 1 2 355.394 2.517 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCOC[C@H]1c1cccn1C ZINC000162440289 509224121 /nfs/dbraw/zinc/22/41/21/509224121.db2.gz NDAGJAYKVWBNTI-SFHVURJKSA-N 1 2 372.425 2.644 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOC[C@H]1c1cccn1C ZINC000162440289 509224125 /nfs/dbraw/zinc/22/41/25/509224125.db2.gz NDAGJAYKVWBNTI-SFHVURJKSA-N 1 2 372.425 2.644 20 5 FFBDLO COc1ccc(F)cc1C[NH+]1CCN(c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000172807383 509249885 /nfs/dbraw/zinc/24/98/85/509249885.db2.gz HMFYGCHJMPZUAL-UHFFFAOYSA-N 1 2 360.389 2.768 20 5 FFBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000172932158 509313236 /nfs/dbraw/zinc/31/32/36/509313236.db2.gz ATADOFZYQVZVTC-WEVVVXLNSA-N 1 2 365.433 2.995 20 5 FFBDLO Cc1ccc2[nH+]cc(CN3CCN(c4ccccc4[N+](=O)[O-])CC3)n2c1 ZINC000179590540 509525718 /nfs/dbraw/zinc/52/57/18/509525718.db2.gz OCEPVHYRGVQHDZ-UHFFFAOYSA-N 1 2 351.410 2.873 20 5 FFBDLO Cc1ccc2ncc(C[NH+]3CCN(c4ccccc4[N+](=O)[O-])CC3)n2c1 ZINC000179590540 509525721 /nfs/dbraw/zinc/52/57/21/509525721.db2.gz OCEPVHYRGVQHDZ-UHFFFAOYSA-N 1 2 351.410 2.873 20 5 FFBDLO COc1ccc(S(=O)(=O)Nc2cc[nH+]c(C)c2Cl)c([N+](=O)[O-])c1 ZINC000165271179 509564863 /nfs/dbraw/zinc/56/48/63/509564863.db2.gz CNXCTKOKWVCMPC-UHFFFAOYSA-N 1 2 357.775 2.761 20 5 FFBDLO C[C@@H](C(=O)NC(=O)Nc1ccccc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192714354 509609922 /nfs/dbraw/zinc/60/99/22/509609922.db2.gz MVRGUOTZFVSNGZ-ZDUSSCGKSA-N 1 2 356.382 2.763 20 5 FFBDLO C[C@@H](C(=O)NC(=O)Nc1ccccc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192714354 509609930 /nfs/dbraw/zinc/60/99/30/509609930.db2.gz MVRGUOTZFVSNGZ-ZDUSSCGKSA-N 1 2 356.382 2.763 20 5 FFBDLO COc1cc(N2CC[NH+](Cc3c(C)noc3C)CC2)c([N+](=O)[O-])cc1F ZINC000268134131 509775235 /nfs/dbraw/zinc/77/52/35/509775235.db2.gz GFGWTDQSXGXUNJ-UHFFFAOYSA-N 1 2 364.377 2.670 20 5 FFBDLO COc1ccc(F)cc1C[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000173912840 509850340 /nfs/dbraw/zinc/85/03/40/509850340.db2.gz KNVPZPNKFQFVMI-UHFFFAOYSA-N 1 2 360.389 2.768 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000177185216 509924725 /nfs/dbraw/zinc/92/47/25/509924725.db2.gz HPQFRXRYJXSPRF-HOCLYGCPSA-N 1 2 365.455 2.902 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CCS[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000177185216 509924731 /nfs/dbraw/zinc/92/47/31/509924731.db2.gz HPQFRXRYJXSPRF-HOCLYGCPSA-N 1 2 365.455 2.902 20 5 FFBDLO Cc1ccc(C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000265244154 509943300 /nfs/dbraw/zinc/94/33/00/509943300.db2.gz JDCWTYCYNYJTIF-OAHLLOKOSA-N 1 2 354.410 2.817 20 5 FFBDLO C[NH+]1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 ZINC000193885694 510113805 /nfs/dbraw/zinc/11/38/05/510113805.db2.gz JFCWYDNPNUDDHT-UHFFFAOYSA-N 1 2 355.394 2.561 20 5 FFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000171394446 510130434 /nfs/dbraw/zinc/13/04/34/510130434.db2.gz JVNGGOXHJZIQEC-MRXNPFEDSA-N 1 2 374.485 2.722 20 5 FFBDLO COc1cc(C[NH+]2CCN(c3ccccc3O)CC2)c([N+](=O)[O-])cc1F ZINC000184239294 510211906 /nfs/dbraw/zinc/21/19/06/510211906.db2.gz MWJCSTYAEQTTBS-UHFFFAOYSA-N 1 2 361.373 2.770 20 5 FFBDLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000171656007 510286332 /nfs/dbraw/zinc/28/63/32/510286332.db2.gz HKPLVJUPRVWFDM-NSHDSACASA-N 1 2 365.821 2.831 20 5 FFBDLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000171656007 510286342 /nfs/dbraw/zinc/28/63/42/510286342.db2.gz HKPLVJUPRVWFDM-NSHDSACASA-N 1 2 365.821 2.831 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)c1 ZINC000269472601 510424006 /nfs/dbraw/zinc/42/40/06/510424006.db2.gz PCLRFCKKFXMTRX-UHFFFAOYSA-N 1 2 356.382 2.696 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246328462 510430394 /nfs/dbraw/zinc/43/03/94/510430394.db2.gz DLIYXHHXNCPSQT-MAUKXSAKSA-N 1 2 363.458 2.535 20 5 FFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)c2c(c1)COCO2 ZINC000181560232 510473263 /nfs/dbraw/zinc/47/32/63/510473263.db2.gz ACBLNDBRQFCPHW-IBGZPJMESA-N 1 2 370.405 2.905 20 5 FFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)c2c(c1)COCO2 ZINC000181560232 510473270 /nfs/dbraw/zinc/47/32/70/510473270.db2.gz ACBLNDBRQFCPHW-IBGZPJMESA-N 1 2 370.405 2.905 20 5 FFBDLO C[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H](c2ccsc2)O1 ZINC000246496732 510521137 /nfs/dbraw/zinc/52/11/37/510521137.db2.gz NWXHRYMNOPQVEH-ZBEGNZNMSA-N 1 2 361.423 2.717 20 5 FFBDLO C[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H](c2ccsc2)O1 ZINC000246496732 510521149 /nfs/dbraw/zinc/52/11/49/510521149.db2.gz NWXHRYMNOPQVEH-ZBEGNZNMSA-N 1 2 361.423 2.717 20 5 FFBDLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181706132 510548541 /nfs/dbraw/zinc/54/85/41/510548541.db2.gz SFHHTJYBULVXGK-OXFYSEKESA-N 1 2 372.421 2.797 20 5 FFBDLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181706132 510548551 /nfs/dbraw/zinc/54/85/51/510548551.db2.gz SFHHTJYBULVXGK-OXFYSEKESA-N 1 2 372.421 2.797 20 5 FFBDLO COCC[N@H+](Cc1cccnc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000191248574 510568515 /nfs/dbraw/zinc/56/85/15/510568515.db2.gz ZIWFQKOWKRMAAM-UHFFFAOYSA-N 1 2 359.382 2.505 20 5 FFBDLO COCC[N@@H+](Cc1cccnc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000191248574 510568518 /nfs/dbraw/zinc/56/85/18/510568518.db2.gz ZIWFQKOWKRMAAM-UHFFFAOYSA-N 1 2 359.382 2.505 20 5 FFBDLO C[C@@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)no1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000185193359 510740120 /nfs/dbraw/zinc/74/01/20/510740120.db2.gz YSUNKXRWUDLDAI-MNOVXSKESA-N 1 2 361.402 2.953 20 5 FFBDLO COC(=O)C[C@@H]1C[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)CCO1 ZINC000178812538 510786174 /nfs/dbraw/zinc/78/61/74/510786174.db2.gz GUVYZFWBBDBNHN-MRXNPFEDSA-N 1 2 367.401 2.710 20 5 FFBDLO COC(=O)C[C@@H]1C[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)CCO1 ZINC000178812538 510786182 /nfs/dbraw/zinc/78/61/82/510786182.db2.gz GUVYZFWBBDBNHN-MRXNPFEDSA-N 1 2 367.401 2.710 20 5 FFBDLO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1OCCc2ccccc21 ZINC000263682240 510787141 /nfs/dbraw/zinc/78/71/41/510787141.db2.gz ILRQSZYUTDWVHC-GOSISDBHSA-N 1 2 355.394 2.779 20 5 FFBDLO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1OCCc2ccccc21 ZINC000263682240 510787148 /nfs/dbraw/zinc/78/71/48/510787148.db2.gz ILRQSZYUTDWVHC-GOSISDBHSA-N 1 2 355.394 2.779 20 5 FFBDLO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1nc(Cc2ccccc2)no1 ZINC000185417355 510839836 /nfs/dbraw/zinc/83/98/36/510839836.db2.gz LWTJZJKQLIJICT-SUMWQHHRSA-N 1 2 368.393 2.953 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000361000769 510978498 /nfs/dbraw/zinc/97/84/98/510978498.db2.gz XHUBFYAHNUIJJX-GUDVDZBRSA-N 1 2 364.405 2.666 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000361233901 511016925 /nfs/dbraw/zinc/01/69/25/511016925.db2.gz FDRRZHSTNVVSGN-CHWSQXEVSA-N 1 2 370.331 2.655 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000361233901 511016930 /nfs/dbraw/zinc/01/69/30/511016930.db2.gz FDRRZHSTNVVSGN-CHWSQXEVSA-N 1 2 370.331 2.655 20 5 FFBDLO O=[N+]([O-])c1ccc2oc(C[NH+]3CCN(c4cncc(F)c4)CC3)nc2c1 ZINC000270938253 511029980 /nfs/dbraw/zinc/02/99/80/511029980.db2.gz RAKHWTNSNPMCAW-UHFFFAOYSA-N 1 2 357.345 2.592 20 5 FFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c2c(c1)COCO2 ZINC000289703691 511111068 /nfs/dbraw/zinc/11/10/68/511111068.db2.gz WKGNBJFIEBZCIH-AEFFLSMTSA-N 1 2 360.410 2.995 20 5 FFBDLO O=[N+]([O-])c1cc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c2c(c1)COCO2 ZINC000289703691 511111073 /nfs/dbraw/zinc/11/10/73/511111073.db2.gz WKGNBJFIEBZCIH-AEFFLSMTSA-N 1 2 360.410 2.995 20 5 FFBDLO Cc1n[nH]c(C(=O)NCc2ccc3c(c2)[nH+]c(C)n3C2CC2)c1[N+](=O)[O-] ZINC000282960047 511177705 /nfs/dbraw/zinc/17/77/05/511177705.db2.gz RGIAEARMNJJRGX-UHFFFAOYSA-N 1 2 354.370 2.549 20 5 FFBDLO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000283618731 511437974 /nfs/dbraw/zinc/43/79/74/511437974.db2.gz ALJPXHGFTWFSSQ-GFCCVEGCSA-N 1 2 368.821 2.577 20 5 FFBDLO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000283618734 511437983 /nfs/dbraw/zinc/43/79/83/511437983.db2.gz ALJPXHGFTWFSSQ-LBPRGKRZSA-N 1 2 368.821 2.577 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1N(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1(C)C ZINC000296329094 511702200 /nfs/dbraw/zinc/70/22/00/511702200.db2.gz PBYMSGFPCABKRP-INIZCTEOSA-N 1 2 355.398 2.801 20 5 FFBDLO COC[C@]1(C)CC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000296773451 511891671 /nfs/dbraw/zinc/89/16/71/511891671.db2.gz PWNFKPNEHKHJCY-BDJLRTHQSA-N 1 2 355.822 2.934 20 5 FFBDLO COC[C@]1(C)CC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000296773451 511891676 /nfs/dbraw/zinc/89/16/76/511891676.db2.gz PWNFKPNEHKHJCY-BDJLRTHQSA-N 1 2 355.822 2.934 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(Cc2noc(C[N@H+](C)[C@H]3CCSC3)n2)c1 ZINC000350906917 511904789 /nfs/dbraw/zinc/90/47/89/511904789.db2.gz PFQICVALUQETFN-LBPRGKRZSA-N 1 2 364.427 2.515 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(Cc2noc(C[N@@H+](C)[C@H]3CCSC3)n2)c1 ZINC000350906917 511904796 /nfs/dbraw/zinc/90/47/96/511904796.db2.gz PFQICVALUQETFN-LBPRGKRZSA-N 1 2 364.427 2.515 20 5 FFBDLO COc1cc[nH+]cc1CNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000293337628 511928510 /nfs/dbraw/zinc/92/85/10/511928510.db2.gz KWDKQBVSVPEYLD-UHFFFAOYSA-N 1 2 363.395 2.659 20 5 FFBDLO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@]2(CCCOC2)O1 ZINC000366484458 512048028 /nfs/dbraw/zinc/04/80/28/512048028.db2.gz JDSNXHZXPBWAAI-YVEFUNNKSA-N 1 2 372.368 2.966 20 5 FFBDLO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@]2(CCCOC2)O1 ZINC000366484458 512048033 /nfs/dbraw/zinc/04/80/33/512048033.db2.gz JDSNXHZXPBWAAI-YVEFUNNKSA-N 1 2 372.368 2.966 20 5 FFBDLO CC(C)Oc1cc(C(=O)N2CC[NH+](Cc3ccco3)CC2)ccc1[N+](=O)[O-] ZINC000411194282 512514309 /nfs/dbraw/zinc/51/43/09/512514309.db2.gz GQOILQJWZYKEQM-UHFFFAOYSA-N 1 2 373.409 2.933 20 5 FFBDLO CCOc1cc(C[N@@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000373809891 512516729 /nfs/dbraw/zinc/51/67/29/512516729.db2.gz KOHXHFVGDUSSSZ-RDTXWAMCSA-N 1 2 350.415 2.763 20 5 FFBDLO CCOc1cc(C[N@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000373809891 512516732 /nfs/dbraw/zinc/51/67/32/512516732.db2.gz KOHXHFVGDUSSSZ-RDTXWAMCSA-N 1 2 350.415 2.763 20 5 FFBDLO C[C@@H]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000378114665 512598210 /nfs/dbraw/zinc/59/82/10/512598210.db2.gz UCDKKVGFALZDIS-PBHICJAKSA-N 1 2 357.414 2.627 20 5 FFBDLO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000374002869 512615575 /nfs/dbraw/zinc/61/55/75/512615575.db2.gz WRDDYNFYVZXSKJ-INIZCTEOSA-N 1 2 366.381 2.871 20 5 FFBDLO COc1ccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000374028126 512630191 /nfs/dbraw/zinc/63/01/91/512630191.db2.gz PCYJVOJKLCTRRN-QWQRMKEZSA-N 1 2 350.415 2.762 20 5 FFBDLO COc1ccc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000374028126 512630196 /nfs/dbraw/zinc/63/01/96/512630196.db2.gz PCYJVOJKLCTRRN-QWQRMKEZSA-N 1 2 350.415 2.762 20 5 FFBDLO CC[C@H](NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000378264020 512664809 /nfs/dbraw/zinc/66/48/09/512664809.db2.gz JIWYLKHLOMVJRB-ZBFHGGJFSA-N 1 2 357.414 2.979 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000376117372 512669087 /nfs/dbraw/zinc/66/90/87/512669087.db2.gz SDLSRSWXWWSWPF-AWEZNQCLSA-N 1 2 357.414 2.537 20 5 FFBDLO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000374189826 512700252 /nfs/dbraw/zinc/70/02/52/512700252.db2.gz LLRHFWQDXSVYJA-UHFFFAOYSA-N 1 2 369.425 2.938 20 5 FFBDLO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374189826 512700256 /nfs/dbraw/zinc/70/02/56/512700256.db2.gz LLRHFWQDXSVYJA-UHFFFAOYSA-N 1 2 369.425 2.938 20 5 FFBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000370055001 512743910 /nfs/dbraw/zinc/74/39/10/512743910.db2.gz XYRJUGUTUQZAAT-CQSZACIVSA-N 1 2 361.377 2.900 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000374378287 512801588 /nfs/dbraw/zinc/80/15/88/512801588.db2.gz BCZOVPOKFONYJY-CYBMUJFWSA-N 1 2 355.398 2.532 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(CC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1F ZINC000411769496 512803026 /nfs/dbraw/zinc/80/30/26/512803026.db2.gz IXXJXDCYUMXSEG-ZDUSSCGKSA-N 1 2 362.361 2.762 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(c2ccncn2)CC1 ZINC000411828919 512835039 /nfs/dbraw/zinc/83/50/39/512835039.db2.gz RLUOGLQPIQYXID-UHFFFAOYSA-N 1 2 355.398 2.511 20 5 FFBDLO O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000376535910 512861724 /nfs/dbraw/zinc/86/17/24/512861724.db2.gz QXSIXGLYUNTHAU-CVEARBPZSA-N 1 2 367.833 2.621 20 5 FFBDLO C[C@H](CCNC(=O)c1cc(O)ccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000379704967 512871147 /nfs/dbraw/zinc/87/11/47/512871147.db2.gz MAWKVFUQFGEFGY-CQSZACIVSA-N 1 2 357.410 2.941 20 5 FFBDLO C[C@H](CCNC(=O)c1cc(O)ccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000379704967 512871151 /nfs/dbraw/zinc/87/11/51/512871151.db2.gz MAWKVFUQFGEFGY-CQSZACIVSA-N 1 2 357.410 2.941 20 5 FFBDLO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000376561239 512875212 /nfs/dbraw/zinc/87/52/12/512875212.db2.gz JZDFYEZBROBMKL-OAHLLOKOSA-N 1 2 355.394 2.695 20 5 FFBDLO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000376561239 512875215 /nfs/dbraw/zinc/87/52/15/512875215.db2.gz JZDFYEZBROBMKL-OAHLLOKOSA-N 1 2 355.394 2.695 20 5 FFBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3ccncn3)C2)cccc1[N+](=O)[O-] ZINC000372584252 512954397 /nfs/dbraw/zinc/95/43/97/512954397.db2.gz OANYNUFAXNMLKP-HUUCEWRRSA-N 1 2 369.425 2.900 20 5 FFBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3ccncn3)C2)cccc1[N+](=O)[O-] ZINC000372584252 512954401 /nfs/dbraw/zinc/95/44/01/512954401.db2.gz OANYNUFAXNMLKP-HUUCEWRRSA-N 1 2 369.425 2.900 20 5 FFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000374878747 513051825 /nfs/dbraw/zinc/05/18/25/513051825.db2.gz PYYXFTMHUHPKJZ-INIZCTEOSA-N 1 2 360.801 2.738 20 5 FFBDLO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C[C@H]1C ZINC000450500783 513223596 /nfs/dbraw/zinc/22/35/96/513223596.db2.gz OEASKYBKAHKMOK-OLZOCXBDSA-N 1 2 357.414 2.540 20 5 FFBDLO CC[N@H+]1C[C@H](C)N(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C[C@H]1C ZINC000450500783 513223604 /nfs/dbraw/zinc/22/36/04/513223604.db2.gz OEASKYBKAHKMOK-OLZOCXBDSA-N 1 2 357.414 2.540 20 5 FFBDLO CC(C)c1ncc(C[N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cn1 ZINC000440464680 513325519 /nfs/dbraw/zinc/32/55/19/513325519.db2.gz YLPMJJTVWXQTRU-UHFFFAOYSA-N 1 2 369.425 2.529 20 5 FFBDLO CC(C)c1ncc(C[N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cn1 ZINC000440464680 513325524 /nfs/dbraw/zinc/32/55/24/513325524.db2.gz YLPMJJTVWXQTRU-UHFFFAOYSA-N 1 2 369.425 2.529 20 5 FFBDLO C[C@@H]1C[C@@H](Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000450831362 513360009 /nfs/dbraw/zinc/36/00/09/513360009.db2.gz PIMZOWDZZGKCNU-BXUZGUMPSA-N 1 2 366.381 2.874 20 5 FFBDLO Cc1c(CNc2cc(N3CC[C@H]([C@@H](C)O)C3)nc[nH+]2)cccc1[N+](=O)[O-] ZINC000413264878 513556861 /nfs/dbraw/zinc/55/68/61/513556861.db2.gz NXDSXHHACKHOQN-HIFRSBDPSA-N 1 2 357.414 2.512 20 5 FFBDLO Cc1c(CNc2cc(N3CC[C@H]([C@@H](C)O)C3)[nH+]cn2)cccc1[N+](=O)[O-] ZINC000413264878 513556868 /nfs/dbraw/zinc/55/68/68/513556868.db2.gz NXDSXHHACKHOQN-HIFRSBDPSA-N 1 2 357.414 2.512 20 5 FFBDLO Cc1c(CNc2cc(N3CC[C@@H]([C@@H](C)O)C3)nc[nH+]2)cccc1[N+](=O)[O-] ZINC000413264879 513557527 /nfs/dbraw/zinc/55/75/27/513557527.db2.gz NXDSXHHACKHOQN-UKRRQHHQSA-N 1 2 357.414 2.512 20 5 FFBDLO Cc1c(CNc2cc(N3CC[C@@H]([C@@H](C)O)C3)[nH+]cn2)cccc1[N+](=O)[O-] ZINC000413264879 513557535 /nfs/dbraw/zinc/55/75/35/513557535.db2.gz NXDSXHHACKHOQN-UKRRQHHQSA-N 1 2 357.414 2.512 20 5 FFBDLO CN(C)c1n[nH]c(C2CCN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)CC2)n1 ZINC000413281672 513568511 /nfs/dbraw/zinc/56/85/11/513568511.db2.gz KXPRRSJPTUXUSC-UHFFFAOYSA-N 1 2 367.413 2.711 20 5 FFBDLO C[C@@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1(F)F ZINC000447806555 513576394 /nfs/dbraw/zinc/57/63/94/513576394.db2.gz NIDJMKZDKHRBHI-CYBMUJFWSA-N 1 2 355.385 2.909 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCO[C@H](c2ccco2)C1 ZINC000447810804 513576633 /nfs/dbraw/zinc/57/66/33/513576633.db2.gz KZZRTGFRUIJSKE-IBGZPJMESA-N 1 2 373.409 2.598 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC[C@H]1CCC(=O)OC(C)(C)C ZINC000425483783 513591153 /nfs/dbraw/zinc/59/11/53/513591153.db2.gz UYACZTVNUUKFLV-ZDUSSCGKSA-N 1 2 352.435 2.805 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC[C@H]1CCC(=O)OC(C)(C)C ZINC000425483783 513591160 /nfs/dbraw/zinc/59/11/60/513591160.db2.gz UYACZTVNUUKFLV-ZDUSSCGKSA-N 1 2 352.435 2.805 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000447846878 513596542 /nfs/dbraw/zinc/59/65/42/513596542.db2.gz XZDJWFVCMRYITC-DEYYWGMASA-N 1 2 350.415 2.762 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000447846878 513596546 /nfs/dbraw/zinc/59/65/46/513596546.db2.gz XZDJWFVCMRYITC-DEYYWGMASA-N 1 2 350.415 2.762 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC(F)(F)C(F)(F)C1 ZINC000413395599 513634776 /nfs/dbraw/zinc/63/47/76/513634776.db2.gz HXRMNHUQBXZBKO-UHFFFAOYSA-N 1 2 363.311 2.518 20 5 FFBDLO Cc1cc(N2C[C@@H]3CC[C@H](O)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413545855 513707634 /nfs/dbraw/zinc/70/76/34/513707634.db2.gz BIQJXTNAMHUMJM-UXLLHSPISA-N 1 2 354.410 2.957 20 5 FFBDLO CCc1cc(N[C@H]2CCC[C@@H](CO)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413620108 513737705 /nfs/dbraw/zinc/73/77/05/513737705.db2.gz XCUHZUSWHROQOC-CJNGLKHVSA-N 1 2 356.426 2.999 20 5 FFBDLO CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@@H]2CCC[C@H]2O1 ZINC000451458009 513762229 /nfs/dbraw/zinc/76/22/29/513762229.db2.gz OIWBMQXZEIBIBG-NVXWUHKLSA-N 1 2 370.409 2.953 20 5 FFBDLO CC(C)[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1[nH]cc[nH+]1 ZINC000431403471 513889747 /nfs/dbraw/zinc/88/97/47/513889747.db2.gz MKRAUQYTJZHMRA-HNNXBMFYSA-N 1 2 354.370 2.631 20 5 FFBDLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)s1 ZINC000414081685 513969416 /nfs/dbraw/zinc/96/94/16/513969416.db2.gz UPJFCFJFPLJJNN-VIFPVBQESA-N 1 2 351.384 2.697 20 5 FFBDLO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1O ZINC000436874175 514016143 /nfs/dbraw/zinc/01/61/43/514016143.db2.gz ZSLKGOZDIRKQMP-QGZVFWFLSA-N 1 2 355.394 2.867 20 5 FFBDLO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436935927 514041814 /nfs/dbraw/zinc/04/18/14/514041814.db2.gz FARJLMJWYITNLU-SUMWQHHRSA-N 1 2 355.394 2.551 20 5 FFBDLO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436935927 514041820 /nfs/dbraw/zinc/04/18/20/514041820.db2.gz FARJLMJWYITNLU-SUMWQHHRSA-N 1 2 355.394 2.551 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@H]([C@@H](O)C(F)(F)F)C3)co2)cc1 ZINC000451881246 514042316 /nfs/dbraw/zinc/04/23/16/514042316.db2.gz BEAHTSKSHZEELJ-SMDDNHRTSA-N 1 2 371.315 2.995 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@H]([C@@H](O)C(F)(F)F)C3)co2)cc1 ZINC000451881246 514042323 /nfs/dbraw/zinc/04/23/23/514042323.db2.gz BEAHTSKSHZEELJ-SMDDNHRTSA-N 1 2 371.315 2.995 20 5 FFBDLO Cc1cc(C[NH+](C)C)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000414455391 514127809 /nfs/dbraw/zinc/12/78/09/514127809.db2.gz FRJWRTBXHFVMHZ-UHFFFAOYSA-N 1 2 355.441 2.827 20 5 FFBDLO CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCCO1 ZINC000452161406 514223113 /nfs/dbraw/zinc/22/31/13/514223113.db2.gz FXRQLMLQZMYAJP-QGZVFWFLSA-N 1 2 358.398 2.668 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@H]([C@@H](O)C(F)(F)F)C3)nc2c1 ZINC000444725379 514306549 /nfs/dbraw/zinc/30/65/49/514306549.db2.gz GQNCXNRTEIPRKI-LKFCYVNXSA-N 1 2 358.320 2.606 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H]([C@@H](O)C(F)(F)F)C3)nc2c1 ZINC000444725379 514306557 /nfs/dbraw/zinc/30/65/57/514306557.db2.gz GQNCXNRTEIPRKI-LKFCYVNXSA-N 1 2 358.320 2.606 20 5 FFBDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427917006 514346269 /nfs/dbraw/zinc/34/62/69/514346269.db2.gz NXJQINCHXOVNJD-UHFFFAOYSA-N 1 2 356.313 2.555 20 5 FFBDLO COC1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000449867986 514399704 /nfs/dbraw/zinc/39/97/04/514399704.db2.gz JETWCYZMNQMTID-UHFFFAOYSA-N 1 2 358.398 2.810 20 5 FFBDLO O=C(C[N@H+]1CCC[C@@H](CCO)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000421009112 514435753 /nfs/dbraw/zinc/43/57/53/514435753.db2.gz DZSZBKSRMIPKHK-GFCCVEGCSA-N 1 2 355.822 2.671 20 5 FFBDLO O=C(C[N@@H+]1CCC[C@@H](CCO)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000421009112 514435760 /nfs/dbraw/zinc/43/57/60/514435760.db2.gz DZSZBKSRMIPKHK-GFCCVEGCSA-N 1 2 355.822 2.671 20 5 FFBDLO O=[N+]([O-])c1cccc([C@H](NCC[NH+]2CCC(O)CC2)c2ccccc2)c1 ZINC000453379608 514614156 /nfs/dbraw/zinc/61/41/56/514614156.db2.gz QUUUFMUAFFLRJH-HXUWFJFHSA-N 1 2 355.438 2.731 20 5 FFBDLO CCOc1cc(N2CC[NH+](Cc3cccc(OC)n3)CC2)ccc1[N+](=O)[O-] ZINC000475493054 514686314 /nfs/dbraw/zinc/68/63/14/514686314.db2.gz DLWXUBXMOGQIPS-UHFFFAOYSA-N 1 2 372.425 2.719 20 5 FFBDLO CCN1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@@H]1c1[nH]cc[nH+]1 ZINC000502600842 514714571 /nfs/dbraw/zinc/71/45/71/514714571.db2.gz MHLBEWZOBBHRRU-MRXNPFEDSA-N 1 2 371.441 2.501 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(Oc2ccccn2)CC1 ZINC000471151301 514771450 /nfs/dbraw/zinc/77/14/50/514771450.db2.gz KCYCDJYEFASVQV-UHFFFAOYSA-N 1 2 370.409 2.780 20 5 FFBDLO COc1cc(CNc2ccc(Cn3cc[nH+]c3)cn2)c([N+](=O)[O-])cc1O ZINC000508469257 514788954 /nfs/dbraw/zinc/78/89/54/514788954.db2.gz XLTOMZZJVAQXCB-UHFFFAOYSA-N 1 2 355.354 2.561 20 5 FFBDLO CCOc1cc(C[NH2+][C@](C)(CC(=O)OC)c2ccccn2)ccc1[N+](=O)[O-] ZINC000509121903 515034116 /nfs/dbraw/zinc/03/41/16/515034116.db2.gz HUCLEHNRRMRJKG-LJQANCHMSA-N 1 2 373.409 2.957 20 5 FFBDLO C[C@H]1C[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000456347503 515114537 /nfs/dbraw/zinc/11/45/37/515114537.db2.gz DQJWTZAQIDUIDB-GXTWGEPZSA-N 1 2 355.398 2.827 20 5 FFBDLO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCCCCNc1cccc[nH+]1 ZINC000486105753 515337180 /nfs/dbraw/zinc/33/71/80/515337180.db2.gz DYQHCQTWDIKTQX-UHFFFAOYSA-N 1 2 364.352 2.819 20 5 FFBDLO COc1ccc(CNC(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000454311139 515388953 /nfs/dbraw/zinc/38/89/53/515388953.db2.gz WZHDAMKZOFAMCE-HNNXBMFYSA-N 1 2 373.413 2.630 20 5 FFBDLO COc1cc(CNc2cc[nH+]cc2Br)cc([N+](=O)[O-])c1O ZINC000486324113 515436797 /nfs/dbraw/zinc/43/67/97/515436797.db2.gz WRWKHWQXPYECER-UHFFFAOYSA-N 1 2 354.160 2.501 20 5 FFBDLO CN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000492582765 515546553 /nfs/dbraw/zinc/54/65/53/515546553.db2.gz XQHFWQVTLYDXCJ-GOSISDBHSA-N 1 2 366.377 2.945 20 5 FFBDLO CCc1ccc([C@@H]2CN(C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])CC[NH2+]2)cc1 ZINC000505572321 515589916 /nfs/dbraw/zinc/58/99/16/515589916.db2.gz JADKNMMEMBBTOF-HNNXBMFYSA-N 1 2 371.441 2.790 20 5 FFBDLO CN(CC(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccccc1[N+](=O)[O-] ZINC000463737979 515596509 /nfs/dbraw/zinc/59/65/09/515596509.db2.gz VDJDOHOXFSPHNY-UHFFFAOYSA-N 1 2 365.393 2.533 20 5 FFBDLO Cc1ccn2cc(CNS(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)[nH+]c2c1 ZINC000493472114 515635737 /nfs/dbraw/zinc/63/57/37/515635737.db2.gz ITJIWGLJCAPNBL-UHFFFAOYSA-N 1 2 374.422 2.646 20 5 FFBDLO COCc1cccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000482353600 515658477 /nfs/dbraw/zinc/65/84/77/515658477.db2.gz BIOWJGCGAQEFLY-UHFFFAOYSA-N 1 2 366.377 2.857 20 5 FFBDLO CCn1cc[nH+]c1CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000454775477 515734883 /nfs/dbraw/zinc/73/48/83/515734883.db2.gz NWPZIMAIQGBNCU-UHFFFAOYSA-N 1 2 351.794 2.507 20 5 FFBDLO Cc1ccc2c(c1)CC[N@H+]([C@@H]1CC(=O)N(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000478236057 515749425 /nfs/dbraw/zinc/74/94/25/515749425.db2.gz QENSXXXBLUFAGC-GOSISDBHSA-N 1 2 365.389 2.593 20 5 FFBDLO Cc1ccc2c(c1)CC[N@@H+]([C@@H]1CC(=O)N(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000478236057 515749434 /nfs/dbraw/zinc/74/94/34/515749434.db2.gz QENSXXXBLUFAGC-GOSISDBHSA-N 1 2 365.389 2.593 20 5 FFBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454845587 515784554 /nfs/dbraw/zinc/78/45/54/515784554.db2.gz YGQXDBKTSZOQOZ-HOTGVXAUSA-N 1 2 369.425 2.695 20 5 FFBDLO COc1cc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc([N+](=O)[O-])c1OC ZINC000469383009 515792064 /nfs/dbraw/zinc/79/20/64/515792064.db2.gz DFBOATJWSNEDFR-IUODEOHRSA-N 1 2 374.397 2.532 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000511390700 515887238 /nfs/dbraw/zinc/88/72/38/515887238.db2.gz KHAHIRSYXNWVFH-LJQANCHMSA-N 1 2 369.421 2.707 20 5 FFBDLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000506516234 515905377 /nfs/dbraw/zinc/90/53/77/515905377.db2.gz OONOQUPGNFMBPL-UHFFFAOYSA-N 1 2 352.354 2.770 20 5 FFBDLO Cc1noc2ncc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)cc12 ZINC000506543006 515914782 /nfs/dbraw/zinc/91/47/82/515914782.db2.gz UAGWQOFKSWGELR-UHFFFAOYSA-N 1 2 364.321 2.877 20 5 FFBDLO Cc1[nH+]c2ccc(C(=O)NCCNc3ccccc3[N+](=O)[O-])cc2n1C ZINC000474289010 515973507 /nfs/dbraw/zinc/97/35/07/515973507.db2.gz LUCDOWDTETXOFE-UHFFFAOYSA-N 1 2 353.382 2.632 20 5 FFBDLO O=C(C[N@@H+]1CCC[C@H]2COCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000464856112 515992132 /nfs/dbraw/zinc/99/21/32/515992132.db2.gz RKVIXMNJKLTYKT-NHYWBVRUSA-N 1 2 353.806 2.688 20 5 FFBDLO O=C(C[N@H+]1CCC[C@H]2COCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000464856112 515992141 /nfs/dbraw/zinc/99/21/41/515992141.db2.gz RKVIXMNJKLTYKT-NHYWBVRUSA-N 1 2 353.806 2.688 20 5 FFBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000470004421 516075938 /nfs/dbraw/zinc/07/59/38/516075938.db2.gz RPKSEEMFAZZOEE-UHFFFAOYSA-N 1 2 367.409 2.741 20 5 FFBDLO Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1C ZINC000495460970 516171078 /nfs/dbraw/zinc/17/10/78/516171078.db2.gz OQOIOBKDHUXHBY-GOSISDBHSA-N 1 2 371.437 2.713 20 5 FFBDLO Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1C ZINC000495460970 516171087 /nfs/dbraw/zinc/17/10/87/516171087.db2.gz OQOIOBKDHUXHBY-GOSISDBHSA-N 1 2 371.437 2.713 20 5 FFBDLO NC(=O)c1ccc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC000543856944 516465050 /nfs/dbraw/zinc/46/50/50/516465050.db2.gz QUOOOAUTXOHTEY-UHFFFAOYSA-N 1 2 374.828 2.669 20 5 FFBDLO C[C@@H]([NH2+][C@@H](C)c1c(F)cncc1F)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000513277022 516552938 /nfs/dbraw/zinc/55/29/38/516552938.db2.gz UNWIWTAGQCJYHN-VHSXEESVSA-N 1 2 350.325 2.946 20 5 FFBDLO CSCc1cnc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)s1 ZINC000513290833 516558423 /nfs/dbraw/zinc/55/84/23/516558423.db2.gz DFXIQFBLWHRAKJ-UHFFFAOYSA-N 1 2 353.473 2.948 20 5 FFBDLO CCc1nn(C)cc1CN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000513712229 516727937 /nfs/dbraw/zinc/72/79/37/516727937.db2.gz AXXRJPUMDNTRHV-QGZVFWFLSA-N 1 2 354.414 2.503 20 5 FFBDLO CCc1ccc([C@@H]([NH2+]C[C@@H](C)S(C)(=O)=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544381129 516732928 /nfs/dbraw/zinc/73/29/28/516732928.db2.gz IKPCIRHQYIDGLY-PXAZEXFGSA-N 1 2 366.439 2.862 20 5 FFBDLO C[C@@H](O)CN1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H](C)C1 ZINC000551583042 516772762 /nfs/dbraw/zinc/77/27/62/516772762.db2.gz JEKBYPQWYZFOPG-HUUCEWRRSA-N 1 2 359.426 2.742 20 5 FFBDLO C[C@@H](O)CN1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H](C)C1 ZINC000551583042 516772768 /nfs/dbraw/zinc/77/27/68/516772768.db2.gz JEKBYPQWYZFOPG-HUUCEWRRSA-N 1 2 359.426 2.742 20 5 FFBDLO O=C1[C@H]([NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCN1c1ccccc1 ZINC000518863558 516800772 /nfs/dbraw/zinc/80/07/72/516800772.db2.gz OOVUPXCYSYJDIP-LJQANCHMSA-N 1 2 366.421 2.522 20 5 FFBDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000532134115 516817760 /nfs/dbraw/zinc/81/77/60/516817760.db2.gz XZXAFRNDKVERLR-OKILXGFUSA-N 1 2 370.409 2.851 20 5 FFBDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000532134115 516817768 /nfs/dbraw/zinc/81/77/68/516817768.db2.gz XZXAFRNDKVERLR-OKILXGFUSA-N 1 2 370.409 2.851 20 5 FFBDLO O=C(Cc1c[nH+]cn1Cc1ccccc1)NCCc1cccc([N+](=O)[O-])c1 ZINC000555622786 517023509 /nfs/dbraw/zinc/02/35/09/517023509.db2.gz YXDHHGHYDJUFKF-UHFFFAOYSA-N 1 2 364.405 2.741 20 5 FFBDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000537171331 517066511 /nfs/dbraw/zinc/06/65/11/517066511.db2.gz ARSCPMUOSAKIIS-ZDUSSCGKSA-N 1 2 360.389 2.591 20 5 FFBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CCOc2cccc(F)c2)CC1 ZINC000555742166 517096515 /nfs/dbraw/zinc/09/65/15/517096515.db2.gz LITSHBGAKOJPIR-UHFFFAOYSA-N 1 2 373.384 2.571 20 5 FFBDLO O=[N+]([O-])c1cccc2ncnc(N3CCC[N@H+](Cc4cscn4)CC3)c21 ZINC000541579161 517123844 /nfs/dbraw/zinc/12/38/44/517123844.db2.gz YDZZXWQCDWHDMR-UHFFFAOYSA-N 1 2 370.438 2.707 20 5 FFBDLO O=[N+]([O-])c1cccc2ncnc(N3CCC[N@@H+](Cc4cscn4)CC3)c21 ZINC000541579161 517123849 /nfs/dbraw/zinc/12/38/49/517123849.db2.gz YDZZXWQCDWHDMR-UHFFFAOYSA-N 1 2 370.438 2.707 20 5 FFBDLO C[N@@H+](Cc1c(F)cccc1F)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000559366635 517216889 /nfs/dbraw/zinc/21/68/89/517216889.db2.gz IIMDRDISULHPGF-ZDUSSCGKSA-N 1 2 352.337 2.745 20 5 FFBDLO C[N@H+](Cc1c(F)cccc1F)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000559366635 517216899 /nfs/dbraw/zinc/21/68/99/517216899.db2.gz IIMDRDISULHPGF-ZDUSSCGKSA-N 1 2 352.337 2.745 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@H](c1nnc[nH]1)c1cccnc1 ZINC000556252245 517339242 /nfs/dbraw/zinc/33/92/42/517339242.db2.gz DVSCRHHQWDUUEY-HNNXBMFYSA-N 1 2 358.789 2.683 20 5 FFBDLO COc1ccc(NC(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)cc1[N+](=O)[O-] ZINC000542029773 517346515 /nfs/dbraw/zinc/34/65/15/517346515.db2.gz UZXPZGJWCCUKJA-LBPRGKRZSA-N 1 2 359.386 2.807 20 5 FFBDLO O=C(C[N@@H+]1CCC[C@H]1c1ccccn1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000533347629 517421183 /nfs/dbraw/zinc/42/11/83/517421183.db2.gz FXJZVTYCUKNFDD-KRWDZBQOSA-N 1 2 352.394 2.716 20 5 FFBDLO O=C(C[N@H+]1CCC[C@H]1c1ccccn1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000533347629 517421195 /nfs/dbraw/zinc/42/11/95/517421195.db2.gz FXJZVTYCUKNFDD-KRWDZBQOSA-N 1 2 352.394 2.716 20 5 FFBDLO COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000549687651 517659917 /nfs/dbraw/zinc/65/99/17/517659917.db2.gz MZFNUKKVICMABQ-DYVFJYSZSA-N 1 2 358.394 2.810 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])c(N2CCN(Cc3cn4ccccc4[nH+]3)CC2)n1 ZINC000542864566 517789674 /nfs/dbraw/zinc/78/96/74/517789674.db2.gz BOAHLMHFMYNVDY-UHFFFAOYSA-N 1 2 366.425 2.577 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCc1ccccc1CO ZINC000530462645 517791263 /nfs/dbraw/zinc/79/12/63/517791263.db2.gz RWAAYZDWOXMIPH-UHFFFAOYSA-N 1 2 357.410 2.531 20 5 FFBDLO C[C@@H]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@@H]1n1cc[nH+]c1 ZINC000534258182 517810575 /nfs/dbraw/zinc/81/05/75/517810575.db2.gz VZOSHTFPSJJYDC-WBMJQRKESA-N 1 2 353.382 2.996 20 5 FFBDLO CCC(CC)[C@H](C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000539364310 518010541 /nfs/dbraw/zinc/01/05/41/518010541.db2.gz ZVSYRWRYKAHQQP-RDTXWAMCSA-N 1 2 363.458 2.909 20 5 FFBDLO Cc1cccn2cc(Cc3nc(Cc4ccc([N+](=O)[O-])cn4)no3)[nH+]c12 ZINC000547192160 518015391 /nfs/dbraw/zinc/01/53/91/518015391.db2.gz PQVKHZBOGXHONW-UHFFFAOYSA-N 1 2 350.338 2.511 20 5 FFBDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000535194256 518164758 /nfs/dbraw/zinc/16/47/58/518164758.db2.gz DGEPUZDVCBJRAO-CYBMUJFWSA-N 1 2 353.382 2.886 20 5 FFBDLO COC(=O)[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000567584790 518599540 /nfs/dbraw/zinc/59/95/40/518599540.db2.gz DZZUEBOAYGYLLL-KRWDZBQOSA-N 1 2 363.414 2.635 20 5 FFBDLO Cn1cc(Br)c(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000567626588 518621604 /nfs/dbraw/zinc/62/16/04/518621604.db2.gz QZAGZZIWHSIEQU-LBPRGKRZSA-N 1 2 351.204 2.868 20 5 FFBDLO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000588116359 518729045 /nfs/dbraw/zinc/72/90/45/518729045.db2.gz DCRXWLHIVDNZGA-UHFFFAOYSA-N 1 2 368.437 2.795 20 5 FFBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC000579635075 518774953 /nfs/dbraw/zinc/77/49/53/518774953.db2.gz GCHGSTCPTUQYCS-UHFFFAOYSA-N 1 2 369.421 2.998 20 5 FFBDLO CCc1[nH+]c2ccccc2n1Cc1noc(-c2cc([N+](=O)[O-])cn2C)n1 ZINC000568470500 519052759 /nfs/dbraw/zinc/05/27/59/519052759.db2.gz MBNZUBWISZYRDV-UHFFFAOYSA-N 1 2 352.354 2.944 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3nc4cc(F)ccc4o3)CC2)cn1 ZINC000574250213 519061658 /nfs/dbraw/zinc/06/16/58/519061658.db2.gz USPLXBJFNAGYMO-UHFFFAOYSA-N 1 2 357.345 2.592 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000580427866 519171224 /nfs/dbraw/zinc/17/12/24/519171224.db2.gz SJNQRTKFADCFMA-INIZCTEOSA-N 1 2 355.394 2.995 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000580427866 519171230 /nfs/dbraw/zinc/17/12/30/519171230.db2.gz SJNQRTKFADCFMA-INIZCTEOSA-N 1 2 355.394 2.995 20 5 FFBDLO COc1cc(NCc2ccc[nH+]c2N2CCOCC2)c([N+](=O)[O-])cc1C ZINC000590571035 519270003 /nfs/dbraw/zinc/27/00/03/519270003.db2.gz JOEHTSNBGABKBJ-UHFFFAOYSA-N 1 2 358.398 2.756 20 5 FFBDLO O=C1[C@@H]([N@@H+]2CCC=C(c3ccccn3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000590600733 519284543 /nfs/dbraw/zinc/28/45/43/519284543.db2.gz LRGVIBVPGIIDLY-IBGZPJMESA-N 1 2 364.405 2.884 20 5 FFBDLO O=C1[C@@H]([N@H+]2CCC=C(c3ccccn3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000590600733 519284553 /nfs/dbraw/zinc/28/45/53/519284553.db2.gz LRGVIBVPGIIDLY-IBGZPJMESA-N 1 2 364.405 2.884 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCOCC2(CCCC2)C1 ZINC000590718098 519331606 /nfs/dbraw/zinc/33/16/06/519331606.db2.gz CYRBJRWWFQIXIV-UHFFFAOYSA-N 1 2 370.409 2.813 20 5 FFBDLO COc1cccc2c1C[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC2 ZINC000590759761 519354865 /nfs/dbraw/zinc/35/48/65/519354865.db2.gz KPBNRLNGUUVRFP-UHFFFAOYSA-N 1 2 355.394 2.909 20 5 FFBDLO COc1cccc2c1C[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC2 ZINC000590759761 519354867 /nfs/dbraw/zinc/35/48/67/519354867.db2.gz KPBNRLNGUUVRFP-UHFFFAOYSA-N 1 2 355.394 2.909 20 5 FFBDLO Cc1cnc(CC[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c(C)c1 ZINC000583932156 519506519 /nfs/dbraw/zinc/50/65/19/519506519.db2.gz XMECRTHPYRGGDM-UHFFFAOYSA-N 1 2 368.437 2.607 20 5 FFBDLO Cc1ccc2[nH+]c(CNC(=O)NCc3cccc([N+](=O)[O-])c3C)cn2c1 ZINC000569559622 519610070 /nfs/dbraw/zinc/61/00/70/519610070.db2.gz DWUZAGRBSUOEEK-UHFFFAOYSA-N 1 2 353.382 2.859 20 5 FFBDLO CCn1nc(C)c(C[N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1C ZINC000602924574 519974502 /nfs/dbraw/zinc/97/45/02/519974502.db2.gz FSTRCACLYSNBOE-UHFFFAOYSA-N 1 2 359.430 2.523 20 5 FFBDLO CCn1nc(C)c(C[N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1C ZINC000602924574 519974510 /nfs/dbraw/zinc/97/45/10/519974510.db2.gz FSTRCACLYSNBOE-UHFFFAOYSA-N 1 2 359.430 2.523 20 5 FFBDLO CO[C@@H](C)c1nc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cs1 ZINC000602966145 519996734 /nfs/dbraw/zinc/99/67/34/519996734.db2.gz YEHUOQPVYBJXDT-ZBEGNZNMSA-N 1 2 351.428 2.756 20 5 FFBDLO O=[N+]([O-])c1cnccc1N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000603417773 520257434 /nfs/dbraw/zinc/25/74/34/520257434.db2.gz ARGQOJWUPSQIRS-UHFFFAOYSA-N 1 2 353.304 2.730 20 5 FFBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000609514991 520339291 /nfs/dbraw/zinc/33/92/91/520339291.db2.gz LDKXPPGOWIAVKF-UHFFFAOYSA-N 1 2 369.421 2.699 20 5 FFBDLO COc1cc(C(=O)NCc2ccc[nH+]c2N2CCCC2)ccc1[N+](=O)[O-] ZINC000597941349 520340969 /nfs/dbraw/zinc/34/09/69/520340969.db2.gz OOUPYZBTGVYBLG-UHFFFAOYSA-N 1 2 356.382 2.529 20 5 FFBDLO Cc1cc(C)c(S(=O)(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cc1[N+](=O)[O-] ZINC000617201581 520379258 /nfs/dbraw/zinc/37/92/58/520379258.db2.gz CLCHFXWFMHNJRV-UHFFFAOYSA-N 1 2 373.394 2.593 20 5 FFBDLO CN(C)c1[nH+]cccc1CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000603943947 520412975 /nfs/dbraw/zinc/41/29/75/520412975.db2.gz QRBCDOKFRCUGAG-UHFFFAOYSA-N 1 2 369.425 2.904 20 5 FFBDLO CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000592697006 520530021 /nfs/dbraw/zinc/53/00/21/520530021.db2.gz KHWNSZCTRDJHCZ-OKILXGFUSA-N 1 2 358.398 2.856 20 5 FFBDLO O=C(Nc1ccc(-c2c[nH]c[nH+]2)cc1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000604484730 520575657 /nfs/dbraw/zinc/57/56/57/520575657.db2.gz LAXQQOLKNHYPGA-UHFFFAOYSA-N 1 2 352.306 2.966 20 5 FFBDLO O=C(c1cc(N2CCC[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000610276427 520617606 /nfs/dbraw/zinc/61/76/06/520617606.db2.gz VXQWSTPZFLIYAW-MRXNPFEDSA-N 1 2 369.425 2.869 20 5 FFBDLO C[C@H](CO)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000593085321 520732918 /nfs/dbraw/zinc/73/29/18/520732918.db2.gz USOZCKFWXHYMFX-NEPJUHHUSA-N 1 2 369.849 2.916 20 5 FFBDLO O=C(C[N@@H+]1CC[C@@H]2C[C@@H]2C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000595810279 520741939 /nfs/dbraw/zinc/74/19/39/520741939.db2.gz LMSHDTDBMWRRFB-DGCLKSJQSA-N 1 2 358.423 2.999 20 5 FFBDLO O=C(C[N@H+]1CC[C@@H]2C[C@@H]2C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000595810279 520741944 /nfs/dbraw/zinc/74/19/44/520741944.db2.gz LMSHDTDBMWRRFB-DGCLKSJQSA-N 1 2 358.423 2.999 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000595829097 520753676 /nfs/dbraw/zinc/75/36/76/520753676.db2.gz WEFLHTWGWZDPCK-INIZCTEOSA-N 1 2 364.446 2.570 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000595829097 520753685 /nfs/dbraw/zinc/75/36/85/520753685.db2.gz WEFLHTWGWZDPCK-INIZCTEOSA-N 1 2 364.446 2.570 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593117923 520758350 /nfs/dbraw/zinc/75/83/50/520758350.db2.gz OIMRNMYQXUDOPE-MEBBXXQBSA-N 1 2 355.341 2.662 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593117923 520758354 /nfs/dbraw/zinc/75/83/54/520758354.db2.gz OIMRNMYQXUDOPE-MEBBXXQBSA-N 1 2 355.341 2.662 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC3CC2(c2ccccc2)C3)cc1 ZINC000595911030 520815384 /nfs/dbraw/zinc/81/53/84/520815384.db2.gz YYUQMBTWCFAMJT-UHFFFAOYSA-N 1 2 372.446 2.990 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC3CC2(c2ccccc2)C3)cc1 ZINC000595911030 520815392 /nfs/dbraw/zinc/81/53/92/520815392.db2.gz YYUQMBTWCFAMJT-UHFFFAOYSA-N 1 2 372.446 2.990 20 5 FFBDLO COc1ccc(OCC[N@@H+]2C[C@H](C)O[C@](C)(C(F)F)C2)c([N+](=O)[O-])c1 ZINC000595920935 520825413 /nfs/dbraw/zinc/82/54/13/520825413.db2.gz VCHNARGXBQXNOD-ZBEGNZNMSA-N 1 2 360.357 2.727 20 5 FFBDLO COc1ccc(OCC[N@H+]2C[C@H](C)O[C@](C)(C(F)F)C2)c([N+](=O)[O-])c1 ZINC000595920935 520825424 /nfs/dbraw/zinc/82/54/24/520825424.db2.gz VCHNARGXBQXNOD-ZBEGNZNMSA-N 1 2 360.357 2.727 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)c1 ZINC000601852408 520988922 /nfs/dbraw/zinc/98/89/22/520988922.db2.gz XZZIWDLFQUBRST-UHFFFAOYSA-N 1 2 372.450 2.781 20 5 FFBDLO COC(=O)c1cc(C)nc(N2CC[C@@H](c3cc(C)cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000599099667 521031131 /nfs/dbraw/zinc/03/11/31/521031131.db2.gz IRHSVPHTPDRNLV-CYBMUJFWSA-N 1 2 356.382 2.782 20 5 FFBDLO O=C(NCC1CC[NH+](CC(F)F)CC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000596441107 521070937 /nfs/dbraw/zinc/07/09/37/521070937.db2.gz NNMVZLKOWKKTJR-UHFFFAOYSA-N 1 2 360.336 2.833 20 5 FFBDLO CS(=O)(=O)C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000611273944 521073147 /nfs/dbraw/zinc/07/31/47/521073147.db2.gz HCTOWCGHSRUPNN-UHFFFAOYSA-N 1 2 364.423 2.864 20 5 FFBDLO O=[N+]([O-])c1ccc(NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)c(Cl)c1 ZINC000599184330 521077807 /nfs/dbraw/zinc/07/78/07/521077807.db2.gz ZZZDTWQDCOATLS-HNNXBMFYSA-N 1 2 362.817 2.956 20 5 FFBDLO O=[N+]([O-])c1ccc(NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)c(Cl)c1 ZINC000599184330 521077811 /nfs/dbraw/zinc/07/78/11/521077811.db2.gz ZZZDTWQDCOATLS-HNNXBMFYSA-N 1 2 362.817 2.956 20 5 FFBDLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N1CCc2c1cccc2[N+](=O)[O-] ZINC000602102415 521143052 /nfs/dbraw/zinc/14/30/52/521143052.db2.gz ICTZVTOMIIGZNC-CYBMUJFWSA-N 1 2 354.288 2.874 20 5 FFBDLO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000602152557 521174418 /nfs/dbraw/zinc/17/44/18/521174418.db2.gz WDHVXCVWROIJBV-CQSZACIVSA-N 1 2 370.331 2.986 20 5 FFBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccccc2)[C@@]2(CO)CCOC2)c(F)c1 ZINC000599395468 521196578 /nfs/dbraw/zinc/19/65/78/521196578.db2.gz DAVHDJDQVKODHQ-LJQANCHMSA-N 1 2 360.385 2.888 20 5 FFBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccccc2)[C@@]2(CO)CCOC2)c(F)c1 ZINC000599395468 521196586 /nfs/dbraw/zinc/19/65/86/521196586.db2.gz DAVHDJDQVKODHQ-LJQANCHMSA-N 1 2 360.385 2.888 20 5 FFBDLO Cc1[nH+]c2ccccc2n1CCCNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000611525307 521204038 /nfs/dbraw/zinc/20/40/38/521204038.db2.gz WRIDYFSAUWFXFU-UHFFFAOYSA-N 1 2 355.398 2.830 20 5 FFBDLO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000611534737 521206943 /nfs/dbraw/zinc/20/69/43/521206943.db2.gz GQISATKDSNICRY-INIZCTEOSA-N 1 2 369.421 2.942 20 5 FFBDLO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000611534737 521206950 /nfs/dbraw/zinc/20/69/50/521206950.db2.gz GQISATKDSNICRY-INIZCTEOSA-N 1 2 369.421 2.942 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611579184 521232420 /nfs/dbraw/zinc/23/24/20/521232420.db2.gz SPSBNXPTJCZRED-ZYHUDNBSSA-N 1 2 373.356 2.634 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611579184 521232426 /nfs/dbraw/zinc/23/24/26/521232426.db2.gz SPSBNXPTJCZRED-ZYHUDNBSSA-N 1 2 373.356 2.634 20 5 FFBDLO C[C@H]1C[NH+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)C1(F)F ZINC000599516195 521272175 /nfs/dbraw/zinc/27/21/75/521272175.db2.gz XYDCKWHZTOTWJP-RYUDHWBXSA-N 1 2 362.398 2.592 20 5 FFBDLO C[C@@H]1C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC2(CCCCC2)O1 ZINC000594057213 521378414 /nfs/dbraw/zinc/37/84/14/521378414.db2.gz BFFIVQKTRSPZOP-OAHLLOKOSA-N 1 2 373.453 2.908 20 5 FFBDLO C[C@@H]1C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC2(CCCCC2)O1 ZINC000594057213 521378424 /nfs/dbraw/zinc/37/84/24/521378424.db2.gz BFFIVQKTRSPZOP-OAHLLOKOSA-N 1 2 373.453 2.908 20 5 FFBDLO COC(=O)[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)Cc2ccccc21 ZINC000599670238 521384129 /nfs/dbraw/zinc/38/41/29/521384129.db2.gz HDSVTUHMTFKIFD-KRWDZBQOSA-N 1 2 356.378 2.876 20 5 FFBDLO COC(=O)[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)Cc2ccccc21 ZINC000599670238 521384139 /nfs/dbraw/zinc/38/41/39/521384139.db2.gz HDSVTUHMTFKIFD-KRWDZBQOSA-N 1 2 356.378 2.876 20 5 FFBDLO CSc1ccc(C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000594107174 521407893 /nfs/dbraw/zinc/40/78/93/521407893.db2.gz IJIZUKWLRXFMCC-RWMBFGLXSA-N 1 2 367.471 2.544 20 5 FFBDLO CSc1ccc(C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000594107174 521407899 /nfs/dbraw/zinc/40/78/99/521407899.db2.gz IJIZUKWLRXFMCC-RWMBFGLXSA-N 1 2 367.471 2.544 20 5 FFBDLO Cc1cn2c([nH+]1)CN(Cc1cc(Br)c([N+](=O)[O-])s1)CC2 ZINC000602598332 521431823 /nfs/dbraw/zinc/43/18/23/521431823.db2.gz BHBBJHCZPMMHMV-UHFFFAOYSA-N 1 2 357.233 2.940 20 5 FFBDLO C[C@H](C[S@](C)=O)[N@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602610519 521436297 /nfs/dbraw/zinc/43/62/97/521436297.db2.gz ALUPXJHENCKPDD-MDTSDYNXSA-N 1 2 355.279 2.618 20 5 FFBDLO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602610519 521436300 /nfs/dbraw/zinc/43/63/00/521436300.db2.gz ALUPXJHENCKPDD-MDTSDYNXSA-N 1 2 355.279 2.618 20 5 FFBDLO CC(C)OC[C@@H](CO)[N@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602669116 521469809 /nfs/dbraw/zinc/46/98/09/521469809.db2.gz XYZHEGGYAASFNR-SECBINFHSA-N 1 2 367.265 2.637 20 5 FFBDLO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602669116 521469815 /nfs/dbraw/zinc/46/98/15/521469815.db2.gz XYZHEGGYAASFNR-SECBINFHSA-N 1 2 367.265 2.637 20 5 FFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000602766840 521522238 /nfs/dbraw/zinc/52/22/38/521522238.db2.gz FHGMZXVPFDWAFW-HNNXBMFYSA-N 1 2 350.806 2.827 20 5 FFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000602766840 521522245 /nfs/dbraw/zinc/52/22/45/521522245.db2.gz FHGMZXVPFDWAFW-HNNXBMFYSA-N 1 2 350.806 2.827 20 5 FFBDLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000619582448 521781892 /nfs/dbraw/zinc/78/18/92/521781892.db2.gz ZWQRPVUOVHGCOI-AWEZNQCLSA-N 1 2 355.394 2.647 20 5 FFBDLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000619582448 521781902 /nfs/dbraw/zinc/78/19/02/521781902.db2.gz ZWQRPVUOVHGCOI-AWEZNQCLSA-N 1 2 355.394 2.647 20 5 FFBDLO O=[N+]([O-])c1cnc2ccc(NCc3ccc(N4CCCCC4)[nH+]c3)nn21 ZINC000502396399 561617560 /nfs/dbraw/zinc/61/75/60/561617560.db2.gz TUZPSZQUSLWZEJ-UHFFFAOYSA-N 1 2 353.386 2.635 20 5 FFBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCc2c[nH+]ccc21 ZINC000124510359 728671236 /nfs/dbraw/zinc/67/12/36/728671236.db2.gz FWAGNYFEBDZAGW-UHFFFAOYSA-N 1 2 353.787 2.703 20 5 FFBDLO CCc1nsc(N2CCC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])CC2)n1 ZINC000174520065 729073379 /nfs/dbraw/zinc/07/33/79/729073379.db2.gz GEWHXSRHZISIAX-UHFFFAOYSA-N 1 2 365.434 2.860 20 5 FFBDLO CCc1nsc(N2CCC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])CC2)n1 ZINC000174520065 729073384 /nfs/dbraw/zinc/07/33/84/729073384.db2.gz GEWHXSRHZISIAX-UHFFFAOYSA-N 1 2 365.434 2.860 20 5 FFBDLO C[C@@](CO)([NH2+]Cc1cccnc1Br)c1cccc([N+](=O)[O-])c1 ZINC000865702194 730987379 /nfs/dbraw/zinc/98/73/79/730987379.db2.gz AWSZAAFLOJAAQO-HNNXBMFYSA-N 1 2 366.215 2.750 20 5 FFBDLO Cc1nc(NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000866169764 731037057 /nfs/dbraw/zinc/03/70/57/731037057.db2.gz QOJVQZULONAVJP-UHFFFAOYSA-N 1 2 350.419 2.516 20 5 FFBDLO C[C@H]([NH2+]CCS(=O)(=O)c1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872028993 731722203 /nfs/dbraw/zinc/72/22/03/731722203.db2.gz UPHGLXOYIVCMEV-LBPRGKRZSA-N 1 2 352.387 2.858 20 5 FFBDLO C[C@@H]1C[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC[C@H](C(F)(F)F)O1 ZINC000872816452 731836773 /nfs/dbraw/zinc/83/67/73/731836773.db2.gz JBLAFYNDPBMZFM-QMTHXVAHSA-N 1 2 358.320 2.944 20 5 FFBDLO C[C@@H]1C[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC[C@H](C(F)(F)F)O1 ZINC000872816452 731836778 /nfs/dbraw/zinc/83/67/78/731836778.db2.gz JBLAFYNDPBMZFM-QMTHXVAHSA-N 1 2 358.320 2.944 20 5 FFBDLO O=C1NCCC12CC[NH+](Cc1cc(Br)c([N+](=O)[O-])s1)CC2 ZINC000877781910 732429452 /nfs/dbraw/zinc/42/94/52/732429452.db2.gz GGRBAWQFIHEIFV-UHFFFAOYSA-N 1 2 374.260 2.521 20 5 FFBDLO CC1(C)CCC[C@H](C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)O1 ZINC000877960617 732458060 /nfs/dbraw/zinc/45/80/60/732458060.db2.gz WAWCFKVLHNVLNI-CYBMUJFWSA-N 1 2 367.471 2.762 20 5 FFBDLO C[N@@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C[C@H]1CCCO1 ZINC000877972016 732460342 /nfs/dbraw/zinc/46/03/42/732460342.db2.gz BXDUCNCOSQNDRT-LLVKDONJSA-N 1 2 352.778 2.909 20 5 FFBDLO C[N@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C[C@H]1CCCO1 ZINC000877972016 732460347 /nfs/dbraw/zinc/46/03/47/732460347.db2.gz BXDUCNCOSQNDRT-LLVKDONJSA-N 1 2 352.778 2.909 20 5 FFBDLO CC[C@@]1(O)CCC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000879309751 732682115 /nfs/dbraw/zinc/68/21/15/732682115.db2.gz BBZVLWCJUNKHBM-BDJLRTHQSA-N 1 2 355.822 2.812 20 5 FFBDLO CC[C@@]1(O)CCC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000879309751 732682117 /nfs/dbraw/zinc/68/21/17/732682117.db2.gz BBZVLWCJUNKHBM-BDJLRTHQSA-N 1 2 355.822 2.812 20 5 FFBDLO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000885980242 733737257 /nfs/dbraw/zinc/73/72/57/733737257.db2.gz WXOUUBGQSSTRGQ-AWEZNQCLSA-N 1 2 350.419 2.869 20 5 FFBDLO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000885980242 733737261 /nfs/dbraw/zinc/73/72/61/733737261.db2.gz WXOUUBGQSSTRGQ-AWEZNQCLSA-N 1 2 350.419 2.869 20 5 FFBDLO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885979387 733737298 /nfs/dbraw/zinc/73/72/98/733737298.db2.gz BTQFRVYZLZDNTQ-AWEZNQCLSA-N 1 2 350.419 2.821 20 5 FFBDLO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885979387 733737301 /nfs/dbraw/zinc/73/73/01/733737301.db2.gz BTQFRVYZLZDNTQ-AWEZNQCLSA-N 1 2 350.419 2.821 20 5 FFBDLO O=[N+]([O-])c1ncccc1C[NH2+][C@H](CCO)c1ccccc1Br ZINC000886122431 733752437 /nfs/dbraw/zinc/75/24/37/733752437.db2.gz AWJKSLMHLJRRQT-CQSZACIVSA-N 1 2 366.215 2.966 20 5 FFBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000929989522 739046086 /nfs/dbraw/zinc/04/60/86/739046086.db2.gz GYTONMSNBRKMIH-UHFFFAOYSA-N 1 2 360.439 2.822 20 5 FFBDLO C[N@H+](CCc1cnccn1)Cc1cc([N+](=O)[O-])ccc1Br ZINC000930169944 739068115 /nfs/dbraw/zinc/06/81/15/739068115.db2.gz OABXAUFERXKARE-UHFFFAOYSA-N 1 2 351.204 2.822 20 5 FFBDLO C[N@@H+](CCc1cnccn1)Cc1cc([N+](=O)[O-])ccc1Br ZINC000930169944 739068120 /nfs/dbraw/zinc/06/81/20/739068120.db2.gz OABXAUFERXKARE-UHFFFAOYSA-N 1 2 351.204 2.822 20 5 FFBDLO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1 ZINC000931256623 739233376 /nfs/dbraw/zinc/23/33/76/739233376.db2.gz JMHURGJKXKRTRM-BHVCSQLQSA-N 1 2 373.272 2.843 20 5 FFBDLO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1 ZINC000931256623 739233378 /nfs/dbraw/zinc/23/33/78/739233378.db2.gz JMHURGJKXKRTRM-BHVCSQLQSA-N 1 2 373.272 2.843 20 5 FFBDLO C[C@@]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)(C(N)=O)c1cccc(Cl)c1 ZINC000788486410 739249119 /nfs/dbraw/zinc/24/91/19/739249119.db2.gz VMXUQHRHFFKUKV-INIZCTEOSA-N 1 2 351.765 2.878 20 5 FFBDLO C[C@@]1(C2CC[NH+](Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)COC(=O)N1 ZINC000932098340 739386679 /nfs/dbraw/zinc/38/66/79/739386679.db2.gz GYCDRWQFIFLXEP-INIZCTEOSA-N 1 2 355.341 2.584 20 5 FFBDLO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000796156002 740108359 /nfs/dbraw/zinc/10/83/59/740108359.db2.gz FZPNUIKOGREOKL-HNNXBMFYSA-N 1 2 351.403 2.704 20 5 FFBDLO CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000796156002 740108361 /nfs/dbraw/zinc/10/83/61/740108361.db2.gz FZPNUIKOGREOKL-HNNXBMFYSA-N 1 2 351.403 2.704 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000797518522 740252936 /nfs/dbraw/zinc/25/29/36/740252936.db2.gz HIZOOETUJWBNCZ-CYBMUJFWSA-N 1 2 351.403 2.702 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000797518522 740252940 /nfs/dbraw/zinc/25/29/40/740252940.db2.gz HIZOOETUJWBNCZ-CYBMUJFWSA-N 1 2 351.403 2.702 20 5 FFBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc(Br)ccc1[N+](=O)[O-] ZINC000804809129 740906595 /nfs/dbraw/zinc/90/65/95/740906595.db2.gz PALNAEMATFINLZ-YPMHNXCESA-N 1 2 370.247 2.657 20 5 FFBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2cc(F)ccc2Cl)CC1 ZINC001005379759 742253374 /nfs/dbraw/zinc/25/33/74/742253374.db2.gz VMEFTEGUXWOZHH-GDBMZVCRSA-N 1 2 369.824 2.567 20 5 FFBDLO C[NH+](C)Cc1csc(CNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)n1 ZINC000829976080 745287790 /nfs/dbraw/zinc/28/77/90/745287790.db2.gz KFPOZUXTYFQMFQ-CABCVRRESA-N 1 2 360.439 2.533 20 5 FFBDLO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839531994 746848987 /nfs/dbraw/zinc/84/89/87/746848987.db2.gz PRGKESYPFVWLOK-GFCCVEGCSA-N 1 2 368.231 2.554 20 5 FFBDLO O=C1CCCN1[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839531994 746848990 /nfs/dbraw/zinc/84/89/90/746848990.db2.gz PRGKESYPFVWLOK-GFCCVEGCSA-N 1 2 368.231 2.554 20 5 FFBDLO C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872059258 1013138494 /nfs/dbraw/zinc/13/84/94/1013138494.db2.gz CFHBLTCUEOZQGU-CZUORRHYSA-N 1 2 372.400 2.971 20 5 FFBDLO CC(C)(CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)n1cc[nH+]c1 ZINC000898893228 976757901 /nfs/dbraw/zinc/75/79/01/976757901.db2.gz FDZXVWXCJRBWSJ-UHFFFAOYSA-N 1 2 371.441 2.947 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@H]1CC[C@H](C2CC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000897510533 981372430 /nfs/dbraw/zinc/37/24/30/981372430.db2.gz VWZFLHRYAZJBOP-KZNAEPCWSA-N 1 2 356.426 2.965 20 5 FFBDLO CCOC(=O)Cc1ccc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c([N+](=O)[O-])c1 ZINC000826025243 1014881436 /nfs/dbraw/zinc/88/14/36/1014881436.db2.gz VZJZMJNNPSRPDB-MRXNPFEDSA-N 1 2 371.393 2.753 20 5 FFBDLO O=[N+]([O-])c1ccc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c2nonc21 ZINC000914862573 987999671 /nfs/dbraw/zinc/99/96/71/987999671.db2.gz MYDRPXRYALZQGN-INIZCTEOSA-N 1 2 369.381 2.616 20 5 FFBDLO C[C@@H](NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1[N+](=O)[O-] ZINC000444134065 989216965 /nfs/dbraw/zinc/21/69/65/989216965.db2.gz GFALOIYDPLRNLO-ZIAGYGMSSA-N 1 2 357.414 2.979 20 5 FFBDLO O=Cc1ccc(OCC(=O)Nc2cccc(-n3cc[nH+]c3)c2)c([N+](=O)[O-])c1 ZINC000068284570 991375395 /nfs/dbraw/zinc/37/53/95/991375395.db2.gz SJPZZTJDMZTTCJ-UHFFFAOYSA-N 1 2 366.333 2.611 20 5 FFBDLO COc1cncc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000808543955 994158862 /nfs/dbraw/zinc/15/88/62/994158862.db2.gz RFJMAENKDIAESE-UHFFFAOYSA-N 1 2 354.322 2.541 20 5 FFBDLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC001132589390 995017939 /nfs/dbraw/zinc/01/79/39/995017939.db2.gz MAVNLLOGIBCNKR-LJQANCHMSA-N 1 2 369.421 2.534 20 5 FFBDLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC001132589390 995017950 /nfs/dbraw/zinc/01/79/50/995017950.db2.gz MAVNLLOGIBCNKR-LJQANCHMSA-N 1 2 369.421 2.534 20 5 FFBDLO Cc1nn(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c2ncc([N+](=O)[O-])cc12 ZINC000811790003 995262067 /nfs/dbraw/zinc/26/20/67/995262067.db2.gz KAJVFNHAIVEXJM-HOTGVXAUSA-N 1 2 357.414 2.639 20 5 FFBDLO Cc1nn(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c2ncc([N+](=O)[O-])cc12 ZINC000811790003 995262072 /nfs/dbraw/zinc/26/20/72/995262072.db2.gz KAJVFNHAIVEXJM-HOTGVXAUSA-N 1 2 357.414 2.639 20 5 FFBDLO C[C@H]1C[C@H](C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)CCC1=O ZINC000813173210 995634628 /nfs/dbraw/zinc/63/46/28/995634628.db2.gz VGPHMFJTHQKMFK-LXZKKBNFSA-N 1 2 360.410 2.718 20 5 FFBDLO C[C@H]1C[C@H](C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)CCC1=O ZINC000813173210 995634630 /nfs/dbraw/zinc/63/46/30/995634630.db2.gz VGPHMFJTHQKMFK-LXZKKBNFSA-N 1 2 360.410 2.718 20 5 FFBDLO O=C(NCCCCn1cc[nH+]c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000733165108 998904609 /nfs/dbraw/zinc/90/46/09/998904609.db2.gz BHMHILLSKHHPGV-UHFFFAOYSA-N 1 2 357.414 2.602 20 5 FFBDLO C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1nc(Cc2ccccc2)no1 ZINC000743463727 999820110 /nfs/dbraw/zinc/82/01/10/999820110.db2.gz QUQOTMADHRSDNE-CXAGYDPISA-N 1 2 368.393 2.953 20 5 FFBDLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000745084814 999894345 /nfs/dbraw/zinc/89/43/45/999894345.db2.gz BLZLVLSGLSFVFI-CQSZACIVSA-N 1 2 360.370 2.562 20 5 FFBDLO CC[N@H+]1CCCC[C@@H]1C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000745084814 999894346 /nfs/dbraw/zinc/89/43/46/999894346.db2.gz BLZLVLSGLSFVFI-CQSZACIVSA-N 1 2 360.370 2.562 20 5 FFBDLO CC(C)(C)OC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168977760 1000012180 /nfs/dbraw/zinc/01/21/80/1000012180.db2.gz LQRPIQGNKUWJBH-VYDXJSESSA-N 1 2 364.442 2.680 20 5 FFBDLO Cc1ccc(NCCCNC(=O)c2cccc3[nH+]ccn32)c([N+](=O)[O-])c1 ZINC000770432314 1000786084 /nfs/dbraw/zinc/78/60/84/1000786084.db2.gz JSNVRTAGYGZZHB-UHFFFAOYSA-N 1 2 353.382 2.783 20 5 FFBDLO O=C(OCc1cccc2[nH+]ccn21)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000770922904 1000954410 /nfs/dbraw/zinc/95/44/10/1000954410.db2.gz WETMRBDTADMGGR-UHFFFAOYSA-N 1 2 363.333 2.785 20 5 FFBDLO C[C@H]1OCC[C@]12C[N@H+](Cn1cc(-c3cccc([N+](=O)[O-])c3)cn1)C[C@@H](C)O2 ZINC000790401404 1002372163 /nfs/dbraw/zinc/37/21/63/1002372163.db2.gz OSYRXQVWQCGPCQ-CLCXKQKWSA-N 1 2 372.425 2.684 20 5 FFBDLO C[C@H]1OCC[C@]12C[N@@H+](Cn1cc(-c3cccc([N+](=O)[O-])c3)cn1)C[C@@H](C)O2 ZINC000790401404 1002372176 /nfs/dbraw/zinc/37/21/76/1002372176.db2.gz OSYRXQVWQCGPCQ-CLCXKQKWSA-N 1 2 372.425 2.684 20 5 FFBDLO COC(=O)c1coc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000774859932 1002923542 /nfs/dbraw/zinc/92/35/42/1002923542.db2.gz LYTGXJFCKGCFPH-UHFFFAOYSA-N 1 2 371.305 2.517 20 5 FFBDLO CCOC(=O)[C@H]1CCCC[N@@H+]1[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170344987 1003131485 /nfs/dbraw/zinc/13/14/85/1003131485.db2.gz GCCMFLFAHWTQPH-XJKSGUPXSA-N 1 2 350.415 2.952 20 5 FFBDLO CCOC(=O)[C@H]1CCCC[N@H+]1[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170344987 1003131486 /nfs/dbraw/zinc/13/14/86/1003131486.db2.gz GCCMFLFAHWTQPH-XJKSGUPXSA-N 1 2 350.415 2.952 20 5 FFBDLO CN(C)C(=O)C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000792876020 1003216851 /nfs/dbraw/zinc/21/68/51/1003216851.db2.gz KEKVWNIJZSTXGI-MRXNPFEDSA-N 1 2 372.381 2.812 20 5 FFBDLO O=C1OCCN1C1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000852721727 1006158320 /nfs/dbraw/zinc/15/83/20/1006158320.db2.gz UVSIPDRRAGAAEB-UHFFFAOYSA-N 1 2 372.381 2.666 20 5 FFBDLO C[C@H]1COC2(CCCC2)C[N@@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000853577340 1006455118 /nfs/dbraw/zinc/45/51/18/1006455118.db2.gz IXQGJAQUCWJLOP-AWEZNQCLSA-N 1 2 357.414 2.844 20 5 FFBDLO C[C@H]1COC2(CCCC2)C[N@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000853577340 1006455124 /nfs/dbraw/zinc/45/51/24/1006455124.db2.gz IXQGJAQUCWJLOP-AWEZNQCLSA-N 1 2 357.414 2.844 20 5 FFBDLO O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1C[N@H+](CCC1CC1)CC1CC1 ZINC000853607521 1006471482 /nfs/dbraw/zinc/47/14/82/1006471482.db2.gz OYEJBGFJWPJOPZ-UHFFFAOYSA-N 1 2 358.398 2.881 20 5 FFBDLO O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1C[N@@H+](CCC1CC1)CC1CC1 ZINC000853607521 1006471489 /nfs/dbraw/zinc/47/14/89/1006471489.db2.gz OYEJBGFJWPJOPZ-UHFFFAOYSA-N 1 2 358.398 2.881 20 5 FFBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[NH2+]C1(c2nccs2)CCCC1 ZINC000132533189 1006945342 /nfs/dbraw/zinc/94/53/42/1006945342.db2.gz YSXRHDNAPFKJGJ-UHFFFAOYSA-N 1 2 372.406 2.664 20 5 FFBDLO O=C(OCc1cccc(C[NH+]2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000817179270 1007459419 /nfs/dbraw/zinc/45/94/19/1007459419.db2.gz DDBMACOKRSSVHS-UHFFFAOYSA-N 1 2 374.368 2.923 20 5 FFBDLO Cc1cc(N2CCN(Cc3cccnc3[N+](=O)[O-])CC2)nc(C(C)C)[nH+]1 ZINC000885946042 1007846155 /nfs/dbraw/zinc/84/61/55/1007846155.db2.gz CQLSZSBQUBPWCT-UHFFFAOYSA-N 1 2 356.430 2.534 20 5 FFBDLO Cc1cc(C(=O)COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(C)[nH]1 ZINC000818034061 1007849665 /nfs/dbraw/zinc/84/96/65/1007849665.db2.gz UOPYAVNVKJASKZ-UHFFFAOYSA-N 1 2 368.349 2.765 20 5 FFBDLO O=[N+]([O-])c1cccc([C@@H](O)CNc2ccc([NH+]3CCC(O)CC3)cc2)c1 ZINC000819408827 1008119874 /nfs/dbraw/zinc/11/98/74/1008119874.db2.gz SSCWZQKKJPSUCH-IBGZPJMESA-N 1 2 357.410 2.701 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@H]2CCC3(CCC3)CO2)CC1 ZINC000886069868 1008531674 /nfs/dbraw/zinc/53/16/74/1008531674.db2.gz LESXSPXJKDIZJB-GOSISDBHSA-N 1 2 373.453 2.702 20 5 FFBDLO CC(C)(CCC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)[N+](=O)[O-] ZINC000823242892 1008990656 /nfs/dbraw/zinc/99/06/56/1008990656.db2.gz FAUPDAFUMKCZSZ-ZDUSSCGKSA-N 1 2 369.412 2.881 20 5 FFBDLO CC(C)(CCC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)[N+](=O)[O-] ZINC000823242892 1008990670 /nfs/dbraw/zinc/99/06/70/1008990670.db2.gz FAUPDAFUMKCZSZ-ZDUSSCGKSA-N 1 2 369.412 2.881 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1c1c(C)n[nH]c1C ZINC000130543416 1009346553 /nfs/dbraw/zinc/34/65/53/1009346553.db2.gz VEGCRQUQLJFBTR-HNNXBMFYSA-N 1 2 373.413 2.719 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1c1c(C)n[nH]c1C ZINC000130543416 1009346567 /nfs/dbraw/zinc/34/65/67/1009346567.db2.gz VEGCRQUQLJFBTR-HNNXBMFYSA-N 1 2 373.413 2.719 20 5 FFBDLO COc1ccc2c(c1)CCC[N@@H+](Cn1c(=O)oc3cccc([N+](=O)[O-])c31)C2 ZINC000794626577 1010446264 /nfs/dbraw/zinc/44/62/64/1010446264.db2.gz SCRFYYLYQXRQJF-UHFFFAOYSA-N 1 2 369.377 2.917 20 5 FFBDLO COc1ccc2c(c1)CCC[N@H+](Cn1c(=O)oc3cccc([N+](=O)[O-])c31)C2 ZINC000794626577 1010446272 /nfs/dbraw/zinc/44/62/72/1010446272.db2.gz SCRFYYLYQXRQJF-UHFFFAOYSA-N 1 2 369.377 2.917 20 5 FFBDLO C[C@H]1C[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C[C@]2(CCCOC2)O1 ZINC000794901689 1010938486 /nfs/dbraw/zinc/93/84/86/1010938486.db2.gz PAIKBDPCBSJIKR-KXBFYZLASA-N 1 2 372.425 2.686 20 5 FFBDLO C[C@H]1C[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C[C@]2(CCCOC2)O1 ZINC000794901689 1010938491 /nfs/dbraw/zinc/93/84/91/1010938491.db2.gz PAIKBDPCBSJIKR-KXBFYZLASA-N 1 2 372.425 2.686 20 5 FFBDLO CCOC(=O)[C@H](CC)[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173009083 1012176712 /nfs/dbraw/zinc/17/67/12/1012176712.db2.gz LUURJXIZIFKWQB-HNNXBMFYSA-N 1 2 371.384 2.773 20 5 FFBDLO COc1cccc([C@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CC[NH2+]2)c1 ZINC000870150219 1012207644 /nfs/dbraw/zinc/20/76/44/1012207644.db2.gz RUTMUHPZBYBFTB-QGZVFWFLSA-N 1 2 359.357 2.529 20 5 FFBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001173221936 1012353002 /nfs/dbraw/zinc/35/30/02/1012353002.db2.gz NKLPTJVSRRTCIZ-BPNCWPANSA-N 1 2 350.312 2.863 20 5 FFBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001173221936 1012353016 /nfs/dbraw/zinc/35/30/16/1012353016.db2.gz NKLPTJVSRRTCIZ-BPNCWPANSA-N 1 2 350.312 2.863 20 5 FFBDLO CC(C)OCc1nnc2n1CC[N@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173223784 1012357477 /nfs/dbraw/zinc/35/74/77/1012357477.db2.gz HNJRPTVGLZAPOR-CQSZACIVSA-N 1 2 359.430 2.558 20 5 FFBDLO CC(C)OCc1nnc2n1CC[N@@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173223784 1012357495 /nfs/dbraw/zinc/35/74/95/1012357495.db2.gz HNJRPTVGLZAPOR-CQSZACIVSA-N 1 2 359.430 2.558 20 5 FFBDLO O=C(COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)Nc1ccccc1 ZINC000123515239 1012756482 /nfs/dbraw/zinc/75/64/82/1012756482.db2.gz RMAUWJLXAUAOFC-UHFFFAOYSA-N 1 2 366.333 2.576 20 5 FFBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](C2c3ccccc3-c3ccccc32)C1 ZINC001042705065 1019113809 /nfs/dbraw/zinc/11/38/09/1019113809.db2.gz JMENECMIWOOVAH-RTBURBONSA-N 1 2 363.417 2.564 20 5 FFBDLO Cc1csc(C[C@H]2CC[N@H+](Cn3c(=O)oc4ccc([N+](=O)[O-])cc43)C2)n1 ZINC000902541167 1020268465 /nfs/dbraw/zinc/26/84/65/1020268465.db2.gz PNPFSQLDNCCGDZ-GFCCVEGCSA-N 1 2 374.422 2.790 20 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Cc1cc2nc3nc(=O)[nH]c(O[C@@H]4CCC45CC[NH2+]CC5)c3nc2cc1C ZINC001218084133 1032987132 /nfs/dbraw/zinc/98/71/32/1032987132.db2.gz ZAGLSYJIEDPMJF-OAHLLOKOSA-N 1 2 365.437 2.806 20 5 FFBDLO COc1cccc([C@@H]2CN(C(=O)c3c(F)cccc3[N+](=O)[O-])CC[NH2+]2)c1 ZINC001120767850 1023458672 /nfs/dbraw/zinc/45/86/72/1023458672.db2.gz OVOYGNUBUHLRGJ-HNNXBMFYSA-N 1 2 359.357 2.529 20 5 FFBDLO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC001121285854 1023688742 /nfs/dbraw/zinc/68/87/42/1023688742.db2.gz SMIBLKKOTCSEGZ-ZDUSSCGKSA-N 1 2 357.414 2.961 20 5 FFBDLO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)OCCc2c[nH+]cn2C)CC1 ZINC000837314111 1025720037 /nfs/dbraw/zinc/72/00/37/1025720037.db2.gz SFXRDRDKBIWYNQ-UHFFFAOYSA-N 1 2 372.425 2.964 20 5 FFBDLO CCc1noc([C@H](C)OC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC000838103154 1026210281 /nfs/dbraw/zinc/21/02/81/1026210281.db2.gz FIIOACHYOMPDBF-JTQLQIEISA-N 1 2 357.326 2.644 20 5 FFBDLO CC[C@@]1(C)CC(=O)N(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000840127011 1026969516 /nfs/dbraw/zinc/96/95/16/1026969516.db2.gz QOLLPIUJMDGNCT-KXBFYZLASA-N 1 2 359.426 2.907 20 5 FFBDLO CC[C@@]1(C)CC(=O)N(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000840127011 1026969523 /nfs/dbraw/zinc/96/95/23/1026969523.db2.gz QOLLPIUJMDGNCT-KXBFYZLASA-N 1 2 359.426 2.907 20 5 FFBDLO CCCC[C@@H]1NC(=O)N(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000840128057 1026970219 /nfs/dbraw/zinc/97/02/19/1026970219.db2.gz UQNCLLFPOKRIRS-WBVHZDCISA-N 1 2 374.441 2.842 20 5 FFBDLO CCCC[C@@H]1NC(=O)N(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000840128057 1026970226 /nfs/dbraw/zinc/97/02/26/1026970226.db2.gz UQNCLLFPOKRIRS-WBVHZDCISA-N 1 2 374.441 2.842 20 5 FFBDLO COc1ccc2c(c1)C(=O)N(C[N@H+](C)CCc1ccccc1[N+](=O)[O-])C2 ZINC000795646250 1027391311 /nfs/dbraw/zinc/39/13/11/1027391311.db2.gz WTDCAVGRCQNKTJ-UHFFFAOYSA-N 1 2 355.394 2.691 20 5 FFBDLO COc1ccc2c(c1)C(=O)N(C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])C2 ZINC000795646250 1027391323 /nfs/dbraw/zinc/39/13/23/1027391323.db2.gz WTDCAVGRCQNKTJ-UHFFFAOYSA-N 1 2 355.394 2.691 20 5 FFBDLO CCc1nc2ccccc2n1C1CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000092884829 1027492278 /nfs/dbraw/zinc/49/22/78/1027492278.db2.gz LBIQTMBWYURZDA-UHFFFAOYSA-N 1 2 354.414 2.998 20 5 FFBDLO CC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c1O ZINC001160320887 1027671434 /nfs/dbraw/zinc/67/14/34/1027671434.db2.gz FAEIARGHLJEQSG-UHFFFAOYSA-N 1 2 366.333 2.941 20 5 FFBDLO O=C(NCCSC(F)(F)F)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001534297970 1069626610 /nfs/dbraw/zinc/62/66/10/1069626610.db2.gz QJIFCPFMEIQIDP-UHFFFAOYSA-N 1 2 360.317 2.763 20 5 FFBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001534508822 1069655717 /nfs/dbraw/zinc/65/57/17/1069655717.db2.gz DBIVWXFOADMQID-UHFFFAOYSA-N 1 2 367.321 2.619 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000797515421 1031141775 /nfs/dbraw/zinc/14/17/75/1031141775.db2.gz REVXFAKULWZZAT-UHFFFAOYSA-N 1 2 372.381 2.834 20 5 FFBDLO Cc1ccccc1[C@@H](O)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001149925423 1031620036 /nfs/dbraw/zinc/62/00/36/1031620036.db2.gz KHSAKTIYOUKZIM-SFHVURJKSA-N 1 2 366.377 2.552 20 5 FFBDLO O=c1c2cc(O[C@@H]3C[NH+]4CCC3CC4)c(O)cc2oc2cccc(O)c21 ZINC001227305848 1035499491 /nfs/dbraw/zinc/49/94/91/1035499491.db2.gz ASPCYEWSVKQJJX-GOSISDBHSA-N 1 2 353.374 2.830 20 5 FFBDLO O=[N+]([O-])c1cccc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC001233574208 1036684520 /nfs/dbraw/zinc/68/45/20/1036684520.db2.gz HOBVCPCOTYTDGP-HNNXBMFYSA-N 1 2 373.365 2.783 20 5 FFBDLO O=[N+]([O-])c1cccc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC001233574208 1036684530 /nfs/dbraw/zinc/68/45/30/1036684530.db2.gz HOBVCPCOTYTDGP-HNNXBMFYSA-N 1 2 373.365 2.783 20 5 FFBDLO O=c1c2cc(O)ccc2oc2cc(O)cc(O[C@H]3CCc4[nH+]ccn4C3)c12 ZINC001234747047 1037163941 /nfs/dbraw/zinc/16/39/41/1037163941.db2.gz HTVQMAIZJOUULD-ZDUSSCGKSA-N 1 2 364.357 2.948 20 5 FFBDLO CC(C)[N@@H+]1CC[C@H](Oc2c(O)ccc3c(=O)c4c(O)cc(O)cc4oc32)C1 ZINC001234750466 1037166443 /nfs/dbraw/zinc/16/64/43/1037166443.db2.gz JYTBQHKZCRBXDF-LBPRGKRZSA-N 1 2 371.389 2.925 20 5 FFBDLO CC(C)[N@H+]1CC[C@H](Oc2c(O)ccc3c(=O)c4c(O)cc(O)cc4oc32)C1 ZINC001234750466 1037166447 /nfs/dbraw/zinc/16/64/47/1037166447.db2.gz JYTBQHKZCRBXDF-LBPRGKRZSA-N 1 2 371.389 2.925 20 5 FFBDLO C[N@@H+]1CCC[C@H](Oc2c(O)ccc3c(=O)c4c(O)cc(O)cc4oc32)C1 ZINC001234749893 1037167279 /nfs/dbraw/zinc/16/72/79/1037167279.db2.gz GFHCPRLHFCDMFZ-NSHDSACASA-N 1 2 357.362 2.536 20 5 FFBDLO O=[N+]([O-])c1cccc([N+](=O)[O-])c1OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001230313027 1037215991 /nfs/dbraw/zinc/21/59/91/1037215991.db2.gz SACOWCHIFADFHN-HNNXBMFYSA-N 1 2 373.365 2.783 20 5 FFBDLO O=[N+]([O-])c1cccc([N+](=O)[O-])c1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001230313027 1037216004 /nfs/dbraw/zinc/21/60/04/1037216004.db2.gz SACOWCHIFADFHN-HNNXBMFYSA-N 1 2 373.365 2.783 20 5 FFBDLO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2[NH2+]CCC[C@H]2C(F)(F)F)n1 ZINC001247782660 1039947682 /nfs/dbraw/zinc/94/76/82/1039947682.db2.gz ZSYFYSMDQVKKOZ-APPZFPTMSA-N 1 2 361.255 2.782 20 5 FFBDLO Cc1c(Nc2ccc(N3CC[C@H](O)C3)[nH+]c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001211291777 1040063740 /nfs/dbraw/zinc/06/37/40/1040063740.db2.gz LTXJUNCSRPAWAY-ZDUSSCGKSA-N 1 2 359.342 2.521 20 5 FFBDLO C[N@@H+]1Cc2ccccc2C[C@@H]1c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001248121128 1040136154 /nfs/dbraw/zinc/13/61/54/1040136154.db2.gz YSYAXZUUNPEXET-CQSZACIVSA-N 1 2 355.329 2.908 20 5 FFBDLO C[N@H+]1Cc2ccccc2C[C@@H]1c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001248121128 1040136160 /nfs/dbraw/zinc/13/61/60/1040136160.db2.gz YSYAXZUUNPEXET-CQSZACIVSA-N 1 2 355.329 2.908 20 5 FFBDLO C[C@@H](CNC(=O)NCCCNc1cccc[nH+]1)c1ccccc1[N+](=O)[O-] ZINC001311449517 1043919252 /nfs/dbraw/zinc/91/92/52/1043919252.db2.gz ZVYLFQQAJAJMAY-AWEZNQCLSA-N 1 2 357.414 2.895 20 5 FFBDLO C[C@H](CC(=O)OC(C)(C)C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001318448954 1045303119 /nfs/dbraw/zinc/30/31/19/1045303119.db2.gz CTLHKWZUCRJYKX-GFCCVEGCSA-N 1 2 374.397 2.631 20 5 FFBDLO Cn1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(C(F)F)n1 ZINC001540216703 1070788621 /nfs/dbraw/zinc/78/86/21/1070788621.db2.gz CHYXQQTZJPRHHU-UHFFFAOYSA-N 1 2 362.296 2.704 20 5 FFBDLO CN(Cc1ccc(O)cc1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001294976085 1049854407 /nfs/dbraw/zinc/85/44/07/1049854407.db2.gz JUPOQPHSIVPLQO-UHFFFAOYSA-N 1 2 352.350 2.758 20 5 FFBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001303033360 1051259479 /nfs/dbraw/zinc/25/94/79/1051259479.db2.gz LUKMSALGPQIUDF-KRWDZBQOSA-N 1 2 351.366 2.545 20 5 FFBDLO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC001303306909 1051326969 /nfs/dbraw/zinc/32/69/69/1051326969.db2.gz XKRJJVWWTXXPGX-MRXNPFEDSA-N 1 2 361.348 2.968 20 5 FFBDLO Cc1[nH]c([C@@H]2CCCN2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[nH+]c1C ZINC001308070454 1052398535 /nfs/dbraw/zinc/39/85/35/1052398535.db2.gz HTFDXENQSVUOGL-KRWDZBQOSA-N 1 2 369.425 2.661 20 5 FFBDLO COC(=O)c1cccc2c1OCC[N@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC001308125205 1052412503 /nfs/dbraw/zinc/41/25/03/1052412503.db2.gz GGDPBGKVUPRDHZ-UHFFFAOYSA-N 1 2 372.377 2.655 20 5 FFBDLO COC(=O)c1cccc2c1OCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC001308125205 1052412506 /nfs/dbraw/zinc/41/25/06/1052412506.db2.gz GGDPBGKVUPRDHZ-UHFFFAOYSA-N 1 2 372.377 2.655 20 5 FFBDLO COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)cc1F ZINC001349480767 1055287878 /nfs/dbraw/zinc/28/78/78/1055287878.db2.gz NIKVIKGZSGSBGW-UHFFFAOYSA-N 1 2 370.340 2.858 20 5 FFBDLO CC(C)c1cc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)on1 ZINC001353326594 1056298345 /nfs/dbraw/zinc/29/83/45/1056298345.db2.gz OBHHWNFFTWZVDJ-UHFFFAOYSA-N 1 2 355.354 2.822 20 5 FFBDLO Cc1[nH]c(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)[nH+]c1C 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KVQCOHIMQGWPRC-LBPRGKRZSA-N 1 2 354.275 2.902 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC001460685633 1061060988 /nfs/dbraw/zinc/06/09/88/1061060988.db2.gz JEQQVBFQAPVKDU-JVPBZIDWSA-N 1 2 366.421 2.885 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC001460685633 1061060997 /nfs/dbraw/zinc/06/09/97/1061060997.db2.gz JEQQVBFQAPVKDU-JVPBZIDWSA-N 1 2 366.421 2.885 20 5 FFBDLO CCOc1cc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC001476815410 1061486387 /nfs/dbraw/zinc/48/63/87/1061486387.db2.gz KCEKOKREZLCNME-CQSZACIVSA-N 1 2 371.397 2.789 20 5 FFBDLO Cn1cc(C(=O)Nc2ccn3cc[nH+]c3c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001527606283 1061548444 /nfs/dbraw/zinc/54/84/44/1061548444.db2.gz INAJFZLJXXXIGY-UHFFFAOYSA-N 1 2 362.349 2.895 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)n1 ZINC001528889262 1062088106 /nfs/dbraw/zinc/08/81/06/1062088106.db2.gz NBIIXVUEHXEUJP-AWEZNQCLSA-N 1 2 370.409 2.944 20 5 FFBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001464046816 1062399384 /nfs/dbraw/zinc/39/93/84/1062399384.db2.gz OIXXKKTYJOMFHD-UHFFFAOYSA-N 1 2 352.350 2.758 20 5 FFBDLO Cn1cc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c(C(F)F)n1 ZINC001440253916 1063283996 /nfs/dbraw/zinc/28/39/96/1063283996.db2.gz NSEOBAAWSPKCCR-UHFFFAOYSA-N 1 2 362.296 2.704 20 5 FFBDLO CC(C)c1[nH]cc(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)[nH+]1 ZINC001472094572 1064930395 /nfs/dbraw/zinc/93/03/95/1064930395.db2.gz BNLNZNUTALUEME-UHFFFAOYSA-N 1 2 354.313 2.973 20 5 FFBDLO CC(C)c1[nH]c(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c[nH+]1 ZINC001472094572 1064930407 /nfs/dbraw/zinc/93/04/07/1064930407.db2.gz BNLNZNUTALUEME-UHFFFAOYSA-N 1 2 354.313 2.973 20 5 FFBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCc2cc(F)cc(F)c2C1 ZINC001473904170 1065415349 /nfs/dbraw/zinc/41/53/49/1065415349.db2.gz PFVILUXFOSVJLO-AWEZNQCLSA-N 1 2 364.348 2.671 20 5 FFBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCc2cc(F)cc(F)c2C1 ZINC001473904170 1065415354 /nfs/dbraw/zinc/41/53/54/1065415354.db2.gz PFVILUXFOSVJLO-AWEZNQCLSA-N 1 2 364.348 2.671 20 5 FFBDLO COC(=O)COc1ccc(CNc2ccc3c(c2)CC[NH2+]3)cc1[N+](=O)[O-] ZINC001578813062 1078530459 /nfs/dbraw/zinc/53/04/59/1078530459.db2.gz GURMESABRDFSRY-UHFFFAOYSA-N 1 2 357.366 2.727 20 5 FFBDLO CC(C)c1ccc(C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001584952403 1079407709 /nfs/dbraw/zinc/40/77/09/1079407709.db2.gz TVBYEKIRZOYNKN-KFWWJZLASA-N 1 2 363.458 2.946 20 5 FFBDLO CC(C)c1ccc(C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001584952403 1079407711 /nfs/dbraw/zinc/40/77/11/1079407711.db2.gz TVBYEKIRZOYNKN-KFWWJZLASA-N 1 2 363.458 2.946 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC001556421054 1075739506 /nfs/dbraw/zinc/73/95/06/1075739506.db2.gz HJPRMSBJROWECP-SNVBAGLBSA-N 1 2 363.805 2.584 20 5 FFBDLO COc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(C)c1 ZINC001560635557 1076287248 /nfs/dbraw/zinc/28/72/48/1076287248.db2.gz HOJJCFUIQIQWBB-UHFFFAOYSA-N 1 2 369.421 2.870 20 5 FFBDLO COc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c1O ZINC001566922305 1076988481 /nfs/dbraw/zinc/98/84/81/1076988481.db2.gz NSLJDIKTUMNRDH-UHFFFAOYSA-N 1 2 354.322 2.747 20 5 FFBDLO COc1cc(CNC[C@@H](c2ccco2)[NH+]2CCCC2)c([N+](=O)[O-])cc1O ZINC000101588792 250081626 /nfs/dbraw/zinc/08/16/26/250081626.db2.gz RWZSSMSAKFMPNX-HNNXBMFYSA-N 1 2 361.398 2.829 20 5 FFBDLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3c[nH]c4ccc([N+](=O)[O-])cc43)n2)C1 ZINC000272664527 252096450 /nfs/dbraw/zinc/09/64/50/252096450.db2.gz PEKJOXUFFKUWAQ-HNNXBMFYSA-N 1 2 357.370 2.908 20 5 FFBDLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3c[nH]c4ccc([N+](=O)[O-])cc43)n2)C1 ZINC000272664527 252096454 /nfs/dbraw/zinc/09/64/54/252096454.db2.gz PEKJOXUFFKUWAQ-HNNXBMFYSA-N 1 2 357.370 2.908 20 5 FFBDLO COc1ccc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000272845248 252145110 /nfs/dbraw/zinc/14/51/10/252145110.db2.gz PFJAJNQUSHAEFK-DOMZBBRYSA-N 1 2 359.386 2.915 20 5 FFBDLO CC(C)[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccco1 ZINC000272995048 252185733 /nfs/dbraw/zinc/18/57/33/252185733.db2.gz GGMCBUQHFWDXQJ-UHFFFAOYSA-N 1 2 352.412 2.872 20 5 FFBDLO CC(C)[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccco1 ZINC000272995048 252185735 /nfs/dbraw/zinc/18/57/35/252185735.db2.gz GGMCBUQHFWDXQJ-UHFFFAOYSA-N 1 2 352.412 2.872 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000275718406 256042105 /nfs/dbraw/zinc/04/21/05/256042105.db2.gz HCPINTUFCUZRAR-DYVFJYSZSA-N 1 2 373.413 2.987 20 5 FFBDLO CCOc1cc(C[N@H+](CC)[C@@H](C)CS(=O)(=O)CC)ccc1[N+](=O)[O-] ZINC000276897228 256140780 /nfs/dbraw/zinc/14/07/80/256140780.db2.gz LCNXKKQQXWECQW-ZDUSSCGKSA-N 1 2 358.460 2.639 20 5 FFBDLO CCOc1cc(C[N@@H+](CC)[C@@H](C)CS(=O)(=O)CC)ccc1[N+](=O)[O-] ZINC000276897228 256140781 /nfs/dbraw/zinc/14/07/81/256140781.db2.gz LCNXKKQQXWECQW-ZDUSSCGKSA-N 1 2 358.460 2.639 20 5 FFBDLO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[NH+](C)CC2)cc1 ZINC000071891689 221385894 /nfs/dbraw/zinc/38/58/94/221385894.db2.gz KDWMCPDVGUGXMO-UHFFFAOYSA-N 1 2 371.393 2.783 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])c(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000289018379 257247803 /nfs/dbraw/zinc/24/78/03/257247803.db2.gz FJPNFTRHZOZQHU-MLGOLLRUSA-N 1 2 374.397 2.969 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])c(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000289018379 257247804 /nfs/dbraw/zinc/24/78/04/257247804.db2.gz FJPNFTRHZOZQHU-MLGOLLRUSA-N 1 2 374.397 2.969 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000289633596 257291365 /nfs/dbraw/zinc/29/13/65/257291365.db2.gz SBEOMBONIZALBB-XYPHTWIQSA-N 1 2 359.426 2.955 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000289633596 257291366 /nfs/dbraw/zinc/29/13/66/257291366.db2.gz SBEOMBONIZALBB-XYPHTWIQSA-N 1 2 359.426 2.955 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000289638665 257291645 /nfs/dbraw/zinc/29/16/45/257291645.db2.gz SHWAQOBSXNXSGJ-FUHWJXTLSA-N 1 2 359.426 2.875 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000289638665 257291646 /nfs/dbraw/zinc/29/16/46/257291646.db2.gz SHWAQOBSXNXSGJ-FUHWJXTLSA-N 1 2 359.426 2.875 20 5 FFBDLO COCc1nc(C[NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])cs1 ZINC000289742257 257296479 /nfs/dbraw/zinc/29/64/79/257296479.db2.gz HQFOSQGEVIQGCZ-UHFFFAOYSA-N 1 2 353.400 2.505 20 5 FFBDLO C[C@@H](Nc1cccc(C[N@@H+]2CCNC(=O)C2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000291154179 257388594 /nfs/dbraw/zinc/38/85/94/257388594.db2.gz HONCEPWRQIDMCW-CQSZACIVSA-N 1 2 354.410 2.700 20 5 FFBDLO C[C@@H](Nc1cccc(C[N@H+]2CCNC(=O)C2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000291154179 257388595 /nfs/dbraw/zinc/38/85/95/257388595.db2.gz HONCEPWRQIDMCW-CQSZACIVSA-N 1 2 354.410 2.700 20 5 FFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291996768 257447569 /nfs/dbraw/zinc/44/75/69/257447569.db2.gz XDIARVPKBGOZKR-CMPLNLGQSA-N 1 2 368.340 2.655 20 5 FFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291996768 257447570 /nfs/dbraw/zinc/44/75/70/257447570.db2.gz XDIARVPKBGOZKR-CMPLNLGQSA-N 1 2 368.340 2.655 20 5 FFBDLO Cc1cc(N[C@@H]2CCN(C(C)C)C2=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301300881 258041000 /nfs/dbraw/zinc/04/10/00/258041000.db2.gz RCTYZYPIPHGHFL-OAHLLOKOSA-N 1 2 355.398 2.781 20 5 FFBDLO COc1ccc(C[NH+]2CCN(c3nccc(C)c3[N+](=O)[O-])CC2)cc1F ZINC000301306244 258041489 /nfs/dbraw/zinc/04/14/89/258041489.db2.gz UVIXPJJNSXFXBO-UHFFFAOYSA-N 1 2 360.389 2.768 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3cccc(F)c3)CC2)c1 ZINC000302194456 258094193 /nfs/dbraw/zinc/09/41/93/258094193.db2.gz SCKZIRZEEMJQHH-UHFFFAOYSA-N 1 2 373.384 2.843 20 5 FFBDLO Cc1cc(NC[C@]2(CCO)CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301665622 258061962 /nfs/dbraw/zinc/06/19/62/258061962.db2.gz LYAAAWVQNXTCGZ-SFHVURJKSA-N 1 2 358.398 2.561 20 5 FFBDLO O=[N+]([O-])c1cncc(Br)c1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000301943019 258076645 /nfs/dbraw/zinc/07/66/45/258076645.db2.gz VVNODLZDQUTIMC-LLVKDONJSA-N 1 2 365.187 2.805 20 5 FFBDLO CC(C)(C)n1nccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000409849608 512155500 /nfs/dbraw/zinc/15/55/00/512155500.db2.gz IZEHAMDPSDIQAR-UHFFFAOYSA-N 1 2 354.370 2.984 20 5 FFBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000065123927 506263830 /nfs/dbraw/zinc/26/38/30/506263830.db2.gz RXSHYIPRTUWCOQ-UHFFFAOYSA-N 1 2 350.378 2.812 20 5 FFBDLO COc1ccc(C[N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(OC)c1 ZINC000003540809 506340944 /nfs/dbraw/zinc/34/09/44/506340944.db2.gz KNJDPJQCTHFFPV-UHFFFAOYSA-N 1 2 373.409 2.991 20 5 FFBDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(OC)c1 ZINC000003540809 506340949 /nfs/dbraw/zinc/34/09/49/506340949.db2.gz KNJDPJQCTHFFPV-UHFFFAOYSA-N 1 2 373.409 2.991 20 5 FFBDLO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCCn3cc[nH+]c3)cc2[N+](=O)[O-])C1 ZINC000043947828 506801088 /nfs/dbraw/zinc/80/10/88/506801088.db2.gz SRPWENUKMHXNSL-GASCZTMLSA-N 1 2 371.441 2.704 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438039 506845752 /nfs/dbraw/zinc/84/57/52/506845752.db2.gz PIQQCLLNVJSQRF-UHFFFAOYSA-N 1 2 365.336 2.952 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438039 506845756 /nfs/dbraw/zinc/84/57/56/506845756.db2.gz PIQQCLLNVJSQRF-UHFFFAOYSA-N 1 2 365.336 2.952 20 5 FFBDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NCc1ccccc1[N+](=O)[O-] ZINC000067645864 506959908 /nfs/dbraw/zinc/95/99/08/506959908.db2.gz HIGHMRVKINZSAD-UHFFFAOYSA-N 1 2 369.356 2.919 20 5 FFBDLO CN(C)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c[nH+]1 ZINC000046386960 507128782 /nfs/dbraw/zinc/12/87/82/507128782.db2.gz WIVCLFZJCHOFFH-UHFFFAOYSA-N 1 2 369.425 2.586 20 5 FFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000020173148 507215666 /nfs/dbraw/zinc/21/56/66/507215666.db2.gz FHZCUSUUTQQFSZ-AWEZNQCLSA-N 1 2 372.400 2.883 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057440372 507265980 /nfs/dbraw/zinc/26/59/80/507265980.db2.gz QYUWAABDNSBXFN-UHFFFAOYSA-N 1 2 372.400 2.803 20 5 FFBDLO Cc1cc(NCCOC[C@@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000068771738 507319435 /nfs/dbraw/zinc/31/94/35/507319435.db2.gz DJJMSPJJJCFMIQ-CQSZACIVSA-N 1 2 358.398 2.825 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047745536 507387556 /nfs/dbraw/zinc/38/75/56/507387556.db2.gz KAWPLKFEGOBMIK-OAHLLOKOSA-N 1 2 354.410 2.744 20 5 FFBDLO O=C(CSc1[nH+]cc2ccccn21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000024310343 507403287 /nfs/dbraw/zinc/40/32/87/507403287.db2.gz ABZJDNMDPYEQCL-UHFFFAOYSA-N 1 2 354.391 2.924 20 5 FFBDLO Cc1[nH+]c2ccccc2n1CCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000060950027 507587162 /nfs/dbraw/zinc/58/71/62/507587162.db2.gz ORVKMCFXQXUJQG-UHFFFAOYSA-N 1 2 374.422 2.622 20 5 FFBDLO C[C@@H](NC(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC000061019785 507591329 /nfs/dbraw/zinc/59/13/29/507591329.db2.gz UYDIOIOAJJYCIH-MRXNPFEDSA-N 1 2 368.437 2.594 20 5 FFBDLO CC(C)C[C@H]1COCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000071041791 507685853 /nfs/dbraw/zinc/68/58/53/507685853.db2.gz HBINPFONLPABBZ-HNNXBMFYSA-N 1 2 358.398 2.668 20 5 FFBDLO O=[N+]([O-])c1c(NCc2ccc[nH+]c2N2CCOCC2)ccc2ncccc21 ZINC000051799488 507785987 /nfs/dbraw/zinc/78/59/87/507785987.db2.gz KEDIPIZSBMIHAQ-UHFFFAOYSA-N 1 2 365.393 2.987 20 5 FFBDLO C[C@H](C(=O)NC1CCC(C)CC1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000030912596 507814639 /nfs/dbraw/zinc/81/46/39/507814639.db2.gz YMHNHTCWZDDOQU-AQFXKWCLSA-N 1 2 374.485 2.800 20 5 FFBDLO CCOCc1ccccc1CNC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000052589679 507814813 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FFBDLO COc1ccc([C@@H](CNc2cc(C)c([N+](=O)[O-])cn2)[NH+]2CCOCC2)cc1 ZINC000074725717 508050141 /nfs/dbraw/zinc/05/01/41/508050141.db2.gz UMHRJUATAPSOGC-GOSISDBHSA-N 1 2 372.425 2.792 20 5 FFBDLO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000075181018 508087967 /nfs/dbraw/zinc/08/79/67/508087967.db2.gz URXAJHDTMJKXAF-INIZCTEOSA-N 1 2 355.394 2.647 20 5 FFBDLO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000075181018 508087969 /nfs/dbraw/zinc/08/79/69/508087969.db2.gz URXAJHDTMJKXAF-INIZCTEOSA-N 1 2 355.394 2.647 20 5 FFBDLO CN(Cc1[nH+]ccn1C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000092733637 508098277 /nfs/dbraw/zinc/09/82/77/508098277.db2.gz FEYFQSWHXMGWFE-UHFFFAOYSA-N 1 2 355.301 2.594 20 5 FFBDLO Cc1cc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc[nH+]1 ZINC000111546674 508108073 /nfs/dbraw/zinc/10/80/73/508108073.db2.gz LJQNEZNAMVBAAY-GFCCVEGCSA-N 1 2 360.395 2.603 20 5 FFBDLO 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C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C[N@H+]1Cc1ccccc1 ZINC000137881811 508766535 /nfs/dbraw/zinc/76/65/35/508766535.db2.gz GQRLLNBHDPFYAT-CJNGLKHVSA-N 1 2 355.394 2.693 20 5 FFBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000119373343 508782358 /nfs/dbraw/zinc/78/23/58/508782358.db2.gz JWYQTCZCZXCIOQ-YXMGTMDOSA-N 1 2 354.410 2.823 20 5 FFBDLO CN(CCCn1cc[nH+]c1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000154734705 508844459 /nfs/dbraw/zinc/84/44/59/508844459.db2.gz KSPJKEONEJEWED-UHFFFAOYSA-N 1 2 371.441 2.944 20 5 FFBDLO Cc1cc(C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)cc([N+](=O)[O-])c1 ZINC000130891963 508861857 /nfs/dbraw/zinc/86/18/57/508861857.db2.gz IUPBRHLJGMKKCJ-UHFFFAOYSA-N 1 2 355.394 2.567 20 5 FFBDLO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1Br ZINC000159702969 508877136 /nfs/dbraw/zinc/87/71/36/508877136.db2.gz DOHRVXIHWFBPKR-UHFFFAOYSA-N 1 2 366.215 2.651 20 5 FFBDLO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1Br ZINC000159702969 508877139 /nfs/dbraw/zinc/87/71/39/508877139.db2.gz DOHRVXIHWFBPKR-UHFFFAOYSA-N 1 2 366.215 2.651 20 5 FFBDLO O=C(C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N1CCc2sccc2C1 ZINC000131521975 508944369 /nfs/dbraw/zinc/94/43/69/508944369.db2.gz DVDCDQZGGBFLED-UHFFFAOYSA-N 1 2 357.435 2.599 20 5 FFBDLO O=C(C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N1CCc2sccc2C1 ZINC000131521975 508944370 /nfs/dbraw/zinc/94/43/70/508944370.db2.gz DVDCDQZGGBFLED-UHFFFAOYSA-N 1 2 357.435 2.599 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@]3(CO)CCc4ccccc43)n2)cc1 ZINC000132375661 509022982 /nfs/dbraw/zinc/02/29/82/509022982.db2.gz DOOMXKOPLKWICD-IBGZPJMESA-N 1 2 366.377 2.568 20 5 FFBDLO C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H](c2ccsc2)O1 ZINC000120672785 509042366 /nfs/dbraw/zinc/04/23/66/509042366.db2.gz NWXHRYMNOPQVEH-BDJLRTHQSA-N 1 2 361.423 2.717 20 5 FFBDLO C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H](c2ccsc2)O1 ZINC000120672785 509042369 /nfs/dbraw/zinc/04/23/69/509042369.db2.gz NWXHRYMNOPQVEH-BDJLRTHQSA-N 1 2 361.423 2.717 20 5 FFBDLO COc1ccc(C(=O)NCCNc2ccc3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000125913437 509044016 /nfs/dbraw/zinc/04/40/16/509044016.db2.gz YHOVZFGIGUSDIN-UHFFFAOYSA-N 1 2 366.377 2.994 20 5 FFBDLO COc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000191951675 509260347 /nfs/dbraw/zinc/26/03/47/509260347.db2.gz AHDQZADCFZBDID-UHFFFAOYSA-N 1 2 373.409 2.513 20 5 FFBDLO CCOCCC1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000179229118 509330529 /nfs/dbraw/zinc/33/05/29/509330529.db2.gz WYUSZYCFPTTYLP-UHFFFAOYSA-N 1 2 358.398 2.717 20 5 FFBDLO COc1cc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc([N+](=O)[O-])c1C ZINC000189340738 509528279 /nfs/dbraw/zinc/52/82/79/509528279.db2.gz FYRIKAUNBILKHW-BLLLJJGKSA-N 1 2 358.398 2.832 20 5 FFBDLO C[S@](=O)C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 ZINC000183133872 509618260 /nfs/dbraw/zinc/61/82/60/509618260.db2.gz HVZJIXIKOLWAAD-BZQUYTCOSA-N 1 2 359.407 2.945 20 5 FFBDLO Nc1ccc([N+](=O)[O-])c(NC[C@H](c2ccc(F)cc2)[NH+]2CCOCC2)c1 ZINC000192764253 509633283 /nfs/dbraw/zinc/63/32/83/509633283.db2.gz IVVMGMIGHFVXCZ-GOSISDBHSA-N 1 2 360.389 2.802 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000170676385 509714114 /nfs/dbraw/zinc/71/41/14/509714114.db2.gz XFTGTHZJNWHQKR-AWEZNQCLSA-N 1 2 366.381 2.523 20 5 FFBDLO C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C[C@@H]1n1cc[nH+]c1 ZINC000268257721 509837992 /nfs/dbraw/zinc/83/79/92/509837992.db2.gz LRYCIRQUSNODIA-GUYCJALGSA-N 1 2 371.397 2.835 20 5 FFBDLO COCCO[C@@H]1CCCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000193562138 509966353 /nfs/dbraw/zinc/96/63/53/509966353.db2.gz SCYYBKZLCSNYSI-QGZVFWFLSA-N 1 2 372.425 2.992 20 5 FFBDLO CCOC[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000246134260 510313727 /nfs/dbraw/zinc/31/37/27/510313727.db2.gz FNLVNNLJUGGPHN-NEPJUHHUSA-N 1 2 355.822 2.934 20 5 FFBDLO CCOC[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000246134260 510313733 /nfs/dbraw/zinc/31/37/33/510313733.db2.gz FNLVNNLJUGGPHN-NEPJUHHUSA-N 1 2 355.822 2.934 20 5 FFBDLO COc1cc(C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)ccc1[N+](=O)[O-] ZINC000194610919 510444346 /nfs/dbraw/zinc/44/43/46/510444346.db2.gz HKONRPATOHGGSB-UHFFFAOYSA-N 1 2 359.382 2.896 20 5 FFBDLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1O ZINC000184690109 510465154 /nfs/dbraw/zinc/46/51/54/510465154.db2.gz JVLSMBOPVXEVOL-UHFFFAOYSA-N 1 2 368.349 2.828 20 5 FFBDLO CCN(C)c1ccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000191171905 510532930 /nfs/dbraw/zinc/53/29/30/510532930.db2.gz BBUSWGZUQFLROK-UHFFFAOYSA-N 1 2 355.442 2.768 20 5 FFBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000185002433 510627241 /nfs/dbraw/zinc/62/72/41/510627241.db2.gz JBLQTZAMFSRMLW-KRWDZBQOSA-N 1 2 368.437 2.907 20 5 FFBDLO CCCO[C@H]1CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000181863128 510631242 /nfs/dbraw/zinc/63/12/42/510631242.db2.gz DMHXFUJQODIQQQ-INIZCTEOSA-N 1 2 370.471 2.650 20 5 FFBDLO CCCO[C@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000181863128 510631251 /nfs/dbraw/zinc/63/12/51/510631251.db2.gz DMHXFUJQODIQQQ-INIZCTEOSA-N 1 2 370.471 2.650 20 5 FFBDLO Cc1c[nH+]ccc1CCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000269997453 510634603 /nfs/dbraw/zinc/63/46/03/510634603.db2.gz QQXCEXRIZCKMAB-UHFFFAOYSA-N 1 2 371.365 2.949 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH+]2CCC(C(F)(F)F)CC2)cc1 ZINC000181928812 510665225 /nfs/dbraw/zinc/66/52/25/510665225.db2.gz FLHDTXBJVUOMCA-UHFFFAOYSA-N 1 2 366.361 2.643 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCS[C@H]3CCCC[C@@H]32)cc1 ZINC000181980193 510689832 /nfs/dbraw/zinc/68/98/32/510689832.db2.gz ZJECYOIFUNXBSD-HOTGVXAUSA-N 1 2 370.496 2.729 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCS[C@H]3CCCC[C@@H]32)cc1 ZINC000181980193 510689834 /nfs/dbraw/zinc/68/98/34/510689834.db2.gz ZJECYOIFUNXBSD-HOTGVXAUSA-N 1 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Cc1c(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cccc1[N+](=O)[O-] ZINC000298081964 511168832 /nfs/dbraw/zinc/16/88/32/511168832.db2.gz LYLRSPLUWUWVAU-UHFFFAOYSA-N 1 2 357.370 2.529 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291764764 511329296 /nfs/dbraw/zinc/32/92/96/511329296.db2.gz LJWCVVQVSXQPSM-AAEUAGOBSA-N 1 2 363.805 2.719 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H](n2cccn2)C1 ZINC000291764764 511329298 /nfs/dbraw/zinc/32/92/98/511329298.db2.gz LJWCVVQVSXQPSM-AAEUAGOBSA-N 1 2 363.805 2.719 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000363195342 511410794 /nfs/dbraw/zinc/41/07/94/511410794.db2.gz FHJMYKHPAXSDPN-HNNXBMFYSA-N 1 2 370.409 2.728 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000363195342 511410801 /nfs/dbraw/zinc/41/08/01/511410801.db2.gz FHJMYKHPAXSDPN-HNNXBMFYSA-N 1 2 370.409 2.728 20 5 FFBDLO C[C@H](C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000365549281 511521150 /nfs/dbraw/zinc/52/11/50/511521150.db2.gz QLUZDEPQPMHEBT-SWLSCSKDSA-N 1 2 359.357 2.912 20 5 FFBDLO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(O)c1[N+](=O)[O-] ZINC000280889563 511642328 /nfs/dbraw/zinc/64/23/28/511642328.db2.gz BPARYPGOHGQAGQ-UHFFFAOYSA-N 1 2 355.394 2.695 20 5 FFBDLO C[N@@H+]1CC[C@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000284360808 511696756 /nfs/dbraw/zinc/69/67/56/511696756.db2.gz SVBKZABFYABFFC-LPHOPBHVSA-N 1 2 354.410 2.568 20 5 FFBDLO C[N@H+]1CC[C@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000284360808 511696764 /nfs/dbraw/zinc/69/67/64/511696764.db2.gz SVBKZABFYABFFC-LPHOPBHVSA-N 1 2 354.410 2.568 20 5 FFBDLO CC1=C(Br)C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000281165223 511744145 /nfs/dbraw/zinc/74/41/45/511744145.db2.gz PYQBVEDEGKNRGJ-UHFFFAOYSA-N 1 2 354.204 2.568 20 5 FFBDLO CC1=C(Br)C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000281165223 511744151 /nfs/dbraw/zinc/74/41/51/511744151.db2.gz PYQBVEDEGKNRGJ-UHFFFAOYSA-N 1 2 354.204 2.568 20 5 FFBDLO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])C2)CC1 ZINC000365980983 511763540 /nfs/dbraw/zinc/76/35/40/511763540.db2.gz SPWLZPRXXJCQQH-OAHLLOKOSA-N 1 2 361.442 2.885 20 5 FFBDLO COc1cc(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c([N+](=O)[O-])cc1F ZINC000274357895 511807234 /nfs/dbraw/zinc/80/72/34/511807234.db2.gz YRURRMWKACTRHH-MFKMUULPSA-N 1 2 352.284 2.630 20 5 FFBDLO COc1cc(C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c([N+](=O)[O-])cc1F ZINC000274357895 511807238 /nfs/dbraw/zinc/80/72/38/511807238.db2.gz YRURRMWKACTRHH-MFKMUULPSA-N 1 2 352.284 2.630 20 5 FFBDLO C[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000323948305 511832858 /nfs/dbraw/zinc/83/28/58/511832858.db2.gz WCXVXRHXEAFPAG-HNNXBMFYSA-N 1 2 369.421 2.895 20 5 FFBDLO C[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000323948305 511832863 /nfs/dbraw/zinc/83/28/63/511832863.db2.gz WCXVXRHXEAFPAG-HNNXBMFYSA-N 1 2 369.421 2.895 20 5 FFBDLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000366125358 511854369 /nfs/dbraw/zinc/85/43/69/511854369.db2.gz FVUJWDBPJVRGGD-ZDUSSCGKSA-N 1 2 355.398 2.549 20 5 FFBDLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000366125358 511854374 /nfs/dbraw/zinc/85/43/74/511854374.db2.gz FVUJWDBPJVRGGD-ZDUSSCGKSA-N 1 2 355.398 2.549 20 5 FFBDLO CC(C)(C)OC(=O)Cc1noc(-c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC000351084823 511949318 /nfs/dbraw/zinc/94/93/18/511949318.db2.gz FEMCCSSYHVKWTL-UHFFFAOYSA-N 1 2 371.353 2.715 20 5 FFBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@H+](CCn1cccn1)CC2 ZINC000284995639 511962322 /nfs/dbraw/zinc/96/23/22/511962322.db2.gz YOORKIPYANSBHK-UHFFFAOYSA-N 1 2 351.204 2.612 20 5 FFBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@@H+](CCn1cccn1)CC2 ZINC000284995639 511962328 /nfs/dbraw/zinc/96/23/28/511962328.db2.gz YOORKIPYANSBHK-UHFFFAOYSA-N 1 2 351.204 2.612 20 5 FFBDLO CCc1cc(NCC2([S@](C)=O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000281834415 511983993 /nfs/dbraw/zinc/98/39/93/511983993.db2.gz XZKONBAMXVXYKD-VWLOTQADSA-N 1 2 360.439 2.937 20 5 FFBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000281858193 511992067 /nfs/dbraw/zinc/99/20/67/511992067.db2.gz QOCFJOGVAQLIKL-OAHLLOKOSA-N 1 2 374.445 2.768 20 5 FFBDLO Cc1nc(N2CC[NH+]([C@@H](C)c3ccc(F)cc3F)CC2)ncc1[N+](=O)[O-] ZINC000297192779 512056136 /nfs/dbraw/zinc/05/61/36/512056136.db2.gz QUTHCIDDBLRCEK-LBPRGKRZSA-N 1 2 363.368 2.855 20 5 FFBDLO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378081062 512580325 /nfs/dbraw/zinc/58/03/25/512580325.db2.gz WMYKTDMTXVILBZ-UHFFFAOYSA-N 1 2 355.398 2.912 20 5 FFBDLO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378081062 512580331 /nfs/dbraw/zinc/58/03/31/512580331.db2.gz WMYKTDMTXVILBZ-UHFFFAOYSA-N 1 2 355.398 2.912 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000373938674 512582680 /nfs/dbraw/zinc/58/26/80/512582680.db2.gz OGZBHMGHKAMURO-KBPBESRZSA-N 1 2 355.398 2.591 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000373938674 512582685 /nfs/dbraw/zinc/58/26/85/512582685.db2.gz OGZBHMGHKAMURO-KBPBESRZSA-N 1 2 355.398 2.591 20 5 FFBDLO Cc1nnc([C@@H]2CCCC[N@@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])[nH]1 ZINC000411396562 512615698 /nfs/dbraw/zinc/61/56/98/512615698.db2.gz JXCBWWNIBISSSR-HNNXBMFYSA-N 1 2 358.402 2.577 20 5 FFBDLO Cc1nnc([C@@H]2CCCC[N@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])[nH]1 ZINC000411396562 512615703 /nfs/dbraw/zinc/61/57/03/512615703.db2.gz JXCBWWNIBISSSR-HNNXBMFYSA-N 1 2 358.402 2.577 20 5 FFBDLO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000378406625 512744389 /nfs/dbraw/zinc/74/43/89/512744389.db2.gz GONUJGZDWGGMQV-CQSZACIVSA-N 1 2 353.338 2.549 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000370057174 512745740 /nfs/dbraw/zinc/74/57/40/512745740.db2.gz VFTVRWCABPGLFK-ZIAGYGMSSA-N 1 2 371.224 2.725 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000370057174 512745742 /nfs/dbraw/zinc/74/57/42/512745742.db2.gz VFTVRWCABPGLFK-ZIAGYGMSSA-N 1 2 371.224 2.725 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H](C2CCOCC2)C1 ZINC000372198478 512757833 /nfs/dbraw/zinc/75/78/33/512757833.db2.gz BAPQONMHLOTJBL-INIZCTEOSA-N 1 2 370.409 2.669 20 5 FFBDLO Cc1noc(C2(C)CC[NH+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000378585334 512837111 /nfs/dbraw/zinc/83/71/11/512837111.db2.gz WJDPBQHMKCSPPE-LBPRGKRZSA-N 1 2 373.413 2.667 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3C[C@H](O)C[C@@H]3c3ccccc3)n2)c1 ZINC000411934093 512879434 /nfs/dbraw/zinc/87/94/34/512879434.db2.gz HDSHCFBWNCHEID-IAGOWNOFSA-N 1 2 366.377 2.953 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3C[C@H](O)C[C@@H]3c3ccccc3)n2)c1 ZINC000411934093 512879438 /nfs/dbraw/zinc/87/94/38/512879438.db2.gz HDSHCFBWNCHEID-IAGOWNOFSA-N 1 2 366.377 2.953 20 5 FFBDLO Cn1cc(-c2ncc(C[N@H+](Cc3ccccc3[N+](=O)[O-])C3CC3)cn2)cn1 ZINC000377037218 513096820 /nfs/dbraw/zinc/09/68/20/513096820.db2.gz IHXXZIKIIYMXET-UHFFFAOYSA-N 1 2 364.409 2.950 20 5 FFBDLO Cn1cc(-c2ncc(C[N@@H+](Cc3ccccc3[N+](=O)[O-])C3CC3)cn2)cn1 ZINC000377037218 513096823 /nfs/dbraw/zinc/09/68/23/513096823.db2.gz IHXXZIKIIYMXET-UHFFFAOYSA-N 1 2 364.409 2.950 20 5 FFBDLO CC(C)c1n[nH]c(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1[N+](=O)[O-] ZINC000433979875 513205755 /nfs/dbraw/zinc/20/57/55/513205755.db2.gz FSASHEGKKUIJAT-UHFFFAOYSA-N 1 2 372.360 2.696 20 5 FFBDLO C[C@H]1CCCN(c2ccc(C(=O)Nc3ccc(N)[nH+]c3)cc2[N+](=O)[O-])C1 ZINC000428906568 513220515 /nfs/dbraw/zinc/22/05/15/513220515.db2.gz OBQFZCZREVQZMU-LBPRGKRZSA-N 1 2 355.398 2.891 20 5 FFBDLO C[C@]1(CCCO)CCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450532226 513239334 /nfs/dbraw/zinc/23/93/34/513239334.db2.gz NTUODRPEQCGCPM-GOSISDBHSA-N 1 2 358.398 2.548 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N(CCO)CC1CCCCC1 ZINC000450758855 513328337 /nfs/dbraw/zinc/32/83/37/513328337.db2.gz OPDLEHPQCQNCOR-UHFFFAOYSA-N 1 2 372.425 2.795 20 5 FFBDLO Cc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440490321 513331569 /nfs/dbraw/zinc/33/15/69/513331569.db2.gz GSVZMCGBVBQZBB-OAHLLOKOSA-N 1 2 369.425 2.732 20 5 FFBDLO Cc1cccc(C)c1NC(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440490321 513331576 /nfs/dbraw/zinc/33/15/76/513331576.db2.gz GSVZMCGBVBQZBB-OAHLLOKOSA-N 1 2 369.425 2.732 20 5 FFBDLO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000429535992 513400496 /nfs/dbraw/zinc/40/04/96/513400496.db2.gz ARIIBHNWYFFPNP-SNVBAGLBSA-N 1 2 369.303 2.947 20 5 FFBDLO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3cccnc3)CC2)c(C(F)(F)F)c1 ZINC000413041764 513402413 /nfs/dbraw/zinc/40/24/13/513402413.db2.gz XVXRUIKWAWLGCV-UHFFFAOYSA-N 1 2 367.331 2.726 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCN1CCOC(C)(C)C1 ZINC000434708802 513403139 /nfs/dbraw/zinc/40/31/39/513403139.db2.gz DQWDWJHTUBINQK-UHFFFAOYSA-N 1 2 365.474 2.925 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCN1CCOC(C)(C)C1 ZINC000434708802 513403142 /nfs/dbraw/zinc/40/31/42/513403142.db2.gz DQWDWJHTUBINQK-UHFFFAOYSA-N 1 2 365.474 2.925 20 5 FFBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2cc([N+](=O)[O-])c[nH]2)c(C)c1 ZINC000440858009 513424391 /nfs/dbraw/zinc/42/43/91/513424391.db2.gz VGQPWYZGCRXAII-QGZVFWFLSA-N 1 2 353.382 2.908 20 5 FFBDLO CCN1CCN(c2ccc([N+](=O)[O-])c3ncccc23)C[C@H]1c1[nH]cc[nH+]1 ZINC000413268122 513558315 /nfs/dbraw/zinc/55/83/15/513558315.db2.gz NNTJFSTYXQKIHU-INIZCTEOSA-N 1 2 352.398 2.749 20 5 FFBDLO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)C[C@H]1c1ncc[nH]1 ZINC000413268122 513558318 /nfs/dbraw/zinc/55/83/18/513558318.db2.gz NNTJFSTYXQKIHU-INIZCTEOSA-N 1 2 352.398 2.749 20 5 FFBDLO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)C[C@H]1c1ncc[nH]1 ZINC000413268122 513558321 /nfs/dbraw/zinc/55/83/21/513558321.db2.gz NNTJFSTYXQKIHU-INIZCTEOSA-N 1 2 352.398 2.749 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000430203375 513586323 /nfs/dbraw/zinc/58/63/23/513586323.db2.gz FHUFCOHLURGNED-QGZVFWFLSA-N 1 2 363.801 2.747 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1CN(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000430217138 513589253 /nfs/dbraw/zinc/58/92/53/513589253.db2.gz HDCSOVAZXJOTNL-UHFFFAOYSA-N 1 2 358.320 2.994 20 5 FFBDLO CCc1cc(NCCc2cnc(C)cn2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413343599 513605520 /nfs/dbraw/zinc/60/55/20/513605520.db2.gz BBBKUBCCGPFXTC-UHFFFAOYSA-N 1 2 364.409 2.789 20 5 FFBDLO COc1cccc(CCNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000441803329 513625570 /nfs/dbraw/zinc/62/55/70/513625570.db2.gz QVLSJUUOAOWZTL-UHFFFAOYSA-N 1 2 365.393 2.840 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3C[C@@H](c4ccccc4)[C@@](F)(CO)C3)nc2c1 ZINC000451280562 513648358 /nfs/dbraw/zinc/64/83/58/513648358.db2.gz HFMJJJSIVLHQJH-KXBFYZLASA-N 1 2 370.384 2.771 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3C[C@@H](c4ccccc4)[C@@](F)(CO)C3)nc2c1 ZINC000451280562 513648362 /nfs/dbraw/zinc/64/83/62/513648362.db2.gz HFMJJJSIVLHQJH-KXBFYZLASA-N 1 2 370.384 2.771 20 5 FFBDLO Cc1cc(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c(C)cc1[N+](=O)[O-] ZINC000416414078 513760339 /nfs/dbraw/zinc/76/03/39/513760339.db2.gz FKIIQJVMMAJZSW-UHFFFAOYSA-N 1 2 364.427 2.503 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](OCC)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000451546705 513825138 /nfs/dbraw/zinc/82/51/38/513825138.db2.gz SQXNHVMIZOEFSU-CXAGYDPISA-N 1 2 365.430 2.679 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](OCC)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000451546705 513825145 /nfs/dbraw/zinc/82/51/45/513825145.db2.gz SQXNHVMIZOEFSU-CXAGYDPISA-N 1 2 365.430 2.679 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCSC[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000451647192 513887329 /nfs/dbraw/zinc/88/73/29/513887329.db2.gz HZJMRORXRJPSBE-INIZCTEOSA-N 1 2 365.455 2.759 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+]2CCSC[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000451647192 513887336 /nfs/dbraw/zinc/88/73/36/513887336.db2.gz HZJMRORXRJPSBE-INIZCTEOSA-N 1 2 365.455 2.759 20 5 FFBDLO Cn1c2c(cccc2F)[nH+]c1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000443520111 513985638 /nfs/dbraw/zinc/98/56/38/513985638.db2.gz YMDMHVRPZQCDIM-UHFFFAOYSA-N 1 2 355.373 2.947 20 5 FFBDLO Cc1cc(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)nc(-c2ccncc2)[nH+]1 ZINC000443965363 514085245 /nfs/dbraw/zinc/08/52/45/514085245.db2.gz RLSNIFSDVHFGAX-UHFFFAOYSA-N 1 2 361.365 2.666 20 5 FFBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444325748 514194087 /nfs/dbraw/zinc/19/40/87/514194087.db2.gz AZTSIDDXQICPAB-AWEZNQCLSA-N 1 2 358.401 2.623 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000452655147 514444540 /nfs/dbraw/zinc/44/45/40/514444540.db2.gz FRTQPDXEARAEIC-RKVPGOIHSA-N 1 2 370.409 2.546 20 5 FFBDLO O=[N+]([O-])c1nn(Cc2c[nH+]cn2Cc2ccccc2)cc1Br ZINC000445603459 514498482 /nfs/dbraw/zinc/49/84/82/514498482.db2.gz CYLKXFDIWIQMJV-UHFFFAOYSA-N 1 2 362.187 2.847 20 5 FFBDLO CN(CCC1CCOCC1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450106751 514499210 /nfs/dbraw/zinc/49/92/10/514499210.db2.gz URXSQCXRVMSODT-UHFFFAOYSA-N 1 2 358.398 2.669 20 5 FFBDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000450178069 514524192 /nfs/dbraw/zinc/52/41/92/514524192.db2.gz ZXNBAAYSHHCZGG-SECBINFHSA-N 1 2 354.288 2.624 20 5 FFBDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000450178069 514524203 /nfs/dbraw/zinc/52/42/03/514524203.db2.gz ZXNBAAYSHHCZGG-SECBINFHSA-N 1 2 354.288 2.624 20 5 FFBDLO CC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1[nH]cc[nH+]1 ZINC000470701540 514579843 /nfs/dbraw/zinc/57/98/43/514579843.db2.gz OXUNWQBDZCHYOM-LBPRGKRZSA-N 1 2 367.203 2.890 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)Cc1cccc(C)n1 ZINC000471198208 514794570 /nfs/dbraw/zinc/79/45/70/514794570.db2.gz CPYXPYPHQFQJMO-ZDUSSCGKSA-N 1 2 358.398 2.766 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)Cc1cccc(C)n1 ZINC000471198208 514794579 /nfs/dbraw/zinc/79/45/79/514794579.db2.gz CPYXPYPHQFQJMO-ZDUSSCGKSA-N 1 2 358.398 2.766 20 5 FFBDLO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000471207061 514798734 /nfs/dbraw/zinc/79/87/34/514798734.db2.gz IPEVLTORIBMCEO-HNNXBMFYSA-N 1 2 368.455 2.863 20 5 FFBDLO COC(=O)C[C@H]1CSCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000471207061 514798743 /nfs/dbraw/zinc/79/87/43/514798743.db2.gz IPEVLTORIBMCEO-HNNXBMFYSA-N 1 2 368.455 2.863 20 5 FFBDLO O=[N+]([O-])c1ccc(OC2C[NH+](C[C@@H](O)Cc3cccc(Cl)c3)C2)cc1 ZINC000489484302 514865309 /nfs/dbraw/zinc/86/53/09/514865309.db2.gz QMJTWLCLPDIRDS-INIZCTEOSA-N 1 2 362.813 2.915 20 5 FFBDLO COc1cc(C[NH2+][C@@H](c2nc(C)no2)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000498355086 514878179 /nfs/dbraw/zinc/87/81/79/514878179.db2.gz SWDMHGAUPBRYDI-MRXNPFEDSA-N 1 2 362.386 2.552 20 5 FFBDLO Cc1nc(C[NH+]2CCN(c3ncnc4cccc([N+](=O)[O-])c43)CC2)cs1 ZINC000509071114 515011547 /nfs/dbraw/zinc/01/15/47/515011547.db2.gz VQYJIZMAZODXRI-UHFFFAOYSA-N 1 2 370.438 2.625 20 5 FFBDLO CC(C)COCCCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000472043143 515097478 /nfs/dbraw/zinc/09/74/78/515097478.db2.gz OSPYZCYMINVJGM-UHFFFAOYSA-N 1 2 351.447 2.902 20 5 FFBDLO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)c2[nH+]ccn21 ZINC000456393924 515152154 /nfs/dbraw/zinc/15/21/54/515152154.db2.gz RSVGFMFBIOKAES-UFBFGSQYSA-N 1 2 365.187 2.990 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCOCC12CCCCC2 ZINC000456515296 515230429 /nfs/dbraw/zinc/23/04/29/515230429.db2.gz DJEJVDNBCGAZHF-UHFFFAOYSA-N 1 2 370.409 2.956 20 5 FFBDLO O=C([C@@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1)N1CCCC1 ZINC000509684647 515289657 /nfs/dbraw/zinc/28/96/57/515289657.db2.gz MBOVFJPTJJJJMM-GFCCVEGCSA-N 1 2 353.369 2.707 20 5 FFBDLO O=C([C@@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1)N1CCCC1 ZINC000509684647 515289667 /nfs/dbraw/zinc/28/96/67/515289667.db2.gz MBOVFJPTJJJJMM-GFCCVEGCSA-N 1 2 353.369 2.707 20 5 FFBDLO CC(C)[C@@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)N1CC[NH+](C)CC1 ZINC000462920558 515300471 /nfs/dbraw/zinc/30/04/71/515300471.db2.gz ZVJRWRJUKSYDOA-OAHLLOKOSA-N 1 2 372.416 2.880 20 5 FFBDLO CNc1c(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cccc1[N+](=O)[O-] ZINC000462932544 515304612 /nfs/dbraw/zinc/30/46/12/515304612.db2.gz SOIVFINBABKPNK-UHFFFAOYSA-N 1 2 370.409 2.721 20 5 FFBDLO Cn1c(C(=O)NCc2ccc3c(c2)[nH+]c(C2CC2)n3C)ccc1[N+](=O)[O-] ZINC000510657834 515626843 /nfs/dbraw/zinc/62/68/43/515626843.db2.gz LQWVNWUORHWLQI-UHFFFAOYSA-N 1 2 353.382 2.627 20 5 FFBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000469309859 515764001 /nfs/dbraw/zinc/76/40/01/515764001.db2.gz ZIPVZBPFOKVUNQ-QGZVFWFLSA-N 1 2 366.377 2.624 20 5 FFBDLO C[C@@H]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1n1cc[nH+]c1 ZINC000469314100 515766312 /nfs/dbraw/zinc/76/63/12/515766312.db2.gz WNHHXMKOLVNZCK-IUODEOHRSA-N 1 2 354.370 2.929 20 5 FFBDLO O=[N+]([O-])c1cc(C[N@H+](CCO)Cc2cccc(F)c2)c2c(c1)COCO2 ZINC000494291282 515800338 /nfs/dbraw/zinc/80/03/38/515800338.db2.gz UXVGILPAPQNMKT-UHFFFAOYSA-N 1 2 362.357 2.595 20 5 FFBDLO O=[N+]([O-])c1cc(C[N@@H+](CCO)Cc2cccc(F)c2)c2c(c1)COCO2 ZINC000494291282 515800346 /nfs/dbraw/zinc/80/03/46/515800346.db2.gz UXVGILPAPQNMKT-UHFFFAOYSA-N 1 2 362.357 2.595 20 5 FFBDLO COc1cc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC000459887449 515872183 /nfs/dbraw/zinc/87/21/83/515872183.db2.gz PVMYGTQQBYIZEA-KRWDZBQOSA-N 1 2 373.384 2.871 20 5 FFBDLO COc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC000459887449 515872190 /nfs/dbraw/zinc/87/21/90/515872190.db2.gz PVMYGTQQBYIZEA-KRWDZBQOSA-N 1 2 373.384 2.871 20 5 FFBDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454981681 515873545 /nfs/dbraw/zinc/87/35/45/515873545.db2.gz XVTMEPSZMQTQNK-LSDHHAIUSA-N 1 2 369.425 2.764 20 5 FFBDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454981681 515873551 /nfs/dbraw/zinc/87/35/51/515873551.db2.gz XVTMEPSZMQTQNK-LSDHHAIUSA-N 1 2 369.425 2.764 20 5 FFBDLO O=C(C[N@@H+]1CCC[C@H]2COCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000464856723 515993286 /nfs/dbraw/zinc/99/32/86/515993286.db2.gz RKVIXMNJKLTYKT-XHDPSFHLSA-N 1 2 353.806 2.688 20 5 FFBDLO O=C(C[N@H+]1CCC[C@H]2COCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000464856723 515993298 /nfs/dbraw/zinc/99/32/98/515993298.db2.gz RKVIXMNJKLTYKT-XHDPSFHLSA-N 1 2 353.806 2.688 20 5 FFBDLO Cn1cc(C(=O)Nc2cccc3[nH+]ccn32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000460324611 516116443 /nfs/dbraw/zinc/11/64/43/516116443.db2.gz MMGBIYRWZXQCTH-UHFFFAOYSA-N 1 2 362.349 2.895 20 5 FFBDLO O=[N+]([O-])c1cnc2ccccc2c1NCc1[nH+]ccn1CC(F)(F)F ZINC000488123056 516125114 /nfs/dbraw/zinc/12/51/14/516125114.db2.gz INZXBGPBJHICKB-UHFFFAOYSA-N 1 2 351.288 2.936 20 5 FFBDLO CCN(CC)c1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2OC)c[nH+]1 ZINC000474902453 516230297 /nfs/dbraw/zinc/23/02/97/516230297.db2.gz UYWZFWZSRHPQKC-UHFFFAOYSA-N 1 2 358.398 2.775 20 5 FFBDLO COc1cc(C[N@H+](C)Cc2c([N+](=O)[O-])ncn2C)ccc1OC(F)F ZINC000531342580 516418641 /nfs/dbraw/zinc/41/86/41/516418641.db2.gz FUOZRUWURANKKS-UHFFFAOYSA-N 1 2 356.329 2.570 20 5 FFBDLO COc1cc(C[N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)ccc1OC(F)F ZINC000531342580 516418646 /nfs/dbraw/zinc/41/86/46/516418646.db2.gz FUOZRUWURANKKS-UHFFFAOYSA-N 1 2 356.329 2.570 20 5 FFBDLO O=C(NCc1cc(F)ccc1F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000517835548 516464943 /nfs/dbraw/zinc/46/49/43/516464943.db2.gz KIRUCQCVXXRWCY-UHFFFAOYSA-N 1 2 358.304 2.989 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCc2[nH+]ccn2CC(F)(F)F)c1 ZINC000543899946 516487224 /nfs/dbraw/zinc/48/72/24/516487224.db2.gz DBYQQYMBUNQUOO-UHFFFAOYSA-N 1 2 358.276 2.752 20 5 FFBDLO CC[N@H+](CC(=O)N1CCCCCC1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000513197048 516515473 /nfs/dbraw/zinc/51/54/73/516515473.db2.gz STLASBIZAVWVSD-UHFFFAOYSA-N 1 2 360.414 2.961 20 5 FFBDLO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000513197048 516515484 /nfs/dbraw/zinc/51/54/84/516515484.db2.gz STLASBIZAVWVSD-UHFFFAOYSA-N 1 2 360.414 2.961 20 5 FFBDLO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1c(F)cncc1F ZINC000513260742 516547150 /nfs/dbraw/zinc/54/71/50/516547150.db2.gz JYLKQMRHLZDGPX-ZUZCIYMTSA-N 1 2 362.336 2.724 20 5 FFBDLO O=[N+]([O-])c1ccccc1NCc1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000544103108 516582627 /nfs/dbraw/zinc/58/26/27/516582627.db2.gz WGEUVYJZHUAIMM-UHFFFAOYSA-N 1 2 350.338 2.828 20 5 FFBDLO COc1ccc(-c2ccc(C[N@@H+]3CCNC(=O)[C@H]3C(C)C)o2)c([N+](=O)[O-])c1 ZINC000513391951 516601595 /nfs/dbraw/zinc/60/15/95/516601595.db2.gz IFFZOGSYUJQRKC-GOSISDBHSA-N 1 2 373.409 2.820 20 5 FFBDLO COc1ccc(-c2ccc(C[N@H+]3CCNC(=O)[C@H]3C(C)C)o2)c([N+](=O)[O-])c1 ZINC000513391951 516601602 /nfs/dbraw/zinc/60/16/02/516601602.db2.gz IFFZOGSYUJQRKC-GOSISDBHSA-N 1 2 373.409 2.820 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](NCc1cn2ccsc2n1)c1cccc([N+](=O)[O-])c1 ZINC000513673693 516714935 /nfs/dbraw/zinc/71/49/35/516714935.db2.gz WBYSZSKNYNGWFI-HNNXBMFYSA-N 1 2 368.422 2.917 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NCc1cn2ccsc2n1)c1cccc([N+](=O)[O-])c1 ZINC000513673694 516716253 /nfs/dbraw/zinc/71/62/53/516716253.db2.gz WBYSZSKNYNGWFI-OAHLLOKOSA-N 1 2 368.422 2.917 20 5 FFBDLO Cc1nn(CCC(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)c(C)c1[N+](=O)[O-] ZINC000540853591 516737431 /nfs/dbraw/zinc/73/74/31/516737431.db2.gz SVHVDKPHFWRYMY-UHFFFAOYSA-N 1 2 368.397 2.505 20 5 FFBDLO O=C1[C@H]([N@@H+]2CCO[C@@H](C3CCCCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000544565697 516817322 /nfs/dbraw/zinc/81/73/22/516817322.db2.gz YQMWWYYMJLVRFD-RTBURBONSA-N 1 2 373.453 2.981 20 5 FFBDLO O=C1[C@H]([N@H+]2CCO[C@@H](C3CCCCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000544565697 516817329 /nfs/dbraw/zinc/81/73/29/516817329.db2.gz YQMWWYYMJLVRFD-RTBURBONSA-N 1 2 373.453 2.981 20 5 FFBDLO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513995722 516825051 /nfs/dbraw/zinc/82/50/51/516825051.db2.gz ZZEFBSNSFRBRPL-INIZCTEOSA-N 1 2 374.828 2.833 20 5 FFBDLO CC(C)(NC(=O)c1cc(-n2cc[nH+]c2)ccn1)c1ccc([N+](=O)[O-])cc1 ZINC000536655038 516874887 /nfs/dbraw/zinc/87/48/87/516874887.db2.gz AVGPWENXTIANSS-UHFFFAOYSA-N 1 2 351.366 2.841 20 5 FFBDLO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541239235 516946402 /nfs/dbraw/zinc/94/64/02/516946402.db2.gz ZUHJWJJSRWBAGW-UHFFFAOYSA-N 1 2 357.414 2.706 20 5 FFBDLO O=[N+]([O-])c1cccc(OC[C@H](O)COc2ccccc2-n2cc[nH+]c2)c1 ZINC000555580949 516991290 /nfs/dbraw/zinc/99/12/90/516991290.db2.gz OITRNYRUDPASCL-HNNXBMFYSA-N 1 2 355.350 2.599 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCNC(=O)[C@@H]1Cc1ccccc1 ZINC000555591496 516998387 /nfs/dbraw/zinc/99/83/87/516998387.db2.gz YYBAXSXGMFXQCQ-SFHVURJKSA-N 1 2 369.421 2.537 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCNC(=O)[C@@H]1Cc1ccccc1 ZINC000555591496 516998397 /nfs/dbraw/zinc/99/83/97/516998397.db2.gz YYBAXSXGMFXQCQ-SFHVURJKSA-N 1 2 369.421 2.537 20 5 FFBDLO CC(C)CN(C(=O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)C(C)C ZINC000533236262 517359659 /nfs/dbraw/zinc/35/96/59/517359659.db2.gz XNFFQAXNBZLKBC-UHFFFAOYSA-N 1 2 362.474 2.610 20 5 FFBDLO Cc1ccnc(OC2CC[NH+](CC(=O)Nc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000542051500 517360895 /nfs/dbraw/zinc/36/08/95/517360895.db2.gz LTOPQPFRGWBUSA-UHFFFAOYSA-N 1 2 370.409 2.780 20 5 FFBDLO Cc1c(C[NH+]2CCN(Cc3noc(C(C)(C)C)n3)CC2)cccc1[N+](=O)[O-] ZINC000533378325 517434432 /nfs/dbraw/zinc/43/44/32/517434432.db2.gz GXJXZIKIINQPSG-UHFFFAOYSA-N 1 2 373.457 2.902 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(OC(C)C)CC1 ZINC000533475455 517482173 /nfs/dbraw/zinc/48/21/73/517482173.db2.gz MJKFRNWBMJSLRO-CYBMUJFWSA-N 1 2 365.430 2.820 20 5 FFBDLO CC(C)(C(=O)NCC1CC[NH+](CC(F)F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000563404274 517882865 /nfs/dbraw/zinc/88/28/65/517882865.db2.gz VUNTUDYEVMAHSO-UHFFFAOYSA-N 1 2 369.412 2.966 20 5 FFBDLO CC(C)[C@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000550188613 517917811 /nfs/dbraw/zinc/91/78/11/517917811.db2.gz RSPJLWNVSQKQTE-OAHLLOKOSA-N 1 2 355.822 2.934 20 5 FFBDLO CC(C)[C@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000550188613 517917818 /nfs/dbraw/zinc/91/78/18/517917818.db2.gz RSPJLWNVSQKQTE-OAHLLOKOSA-N 1 2 355.822 2.934 20 5 FFBDLO CN(Cc1[nH+]ccn1C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000543126235 517921553 /nfs/dbraw/zinc/92/15/53/517921553.db2.gz RKDZPKVUIDURIK-UHFFFAOYSA-N 1 2 354.819 2.732 20 5 FFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000517199015 518057915 /nfs/dbraw/zinc/05/79/15/518057915.db2.gz DOZOKHYPEWAYRQ-CYBMUJFWSA-N 1 2 369.377 2.795 20 5 FFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000517199015 518057925 /nfs/dbraw/zinc/05/79/25/518057925.db2.gz DOZOKHYPEWAYRQ-CYBMUJFWSA-N 1 2 369.377 2.795 20 5 FFBDLO O=[N+]([O-])c1cccc2ncnc(NCc3cccc(Cn4cc[nH+]c4)c3)c21 ZINC000543449200 518096583 /nfs/dbraw/zinc/09/65/83/518096583.db2.gz FYWQJICBODCZDF-UHFFFAOYSA-N 1 2 360.377 2.817 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H]1C1CCOCC1 ZINC000539720877 518149581 /nfs/dbraw/zinc/14/95/81/518149581.db2.gz HECCIZPHUGYHSL-INIZCTEOSA-N 1 2 370.409 2.812 20 5 FFBDLO COc1cccc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000569740748 518268185 /nfs/dbraw/zinc/26/81/85/518268185.db2.gz CPFQWDWUAFEGFR-UHFFFAOYSA-N 1 2 366.377 2.778 20 5 FFBDLO CC(C)(C)OC(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000566977457 518294391 /nfs/dbraw/zinc/29/43/91/518294391.db2.gz VZWSWWYPXFNMAF-UHFFFAOYSA-N 1 2 350.415 2.918 20 5 FFBDLO CC(C)(C)OC(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000566977457 518294394 /nfs/dbraw/zinc/29/43/94/518294394.db2.gz VZWSWWYPXFNMAF-UHFFFAOYSA-N 1 2 350.415 2.918 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000564132032 518317704 /nfs/dbraw/zinc/31/77/04/518317704.db2.gz ZMKUHRGIMXWUFE-JXFKEZNVSA-N 1 2 368.437 2.877 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000564132032 518317708 /nfs/dbraw/zinc/31/77/08/518317708.db2.gz ZMKUHRGIMXWUFE-JXFKEZNVSA-N 1 2 368.437 2.877 20 5 FFBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2C[N@H+](C)CCN2C)no1 ZINC000564247428 518368448 /nfs/dbraw/zinc/36/84/48/518368448.db2.gz WYZICCVRFWTHOB-ZBFHGGJFSA-N 1 2 359.430 2.632 20 5 FFBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2C[N@@H+](C)CCN2C)no1 ZINC000564247428 518368454 /nfs/dbraw/zinc/36/84/54/518368454.db2.gz WYZICCVRFWTHOB-ZBFHGGJFSA-N 1 2 359.430 2.632 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000579650324 518780737 /nfs/dbraw/zinc/78/07/37/518780737.db2.gz COWCKBGXPWSGJC-QAPCUYQASA-N 1 2 359.426 2.875 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000579650324 518780743 /nfs/dbraw/zinc/78/07/43/518780743.db2.gz COWCKBGXPWSGJC-QAPCUYQASA-N 1 2 359.426 2.875 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000579650323 518780792 /nfs/dbraw/zinc/78/07/92/518780792.db2.gz COWCKBGXPWSGJC-MAUKXSAKSA-N 1 2 359.426 2.875 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000579650323 518780797 /nfs/dbraw/zinc/78/07/97/518780797.db2.gz COWCKBGXPWSGJC-MAUKXSAKSA-N 1 2 359.426 2.875 20 5 FFBDLO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000570942180 518854333 /nfs/dbraw/zinc/85/43/33/518854333.db2.gz UIHMBDOZTDKMKK-SNVBAGLBSA-N 1 2 350.400 2.547 20 5 FFBDLO Cc1cc(NCc2cn(C(C)C)nn2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000573862395 518870495 /nfs/dbraw/zinc/87/04/95/518870495.db2.gz KIJBREVVRRVTCS-UHFFFAOYSA-N 1 2 353.386 2.567 20 5 FFBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC3(CCC3)[C@@H]1[C@H]1CCCO1)OCCO2 ZINC000589521200 519023208 /nfs/dbraw/zinc/02/32/08/519023208.db2.gz JWCIETNCYCOTHX-QAPCUYQASA-N 1 2 360.410 2.900 20 5 FFBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC3(CCC3)[C@@H]1[C@H]1CCCO1)OCCO2 ZINC000589521200 519023214 /nfs/dbraw/zinc/02/32/14/519023214.db2.gz JWCIETNCYCOTHX-QAPCUYQASA-N 1 2 360.410 2.900 20 5 FFBDLO O=[N+]([O-])c1cc2c(nc1N1CC[NH+](Cc3cccnc3)CC1)CCCC2 ZINC000583260183 519159142 /nfs/dbraw/zinc/15/91/42/519159142.db2.gz WYRMRPFUBYJUSJ-UHFFFAOYSA-N 1 2 353.426 2.586 20 5 FFBDLO O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)c1n[nH]cc1[N+](=O)[O-] ZINC000590539054 519258980 /nfs/dbraw/zinc/25/89/80/519258980.db2.gz UONBOPWKKZMECG-UHFFFAOYSA-N 1 2 352.354 2.770 20 5 FFBDLO Nc1ccc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)nc1[N+](=O)[O-] ZINC000590583460 519275397 /nfs/dbraw/zinc/27/53/97/519275397.db2.gz XVIPIBSZHPVHMY-UHFFFAOYSA-N 1 2 364.409 2.574 20 5 FFBDLO C[C@H](Nc1ncc([N+](=O)[O-])cc1F)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000591147522 519529771 /nfs/dbraw/zinc/52/97/71/519529771.db2.gz SXTVCXAMPMUEES-GUYCJALGSA-N 1 2 360.389 2.830 20 5 FFBDLO C[C@H](Nc1ncc([N+](=O)[O-])cc1F)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000591147522 519529779 /nfs/dbraw/zinc/52/97/79/519529779.db2.gz SXTVCXAMPMUEES-GUYCJALGSA-N 1 2 360.389 2.830 20 5 FFBDLO O=[N+]([O-])c1ccc([O-])cc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000572345491 519566487 /nfs/dbraw/zinc/56/64/87/519566487.db2.gz NPBSXJJPEGHUFE-UHFFFAOYSA-N 1 2 363.458 2.625 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](c2cccnc2)C1 ZINC000602852182 519924202 /nfs/dbraw/zinc/92/42/02/519924202.db2.gz DKPGYCALDYUGLZ-HNNXBMFYSA-N 1 2 370.409 2.817 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](c2cccnc2)C1 ZINC000602852182 519924205 /nfs/dbraw/zinc/92/42/05/519924205.db2.gz DKPGYCALDYUGLZ-HNNXBMFYSA-N 1 2 370.409 2.817 20 5 FFBDLO C[C@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000594513544 520010005 /nfs/dbraw/zinc/01/00/05/520010005.db2.gz ZSIBVANSCZEMRS-CJNGLKHVSA-N 1 2 374.441 2.985 20 5 FFBDLO C[C@H](CNc1ncc(Br)cc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594591209 520042404 /nfs/dbraw/zinc/04/24/04/520042404.db2.gz HXXWWMYAZRVVCD-MXWKQRLJSA-N 1 2 373.251 2.662 20 5 FFBDLO C[C@H](CNc1ncc(Br)cc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594591209 520042409 /nfs/dbraw/zinc/04/24/09/520042409.db2.gz HXXWWMYAZRVVCD-MXWKQRLJSA-N 1 2 373.251 2.662 20 5 FFBDLO COC(=O)[C@H](C[C@H]1CCCOC1)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000600204312 520122814 /nfs/dbraw/zinc/12/28/14/520122814.db2.gz ABONJAILPMWVLB-UXLLHSPISA-N 1 2 364.442 2.864 20 5 FFBDLO CCOc1cc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])cc1OC ZINC000609025682 520180326 /nfs/dbraw/zinc/18/03/26/520180326.db2.gz XLNALWZVWDJKGD-LBPRGKRZSA-N 1 2 374.397 2.745 20 5 FFBDLO CCN(CCOC)c1cccc(Cn2nc(C)c3cc([N+](=O)[O-])cnc32)[nH+]1 ZINC000603329524 520219038 /nfs/dbraw/zinc/21/90/38/520219038.db2.gz VSSWXBRQPGICCQ-UHFFFAOYSA-N 1 2 370.413 2.564 20 5 FFBDLO CCOc1cccc(N2CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)n1 ZINC000609314339 520274267 /nfs/dbraw/zinc/27/42/67/520274267.db2.gz GGMVOECWZFXGAU-UHFFFAOYSA-N 1 2 360.389 2.850 20 5 FFBDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609442881 520313214 /nfs/dbraw/zinc/31/32/14/520313214.db2.gz QNIZLNZBLGAYRW-UHFFFAOYSA-N 1 2 358.304 2.989 20 5 FFBDLO O=C(N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000609530150 520344118 /nfs/dbraw/zinc/34/41/18/520344118.db2.gz VBYDMFFPJQKVNQ-NSHDSACASA-N 1 2 364.352 2.596 20 5 FFBDLO O=C(N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000609530150 520344123 /nfs/dbraw/zinc/34/41/23/520344123.db2.gz VBYDMFFPJQKVNQ-NSHDSACASA-N 1 2 364.352 2.596 20 5 FFBDLO Cc1nccc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000603834469 520370636 /nfs/dbraw/zinc/37/06/36/520370636.db2.gz VSKJVNQENALEKM-UKRRQHHQSA-N 1 2 369.425 2.900 20 5 FFBDLO Cc1nccc([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000603834469 520370639 /nfs/dbraw/zinc/37/06/39/520370639.db2.gz VSKJVNQENALEKM-UKRRQHHQSA-N 1 2 369.425 2.900 20 5 FFBDLO Cc1noc(CN(Cc2ccccc2)[C@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000595311461 520402324 /nfs/dbraw/zinc/40/23/24/520402324.db2.gz KKXYNXQCXXSGGK-OAHLLOKOSA-N 1 2 374.441 2.614 20 5 FFBDLO Cc1noc(C[N@H+](Cc2ccccc2)[C@H](C)CN2CCOCC2)c1[N+](=O)[O-] ZINC000595311461 520402327 /nfs/dbraw/zinc/40/23/27/520402327.db2.gz KKXYNXQCXXSGGK-OAHLLOKOSA-N 1 2 374.441 2.614 20 5 FFBDLO Cc1noc(C[N@@H+](Cc2ccccc2)[C@H](C)CN2CCOCC2)c1[N+](=O)[O-] ZINC000595311461 520402332 /nfs/dbraw/zinc/40/23/32/520402332.db2.gz KKXYNXQCXXSGGK-OAHLLOKOSA-N 1 2 374.441 2.614 20 5 FFBDLO COCC1(C2CCC2)CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000598061695 520404860 /nfs/dbraw/zinc/40/48/60/520404860.db2.gz FQIIASQAPGOIQS-UHFFFAOYSA-N 1 2 370.409 2.669 20 5 FFBDLO COCCCCNc1ccc(-c2ccc(C(=O)OC)cc2[N+](=O)[O-])c[nH+]1 ZINC000600782997 520467441 /nfs/dbraw/zinc/46/74/41/520467441.db2.gz BGZSVBKBPGJWRT-UHFFFAOYSA-N 1 2 359.382 2.704 20 5 FFBDLO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000598195831 520487823 /nfs/dbraw/zinc/48/78/23/520487823.db2.gz UHBXDUMVTXMFPS-MRXNPFEDSA-N 1 2 369.421 2.689 20 5 FFBDLO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000598195831 520487827 /nfs/dbraw/zinc/48/78/27/520487827.db2.gz UHBXDUMVTXMFPS-MRXNPFEDSA-N 1 2 369.421 2.689 20 5 FFBDLO COC(=O)C[C@](C)([NH2+]Cc1onc(C)c1[N+](=O)[O-])c1cccc(F)c1 ZINC000595484161 520499877 /nfs/dbraw/zinc/49/98/77/520499877.db2.gz OCWXRFGHCNKJGP-INIZCTEOSA-N 1 2 351.334 2.598 20 5 FFBDLO O=C(NCCc1ccccc1[N+](=O)[O-])NCc1ccc[nH+]c1N1CCCC1 ZINC000595524160 520528972 /nfs/dbraw/zinc/52/89/72/520528972.db2.gz YPNVKMZSCPGUHF-UHFFFAOYSA-N 1 2 369.425 2.632 20 5 FFBDLO COCC[N@H+](Cc1c(C)nn(C)c1C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595529454 520530782 /nfs/dbraw/zinc/53/07/82/520530782.db2.gz ITMOXNJERHSKHT-UHFFFAOYSA-N 1 2 350.394 2.733 20 5 FFBDLO COCC[N@@H+](Cc1c(C)nn(C)c1C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595529454 520530787 /nfs/dbraw/zinc/53/07/87/520530787.db2.gz ITMOXNJERHSKHT-UHFFFAOYSA-N 1 2 350.394 2.733 20 5 FFBDLO Cc1noc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCOCC2)c1[N+](=O)[O-] ZINC000595550587 520547261 /nfs/dbraw/zinc/54/72/61/520547261.db2.gz VOZCGVQVYGUOQD-KRWDZBQOSA-N 1 2 361.398 2.511 20 5 FFBDLO Cc1cccc2[nH+]c(CCNC(=O)CCOc3ccccc3[N+](=O)[O-])cn21 ZINC000592746223 520555909 /nfs/dbraw/zinc/55/59/09/520555909.db2.gz RCGPJNFTZYLLKA-UHFFFAOYSA-N 1 2 368.393 2.679 20 5 FFBDLO COc1cc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000604565950 520607232 /nfs/dbraw/zinc/60/72/32/520607232.db2.gz VGDGDTFLMWXQLI-QGZVFWFLSA-N 1 2 366.377 2.856 20 5 FFBDLO O=C1C[C@@H]([NH+]2CCC(C(F)(F)F)CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000610259364 520608578 /nfs/dbraw/zinc/60/85/78/520608578.db2.gz RFFJVRYGFXNEKY-CYBMUJFWSA-N 1 2 371.315 2.501 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCc2ccc(C)cc2C1 ZINC000595656536 520627668 /nfs/dbraw/zinc/62/76/68/520627668.db2.gz BDDBWVJPBSATPY-UHFFFAOYSA-N 1 2 355.394 2.909 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCc2ccc(C)cc2C1 ZINC000595656536 520627673 /nfs/dbraw/zinc/62/76/73/520627673.db2.gz BDDBWVJPBSATPY-UHFFFAOYSA-N 1 2 355.394 2.909 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)c1 ZINC000595822350 520747672 /nfs/dbraw/zinc/74/76/72/520747672.db2.gz RNRLOMWWZZYHCI-UHFFFAOYSA-N 1 2 360.410 2.772 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)c1 ZINC000595822350 520747680 /nfs/dbraw/zinc/74/76/80/520747680.db2.gz RNRLOMWWZZYHCI-UHFFFAOYSA-N 1 2 360.410 2.772 20 5 FFBDLO CC[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H](CC)CN1C(C)=O ZINC000610605492 520762101 /nfs/dbraw/zinc/76/21/01/520762101.db2.gz UIJYUAQTVQKAKV-KBPBESRZSA-N 1 2 360.414 2.957 20 5 FFBDLO CC[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H](CC)CN1C(C)=O ZINC000610605492 520762106 /nfs/dbraw/zinc/76/21/06/520762106.db2.gz UIJYUAQTVQKAKV-KBPBESRZSA-N 1 2 360.414 2.957 20 5 FFBDLO COc1ccc(OCC[N@@H+]2C[C@@H](C)O[C@@](C)(C(F)F)C2)c([N+](=O)[O-])c1 ZINC000595920932 520825683 /nfs/dbraw/zinc/82/56/83/520825683.db2.gz VCHNARGXBQXNOD-BDJLRTHQSA-N 1 2 360.357 2.727 20 5 FFBDLO COc1ccc(OCC[N@H+]2C[C@@H](C)O[C@@](C)(C(F)F)C2)c([N+](=O)[O-])c1 ZINC000595920932 520825690 /nfs/dbraw/zinc/82/56/90/520825690.db2.gz VCHNARGXBQXNOD-BDJLRTHQSA-N 1 2 360.357 2.727 20 5 FFBDLO CC(C)c1n[nH]c(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000610917228 520904265 /nfs/dbraw/zinc/90/42/65/520904265.db2.gz LGNRVOJXWLXKQX-AWEZNQCLSA-N 1 2 357.414 2.570 20 5 FFBDLO CC(C)c1n[nH]c(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000610917228 520904270 /nfs/dbraw/zinc/90/42/70/520904270.db2.gz LGNRVOJXWLXKQX-AWEZNQCLSA-N 1 2 357.414 2.570 20 5 FFBDLO CC(C)c1[nH]nc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000610917228 520904275 /nfs/dbraw/zinc/90/42/75/520904275.db2.gz LGNRVOJXWLXKQX-AWEZNQCLSA-N 1 2 357.414 2.570 20 5 FFBDLO CC(C)c1[nH]nc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000610917228 520904282 /nfs/dbraw/zinc/90/42/82/520904282.db2.gz LGNRVOJXWLXKQX-AWEZNQCLSA-N 1 2 357.414 2.570 20 5 FFBDLO COC(=O)c1c(Cl)c(N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000596114682 520921750 /nfs/dbraw/zinc/92/17/50/520921750.db2.gz MTGOPNKZCBDZET-WDEREUQCSA-N 1 2 371.821 2.556 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000601729946 520923331 /nfs/dbraw/zinc/92/33/31/520923331.db2.gz RAVSLHBAMCZKEB-UHFFFAOYSA-N 1 2 355.394 2.567 20 5 FFBDLO Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cc1[N+](=O)[O-] ZINC000601850743 520986615 /nfs/dbraw/zinc/98/66/15/520986615.db2.gz FSBZKJFQWSTFRO-UHFFFAOYSA-N 1 2 372.450 2.781 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)nccc2NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000593459071 521007236 /nfs/dbraw/zinc/00/72/36/521007236.db2.gz WTXXGEYNMPQUMD-UHFFFAOYSA-N 1 2 365.393 2.987 20 5 FFBDLO CCOC(=O)[C@]1(COC)CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599075722 521017767 /nfs/dbraw/zinc/01/77/67/521017767.db2.gz YTNMHDYSVYLPMK-LJQANCHMSA-N 1 2 373.409 2.939 20 5 FFBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCO[C@H](C(F)F)CC2)cccc1[N+](=O)[O-] ZINC000601977124 521053741 /nfs/dbraw/zinc/05/37/41/521053741.db2.gz RLKDCRSUJRWGKM-RISCZKNCSA-N 1 2 357.357 2.586 20 5 FFBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCO[C@H](C(F)F)CC2)cccc1[N+](=O)[O-] ZINC000601977124 521053749 /nfs/dbraw/zinc/05/37/49/521053749.db2.gz RLKDCRSUJRWGKM-RISCZKNCSA-N 1 2 357.357 2.586 20 5 FFBDLO Cc1cc(NCC(O)(C2CC2)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596495450 521098789 /nfs/dbraw/zinc/09/87/89/521098789.db2.gz XNDCQQHAHQGQPQ-UHFFFAOYSA-N 1 2 354.410 2.745 20 5 FFBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000602055664 521108296 /nfs/dbraw/zinc/10/82/96/521108296.db2.gz DNXCSOBIWAKVGV-ZDUSSCGKSA-N 1 2 356.304 2.943 20 5 FFBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cc3cnccc3o2)CC1 ZINC000593630635 521119626 /nfs/dbraw/zinc/11/96/26/521119626.db2.gz XSLPCDWZBOZRTR-UHFFFAOYSA-N 1 2 366.377 2.694 20 5 FFBDLO CC1(C)Cc2n[nH]cc2C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000596597683 521157790 /nfs/dbraw/zinc/15/77/90/521157790.db2.gz XELLDQLDPYALCJ-KRWDZBQOSA-N 1 2 369.425 2.508 20 5 FFBDLO CC1(C)Cc2n[nH]cc2C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000596597683 521157797 /nfs/dbraw/zinc/15/77/97/521157797.db2.gz XELLDQLDPYALCJ-KRWDZBQOSA-N 1 2 369.425 2.508 20 5 FFBDLO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000611513596 521196858 /nfs/dbraw/zinc/19/68/58/521196858.db2.gz HWODMTPWENKXRQ-GFCCVEGCSA-N 1 2 366.324 2.870 20 5 FFBDLO Cc1ncc([C@H](C)[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(C)n1 ZINC000614963252 521214378 /nfs/dbraw/zinc/21/43/78/521214378.db2.gz ZESQDZDABPKYEX-AWEZNQCLSA-N 1 2 369.425 2.521 20 5 FFBDLO CC(C)c1[nH+]c2c(n1C)CCN(c1ncnc3cccc([N+](=O)[O-])c31)C2 ZINC000611565024 521221613 /nfs/dbraw/zinc/22/16/13/521221613.db2.gz UCFHIDISBYDBCL-UHFFFAOYSA-N 1 2 352.398 2.958 20 5 FFBDLO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000611640650 521261601 /nfs/dbraw/zinc/26/16/01/521261601.db2.gz BZFJHFPCBHAELI-LBPRGKRZSA-N 1 2 366.324 2.870 20 5 FFBDLO COC(=O)C1C[C@@H](C)[NH+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000599689685 521405493 /nfs/dbraw/zinc/40/54/93/521405493.db2.gz SGKRDPSJTZZNDZ-CHWSQXEVSA-N 1 2 363.414 2.504 20 5 FFBDLO Nc1c(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597094340 521499233 /nfs/dbraw/zinc/49/92/33/521499233.db2.gz DVKBZNVEJCGPOU-SECBINFHSA-N 1 2 364.793 2.965 20 5 FFBDLO COc1ccc(-c2ccc(C[N@@H+]3CC[C@H](O)[C@H](F)C3)o2)c([N+](=O)[O-])c1 ZINC000898192658 735324724 /nfs/dbraw/zinc/32/47/24/735324724.db2.gz LFALKPQXVUXXHK-ZBFHGGJFSA-N 1 2 350.346 2.768 20 5 FFBDLO COc1ccc(-c2ccc(C[N@H+]3CC[C@H](O)[C@H](F)C3)o2)c([N+](=O)[O-])c1 ZINC000898192658 735324727 /nfs/dbraw/zinc/32/47/27/735324727.db2.gz LFALKPQXVUXXHK-ZBFHGGJFSA-N 1 2 350.346 2.768 20 5 FFBDLO CC[N@H+](CCc1cccs1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000746070398 735461199 /nfs/dbraw/zinc/46/11/99/735461199.db2.gz LXXDPKZRYGGWTH-UHFFFAOYSA-N 1 2 359.407 2.774 20 5 FFBDLO CC[N@@H+](CCc1cccs1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000746070398 735461201 /nfs/dbraw/zinc/46/12/01/735461201.db2.gz LXXDPKZRYGGWTH-UHFFFAOYSA-N 1 2 359.407 2.774 20 5 FFBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1cccc(Br)c1[N+](=O)[O-] ZINC000856759222 730355404 /nfs/dbraw/zinc/35/54/04/730355404.db2.gz ZMHGVNMLHXYFSK-NEPJUHHUSA-N 1 2 370.247 2.657 20 5 FFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000878652617 732571994 /nfs/dbraw/zinc/57/19/94/732571994.db2.gz SJJPBUVBTGVMCB-ZDUSSCGKSA-N 1 2 350.341 2.532 20 5 FFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000878652617 732572000 /nfs/dbraw/zinc/57/20/00/732572000.db2.gz SJJPBUVBTGVMCB-ZDUSSCGKSA-N 1 2 350.341 2.532 20 5 FFBDLO C[NH+](C)Cc1csc(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000927765331 738779676 /nfs/dbraw/zinc/77/96/76/738779676.db2.gz RJQVPOVRZQFOEV-UHFFFAOYSA-N 1 2 362.455 2.707 20 5 FFBDLO COc1c(O)ccc(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000891698810 734463908 /nfs/dbraw/zinc/46/39/08/734463908.db2.gz KRLFGDTUXVJZPW-LLVKDONJSA-N 1 2 364.320 2.852 20 5 FFBDLO COc1c(O)ccc(C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000891698810 734463911 /nfs/dbraw/zinc/46/39/11/734463911.db2.gz KRLFGDTUXVJZPW-LLVKDONJSA-N 1 2 364.320 2.852 20 5 FFBDLO C[NH+](C)Cc1csc(CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])n1 ZINC000895478808 735012762 /nfs/dbraw/zinc/01/27/62/735012762.db2.gz CCBNWADAYUCJRD-UHFFFAOYSA-N 1 2 361.402 2.834 20 5 FFBDLO COc1c(O)ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000895939041 735077041 /nfs/dbraw/zinc/07/70/41/735077041.db2.gz HPOVLVBVOCYHIL-CABZTGNLSA-N 1 2 364.320 2.851 20 5 FFBDLO COc1c(O)ccc(C[N@H+]2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000895939041 735077043 /nfs/dbraw/zinc/07/70/43/735077043.db2.gz HPOVLVBVOCYHIL-CABZTGNLSA-N 1 2 364.320 2.851 20 5 FFBDLO C[C@H](OC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000741146543 735119922 /nfs/dbraw/zinc/11/99/22/735119922.db2.gz LZGWVQDGXZJOMZ-HZMBPMFUSA-N 1 2 369.805 2.603 20 5 FFBDLO C[C@H](OC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000741146543 735119927 /nfs/dbraw/zinc/11/99/27/735119927.db2.gz LZGWVQDGXZJOMZ-HZMBPMFUSA-N 1 2 369.805 2.603 20 5 FFBDLO O=C(OCc1csc([N+](=O)[O-])c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741381504 735137193 /nfs/dbraw/zinc/13/71/93/735137193.db2.gz DDTDLDVYAKCQCB-OAHLLOKOSA-N 1 2 362.407 2.601 20 5 FFBDLO O=C(OCc1csc([N+](=O)[O-])c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741381504 735137198 /nfs/dbraw/zinc/13/71/98/735137198.db2.gz DDTDLDVYAKCQCB-OAHLLOKOSA-N 1 2 362.407 2.601 20 5 FFBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000755024676 736227459 /nfs/dbraw/zinc/22/74/59/736227459.db2.gz HHJPMXHRZQGQTB-VIFPVBQESA-N 1 2 368.191 2.764 20 5 FFBDLO CC(C)([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000930300059 739084330 /nfs/dbraw/zinc/08/43/30/739084330.db2.gz GXTKFFQNHVUFSR-UHFFFAOYSA-N 1 2 370.247 2.848 20 5 FFBDLO COC(=O)[C@H]1CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)[C@@H]1C ZINC000787421755 739135278 /nfs/dbraw/zinc/13/52/78/739135278.db2.gz UYKJXUIWBLQRHR-KOLCDFICSA-N 1 2 357.204 2.741 20 5 FFBDLO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)[C@@H]1C ZINC000787421755 739135281 /nfs/dbraw/zinc/13/52/81/739135281.db2.gz UYKJXUIWBLQRHR-KOLCDFICSA-N 1 2 357.204 2.741 20 5 FFBDLO C[C@]1(C2CC[NH+](Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)COC(=O)N1 ZINC000932098341 739386369 /nfs/dbraw/zinc/38/63/69/739386369.db2.gz GYCDRWQFIFLXEP-MRXNPFEDSA-N 1 2 355.341 2.584 20 5 FFBDLO Cn1cc(C[NH2+][C@H]2CCOc3ccc(Br)cc32)c([N+](=O)[O-])n1 ZINC000932204804 739404796 /nfs/dbraw/zinc/40/47/96/739404796.db2.gz GNBVJZKJWWAINT-LBPRGKRZSA-N 1 2 367.203 2.704 20 5 FFBDLO C[C@@H](CNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000933297991 739600597 /nfs/dbraw/zinc/60/05/97/739600597.db2.gz WSXNHSYBKWCJOZ-LBPRGKRZSA-N 1 2 350.806 2.830 20 5 FFBDLO O=C(N[C@@H]1CCOC1)OC[C@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000796529883 740150332 /nfs/dbraw/zinc/15/03/32/740150332.db2.gz JDAGEHUEPFFEJD-ZIAGYGMSSA-N 1 2 369.443 2.526 20 5 FFBDLO O=C(N[C@@H]1CCOC1)OC[C@H]1CCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000796529883 740150335 /nfs/dbraw/zinc/15/03/35/740150335.db2.gz JDAGEHUEPFFEJD-ZIAGYGMSSA-N 1 2 369.443 2.526 20 5 FFBDLO O=[N+]([O-])c1ccc(Cl)cc1NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000804371491 740865465 /nfs/dbraw/zinc/86/54/65/740865465.db2.gz AATALTCQODOCOF-OAHLLOKOSA-N 1 2 357.863 2.868 20 5 FFBDLO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2ccc(Cl)c(F)c2)CC1 ZINC001045436717 743273798 /nfs/dbraw/zinc/27/37/98/743273798.db2.gz VBOLMGPYCCOXKG-IUODEOHRSA-N 1 2 369.824 2.615 20 5 FFBDLO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC001045436100 743274089 /nfs/dbraw/zinc/27/40/89/743274089.db2.gz HKDPZROEOGRSEB-IAQYHMDHSA-N 1 2 369.824 2.615 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@H]2CSC[C@@H]2C1 ZINC000827102864 743507624 /nfs/dbraw/zinc/50/76/24/743507624.db2.gz OPVRXUIFGFUEKI-KBPBESRZSA-N 1 2 358.423 2.606 20 5 FFBDLO C[C@@]1(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1(Cl)Cl ZINC000828338040 745056655 /nfs/dbraw/zinc/05/66/55/745056655.db2.gz GQNCKMSRUOAUJQ-HNNXBMFYSA-N 1 2 372.252 2.937 20 5 FFBDLO O=[N+]([O-])c1nn(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cc1Br ZINC000840117284 747008447 /nfs/dbraw/zinc/00/84/47/747008447.db2.gz UIHBAUZCUUZJGW-RAIGVLPGSA-N 1 2 373.251 2.527 20 5 FFBDLO O=[N+]([O-])c1nn(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cc1Br ZINC000840117284 747008452 /nfs/dbraw/zinc/00/84/52/747008452.db2.gz UIHBAUZCUUZJGW-RAIGVLPGSA-N 1 2 373.251 2.527 20 5 FFBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cn3ncc(Cl)c3C3CC3)CC2)n1 ZINC000853508332 750077694 /nfs/dbraw/zinc/07/76/94/750077694.db2.gz FCLZNMCYXQARFZ-UHFFFAOYSA-N 1 2 350.810 2.813 20 5 FFBDLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@@H]([C@H]2CCCO2)C1 ZINC000933180867 963676391 /nfs/dbraw/zinc/67/63/91/963676391.db2.gz NUTNBYFQSRWPFQ-CSMYWGQOSA-N 1 2 366.389 2.667 20 5 FFBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@@H]([C@H]2CCCO2)C1 ZINC000933180867 963676396 /nfs/dbraw/zinc/67/63/96/963676396.db2.gz NUTNBYFQSRWPFQ-CSMYWGQOSA-N 1 2 366.389 2.667 20 5 FFBDLO C[C@H](CNC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1[N+](=O)[O-] ZINC000897077451 973234687 /nfs/dbraw/zinc/23/46/87/973234687.db2.gz GMTMWXVVORRZKO-OAHLLOKOSA-N 1 2 369.425 2.625 20 5 FFBDLO CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000030544468 975896461 /nfs/dbraw/zinc/89/64/61/975896461.db2.gz SOOOLKVINDDVTH-DLBZAZTESA-N 1 2 374.485 2.896 20 5 FFBDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000729341721 978247167 /nfs/dbraw/zinc/24/71/67/978247167.db2.gz KYSMWIDADUWBEK-MRXNPFEDSA-N 1 2 359.430 2.824 20 5 FFBDLO C[C@H]1CN(c2ccc(NC3CC(n4cc([N+](=O)[O-])cn4)C3)c[nH+]2)C[C@H](C)O1 ZINC000877161134 1014495014 /nfs/dbraw/zinc/49/50/14/1014495014.db2.gz GCEOHMTYMWSTGL-VRLRAXNCSA-N 1 2 372.429 2.616 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CC[C@@H](C2CC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000897510534 981372541 /nfs/dbraw/zinc/37/25/41/981372541.db2.gz VWZFLHRYAZJBOP-OKZBNKHCSA-N 1 2 356.426 2.965 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910781934 982046458 /nfs/dbraw/zinc/04/64/58/982046458.db2.gz WVUWJZDVEXAJSS-UHFFFAOYSA-N 1 2 367.405 2.704 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910781934 982046472 /nfs/dbraw/zinc/04/64/72/982046472.db2.gz WVUWJZDVEXAJSS-UHFFFAOYSA-N 1 2 367.405 2.704 20 5 FFBDLO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910778573 982058581 /nfs/dbraw/zinc/05/85/81/982058581.db2.gz STYUYGSAOCPWKX-UHFFFAOYSA-N 1 2 355.369 2.834 20 5 FFBDLO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910778573 982058592 /nfs/dbraw/zinc/05/85/92/982058592.db2.gz STYUYGSAOCPWKX-UHFFFAOYSA-N 1 2 355.369 2.834 20 5 FFBDLO Cc1nn(C[NH+]2CCN(c3ccccc3O)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000764865850 984765627 /nfs/dbraw/zinc/76/56/27/984765627.db2.gz RGBGGDKGOAAVSY-UHFFFAOYSA-N 1 2 367.409 2.738 20 5 FFBDLO Cc1nn(C[N@@H+]2CCCN(CC(F)(F)F)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000765005428 984923499 /nfs/dbraw/zinc/92/34/99/984923499.db2.gz CARHGZOMEGZOPB-UHFFFAOYSA-N 1 2 371.363 2.780 20 5 FFBDLO Cc1nn(C[N@H+]2CCCN(CC(F)(F)F)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000765005428 984923504 /nfs/dbraw/zinc/92/35/04/984923504.db2.gz CARHGZOMEGZOPB-UHFFFAOYSA-N 1 2 371.363 2.780 20 5 FFBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc(C)cc([N+](=O)[O-])c2N)c1C ZINC000170904673 985171430 /nfs/dbraw/zinc/17/14/30/985171430.db2.gz IGFKASFWMDHMQM-UHFFFAOYSA-N 1 2 358.398 2.778 20 5 FFBDLO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCCc2[nH]cc[nH+]2)CC1 ZINC000171756972 985391083 /nfs/dbraw/zinc/39/10/83/985391083.db2.gz VFUAAFUDIMTBRI-UHFFFAOYSA-N 1 2 357.414 2.527 20 5 FFBDLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3ccc([N+](=O)[O-])o3)CC2)cc1 ZINC000174198626 986117429 /nfs/dbraw/zinc/11/74/29/986117429.db2.gz BAESSTFIDLDITK-UHFFFAOYSA-N 1 2 358.398 2.653 20 5 FFBDLO C[C@@H](C[C@@H](O)c1ccco1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000152360240 987162484 /nfs/dbraw/zinc/16/24/84/987162484.db2.gz SRWFMZAJPBISJK-BLLLJJGKSA-N 1 2 370.365 2.616 20 5 FFBDLO C[C@@H](NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1ccccc1[N+](=O)[O-] ZINC000444134063 989217007 /nfs/dbraw/zinc/21/70/07/989217007.db2.gz GFALOIYDPLRNLO-KGLIPLIRSA-N 1 2 357.414 2.979 20 5 FFBDLO C[C@@H]1C[C@@H]1c1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n[nH]1 ZINC000194594056 990348935 /nfs/dbraw/zinc/34/89/35/990348935.db2.gz YVXHSIDCRKZWAT-PWSUYJOCSA-N 1 2 352.354 2.879 20 5 FFBDLO CCc1noc(C)c1C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171851 995632202 /nfs/dbraw/zinc/63/22/02/995632202.db2.gz VVZKWYPMLGCGIK-HNNXBMFYSA-N 1 2 359.382 2.885 20 5 FFBDLO CCc1noc(C)c1C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171851 995632207 /nfs/dbraw/zinc/63/22/07/995632207.db2.gz VVZKWYPMLGCGIK-HNNXBMFYSA-N 1 2 359.382 2.885 20 5 FFBDLO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cc(C2CC2)[nH]n1 ZINC000813171773 995632543 /nfs/dbraw/zinc/63/25/43/995632543.db2.gz UETQUZLAFNREPA-HNNXBMFYSA-N 1 2 356.382 2.627 20 5 FFBDLO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cc(C2CC2)[nH]n1 ZINC000813171773 995632547 /nfs/dbraw/zinc/63/25/47/995632547.db2.gz UETQUZLAFNREPA-HNNXBMFYSA-N 1 2 356.382 2.627 20 5 FFBDLO O=C(NCc1ccc2c(c1)C[N@@H+](Cc1cccc(F)c1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001054265013 1015995743 /nfs/dbraw/zinc/99/57/43/1015995743.db2.gz ZUFCDYDRURZADE-RTBURBONSA-N 1 2 369.396 2.623 20 5 FFBDLO O=C(NCc1ccc2c(c1)C[N@H+](Cc1cccc(F)c1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001054265013 1015995749 /nfs/dbraw/zinc/99/57/49/1015995749.db2.gz ZUFCDYDRURZADE-RTBURBONSA-N 1 2 369.396 2.623 20 5 FFBDLO Cc1nn(C[NH+]2CCC(Cc3nc([C@@H]4C[C@H]4C)no3)CC2)cc1[N+](=O)[O-] ZINC000844729673 998100089 /nfs/dbraw/zinc/10/00/89/998100089.db2.gz GPYVYGVRBMVBAE-BXUZGUMPSA-N 1 2 360.418 2.518 20 5 FFBDLO CC[N@@H+]1CCCC[C@H]1C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000741149303 999711533 /nfs/dbraw/zinc/71/15/33/999711533.db2.gz XSIGRLPATWEXGS-AWEZNQCLSA-N 1 2 360.370 2.562 20 5 FFBDLO CC[N@H+]1CCCC[C@H]1C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000741149303 999711535 /nfs/dbraw/zinc/71/15/35/999711535.db2.gz XSIGRLPATWEXGS-AWEZNQCLSA-N 1 2 360.370 2.562 20 5 FFBDLO COc1c(C)c[nH+]c(CNC(=O)NCCc2ccccc2[N+](=O)[O-])c1C ZINC000743574496 999823770 /nfs/dbraw/zinc/82/37/70/999823770.db2.gz SRLKBYOAYOJUGE-UHFFFAOYSA-N 1 2 358.398 2.657 20 5 FFBDLO COC(=O)c1c(C)c([N+](=O)[O-])ccc1NCCc1cn2ccccc2[nH+]1 ZINC001169009164 1000015374 /nfs/dbraw/zinc/01/53/74/1000015374.db2.gz NNJODAPROBKUHH-UHFFFAOYSA-N 1 2 354.366 2.992 20 5 FFBDLO C[C@@H]1c2ncc(COc3cccnc3)n2CC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169023310 1000017963 /nfs/dbraw/zinc/01/79/63/1000017963.db2.gz FHOPUPRXAWOXIR-BZUAXINKSA-N 1 2 371.441 2.679 20 5 FFBDLO C[C@@H]1c2ncc(COc3cccnc3)n2CC[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169023310 1000017965 /nfs/dbraw/zinc/01/79/65/1000017965.db2.gz FHOPUPRXAWOXIR-BZUAXINKSA-N 1 2 371.441 2.679 20 5 FFBDLO Cn1nc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc21 ZINC000768153064 1000185816 /nfs/dbraw/zinc/18/58/16/1000185816.db2.gz ZMRCZJVQTVIYGL-UHFFFAOYSA-N 1 2 351.410 2.804 20 5 FFBDLO O=C(OCc1cccc2[nH+]ccn21)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000770922673 1000954687 /nfs/dbraw/zinc/95/46/87/1000954687.db2.gz PXTYVBSVRXUOJA-UHFFFAOYSA-N 1 2 363.333 2.785 20 5 FFBDLO Cc1cccn2cc(CCNC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)[nH+]c12 ZINC000746540774 1001394669 /nfs/dbraw/zinc/39/46/69/1001394669.db2.gz XMTTVYKTPIVVMW-RMKNXTFCSA-N 1 2 350.378 2.923 20 5 FFBDLO C[C@@H](O)CNc1[nH+]c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000789570701 1002119099 /nfs/dbraw/zinc/11/90/99/1002119099.db2.gz KEVKWQCCYREPCE-LLVKDONJSA-N 1 2 371.353 2.694 20 5 FFBDLO COc1cccc2c1CC[C@]2(CO)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001183520857 1002290761 /nfs/dbraw/zinc/29/07/61/1002290761.db2.gz SPEGAFDVOCBHAX-LJQANCHMSA-N 1 2 369.377 2.668 20 5 FFBDLO Cc1cc(C)c(CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c[nH+]1 ZINC001129714026 1003747653 /nfs/dbraw/zinc/74/76/53/1003747653.db2.gz KGEPMCDYGBPMEE-UHFFFAOYSA-N 1 2 351.366 2.722 20 5 FFBDLO CC(C)(CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cccnc1 ZINC001129915320 1003817280 /nfs/dbraw/zinc/81/72/80/1003817280.db2.gz APSBAAUTFDDEAG-UHFFFAOYSA-N 1 2 365.393 2.883 20 5 FFBDLO COc1ccncc1COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000805542650 1004046893 /nfs/dbraw/zinc/04/68/93/1004046893.db2.gz RYHUMCXUUJYWRX-UHFFFAOYSA-N 1 2 354.322 2.541 20 5 FFBDLO COC(=O)C[C@@H]1C[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C[C@H]1C ZINC001197853743 1004382394 /nfs/dbraw/zinc/38/23/94/1004382394.db2.gz APRDSFCZGDAIEA-ZYHUDNBSSA-N 1 2 371.231 2.988 20 5 FFBDLO COC(=O)C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C[C@H]1C ZINC001197853743 1004382402 /nfs/dbraw/zinc/38/24/02/1004382402.db2.gz APRDSFCZGDAIEA-ZYHUDNBSSA-N 1 2 371.231 2.988 20 5 FFBDLO C[N@H+](Cc1ccccc1F)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001050244692 1016929513 /nfs/dbraw/zinc/92/95/13/1016929513.db2.gz SMOLYPITEZWTKE-IEBWSBKVSA-N 1 2 371.412 2.739 20 5 FFBDLO C[N@@H+](Cc1ccccc1F)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001050244692 1016929529 /nfs/dbraw/zinc/92/95/29/1016929529.db2.gz SMOLYPITEZWTKE-IEBWSBKVSA-N 1 2 371.412 2.739 20 5 FFBDLO O=[N+]([O-])c1cc(O)cc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)c1 ZINC001201223493 1005186952 /nfs/dbraw/zinc/18/69/52/1005186952.db2.gz ZOBPXAAREQJQGE-UHFFFAOYSA-N 1 2 359.382 2.755 20 5 FFBDLO CN(CC[N@H+](C)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000107669698 1005507892 /nfs/dbraw/zinc/50/78/92/1005507892.db2.gz OIRYPTVSQKKZLH-UHFFFAOYSA-N 1 2 356.382 2.528 20 5 FFBDLO CN(CC[N@@H+](C)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000107669698 1005507894 /nfs/dbraw/zinc/50/78/94/1005507894.db2.gz OIRYPTVSQKKZLH-UHFFFAOYSA-N 1 2 356.382 2.528 20 5 FFBDLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)cc1 ZINC000881616621 1006155336 /nfs/dbraw/zinc/15/53/36/1006155336.db2.gz UPJDKOYXAHXHDM-UHFFFAOYSA-N 1 2 354.410 2.510 20 5 FFBDLO COCc1cc([N+](=O)[O-])ccc1N1CCC[N@H+](Cc2cc(C)on2)CC1 ZINC001116189920 1032180889 /nfs/dbraw/zinc/18/08/89/1032180889.db2.gz AWPJBLYHCPKRBH-UHFFFAOYSA-N 1 2 360.414 2.750 20 5 FFBDLO COCc1cc([N+](=O)[O-])ccc1N1CCC[N@@H+](Cc2cc(C)on2)CC1 ZINC001116189920 1032180894 /nfs/dbraw/zinc/18/08/94/1032180894.db2.gz AWPJBLYHCPKRBH-UHFFFAOYSA-N 1 2 360.414 2.750 20 5 FFBDLO Cc1ccc(O[C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)nc1 ZINC000858038948 1008286468 /nfs/dbraw/zinc/28/64/68/1008286468.db2.gz ZPEVFAGGFVNQGY-GJZGRUSLSA-N 1 2 370.409 2.779 20 5 FFBDLO Cc1ccc(O[C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)nc1 ZINC000858038948 1008286470 /nfs/dbraw/zinc/28/64/70/1008286470.db2.gz ZPEVFAGGFVNQGY-GJZGRUSLSA-N 1 2 370.409 2.779 20 5 FFBDLO CCOC(=O)C1=CC[C@H]([NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000858509022 1008371833 /nfs/dbraw/zinc/37/18/33/1008371833.db2.gz PFWBEKRKUDTTPC-DOTOQJQBSA-N 1 2 370.409 2.659 20 5 FFBDLO CC(C)c1noc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000858977275 1008458658 /nfs/dbraw/zinc/45/86/58/1008458658.db2.gz ZDVTVCHLHMGATP-UHFFFAOYSA-N 1 2 357.326 2.644 20 5 FFBDLO C[C@H]1C[N@H+](CCNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)[C@@H](C)CO1 ZINC000862169863 1009730909 /nfs/dbraw/zinc/73/09/09/1009730909.db2.gz CDGPQPFJGXZDIA-KBPBESRZSA-N 1 2 357.410 2.587 20 5 FFBDLO C[C@H]1C[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)[C@@H](C)CO1 ZINC000862169863 1009730925 /nfs/dbraw/zinc/73/09/25/1009730925.db2.gz CDGPQPFJGXZDIA-KBPBESRZSA-N 1 2 357.410 2.587 20 5 FFBDLO C[C@@H]1C[NH+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1(F)F ZINC000863274940 1010154153 /nfs/dbraw/zinc/15/41/53/1010154153.db2.gz VGLUQXQCNYSADT-HSMVNMDESA-N 1 2 369.368 2.713 20 5 FFBDLO C[N@H+](CCCOc1ccccc1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794621101 1010443624 /nfs/dbraw/zinc/44/36/24/1010443624.db2.gz TVXFVPAEVZSVHC-UHFFFAOYSA-N 1 2 357.366 2.861 20 5 FFBDLO C[N@@H+](CCCOc1ccccc1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794621101 1010443632 /nfs/dbraw/zinc/44/36/32/1010443632.db2.gz TVXFVPAEVZSVHC-UHFFFAOYSA-N 1 2 357.366 2.861 20 5 FFBDLO CC1(C)C[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C[C@]2(CCOC2)O1 ZINC000794696062 1010515270 /nfs/dbraw/zinc/51/52/70/1010515270.db2.gz UZLSDZBQRPKIEG-IBGZPJMESA-N 1 2 372.425 2.686 20 5 FFBDLO CC1(C)C[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C[C@]2(CCOC2)O1 ZINC000794696062 1010515279 /nfs/dbraw/zinc/51/52/79/1010515279.db2.gz UZLSDZBQRPKIEG-IBGZPJMESA-N 1 2 372.425 2.686 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(-c2nc(-c3ccccc3-n3cc[nH+]c3)no2)n1 ZINC001212698797 1012197810 /nfs/dbraw/zinc/19/78/10/1012197810.db2.gz XSVQVPONHXAWFU-UHFFFAOYSA-N 1 2 364.321 2.901 20 5 FFBDLO COc1cccc([C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3C)CC[NH2+]2)c1 ZINC000870147965 1012203601 /nfs/dbraw/zinc/20/36/01/1012203601.db2.gz VRZNULBSWXMZLH-KRWDZBQOSA-N 1 2 355.394 2.699 20 5 FFBDLO O=C(NC[C@@H]1CCC12CCOCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000871575853 1013007449 /nfs/dbraw/zinc/00/74/49/1013007449.db2.gz ILTLYURFAOQWEE-HNNXBMFYSA-N 1 2 370.409 2.717 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000470286711 1018950243 /nfs/dbraw/zinc/95/02/43/1018950243.db2.gz NWQQRQBZWGTFAY-ZDUSSCGKSA-N 1 2 353.382 2.829 20 5 FFBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](Cc2ccc(C3CCCC3)cc2)C1 ZINC001042711077 1019118121 /nfs/dbraw/zinc/11/81/21/1019118121.db2.gz OLIBZIFNUULQFV-RTBURBONSA-N 1 2 357.454 2.652 20 5 FFBDLO CC1CCC2(CC1)NC(=O)N(C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)C2=O ZINC000800866132 1020611840 /nfs/dbraw/zinc/61/18/40/1020611840.db2.gz TVOCHRPPCXYPNV-UHFFFAOYSA-N 1 2 374.441 2.527 20 5 FFBDLO CC1CCC2(CC1)NC(=O)N(C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)C2=O ZINC000800866132 1020611846 /nfs/dbraw/zinc/61/18/46/1020611846.db2.gz TVOCHRPPCXYPNV-UHFFFAOYSA-N 1 2 374.441 2.527 20 5 FFBDLO CC(C)O[C@]1(C[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000903358738 1020804098 /nfs/dbraw/zinc/80/40/98/1020804098.db2.gz YSGDMCHRDOOECV-HKUYNNGSSA-N 1 2 374.441 2.591 20 5 FFBDLO CC(C)(C)OC(=O)c1ccc(O[C@H]2CC[NH2+]CC2(F)F)c([N+](=O)[O-])c1 ZINC001218012471 1032951582 /nfs/dbraw/zinc/95/15/82/1032951582.db2.gz QDNSBKVWBFRBPF-ZDUSSCGKSA-N 1 2 358.341 2.926 20 5 FFBDLO CC(C)(C)c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001017543895 1022247074 /nfs/dbraw/zinc/24/70/74/1022247074.db2.gz HVZMGZXQTFHAMK-FCGDIQPGSA-N 1 2 371.481 2.825 20 5 FFBDLO CC(C)(C)c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001017543895 1022247086 /nfs/dbraw/zinc/24/70/86/1022247086.db2.gz HVZMGZXQTFHAMK-FCGDIQPGSA-N 1 2 371.481 2.825 20 5 FFBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000155622068 1022270140 /nfs/dbraw/zinc/27/01/40/1022270140.db2.gz SMCHBQCHALLSAK-RUDMXATFSA-N 1 2 368.393 2.787 20 5 FFBDLO O=C(NC1([C@H]2CCCO2)CCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001124119651 1024294440 /nfs/dbraw/zinc/29/44/40/1024294440.db2.gz OTFZLVBSOFJSPS-MRXNPFEDSA-N 1 2 356.382 2.612 20 5 FFBDLO CCCC[C@@H](OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(=O)OC ZINC000838101463 1026208215 /nfs/dbraw/zinc/20/82/15/1026208215.db2.gz KYSGBEMIZGYCNV-OAHLLOKOSA-N 1 2 361.354 2.669 20 5 FFBDLO CCC[C@H](C)NC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000838102633 1026210080 /nfs/dbraw/zinc/21/00/80/1026210080.db2.gz VQIIRJVOESHEET-QWHCGFSZSA-N 1 2 374.397 2.631 20 5 FFBDLO O=C(O[C@H]1CC[N@H+](CCF)C1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000838875046 1026522899 /nfs/dbraw/zinc/52/28/99/1026522899.db2.gz UPGWKPBBDXQDSL-AWEZNQCLSA-N 1 2 359.357 2.857 20 5 FFBDLO O=C(O[C@H]1CC[N@@H+](CCF)C1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000838875046 1026522907 /nfs/dbraw/zinc/52/29/07/1026522907.db2.gz UPGWKPBBDXQDSL-AWEZNQCLSA-N 1 2 359.357 2.857 20 5 FFBDLO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000840190250 1027004449 /nfs/dbraw/zinc/00/44/49/1027004449.db2.gz URCJOCAODJCTBD-MRXNPFEDSA-N 1 2 354.410 2.898 20 5 FFBDLO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000840190250 1027004456 /nfs/dbraw/zinc/00/44/56/1027004456.db2.gz URCJOCAODJCTBD-MRXNPFEDSA-N 1 2 354.410 2.898 20 5 FFBDLO O=[N+]([O-])c1ccc2ncnc(N3CC[C@H]([NH+]4CCCC4)C(F)(F)C3)c2c1 ZINC001158623242 1027076883 /nfs/dbraw/zinc/07/68/83/1027076883.db2.gz RFSPWCFRMIUYIY-HNNXBMFYSA-N 1 2 363.368 2.848 20 5 FFBDLO C[C@@H]1C[NH+](C2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C2)C[C@@H](C)O1 ZINC001158727365 1027111334 /nfs/dbraw/zinc/11/13/34/1027111334.db2.gz XRDJNNVNIJDBTI-HUUCEWRRSA-N 1 2 368.437 2.955 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H](c2nccs2)C1 ZINC001153396415 1027860319 /nfs/dbraw/zinc/86/03/19/1027860319.db2.gz FNNPWPDLBAHVPC-ZDUSSCGKSA-N 1 2 369.406 2.867 20 5 FFBDLO CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001162855406 1028680549 /nfs/dbraw/zinc/68/05/49/1028680549.db2.gz AKBBINNQOAQIIJ-ZDUSSCGKSA-N 1 2 358.398 2.738 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000780763472 1028800006 /nfs/dbraw/zinc/80/00/06/1028800006.db2.gz GLWWFXZESOIZDR-QZTJIDSGSA-N 1 2 370.384 2.880 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@](C)(O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000780765281 1028800587 /nfs/dbraw/zinc/80/05/87/1028800587.db2.gz XUMKLHIKMBVNGI-AEFFLSMTSA-N 1 2 372.450 2.977 20 5 FFBDLO COc1ccc(NC(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)c([N+](=O)[O-])c1 ZINC001219572372 1033696231 /nfs/dbraw/zinc/69/62/31/1033696231.db2.gz MOZFQKXLBMJIBX-QGZVFWFLSA-N 1 2 356.382 2.912 20 5 FFBDLO COc1ccc(NC(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)c([N+](=O)[O-])c1 ZINC001219572372 1033696238 /nfs/dbraw/zinc/69/62/38/1033696238.db2.gz MOZFQKXLBMJIBX-QGZVFWFLSA-N 1 2 356.382 2.912 20 5 FFBDLO CCCSc1nc(O[C@@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229792516 1036897677 /nfs/dbraw/zinc/89/76/77/1036897677.db2.gz UBHXOVNVBGAPSS-PTEHBNRSSA-N 1 2 368.459 2.702 20 5 FFBDLO CCCSc1nc(O[C@@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229792516 1036897692 /nfs/dbraw/zinc/89/76/92/1036897692.db2.gz UBHXOVNVBGAPSS-PTEHBNRSSA-N 1 2 368.459 2.702 20 5 FFBDLO CC[N@@H+]1CC[C@@H](Oc2cc(O)cc3oc4c(ccc(O)c4OC)c(=O)c23)C1 ZINC001234749201 1037167483 /nfs/dbraw/zinc/16/74/83/1037167483.db2.gz MVGRCOZYCJBFQA-GFCCVEGCSA-N 1 2 371.389 2.839 20 5 FFBDLO CC[N@H+]1CC[C@@H](Oc2cc(O)cc3oc4c(ccc(O)c4OC)c(=O)c23)C1 ZINC001234749201 1037167495 /nfs/dbraw/zinc/16/74/95/1037167495.db2.gz MVGRCOZYCJBFQA-GFCCVEGCSA-N 1 2 371.389 2.839 20 5 FFBDLO CCOC(=O)C(C)(C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256087410 1038373294 /nfs/dbraw/zinc/37/32/94/1038373294.db2.gz ZYMGMBYMTFEFSA-UHFFFAOYSA-N 1 2 365.430 2.504 20 5 FFBDLO Cc1ccccc1C(=O)N1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254609343 1040836789 /nfs/dbraw/zinc/83/67/89/1040836789.db2.gz VRHZWWXHCAGJGA-IBGZPJMESA-N 1 2 365.433 2.828 20 5 FFBDLO Cc1ncc([N+](=O)[O-])cc1Nc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001249548836 1040860049 /nfs/dbraw/zinc/86/00/49/1040860049.db2.gz XIOPIATXMQMUBF-UHFFFAOYSA-N 1 2 358.398 2.753 20 5 FFBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001262824098 1041878660 /nfs/dbraw/zinc/87/86/60/1041878660.db2.gz AGMSDABSGSJQRS-CYBMUJFWSA-N 1 2 359.430 2.905 20 5 FFBDLO CC(C)(C)[S@](C)(=O)=NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001538282696 1070394757 /nfs/dbraw/zinc/39/47/57/1070394757.db2.gz ATQOIYQZGKEKFQ-DEOSSOPVSA-N 1 2 350.400 2.817 20 5 FFBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC001320328974 1045391350 /nfs/dbraw/zinc/39/13/50/1045391350.db2.gz CRAWXLITCUJFLA-CYBMUJFWSA-N 1 2 367.409 2.905 20 5 FFBDLO C[C@@H](Cc1ccncc1)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001539552723 1070658142 /nfs/dbraw/zinc/65/81/42/1070658142.db2.gz IIPSDXRIFJCOQU-ZDUSSCGKSA-N 1 2 351.366 2.537 20 5 FFBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001323961915 1045793078 /nfs/dbraw/zinc/79/30/78/1045793078.db2.gz HVFBAMWKVZPIPO-ZDUSSCGKSA-N 1 2 359.455 2.980 20 5 FFBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1Br)C[C@@H]1CCC(=O)N1 ZINC001326008361 1046721045 /nfs/dbraw/zinc/72/10/45/1046721045.db2.gz UDTBCJFZEUXJSK-LBPRGKRZSA-N 1 2 370.247 2.846 20 5 FFBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1Br)C[C@@H]1CCC(=O)N1 ZINC001326008361 1046721056 /nfs/dbraw/zinc/72/10/56/1046721056.db2.gz UDTBCJFZEUXJSK-LBPRGKRZSA-N 1 2 370.247 2.846 20 5 FFBDLO Cc1cc(CN2CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)no1 ZINC001330596714 1049221862 /nfs/dbraw/zinc/22/18/62/1049221862.db2.gz NRBPLLKZYPHHKX-UHFFFAOYSA-N 1 2 371.397 2.740 20 5 FFBDLO Cc1cc(CN2CCC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)no1 ZINC001330596714 1049221880 /nfs/dbraw/zinc/22/18/80/1049221880.db2.gz NRBPLLKZYPHHKX-UHFFFAOYSA-N 1 2 371.397 2.740 20 5 FFBDLO COc1ccccc1Cc1cn(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c[nH+]1 ZINC001307408324 1052303097 /nfs/dbraw/zinc/30/30/97/1052303097.db2.gz XSQCMHMJWNWTJZ-UHFFFAOYSA-N 1 2 366.377 2.538 20 5 FFBDLO COCc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)cc1 ZINC001353830618 1058272771 /nfs/dbraw/zinc/27/27/71/1058272771.db2.gz VBMFQANQDUZCCH-UHFFFAOYSA-N 1 2 366.377 2.857 20 5 FFBDLO COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c(C)n1 ZINC001518419593 1058377520 /nfs/dbraw/zinc/37/75/20/1058377520.db2.gz QBLYTVSIGXTUKN-UHFFFAOYSA-N 1 2 353.338 2.745 20 5 FFBDLO O=C(Nc1cc(C(F)(F)F)n[nH]1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001446544699 1058527542 /nfs/dbraw/zinc/52/75/42/1058527542.db2.gz AODCATUQEPVEDZ-UHFFFAOYSA-N 1 2 366.259 2.775 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@H](c2cccnc2)C1 ZINC001526520190 1061154552 /nfs/dbraw/zinc/15/45/52/1061154552.db2.gz YLJBBMFKLRLCBJ-INIZCTEOSA-N 1 2 363.377 2.805 20 5 FFBDLO CCn1cc([N+](=O)[O-])c(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)n1 ZINC001526662773 1061208553 /nfs/dbraw/zinc/20/85/53/1061208553.db2.gz JAQJLWSFYMVYME-UHFFFAOYSA-N 1 2 374.788 2.580 20 5 FFBDLO O=C(Nc1nc2c(s1)COCC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001360856163 1062039631 /nfs/dbraw/zinc/03/96/31/1062039631.db2.gz KKOVBSPINGYAAX-UHFFFAOYSA-N 1 2 371.378 2.562 20 5 FFBDLO CC(C)[NH+]1CC(NC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC001467239081 1063680849 /nfs/dbraw/zinc/68/08/49/1063680849.db2.gz WMCVTAHVZZJRSB-UHFFFAOYSA-N 1 2 350.177 2.863 20 5 FFBDLO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC001471702849 1064764201 /nfs/dbraw/zinc/76/42/01/1064764201.db2.gz ZCNUKPSZMXMAFV-ZQHMHTFJSA-N 1 2 355.369 2.920 20 5 FFBDLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)c(N)c1[N+](=O)[O-] ZINC001472226843 1064976261 /nfs/dbraw/zinc/97/62/61/1064976261.db2.gz XBRSIOATYSDUFO-ZDUSSCGKSA-N 1 2 354.410 2.871 20 5 FFBDLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)c(N)c1[N+](=O)[O-] ZINC001472226843 1064976276 /nfs/dbraw/zinc/97/62/76/1064976276.db2.gz XBRSIOATYSDUFO-ZDUSSCGKSA-N 1 2 354.410 2.871 20 5 FFBDLO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)o1 ZINC001473435352 1065263165 /nfs/dbraw/zinc/26/31/65/1065263165.db2.gz ZLQHSVPVJPVRNP-CQSZACIVSA-N 1 2 367.365 2.693 20 5 FFBDLO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)o1 ZINC001473435352 1065263173 /nfs/dbraw/zinc/26/31/73/1065263173.db2.gz ZLQHSVPVJPVRNP-CQSZACIVSA-N 1 2 367.365 2.693 20 5 FFBDLO O=C(Nc1ccc2c(c1)NC(=O)C2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001584161600 1079315584 /nfs/dbraw/zinc/31/55/84/1079315584.db2.gz KYOQCSSGVANJDC-UHFFFAOYSA-N 1 2 363.333 2.527 20 5 FFBDLO CNc1cc(CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)cc[nH+]1 ZINC001563086342 1075111261 /nfs/dbraw/zinc/11/12/61/1075111261.db2.gz WQKWQSCBRXVQMU-UHFFFAOYSA-N 1 2 352.354 2.901 20 5 FFBDLO Cn1cc([N+](=O)[O-])c(NCCN(Cc2ccccc2)c2cccc[nH+]2)n1 ZINC001559273198 1076143518 /nfs/dbraw/zinc/14/35/18/1076143518.db2.gz CUSWJNPQEUZAQY-UHFFFAOYSA-N 1 2 352.398 2.842 20 5 FFBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC=C[C@H]2CO)cc1OC ZINC001560098926 1076226096 /nfs/dbraw/zinc/22/60/96/1076226096.db2.gz WNNGWEAWYFSVLU-ZFWWWQNUSA-N 1 2 350.415 2.761 20 5 FFBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC=C[C@H]2CO)cc1OC ZINC001560098926 1076226099 /nfs/dbraw/zinc/22/60/99/1076226099.db2.gz WNNGWEAWYFSVLU-ZFWWWQNUSA-N 1 2 350.415 2.761 20 5 FFBDLO Cc1cc(CNS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cc(C)[nH+]1 ZINC001561668690 1076404974 /nfs/dbraw/zinc/40/49/74/1076404974.db2.gz MIXKWCSUAWMHSA-UHFFFAOYSA-N 1 2 372.406 2.633 20 5 FFBDLO Cc1[nH]c(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)[nH+]c1C ZINC001566257622 1076938833 /nfs/dbraw/zinc/93/88/33/1076938833.db2.gz AZKMTPJGNLNJIA-UHFFFAOYSA-N 1 2 371.166 2.766 20 5 FFBDLO O=C(c1c[nH]nc1[N+](=O)[O-])N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC001568316160 1077086420 /nfs/dbraw/zinc/08/64/20/1077086420.db2.gz WDCXADMCOQCCBT-UHFFFAOYSA-N 1 2 374.788 2.510 20 5 FFBDLO O=C(Nc1ccc2c(c1)CC(=O)N2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001586280810 1079589660 /nfs/dbraw/zinc/58/96/60/1079589660.db2.gz KCFCQBXAAZFVMF-UHFFFAOYSA-N 1 2 363.333 2.527 20 5 FFBDLO C[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1cccc(-c2nn[nH]n2)c1 ZINC001589965928 1080909301 /nfs/dbraw/zinc/90/93/01/1080909301.db2.gz SPFGDKQMAQJBQO-VIFPVBQESA-N 1 2 360.324 2.904 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000103497997 250155480 /nfs/dbraw/zinc/15/54/80/250155480.db2.gz ZLJGMZFGDQKCEN-UHFFFAOYSA-N 1 2 361.423 2.544 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000103497997 250155486 /nfs/dbraw/zinc/15/54/86/250155486.db2.gz ZLJGMZFGDQKCEN-UHFFFAOYSA-N 1 2 361.423 2.544 20 5 FFBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000119939498 250527395 /nfs/dbraw/zinc/52/73/95/250527395.db2.gz OLBODARCKFBWRC-OAHLLOKOSA-N 1 2 372.425 2.579 20 5 FFBDLO C[C@H]1CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000272375304 252023465 /nfs/dbraw/zinc/02/34/65/252023465.db2.gz RNYWVUUCKQBHMD-WFASDCNBSA-N 1 2 364.352 2.993 20 5 FFBDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(Cn3ccc4cc([N+](=O)[O-])ccc43)n2)C1 ZINC000272694512 252104131 /nfs/dbraw/zinc/10/41/31/252104131.db2.gz UZFCTIWPZPVEBT-MRXNPFEDSA-N 1 2 371.397 2.763 20 5 FFBDLO CC(C)[N@H+]1CCO[C@@H](c2noc(Cn3ccc4cc([N+](=O)[O-])ccc43)n2)C1 ZINC000272694512 252104134 /nfs/dbraw/zinc/10/41/34/252104134.db2.gz UZFCTIWPZPVEBT-MRXNPFEDSA-N 1 2 371.397 2.763 20 5 FFBDLO Cc1ccc2[nH]c([C@@H]3CCCN(c4ncc([N+](=O)[O-])c(N)n4)C3)[nH+]c2c1 ZINC000273093896 252213697 /nfs/dbraw/zinc/21/36/97/252213697.db2.gz KGJBFZJOKGEXRK-LLVKDONJSA-N 1 2 353.386 2.536 20 5 FFBDLO Cc1cccc(NCc2ccc[nH+]c2N2CCC(C(N)=O)CC2)c1[N+](=O)[O-] ZINC000275412055 256002144 /nfs/dbraw/zinc/00/21/44/256002144.db2.gz GIZNNZVMZAGGDH-UHFFFAOYSA-N 1 2 369.425 2.612 20 5 FFBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000286876465 257059666 /nfs/dbraw/zinc/05/96/66/257059666.db2.gz HXEZGFQVMSNZKK-AAEUAGOBSA-N 1 2 368.821 2.575 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000287650117 257100666 /nfs/dbraw/zinc/10/06/66/257100666.db2.gz GQCCLKXSOCOQFF-KRWDZBQOSA-N 1 2 370.409 2.528 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000287650117 257100667 /nfs/dbraw/zinc/10/06/67/257100667.db2.gz GQCCLKXSOCOQFF-KRWDZBQOSA-N 1 2 370.409 2.528 20 5 FFBDLO CN(C(=O)C[N@@H+]1CCC=C(c2cccnc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000289259482 257269598 /nfs/dbraw/zinc/26/95/98/257269598.db2.gz CYGBOKLBVLLCTI-UHFFFAOYSA-N 1 2 352.394 2.742 20 5 FFBDLO CN(C(=O)C[N@H+]1CCC=C(c2cccnc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000289259482 257269600 /nfs/dbraw/zinc/26/96/00/257269600.db2.gz CYGBOKLBVLLCTI-UHFFFAOYSA-N 1 2 352.394 2.742 20 5 FFBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289879881 257304425 /nfs/dbraw/zinc/30/44/25/257304425.db2.gz ZMALPYDEMOPYGY-VXGBXAGGSA-N 1 2 368.821 2.575 20 5 FFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000290063374 257313469 /nfs/dbraw/zinc/31/34/69/257313469.db2.gz XWJPXICSTITISX-XHDPSFHLSA-N 1 2 363.805 2.719 20 5 FFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000290063374 257313470 /nfs/dbraw/zinc/31/34/70/257313470.db2.gz XWJPXICSTITISX-XHDPSFHLSA-N 1 2 363.805 2.719 20 5 FFBDLO Cc1cc(Cl)c(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000295556953 257637442 /nfs/dbraw/zinc/63/74/42/257637442.db2.gz VEOVHGBTLOQZEN-GFCCVEGCSA-N 1 2 360.801 2.960 20 5 FFBDLO Cc1nn(C)c(N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c1[N+](=O)[O-] ZINC000301267591 258038535 /nfs/dbraw/zinc/03/85/35/258038535.db2.gz PYVWMPBZTODMRG-LBPRGKRZSA-N 1 2 365.384 2.991 20 5 FFBDLO Cc1nn(C)c(N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c1[N+](=O)[O-] ZINC000301267591 258038537 /nfs/dbraw/zinc/03/85/37/258038537.db2.gz PYVWMPBZTODMRG-LBPRGKRZSA-N 1 2 365.384 2.991 20 5 FFBDLO COC(=O)c1cc([N+](=O)[O-])c(NCC(C)(C)[NH+]2CCOCC2)cc1Cl ZINC000301377680 258046623 /nfs/dbraw/zinc/04/66/23/258046623.db2.gz YJUMNOBKPGWWKW-UHFFFAOYSA-N 1 2 371.821 2.558 20 5 FFBDLO CCOC(=O)c1cc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc([N+](=O)[O-])c1 ZINC000299605298 258009315 /nfs/dbraw/zinc/00/93/15/258009315.db2.gz YCSGZSQRKZYUAL-UHFFFAOYSA-N 1 2 372.381 2.514 20 5 FFBDLO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000302151770 258091806 /nfs/dbraw/zinc/09/18/06/258091806.db2.gz HXIRQWBSDDLDNS-GHMZBOCLSA-N 1 2 361.489 2.592 20 5 FFBDLO C[C@H](C[N@H+]1CCC[C@@H](C)C1)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000302151770 258091808 /nfs/dbraw/zinc/09/18/08/258091808.db2.gz HXIRQWBSDDLDNS-GHMZBOCLSA-N 1 2 361.489 2.592 20 5 FFBDLO CCOc1cc(N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)ccc1[N+](=O)[O-] ZINC000301561278 258056029 /nfs/dbraw/zinc/05/60/29/258056029.db2.gz IMRFIQMNJJTILE-GFCCVEGCSA-N 1 2 350.444 2.607 20 5 FFBDLO O=[N+]([O-])c1cncc(Br)c1N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000301943020 258076637 /nfs/dbraw/zinc/07/66/37/258076637.db2.gz VVNODLZDQUTIMC-NSHDSACASA-N 1 2 365.187 2.805 20 5 FFBDLO CCN1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000332394705 258228576 /nfs/dbraw/zinc/22/85/76/258228576.db2.gz DUAPXXKJFQNOJY-HNNXBMFYSA-N 1 2 358.402 2.537 20 5 FFBDLO CC(C)N1C(=O)N[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000332580664 258236257 /nfs/dbraw/zinc/23/62/57/258236257.db2.gz IGTRSVFBVSONJW-KGLIPLIRSA-N 1 2 352.822 2.625 20 5 FFBDLO CC(C)N1C(=O)N[C@@H]2C[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000332580664 258236258 /nfs/dbraw/zinc/23/62/58/258236258.db2.gz IGTRSVFBVSONJW-KGLIPLIRSA-N 1 2 352.822 2.625 20 5 FFBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000331631511 258194312 /nfs/dbraw/zinc/19/43/12/258194312.db2.gz HZWBQPJKRIUXFG-GFCCVEGCSA-N 1 2 361.377 2.954 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000373073511 512159166 /nfs/dbraw/zinc/15/91/66/512159166.db2.gz DVEFQSOSKLUCKO-CYBMUJFWSA-N 1 2 362.817 2.930 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000366816086 512198633 /nfs/dbraw/zinc/19/86/33/512198633.db2.gz DBVPIWUYUNRUQL-UHFFFAOYSA-N 1 2 372.425 2.564 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000366905986 512242403 /nfs/dbraw/zinc/24/24/03/512242403.db2.gz WKBYCIMWPGOJBE-LBPRGKRZSA-N 1 2 359.386 2.748 20 5 FFBDLO CCn1c2ccccc2[nH+]c1CCNc1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000065947350 506398409 /nfs/dbraw/zinc/39/84/09/506398409.db2.gz HTGILQFOXMSMCU-UHFFFAOYSA-N 1 2 367.409 2.979 20 5 FFBDLO CCc1cc(NCCC(=O)NC(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000053557016 506404433 /nfs/dbraw/zinc/40/44/33/506404433.db2.gz BFXUPAJDASZTPH-UHFFFAOYSA-N 1 2 357.414 2.941 20 5 FFBDLO Nc1ncnc2sc3c(c21)CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)C3 ZINC000371260286 512294265 /nfs/dbraw/zinc/29/42/65/512294265.db2.gz ZQMNBQDDAWCBJG-UHFFFAOYSA-N 1 2 371.422 2.619 20 5 FFBDLO Nc1ncnc2sc3c(c21)CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C3 ZINC000371260286 512294268 /nfs/dbraw/zinc/29/42/68/512294268.db2.gz ZQMNBQDDAWCBJG-UHFFFAOYSA-N 1 2 371.422 2.619 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)c1 ZINC000067539064 506917537 /nfs/dbraw/zinc/91/75/37/506917537.db2.gz PDVAFLAXIPVJCL-UHFFFAOYSA-N 1 2 369.421 2.870 20 5 FFBDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)NCc1ccccc1[N+](=O)[O-] ZINC000045622987 506993579 /nfs/dbraw/zinc/99/35/79/506993579.db2.gz OUGJDDRKPHZLOG-UHFFFAOYSA-N 1 2 365.393 2.839 20 5 FFBDLO COc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)c2[nH+]ccn2C)cc1 ZINC000016473072 507092173 /nfs/dbraw/zinc/09/21/73/507092173.db2.gz MYLMETHEDSOZSC-OAHLLOKOSA-N 1 2 372.406 2.918 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000068196719 507146303 /nfs/dbraw/zinc/14/63/03/507146303.db2.gz JSVKPQFICRRGNW-UHFFFAOYSA-N 1 2 371.393 2.688 20 5 FFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000019945140 507207712 /nfs/dbraw/zinc/20/77/12/507207712.db2.gz ZHMCWESPKLORLD-UHFFFAOYSA-N 1 2 355.394 2.608 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1c1cc(C)no1 ZINC000047273930 507298092 /nfs/dbraw/zinc/29/80/92/507298092.db2.gz MFMQTTBPBKOAIG-AWEZNQCLSA-N 1 2 360.370 2.675 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1c1cc(C)no1 ZINC000047273930 507298098 /nfs/dbraw/zinc/29/80/98/507298098.db2.gz MFMQTTBPBKOAIG-AWEZNQCLSA-N 1 2 360.370 2.675 20 5 FFBDLO O=[N+]([O-])c1c(Nc2cccc(C[NH+]3CCOCC3)c2)nc2sccn21 ZINC000068938077 507366659 /nfs/dbraw/zinc/36/66/59/507366659.db2.gz DQIQYZURRGAZLC-UHFFFAOYSA-N 1 2 359.411 2.880 20 5 FFBDLO CCc1cccc(NC(=O)C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000047743092 507387671 /nfs/dbraw/zinc/38/76/71/507387671.db2.gz NUEKDWPWDROPLU-UHFFFAOYSA-N 1 2 368.437 2.918 20 5 FFBDLO CN(CCCNC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000026347990 507581207 /nfs/dbraw/zinc/58/12/07/507581207.db2.gz PUMCRQGDZZTXKQ-UHFFFAOYSA-N 1 2 370.453 2.669 20 5 FFBDLO CN(CCCNC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000026347990 507581213 /nfs/dbraw/zinc/58/12/13/507581213.db2.gz PUMCRQGDZZTXKQ-UHFFFAOYSA-N 1 2 370.453 2.669 20 5 FFBDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000371354570 512349349 /nfs/dbraw/zinc/34/93/49/512349349.db2.gz MTRSYLDDERPLID-LLVKDONJSA-N 1 2 369.406 2.729 20 5 FFBDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000371354570 512349353 /nfs/dbraw/zinc/34/93/53/512349353.db2.gz MTRSYLDDERPLID-LLVKDONJSA-N 1 2 369.406 2.729 20 5 FFBDLO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000070878117 507651186 /nfs/dbraw/zinc/65/11/86/507651186.db2.gz WJXYSRDGIZVIJV-HNNXBMFYSA-N 1 2 359.382 2.850 20 5 FFBDLO O=C(C[NH+]1CCC([C@@H](O)c2ccccc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000029475767 507778862 /nfs/dbraw/zinc/77/88/62/507778862.db2.gz QUTJKRVFWGITOF-FQEVSTJZSA-N 1 2 369.421 2.979 20 5 FFBDLO CC[N@H+](CCCNS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000064244299 507787430 /nfs/dbraw/zinc/78/74/30/507787430.db2.gz IYYSKPGMDYZCQD-UHFFFAOYSA-N 1 2 369.468 2.851 20 5 FFBDLO CC[N@@H+](CCCNS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000064244299 507787434 /nfs/dbraw/zinc/78/74/34/507787434.db2.gz IYYSKPGMDYZCQD-UHFFFAOYSA-N 1 2 369.468 2.851 20 5 FFBDLO COC(=O)c1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc([N+](=O)[O-])c1 ZINC000030608448 507811587 /nfs/dbraw/zinc/81/15/87/507811587.db2.gz XCGCFWVAOYVLJV-UHFFFAOYSA-N 1 2 366.333 2.819 20 5 FFBDLO COC(=O)c1cc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)oc1C ZINC000030910189 507814670 /nfs/dbraw/zinc/81/46/70/507814670.db2.gz VWKQQGFQDGWMGN-UHFFFAOYSA-N 1 2 359.382 2.605 20 5 FFBDLO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000031564913 507820275 /nfs/dbraw/zinc/82/02/75/507820275.db2.gz WWCKRAZVHGTCEY-MRXNPFEDSA-N 1 2 355.394 2.695 20 5 FFBDLO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000031564913 507820276 /nfs/dbraw/zinc/82/02/76/507820276.db2.gz WWCKRAZVHGTCEY-MRXNPFEDSA-N 1 2 355.394 2.695 20 5 FFBDLO Cn1c2ccc(NC(=O)Cn3ccc([N+](=O)[O-])n3)cc2[nH+]c1C(C)(C)C ZINC000089870633 507876774 /nfs/dbraw/zinc/87/67/74/507876774.db2.gz JKGSIEZEXJERNQ-UHFFFAOYSA-N 1 2 356.386 2.614 20 5 FFBDLO Cc1ccccc1[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)CO1 ZINC000090550789 507927032 /nfs/dbraw/zinc/92/70/32/507927032.db2.gz DCPFRJJICGVOQC-QAPCUYQASA-N 1 2 357.410 2.527 20 5 FFBDLO Cc1ccccc1[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)CO1 ZINC000090550789 507927033 /nfs/dbraw/zinc/92/70/33/507927033.db2.gz DCPFRJJICGVOQC-QAPCUYQASA-N 1 2 357.410 2.527 20 5 FFBDLO O=[N+]([O-])c1ccccc1N1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000110113146 508008116 /nfs/dbraw/zinc/00/81/16/508008116.db2.gz BMRGNQZIBMJBIQ-UHFFFAOYSA-N 1 2 368.441 2.702 20 5 FFBDLO O=[N+]([O-])c1ccccc1N1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000110113146 508008118 /nfs/dbraw/zinc/00/81/18/508008118.db2.gz BMRGNQZIBMJBIQ-UHFFFAOYSA-N 1 2 368.441 2.702 20 5 FFBDLO O=C(C[N@@H+]1CCc2cc(F)ccc2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000091895967 508022739 /nfs/dbraw/zinc/02/27/39/508022739.db2.gz XFHVNSZJUIKLRS-UHFFFAOYSA-N 1 2 355.369 2.681 20 5 FFBDLO O=C(C[N@H+]1CCc2cc(F)ccc2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000091895967 508022740 /nfs/dbraw/zinc/02/27/40/508022740.db2.gz XFHVNSZJUIKLRS-UHFFFAOYSA-N 1 2 355.369 2.681 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000111314454 508089711 /nfs/dbraw/zinc/08/97/11/508089711.db2.gz FMSIFGCJZCCVQT-WHKIEGFNSA-N 1 2 353.806 2.563 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000111314454 508089713 /nfs/dbraw/zinc/08/97/13/508089713.db2.gz FMSIFGCJZCCVQT-WHKIEGFNSA-N 1 2 353.806 2.563 20 5 FFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000111314452 508089738 /nfs/dbraw/zinc/08/97/38/508089738.db2.gz FMSIFGCJZCCVQT-HQFGAJJPSA-N 1 2 353.806 2.563 20 5 FFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000111314452 508089739 /nfs/dbraw/zinc/08/97/39/508089739.db2.gz FMSIFGCJZCCVQT-HQFGAJJPSA-N 1 2 353.806 2.563 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000080917017 508111807 /nfs/dbraw/zinc/11/18/07/508111807.db2.gz KMEKNBUSOSRQNW-GFCCVEGCSA-N 1 2 359.382 2.768 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000080917017 508111810 /nfs/dbraw/zinc/11/18/10/508111810.db2.gz KMEKNBUSOSRQNW-GFCCVEGCSA-N 1 2 359.382 2.768 20 5 FFBDLO Cc1c(C[N@@H+](CC(=O)N2CCCC2)C[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000076049771 508152868 /nfs/dbraw/zinc/15/28/68/508152868.db2.gz FCQGQHWIRWZWRH-KRWDZBQOSA-N 1 2 361.442 2.507 20 5 FFBDLO Cc1c(C[N@H+](CC(=O)N2CCCC2)C[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000076049771 508152871 /nfs/dbraw/zinc/15/28/71/508152871.db2.gz FCQGQHWIRWZWRH-KRWDZBQOSA-N 1 2 361.442 2.507 20 5 FFBDLO O=[N+]([O-])c1ccc2oc(C[NH+]3CCN(c4ccccc4O)CC3)nc2c1 ZINC000083127295 508237096 /nfs/dbraw/zinc/23/70/96/508237096.db2.gz LKQCWAITTMYSPT-UHFFFAOYSA-N 1 2 354.366 2.764 20 5 FFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000085785658 508316564 /nfs/dbraw/zinc/31/65/64/508316564.db2.gz ZVCCMCKLNSDTJS-AWEZNQCLSA-N 1 2 355.394 2.819 20 5 FFBDLO O=C(C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)NCCCc1ccccc1 ZINC000088605536 508377894 /nfs/dbraw/zinc/37/78/94/508377894.db2.gz LQUDZBCBRRBUJG-UHFFFAOYSA-N 1 2 353.422 2.702 20 5 FFBDLO O=C(C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)NCCCc1ccccc1 ZINC000088605536 508377898 /nfs/dbraw/zinc/37/78/98/508377898.db2.gz LQUDZBCBRRBUJG-UHFFFAOYSA-N 1 2 353.422 2.702 20 5 FFBDLO Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000156362903 508408509 /nfs/dbraw/zinc/40/85/09/508408509.db2.gz UWAKHJYPRZPZMM-LBPRGKRZSA-N 1 2 356.382 2.731 20 5 FFBDLO Cc1ccc(S(=O)(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000116602176 508537420 /nfs/dbraw/zinc/53/74/20/508537420.db2.gz QNACFUNCKVPZRE-UHFFFAOYSA-N 1 2 358.379 2.890 20 5 FFBDLO O=C(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N1CCC[C@H](C(F)(F)F)C1 ZINC000153210381 508559993 /nfs/dbraw/zinc/55/99/93/508559993.db2.gz DPNZDPWUDHVGAR-ZDUSSCGKSA-N 1 2 371.359 2.754 20 5 FFBDLO O=C(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N1CCC[C@H](C(F)(F)F)C1 ZINC000153210381 508559996 /nfs/dbraw/zinc/55/99/96/508559996.db2.gz DPNZDPWUDHVGAR-ZDUSSCGKSA-N 1 2 371.359 2.754 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2nc(C)c(C)s2)CC1 ZINC000157450261 508567615 /nfs/dbraw/zinc/56/76/15/508567615.db2.gz OTMJNQLCRYSFFN-UHFFFAOYSA-N 1 2 362.455 2.999 20 5 FFBDLO COc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153289706 508568069 /nfs/dbraw/zinc/56/80/69/508568069.db2.gz WIQHPDQSMHRGLI-AWEZNQCLSA-N 1 2 369.421 2.666 20 5 FFBDLO COc1ccccc1CNC(=O)[C@H](C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153289706 508568073 /nfs/dbraw/zinc/56/80/73/508568073.db2.gz WIQHPDQSMHRGLI-AWEZNQCLSA-N 1 2 369.421 2.666 20 5 FFBDLO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000135567800 508624845 /nfs/dbraw/zinc/62/48/45/508624845.db2.gz GYJHZGGXWHXGIC-OAHLLOKOSA-N 1 2 368.397 2.888 20 5 FFBDLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000135567800 508624848 /nfs/dbraw/zinc/62/48/48/508624848.db2.gz GYJHZGGXWHXGIC-OAHLLOKOSA-N 1 2 368.397 2.888 20 5 FFBDLO CCOC(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000158113947 508659472 /nfs/dbraw/zinc/65/94/72/508659472.db2.gz ALXDDONLGSUYOX-UHFFFAOYSA-N 1 2 358.341 2.971 20 5 FFBDLO Cc1c(C(=O)NCCCNc2cccc[nH+]2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000136157862 508675418 /nfs/dbraw/zinc/67/54/18/508675418.db2.gz FYAGAXCUXWQICH-UHFFFAOYSA-N 1 2 373.369 2.747 20 5 FFBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000154537749 508804696 /nfs/dbraw/zinc/80/46/96/508804696.db2.gz CCYYYORHBKBFCK-MRXNPFEDSA-N 1 2 369.425 2.577 20 5 FFBDLO Cc1ccc(C)c([C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)[C@H](C)CO2)c1 ZINC000159850226 508900134 /nfs/dbraw/zinc/90/01/34/508900134.db2.gz BNGLURJMOXXKFH-APWZRJJASA-N 1 2 371.437 2.835 20 5 FFBDLO Cc1ccc(C)c([C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)[C@H](C)CO2)c1 ZINC000159850226 508900136 /nfs/dbraw/zinc/90/01/36/508900136.db2.gz BNGLURJMOXXKFH-APWZRJJASA-N 1 2 371.437 2.835 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000120043317 508916127 /nfs/dbraw/zinc/91/61/27/508916127.db2.gz AGBYHFMCDBWGMO-UHFFFAOYSA-N 1 2 369.425 2.956 20 5 FFBDLO C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131459980 508934879 /nfs/dbraw/zinc/93/48/79/508934879.db2.gz BITLOQDEJZGLPH-CQSZACIVSA-N 1 2 351.406 2.931 20 5 FFBDLO C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131459980 508934882 /nfs/dbraw/zinc/93/48/82/508934882.db2.gz BITLOQDEJZGLPH-CQSZACIVSA-N 1 2 351.406 2.931 20 5 FFBDLO CCc1cc(NC[C@]2(CCO)CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000131596691 508952850 /nfs/dbraw/zinc/95/28/50/508952850.db2.gz LVORELCNQBLOGU-IBGZPJMESA-N 1 2 372.425 2.815 20 5 FFBDLO Cc1sc(S(=O)(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000125317811 508964496 /nfs/dbraw/zinc/96/44/96/508964496.db2.gz INBVJXJEKAECFI-JTQLQIEISA-N 1 2 356.429 2.604 20 5 FFBDLO CCOc1ccc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000120958343 509097882 /nfs/dbraw/zinc/09/78/82/509097882.db2.gz XMAPSLKZRBWUHW-HNNXBMFYSA-N 1 2 357.366 2.682 20 5 FFBDLO COC(=O)CC[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000151971047 509121637 /nfs/dbraw/zinc/12/16/37/509121637.db2.gz VPAXNOGGSBKLAU-GFCCVEGCSA-N 1 2 356.806 2.792 20 5 FFBDLO COC(=O)CC[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000151971047 509121641 /nfs/dbraw/zinc/12/16/41/509121641.db2.gz VPAXNOGGSBKLAU-GFCCVEGCSA-N 1 2 356.806 2.792 20 5 FFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1F)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000126808431 509131887 /nfs/dbraw/zinc/13/18/87/509131887.db2.gz JMGSVEGLPJMPLG-UHFFFAOYSA-N 1 2 362.748 2.894 20 5 FFBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)c1ccc([N+](=O)[O-])c2nonc21 ZINC000263910101 509223541 /nfs/dbraw/zinc/22/35/41/509223541.db2.gz KGEHVDPVBPVDCK-UHFFFAOYSA-N 1 2 356.264 2.526 20 5 FFBDLO COc1ccc(CN(C)Cc2[nH+]ccn2CC(F)(F)F)cc1[N+](=O)[O-] ZINC000264046024 509302239 /nfs/dbraw/zinc/30/22/39/509302239.db2.gz GOCOYUOURAKSMX-UHFFFAOYSA-N 1 2 358.320 2.994 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000182841775 509455011 /nfs/dbraw/zinc/45/50/11/509455011.db2.gz GJFBJEXQTNETJC-IAGOWNOFSA-N 1 2 374.485 2.593 20 5 FFBDLO CC[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000183016888 509549244 /nfs/dbraw/zinc/54/92/44/509549244.db2.gz RXILNZBULDYDEY-HNNXBMFYSA-N 1 2 367.402 2.622 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000268058501 509739836 /nfs/dbraw/zinc/73/98/36/509739836.db2.gz OOCMOQXQUPZSSY-ZDUSSCGKSA-N 1 2 364.427 2.503 20 5 FFBDLO Cc1nc2sccn2c1C[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000268272128 509844449 /nfs/dbraw/zinc/84/44/49/509844449.db2.gz SXQUXCXZYUKXSU-UHFFFAOYSA-N 1 2 359.411 2.683 20 5 FFBDLO Cc1nc2sccn2c1C[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000268272128 509844458 /nfs/dbraw/zinc/84/44/58/509844458.db2.gz SXQUXCXZYUKXSU-UHFFFAOYSA-N 1 2 359.411 2.683 20 5 FFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000177182918 509922560 /nfs/dbraw/zinc/92/25/60/509922560.db2.gz IQIGUOGHOXXUSM-CQSZACIVSA-N 1 2 355.394 2.819 20 5 FFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000245445868 509941097 /nfs/dbraw/zinc/94/10/97/509941097.db2.gz ZHJXVTUETATOTL-OTYXRUKQSA-N 1 2 372.303 2.705 20 5 FFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000245445868 509941105 /nfs/dbraw/zinc/94/11/05/509941105.db2.gz ZHJXVTUETATOTL-OTYXRUKQSA-N 1 2 372.303 2.705 20 5 FFBDLO Cc1nc(N2CCN(Cc3cc([N+](=O)[O-])ccc3OC(C)C)CC2)cc[nH+]1 ZINC000183762349 509964296 /nfs/dbraw/zinc/96/42/96/509964296.db2.gz VMPMEUZQOFCUII-UHFFFAOYSA-N 1 2 371.441 2.803 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000193585067 509977735 /nfs/dbraw/zinc/97/77/35/509977735.db2.gz RUJQZKYSENXXBL-CYBMUJFWSA-N 1 2 373.413 2.535 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000193585067 509977745 /nfs/dbraw/zinc/97/77/45/509977745.db2.gz RUJQZKYSENXXBL-CYBMUJFWSA-N 1 2 373.413 2.535 20 5 FFBDLO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000184146835 510160826 /nfs/dbraw/zinc/16/08/26/510160826.db2.gz ODTQIBAZIZIUPP-JTQLQIEISA-N 1 2 350.400 2.658 20 5 FFBDLO COc1cc(C[N@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)c([N+](=O)[O-])cc1F ZINC000184271027 510231046 /nfs/dbraw/zinc/23/10/46/510231046.db2.gz DUJJREXFMPCUNO-UHOFOFEASA-N 1 2 354.378 2.511 20 5 FFBDLO COc1cc(C[N@@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)c([N+](=O)[O-])cc1F ZINC000184271027 510231052 /nfs/dbraw/zinc/23/10/52/510231052.db2.gz DUJJREXFMPCUNO-UHOFOFEASA-N 1 2 354.378 2.511 20 5 FFBDLO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCCc3[nH]cc[nH+]3)cc2[N+](=O)[O-])C1 ZINC000174745374 510288646 /nfs/dbraw/zinc/28/86/46/510288646.db2.gz BYHQABVTWVAMIK-OKILXGFUSA-N 1 2 371.441 2.773 20 5 FFBDLO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC(n2cc[nH+]c2)CC1 ZINC000181201588 510300047 /nfs/dbraw/zinc/30/00/47/510300047.db2.gz ZNYPBNSJCOLSIT-UHFFFAOYSA-N 1 2 366.324 2.870 20 5 FFBDLO COc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1O ZINC000194366074 510328902 /nfs/dbraw/zinc/32/89/02/510328902.db2.gz HGQXSGQDJMXTQU-UHFFFAOYSA-N 1 2 354.322 2.747 20 5 FFBDLO CC[C@]1(CO)CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000187618674 510355298 /nfs/dbraw/zinc/35/52/98/510355298.db2.gz XTCYLCPGMWORGF-INIZCTEOSA-N 1 2 355.822 2.671 20 5 FFBDLO CC[C@]1(CO)CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000187618674 510355306 /nfs/dbraw/zinc/35/53/06/510355306.db2.gz XTCYLCPGMWORGF-INIZCTEOSA-N 1 2 355.822 2.671 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000194714033 510492435 /nfs/dbraw/zinc/49/24/35/510492435.db2.gz VBVVNTLOCLSCLZ-HNNXBMFYSA-N 1 2 354.410 2.817 20 5 FFBDLO COc1ccc(C(=O)NC(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000181829081 510614359 /nfs/dbraw/zinc/61/43/59/510614359.db2.gz IOKPOZABBCISKH-ZDUSSCGKSA-N 1 2 371.393 2.519 20 5 FFBDLO C[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1)[N@H+](C)Cc1ccccc1 ZINC000175386053 510619520 /nfs/dbraw/zinc/61/95/20/510619520.db2.gz DGQCWWGDHDMWNB-AWEZNQCLSA-N 1 2 357.410 2.941 20 5 FFBDLO C[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1)[N@@H+](C)Cc1ccccc1 ZINC000175386053 510619527 /nfs/dbraw/zinc/61/95/27/510619527.db2.gz DGQCWWGDHDMWNB-AWEZNQCLSA-N 1 2 357.410 2.941 20 5 FFBDLO C[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000246705395 510627520 /nfs/dbraw/zinc/62/75/20/510627520.db2.gz KWPPKDREGWPIDM-SGTLLEGYSA-N 1 2 373.384 2.795 20 5 FFBDLO C[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000246705395 510627522 /nfs/dbraw/zinc/62/75/22/510627522.db2.gz KWPPKDREGWPIDM-SGTLLEGYSA-N 1 2 373.384 2.795 20 5 FFBDLO COc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000178728437 510740805 /nfs/dbraw/zinc/74/08/05/510740805.db2.gz SOOJWKHPENADRX-CYBMUJFWSA-N 1 2 355.394 2.989 20 5 FFBDLO COc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000178728437 510740812 /nfs/dbraw/zinc/74/08/12/510740812.db2.gz SOOJWKHPENADRX-CYBMUJFWSA-N 1 2 355.394 2.989 20 5 FFBDLO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1nc(C2CCCCC2)no1 ZINC000185275647 510784530 /nfs/dbraw/zinc/78/45/30/510784530.db2.gz ONJBMXVKYXRTJK-GFCCVEGCSA-N 1 2 361.402 2.538 20 5 FFBDLO Cc1c(CC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)cccc1[N+](=O)[O-] ZINC000178810748 510785875 /nfs/dbraw/zinc/78/58/75/510785875.db2.gz OOVZAWQZYPULKG-UHFFFAOYSA-N 1 2 371.412 2.929 20 5 FFBDLO CCn1nc(C)c([N+](=O)[O-])c1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000195340035 510791442 /nfs/dbraw/zinc/79/14/42/510791442.db2.gz LLXBNWBWWFRODC-UHFFFAOYSA-N 1 2 373.461 2.668 20 5 FFBDLO COc1ccc(C[N@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000182172818 510793094 /nfs/dbraw/zinc/79/30/94/510793094.db2.gz PAEDCCKGRJITGW-UHFFFAOYSA-N 1 2 364.423 2.509 20 5 FFBDLO COc1ccc(C[N@@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000182172818 510793101 /nfs/dbraw/zinc/79/31/01/510793101.db2.gz PAEDCCKGRJITGW-UHFFFAOYSA-N 1 2 364.423 2.509 20 5 FFBDLO CC1(C)CN(CC(F)(F)F)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000182230065 510824884 /nfs/dbraw/zinc/82/48/84/510824884.db2.gz WUAFZUDYTRVHQT-UHFFFAOYSA-N 1 2 361.364 2.932 20 5 FFBDLO CC1(C)CN(CC(F)(F)F)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000182230065 510824892 /nfs/dbraw/zinc/82/48/92/510824892.db2.gz WUAFZUDYTRVHQT-UHFFFAOYSA-N 1 2 361.364 2.932 20 5 FFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000247194134 510850475 /nfs/dbraw/zinc/85/04/75/510850475.db2.gz WTGSEYYDUPIKLY-QWHCGFSZSA-N 1 2 363.414 2.585 20 5 FFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000247194134 510850476 /nfs/dbraw/zinc/85/04/76/510850476.db2.gz WTGSEYYDUPIKLY-QWHCGFSZSA-N 1 2 363.414 2.585 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000361233903 511017540 /nfs/dbraw/zinc/01/75/40/511017540.db2.gz FDRRZHSTNVVSGN-QWHCGFSZSA-N 1 2 370.331 2.655 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000361233903 511017547 /nfs/dbraw/zinc/01/75/47/511017547.db2.gz FDRRZHSTNVVSGN-QWHCGFSZSA-N 1 2 370.331 2.655 20 5 FFBDLO C[NH+](C)[C@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000294322406 511027311 /nfs/dbraw/zinc/02/73/11/511027311.db2.gz JZYHYJBTEVFJEG-OAHLLOKOSA-N 1 2 359.382 2.570 20 5 FFBDLO COc1cc(C(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)c([N+](=O)[O-])cc1F ZINC000297793363 511070333 /nfs/dbraw/zinc/07/03/33/511070333.db2.gz ROOFMHMXXJNFGA-AWEZNQCLSA-N 1 2 362.361 2.699 20 5 FFBDLO Cc1cc(C2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)[nH]n1 ZINC000271601261 511258936 /nfs/dbraw/zinc/25/89/36/511258936.db2.gz IGBCHQJCGAZEBM-ZDUSSCGKSA-N 1 2 357.414 2.833 20 5 FFBDLO Cc1cc(C2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000271601261 511258944 /nfs/dbraw/zinc/25/89/44/511258944.db2.gz IGBCHQJCGAZEBM-ZDUSSCGKSA-N 1 2 357.414 2.833 20 5 FFBDLO CCC(=O)N1CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000363085536 511343561 /nfs/dbraw/zinc/34/35/61/511343561.db2.gz XQPDJYGTBIKDRF-ZDUSSCGKSA-N 1 2 373.413 2.650 20 5 FFBDLO CCC(=O)N1CCC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000363085536 511343568 /nfs/dbraw/zinc/34/35/68/511343568.db2.gz XQPDJYGTBIKDRF-ZDUSSCGKSA-N 1 2 373.413 2.650 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)Cc1cn2c([nH+]1)CCCC2 ZINC000365403213 511429726 /nfs/dbraw/zinc/42/97/26/511429726.db2.gz LYYZJMYAGCIHAR-UHFFFAOYSA-N 1 2 357.414 2.507 20 5 FFBDLO CCn1cc[nH+]c1CNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000295522391 511433212 /nfs/dbraw/zinc/43/32/12/511433212.db2.gz AWIPAIHSEOEMGS-UHFFFAOYSA-N 1 2 371.441 2.978 20 5 FFBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000298997826 511480106 /nfs/dbraw/zinc/48/01/06/511480106.db2.gz JMIDBSXRUUHNBR-HNNXBMFYSA-N 1 2 371.441 2.846 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](OC)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000296014332 511589955 /nfs/dbraw/zinc/58/99/55/511589955.db2.gz MSGCBHYIKHELAJ-INIZCTEOSA-N 1 2 365.430 2.679 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](OC)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000296014332 511589960 /nfs/dbraw/zinc/58/99/60/511589960.db2.gz MSGCBHYIKHELAJ-INIZCTEOSA-N 1 2 365.430 2.679 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000280890492 511642156 /nfs/dbraw/zinc/64/21/56/511642156.db2.gz BQJKVCWWOGUPQA-AWEZNQCLSA-N 1 2 358.398 2.801 20 5 FFBDLO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000281046187 511701094 /nfs/dbraw/zinc/70/10/94/511701094.db2.gz XAAWJACNXSZYBF-UHFFFAOYSA-N 1 2 359.382 2.630 20 5 FFBDLO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000274089307 511715850 /nfs/dbraw/zinc/71/58/50/511715850.db2.gz IKEKJYBJFMOYPP-INIZCTEOSA-N 1 2 364.423 2.864 20 5 FFBDLO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000274089307 511715853 /nfs/dbraw/zinc/71/58/53/511715853.db2.gz IKEKJYBJFMOYPP-INIZCTEOSA-N 1 2 364.423 2.864 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000296506915 511771659 /nfs/dbraw/zinc/77/16/59/511771659.db2.gz OIKDQHPUJGMXDC-OAHLLOKOSA-N 1 2 357.414 2.664 20 5 FFBDLO C[N@H+](Cc1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1)[C@H]1CCSC1 ZINC000350586791 511846257 /nfs/dbraw/zinc/84/62/57/511846257.db2.gz AAIKMIGTRXINTH-ZDUSSCGKSA-N 1 2 373.438 2.987 20 5 FFBDLO C[N@@H+](Cc1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1)[C@H]1CCSC1 ZINC000350586791 511846262 /nfs/dbraw/zinc/84/62/62/511846262.db2.gz AAIKMIGTRXINTH-ZDUSSCGKSA-N 1 2 373.438 2.987 20 5 FFBDLO CCn1cc[nH+]c1CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000296789528 511897680 /nfs/dbraw/zinc/89/76/80/511897680.db2.gz IERQBFCYZQDLRM-UHFFFAOYSA-N 1 2 371.319 2.829 20 5 FFBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2cccc(N3CCOCC3)n2)c1 ZINC000274742884 511927665 /nfs/dbraw/zinc/92/76/65/511927665.db2.gz CYRUMVLVLUAZTA-UHFFFAOYSA-N 1 2 362.817 2.770 20 5 FFBDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCCc1ccccc1[N+](=O)[O-])C2 ZINC000364069612 511942407 /nfs/dbraw/zinc/94/24/07/511942407.db2.gz JLNSLQUTJRUYQP-CQSZACIVSA-N 1 2 356.426 2.905 20 5 FFBDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCCc1ccccc1[N+](=O)[O-])CC2 ZINC000364069612 511942415 /nfs/dbraw/zinc/94/24/15/511942415.db2.gz JLNSLQUTJRUYQP-CQSZACIVSA-N 1 2 356.426 2.905 20 5 FFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN(C)[C@@H](c2nc(C3CC3)no2)C1 ZINC000285033349 511976564 /nfs/dbraw/zinc/97/65/64/511976564.db2.gz VQXBUZGTGSVKIP-BLLLJJGKSA-N 1 2 357.414 2.905 20 5 FFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCN(C)[C@@H](c2nc(C3CC3)no2)C1 ZINC000285033349 511976570 /nfs/dbraw/zinc/97/65/70/511976570.db2.gz VQXBUZGTGSVKIP-BLLLJJGKSA-N 1 2 357.414 2.905 20 5 FFBDLO C[C@H](NC(=O)N1CC[NH+](Cc2cccnc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000296999442 511981103 /nfs/dbraw/zinc/98/11/03/511981103.db2.gz YWHFEBWHEDSGOU-HNNXBMFYSA-N 1 2 369.425 2.578 20 5 FFBDLO COC[C@@H]1CC[N@@H+]1Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000293550171 512006415 /nfs/dbraw/zinc/00/64/15/512006415.db2.gz DXIFBSXXXIXCSN-NSHDSACASA-N 1 2 364.320 2.765 20 5 FFBDLO COC[C@@H]1CC[N@H+]1Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000293550171 512006418 /nfs/dbraw/zinc/00/64/18/512006418.db2.gz DXIFBSXXXIXCSN-NSHDSACASA-N 1 2 364.320 2.765 20 5 FFBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CC=C(c3ccnn3C)CC2)cccc1[N+](=O)[O-] ZINC000375686302 512455697 /nfs/dbraw/zinc/45/56/97/512455697.db2.gz BLZLAUCXIOGGKD-AWEZNQCLSA-N 1 2 369.425 2.753 20 5 FFBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC=C(c3ccnn3C)CC2)cccc1[N+](=O)[O-] ZINC000375686302 512455700 /nfs/dbraw/zinc/45/57/00/512455700.db2.gz BLZLAUCXIOGGKD-AWEZNQCLSA-N 1 2 369.425 2.753 20 5 FFBDLO CC[C@H]1C[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000373815548 512518892 /nfs/dbraw/zinc/51/88/92/512518892.db2.gz QLXFIJJSASSXTA-SUMWQHHRSA-N 1 2 354.378 2.512 20 5 FFBDLO CC[C@H]1C[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000373815548 512518896 /nfs/dbraw/zinc/51/88/96/512518896.db2.gz QLXFIJJSASSXTA-SUMWQHHRSA-N 1 2 354.378 2.512 20 5 FFBDLO Cn1cc([C@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])c2ccccc2)cn1 ZINC000371754277 512556007 /nfs/dbraw/zinc/55/60/07/512556007.db2.gz SLBXIERHSDCXPD-LJQANCHMSA-N 1 2 365.393 2.646 20 5 FFBDLO Cc1ccc([C@H](C)NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000378263147 512663483 /nfs/dbraw/zinc/66/34/83/512663483.db2.gz HIDAHJZHBXKWIO-DZGCQCFKSA-N 1 2 357.414 2.897 20 5 FFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCCc2c(cnn2C)C1 ZINC000411852183 512843753 /nfs/dbraw/zinc/84/37/53/512843753.db2.gz YJFJZBXFNXKTRR-LBPRGKRZSA-N 1 2 368.397 2.888 20 5 FFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCCc2c(cnn2C)C1 ZINC000411852183 512843759 /nfs/dbraw/zinc/84/37/59/512843759.db2.gz YJFJZBXFNXKTRR-LBPRGKRZSA-N 1 2 368.397 2.888 20 5 FFBDLO COc1cc(C[N@@H+]2CCCO[C@H](CF)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000411849700 512844061 /nfs/dbraw/zinc/84/40/61/512844061.db2.gz DYKCLUFDFJZFLY-LLVKDONJSA-N 1 2 364.320 2.765 20 5 FFBDLO COc1cc(C[N@H+]2CCCO[C@H](CF)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000411849700 512844065 /nfs/dbraw/zinc/84/40/65/512844065.db2.gz DYKCLUFDFJZFLY-LLVKDONJSA-N 1 2 364.320 2.765 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411938965 512881638 /nfs/dbraw/zinc/88/16/38/512881638.db2.gz KEDIMRWYIVQSDE-WMZOPIPTSA-N 1 2 355.394 2.650 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411938965 512881643 /nfs/dbraw/zinc/88/16/43/512881643.db2.gz KEDIMRWYIVQSDE-WMZOPIPTSA-N 1 2 355.394 2.650 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000372453329 512883177 /nfs/dbraw/zinc/88/31/77/512883177.db2.gz CGDLZHRCVVRHHT-LBPRGKRZSA-N 1 2 372.425 2.871 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000372453329 512883180 /nfs/dbraw/zinc/88/31/80/512883180.db2.gz CGDLZHRCVVRHHT-LBPRGKRZSA-N 1 2 372.425 2.871 20 5 FFBDLO O=C(NCc1[nH+]ccn1CC(F)(F)F)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411992628 512904454 /nfs/dbraw/zinc/90/44/54/512904454.db2.gz VQGVPHZAKLIBAW-QWHCGFSZSA-N 1 2 368.315 2.774 20 5 FFBDLO C[C@H](O)c1cn(C2C[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2)nn1 ZINC000374815593 513017422 /nfs/dbraw/zinc/01/74/22/513017422.db2.gz CTJDDLGFOFYYPH-LBPRGKRZSA-N 1 2 369.381 2.557 20 5 FFBDLO CC(C)[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCO1 ZINC000450395458 513174815 /nfs/dbraw/zinc/17/48/15/513174815.db2.gz ZPURJTARBRHPNE-YOEHRIQHSA-N 1 2 358.398 2.714 20 5 FFBDLO CC[C@H](C)[C@@H](CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])OC ZINC000450625409 513278661 /nfs/dbraw/zinc/27/86/61/513278661.db2.gz UGIXWDVPNOTREL-KBXCAEBGSA-N 1 2 351.447 2.900 20 5 FFBDLO CN(C)C(=O)c1ccccc1C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418094012 513370486 /nfs/dbraw/zinc/37/04/86/513370486.db2.gz UESHPVZPPZBWJZ-UHFFFAOYSA-N 1 2 355.394 2.560 20 5 FFBDLO CC[C@@H](C)[NH+]1CCN(c2ncc([N+](=O)[O-])c(C)c2Br)CC1 ZINC000450861795 513372518 /nfs/dbraw/zinc/37/25/18/513372518.db2.gz PYCXQYIFAKOZSS-SNVBAGLBSA-N 1 2 357.252 2.981 20 5 FFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCCCc3nnc4n3CCCCC4)c2c1 ZINC000413121054 513460398 /nfs/dbraw/zinc/46/03/98/513460398.db2.gz UCUXHXNAWNHONT-UHFFFAOYSA-N 1 2 366.425 2.928 20 5 FFBDLO CC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425402142 513547375 /nfs/dbraw/zinc/54/73/75/513547375.db2.gz QZGOQKYJNPTSKX-GFCCVEGCSA-N 1 2 370.247 2.705 20 5 FFBDLO CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425402142 513547383 /nfs/dbraw/zinc/54/73/83/513547383.db2.gz QZGOQKYJNPTSKX-GFCCVEGCSA-N 1 2 370.247 2.705 20 5 FFBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCc3c(Cl)c(Cl)ccc3C2)c1 ZINC000441475203 513577024 /nfs/dbraw/zinc/57/70/24/513577024.db2.gz NEDGQCOSPJHPAE-LBPRGKRZSA-N 1 2 371.224 2.517 20 5 FFBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCc3c(Cl)c(Cl)ccc3C2)c1 ZINC000441475203 513577032 /nfs/dbraw/zinc/57/70/32/513577032.db2.gz NEDGQCOSPJHPAE-LBPRGKRZSA-N 1 2 371.224 2.517 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@@H]1Cc2cccc(O)c2C1 ZINC000447809778 513577268 /nfs/dbraw/zinc/57/72/68/513577268.db2.gz CRAAPQYKBXBVMS-MRXNPFEDSA-N 1 2 369.421 2.712 20 5 FFBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000430412477 513647114 /nfs/dbraw/zinc/64/71/14/513647114.db2.gz DKKSLRRZMLZSNE-UHFFFAOYSA-N 1 2 353.382 2.881 20 5 FFBDLO CC(C)(C)CC[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451372672 513707563 /nfs/dbraw/zinc/70/75/63/513707563.db2.gz YFBWFAVIXXMZQG-AWEZNQCLSA-N 1 2 360.414 2.698 20 5 FFBDLO COc1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])cc1F ZINC000448559399 513782942 /nfs/dbraw/zinc/78/29/42/513782942.db2.gz ZLNXRCUBNPVJHI-UHFFFAOYSA-N 1 2 373.384 2.701 20 5 FFBDLO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](CO)c1ccccc1 ZINC000436265028 513812344 /nfs/dbraw/zinc/81/23/44/513812344.db2.gz XHWNQCAMHYRQAD-MRXNPFEDSA-N 1 2 363.801 2.852 20 5 FFBDLO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](CO)c1ccccc1 ZINC000436265028 513812349 /nfs/dbraw/zinc/81/23/49/513812349.db2.gz XHWNQCAMHYRQAD-MRXNPFEDSA-N 1 2 363.801 2.852 20 5 FFBDLO CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000451550064 513826358 /nfs/dbraw/zinc/82/63/58/513826358.db2.gz QRSSJHWLZHWWPA-LBPRGKRZSA-N 1 2 358.807 2.647 20 5 FFBDLO CC[C@@H](NC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000443104322 513872891 /nfs/dbraw/zinc/87/28/91/513872891.db2.gz AGZMGMOURVBSQH-GFCCVEGCSA-N 1 2 364.427 2.827 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCC(O)(C(F)F)CC3)co2)cc1 ZINC000426239862 513880961 /nfs/dbraw/zinc/88/09/61/513880961.db2.gz QBEPPDVNSMAHJI-UHFFFAOYSA-N 1 2 353.325 2.842 20 5 FFBDLO CCc1oc(C(=O)OC)cc1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000426413744 513932540 /nfs/dbraw/zinc/93/25/40/513932540.db2.gz YJSDDDUPQMZBTD-UHFFFAOYSA-N 1 2 373.409 2.859 20 5 FFBDLO CN(CCCn1cc[nH+]c1)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000427099203 514115569 /nfs/dbraw/zinc/11/55/69/514115569.db2.gz FULZCZHEHIUUTN-UHFFFAOYSA-N 1 2 366.805 2.762 20 5 FFBDLO CN([C@@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000432257141 514139878 /nfs/dbraw/zinc/13/98/78/514139878.db2.gz FQFOVXYQCUKZCT-MRXNPFEDSA-N 1 2 372.406 2.728 20 5 FFBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000444405365 514222400 /nfs/dbraw/zinc/22/24/00/514222400.db2.gz YOYUJBBAWIVGHS-UHFFFAOYSA-N 1 2 360.414 2.915 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000452173768 514228882 /nfs/dbraw/zinc/22/88/82/514228882.db2.gz ZZUHUPUBMUUZPR-PKOBYXMFSA-N 1 2 368.393 2.564 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCOC[C@H]1CC1CCC1 ZINC000452171895 514229175 /nfs/dbraw/zinc/22/91/75/514229175.db2.gz UTNVZMQJQCOWSV-MRXNPFEDSA-N 1 2 370.409 2.812 20 5 FFBDLO COC(=O)Cc1ccc(NC2CCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000450255760 514567339 /nfs/dbraw/zinc/56/73/39/514567339.db2.gz CWRNZTZVHZTXFC-UHFFFAOYSA-N 1 2 370.409 2.786 20 5 FFBDLO Cc1cc(C)c(CNC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c[nH+]1 ZINC000455537701 514578808 /nfs/dbraw/zinc/57/88/08/514578808.db2.gz CIGXDPNGGSGSHJ-UHFFFAOYSA-N 1 2 369.425 2.638 20 5 FFBDLO C[C@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCN1C(=O)c1cscn1 ZINC000453576501 514695740 /nfs/dbraw/zinc/69/57/40/514695740.db2.gz QIFOHVDXNJHQDH-SDQPKGBYSA-N 1 2 372.450 2.911 20 5 FFBDLO C[C@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCN1C(=O)c1cscn1 ZINC000453576501 514695750 /nfs/dbraw/zinc/69/57/50/514695750.db2.gz QIFOHVDXNJHQDH-SDQPKGBYSA-N 1 2 372.450 2.911 20 5 FFBDLO Cc1cc(N2CC[C@@H]([NH+]3CCOCC3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461960620 514807836 /nfs/dbraw/zinc/80/78/36/514807836.db2.gz VZLDGLBUTGBCDH-GFCCVEGCSA-N 1 2 359.348 2.833 20 5 FFBDLO Cc1cc(N2CCN(c3ccc([N+](=O)[O-])c(N)c3F)CC2)nc(C(C)C)[nH+]1 ZINC000471252053 514814876 /nfs/dbraw/zinc/81/48/76/514814876.db2.gz JKQOVFYGMMWFNX-UHFFFAOYSA-N 1 2 374.420 2.865 20 5 FFBDLO Nc1c(F)c(NC[C@@H](c2cccs2)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000476097221 514915503 /nfs/dbraw/zinc/91/55/03/514915503.db2.gz AOIODWYFJMAMIS-ZDUSSCGKSA-N 1 2 366.418 2.863 20 5 FFBDLO O=C(CSc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccco2)CC1 ZINC000509088555 515017987 /nfs/dbraw/zinc/01/79/87/515017987.db2.gz CSPFTSHZPGIMGA-UHFFFAOYSA-N 1 2 361.423 2.624 20 5 FFBDLO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000503694835 515121335 /nfs/dbraw/zinc/12/13/35/515121335.db2.gz FHLYRRAJPGUITI-UHFFFAOYSA-N 1 2 355.394 2.826 20 5 FFBDLO Cc1nc(CN(C)c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])cs1 ZINC000472363150 515246510 /nfs/dbraw/zinc/24/65/10/515246510.db2.gz KBUYYQVUZUPYSJ-UHFFFAOYSA-N 1 2 362.455 2.828 20 5 FFBDLO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000468245509 515279081 /nfs/dbraw/zinc/27/90/81/515279081.db2.gz PJJJFORBAZRSQN-GFCCVEGCSA-N 1 2 371.401 2.651 20 5 FFBDLO CNc1c(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cccc1[N+](=O)[O-] ZINC000462934759 515306460 /nfs/dbraw/zinc/30/64/60/515306460.db2.gz CZELDYMISYBSPP-UHFFFAOYSA-N 1 2 369.356 2.891 20 5 FFBDLO CSc1cccc(C(=O)N2CC[NH+](Cc3ccco3)CC2)c1[N+](=O)[O-] ZINC000486119786 515341164 /nfs/dbraw/zinc/34/11/64/515341164.db2.gz XBVAITAYBHZRLJ-UHFFFAOYSA-N 1 2 361.423 2.868 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000499675771 515409267 /nfs/dbraw/zinc/40/92/67/515409267.db2.gz BHFOCGWPKKENQW-UHFFFAOYSA-N 1 2 359.382 2.896 20 5 FFBDLO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000505400891 515522818 /nfs/dbraw/zinc/52/28/18/515522818.db2.gz BHSAAGWLMANPRB-UHFFFAOYSA-N 1 2 355.394 2.826 20 5 FFBDLO Cc1cc(OCC(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)ccc1[N+](=O)[O-] ZINC000505484665 515550265 /nfs/dbraw/zinc/55/02/65/515550265.db2.gz UDUMDFLSPHFLIR-QGZVFWFLSA-N 1 2 373.384 2.594 20 5 FFBDLO Cc1cc(N2CC[C@@H](N3CCCC3=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000477800485 515596049 /nfs/dbraw/zinc/59/60/49/515596049.db2.gz OWXPSANFJQCVCH-MRXNPFEDSA-N 1 2 367.409 2.561 20 5 FFBDLO NC(=O)c1ccc(N2CC[NH+](Cc3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 ZINC000493129395 515599617 /nfs/dbraw/zinc/59/96/17/515599617.db2.gz FIOKGZVWPWYQPH-UHFFFAOYSA-N 1 2 374.828 2.669 20 5 FFBDLO COC(=O)COc1ccc(C[N@@H+]2Cc3ccc(C)cc3C2)cc1[N+](=O)[O-] ZINC000482440835 515676293 /nfs/dbraw/zinc/67/62/93/515676293.db2.gz RYPOPSPMIYRGIZ-UHFFFAOYSA-N 1 2 356.378 2.971 20 5 FFBDLO COC(=O)COc1ccc(C[N@H+]2Cc3ccc(C)cc3C2)cc1[N+](=O)[O-] ZINC000482440835 515676300 /nfs/dbraw/zinc/67/63/00/515676300.db2.gz RYPOPSPMIYRGIZ-UHFFFAOYSA-N 1 2 356.378 2.971 20 5 FFBDLO C[C@@]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)(C(N)=O)c1cccc(Cl)c1 ZINC000482681604 515766886 /nfs/dbraw/zinc/76/68/86/515766886.db2.gz HUHOGIGWROTTRS-KRWDZBQOSA-N 1 2 373.800 2.615 20 5 FFBDLO COc1c(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cccc1[N+](=O)[O-] ZINC000474292468 515976516 /nfs/dbraw/zinc/97/65/16/515976516.db2.gz VSDKUTWZYKJGEK-UHFFFAOYSA-N 1 2 371.393 2.688 20 5 FFBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000483247102 516001646 /nfs/dbraw/zinc/00/16/46/516001646.db2.gz VYECFNKEFXYBQD-CYBMUJFWSA-N 1 2 367.409 2.905 20 5 FFBDLO O=[N+]([O-])c1cnc2ccccc2c1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC000487912015 516029182 /nfs/dbraw/zinc/02/91/82/516029182.db2.gz QJUJCGDACMRRPF-UHFFFAOYSA-N 1 2 351.366 2.540 20 5 FFBDLO Cc1ccc2[nH+]c(CNC(=O)COc3ccc([N+](=O)[O-])c(C)c3)cn2c1 ZINC000460321834 516114853 /nfs/dbraw/zinc/11/48/53/516114853.db2.gz ANIIJDOWNDXKOV-UHFFFAOYSA-N 1 2 354.366 2.555 20 5 FFBDLO CN(C(=O)C[N@H+](C)C[C@@H]1OCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000507266578 516146273 /nfs/dbraw/zinc/14/62/73/516146273.db2.gz YFOAEFCHEKFREQ-IBGZPJMESA-N 1 2 369.421 2.803 20 5 FFBDLO CN(C(=O)C[N@@H+](C)C[C@@H]1OCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000507266578 516146283 /nfs/dbraw/zinc/14/62/83/516146283.db2.gz YFOAEFCHEKFREQ-IBGZPJMESA-N 1 2 369.421 2.803 20 5 FFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(Cc2nc(C)no2)CC1 ZINC000470172191 516160904 /nfs/dbraw/zinc/16/09/04/516160904.db2.gz STCGZCUMDIXUPM-GXDHUFHOSA-N 1 2 357.414 2.507 20 5 FFBDLO O=C(NCCc1[nH]cc[nH+]1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000488350134 516201766 /nfs/dbraw/zinc/20/17/66/516201766.db2.gz YWJAXGYMJOATRA-UHFFFAOYSA-N 1 2 365.393 2.903 20 5 FFBDLO O=C(NCc1cn2ccccc2[nH+]1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000483830894 516222927 /nfs/dbraw/zinc/22/29/27/516222927.db2.gz PSQSZMNYRDVLKZ-UHFFFAOYSA-N 1 2 362.292 2.774 20 5 FFBDLO Cc1ccc2c(c1)CC[N@@H+](CC(=O)N1CCc3cc([N+](=O)[O-])ccc31)C2 ZINC000483986770 516270726 /nfs/dbraw/zinc/27/07/26/516270726.db2.gz XIWIALKGSMVGJR-UHFFFAOYSA-N 1 2 351.406 2.851 20 5 FFBDLO Cc1ccc2c(c1)CC[N@H+](CC(=O)N1CCc3cc([N+](=O)[O-])ccc31)C2 ZINC000483986770 516270730 /nfs/dbraw/zinc/27/07/30/516270730.db2.gz XIWIALKGSMVGJR-UHFFFAOYSA-N 1 2 351.406 2.851 20 5 FFBDLO NC(=O)N[C@H]1CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000539895152 516343541 /nfs/dbraw/zinc/34/35/41/516343541.db2.gz NBBJNXBOKOHXGA-AWEZNQCLSA-N 1 2 374.372 2.769 20 5 FFBDLO NC(=O)N[C@H]1CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000539895152 516343549 /nfs/dbraw/zinc/34/35/49/516343549.db2.gz NBBJNXBOKOHXGA-AWEZNQCLSA-N 1 2 374.372 2.769 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000561114820 516388401 /nfs/dbraw/zinc/38/84/01/516388401.db2.gz XNISDOQDQAHYID-KRWDZBQOSA-N 1 2 353.382 2.620 20 5 FFBDLO C[C@@H](O)C[C@H]1CCCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000561185681 516435408 /nfs/dbraw/zinc/43/54/08/516435408.db2.gz QTDJXQAHQZXYPX-GDBMZVCRSA-N 1 2 372.425 2.936 20 5 FFBDLO O=C(Nc1cccc(CCCO)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000543845864 516457840 /nfs/dbraw/zinc/45/78/40/516457840.db2.gz UOFOVZVMKLFHIZ-UHFFFAOYSA-N 1 2 366.377 2.958 20 5 FFBDLO C[N@H+]1Cc2ccccc2[C@@H](Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000535731147 516474378 /nfs/dbraw/zinc/47/43/78/516474378.db2.gz VGWOFGQTLFSGHN-HNNXBMFYSA-N 1 2 361.423 2.597 20 5 FFBDLO C[N@@H+]1Cc2ccccc2[C@@H](Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000535731147 516474384 /nfs/dbraw/zinc/47/43/84/516474384.db2.gz VGWOFGQTLFSGHN-HNNXBMFYSA-N 1 2 361.423 2.597 20 5 FFBDLO O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000531664926 516587591 /nfs/dbraw/zinc/58/75/91/516587591.db2.gz JTCJKEMISUDVDZ-JKSUJKDBSA-N 1 2 373.409 2.714 20 5 FFBDLO COc1cc[nH+]cc1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000558247937 516662837 /nfs/dbraw/zinc/66/28/37/516662837.db2.gz KZWFRHYPOYLTTK-UHFFFAOYSA-N 1 2 355.272 2.947 20 5 FFBDLO CCc1ccc([C@H]([NH2+]C[C@H](C)S(C)(=O)=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544381134 516733338 /nfs/dbraw/zinc/73/33/38/516733338.db2.gz IKPCIRHQYIDGLY-YVEFUNNKSA-N 1 2 366.439 2.862 20 5 FFBDLO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513998570 516827458 /nfs/dbraw/zinc/82/74/58/516827458.db2.gz DDAGOCHOPDXZCM-MRXNPFEDSA-N 1 2 359.813 2.964 20 5 FFBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000514149112 516880954 /nfs/dbraw/zinc/88/09/54/516880954.db2.gz YSYJNNMDGDXXGC-CYBMUJFWSA-N 1 2 358.373 2.648 20 5 FFBDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)O1 ZINC000558740397 516921647 /nfs/dbraw/zinc/92/16/47/516921647.db2.gz IEEAFBPZFRLHBL-YVFQKMDQSA-N 1 2 368.817 2.932 20 5 FFBDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)O1 ZINC000558740397 516921656 /nfs/dbraw/zinc/92/16/56/516921656.db2.gz IEEAFBPZFRLHBL-YVFQKMDQSA-N 1 2 368.817 2.932 20 5 FFBDLO C[C@@H]1OCC[C@]1(O)C[N@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000555461991 516936401 /nfs/dbraw/zinc/93/64/01/516936401.db2.gz AWZRCWGJGDQGCO-YWZLYKJASA-N 1 2 372.421 2.843 20 5 FFBDLO C[C@@H]1OCC[C@]1(O)C[N@@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000555461991 516936406 /nfs/dbraw/zinc/93/64/06/516936406.db2.gz AWZRCWGJGDQGCO-YWZLYKJASA-N 1 2 372.421 2.843 20 5 FFBDLO C[C@H]1C[C@@H](NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c2[nH+]ccn21 ZINC000514713839 517017611 /nfs/dbraw/zinc/01/76/11/517017611.db2.gz HHPRZRCYEJBDBY-MEDUHNTESA-N 1 2 368.397 2.820 20 5 FFBDLO O=C(Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1)c1ccc([N+](=O)[O-])cc1 ZINC000515135259 517224046 /nfs/dbraw/zinc/22/40/46/517224046.db2.gz ATGAIECXEZYLOZ-UHFFFAOYSA-N 1 2 367.365 2.560 20 5 FFBDLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000562764820 517377430 /nfs/dbraw/zinc/37/74/30/517377430.db2.gz YGDQGIZCDUSQPN-LQJRIPTKSA-N 1 2 357.332 2.699 20 5 FFBDLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000562764820 517377432 /nfs/dbraw/zinc/37/74/32/517377432.db2.gz YGDQGIZCDUSQPN-LQJRIPTKSA-N 1 2 357.332 2.699 20 5 FFBDLO Cc1[nH+]c2ccccc2n1CCc1noc(-c2ccc([N+](=O)[O-])cn2)n1 ZINC000545889718 517416404 /nfs/dbraw/zinc/41/64/04/517416404.db2.gz BAEJAUHPYJPFJF-UHFFFAOYSA-N 1 2 350.338 2.941 20 5 FFBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000515888054 517504356 /nfs/dbraw/zinc/50/43/56/517504356.db2.gz DHOHANRROSUBPE-DGCLKSJQSA-N 1 2 359.348 2.913 20 5 FFBDLO COCc1cnc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC000553164785 517553801 /nfs/dbraw/zinc/55/38/01/517553801.db2.gz KAZPHAJVWHBQEX-UHFFFAOYSA-N 1 2 359.367 2.636 20 5 FFBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])cnc2N)c[nH+]c1N1CCCC[C@@H]1C ZINC000546131736 517561208 /nfs/dbraw/zinc/56/12/08/517561208.db2.gz HOZARTXZJMLUJR-LBPRGKRZSA-N 1 2 370.413 2.907 20 5 FFBDLO COc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1Cl ZINC000534272005 517818200 /nfs/dbraw/zinc/81/82/00/517818200.db2.gz YFGDEEOGEHVRQZ-UHFFFAOYSA-N 1 2 362.817 2.974 20 5 FFBDLO Cc1ccc(NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000546795437 517861491 /nfs/dbraw/zinc/86/14/91/517861491.db2.gz VQKVPFQZXZSNIV-UHFFFAOYSA-N 1 2 372.406 2.949 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]CCC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000560530189 517876549 /nfs/dbraw/zinc/87/65/49/517876549.db2.gz OPOWOJQDGHLYIP-MRXNPFEDSA-N 1 2 360.414 2.739 20 5 FFBDLO C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534393310 517877954 /nfs/dbraw/zinc/87/79/54/517877954.db2.gz RUXDKKNFDVBODP-WFASDCNBSA-N 1 2 366.780 2.891 20 5 FFBDLO C[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534393310 517877963 /nfs/dbraw/zinc/87/79/63/517877963.db2.gz RUXDKKNFDVBODP-WFASDCNBSA-N 1 2 366.780 2.891 20 5 FFBDLO COc1cc[nH+]cc1CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000554076975 518050732 /nfs/dbraw/zinc/05/07/32/518050732.db2.gz ICOIVKHHWKJRRG-SNVBAGLBSA-N 1 2 365.773 2.736 20 5 FFBDLO CO[C@@H]1[C@@H](C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1(C)C ZINC000539452113 518056962 /nfs/dbraw/zinc/05/69/62/518056962.db2.gz OVRXKQVCWOBOAC-KNXALSJPSA-N 1 2 358.398 2.570 20 5 FFBDLO O=[N+]([O-])c1cccc2ncnc(NCc3ccc(N4CCCCC4)[nH+]c3)c21 ZINC000543451037 518099432 /nfs/dbraw/zinc/09/94/32/518099432.db2.gz OZMHRCNPEPCGPO-UHFFFAOYSA-N 1 2 364.409 2.957 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H]1C1CCOCC1 ZINC000539720878 518148878 /nfs/dbraw/zinc/14/88/78/518148878.db2.gz HECCIZPHUGYHSL-MRXNPFEDSA-N 1 2 370.409 2.812 20 5 FFBDLO COc1c(C)[nH+]c(C2CC2)nc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000563898768 518220546 /nfs/dbraw/zinc/22/05/46/518220546.db2.gz QOQPDRBQNOIIOC-UHFFFAOYSA-N 1 2 358.402 2.617 20 5 FFBDLO CCc1cc(NCCc2cc(C)no2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000584427785 518336167 /nfs/dbraw/zinc/33/61/67/518336167.db2.gz NZMLVYCFIDHHEP-UHFFFAOYSA-N 1 2 353.382 2.987 20 5 FFBDLO Cc1noc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000564298796 518386199 /nfs/dbraw/zinc/38/61/99/518386199.db2.gz AROLERYYAOJXRT-JGVFFNPUSA-N 1 2 353.766 2.617 20 5 FFBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000584875872 518518772 /nfs/dbraw/zinc/51/87/72/518518772.db2.gz FJPAMOYDDWQHLO-UHFFFAOYSA-N 1 2 374.397 2.635 20 5 FFBDLO CCOc1cc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000585800878 518607940 /nfs/dbraw/zinc/60/79/40/518607940.db2.gz QPHRPIOEUYXYSX-CGTJXYLNSA-N 1 2 364.442 2.745 20 5 FFBDLO CCOc1cc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000585800878 518607944 /nfs/dbraw/zinc/60/79/44/518607944.db2.gz QPHRPIOEUYXYSX-CGTJXYLNSA-N 1 2 364.442 2.745 20 5 FFBDLO CCc1n[nH]c(C(=O)NCc2ccc3c(c2)[nH+]c(C2CC2)n3C)c1[N+](=O)[O-] ZINC000564782839 518612539 /nfs/dbraw/zinc/61/25/39/518612539.db2.gz FMQSZXXUEXMKBF-UHFFFAOYSA-N 1 2 368.397 2.574 20 5 FFBDLO COCC[N@H+](CCOc1ccc(F)cc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000567621004 518619114 /nfs/dbraw/zinc/61/91/14/518619114.db2.gz XJHPYSABEDVIGO-UHFFFAOYSA-N 1 2 364.373 2.967 20 5 FFBDLO COCC[N@@H+](CCOc1ccc(F)cc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000567621004 518619118 /nfs/dbraw/zinc/61/91/18/518619118.db2.gz XJHPYSABEDVIGO-UHFFFAOYSA-N 1 2 364.373 2.967 20 5 FFBDLO O=[N+]([O-])c1cc(I)cc(CNc2cc[nH+]cc2F)c1 ZINC000573890347 518883375 /nfs/dbraw/zinc/88/33/75/518883375.db2.gz NPVCFLMJSPQLRR-UHFFFAOYSA-N 1 2 373.125 2.768 20 5 FFBDLO COc1c(C)[nH+]c(C2CC2)nc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000571105793 518929022 /nfs/dbraw/zinc/92/90/22/518929022.db2.gz PWBPPXQWLLLJKY-UHFFFAOYSA-N 1 2 369.425 2.906 20 5 FFBDLO COC(=O)[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@@H](OC)C1 ZINC000574046210 518962334 /nfs/dbraw/zinc/96/23/34/518962334.db2.gz FITLZIFDAPPNHU-SXVPMFKMSA-N 1 2 362.426 2.944 20 5 FFBDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc([N+](=O)[O-])cn3C)n2)C1 ZINC000589647595 519055411 /nfs/dbraw/zinc/05/54/11/519055411.db2.gz GEVDTBHICLFPOM-NSHDSACASA-N 1 2 363.443 2.874 20 5 FFBDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc([N+](=O)[O-])cn3C)n2)C1 ZINC000589647595 519055415 /nfs/dbraw/zinc/05/54/15/519055415.db2.gz GEVDTBHICLFPOM-NSHDSACASA-N 1 2 363.443 2.874 20 5 FFBDLO Cc1c[nH+]c2cc(C(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)ccn12 ZINC000574337238 519106494 /nfs/dbraw/zinc/10/64/94/519106494.db2.gz PEQULKHKCBDBGJ-UHFFFAOYSA-N 1 2 365.393 2.513 20 5 FFBDLO Cn1cc[nH+]c1[C@H](Nc1cnn(CC(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000574553709 519214634 /nfs/dbraw/zinc/21/46/34/519214634.db2.gz LXPWMIDAUAEAOX-OAHLLOKOSA-N 1 2 362.340 2.991 20 5 FFBDLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590775038 519362138 /nfs/dbraw/zinc/36/21/38/519362138.db2.gz OJPNPBJGIBERJE-JKSUJKDBSA-N 1 2 354.410 2.760 20 5 FFBDLO CN(c1nc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)cs1)C1CC1 ZINC000602962844 519994397 /nfs/dbraw/zinc/99/43/97/519994397.db2.gz PQEUUNXWWLERKJ-QGZVFWFLSA-N 1 2 362.455 2.647 20 5 FFBDLO CO[C@H](C)c1nc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cs1 ZINC000602966143 519996959 /nfs/dbraw/zinc/99/69/59/519996959.db2.gz YEHUOQPVYBJXDT-BZNIZROVSA-N 1 2 351.428 2.756 20 5 FFBDLO COCCC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000600179122 520105246 /nfs/dbraw/zinc/10/52/46/520105246.db2.gz IYABFDFLGFILDV-UHFFFAOYSA-N 1 2 358.398 2.669 20 5 FFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1 ZINC000600208876 520126572 /nfs/dbraw/zinc/12/65/72/520126572.db2.gz PKANSDGARHCZMN-RSPPDBIESA-N 1 2 360.382 2.682 20 5 FFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1 ZINC000600208876 520126580 /nfs/dbraw/zinc/12/65/80/520126580.db2.gz PKANSDGARHCZMN-RSPPDBIESA-N 1 2 360.382 2.682 20 5 FFBDLO CCOc1ccc(C(=O)NCc2[nH+]ccn2CC(F)(F)F)cc1[N+](=O)[O-] ZINC000609037925 520180153 /nfs/dbraw/zinc/18/01/53/520180153.db2.gz UTQRZEAREKJVHK-UHFFFAOYSA-N 1 2 372.303 2.682 20 5 FFBDLO COc1ccc(C[NH2+][C@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000609042073 520182249 /nfs/dbraw/zinc/18/22/49/520182249.db2.gz SBTKZDTTXWQPBQ-SFHVURJKSA-N 1 2 373.384 2.852 20 5 FFBDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000600297734 520186924 /nfs/dbraw/zinc/18/69/24/520186924.db2.gz DAJUWHJMHKKBGA-CQSZACIVSA-N 1 2 361.423 2.669 20 5 FFBDLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000600297734 520186939 /nfs/dbraw/zinc/18/69/39/520186939.db2.gz DAJUWHJMHKKBGA-CQSZACIVSA-N 1 2 361.423 2.669 20 5 FFBDLO CNc1ccc(C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)cc1[N+](=O)[O-] ZINC000609129607 520199437 /nfs/dbraw/zinc/19/94/37/520199437.db2.gz ZSBIMUWFTFHXLT-UHFFFAOYSA-N 1 2 371.319 2.668 20 5 FFBDLO CCc1nnc(C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)o1 ZINC000592130385 520205898 /nfs/dbraw/zinc/20/58/98/520205898.db2.gz GSEAVIRUJOHQGZ-SHTZXODSSA-N 1 2 360.414 2.846 20 5 FFBDLO CCc1nnc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)o1 ZINC000592130385 520205906 /nfs/dbraw/zinc/20/59/06/520205906.db2.gz GSEAVIRUJOHQGZ-SHTZXODSSA-N 1 2 360.414 2.846 20 5 FFBDLO CCn1nncc1C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132694 520207829 /nfs/dbraw/zinc/20/78/29/520207829.db2.gz MXYXHRPHMGDXAW-JCNLHEQBSA-N 1 2 359.430 2.512 20 5 FFBDLO CCn1nncc1C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132694 520207841 /nfs/dbraw/zinc/20/78/41/520207841.db2.gz MXYXHRPHMGDXAW-JCNLHEQBSA-N 1 2 359.430 2.512 20 5 FFBDLO O=C(NC1CC1)[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000592141588 520217051 /nfs/dbraw/zinc/21/70/51/520217051.db2.gz LCQCKUSOPHTBEL-IBGZPJMESA-N 1 2 351.406 2.800 20 5 FFBDLO O=C(NC1CC1)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000592141588 520217058 /nfs/dbraw/zinc/21/70/58/520217058.db2.gz LCQCKUSOPHTBEL-IBGZPJMESA-N 1 2 351.406 2.800 20 5 FFBDLO COC(=O)c1cccc2c1C[N@H+](CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000592159049 520235087 /nfs/dbraw/zinc/23/50/87/520235087.db2.gz RAEXWODVHBCWEZ-UHFFFAOYSA-N 1 2 356.378 2.819 20 5 FFBDLO COC(=O)c1cccc2c1C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000592159049 520235091 /nfs/dbraw/zinc/23/50/91/520235091.db2.gz RAEXWODVHBCWEZ-UHFFFAOYSA-N 1 2 356.378 2.819 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccccc1S(C)(=O)=O ZINC000595051221 520269690 /nfs/dbraw/zinc/26/96/90/520269690.db2.gz LSYQBEMIUYVXFL-LBPRGKRZSA-N 1 2 364.423 2.858 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)cn1 ZINC000603581944 520314003 /nfs/dbraw/zinc/31/40/03/520314003.db2.gz ZHFILYYIOFTUAJ-UHFFFAOYSA-N 1 2 365.393 2.967 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000597939827 520339159 /nfs/dbraw/zinc/33/91/59/520339159.db2.gz CHXCCGLNSFVRLP-UHFFFAOYSA-N 1 2 356.382 2.529 20 5 FFBDLO COc1ccc(Cl)cc1C[NH+]1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000603847740 520374618 /nfs/dbraw/zinc/37/46/18/520374618.db2.gz PUERUFFDHDRCLZ-UHFFFAOYSA-N 1 2 362.817 2.974 20 5 FFBDLO COc1ccc(C)cc1C[NH+]1CCN(Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595287028 520384791 /nfs/dbraw/zinc/38/47/91/520384791.db2.gz JYACQXYQYZOUPI-UHFFFAOYSA-N 1 2 360.414 2.526 20 5 FFBDLO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595332023 520412559 /nfs/dbraw/zinc/41/25/59/520412559.db2.gz BGRIYFCJYQYCFB-KBPBESRZSA-N 1 2 351.403 2.835 20 5 FFBDLO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595332023 520412564 /nfs/dbraw/zinc/41/25/64/520412564.db2.gz BGRIYFCJYQYCFB-KBPBESRZSA-N 1 2 351.403 2.835 20 5 FFBDLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595364445 520430640 /nfs/dbraw/zinc/43/06/40/520430640.db2.gz QNXNMOMPTOGRHJ-LLVKDONJSA-N 1 2 367.402 2.574 20 5 FFBDLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595364445 520430647 /nfs/dbraw/zinc/43/06/47/520430647.db2.gz QNXNMOMPTOGRHJ-LLVKDONJSA-N 1 2 367.402 2.574 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@@H](CCO)C1 ZINC000609849085 520457590 /nfs/dbraw/zinc/45/75/90/520457590.db2.gz YSVQSZFGUXDENQ-NEPJUHHUSA-N 1 2 355.822 2.670 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@H](CCO)C1 ZINC000609849085 520457594 /nfs/dbraw/zinc/45/75/94/520457594.db2.gz YSVQSZFGUXDENQ-NEPJUHHUSA-N 1 2 355.822 2.670 20 5 FFBDLO CN(Cc1cccc(O)c1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000604179691 520472202 /nfs/dbraw/zinc/47/22/02/520472202.db2.gz BFVGPUKHNXCLBZ-UHFFFAOYSA-N 1 2 352.350 2.758 20 5 FFBDLO Cn1cc([C@@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)C2(CO)CCC2)cn1 ZINC000595491960 520505161 /nfs/dbraw/zinc/50/51/61/520505161.db2.gz FNCHKOVKQJTQJV-MRXNPFEDSA-N 1 2 366.368 2.600 20 5 FFBDLO Cc1noc(C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000595493764 520506402 /nfs/dbraw/zinc/50/64/02/520506402.db2.gz VJPGCGJYVZOKJG-AWEZNQCLSA-N 1 2 370.203 2.651 20 5 FFBDLO C[C@H]1CC2(CN1C(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)CCOCC2 ZINC000592722360 520543274 /nfs/dbraw/zinc/54/32/74/520543274.db2.gz VMODPRFTQHNXOM-AWEZNQCLSA-N 1 2 370.409 2.812 20 5 FFBDLO O=C(NC1CC1)c1ccc(N2CCC[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000610276417 520618259 /nfs/dbraw/zinc/61/82/59/520618259.db2.gz UYVVBIFQNYYZJW-OAHLLOKOSA-N 1 2 355.398 2.525 20 5 FFBDLO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000601101801 520636822 /nfs/dbraw/zinc/63/68/22/520636822.db2.gz UVFWKQGJBPJTAI-UHFFFAOYSA-N 1 2 370.335 2.954 20 5 FFBDLO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC1CCN(c2cccc[nH+]2)CC1 ZINC000601105293 520638140 /nfs/dbraw/zinc/63/81/40/520638140.db2.gz YGBUOEMYDBSFIG-UHFFFAOYSA-N 1 2 370.335 2.823 20 5 FFBDLO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C(F)(F)F)O1 ZINC000610413097 520673497 /nfs/dbraw/zinc/67/34/97/520673497.db2.gz CHALHPZEQHKJKC-MFKMUULPSA-N 1 2 361.320 2.575 20 5 FFBDLO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C(F)(F)F)O1 ZINC000610413097 520673505 /nfs/dbraw/zinc/67/35/05/520673505.db2.gz CHALHPZEQHKJKC-MFKMUULPSA-N 1 2 361.320 2.575 20 5 FFBDLO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCc1cc[nH+]c(N2CCCC2)c1 ZINC000593019153 520688341 /nfs/dbraw/zinc/68/83/41/520688341.db2.gz PJWBHBUJABWXLG-UHFFFAOYSA-N 1 2 358.373 2.588 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCC[C@@H]2c2ccnn2C)c1 ZINC000593029855 520695137 /nfs/dbraw/zinc/69/51/37/520695137.db2.gz YSNZFNWTOODZEL-QGZVFWFLSA-N 1 2 358.398 2.842 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCCC[C@@H]2c2ccnn2C)c1 ZINC000593029855 520695140 /nfs/dbraw/zinc/69/51/40/520695140.db2.gz YSNZFNWTOODZEL-QGZVFWFLSA-N 1 2 358.398 2.842 20 5 FFBDLO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000595750373 520697933 /nfs/dbraw/zinc/69/79/33/520697933.db2.gz SJBJDEZIQVSDRJ-ZDUSSCGKSA-N 1 2 359.213 2.764 20 5 FFBDLO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000595750373 520697939 /nfs/dbraw/zinc/69/79/39/520697939.db2.gz SJBJDEZIQVSDRJ-ZDUSSCGKSA-N 1 2 359.213 2.764 20 5 FFBDLO O=[N+]([O-])c1ccn(CC[NH+]2CCN(c3cc(Cl)ccc3Cl)CC2)n1 ZINC000593053229 520710794 /nfs/dbraw/zinc/71/07/94/520710794.db2.gz QXYJVPCOYMNDDQ-UHFFFAOYSA-N 1 2 370.240 2.920 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H](OC(C)C)C2)c([N+](=O)[O-])c1 ZINC000593055280 520711068 /nfs/dbraw/zinc/71/10/68/520711068.db2.gz JBPBHWBQVVBNEK-HNNXBMFYSA-N 1 2 365.430 2.821 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H](OC(C)C)C2)c([N+](=O)[O-])c1 ZINC000593055280 520711071 /nfs/dbraw/zinc/71/10/71/520711071.db2.gz 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ZINC000596432190 521069413 /nfs/dbraw/zinc/06/94/13/521069413.db2.gz RCXZTOLZEKICPO-QWRGUYRKSA-N 1 2 371.821 2.556 20 5 FFBDLO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1-n1c[nH+]c(CCCO)c1 ZINC000618584179 521135409 /nfs/dbraw/zinc/13/54/09/521135409.db2.gz LTXSBSBVZZFDGI-UHFFFAOYSA-N 1 2 366.246 2.755 20 5 FFBDLO CN(CCO)c1ccc(N[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)[nH+]c1 ZINC000611475679 521175659 /nfs/dbraw/zinc/17/56/59/521175659.db2.gz ZBHQRWLMNZZYGD-QGZVFWFLSA-N 1 2 356.426 2.852 20 5 FFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+](Cc1ccccc1)[C@@]1(CO)CCOC1 ZINC000599396745 521197454 /nfs/dbraw/zinc/19/74/54/521197454.db2.gz ZTNSWOAZPNKIMO-LJQANCHMSA-N 1 2 360.385 2.888 20 5 FFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+](Cc1ccccc1)[C@@]1(CO)CCOC1 ZINC000599396745 521197459 /nfs/dbraw/zinc/19/74/59/521197459.db2.gz ZTNSWOAZPNKIMO-LJQANCHMSA-N 1 2 360.385 2.888 20 5 FFBDLO COc1ccc(NCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])[nH+]c1 ZINC000611520710 521200473 /nfs/dbraw/zinc/20/04/73/521200473.db2.gz 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RYZVQOFHJDJKMK-UHFFFAOYSA-N 1 2 352.192 2.531 20 5 FFBDLO C[NH+](C)Cc1csc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000900315361 735628519 /nfs/dbraw/zinc/62/85/19/735628519.db2.gz VEJAYFDQZJDRQC-UHFFFAOYSA-N 1 2 354.819 2.696 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000907131983 736587996 /nfs/dbraw/zinc/58/79/96/736587996.db2.gz KVBHEYXQCSMWNK-ZDUSSCGKSA-N 1 2 362.817 2.930 20 5 FFBDLO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000769193820 737505994 /nfs/dbraw/zinc/50/59/94/737505994.db2.gz ABGBAUOUMXUKDX-LBPRGKRZSA-N 1 2 351.403 2.647 20 5 FFBDLO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000769193820 737505997 /nfs/dbraw/zinc/50/59/97/737505997.db2.gz ABGBAUOUMXUKDX-LBPRGKRZSA-N 1 2 351.403 2.647 20 5 FFBDLO CS(=O)(=O)Nc1cccc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000769426642 737528457 /nfs/dbraw/zinc/52/84/57/737528457.db2.gz USFGIWPCJAVDIU-UHFFFAOYSA-N 1 2 361.423 2.525 20 5 FFBDLO CS(=O)(=O)Nc1cccc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000769426642 737528461 /nfs/dbraw/zinc/52/84/61/737528461.db2.gz USFGIWPCJAVDIU-UHFFFAOYSA-N 1 2 361.423 2.525 20 5 FFBDLO CC(C)[N@@H+](Cc1c(Br)cccc1[N+](=O)[O-])C[C@H]1CCC(=O)N1 ZINC000930740393 739155899 /nfs/dbraw/zinc/15/58/99/739155899.db2.gz RDJTXIXSPBDSOD-LLVKDONJSA-N 1 2 370.247 2.846 20 5 FFBDLO CC(C)[N@H+](Cc1c(Br)cccc1[N+](=O)[O-])C[C@H]1CCC(=O)N1 ZINC000930740393 739155901 /nfs/dbraw/zinc/15/59/01/739155901.db2.gz RDJTXIXSPBDSOD-LLVKDONJSA-N 1 2 370.247 2.846 20 5 FFBDLO CC(C)(C)OC[C@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000932167177 739397179 /nfs/dbraw/zinc/39/71/79/739397179.db2.gz KCUATKCMOHOXJI-OAHLLOKOSA-N 1 2 370.471 2.648 20 5 FFBDLO CC(C)(C)OC[C@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000932167177 739397186 /nfs/dbraw/zinc/39/71/86/739397186.db2.gz KCUATKCMOHOXJI-OAHLLOKOSA-N 1 2 370.471 2.648 20 5 FFBDLO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCc1ccn2cc[nH+]c2c1 ZINC000790896433 739510056 /nfs/dbraw/zinc/51/00/56/739510056.db2.gz NKJWVIXNVTZLBJ-UHFFFAOYSA-N 1 2 362.748 2.894 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000824615230 743117333 /nfs/dbraw/zinc/11/73/33/743117333.db2.gz CJPYCKPRSRMZNW-HNNXBMFYSA-N 1 2 351.403 2.656 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000824615230 743117334 /nfs/dbraw/zinc/11/73/34/743117334.db2.gz CJPYCKPRSRMZNW-HNNXBMFYSA-N 1 2 351.403 2.656 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H]2CSC[C@@H]2C1 ZINC000827181378 743527173 /nfs/dbraw/zinc/52/71/73/743527173.db2.gz MFFJPHJSWACPAF-KGLIPLIRSA-N 1 2 358.423 2.606 20 5 FFBDLO Cc1nn(C[N@@H+](C)CCCN(C)C(=O)OC(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000840181779 747029619 /nfs/dbraw/zinc/02/96/19/747029619.db2.gz WDYILEBTJMSRHX-UHFFFAOYSA-N 1 2 355.439 2.554 20 5 FFBDLO Cc1nn(C[N@H+](C)CCCN(C)C(=O)OC(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000840181779 747029631 /nfs/dbraw/zinc/02/96/31/747029631.db2.gz WDYILEBTJMSRHX-UHFFFAOYSA-N 1 2 355.439 2.554 20 5 FFBDLO Cc1nn(C[N@H+]2CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000842615162 747638485 /nfs/dbraw/zinc/63/84/85/747638485.db2.gz MCKFHOICRYSMRV-BXUZGUMPSA-N 1 2 352.435 2.665 20 5 FFBDLO Cc1nn(C[N@@H+]2CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000842615162 747638487 /nfs/dbraw/zinc/63/84/87/747638487.db2.gz MCKFHOICRYSMRV-BXUZGUMPSA-N 1 2 352.435 2.665 20 5 FFBDLO CC(C)(C)OC(=O)C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000844411156 748024699 /nfs/dbraw/zinc/02/46/99/748024699.db2.gz UTWASTRKWZGTCG-MRXNPFEDSA-N 1 2 350.415 2.682 20 5 FFBDLO CC(C)(C)OC(=O)C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000844411156 748024707 /nfs/dbraw/zinc/02/47/07/748024707.db2.gz UTWASTRKWZGTCG-MRXNPFEDSA-N 1 2 350.415 2.682 20 5 FFBDLO O=C1CCC2=C(CC[N@@H+](Cc3cccc([N+](=O)[O-])c3Br)C2)N1 ZINC000852295406 749825400 /nfs/dbraw/zinc/82/54/00/749825400.db2.gz YPFDROGNQWDHIB-UHFFFAOYSA-N 1 2 366.215 2.727 20 5 FFBDLO O=C1CCC2=C(CC[N@H+](Cc3cccc([N+](=O)[O-])c3Br)C2)N1 ZINC000852295406 749825403 /nfs/dbraw/zinc/82/54/03/749825403.db2.gz YPFDROGNQWDHIB-UHFFFAOYSA-N 1 2 366.215 2.727 20 5 FFBDLO COC(=O)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C[C@@H]1C ZINC000852650703 749912493 /nfs/dbraw/zinc/91/24/93/749912493.db2.gz OPRKHFANEYDFTN-CMPLNLGQSA-N 1 2 371.231 2.988 20 5 FFBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C[C@@H]1C ZINC000852650703 749912497 /nfs/dbraw/zinc/91/24/97/749912497.db2.gz OPRKHFANEYDFTN-CMPLNLGQSA-N 1 2 371.231 2.988 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000852667499 749917393 /nfs/dbraw/zinc/91/73/93/749917393.db2.gz GENAJEZOUHNOFZ-IJLUTSLNSA-N 1 2 353.806 2.544 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000852667499 749917397 /nfs/dbraw/zinc/91/73/97/749917397.db2.gz GENAJEZOUHNOFZ-IJLUTSLNSA-N 1 2 353.806 2.544 20 5 FFBDLO CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(CC[N+](=O)[O-])CC1 ZINC001167356316 962318040 /nfs/dbraw/zinc/31/80/40/962318040.db2.gz LZRJXLIOAOPJKJ-HNNXBMFYSA-N 1 2 356.264 2.795 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H](O)c3ccc(F)cc3F)CC2)cc1 ZINC000051093544 963982796 /nfs/dbraw/zinc/98/27/96/963982796.db2.gz LSHMTIKJXPPTED-SFHVURJKSA-N 1 2 363.364 2.729 20 5 FFBDLO Cc1noc(C[N@@H+](C[C@@H](O)COc2cccc(C)c2)C(C)C)c1[N+](=O)[O-] ZINC001167487297 964581895 /nfs/dbraw/zinc/58/18/95/964581895.db2.gz JMGQOPOLXPVHPT-OAHLLOKOSA-N 1 2 363.414 2.850 20 5 FFBDLO Cc1noc(C[N@H+](C[C@@H](O)COc2cccc(C)c2)C(C)C)c1[N+](=O)[O-] ZINC001167487297 964581909 /nfs/dbraw/zinc/58/19/09/964581909.db2.gz JMGQOPOLXPVHPT-OAHLLOKOSA-N 1 2 363.414 2.850 20 5 FFBDLO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000840058495 969053830 /nfs/dbraw/zinc/05/38/30/969053830.db2.gz SSWISPDQHPPVEC-ABAIWWIYSA-N 1 2 373.331 2.764 20 5 FFBDLO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000840058495 969053842 /nfs/dbraw/zinc/05/38/42/969053842.db2.gz SSWISPDQHPPVEC-ABAIWWIYSA-N 1 2 373.331 2.764 20 5 FFBDLO O=C(NCCc1ccc(Cl)nc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000177797363 969345902 /nfs/dbraw/zinc/34/59/02/969345902.db2.gz BSRVYQRFUGZKMQ-UHFFFAOYSA-N 1 2 371.784 2.801 20 5 FFBDLO C[C@H](CNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1[N+](=O)[O-] ZINC000897070322 973221005 /nfs/dbraw/zinc/22/10/05/973221005.db2.gz DJTSSNDQUMFWLP-HUUCEWRRSA-N 1 2 357.414 2.942 20 5 FFBDLO COc1cc(C(=O)N2CC[N@H+](C)Cc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000728834296 975033169 /nfs/dbraw/zinc/03/31/69/975033169.db2.gz VOVLNHIIVCPQIT-UHFFFAOYSA-N 1 2 371.393 2.704 20 5 FFBDLO COc1cc(C(=O)N2CC[N@@H+](C)Cc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000728834296 975033175 /nfs/dbraw/zinc/03/31/75/975033175.db2.gz VOVLNHIIVCPQIT-UHFFFAOYSA-N 1 2 371.393 2.704 20 5 FFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000729852564 975420710 /nfs/dbraw/zinc/42/07/10/975420710.db2.gz RQXBTFVFUXPUOZ-GOSISDBHSA-N 1 2 369.377 2.924 20 5 FFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000729852564 975420715 /nfs/dbraw/zinc/42/07/15/975420715.db2.gz RQXBTFVFUXPUOZ-GOSISDBHSA-N 1 2 369.377 2.924 20 5 FFBDLO O=c1[nH]ccc2oc(C[NH+]3CCN(c4ccccc4[N+](=O)[O-])CC3)cc21 ZINC000876533977 1014294323 /nfs/dbraw/zinc/29/43/23/1014294323.db2.gz YGQXKJQLTRAFOE-UHFFFAOYSA-N 1 2 354.366 2.764 20 5 FFBDLO O=[N+]([O-])c1cccc([C@@H](O)CN2CC[NH+](Cc3cccc(F)c3)CC2)c1 ZINC000178583410 977390310 /nfs/dbraw/zinc/39/03/10/977390310.db2.gz XKXXCAVMVOUAOH-IBGZPJMESA-N 1 2 359.401 2.585 20 5 FFBDLO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCN(Cc3cccc(F)c3)CC2)c1 ZINC000178583410 977390318 /nfs/dbraw/zinc/39/03/18/977390318.db2.gz XKXXCAVMVOUAOH-IBGZPJMESA-N 1 2 359.401 2.585 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@H]1CC[C@H](C2CC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000897509980 981374354 /nfs/dbraw/zinc/37/43/54/981374354.db2.gz HXCYMOSEOGPSOU-KZNAEPCWSA-N 1 2 356.426 2.965 20 5 FFBDLO C[N@H+](CCOCc1ccccc1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000151400187 984281796 /nfs/dbraw/zinc/28/17/96/984281796.db2.gz QNAVUMNZLQNKET-UHFFFAOYSA-N 1 2 367.409 2.959 20 5 FFBDLO C[N@@H+](CCOCc1ccccc1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000151400187 984281802 /nfs/dbraw/zinc/28/18/02/984281802.db2.gz QNAVUMNZLQNKET-UHFFFAOYSA-N 1 2 367.409 2.959 20 5 FFBDLO Cc1sc(C(N)=O)cc1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001127193392 985129334 /nfs/dbraw/zinc/12/93/34/985129334.db2.gz PYVVZKFVVOKRKJ-UHFFFAOYSA-N 1 2 371.378 2.502 20 5 FFBDLO CO[C@H]1C[C@H]2C[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])Cc3cccnc3N2C1 ZINC000879267994 1015447401 /nfs/dbraw/zinc/44/74/01/1015447401.db2.gz BCTQIRCLDLLBGS-IRXDYDNUSA-N 1 2 372.400 2.738 20 5 FFBDLO CO[C@H]1C[C@H]2C[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])Cc3cccnc3N2C1 ZINC000879267994 1015447410 /nfs/dbraw/zinc/44/74/10/1015447410.db2.gz BCTQIRCLDLLBGS-IRXDYDNUSA-N 1 2 372.400 2.738 20 5 FFBDLO COc1ccc([C@@H]2C[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CCO2)cc1 ZINC000879634897 1015621190 /nfs/dbraw/zinc/62/11/90/1015621190.db2.gz ZMVGUCJKDOWSJP-MOPGFXCFSA-N 1 2 358.394 2.710 20 5 FFBDLO COc1ccc([C@@H]2C[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CCO2)cc1 ZINC000879634897 1015621192 /nfs/dbraw/zinc/62/11/92/1015621192.db2.gz ZMVGUCJKDOWSJP-MOPGFXCFSA-N 1 2 358.394 2.710 20 5 FFBDLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001132600217 995013986 /nfs/dbraw/zinc/01/39/86/995013986.db2.gz GMGATPBNSFPOLC-IBGZPJMESA-N 1 2 369.421 2.534 20 5 FFBDLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001132600217 995013998 /nfs/dbraw/zinc/01/39/98/995013998.db2.gz GMGATPBNSFPOLC-IBGZPJMESA-N 1 2 369.421 2.534 20 5 FFBDLO CC1(C)C[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)[C@H]1[C@H]1CCCO1 ZINC000811777218 995240555 /nfs/dbraw/zinc/24/05/55/995240555.db2.gz AZDANTNUMCYASD-CVEARBPZSA-N 1 2 357.414 2.700 20 5 FFBDLO CC1(C)C[N@@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)[C@H]1[C@H]1CCCO1 ZINC000811777218 995240563 /nfs/dbraw/zinc/24/05/63/995240563.db2.gz AZDANTNUMCYASD-CVEARBPZSA-N 1 2 357.414 2.700 20 5 FFBDLO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1occ2c1CCOC2 ZINC000813174150 995633831 /nfs/dbraw/zinc/63/38/31/995633831.db2.gz QTCNWBAOBWMFSP-INIZCTEOSA-N 1 2 372.377 2.692 20 5 FFBDLO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1occ2c1CCOC2 ZINC000813174150 995633833 /nfs/dbraw/zinc/63/38/33/995633833.db2.gz QTCNWBAOBWMFSP-INIZCTEOSA-N 1 2 372.377 2.692 20 5 FFBDLO C[C@@H](C[C@@H](O)c1ccco1)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001137274694 1016062039 /nfs/dbraw/zinc/06/20/39/1016062039.db2.gz CQTWAVFBFMQVQF-BLLLJJGKSA-N 1 2 370.365 2.616 20 5 FFBDLO Cc1c(NC(=O)[C@@H](C)OC(=O)C[C@@H](C)n2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000845275118 998459028 /nfs/dbraw/zinc/45/90/28/998459028.db2.gz CYUGXUKRQZFYAU-DGCLKSJQSA-N 1 2 360.370 2.621 20 5 FFBDLO O=C(Cc1cn2c([nH+]1)CCCC2)O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000845488016 998560153 /nfs/dbraw/zinc/56/01/53/998560153.db2.gz RKFVDDUONLZZBY-GJZGRUSLSA-N 1 2 373.413 2.594 20 5 FFBDLO Cc1c(COC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cccc1[N+](=O)[O-] ZINC000741385781 999725946 /nfs/dbraw/zinc/72/59/46/999725946.db2.gz HZRZRHMBAWRBGZ-LJQANCHMSA-N 1 2 370.405 2.847 20 5 FFBDLO Cc1c(COC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cccc1[N+](=O)[O-] ZINC000741385781 999725947 /nfs/dbraw/zinc/72/59/47/999725947.db2.gz HZRZRHMBAWRBGZ-LJQANCHMSA-N 1 2 370.405 2.847 20 5 FFBDLO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000742401271 999773473 /nfs/dbraw/zinc/77/34/73/999773473.db2.gz RKKSKLDQKWWMIO-GFCCVEGCSA-N 1 2 362.361 2.949 20 5 FFBDLO CC(C)COC(=O)N1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000749254816 999889083 /nfs/dbraw/zinc/88/90/83/999889083.db2.gz YXRCPPSINZPSSZ-UHFFFAOYSA-N 1 2 365.430 2.774 20 5 FFBDLO COC(=O)[C@H](Cc1ccc2ccccc2c1)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169000871 1000014393 /nfs/dbraw/zinc/01/43/93/1000014393.db2.gz ZALQOLYGLVEACQ-IPELMVKDSA-N 1 2 356.422 2.959 20 5 FFBDLO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC000786574791 1001611139 /nfs/dbraw/zinc/61/11/39/1001611139.db2.gz QJQUCLJHAMCNHT-UHFFFAOYSA-N 1 2 369.421 2.998 20 5 FFBDLO Cc1noc(C[NH2+][C@H](C)c2ccc(N3CCCNC3=O)cc2)c1[N+](=O)[O-] ZINC000852070643 1005939086 /nfs/dbraw/zinc/93/90/86/1005939086.db2.gz CYWYFROEVCXHRL-LLVKDONJSA-N 1 2 359.386 2.662 20 5 FFBDLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNc3ncc([N+](=O)[O-])cc3F)C2)cc1 ZINC001187353024 1006055183 /nfs/dbraw/zinc/05/51/83/1006055183.db2.gz YHMTUJFOGLDGJF-INIZCTEOSA-N 1 2 360.389 2.750 20 5 FFBDLO Cc1ccc(C[N@H+]2CCO[C@@H](CNc3ncc([N+](=O)[O-])cc3F)C2)cc1 ZINC001187353024 1006055197 /nfs/dbraw/zinc/05/51/97/1006055197.db2.gz YHMTUJFOGLDGJF-INIZCTEOSA-N 1 2 360.389 2.750 20 5 FFBDLO O=c1oc(-c2ccccc2[N+](=O)[O-])nn1Cc1[nH+]ccn1-c1ccccc1 ZINC001189276345 1007005526 /nfs/dbraw/zinc/00/55/26/1007005526.db2.gz LEPUNDZRAHZMQN-UHFFFAOYSA-N 1 2 363.333 2.646 20 5 FFBDLO COc1cc(N2CC[NH+](Cc3cccc(O)c3)CC2)c([N+](=O)[O-])cc1C ZINC000820644712 1008361260 /nfs/dbraw/zinc/36/12/60/1008361260.db2.gz HBYONZKTJBNQTQ-UHFFFAOYSA-N 1 2 357.410 2.940 20 5 FFBDLO COC(=O)c1ccc(F)c2c1C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000859526405 1008545015 /nfs/dbraw/zinc/54/50/15/1008545015.db2.gz SOJTWPRIRKPHLU-GOSISDBHSA-N 1 2 374.368 2.612 20 5 FFBDLO COC(=O)c1ccc(F)c2c1C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000859526405 1008545028 /nfs/dbraw/zinc/54/50/28/1008545028.db2.gz SOJTWPRIRKPHLU-GOSISDBHSA-N 1 2 374.368 2.612 20 5 FFBDLO CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2Cc1cccnc1[N+](=O)[O-] ZINC000886310382 1008631750 /nfs/dbraw/zinc/63/17/50/1008631750.db2.gz KRCAAMJRISGSEJ-LSDHHAIUSA-N 1 2 362.430 2.964 20 5 FFBDLO CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2Cc1cccnc1[N+](=O)[O-] ZINC000886310382 1008631758 /nfs/dbraw/zinc/63/17/58/1008631758.db2.gz KRCAAMJRISGSEJ-LSDHHAIUSA-N 1 2 362.430 2.964 20 5 FFBDLO Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178116483 1008864143 /nfs/dbraw/zinc/86/41/43/1008864143.db2.gz LPXUNKHHICEQNW-LBPRGKRZSA-N 1 2 358.405 2.763 20 5 FFBDLO Nc1ccc2n(C(=O)[C@H]3CCc4[nH+]ccn4C3)c3ccccc3cc-2c1=O ZINC001178117671 1008864405 /nfs/dbraw/zinc/86/44/05/1008864405.db2.gz DGYGXOCYQNFITD-AWEZNQCLSA-N 1 2 358.401 2.788 20 5 FFBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823956662 1009278340 /nfs/dbraw/zinc/27/83/40/1009278340.db2.gz UCKKWWHVXWXMLM-UHFFFAOYSA-N 1 2 360.418 2.880 20 5 FFBDLO C[C@@]12CSC[C@@H]1CN(C(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)C2 ZINC001180044763 1009541566 /nfs/dbraw/zinc/54/15/66/1009541566.db2.gz SJUQIEHDVWRHBD-SUMWQHHRSA-N 1 2 358.423 2.606 20 5 FFBDLO CC(C)Cc1noc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000863187035 1010123655 /nfs/dbraw/zinc/12/36/55/1010123655.db2.gz VNQXANXOXAJSPP-UHFFFAOYSA-N 1 2 371.353 2.719 20 5 FFBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000865889034 1010883145 /nfs/dbraw/zinc/88/31/45/1010883145.db2.gz BSEILTNIDHLIDD-AWEZNQCLSA-N 1 2 372.400 2.577 20 5 FFBDLO CCOC(=O)C(C)(C)[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173012378 1012184953 /nfs/dbraw/zinc/18/49/53/1012184953.db2.gz ROXZOVDXWRAFJP-UHFFFAOYSA-N 1 2 371.384 2.773 20 5 FFBDLO O=C(NC[C@@H]1CCC12CCOCC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000871587473 1013014398 /nfs/dbraw/zinc/01/43/98/1013014398.db2.gz WKKFNFFQRZSHTO-HNNXBMFYSA-N 1 2 370.409 2.717 20 5 FFBDLO Cc1cc2nc3nc(=O)[nH]c(O[C@@H]4CC[NH2+]CC[C@H]4C)c3nc2cc1C ZINC001218023593 1032957890 /nfs/dbraw/zinc/95/78/90/1032957890.db2.gz JPDKJCMFCRCSDC-MEBBXXQBSA-N 1 2 353.426 2.662 20 5 FFBDLO Cc1cccc([C@H](CNc2c(C)cncc2[N+](=O)[O-])[NH+]2CCOCC2)c1 ZINC001116710830 1021371341 /nfs/dbraw/zinc/37/13/41/1021371341.db2.gz OVKBCLDXGBASJL-KRWDZBQOSA-N 1 2 356.426 2.514 20 5 FFBDLO Nc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccncc2)cc1[N+](=O)[O-] ZINC001118706271 1022361229 /nfs/dbraw/zinc/36/12/29/1022361229.db2.gz KHDHHLYGGRWKPI-INIZCTEOSA-N 1 2 355.398 2.565 20 5 FFBDLO Nc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccncc2)cc1[N+](=O)[O-] ZINC001118706271 1022361241 /nfs/dbraw/zinc/36/12/41/1022361241.db2.gz KHDHHLYGGRWKPI-INIZCTEOSA-N 1 2 355.398 2.565 20 5 FFBDLO CCCSc1nc(OC2CCC3(C[NH2+]C3)CC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001218263009 1033074326 /nfs/dbraw/zinc/07/43/26/1033074326.db2.gz RCCYZDBERVOINH-UHFFFAOYSA-N 1 2 354.432 2.504 20 5 FFBDLO Cc1ccnc(C2CC[NH+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)n1 ZINC000755220608 1023579684 /nfs/dbraw/zinc/57/96/84/1023579684.db2.gz LPTNCJQGUCPBTC-UHFFFAOYSA-N 1 2 369.425 2.820 20 5 FFBDLO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](Cc2ccc(CC(C)C)cc2)C1 ZINC000950055552 1023694555 /nfs/dbraw/zinc/69/45/55/1023694555.db2.gz CFKQSGMSFHMMDM-RTBURBONSA-N 1 2 359.470 2.583 20 5 FFBDLO CC(C)CCO[C@@H]1CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000083629615 1025066357 /nfs/dbraw/zinc/06/63/57/1025066357.db2.gz ADCLFRCRCKLUQF-MRXNPFEDSA-N 1 2 359.430 2.948 20 5 FFBDLO CC(C)CCO[C@@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000083629615 1025066373 /nfs/dbraw/zinc/06/63/73/1025066373.db2.gz ADCLFRCRCKLUQF-MRXNPFEDSA-N 1 2 359.430 2.948 20 5 FFBDLO CC[C@@H]1C[N@H+](Cn2cc([N+](=O)[O-])c(C)n2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000779867960 1025180679 /nfs/dbraw/zinc/18/06/79/1025180679.db2.gz QFEOFKIGKMQURO-KGLIPLIRSA-N 1 2 367.450 2.682 20 5 FFBDLO CC[C@@H]1C[N@@H+](Cn2cc([N+](=O)[O-])c(C)n2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000779867960 1025180688 /nfs/dbraw/zinc/18/06/88/1025180688.db2.gz QFEOFKIGKMQURO-KGLIPLIRSA-N 1 2 367.450 2.682 20 5 FFBDLO CCC(CC)NC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000838102413 1026209682 /nfs/dbraw/zinc/20/96/82/1026209682.db2.gz QJDWSJDRSNHJBN-GFCCVEGCSA-N 1 2 374.397 2.631 20 5 FFBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CN1C(=O)[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000839966510 1026887693 /nfs/dbraw/zinc/88/76/93/1026887693.db2.gz DIYQGPRKFHWBMU-AZUAARDMSA-N 1 2 373.453 2.933 20 5 FFBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)CN1C(=O)[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000839966510 1026887698 /nfs/dbraw/zinc/88/76/98/1026887698.db2.gz DIYQGPRKFHWBMU-AZUAARDMSA-N 1 2 373.453 2.933 20 5 FFBDLO C[C@@H](Cc1cccc(F)c1)[N@H+](C)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000840166364 1026994149 /nfs/dbraw/zinc/99/41/49/1026994149.db2.gz JAOCCSJPLJXGRU-LBPRGKRZSA-N 1 2 371.368 2.850 20 5 FFBDLO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000840166364 1026994158 /nfs/dbraw/zinc/99/41/58/1026994158.db2.gz JAOCCSJPLJXGRU-LBPRGKRZSA-N 1 2 371.368 2.850 20 5 FFBDLO O=[N+]([O-])c1c[nH]c2ccc(N3CC[C@@H]([NH+]4CCCC4)C(F)(F)C3)nc21 ZINC001158624950 1027078586 /nfs/dbraw/zinc/07/85/86/1027078586.db2.gz YLFCGLFUBRBLNK-CYBMUJFWSA-N 1 2 351.357 2.781 20 5 FFBDLO O=[N+]([O-])c1ccc2nc(Cl)nc(NC3CN(c4cccc[nH+]4)C3)c2c1 ZINC001161319448 1028130662 /nfs/dbraw/zinc/13/06/62/1028130662.db2.gz RZYCRVJOYQOSLL-UHFFFAOYSA-N 1 2 356.773 2.887 20 5 FFBDLO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[N@@H+]3CCc4ccccc4[C@H]3C2)n1 ZINC001155088839 1028571963 /nfs/dbraw/zinc/57/19/63/1028571963.db2.gz ACVDPODQRCIMDF-CQSZACIVSA-N 1 2 359.817 2.766 20 5 FFBDLO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[N@H+]3CCc4ccccc4[C@H]3C2)n1 ZINC001155088839 1028571968 /nfs/dbraw/zinc/57/19/68/1028571968.db2.gz ACVDPODQRCIMDF-CQSZACIVSA-N 1 2 359.817 2.766 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000780764520 1028799982 /nfs/dbraw/zinc/79/99/82/1028799982.db2.gz MQLAMTSQIWJZRA-FUHWJXTLSA-N 1 2 372.450 2.977 20 5 FFBDLO Cc1c(C)c(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)ncc1[N+](=O)[O-] ZINC001163897561 1029108676 /nfs/dbraw/zinc/10/86/76/1029108676.db2.gz RBCMTYISJGZFEC-UHFFFAOYSA-N 1 2 370.409 2.658 20 5 FFBDLO Cc1cnc(N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)c([N+](=O)[O-])c1 ZINC001165690375 1030083553 /nfs/dbraw/zinc/08/35/53/1030083553.db2.gz HEGAZXGEIDUYPY-OAHLLOKOSA-N 1 2 357.414 2.558 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCOc2ccc(F)cc21 ZINC001534529242 1069658059 /nfs/dbraw/zinc/65/80/59/1069658059.db2.gz ISWDVCPLEXHWAF-UHFFFAOYSA-N 1 2 368.324 2.959 20 5 FFBDLO O=[N+]([O-])c1cnc(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(Cl)c1 ZINC001226255395 1034595312 /nfs/dbraw/zinc/59/53/12/1034595312.db2.gz KTNKUIBNOVVKHZ-OAHLLOKOSA-N 1 2 363.801 2.923 20 5 FFBDLO O=[N+]([O-])c1cnc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(Cl)c1 ZINC001226255395 1034595318 /nfs/dbraw/zinc/59/53/18/1034595318.db2.gz KTNKUIBNOVVKHZ-OAHLLOKOSA-N 1 2 363.801 2.923 20 5 FFBDLO Cc1cc([N+](=O)[O-])cnc1O[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001226761148 1034824268 /nfs/dbraw/zinc/82/42/68/1034824268.db2.gz GDJIBVTZNOWOCZ-MAUKXSAKSA-N 1 2 357.410 2.967 20 5 FFBDLO Cc1cc([N+](=O)[O-])cnc1O[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001226761148 1034824282 /nfs/dbraw/zinc/82/42/82/1034824282.db2.gz GDJIBVTZNOWOCZ-MAUKXSAKSA-N 1 2 357.410 2.967 20 5 FFBDLO Cc1cc2nc3nc(=O)[nH]c(O[C@@H]4CC[N@@H+](C(C)C)C4)c3nc2cc1C ZINC001228687156 1036255928 /nfs/dbraw/zinc/25/59/28/1036255928.db2.gz SKABQBKWYYYQHA-CYBMUJFWSA-N 1 2 353.426 2.757 20 5 FFBDLO Cc1cc2nc3nc(=O)[nH]c(O[C@@H]4CC[N@H+](C(C)C)C4)c3nc2cc1C ZINC001228687156 1036255946 /nfs/dbraw/zinc/25/59/46/1036255946.db2.gz SKABQBKWYYYQHA-CYBMUJFWSA-N 1 2 353.426 2.757 20 5 FFBDLO C[C@H](C[NH+]1CCOCC1)Oc1c2ccccc2c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001229425250 1036666823 /nfs/dbraw/zinc/66/68/23/1036666823.db2.gz WOWWURPGORTFGJ-GFCCVEGCSA-N 1 2 361.354 2.756 20 5 FFBDLO C[C@@H](C[NH+]1CCOCC1)Oc1ccc2c(c1)oc(=O)c1cc(O)ccc21 ZINC001229797852 1036903321 /nfs/dbraw/zinc/90/33/21/1036903321.db2.gz PRXBHROEEYYAID-ZDUSSCGKSA-N 1 2 355.390 2.751 20 5 FFBDLO Nc1ccc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC001209934328 1039294663 /nfs/dbraw/zinc/29/46/63/1039294663.db2.gz ACCOODPUECCOPS-UHFFFAOYSA-N 1 2 358.398 2.632 20 5 FFBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC001254553315 1040794883 /nfs/dbraw/zinc/79/48/83/1040794883.db2.gz UXVVJSXTCRXAOY-SNVBAGLBSA-N 1 2 355.320 2.652 20 5 FFBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC001254553315 1040794890 /nfs/dbraw/zinc/79/48/90/1040794890.db2.gz UXVVJSXTCRXAOY-SNVBAGLBSA-N 1 2 355.320 2.652 20 5 FFBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)Cc2ccccc2)CC1 ZINC001254567524 1040805420 /nfs/dbraw/zinc/80/54/20/1040805420.db2.gz WETKRMBPYGERGR-KRWDZBQOSA-N 1 2 367.449 2.913 20 5 FFBDLO COC(=O)[C@@](C)(Cc1ccc(O)cc1)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580783 1040814364 /nfs/dbraw/zinc/81/43/64/1040814364.db2.gz FUBNUVFKOKFULU-OXJNMPFZSA-N 1 2 370.405 2.532 20 5 FFBDLO Cc1cccc(C(=O)N2CC[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)c1 ZINC001254599123 1040830022 /nfs/dbraw/zinc/83/00/22/1040830022.db2.gz KYCIOACNZLFRIC-FQEVSTJZSA-N 1 2 365.433 2.828 20 5 FFBDLO Cc1cc(C[N@@H+]2CCCN(c3c4c(ccc3[N+](=O)[O-])NCC4)CC2)no1 ZINC001320796388 1045470054 /nfs/dbraw/zinc/47/00/54/1045470054.db2.gz JBFVOVOQGYDFRL-UHFFFAOYSA-N 1 2 357.414 2.572 20 5 FFBDLO Cc1cc(C[N@H+]2CCCN(c3c4c(ccc3[N+](=O)[O-])NCC4)CC2)no1 ZINC001320796388 1045470057 /nfs/dbraw/zinc/47/00/57/1045470057.db2.gz JBFVOVOQGYDFRL-UHFFFAOYSA-N 1 2 357.414 2.572 20 5 FFBDLO COCCO[C@H](C)c1nnc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)o1 ZINC001323039880 1046318116 /nfs/dbraw/zinc/31/81/16/1046318116.db2.gz TUOQMVLGTIKLHI-LLVKDONJSA-N 1 2 359.342 2.555 20 5 FFBDLO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001327495348 1047922807 /nfs/dbraw/zinc/92/28/07/1047922807.db2.gz HWFHXSJPYKJVCV-GOSISDBHSA-N 1 2 354.410 2.661 20 5 FFBDLO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001327495348 1047922812 /nfs/dbraw/zinc/92/28/12/1047922812.db2.gz HWFHXSJPYKJVCV-GOSISDBHSA-N 1 2 354.410 2.661 20 5 FFBDLO O=C(Cc1cccc(F)c1[N+](=O)[O-])NCc1cccc(Cn2cc[nH+]c2)c1 ZINC001540701582 1070972221 /nfs/dbraw/zinc/97/22/21/1070972221.db2.gz MGSFOJIXMFOLLQ-UHFFFAOYSA-N 1 2 368.368 2.838 20 5 FFBDLO O=C(CC[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1)N1CCOc2ccccc21 ZINC001340921501 1051249792 /nfs/dbraw/zinc/24/97/92/1051249792.db2.gz LZXYRGMCUFMUCX-UHFFFAOYSA-N 1 2 353.378 2.726 20 5 FFBDLO O=C(CC[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1)N1CCOc2ccccc21 ZINC001340921501 1051249802 /nfs/dbraw/zinc/24/98/02/1051249802.db2.gz LZXYRGMCUFMUCX-UHFFFAOYSA-N 1 2 353.378 2.726 20 5 FFBDLO COC(=O)c1cccc2c1OCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC001308127234 1052412459 /nfs/dbraw/zinc/41/24/59/1052412459.db2.gz VCAZBRUXBFVWOY-UHFFFAOYSA-N 1 2 372.377 2.655 20 5 FFBDLO COC(=O)c1cccc2c1OCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC001308127234 1052412464 /nfs/dbraw/zinc/41/24/64/1052412464.db2.gz VCAZBRUXBFVWOY-UHFFFAOYSA-N 1 2 372.377 2.655 20 5 FFBDLO COc1cccc([C@H]2CN(C(=O)c3cc(C)ccc3[N+](=O)[O-])CC[NH2+]2)c1 ZINC001337379101 1054703595 /nfs/dbraw/zinc/70/35/95/1054703595.db2.gz SOYVOHKHHULFAN-QGZVFWFLSA-N 1 2 355.394 2.699 20 5 FFBDLO Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccnc2)cc1[N+](=O)[O-] ZINC001348970789 1055025489 /nfs/dbraw/zinc/02/54/89/1055025489.db2.gz PHWIRRFCWRAJSQ-SFHVURJKSA-N 1 2 368.437 2.969 20 5 FFBDLO Cc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)cc1[N+](=O)[O-] ZINC001348970789 1055025503 /nfs/dbraw/zinc/02/55/03/1055025503.db2.gz PHWIRRFCWRAJSQ-SFHVURJKSA-N 1 2 368.437 2.969 20 5 FFBDLO COC(=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)cc1 ZINC001351913440 1055061975 /nfs/dbraw/zinc/06/19/75/1055061975.db2.gz CZJOVRWQHIOOME-UHFFFAOYSA-N 1 2 367.317 2.786 20 5 FFBDLO C[C@H](CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)Cn1cc[nH+]c1 ZINC001544229776 1071615727 /nfs/dbraw/zinc/61/57/27/1071615727.db2.gz FKLNESKVMHBXFL-GFCCVEGCSA-N 1 2 353.382 2.593 20 5 FFBDLO Cn1c[nH+]cc1C1CCN(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)CC1 ZINC001339375072 1056388309 /nfs/dbraw/zinc/38/83/09/1056388309.db2.gz MSCDQIGYWWWTNU-UHFFFAOYSA-N 1 2 350.325 2.626 20 5 FFBDLO COc1cccc(COC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC001515845600 1059838459 /nfs/dbraw/zinc/83/84/59/1059838459.db2.gz GIJJZKSVKMKWCI-UHFFFAOYSA-N 1 2 354.322 2.541 20 5 FFBDLO Cc1cnc(CC[N@@H+](C)CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)s1 ZINC000848482298 1060116987 /nfs/dbraw/zinc/11/69/87/1060116987.db2.gz LDSBCLPCPIFVTQ-INIZCTEOSA-N 1 2 374.466 2.808 20 5 FFBDLO Cc1cnc(CC[N@H+](C)CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)s1 ZINC000848482298 1060116995 /nfs/dbraw/zinc/11/69/95/1060116995.db2.gz LDSBCLPCPIFVTQ-INIZCTEOSA-N 1 2 374.466 2.808 20 5 FFBDLO CC1(C)C[N@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)[C@@H]1[C@H]1CCCO1 ZINC000848491679 1060150433 /nfs/dbraw/zinc/15/04/33/1060150433.db2.gz XXCSXGGCJYSGEZ-KZNAEPCWSA-N 1 2 373.453 2.758 20 5 FFBDLO CC1(C)C[N@@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)[C@@H]1[C@H]1CCCO1 ZINC000848491679 1060150440 /nfs/dbraw/zinc/15/04/40/1060150440.db2.gz XXCSXGGCJYSGEZ-KZNAEPCWSA-N 1 2 373.453 2.758 20 5 FFBDLO CCNc1cc(CNc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])cc[nH+]1 ZINC001458524353 1060613040 /nfs/dbraw/zinc/61/30/40/1060613040.db2.gz ABTVDPMBIXHTDA-UHFFFAOYSA-N 1 2 368.353 2.912 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@]12CCCOC2 ZINC001460975033 1061173165 /nfs/dbraw/zinc/17/31/65/1061173165.db2.gz NHYGXMXWAIQWLD-GOSISDBHSA-N 1 2 363.414 2.577 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@]12CCCOC2 ZINC001460975033 1061173170 /nfs/dbraw/zinc/17/31/70/1061173170.db2.gz NHYGXMXWAIQWLD-GOSISDBHSA-N 1 2 363.414 2.577 20 5 FFBDLO Cc1cccc(C[NH+]2CCN(C(=O)c3cc([N+](=O)[O-])cc(C)n3)CC2)c1 ZINC001528367068 1061879822 /nfs/dbraw/zinc/87/98/22/1061879822.db2.gz QFJLQUDJYSIOKO-UHFFFAOYSA-N 1 2 354.410 2.565 20 5 FFBDLO O=C(Cc1c[nH]c[nH+]1)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001463744345 1062238235 /nfs/dbraw/zinc/23/82/35/1062238235.db2.gz VSRCMGCWNOPPMI-UHFFFAOYSA-N 1 2 366.333 2.718 20 5 FFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001533480903 1063307200 /nfs/dbraw/zinc/30/72/00/1063307200.db2.gz JAZYOTXQHDKRGE-QGZVFWFLSA-N 1 2 351.366 2.666 20 5 FFBDLO Cc1[nH]c([C@@H]2CCCN2C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[nH+]c1C ZINC001471859256 1064823419 /nfs/dbraw/zinc/82/34/19/1064823419.db2.gz KTJHWSVKWHEUNF-HNNXBMFYSA-N 1 2 362.361 2.816 20 5 FFBDLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001473289582 1065234283 /nfs/dbraw/zinc/23/42/83/1065234283.db2.gz LZGHKIWOMDEEBA-AWEZNQCLSA-N 1 2 368.397 2.888 20 5 FFBDLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001473289582 1065234293 /nfs/dbraw/zinc/23/42/93/1065234293.db2.gz LZGHKIWOMDEEBA-AWEZNQCLSA-N 1 2 368.397 2.888 20 5 FFBDLO Cc1c(C[NH2+][C@@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)cccc1[N+](=O)[O-] ZINC001474095181 1065455751 /nfs/dbraw/zinc/45/57/51/1065455751.db2.gz JJQXDAOPAKXHKW-ZDUSSCGKSA-N 1 2 371.401 2.948 20 5 FFBDLO CCOc1cccnc1N1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC001560144937 1076235144 /nfs/dbraw/zinc/23/51/44/1076235144.db2.gz UPGUBUJBALBDAJ-UHFFFAOYSA-N 1 2 372.425 2.590 20 5 FFBDLO Cc1cc(C)c(CNS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)c[nH+]1 ZINC001561651532 1076402982 /nfs/dbraw/zinc/40/29/82/1076402982.db2.gz OLHOKHWIUAQHFG-UHFFFAOYSA-N 1 2 353.375 2.533 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2CC(C)C)c1C ZINC001561957757 1076453801 /nfs/dbraw/zinc/45/38/01/1076453801.db2.gz NLIWALVUFGFQGN-MRXNPFEDSA-N 1 2 369.487 2.562 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[N@H+](C)C[C@H]2CC(C)C)c1C ZINC001561957757 1076453804 /nfs/dbraw/zinc/45/38/04/1076453804.db2.gz NLIWALVUFGFQGN-MRXNPFEDSA-N 1 2 369.487 2.562 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC001562152544 1076478655 /nfs/dbraw/zinc/47/86/55/1076478655.db2.gz LXWZWTDZZWSBMO-INIZCTEOSA-N 1 2 356.382 2.912 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC001562152544 1076478659 /nfs/dbraw/zinc/47/86/59/1076478659.db2.gz LXWZWTDZZWSBMO-INIZCTEOSA-N 1 2 356.382 2.912 20 5 FFBDLO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(Cl)cc1Cl ZINC001567333023 1077016309 /nfs/dbraw/zinc/01/63/09/1077016309.db2.gz HTVXZDGKYWILTB-TZMCWYRMSA-N 1 2 360.241 2.597 20 5 FFBDLO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(Cl)cc1Cl ZINC001567333023 1077016314 /nfs/dbraw/zinc/01/63/14/1077016314.db2.gz HTVXZDGKYWILTB-TZMCWYRMSA-N 1 2 360.241 2.597 20 5 FFBDLO Cc1ccc([C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000023973554 249334943 /nfs/dbraw/zinc/33/49/43/249334943.db2.gz ZNZPJHJSRZZSHF-LJQANCHMSA-N 1 2 369.421 2.707 20 5 FFBDLO CC[C@](C)([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1nccs1 ZINC000173514445 251197200 /nfs/dbraw/zinc/19/72/00/251197200.db2.gz MKSKREHGTALEBY-INIZCTEOSA-N 1 2 364.427 2.913 20 5 FFBDLO Cc1ccc([C@@H](O)C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000272511814 252057240 /nfs/dbraw/zinc/05/72/40/252057240.db2.gz JFALBKYXQQSPDB-DOTOQJQBSA-N 1 2 356.382 2.642 20 5 FFBDLO Cc1cc(NC(=O)Cn2ccc([N+](=O)[O-])n2)c[nH+]c1N1CCCC[C@@H]1C ZINC000272729419 252115484 /nfs/dbraw/zinc/11/54/84/252115484.db2.gz UZNIAKPQOSOYQF-ZDUSSCGKSA-N 1 2 358.402 2.512 20 5 FFBDLO Cc1nc(N2CCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)cc[nH+]1 ZINC000273511446 252321375 /nfs/dbraw/zinc/32/13/75/252321375.db2.gz QEIJWPQOXLGESC-UHFFFAOYSA-N 1 2 350.382 2.568 20 5 FFBDLO Cc1nc(N2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000273524209 252323662 /nfs/dbraw/zinc/32/36/62/252323662.db2.gz SRWTXEAGKMKXKC-UHFFFAOYSA-N 1 2 350.382 2.568 20 5 FFBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000275899247 256057600 /nfs/dbraw/zinc/05/76/00/256057600.db2.gz TXZIBHXQWLMTSM-ZDUSSCGKSA-N 1 2 360.801 2.960 20 5 FFBDLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000276543584 256108920 /nfs/dbraw/zinc/10/89/20/256108920.db2.gz YCGKRSBWLWJDCJ-CMPLNLGQSA-N 1 2 371.231 2.988 20 5 FFBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000276543584 256108922 /nfs/dbraw/zinc/10/89/22/256108922.db2.gz YCGKRSBWLWJDCJ-CMPLNLGQSA-N 1 2 371.231 2.988 20 5 FFBDLO CCc1cc(N2CC[S@](=O)C[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000277564756 256211759 /nfs/dbraw/zinc/21/17/59/256211759.db2.gz ARUZJMCWZJOGRS-SRGMZFCMSA-N 1 2 374.466 2.819 20 5 FFBDLO Cn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)n1 ZINC000277746326 256234204 /nfs/dbraw/zinc/23/42/04/256234204.db2.gz QOPPFELOZFZHHR-UHFFFAOYSA-N 1 2 366.381 2.780 20 5 FFBDLO CC(C)c1[nH+]c2ccccc2n1Cc1noc(Cn2ccc([N+](=O)[O-])n2)n1 ZINC000277883726 256251314 /nfs/dbraw/zinc/25/13/14/256251314.db2.gz JRPHRJMTYLSKIZ-UHFFFAOYSA-N 1 2 367.369 2.744 20 5 FFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000278409458 256309247 /nfs/dbraw/zinc/30/92/47/256309247.db2.gz PSURYEGWTYPLQQ-ZWNOBZJWSA-N 1 2 363.292 2.638 20 5 FFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000278409458 256309249 /nfs/dbraw/zinc/30/92/49/256309249.db2.gz PSURYEGWTYPLQQ-ZWNOBZJWSA-N 1 2 363.292 2.638 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000280625252 256542879 /nfs/dbraw/zinc/54/28/79/256542879.db2.gz WYBZSGXKNINCDL-RDTXWAMCSA-N 1 2 350.415 2.762 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000280625252 256542880 /nfs/dbraw/zinc/54/28/80/256542880.db2.gz WYBZSGXKNINCDL-RDTXWAMCSA-N 1 2 350.415 2.762 20 5 FFBDLO Cc1cc(OCC(=O)NCCCCNc2cccc[nH+]2)ccc1[N+](=O)[O-] ZINC000280822333 256571903 /nfs/dbraw/zinc/57/19/03/256571903.db2.gz OBPYRXQORZAXEA-UHFFFAOYSA-N 1 2 358.398 2.686 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282753241 256785043 /nfs/dbraw/zinc/78/50/43/256785043.db2.gz JYDYCRZQVPKCDL-ZDUSSCGKSA-N 1 2 370.409 2.853 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCCc2occc2C1 ZINC000288831882 257231154 /nfs/dbraw/zinc/23/11/54/257231154.db2.gz NXXHSJLULCLDTK-GFCCVEGCSA-N 1 2 359.382 2.972 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCCc2occc2C1 ZINC000288831882 257231155 /nfs/dbraw/zinc/23/11/55/257231155.db2.gz NXXHSJLULCLDTK-GFCCVEGCSA-N 1 2 359.382 2.972 20 5 FFBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000290471231 257333387 /nfs/dbraw/zinc/33/33/87/257333387.db2.gz QMSVOLDETVDBDK-IAQYHMDHSA-N 1 2 368.821 2.575 20 5 FFBDLO Cc1cc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc(N2CCCC2)[nH+]1 ZINC000290608088 257346012 /nfs/dbraw/zinc/34/60/12/257346012.db2.gz SGFWAFWSHTVLMF-UHFFFAOYSA-N 1 2 356.382 2.534 20 5 FFBDLO O=C1C[N@H+](Cc2cccc(NCc3cc([N+](=O)[O-])ccc3Cl)c2)CCN1 ZINC000291076079 257379946 /nfs/dbraw/zinc/37/99/46/257379946.db2.gz MQJADNLLZIEFBU-UHFFFAOYSA-N 1 2 374.828 2.792 20 5 FFBDLO O=C1C[N@@H+](Cc2cccc(NCc3cc([N+](=O)[O-])ccc3Cl)c2)CCN1 ZINC000291076079 257379947 /nfs/dbraw/zinc/37/99/47/257379947.db2.gz MQJADNLLZIEFBU-UHFFFAOYSA-N 1 2 374.828 2.792 20 5 FFBDLO Cc1cc(N2CCc3nc(N)sc3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301100128 258025537 /nfs/dbraw/zinc/02/55/37/258025537.db2.gz 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CNC(=O)c1ccc(NCc2ccccc2Cn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000064905448 506240122 /nfs/dbraw/zinc/24/01/22/506240122.db2.gz PPSMDJQBBKEBFU-UHFFFAOYSA-N 1 2 365.393 2.811 20 5 FFBDLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)on1 ZINC000052822025 506254869 /nfs/dbraw/zinc/25/48/69/506254869.db2.gz CHVBYPCFKSORCM-OAHLLOKOSA-N 1 2 356.382 2.617 20 5 FFBDLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)on1 ZINC000052822025 506254880 /nfs/dbraw/zinc/25/48/80/506254880.db2.gz CHVBYPCFKSORCM-OAHLLOKOSA-N 1 2 356.382 2.617 20 5 FFBDLO COc1cc(C[N@@H+]2CCOC3(CCOCC3)CC2)c([N+](=O)[O-])cc1F ZINC000377278639 512198307 /nfs/dbraw/zinc/19/83/07/512198307.db2.gz QTWZAFSHOBVCSK-UHFFFAOYSA-N 1 2 354.378 2.514 20 5 FFBDLO COc1cc(C[N@H+]2CCOC3(CCOCC3)CC2)c([N+](=O)[O-])cc1F ZINC000377278639 512198312 /nfs/dbraw/zinc/19/83/12/512198312.db2.gz QTWZAFSHOBVCSK-UHFFFAOYSA-N 1 2 354.378 2.514 20 5 FFBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000054167625 506505170 /nfs/dbraw/zinc/50/51/70/506505170.db2.gz WFMIYZBPNOSTHQ-UHFFFAOYSA-N 1 2 350.378 2.812 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000008118282 506624184 /nfs/dbraw/zinc/62/41/84/506624184.db2.gz BSRVGYGEDSTOKN-CYBMUJFWSA-N 1 2 355.394 2.989 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000008118282 506624189 /nfs/dbraw/zinc/62/41/89/506624189.db2.gz BSRVGYGEDSTOKN-CYBMUJFWSA-N 1 2 355.394 2.989 20 5 FFBDLO CC[NH+](CC)[C@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000067275223 506812952 /nfs/dbraw/zinc/81/29/52/506812952.db2.gz XUWUHWSXFUTYOI-OAHLLOKOSA-N 1 2 371.397 2.877 20 5 FFBDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000067523782 506909675 /nfs/dbraw/zinc/90/96/75/506909675.db2.gz WCSRBUJAVXTCJI-UHFFFAOYSA-N 1 2 358.304 2.989 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)c1 ZINC000067542133 506918374 /nfs/dbraw/zinc/91/83/74/506918374.db2.gz 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Cc1ccn2cc(CNC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)[nH+]c2c1 ZINC000068218253 507152119 /nfs/dbraw/zinc/15/21/19/507152119.db2.gz UIIXDUPHOWDPRD-UHFFFAOYSA-N 1 2 363.377 2.822 20 5 FFBDLO Cc1cccc(N2CC[NH+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)c1C ZINC000046552164 507152916 /nfs/dbraw/zinc/15/29/16/507152916.db2.gz YELLEIDFHTVPKK-UHFFFAOYSA-N 1 2 368.437 2.633 20 5 FFBDLO O=C(NCCCCNc1cccc[nH+]1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000068422563 507225778 /nfs/dbraw/zinc/22/57/78/507225778.db2.gz SOGUMCONBKHQCR-UHFFFAOYSA-N 1 2 359.342 2.520 20 5 FFBDLO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000022463933 507293901 /nfs/dbraw/zinc/29/39/01/507293901.db2.gz PPGTYPJFULGHTM-QGZVFWFLSA-N 1 2 355.394 2.867 20 5 FFBDLO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744398 507387120 /nfs/dbraw/zinc/38/71/20/507387120.db2.gz QPBPFQDJXRVVOY-IXDOHACOSA-N 1 2 374.485 2.895 20 5 FFBDLO C[C@H](C(=O)N(C)c1ccccc1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744557 507388214 /nfs/dbraw/zinc/38/82/14/507388214.db2.gz CLIOHIOIBIJMFQ-MRXNPFEDSA-N 1 2 368.437 2.768 20 5 FFBDLO C[C@@H](C(=O)NCC1CCCCC1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047745160 507388288 /nfs/dbraw/zinc/38/82/88/507388288.db2.gz VWXAAPVPHSLJBC-INIZCTEOSA-N 1 2 374.485 2.802 20 5 FFBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000058296430 507401640 /nfs/dbraw/zinc/40/16/40/507401640.db2.gz JMIDBSXRUUHNBR-OAHLLOKOSA-N 1 2 371.441 2.846 20 5 FFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375465708 512343905 /nfs/dbraw/zinc/34/39/05/512343905.db2.gz PRPPDXJUTHNCHU-AAEUAGOBSA-N 1 2 371.397 2.672 20 5 FFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375465708 512343908 /nfs/dbraw/zinc/34/39/08/512343908.db2.gz PRPPDXJUTHNCHU-AAEUAGOBSA-N 1 2 371.397 2.672 20 5 FFBDLO O=C(NCc1cccc([N+](=O)[O-])c1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000063069464 507691219 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XJZNPVWIGDNSKO-IAGOWNOFSA-N 1 2 374.485 2.896 20 5 FFBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1Cc1[nH+]ccn1Cc1ccccc1 ZINC000078386226 507867428 /nfs/dbraw/zinc/86/74/28/507867428.db2.gz JYLFCATVZBHAPY-UHFFFAOYSA-N 1 2 362.345 2.636 20 5 FFBDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000108623191 507909384 /nfs/dbraw/zinc/90/93/84/507909384.db2.gz KJIWGRJQUDVINT-UHFFFAOYSA-N 1 2 371.372 2.794 20 5 FFBDLO Cc1ccccc1[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)CO1 ZINC000090550790 507926957 /nfs/dbraw/zinc/92/69/57/507926957.db2.gz DCPFRJJICGVOQC-CRAIPNDOSA-N 1 2 357.410 2.527 20 5 FFBDLO Cc1ccccc1[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)CO1 ZINC000090550790 507926959 /nfs/dbraw/zinc/92/69/59/507926959.db2.gz DCPFRJJICGVOQC-CRAIPNDOSA-N 1 2 357.410 2.527 20 5 FFBDLO Cc1ccc(NC(=O)NCc2cccnc2-n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000079217035 507944442 /nfs/dbraw/zinc/94/44/42/507944442.db2.gz GFWGWASZVVFGEG-UHFFFAOYSA-N 1 2 352.354 2.806 20 5 FFBDLO COCc1cc([N+](=O)[O-])ccc1N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000091429786 507985102 /nfs/dbraw/zinc/98/51/02/507985102.db2.gz OIZPWGCPLFFHNC-UHFFFAOYSA-N 1 2 360.414 2.668 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000109781256 507986656 /nfs/dbraw/zinc/98/66/56/507986656.db2.gz ACAJFYVLUWWOGX-LBPRGKRZSA-N 1 2 359.382 2.941 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000109781256 507986660 /nfs/dbraw/zinc/98/66/60/507986660.db2.gz ACAJFYVLUWWOGX-LBPRGKRZSA-N 1 2 359.382 2.941 20 5 FFBDLO CCC[C@](C)([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(=O)OC ZINC000109802647 507988102 /nfs/dbraw/zinc/98/81/02/507988102.db2.gz NUCCFZNNMBOEGE-KRWDZBQOSA-N 1 2 351.403 2.553 20 5 FFBDLO CN1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c2ccccc21 ZINC000110477853 508029907 /nfs/dbraw/zinc/02/99/07/508029907.db2.gz KTNWJHLSXCWAFU-UHFFFAOYSA-N 1 2 363.377 2.877 20 5 FFBDLO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000110959753 508060845 /nfs/dbraw/zinc/06/08/45/508060845.db2.gz LOSRSBQNKFIVMT-AWEZNQCLSA-N 1 2 367.833 2.575 20 5 FFBDLO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075551267 508115868 /nfs/dbraw/zinc/11/58/68/508115868.db2.gz VUIWBBJWGOMDEV-ZDUSSCGKSA-N 1 2 366.381 2.523 20 5 FFBDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000093082311 508120439 /nfs/dbraw/zinc/12/04/39/508120439.db2.gz MOERCWCYNUUGMV-HNNXBMFYSA-N 1 2 362.407 2.697 20 5 FFBDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000093082311 508120442 /nfs/dbraw/zinc/12/04/42/508120442.db2.gz MOERCWCYNUUGMV-HNNXBMFYSA-N 1 2 362.407 2.697 20 5 FFBDLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1O ZINC000080975582 508121179 /nfs/dbraw/zinc/12/11/79/508121179.db2.gz OEICGBNYZIGWGH-LBPRGKRZSA-N 1 2 359.382 2.768 20 5 FFBDLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1O ZINC000080975582 508121181 /nfs/dbraw/zinc/12/11/81/508121181.db2.gz OEICGBNYZIGWGH-LBPRGKRZSA-N 1 2 359.382 2.768 20 5 FFBDLO O=C(CC1CCCC1)NC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000093321228 508138952 /nfs/dbraw/zinc/13/89/52/508138952.db2.gz AYUFUDZFYDBQEC-UHFFFAOYSA-N 1 2 361.442 2.961 20 5 FFBDLO Cn1cc[nH+]c1C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000081315830 508161477 /nfs/dbraw/zinc/16/14/77/508161477.db2.gz GPPIIKKUZSEXAP-SFHVURJKSA-N 1 2 364.405 2.971 20 5 FFBDLO COC(=O)c1cc([N+](=O)[O-])c(N2CCn3cc(C)[nH+]c3C2)cc1Cl ZINC000371710398 512538859 /nfs/dbraw/zinc/53/88/59/512538859.db2.gz YVIBGCLBJPHOSF-UHFFFAOYSA-N 1 2 350.762 2.560 20 5 FFBDLO C[C@H](Nc1ccc(C(=O)NCc2[nH]cc[nH+]2)cc1[N+](=O)[O-])c1ccccn1 ZINC000114125250 508294684 /nfs/dbraw/zinc/29/46/84/508294684.db2.gz FQFZCRLFMWDZRK-LBPRGKRZSA-N 1 2 366.381 2.816 20 5 FFBDLO O=C(NCCn1cc[nH+]c1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000115074258 508368504 /nfs/dbraw/zinc/36/85/04/508368504.db2.gz RAKCTMVWDAXLME-UHFFFAOYSA-N 1 2 365.393 2.833 20 5 FFBDLO C[C@@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607010 508379097 /nfs/dbraw/zinc/37/90/97/508379097.db2.gz PRZZEDXRZOPBLU-ZDUSSCGKSA-N 1 2 357.385 2.797 20 5 FFBDLO C[C@@H](C(=O)NCc1ccc(F)cc1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607010 508379098 /nfs/dbraw/zinc/37/90/98/508379098.db2.gz PRZZEDXRZOPBLU-ZDUSSCGKSA-N 1 2 357.385 2.797 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000088777172 508383650 /nfs/dbraw/zinc/38/36/50/508383650.db2.gz FELGESXLPYSWGT-ZDUSSCGKSA-N 1 2 364.427 2.503 20 5 FFBDLO C[C@@H]1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000134048394 508486005 /nfs/dbraw/zinc/48/60/05/508486005.db2.gz FROBUUFBGDFFNG-ACJLOTCBSA-N 1 2 369.425 2.771 20 5 FFBDLO CN(Cc1ccc(F)cc1)C(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153093142 508547093 /nfs/dbraw/zinc/54/70/93/508547093.db2.gz WLMYIBVHLYRMQK-UHFFFAOYSA-N 1 2 357.385 2.751 20 5 FFBDLO CN(Cc1ccc(F)cc1)C(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153093142 508547096 /nfs/dbraw/zinc/54/70/96/508547096.db2.gz WLMYIBVHLYRMQK-UHFFFAOYSA-N 1 2 357.385 2.751 20 5 FFBDLO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000157565263 508582111 /nfs/dbraw/zinc/58/21/11/508582111.db2.gz FSVKPGCLXJHCEZ-CQSZACIVSA-N 1 2 366.464 2.942 20 5 FFBDLO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000157565263 508582112 /nfs/dbraw/zinc/58/21/12/508582112.db2.gz FSVKPGCLXJHCEZ-CQSZACIVSA-N 1 2 366.464 2.942 20 5 FFBDLO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000135555806 508623097 /nfs/dbraw/zinc/62/30/97/508623097.db2.gz VDECULOINDNXNP-OAHLLOKOSA-N 1 2 368.397 2.888 20 5 FFBDLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000135555806 508623100 /nfs/dbraw/zinc/62/31/00/508623100.db2.gz VDECULOINDNXNP-OAHLLOKOSA-N 1 2 368.397 2.888 20 5 FFBDLO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000123276383 508661626 /nfs/dbraw/zinc/66/16/26/508661626.db2.gz CQZAWFOUGOPOIW-BDJLRTHQSA-N 1 2 373.369 2.731 20 5 FFBDLO CCc1cccc(NC(=O)C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000118866123 508687938 /nfs/dbraw/zinc/68/79/38/508687938.db2.gz YQFIVJXCZIVJMF-INIZCTEOSA-N 1 2 369.425 2.677 20 5 FFBDLO CCc1cccc(NC(=O)C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000118866123 508687941 /nfs/dbraw/zinc/68/79/41/508687941.db2.gz YQFIVJXCZIVJMF-INIZCTEOSA-N 1 2 369.425 2.677 20 5 FFBDLO C[C@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000123449197 508689077 /nfs/dbraw/zinc/68/90/77/508689077.db2.gz OJPXNKWGFODKPE-WMLDXEAASA-N 1 2 357.414 2.703 20 5 FFBDLO O=C(C[C@@H]1COCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000119332183 508775101 /nfs/dbraw/zinc/77/51/01/508775101.db2.gz AUKXWPATFFDXOW-GOSISDBHSA-N 1 2 370.405 2.947 20 5 FFBDLO O=C(C[C@@H]1COCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000119332183 508775104 /nfs/dbraw/zinc/77/51/04/508775104.db2.gz AUKXWPATFFDXOW-GOSISDBHSA-N 1 2 370.405 2.947 20 5 FFBDLO O=C(Nc1nnc(C(F)F)s1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000144505299 508839231 /nfs/dbraw/zinc/83/92/31/508839231.db2.gz QSXKDKZNOZWART-UHFFFAOYSA-N 1 2 366.309 2.822 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000367288988 512426308 /nfs/dbraw/zinc/42/63/08/512426308.db2.gz YOOLBNODTXIJGA-UHFFFAOYSA-N 1 2 351.366 2.886 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000367288988 512426310 /nfs/dbraw/zinc/42/63/10/512426310.db2.gz YOOLBNODTXIJGA-UHFFFAOYSA-N 1 2 351.366 2.886 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000367288744 512426893 /nfs/dbraw/zinc/42/68/93/512426893.db2.gz XHKZKKNZIPUQNG-GFCCVEGCSA-N 1 2 351.366 2.506 20 5 FFBDLO CN(Cc1ccc(F)cc1)C(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131498706 508941185 /nfs/dbraw/zinc/94/11/85/508941185.db2.gz XYFSOUMIBLJTJY-UHFFFAOYSA-N 1 2 357.385 2.751 20 5 FFBDLO CN(Cc1ccc(F)cc1)C(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131498706 508941191 /nfs/dbraw/zinc/94/11/91/508941191.db2.gz XYFSOUMIBLJTJY-UHFFFAOYSA-N 1 2 357.385 2.751 20 5 FFBDLO CCc1ccc(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)cc1[N+](=O)[O-] ZINC000155599529 509035188 /nfs/dbraw/zinc/03/51/88/509035188.db2.gz GRWBBSKPIWULBY-UHFFFAOYSA-N 1 2 370.409 2.950 20 5 FFBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000126081417 509061134 /nfs/dbraw/zinc/06/11/34/509061134.db2.gz HXEHHUNMIODGSD-UHFFFAOYSA-N 1 2 369.421 2.917 20 5 FFBDLO COc1cc(CN2CCN(c3cc(C)cc[nH+]3)CC2)c([N+](=O)[O-])cc1OC ZINC000120903474 509086351 /nfs/dbraw/zinc/08/63/51/509086351.db2.gz BPELGPLQNOFMQV-UHFFFAOYSA-N 1 2 372.425 2.638 20 5 FFBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161449210 509116687 /nfs/dbraw/zinc/11/66/87/509116687.db2.gz IXHSDOPLKWKGJD-KBPBESRZSA-N 1 2 372.450 2.866 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000156147212 509134766 /nfs/dbraw/zinc/13/47/66/509134766.db2.gz OJVYKBMZBVWIIQ-ZDUSSCGKSA-N 1 2 373.413 2.824 20 5 FFBDLO CCNC(=O)N1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000121573140 509178809 /nfs/dbraw/zinc/17/88/09/509178809.db2.gz DBGNACLBHARQEZ-UHFFFAOYSA-N 1 2 358.398 2.702 20 5 FFBDLO C[N@@H+]1CC[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@H]1c1ccccc1 ZINC000248029578 509219894 /nfs/dbraw/zinc/21/98/94/509219894.db2.gz KAUABHDMDALFDP-SJLPKXTDSA-N 1 2 365.393 2.646 20 5 FFBDLO C[N@H+]1CC[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@H]1c1ccccc1 ZINC000248029578 509219896 /nfs/dbraw/zinc/21/98/96/509219896.db2.gz KAUABHDMDALFDP-SJLPKXTDSA-N 1 2 365.393 2.646 20 5 FFBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](CCOCC(F)(F)C(F)F)CC1 ZINC000188707191 509224225 /nfs/dbraw/zinc/22/42/25/509224225.db2.gz KTQAKBOCJIOOHN-UHFFFAOYSA-N 1 2 365.327 2.634 20 5 FFBDLO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)Cn1cc[nH+]c1 ZINC000176382037 509478985 /nfs/dbraw/zinc/47/89/85/509478985.db2.gz IURGMMNUFXFPIP-JTQLQIEISA-N 1 2 367.203 2.620 20 5 FFBDLO C[C@@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)Cn1cc[nH+]c1 ZINC000176385866 509481352 /nfs/dbraw/zinc/48/13/52/509481352.db2.gz RHRAIZIPCHLGMK-LBPRGKRZSA-N 1 2 371.422 2.981 20 5 FFBDLO O=C(C1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1)C(F)(F)F ZINC000186024186 509485679 /nfs/dbraw/zinc/48/56/79/509485679.db2.gz NBJKAWCCCQTUCL-UHFFFAOYSA-N 1 2 374.315 2.805 20 5 FFBDLO O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000182941620 509508700 /nfs/dbraw/zinc/50/87/00/509508700.db2.gz LFDUPHPRMWAASB-HZPDHXFCSA-N 1 2 369.381 2.565 20 5 FFBDLO CCN1CC[NH+]([C@@H]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)CC1 ZINC000264440533 509529524 /nfs/dbraw/zinc/52/95/24/509529524.db2.gz WSQVTFLLCSOQOP-CQSZACIVSA-N 1 2 372.391 2.830 20 5 FFBDLO Cc1ccc(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c(C)[nH+]1 ZINC000176769269 509680844 /nfs/dbraw/zinc/68/08/44/509680844.db2.gz LRHNMSFKYKYARJ-UHFFFAOYSA-N 1 2 355.398 2.961 20 5 FFBDLO Cc1cc(S(=O)(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000176843593 509720937 /nfs/dbraw/zinc/72/09/37/509720937.db2.gz LQZHHWWULJHVNW-AWEZNQCLSA-N 1 2 350.400 2.542 20 5 FFBDLO C[C@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](C(N)=O)C1 ZINC000250135562 509789671 /nfs/dbraw/zinc/78/96/71/509789671.db2.gz XZQOSZXVUFRBAQ-XHDPSFHLSA-N 1 2 360.439 2.804 20 5 FFBDLO C[C@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](C(N)=O)C1 ZINC000250135562 509789680 /nfs/dbraw/zinc/78/96/80/509789680.db2.gz XZQOSZXVUFRBAQ-XHDPSFHLSA-N 1 2 360.439 2.804 20 5 FFBDLO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000180190244 509801812 /nfs/dbraw/zinc/80/18/12/509801812.db2.gz NGPJAIBBRJIOKI-UHFFFAOYSA-N 1 2 357.410 2.941 20 5 FFBDLO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000180190244 509801818 /nfs/dbraw/zinc/80/18/18/509801818.db2.gz NGPJAIBBRJIOKI-UHFFFAOYSA-N 1 2 357.410 2.941 20 5 FFBDLO CCC(=O)N[C@H]1CCC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000251222968 509807691 /nfs/dbraw/zinc/80/76/91/509807691.db2.gz NJWHGPMGJAEUNF-OCCSQVGLSA-N 1 2 373.413 2.696 20 5 FFBDLO CCC(=O)N[C@H]1CCC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000251222968 509807694 /nfs/dbraw/zinc/80/76/94/509807694.db2.gz NJWHGPMGJAEUNF-OCCSQVGLSA-N 1 2 373.413 2.696 20 5 FFBDLO C[C@@H]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@H]1n1cc[nH+]c1 ZINC000268374572 509894067 /nfs/dbraw/zinc/89/40/67/509894067.db2.gz LIDRBVNCYNSPMC-MLGOLLRUSA-N 1 2 353.382 2.996 20 5 FFBDLO Nc1ccc([N+](=O)[O-])c(NCc2ccccc2OCC[NH+]2CCOCC2)c1 ZINC000193397617 509897457 /nfs/dbraw/zinc/89/74/57/509897457.db2.gz TWTRECWPIXCKLM-UHFFFAOYSA-N 1 2 372.425 2.500 20 5 FFBDLO C[C@H]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@@H]1n1cc[nH+]c1 ZINC000268413252 509914716 /nfs/dbraw/zinc/91/47/16/509914716.db2.gz ZIOGESBFBOWTCO-KSSFIOAISA-N 1 2 367.409 2.856 20 5 FFBDLO COC(=O)c1cnc(NCCCn2c(C)[nH+]c3ccccc32)c([N+](=O)[O-])c1 ZINC000190164685 509980585 /nfs/dbraw/zinc/98/05/85/509980585.db2.gz FBFLIABOWPFIOB-UHFFFAOYSA-N 1 2 369.381 2.937 20 5 FFBDLO CC1(C)C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C(C)(C)O1 ZINC000180569087 509988598 /nfs/dbraw/zinc/98/85/98/509988598.db2.gz COJANRJZLXJKDW-OAHLLOKOSA-N 1 2 358.398 2.856 20 5 FFBDLO C[NH+](C)[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000265340647 510001616 /nfs/dbraw/zinc/00/16/16/510001616.db2.gz VJVBPUZNXSSRCK-MRXNPFEDSA-N 1 2 363.364 2.835 20 5 FFBDLO Cn1c2ccc(NC(=O)c3cc([N+](=O)[O-])cnc3N)cc2[nH+]c1C1CC1 ZINC000180591886 510001686 /nfs/dbraw/zinc/00/16/86/510001686.db2.gz RWAOWBZADVOSSL-UHFFFAOYSA-N 1 2 352.354 2.588 20 5 FFBDLO CCc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)nc(C)n1 ZINC000174220017 510008575 /nfs/dbraw/zinc/00/85/75/510008575.db2.gz OUYNUKGOFADOPT-UHFFFAOYSA-N 1 2 352.354 2.694 20 5 FFBDLO 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C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000285363058 510877599 /nfs/dbraw/zinc/87/75/99/510877599.db2.gz QKHNEKQKIZMBCI-FZKQIMNGSA-N 1 2 374.397 2.587 20 5 FFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000285363058 510877608 /nfs/dbraw/zinc/87/76/08/510877608.db2.gz QKHNEKQKIZMBCI-FZKQIMNGSA-N 1 2 374.397 2.587 20 5 FFBDLO CS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000282264131 510907511 /nfs/dbraw/zinc/90/75/11/510907511.db2.gz CAGZOZRDJPQTLJ-ZDUSSCGKSA-N 1 2 366.464 2.942 20 5 FFBDLO CS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000282264131 510907514 /nfs/dbraw/zinc/90/75/14/510907514.db2.gz CAGZOZRDJPQTLJ-ZDUSSCGKSA-N 1 2 366.464 2.942 20 5 FFBDLO COCC1(CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCC1 ZINC000293963369 510912340 /nfs/dbraw/zinc/91/23/40/510912340.db2.gz TXQYRZBESGNUGR-UHFFFAOYSA-N 1 2 358.398 2.717 20 5 FFBDLO CC(C)c1nnc([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[nH]1 ZINC000270787945 510983950 /nfs/dbraw/zinc/98/39/50/510983950.db2.gz ULDPJOLWFBTDLI-NSHDSACASA-N 1 2 369.385 2.513 20 5 FFBDLO CN(C)c1cc(F)c(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000294792857 511179414 /nfs/dbraw/zinc/17/94/14/511179414.db2.gz DJVZWDLLSSVPRA-NSHDSACASA-N 1 2 361.377 2.543 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000298211167 511211199 /nfs/dbraw/zinc/21/11/99/511211199.db2.gz ZCRCCHZOMFJZDG-AWEZNQCLSA-N 1 2 361.402 2.518 20 5 FFBDLO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3c[nH+]cn3C)cc2[N+](=O)[O-])C1 ZINC000291488690 511217801 /nfs/dbraw/zinc/21/78/01/511217801.db2.gz QVRBKWUCNYIACP-ZIAGYGMSSA-N 1 2 371.441 2.741 20 5 FFBDLO Cc1cc(C[NH+]2CCN(c3nccc4cc([N+](=O)[O-])ccc43)CC2)on1 ZINC000295004963 511250113 /nfs/dbraw/zinc/25/01/13/511250113.db2.gz AJIPSWZJCOTGTJ-UHFFFAOYSA-N 1 2 353.382 2.762 20 5 FFBDLO CCC(=O)c1ccc(N2CC[NH+](Cc3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000280016710 511304871 /nfs/dbraw/zinc/30/48/71/511304871.db2.gz JILIIEBXOQEIRC-UHFFFAOYSA-N 1 2 354.410 2.905 20 5 FFBDLO CCOc1cc(C[N@@H+]2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000365189681 511308207 /nfs/dbraw/zinc/30/82/07/511308207.db2.gz LJHMSWFYJUNLAE-BHYGNILZSA-N 1 2 350.415 2.762 20 5 FFBDLO CCOc1cc(C[N@H+]2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000365189681 511308208 /nfs/dbraw/zinc/30/82/08/511308208.db2.gz LJHMSWFYJUNLAE-BHYGNILZSA-N 1 2 350.415 2.762 20 5 FFBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000295177954 511310540 /nfs/dbraw/zinc/31/05/40/511310540.db2.gz VHJIVUCQSKTJCL-CYBMUJFWSA-N 1 2 373.837 2.566 20 5 FFBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000295177954 511310543 /nfs/dbraw/zinc/31/05/43/511310543.db2.gz VHJIVUCQSKTJCL-CYBMUJFWSA-N 1 2 373.837 2.566 20 5 FFBDLO 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COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000363196420 511411594 /nfs/dbraw/zinc/41/15/94/511411594.db2.gz PYLLACDELHYSCE-HNNXBMFYSA-N 1 2 370.409 2.728 20 5 FFBDLO Cc1cc(OCc2nc([C@H]3C[N@H+](C(C)C)CCO3)no2)ccc1[N+](=O)[O-] ZINC000280420517 511458295 /nfs/dbraw/zinc/45/82/95/511458295.db2.gz QQNLJZDWNMOAOJ-OAHLLOKOSA-N 1 2 362.386 2.647 20 5 FFBDLO Cc1cc(OCc2nc([C@H]3C[N@@H+](C(C)C)CCO3)no2)ccc1[N+](=O)[O-] ZINC000280420517 511458304 /nfs/dbraw/zinc/45/83/04/511458304.db2.gz QQNLJZDWNMOAOJ-OAHLLOKOSA-N 1 2 362.386 2.647 20 5 FFBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])CCC2 ZINC000363507693 511596085 /nfs/dbraw/zinc/59/60/85/511596085.db2.gz ZYKKZLYSZYATEN-AWEZNQCLSA-N 1 2 358.398 2.562 20 5 FFBDLO Cc1c(NC(=O)CC[N@@H+](C)Cc2nncn2C(C)C)cccc1[N+](=O)[O-] ZINC000292510885 511624301 /nfs/dbraw/zinc/62/43/01/511624301.db2.gz VLDCPMOIGDTDCS-UHFFFAOYSA-N 1 2 360.418 2.536 20 5 FFBDLO Cc1c(NC(=O)CC[N@H+](C)Cc2nncn2C(C)C)cccc1[N+](=O)[O-] ZINC000292510885 511624306 /nfs/dbraw/zinc/62/43/06/511624306.db2.gz VLDCPMOIGDTDCS-UHFFFAOYSA-N 1 2 360.418 2.536 20 5 FFBDLO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000274126293 511726977 /nfs/dbraw/zinc/72/69/77/511726977.db2.gz NYXQQYPHDKKMNV-CQSZACIVSA-N 1 2 364.423 2.864 20 5 FFBDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000274126293 511726983 /nfs/dbraw/zinc/72/69/83/511726983.db2.gz NYXQQYPHDKKMNV-CQSZACIVSA-N 1 2 364.423 2.864 20 5 FFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN(C)[C@H](c2nc(C3CC3)no2)C1 ZINC000285033367 511977163 /nfs/dbraw/zinc/97/71/63/511977163.db2.gz VQXBUZGTGSVKIP-WBMJQRKESA-N 1 2 357.414 2.905 20 5 FFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCN(C)[C@H](c2nc(C3CC3)no2)C1 ZINC000285033367 511977171 /nfs/dbraw/zinc/97/71/71/511977171.db2.gz VQXBUZGTGSVKIP-WBMJQRKESA-N 1 2 357.414 2.905 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F ZINC000366364084 511979635 /nfs/dbraw/zinc/97/96/35/511979635.db2.gz AFXYDALLXAGIJW-MFKMUULPSA-N 1 2 370.331 2.655 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F ZINC000366364084 511979641 /nfs/dbraw/zinc/97/96/41/511979641.db2.gz AFXYDALLXAGIJW-MFKMUULPSA-N 1 2 370.331 2.655 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000374015599 512623925 /nfs/dbraw/zinc/62/39/25/512623925.db2.gz WKYRENLYPYJTFW-QWQRMKEZSA-N 1 2 350.415 2.762 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000374015599 512623929 /nfs/dbraw/zinc/62/39/29/512623929.db2.gz WKYRENLYPYJTFW-QWQRMKEZSA-N 1 2 350.415 2.762 20 5 FFBDLO COc1cc(CN[C@H]2C[N@H+](C)Cc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000378271388 512668589 /nfs/dbraw/zinc/66/85/89/512668589.db2.gz MQOSPVFFKODGHS-INIZCTEOSA-N 1 2 357.410 2.888 20 5 FFBDLO COc1cc(CN[C@H]2C[N@@H+](C)Cc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000378271388 512668590 /nfs/dbraw/zinc/66/85/90/512668590.db2.gz MQOSPVFFKODGHS-INIZCTEOSA-N 1 2 357.410 2.888 20 5 FFBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000378487686 512786160 /nfs/dbraw/zinc/78/61/60/512786160.db2.gz JHGXTYIQDXLGMQ-UHFFFAOYSA-N 1 2 364.352 2.578 20 5 FFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374409582 512819419 /nfs/dbraw/zinc/81/94/19/512819419.db2.gz ONGUTNMRZZCNIP-AWEZNQCLSA-N 1 2 369.425 2.851 20 5 FFBDLO O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000368554402 512998051 /nfs/dbraw/zinc/99/80/51/512998051.db2.gz KVTVQRYTWDHVBK-GDBMZVCRSA-N 1 2 367.833 2.621 20 5 FFBDLO CC(C)Oc1cc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000412211900 512998684 /nfs/dbraw/zinc/99/86/84/512998684.db2.gz UUZLBKAUYDNRQB-OAHLLOKOSA-N 1 2 370.409 2.786 20 5 FFBDLO C[C@H](NC(=O)NCc1ccnc(-n2cc[nH+]c2)c1)c1cccc([N+](=O)[O-])c1 ZINC000368823735 513114427 /nfs/dbraw/zinc/11/44/27/513114427.db2.gz MOMYJTVWCMSODW-ZDUSSCGKSA-N 1 2 366.381 2.736 20 5 FFBDLO CO[C@@](C)([C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000412580118 513172235 /nfs/dbraw/zinc/17/22/35/513172235.db2.gz DIKCQZBJSKDYNA-SGTLLEGYSA-N 1 2 358.398 2.714 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c([N+](=O)[O-])c1 ZINC000428735462 513177808 /nfs/dbraw/zinc/17/78/08/513177808.db2.gz DMIVSSGSGPHCFV-JJMVLAAESA-N 1 2 369.368 2.908 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c([N+](=O)[O-])c1 ZINC000428735462 513177816 /nfs/dbraw/zinc/17/78/16/513177816.db2.gz DMIVSSGSGPHCFV-JJMVLAAESA-N 1 2 369.368 2.908 20 5 FFBDLO CC(C)(C)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@H]1O ZINC000450424051 513188721 /nfs/dbraw/zinc/18/87/21/513188721.db2.gz JWKZXWVQYAONHO-RHSMWYFYSA-N 1 2 372.425 2.650 20 5 FFBDLO COc1cc(-c2noc(C[NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)n2)ncn1 ZINC000450680950 513300833 /nfs/dbraw/zinc/30/08/33/513300833.db2.gz LRGZWMHFHXAZAY-NSHDSACASA-N 1 2 370.369 2.603 20 5 FFBDLO CCc1cc(NCc2[nH+]ccn2CC)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450686070 513303464 /nfs/dbraw/zinc/30/34/64/513303464.db2.gz UGXSCWKALQRGQZ-UHFFFAOYSA-N 1 2 352.398 2.865 20 5 FFBDLO C[C@@H]1CN(c2ccc(CNc3ncc([N+](=O)[O-])cc3F)c[nH+]2)C[C@@H](C)O1 ZINC000413058793 513413397 /nfs/dbraw/zinc/41/33/97/513413397.db2.gz IOXRCHGKPXWUKX-VXGBXAGGSA-N 1 2 361.377 2.750 20 5 FFBDLO Cn1cc(N2CCC[C@H](Nc3[nH+]ccc4ccc([N+](=O)[O-])cc43)C2)cn1 ZINC000413166261 513495145 /nfs/dbraw/zinc/49/51/45/513495145.db2.gz UBSIKBJGYBNHJA-AWEZNQCLSA-N 1 2 352.398 2.957 20 5 FFBDLO CCc1nc(C(C)(C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)no1 ZINC000441259775 513523711 /nfs/dbraw/zinc/52/37/11/513523711.db2.gz LWWRSWUPRDUGHZ-UHFFFAOYSA-N 1 2 361.402 2.702 20 5 FFBDLO O=C(c1c[nH]c2cccc([N+](=O)[O-])c21)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000447676201 513538391 /nfs/dbraw/zinc/53/83/91/513538391.db2.gz DTCFXOIXHRJSEO-CYBMUJFWSA-N 1 2 352.350 2.765 20 5 FFBDLO CCN(CC)C(=O)C[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425388254 513538531 /nfs/dbraw/zinc/53/85/31/513538531.db2.gz RZUAIXLHRVUHIV-UHFFFAOYSA-N 1 2 358.236 2.658 20 5 FFBDLO CCN(CC)C(=O)C[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425388254 513538539 /nfs/dbraw/zinc/53/85/39/513538539.db2.gz RZUAIXLHRVUHIV-UHFFFAOYSA-N 1 2 358.236 2.658 20 5 FFBDLO CCc1cnc(N2CC[NH+](Cc3cc([N+](=O)[O-])ccc3OC)CC2)s1 ZINC000441341685 513545594 /nfs/dbraw/zinc/54/55/94/513545594.db2.gz OUSKCRYKLPGNQR-UHFFFAOYSA-N 1 2 362.455 2.945 20 5 FFBDLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425404235 513546557 /nfs/dbraw/zinc/54/65/57/513546557.db2.gz VQXQJUSCXRKXFK-CYBMUJFWSA-N 1 2 370.247 2.848 20 5 FFBDLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425404235 513546561 /nfs/dbraw/zinc/54/65/61/513546561.db2.gz VQXQJUSCXRKXFK-CYBMUJFWSA-N 1 2 370.247 2.848 20 5 FFBDLO Cc1c(CNc2cc(N3CC[C@H]([C@H](C)O)C3)nc[nH+]2)cccc1[N+](=O)[O-] ZINC000413264880 513556324 /nfs/dbraw/zinc/55/63/24/513556324.db2.gz NXDSXHHACKHOQN-ZFWWWQNUSA-N 1 2 357.414 2.512 20 5 FFBDLO Cc1c(CNc2cc(N3CC[C@H]([C@H](C)O)C3)[nH+]cn2)cccc1[N+](=O)[O-] ZINC000413264880 513556331 /nfs/dbraw/zinc/55/63/31/513556331.db2.gz NXDSXHHACKHOQN-ZFWWWQNUSA-N 1 2 357.414 2.512 20 5 FFBDLO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCCNc1cccc[nH+]1 ZINC000447799757 513571968 /nfs/dbraw/zinc/57/19/68/513571968.db2.gz LRQWJKDPUIFNPM-UHFFFAOYSA-N 1 2 350.762 2.954 20 5 FFBDLO C[C@@H](C[NH+]1CCOCC1)N(C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425466412 513581039 /nfs/dbraw/zinc/58/10/39/513581039.db2.gz ASXMYQPUWWFHCR-LBPRGKRZSA-N 1 2 372.263 2.510 20 5 FFBDLO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000430203509 513587093 /nfs/dbraw/zinc/58/70/93/513587093.db2.gz JDYFTOBSAPHVTC-HYXAFXHYSA-N 1 2 364.467 2.899 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1NCC1([NH+]2CCOCC2)CCOCC1 ZINC000413409123 513641297 /nfs/dbraw/zinc/64/12/97/513641297.db2.gz PETFRRBLLQCAPB-UHFFFAOYSA-N 1 2 369.849 2.850 20 5 FFBDLO Cc1cc(N(C[C@@H]2CCC(=O)N2)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413588065 513726993 /nfs/dbraw/zinc/72/69/93/513726993.db2.gz GBCDWDOGGUMUDL-HNNXBMFYSA-N 1 2 369.425 2.854 20 5 FFBDLO Cc1cc(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)cc1[N+](=O)[O-] ZINC000416422003 513764863 /nfs/dbraw/zinc/76/48/63/513764863.db2.gz HRWHHDHSNZVMLM-ZDUSSCGKSA-N 1 2 364.427 2.503 20 5 FFBDLO O=C(NCCNc1cccc[nH+]1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431538957 513924754 /nfs/dbraw/zinc/92/47/54/513924754.db2.gz WPVZAXBQGVFGMP-UHFFFAOYSA-N 1 2 365.187 2.594 20 5 FFBDLO C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@@H+]1Cc1ccccc1 ZINC000436748820 513967001 /nfs/dbraw/zinc/96/70/01/513967001.db2.gz HMFSDDWQJCCOQK-CXAGYDPISA-N 1 2 355.394 2.693 20 5 FFBDLO C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@H+]1Cc1ccccc1 ZINC000436748820 513967005 /nfs/dbraw/zinc/96/70/05/513967005.db2.gz HMFSDDWQJCCOQK-CXAGYDPISA-N 1 2 355.394 2.693 20 5 FFBDLO CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@@H]1[C@@H]1CCCO1 ZINC000451818413 514001420 /nfs/dbraw/zinc/00/14/20/514001420.db2.gz PJOLBOSSFONOGS-DLBZAZTESA-N 1 2 370.409 2.810 20 5 FFBDLO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC000436861588 514012889 /nfs/dbraw/zinc/01/28/89/514012889.db2.gz LLDPWJUQRHEBQH-KRWDZBQOSA-N 1 2 355.394 2.867 20 5 FFBDLO CC(C)[C@H]1[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC12CCC2 ZINC000427187888 514143504 /nfs/dbraw/zinc/14/35/04/514143504.db2.gz UHHJQRSMWPDFLV-MRXNPFEDSA-N 1 2 352.456 2.879 20 5 FFBDLO CC(C)[C@H]1[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC12CCC2 ZINC000427187888 514143511 /nfs/dbraw/zinc/14/35/11/514143511.db2.gz UHHJQRSMWPDFLV-MRXNPFEDSA-N 1 2 352.456 2.879 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000452655144 514444530 /nfs/dbraw/zinc/44/45/30/514444530.db2.gz FRTQPDXEARAEIC-DAYGRLMNSA-N 1 2 370.409 2.546 20 5 FFBDLO COC1CCC(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000450070616 514487439 /nfs/dbraw/zinc/48/74/39/514487439.db2.gz ZTYVBYGBKRVTGD-UHFFFAOYSA-N 1 2 358.398 2.716 20 5 FFBDLO CCN1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@H]1c1[nH]cc[nH+]1 ZINC000433468037 514499964 /nfs/dbraw/zinc/49/99/64/514499964.db2.gz HQZMBPBWVMXAQK-AWEZNQCLSA-N 1 2 369.381 2.583 20 5 FFBDLO COc1ccc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000433584959 514521452 /nfs/dbraw/zinc/52/14/52/514521452.db2.gz KTANOWFADQDMQF-CQSZACIVSA-N 1 2 358.354 2.684 20 5 FFBDLO O=C(N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C1([NH+]2CCOCC2)CCC1 ZINC000452869164 514525235 /nfs/dbraw/zinc/52/52/35/514525235.db2.gz YXORZRCFVYVOCG-KRWDZBQOSA-N 1 2 373.453 2.556 20 5 FFBDLO O=C(N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C1([NH+]2CCOCC2)CCC1 ZINC000452869166 514526315 /nfs/dbraw/zinc/52/63/15/514526315.db2.gz YXORZRCFVYVOCG-QGZVFWFLSA-N 1 2 373.453 2.556 20 5 FFBDLO CC(C)[C@H](O)C(C)(C)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450216356 514547796 /nfs/dbraw/zinc/54/77/96/514547796.db2.gz QAZFKSHEUXWDDB-INIZCTEOSA-N 1 2 360.414 2.553 20 5 FFBDLO COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)s1 ZINC000453585256 514703771 /nfs/dbraw/zinc/70/37/71/514703771.db2.gz NNVPOJSLBQWQAV-UHFFFAOYSA-N 1 2 361.423 2.765 20 5 FFBDLO COc1cccc(C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@H]2CCCO2)c1 ZINC000475539113 514708312 /nfs/dbraw/zinc/70/83/12/514708312.db2.gz WFQKBRCVUCXNLW-MRXNPFEDSA-N 1 2 360.414 2.518 20 5 FFBDLO COc1cccc(C[N@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@H]2CCCO2)c1 ZINC000475539113 514708318 /nfs/dbraw/zinc/70/83/18/514708318.db2.gz WFQKBRCVUCXNLW-MRXNPFEDSA-N 1 2 360.414 2.518 20 5 FFBDLO COc1cc(C[N@H+](CCO)Cc2ccc(C)o2)c([N+](=O)[O-])cc1OC ZINC000475636867 514743342 /nfs/dbraw/zinc/74/33/42/514743342.db2.gz WQJIFWMVISUZOV-UHFFFAOYSA-N 1 2 350.371 2.508 20 5 FFBDLO COc1cc(C[N@@H+](CCO)Cc2ccc(C)o2)c([N+](=O)[O-])cc1OC ZINC000475636867 514743347 /nfs/dbraw/zinc/74/33/47/514743347.db2.gz WQJIFWMVISUZOV-UHFFFAOYSA-N 1 2 350.371 2.508 20 5 FFBDLO C[C@@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](C)[S@@]1=O ZINC000484710776 514758536 /nfs/dbraw/zinc/75/85/36/514758536.db2.gz GWGFGMSGKHOAJN-UCSHMGCTSA-N 1 2 363.439 2.634 20 5 FFBDLO C[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](C)[S@@]1=O ZINC000484710776 514758545 /nfs/dbraw/zinc/75/85/45/514758545.db2.gz GWGFGMSGKHOAJN-UCSHMGCTSA-N 1 2 363.439 2.634 20 5 FFBDLO O=C1CC[C@@H]2C[N@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)CC[C@H]2N1C1CC1 ZINC000509006597 514986697 /nfs/dbraw/zinc/98/66/97/514986697.db2.gz KRJMVVKFXWPTHX-PIGZYNQJSA-N 1 2 365.380 2.848 20 5 FFBDLO O=C1CC[C@@H]2C[N@@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)CC[C@H]2N1C1CC1 ZINC000509006597 514986704 /nfs/dbraw/zinc/98/67/04/514986704.db2.gz KRJMVVKFXWPTHX-PIGZYNQJSA-N 1 2 365.380 2.848 20 5 FFBDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3nc(C)cc(C)c3[N+](=O)[O-])CC2)no1 ZINC000480788184 515082894 /nfs/dbraw/zinc/08/28/94/515082894.db2.gz QFQYQLWQHHAAFY-HNNXBMFYSA-N 1 2 374.445 2.789 20 5 FFBDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3nc(C)cc(C)c3[N+](=O)[O-])CC2)no1 ZINC000480788184 515082903 /nfs/dbraw/zinc/08/29/03/515082903.db2.gz QFQYQLWQHHAAFY-HNNXBMFYSA-N 1 2 374.445 2.789 20 5 FFBDLO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2[nH+]ccn2CC)cc1OC ZINC000456394738 515154199 /nfs/dbraw/zinc/15/41/99/515154199.db2.gz RBGNJSXWFBPMLA-NSHDSACASA-N 1 2 362.386 2.710 20 5 FFBDLO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)cc1SC ZINC000456401755 515160071 /nfs/dbraw/zinc/16/00/71/515160071.db2.gz WAIFMNAOLJCFCE-MWLCHTKSSA-N 1 2 362.411 2.958 20 5 FFBDLO CN(C)c1[nH+]cccc1CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000472357252 515243336 /nfs/dbraw/zinc/24/33/36/515243336.db2.gz YUZZDTFBUPSSCC-UHFFFAOYSA-N 1 2 371.441 2.500 20 5 FFBDLO CC[C@H]1C[N@H+](CCNc2ccc(Br)cc2[N+](=O)[O-])CCO1 ZINC000486021246 515300070 /nfs/dbraw/zinc/30/00/70/515300070.db2.gz XEBQMOMTNCHKFF-LBPRGKRZSA-N 1 2 358.236 2.880 20 5 FFBDLO CC[C@H]1C[N@@H+](CCNc2ccc(Br)cc2[N+](=O)[O-])CCO1 ZINC000486021246 515300072 /nfs/dbraw/zinc/30/00/72/515300072.db2.gz XEBQMOMTNCHKFF-LBPRGKRZSA-N 1 2 358.236 2.880 20 5 FFBDLO COc1ccc(OCC[N@@H+]2CCC[C@H]2C(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC000477270490 515392797 /nfs/dbraw/zinc/39/27/97/515392797.db2.gz DHIZBPLTIGMPEC-AWEZNQCLSA-N 1 2 366.414 2.788 20 5 FFBDLO COc1ccc(OCC[N@H+]2CCC[C@H]2C(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC000477270490 515392807 /nfs/dbraw/zinc/39/28/07/515392807.db2.gz DHIZBPLTIGMPEC-AWEZNQCLSA-N 1 2 366.414 2.788 20 5 FFBDLO CC(=Cc1cccc([N+](=O)[O-])c1)CNc1ccc(N2CCOCC2)c[nH+]1 ZINC000468639902 515450358 /nfs/dbraw/zinc/45/03/58/515450358.db2.gz UPDPPEKHYUEYRH-PTNGSMBKSA-N 1 2 354.410 2.764 20 5 FFBDLO Cc1c(CC(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)cccc1[N+](=O)[O-] ZINC000505470141 515544736 /nfs/dbraw/zinc/54/47/36/515544736.db2.gz XSTQKTBKCKCYOG-QGZVFWFLSA-N 1 2 357.385 2.758 20 5 FFBDLO CCOc1cc(CN2CCCC[C@H]2C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000492629351 515549349 /nfs/dbraw/zinc/54/93/49/515549349.db2.gz JXUKVXGSCFBVIH-KRWDZBQOSA-N 1 2 363.458 2.680 20 5 FFBDLO Cc1cc(N2C[C@@H](C)S(=O)[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000477801804 515598026 /nfs/dbraw/zinc/59/80/26/515598026.db2.gz RREBKZMEXJHFDR-CHWSQXEVSA-N 1 2 360.439 2.706 20 5 FFBDLO CCc1cc(NCCOC(F)(F)F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000473705580 515723055 /nfs/dbraw/zinc/72/30/55/515723055.db2.gz JUNQCADUONDQSD-UHFFFAOYSA-N 1 2 356.304 2.984 20 5 FFBDLO C[C@@H]1C[C@@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000454782903 515739338 /nfs/dbraw/zinc/73/93/38/515739338.db2.gz UDCBBORTFFMGOO-ZWNOBZJWSA-N 1 2 363.805 2.992 20 5 FFBDLO Cc1cc[nH+]cc1N1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000500676034 515813646 /nfs/dbraw/zinc/81/36/46/515813646.db2.gz FYTUVNVSURNQDM-UHFFFAOYSA-N 1 2 365.393 2.742 20 5 FFBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1cc3cccc([N+](=O)[O-])c3[nH]1)CCC2 ZINC000501032703 515945420 /nfs/dbraw/zinc/94/54/20/515945420.db2.gz BCHLZWDHIDARFQ-CYBMUJFWSA-N 1 2 353.382 2.888 20 5 FFBDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)C2 ZINC000474285710 515973024 /nfs/dbraw/zinc/97/30/24/515973024.db2.gz PAXUGPARIAAPKA-CYBMUJFWSA-N 1 2 371.441 2.775 20 5 FFBDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)CC2 ZINC000474285710 515973031 /nfs/dbraw/zinc/97/30/31/515973031.db2.gz PAXUGPARIAAPKA-CYBMUJFWSA-N 1 2 371.441 2.775 20 5 FFBDLO COc1c(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000474416098 516036840 /nfs/dbraw/zinc/03/68/40/516036840.db2.gz RZZFNKXPWUBANO-QGZVFWFLSA-N 1 2 355.394 2.732 20 5 FFBDLO COc1c(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000474416098 516036854 /nfs/dbraw/zinc/03/68/54/516036854.db2.gz RZZFNKXPWUBANO-QGZVFWFLSA-N 1 2 355.394 2.732 20 5 FFBDLO Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000470028869 516085654 /nfs/dbraw/zinc/08/56/54/516085654.db2.gz DEPBHSJWRSEYBG-KRWDZBQOSA-N 1 2 372.421 2.715 20 5 FFBDLO O=C(CC[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1)Nc1cccc(F)c1 ZINC000470031577 516087323 /nfs/dbraw/zinc/08/73/23/516087323.db2.gz KCUAMOZCEONAKC-UHFFFAOYSA-N 1 2 359.357 2.826 20 5 FFBDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc([N+](=O)[O-])n2C)C[C@@H](C)O1 ZINC000501483491 516118351 /nfs/dbraw/zinc/11/83/51/516118351.db2.gz WMOFJFIQMUNEHU-ZIAGYGMSSA-N 1 2 372.425 2.795 20 5 FFBDLO C[C@@H]1C[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C[C@H](CO)O1 ZINC000470153400 516149059 /nfs/dbraw/zinc/14/90/59/516149059.db2.gz YLCBWFKFSGQZLS-CRAIPNDOSA-N 1 2 371.437 2.944 20 5 FFBDLO C[C@@H]1C[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C[C@H](CO)O1 ZINC000470153400 516149069 /nfs/dbraw/zinc/14/90/69/516149069.db2.gz YLCBWFKFSGQZLS-CRAIPNDOSA-N 1 2 371.437 2.944 20 5 FFBDLO C[C@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000495469333 516172502 /nfs/dbraw/zinc/17/25/02/516172502.db2.gz FKEQPNAOUBZBGW-CYBMUJFWSA-N 1 2 350.382 2.690 20 5 FFBDLO C[C@H](c1cn(-c2ccccc2)nn1)[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000495469333 516172514 /nfs/dbraw/zinc/17/25/14/516172514.db2.gz FKEQPNAOUBZBGW-CYBMUJFWSA-N 1 2 350.382 2.690 20 5 FFBDLO Cc1ccc2c(c1)C[N@H+]([C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)CCO2 ZINC000512272179 516218819 /nfs/dbraw/zinc/21/88/19/516218819.db2.gz YDXJETYDMJFUDA-GOSISDBHSA-N 1 2 367.405 2.903 20 5 FFBDLO Cc1ccc2c(c1)C[N@@H+]([C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)CCO2 ZINC000512272179 516218822 /nfs/dbraw/zinc/21/88/22/516218822.db2.gz YDXJETYDMJFUDA-GOSISDBHSA-N 1 2 367.405 2.903 20 5 FFBDLO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000512702397 516329911 /nfs/dbraw/zinc/32/99/11/516329911.db2.gz FKNGVYHPDQXDBD-CJNGLKHVSA-N 1 2 355.394 2.866 20 5 FFBDLO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000512702397 516329913 /nfs/dbraw/zinc/32/99/13/516329913.db2.gz FKNGVYHPDQXDBD-CJNGLKHVSA-N 1 2 355.394 2.866 20 5 FFBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCCCNc1cccc[nH+]1 ZINC000522871523 516336539 /nfs/dbraw/zinc/33/65/39/516336539.db2.gz ZIIACKUKSSYHRZ-UHFFFAOYSA-N 1 2 353.382 2.563 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000561123742 516393404 /nfs/dbraw/zinc/39/34/04/516393404.db2.gz YOEYMVYVEMKNDH-KRWDZBQOSA-N 1 2 357.414 2.788 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000543929287 516501437 /nfs/dbraw/zinc/50/14/37/516501437.db2.gz YYKPLXZDFXJBHY-ZDUSSCGKSA-N 1 2 355.394 2.989 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000543929287 516501448 /nfs/dbraw/zinc/50/14/48/516501448.db2.gz YYKPLXZDFXJBHY-ZDUSSCGKSA-N 1 2 355.394 2.989 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@H](CO)c3ccc(F)cc3)n2)cc1 ZINC000554636630 516559272 /nfs/dbraw/zinc/55/92/72/516559272.db2.gz VZKIEZWZYDZZLX-OAHLLOKOSA-N 1 2 358.329 2.607 20 5 FFBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c[nH+]ccc1-n1ccnn1 ZINC000558274522 516674770 /nfs/dbraw/zinc/67/47/70/516674770.db2.gz DIMJMJWGWYYCTD-CQSZACIVSA-N 1 2 366.381 2.778 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000561820540 516786817 /nfs/dbraw/zinc/78/68/17/516786817.db2.gz OPGMDGGGWFLTNS-CYBMUJFWSA-N 1 2 366.324 2.811 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000518914883 516819296 /nfs/dbraw/zinc/81/92/96/516819296.db2.gz OCFTWBIOQJCDLG-LLVKDONJSA-N 1 2 351.357 2.683 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000518914883 516819307 /nfs/dbraw/zinc/81/93/07/516819307.db2.gz OCFTWBIOQJCDLG-LLVKDONJSA-N 1 2 351.357 2.683 20 5 FFBDLO C[C@H](c1cccc(NC(=O)c2cc([N+](=O)[O-])cn2C)c1)[NH+]1CCOCC1 ZINC000519132761 516895665 /nfs/dbraw/zinc/89/56/65/516895665.db2.gz AWGCAUZBUXHEKX-CYBMUJFWSA-N 1 2 358.398 2.579 20 5 FFBDLO COCC[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000555364679 516900840 /nfs/dbraw/zinc/90/08/40/516900840.db2.gz NRXGNUCQHLZVIJ-UHFFFAOYSA-N 1 2 360.366 2.678 20 5 FFBDLO COCC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000555364679 516900849 /nfs/dbraw/zinc/90/08/49/516900849.db2.gz NRXGNUCQHLZVIJ-UHFFFAOYSA-N 1 2 360.366 2.678 20 5 FFBDLO C[C@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC2(CCC2)O1 ZINC000514725731 517026426 /nfs/dbraw/zinc/02/64/26/517026426.db2.gz RRNLSZDEVBAHGR-HNNXBMFYSA-N 1 2 361.442 2.575 20 5 FFBDLO COc1c(C(=O)Nc2ccc3[nH]c(N(C)C)[nH+]c3c2)cccc1[N+](=O)[O-] ZINC000559053567 517059585 /nfs/dbraw/zinc/05/95/85/517059585.db2.gz LMDWJWGXIAQCAS-UHFFFAOYSA-N 1 2 355.354 2.798 20 5 FFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000552229749 517153061 /nfs/dbraw/zinc/15/30/61/517153061.db2.gz UIOFKDCARUNSHV-HDJSIYSDSA-N 1 2 355.398 2.846 20 5 FFBDLO COc1ccc(CC(=O)Nc2ccc3[nH]c(N(C)C)[nH+]c3c2)cc1[N+](=O)[O-] ZINC000520258619 517320161 /nfs/dbraw/zinc/32/01/61/517320161.db2.gz YYGIDOXZHYWWLT-UHFFFAOYSA-N 1 2 369.381 2.727 20 5 FFBDLO CN(C)c1[nH+]cccc1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000545877855 517410366 /nfs/dbraw/zinc/41/03/66/517410366.db2.gz CKJHRZBACMDXDV-UHFFFAOYSA-N 1 2 360.389 2.789 20 5 FFBDLO O=C(C[N@@H+]1CCC[C@H]1c1ccccn1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000533347449 517420784 /nfs/dbraw/zinc/42/07/84/517420784.db2.gz GLMPDUUMTLVZPG-SFHVURJKSA-N 1 2 352.394 2.716 20 5 FFBDLO O=C(C[N@H+]1CCC[C@H]1c1ccccn1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000533347449 517420794 /nfs/dbraw/zinc/42/07/94/517420794.db2.gz GLMPDUUMTLVZPG-SFHVURJKSA-N 1 2 352.394 2.716 20 5 FFBDLO CCOc1cc(N2CC[NH+](Cc3ccc(OC)cn3)CC2)ccc1[N+](=O)[O-] ZINC000549174687 517437509 /nfs/dbraw/zinc/43/75/09/517437509.db2.gz SNLXZGSRESIMFC-UHFFFAOYSA-N 1 2 372.425 2.719 20 5 FFBDLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000533514948 517500592 /nfs/dbraw/zinc/50/05/92/517500592.db2.gz FNGJTJKQUWAHSH-OAHLLOKOSA-N 1 2 369.425 2.732 20 5 FFBDLO Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000533514948 517500600 /nfs/dbraw/zinc/50/06/00/517500600.db2.gz FNGJTJKQUWAHSH-OAHLLOKOSA-N 1 2 369.425 2.732 20 5 FFBDLO Cc1c(Br)c(NCc2ccc[nH+]c2N(C)C)ncc1[N+](=O)[O-] ZINC000542521999 517609398 /nfs/dbraw/zinc/60/93/98/517609398.db2.gz ZRWSDUAPOOINLP-UHFFFAOYSA-N 1 2 366.219 2.556 20 5 FFBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549708886 517665873 /nfs/dbraw/zinc/66/58/73/517665873.db2.gz GKYNFAORANJAMT-IUODEOHRSA-N 1 2 373.375 2.909 20 5 FFBDLO COc1ccc(CNC(=O)NCc2cn3c(cccc3C)[nH+]2)cc1[N+](=O)[O-] ZINC000538698793 517730328 /nfs/dbraw/zinc/73/03/28/517730328.db2.gz FCTQFTBCFVHZEI-UHFFFAOYSA-N 1 2 369.381 2.559 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@H](CO)c3cccc(F)c3)n2)c1 ZINC000542885572 517799015 /nfs/dbraw/zinc/79/90/15/517799015.db2.gz AWUVYVDWLQEGKH-OAHLLOKOSA-N 1 2 358.329 2.607 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]CCNc1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000560529000 517875075 /nfs/dbraw/zinc/87/50/75/517875075.db2.gz TWFLZNZGCFGPQP-KRWDZBQOSA-N 1 2 352.398 2.514 20 5 FFBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nc([C@H]2C[N@H+](C)CCN2C)no1 ZINC000547206077 518021683 /nfs/dbraw/zinc/02/16/83/518021683.db2.gz KGZSHXRQNIZPTI-BXUZGUMPSA-N 1 2 363.443 2.749 20 5 FFBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nc([C@H]2C[N@@H+](C)CCN2C)no1 ZINC000547206077 518021692 /nfs/dbraw/zinc/02/16/92/518021692.db2.gz KGZSHXRQNIZPTI-BXUZGUMPSA-N 1 2 363.443 2.749 20 5 FFBDLO COc1ccccc1C[NH+]1CCN(c2c(OC)cccc2[N+](=O)[O-])CC1 ZINC000567179515 518392921 /nfs/dbraw/zinc/39/29/21/518392921.db2.gz IQPUYEPWILITGV-UHFFFAOYSA-N 1 2 357.410 2.934 20 5 FFBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000581901314 518492903 /nfs/dbraw/zinc/49/29/03/518492903.db2.gz OAKVROYZYJEVIU-UHFFFAOYSA-N 1 2 367.365 2.886 20 5 FFBDLO Cc1nn(C)c2ncc(C[N@@H+]3CCOc4ccc([N+](=O)[O-])cc4C3)cc12 ZINC000570249740 518515255 /nfs/dbraw/zinc/51/52/55/518515255.db2.gz CYQDODRVNQPGND-UHFFFAOYSA-N 1 2 353.382 2.580 20 5 FFBDLO Cc1nn(C)c2ncc(C[N@H+]3CCOc4ccc([N+](=O)[O-])cc4C3)cc12 ZINC000570249740 518515259 /nfs/dbraw/zinc/51/52/59/518515259.db2.gz CYQDODRVNQPGND-UHFFFAOYSA-N 1 2 353.382 2.580 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC(F)(F)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000582209748 518637907 /nfs/dbraw/zinc/63/79/07/518637907.db2.gz DSSCQOLBTSBCPT-QWRGUYRKSA-N 1 2 357.357 2.908 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC(F)(F)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000582209748 518637914 /nfs/dbraw/zinc/63/79/14/518637914.db2.gz DSSCQOLBTSBCPT-QWRGUYRKSA-N 1 2 357.357 2.908 20 5 FFBDLO CCC[C@H](C)C(=O)NCC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000579620104 518769251 /nfs/dbraw/zinc/76/92/51/518769251.db2.gz SKHAPOPUVHAPOT-WMLDXEAASA-N 1 2 373.457 2.560 20 5 FFBDLO Cc1ccccc1-n1cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)nn1 ZINC000576864731 518802478 /nfs/dbraw/zinc/80/24/78/518802478.db2.gz WUXYTQMQMSFEAN-UHFFFAOYSA-N 1 2 363.381 2.650 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCOCCOc1ccccc1)CCO2 ZINC000570888804 518826687 /nfs/dbraw/zinc/82/66/87/518826687.db2.gz CSKCPYNOZUWJOW-UHFFFAOYSA-N 1 2 358.394 2.885 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCOCCOc1ccccc1)CCO2 ZINC000570888804 518826689 /nfs/dbraw/zinc/82/66/89/518826689.db2.gz CSKCPYNOZUWJOW-UHFFFAOYSA-N 1 2 358.394 2.885 20 5 FFBDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000582613631 518838699 /nfs/dbraw/zinc/83/86/99/518838699.db2.gz DGBXOTHZMQNCAI-ZDUSSCGKSA-N 1 2 358.398 2.567 20 5 FFBDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000582613631 518838706 /nfs/dbraw/zinc/83/87/06/518838706.db2.gz DGBXOTHZMQNCAI-ZDUSSCGKSA-N 1 2 358.398 2.567 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])s1)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000588844417 518847750 /nfs/dbraw/zinc/84/77/50/518847750.db2.gz IZFWVNYTXVSHOL-UHFFFAOYSA-N 1 2 366.468 2.891 20 5 FFBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000588844536 518847919 /nfs/dbraw/zinc/84/79/19/518847919.db2.gz OGEPBXILMOAJFV-UHFFFAOYSA-N 1 2 374.466 2.758 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000579797973 518855124 /nfs/dbraw/zinc/85/51/24/518855124.db2.gz WECFTDJJZUEZMA-PBHICJAKSA-N 1 2 352.456 2.865 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000579797973 518855128 /nfs/dbraw/zinc/85/51/28/518855128.db2.gz WECFTDJJZUEZMA-PBHICJAKSA-N 1 2 352.456 2.865 20 5 FFBDLO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000565266987 518869140 /nfs/dbraw/zinc/86/91/40/518869140.db2.gz UYLCNMKDLTWFGG-QGZVFWFLSA-N 1 2 373.457 2.913 20 5 FFBDLO Cn1cc[nH+]c1[C@H](CC(=O)NCCc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000582854453 518955024 /nfs/dbraw/zinc/95/50/24/518955024.db2.gz OKHIKGYZHNBUBB-LBPRGKRZSA-N 1 2 370.331 2.723 20 5 FFBDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@@H+]2Cc2c(Cl)cccc2[N+](=O)[O-])O1 ZINC000580468512 519192363 /nfs/dbraw/zinc/19/23/63/519192363.db2.gz OOYBMYQSTKQENQ-XGVBPZLHSA-N 1 2 368.817 2.932 20 5 FFBDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@H+]2Cc2c(Cl)cccc2[N+](=O)[O-])O1 ZINC000580468512 519192367 /nfs/dbraw/zinc/19/23/67/519192367.db2.gz OOYBMYQSTKQENQ-XGVBPZLHSA-N 1 2 368.817 2.932 20 5 FFBDLO COc1cc(NCc2cc[nH+]c(N3CCOCC3)c2)c([N+](=O)[O-])cc1C ZINC000590571097 519270553 /nfs/dbraw/zinc/27/05/53/519270553.db2.gz LQUXKDQXOJOEMZ-UHFFFAOYSA-N 1 2 358.398 2.756 20 5 FFBDLO COC(=O)c1ccnc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1[N+](=O)[O-] ZINC000590574721 519271141 /nfs/dbraw/zinc/27/11/41/519271141.db2.gz KKNOFMJXMXSJBL-UHFFFAOYSA-N 1 2 371.328 2.713 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@H](OC(F)F)C1 ZINC000590701871 519324010 /nfs/dbraw/zinc/32/40/10/519324010.db2.gz NPKHAAFXMNBWOY-LBPRGKRZSA-N 1 2 366.324 2.624 20 5 FFBDLO COc1cccc2c1C[N@@H+]([C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000590760057 519354991 /nfs/dbraw/zinc/35/49/91/519354991.db2.gz OJLIDEVTZYFGGT-SFHVURJKSA-N 1 2 367.405 2.767 20 5 FFBDLO COc1cccc2c1C[N@H+]([C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000590760057 519354992 /nfs/dbraw/zinc/35/49/92/519354992.db2.gz OJLIDEVTZYFGGT-SFHVURJKSA-N 1 2 367.405 2.767 20 5 FFBDLO O=C(Nc1ccn2cc[nH+]c2c1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000575098296 519497922 /nfs/dbraw/zinc/49/79/22/519497922.db2.gz CBHWQFKPXQIEGK-UHFFFAOYSA-N 1 2 366.381 2.597 20 5 FFBDLO O=C(c1ccccc1)N1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000584006796 519543780 /nfs/dbraw/zinc/54/37/80/519543780.db2.gz TZEMOUNMCJOJBW-UHFFFAOYSA-N 1 2 355.394 2.649 20 5 FFBDLO O=C(c1ccccc1)N1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000584006796 519543785 /nfs/dbraw/zinc/54/37/85/519543785.db2.gz TZEMOUNMCJOJBW-UHFFFAOYSA-N 1 2 355.394 2.649 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NCc1cccc2c1OCO2)c1cccc([N+](=O)[O-])c1 ZINC000566669885 519604883 /nfs/dbraw/zinc/60/48/83/519604883.db2.gz OZGZWLBUEOPIAD-QGZVFWFLSA-N 1 2 366.377 2.936 20 5 FFBDLO COc1ccc2c(c1)CN(c1cc(C[NH+]3CCOCC3)ccc1[N+](=O)[O-])C2 ZINC000594604733 520049830 /nfs/dbraw/zinc/04/98/30/520049830.db2.gz XZVBFNQKFKTXNU-UHFFFAOYSA-N 1 2 369.421 2.956 20 5 FFBDLO CCc1cc(NCCCc2cnn(C)c2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000608856061 520145425 /nfs/dbraw/zinc/14/54/25/520145425.db2.gz BAKYJRWFMBQBLO-UHFFFAOYSA-N 1 2 366.425 2.814 20 5 FFBDLO CC(C)c1ccc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000597706355 520188005 /nfs/dbraw/zinc/18/80/05/520188005.db2.gz DJKLHGBUCYCHLY-MRXNPFEDSA-N 1 2 361.442 2.655 20 5 FFBDLO C[C@H]1c2ccccc2OCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000609145502 520208100 /nfs/dbraw/zinc/20/81/00/520208100.db2.gz GVXQDVLAUVFSCJ-AWEZNQCLSA-N 1 2 367.405 2.940 20 5 FFBDLO C[C@H]1c2ccccc2OCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000609145502 520208107 /nfs/dbraw/zinc/20/81/07/520208107.db2.gz GVXQDVLAUVFSCJ-AWEZNQCLSA-N 1 2 367.405 2.940 20 5 FFBDLO C[C@@H](c1cccc(NC(=O)c2ccc([N+](=O)[O-])n2C)c1)[NH+]1CCOCC1 ZINC000609183196 520222847 /nfs/dbraw/zinc/22/28/47/520222847.db2.gz NMYMEHIQODRUCU-ZDUSSCGKSA-N 1 2 358.398 2.579 20 5 FFBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000600422171 520251013 /nfs/dbraw/zinc/25/10/13/520251013.db2.gz SNKKYZPGSMLEBO-AWEZNQCLSA-N 1 2 367.471 2.547 20 5 FFBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000600422171 520251017 /nfs/dbraw/zinc/25/10/17/520251017.db2.gz SNKKYZPGSMLEBO-AWEZNQCLSA-N 1 2 367.471 2.547 20 5 FFBDLO C[C@H]1C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC2(CCCC2)O1 ZINC000592195888 520257640 /nfs/dbraw/zinc/25/76/40/520257640.db2.gz VKFBYJQPVYWHKF-AWEZNQCLSA-N 1 2 359.426 2.517 20 5 FFBDLO C[C@H]1C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC2(CCCC2)O1 ZINC000592195888 520257641 /nfs/dbraw/zinc/25/76/41/520257641.db2.gz VKFBYJQPVYWHKF-AWEZNQCLSA-N 1 2 359.426 2.517 20 5 FFBDLO O=C1C[C@H]([N@@H+]2CCCc3sccc3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000609323692 520277519 /nfs/dbraw/zinc/27/75/19/520277519.db2.gz SAOKTFSMPZYKOK-HNNXBMFYSA-N 1 2 371.418 2.737 20 5 FFBDLO O=C1C[C@H]([N@H+]2CCCc3sccc3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000609323692 520277527 /nfs/dbraw/zinc/27/75/27/520277527.db2.gz SAOKTFSMPZYKOK-HNNXBMFYSA-N 1 2 371.418 2.737 20 5 FFBDLO COc1cccc(C(=O)NCc2ccc[nH+]c2N2CCCC2)c1[N+](=O)[O-] ZINC000597940891 520340415 /nfs/dbraw/zinc/34/04/15/520340415.db2.gz MJVPHISMRPXODI-UHFFFAOYSA-N 1 2 356.382 2.529 20 5 FFBDLO Cc1c(CC(=O)NCc2ccc[nH+]c2N2CCCC2)cccc1[N+](=O)[O-] ZINC000597941514 520341199 /nfs/dbraw/zinc/34/11/99/520341199.db2.gz QVZBVQYQJJNRER-UHFFFAOYSA-N 1 2 354.410 2.757 20 5 FFBDLO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000603681483 520342328 /nfs/dbraw/zinc/34/23/28/520342328.db2.gz VYOQGKKHSVOVQK-GJYPPUQNSA-N 1 2 374.485 2.800 20 5 FFBDLO COc1cc(C(=O)NCc2ccc[nH+]c2N2CCCC2)cc([N+](=O)[O-])c1C ZINC000597942399 520342956 /nfs/dbraw/zinc/34/29/56/520342956.db2.gz XNPTUBSLCSSSMR-UHFFFAOYSA-N 1 2 370.409 2.837 20 5 FFBDLO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609550037 520355398 /nfs/dbraw/zinc/35/53/98/520355398.db2.gz MVYALYDBDDYIGY-ZDUSSCGKSA-N 1 2 367.365 2.522 20 5 FFBDLO CC(C)c1cc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)on1 ZINC000609621322 520382603 /nfs/dbraw/zinc/38/26/03/520382603.db2.gz BOSZNBLHXBFNDT-UHFFFAOYSA-N 1 2 355.354 2.822 20 5 FFBDLO CC1CCN(c2ccc(C(=O)N3CC(n4cc[nH+]c4)C3)cc2[N+](=O)[O-])CC1 ZINC000609624899 520385088 /nfs/dbraw/zinc/38/50/88/520385088.db2.gz YDLCJRQJRGOIJN-UHFFFAOYSA-N 1 2 369.425 2.725 20 5 FFBDLO COc1cccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1Cl ZINC000595286194 520385139 /nfs/dbraw/zinc/38/51/39/520385139.db2.gz DWUAYUAWAKHFQA-UHFFFAOYSA-N 1 2 362.817 2.974 20 5 FFBDLO COc1ccc(C(=O)C2CC[NH+](Cc3onc(C)c3[N+](=O)[O-])CC2)cc1 ZINC000595286397 520385205 /nfs/dbraw/zinc/38/52/05/520385205.db2.gz CDDCHDWOTKQGSL-UHFFFAOYSA-N 1 2 359.382 2.995 20 5 FFBDLO Cc1noc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000595289794 520387682 /nfs/dbraw/zinc/38/76/82/520387682.db2.gz UDHGMIPIMCPGAA-UHFFFAOYSA-N 1 2 350.806 2.862 20 5 FFBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000603877921 520388498 /nfs/dbraw/zinc/38/84/98/520388498.db2.gz AXWJEHMFSCDLMM-LSDHHAIUSA-N 1 2 371.441 2.846 20 5 FFBDLO Cc1noc(C[N@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c1[N+](=O)[O-] ZINC000595291486 520390492 /nfs/dbraw/zinc/39/04/92/520390492.db2.gz ZFSJCNKCFYWLGC-UHFFFAOYSA-N 1 2 370.409 2.948 20 5 FFBDLO Cc1noc(C[N@@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c1[N+](=O)[O-] ZINC000595291486 520390500 /nfs/dbraw/zinc/39/05/00/520390500.db2.gz ZFSJCNKCFYWLGC-UHFFFAOYSA-N 1 2 370.409 2.948 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCOc2ccccc2C1 ZINC000604187387 520475970 /nfs/dbraw/zinc/47/59/70/520475970.db2.gz VQMWVUMCMLAJFH-UHFFFAOYSA-N 1 2 364.361 2.815 20 5 FFBDLO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000598194346 520483878 /nfs/dbraw/zinc/48/38/78/520483878.db2.gz FWUAWGCXRYWHRB-KRWDZBQOSA-N 1 2 369.421 2.689 20 5 FFBDLO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000598194346 520483884 /nfs/dbraw/zinc/48/38/84/520483884.db2.gz FWUAWGCXRYWHRB-KRWDZBQOSA-N 1 2 369.421 2.689 20 5 FFBDLO CCOc1cc(N2CC[NH+](Cc3nc(C)oc3C)CC2)ccc1[N+](=O)[O-] ZINC000595464215 520489463 /nfs/dbraw/zinc/48/94/63/520489463.db2.gz GRXLPIVZABCGJV-UHFFFAOYSA-N 1 2 360.414 2.921 20 5 FFBDLO COc1cccc([C@H]2[C@H](NCc3onc(C)c3[N+](=O)[O-])CC[N@@H+]2C2CC2)c1 ZINC000595475920 520494593 /nfs/dbraw/zinc/49/45/93/520494593.db2.gz KHWVSAUAHBYGFZ-APWZRJJASA-N 1 2 372.425 2.967 20 5 FFBDLO COc1cccc([C@H]2[C@H](NCc3onc(C)c3[N+](=O)[O-])CC[N@H+]2C2CC2)c1 ZINC000595475920 520494598 /nfs/dbraw/zinc/49/45/98/520494598.db2.gz KHWVSAUAHBYGFZ-APWZRJJASA-N 1 2 372.425 2.967 20 5 FFBDLO O=C1NCCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H]1Cc1ccccc1 ZINC000595504482 520514658 /nfs/dbraw/zinc/51/46/58/520514658.db2.gz DIVLCQOORZGGIL-SFHVURJKSA-N 1 2 357.385 2.667 20 5 FFBDLO O=C1NCCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H]1Cc1ccccc1 ZINC000595504482 520514662 /nfs/dbraw/zinc/51/46/62/520514662.db2.gz DIVLCQOORZGGIL-SFHVURJKSA-N 1 2 357.385 2.667 20 5 FFBDLO COC(=O)C1([N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C2CC2)CCC1 ZINC000595539074 520536808 /nfs/dbraw/zinc/53/68/08/520536808.db2.gz YDDJYHHTKGFJIV-UHFFFAOYSA-N 1 2 364.398 2.542 20 5 FFBDLO COC(=O)C1([N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C2CC2)CCC1 ZINC000595539074 520536814 /nfs/dbraw/zinc/53/68/14/520536814.db2.gz YDDJYHHTKGFJIV-UHFFFAOYSA-N 1 2 364.398 2.542 20 5 FFBDLO C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC2(CCCC2)O1 ZINC000592734588 520550633 /nfs/dbraw/zinc/55/06/33/520550633.db2.gz LBIJXSBJPUKNCS-AWEZNQCLSA-N 1 2 370.409 2.954 20 5 FFBDLO C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1[nH+]ccn1C ZINC000595589863 520574754 /nfs/dbraw/zinc/57/47/54/520574754.db2.gz HBYSYEHEAVKOJJ-SECBINFHSA-N 1 2 371.319 2.908 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cscn2)c([N+](=O)[O-])c1 ZINC000595666808 520632911 /nfs/dbraw/zinc/63/29/11/520632911.db2.gz CSNKSKPSCRRTCB-ZJUUUORDSA-N 1 2 350.400 2.738 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000610453707 520695636 /nfs/dbraw/zinc/69/56/36/520695636.db2.gz QGOOAEQTGXATTO-UHFFFAOYSA-N 1 2 369.381 2.924 20 5 FFBDLO Cc1cccn2cc(CCNC(=O)N(C)Cc3ccccc3[N+](=O)[O-])[nH+]c12 ZINC000610461843 520700527 /nfs/dbraw/zinc/70/05/27/520700527.db2.gz LJSYRUCNTHOZLN-UHFFFAOYSA-N 1 2 367.409 2.935 20 5 FFBDLO COc1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000595759730 520703198 /nfs/dbraw/zinc/70/31/98/520703198.db2.gz OXLSMGHPFXXBOE-ZDUSSCGKSA-N 1 2 355.394 2.989 20 5 FFBDLO COc1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000595759730 520703204 /nfs/dbraw/zinc/70/32/04/520703204.db2.gz OXLSMGHPFXXBOE-ZDUSSCGKSA-N 1 2 355.394 2.989 20 5 FFBDLO COc1cc(C[NH+]2CCN(c3ccsc3[N+](=O)[O-])CC2)cc(OC)c1 ZINC000610480094 520709030 /nfs/dbraw/zinc/70/90/30/520709030.db2.gz KVHJITFLOYDKET-UHFFFAOYSA-N 1 2 363.439 2.996 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCn2c(CC3CC3)nnc2C1 ZINC000593058988 520715331 /nfs/dbraw/zinc/71/53/31/520715331.db2.gz QDIKVSAHXJKIEU-UHFFFAOYSA-N 1 2 371.441 2.942 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCn2c(CC3CC3)nnc2C1 ZINC000593058988 520715339 /nfs/dbraw/zinc/71/53/39/520715339.db2.gz QDIKVSAHXJKIEU-UHFFFAOYSA-N 1 2 371.441 2.942 20 5 FFBDLO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000613913640 520725010 /nfs/dbraw/zinc/72/50/10/520725010.db2.gz SCKUCTUIZXBKLF-MRXNPFEDSA-N 1 2 369.421 2.942 20 5 FFBDLO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000613913640 520725016 /nfs/dbraw/zinc/72/50/16/520725016.db2.gz SCKUCTUIZXBKLF-MRXNPFEDSA-N 1 2 369.421 2.942 20 5 FFBDLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595789524 520727843 /nfs/dbraw/zinc/72/78/43/520727843.db2.gz XKRQCXVZPUFAJK-QMTHXVAHSA-N 1 2 361.320 2.575 20 5 FFBDLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595789524 520727849 /nfs/dbraw/zinc/72/78/49/520727849.db2.gz XKRQCXVZPUFAJK-QMTHXVAHSA-N 1 2 361.320 2.575 20 5 FFBDLO C[C@@H](CO)C1CC[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000593085311 520732693 /nfs/dbraw/zinc/73/26/93/520732693.db2.gz UOHQDTLOLMZFQZ-NSHDSACASA-N 1 2 355.822 2.527 20 5 FFBDLO Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)c1[N+](=O)[O-] ZINC000598607335 520739655 /nfs/dbraw/zinc/73/96/55/520739655.db2.gz JKHDFDOGCDTEEZ-CYBMUJFWSA-N 1 2 364.427 2.503 20 5 FFBDLO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)ccc1[N+](=O)[O-] ZINC000601726653 520921897 /nfs/dbraw/zinc/92/18/97/520921897.db2.gz DUOHNRVFZWWNTR-UHFFFAOYSA-N 1 2 355.394 2.567 20 5 FFBDLO CC(C)c1ncc2c(n1)CC[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 ZINC000598937336 520931403 /nfs/dbraw/zinc/93/14/03/520931403.db2.gz NKQHHGIBIYUSRG-UHFFFAOYSA-N 1 2 352.398 2.943 20 5 FFBDLO CC(C)c1ncc2c(n1)CC[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 ZINC000598937336 520931415 /nfs/dbraw/zinc/93/14/15/520931415.db2.gz NKQHHGIBIYUSRG-UHFFFAOYSA-N 1 2 352.398 2.943 20 5 FFBDLO CN1c2ccccc2C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000598948856 520936772 /nfs/dbraw/zinc/93/67/72/520936772.db2.gz VPEJIVFPNZCHHQ-UHFFFAOYSA-N 1 2 355.394 2.842 20 5 FFBDLO CN1c2ccccc2C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000598948856 520936779 /nfs/dbraw/zinc/93/67/79/520936779.db2.gz VPEJIVFPNZCHHQ-UHFFFAOYSA-N 1 2 355.394 2.842 20 5 FFBDLO NC(=O)c1cc(N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000596232179 520984674 /nfs/dbraw/zinc/98/46/74/520984674.db2.gz QVRYOHOXDOCUTB-JOCQHMNTSA-N 1 2 355.398 2.924 20 5 FFBDLO COc1ccc(C[N@@H+]2CCN(C(C)=O)C3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC000611225004 521046369 /nfs/dbraw/zinc/04/63/69/521046369.db2.gz ATAGGJAKOQMPHY-UHFFFAOYSA-N 1 2 361.442 2.970 20 5 FFBDLO COc1ccc(C[N@H+]2CCN(C(C)=O)C3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC000611225004 521046378 /nfs/dbraw/zinc/04/63/78/521046378.db2.gz ATAGGJAKOQMPHY-UHFFFAOYSA-N 1 2 361.442 2.970 20 5 FFBDLO O=C(N1CCCCC1)N1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000611253448 521059424 /nfs/dbraw/zinc/05/94/24/521059424.db2.gz GWIATSZWHAKUKO-VURMDHGXSA-N 1 2 358.442 2.832 20 5 FFBDLO O=[N+]([O-])c1ccsc1NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000611289988 521083319 /nfs/dbraw/zinc/08/33/19/521083319.db2.gz OGRFSRAELOUZLO-UHFFFAOYSA-N 1 2 363.439 2.979 20 5 FFBDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](C)O1 ZINC000593678399 521150339 /nfs/dbraw/zinc/15/03/39/521150339.db2.gz LMMFZBWZHSJMJV-SJCJKPOMSA-N 1 2 360.366 2.617 20 5 FFBDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](C)O1 ZINC000593678399 521150345 /nfs/dbraw/zinc/15/03/45/521150345.db2.gz LMMFZBWZHSJMJV-SJCJKPOMSA-N 1 2 360.366 2.617 20 5 FFBDLO Cc1c(CNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000602148624 521172932 /nfs/dbraw/zinc/17/29/32/521172932.db2.gz OOJXPKXGRIDFKP-CYBMUJFWSA-N 1 2 356.304 2.910 20 5 FFBDLO CC(C)c1ccc(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000615220774 521320132 /nfs/dbraw/zinc/32/01/32/521320132.db2.gz VUXKQZYZVWXHIM-MRXNPFEDSA-N 1 2 361.442 2.655 20 5 FFBDLO COC(=O)[C@](C)(NCc1cn2cc(C)ccc2[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000599642917 521354159 /nfs/dbraw/zinc/35/41/59/521354159.db2.gz KYPOUEJOZOKOEY-LJQANCHMSA-N 1 2 368.393 2.729 20 5 FFBDLO COC(=O)[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]2CCC[C@@H]21 ZINC000599655051 521366265 /nfs/dbraw/zinc/36/62/65/521366265.db2.gz OAXAHCDEQNHEMD-IOASZLSFSA-N 1 2 358.398 2.635 20 5 FFBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]2CCC[C@@H]21 ZINC000599655051 521366275 /nfs/dbraw/zinc/36/62/75/521366275.db2.gz OAXAHCDEQNHEMD-IOASZLSFSA-N 1 2 358.398 2.635 20 5 FFBDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)Cc2ccccc21 ZINC000599666258 521378289 /nfs/dbraw/zinc/37/82/89/521378289.db2.gz MSBUXZQYOUHEGX-MRXNPFEDSA-N 1 2 356.378 2.876 20 5 FFBDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)Cc2ccccc21 ZINC000599666258 521378296 /nfs/dbraw/zinc/37/82/96/521378296.db2.gz MSBUXZQYOUHEGX-MRXNPFEDSA-N 1 2 356.378 2.876 20 5 FFBDLO O=[N+]([O-])c1sc(C[NH2+][C@@H]2CCc3cn[nH]c3C2)cc1Br ZINC000602569540 521415743 /nfs/dbraw/zinc/41/57/43/521415743.db2.gz SXTLQMGGWGWQQC-MRVPVSSYSA-N 1 2 357.233 2.789 20 5 FFBDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)CC2 ZINC000599706924 521418511 /nfs/dbraw/zinc/41/85/11/521418511.db2.gz AKLSUSGHNANSJI-CQSZACIVSA-N 1 2 354.410 2.853 20 5 FFBDLO CN(C)C(=O)C1CC[NH+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CC1 ZINC000111786416 728538244 /nfs/dbraw/zinc/53/82/44/728538244.db2.gz LZYUSRPYSABCMH-UHFFFAOYSA-N 1 2 364.427 2.630 20 5 FFBDLO CC(C)CO[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000120062217 728604969 /nfs/dbraw/zinc/60/49/69/728604969.db2.gz UOEVZMVLCPGSSC-CYBMUJFWSA-N 1 2 355.822 2.934 20 5 FFBDLO CC(C)CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000120062217 728604970 /nfs/dbraw/zinc/60/49/70/728604970.db2.gz UOEVZMVLCPGSSC-CYBMUJFWSA-N 1 2 355.822 2.934 20 5 FFBDLO C[C@H]([NH2+]Cc1cccc(S(C)(=O)=O)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872075294 731727318 /nfs/dbraw/zinc/72/73/18/731727318.db2.gz BZQWRIZPMQSDNF-NSHDSACASA-N 1 2 352.387 2.988 20 5 FFBDLO NC(=O)Cc1cccc2c1CC[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000877679287 732412276 /nfs/dbraw/zinc/41/22/76/732412276.db2.gz BJVDNJADNLKQLL-UHFFFAOYSA-N 1 2 359.813 2.834 20 5 FFBDLO NC(=O)Cc1cccc2c1CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000877679287 732412278 /nfs/dbraw/zinc/41/22/78/732412278.db2.gz BJVDNJADNLKQLL-UHFFFAOYSA-N 1 2 359.813 2.834 20 5 FFBDLO C[N@H+](Cc1cccnc1[N+](=O)[O-])C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000886233913 733763621 /nfs/dbraw/zinc/76/36/21/733763621.db2.gz BCZXJNWOGKHZON-UHFFFAOYSA-N 1 2 350.419 2.869 20 5 FFBDLO C[N@@H+](Cc1cccnc1[N+](=O)[O-])C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000886233913 733763624 /nfs/dbraw/zinc/76/36/24/733763624.db2.gz BCZXJNWOGKHZON-UHFFFAOYSA-N 1 2 350.419 2.869 20 5 FFBDLO COc1cc([N+](=O)[O-])c(C(=O)OCCCn2cc[nH+]c2)cc1SC ZINC000783460949 738807319 /nfs/dbraw/zinc/80/73/19/738807319.db2.gz LDUVPEBJWPVRQX-UHFFFAOYSA-N 1 2 351.384 2.769 20 5 FFBDLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000741146882 735120255 /nfs/dbraw/zinc/12/02/55/735120255.db2.gz DQIVTUYVZIVQTD-ZDUSSCGKSA-N 1 2 369.805 2.604 20 5 FFBDLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000741146882 735120258 /nfs/dbraw/zinc/12/02/58/735120258.db2.gz DQIVTUYVZIVQTD-ZDUSSCGKSA-N 1 2 369.805 2.604 20 5 FFBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900133893 735605107 /nfs/dbraw/zinc/60/51/07/735605107.db2.gz AVGMDAPLJWECRZ-UHFFFAOYSA-N 1 2 366.780 2.893 20 5 FFBDLO C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1cccc(NS(C)(=O)=O)c1 ZINC000753910914 736105752 /nfs/dbraw/zinc/10/57/52/736105752.db2.gz MCZAICLHZPCNNG-LLVKDONJSA-N 1 2 367.402 2.956 20 5 FFBDLO CS(=O)(=O)c1cccc([C@@H]([NH2+]CC[N+](=O)[O-])c2ccc(Cl)cc2)c1 ZINC000905133263 736301029 /nfs/dbraw/zinc/30/10/29/736301029.db2.gz GDHCVPALVGCNCU-INIZCTEOSA-N 1 2 368.842 2.699 20 5 FFBDLO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000757259080 736399303 /nfs/dbraw/zinc/39/93/03/736399303.db2.gz CNVIWIBMKUDHTP-CQSZACIVSA-N 1 2 363.805 2.991 20 5 FFBDLO Cc1nn(C[N@@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000760409381 736636975 /nfs/dbraw/zinc/63/69/75/736636975.db2.gz SLRNCQIGJKBBLK-CQSZACIVSA-N 1 2 352.435 2.809 20 5 FFBDLO Cc1nn(C[N@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000760409381 736636979 /nfs/dbraw/zinc/63/69/79/736636979.db2.gz SLRNCQIGJKBBLK-CQSZACIVSA-N 1 2 352.435 2.809 20 5 FFBDLO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000776811997 738235537 /nfs/dbraw/zinc/23/55/37/738235537.db2.gz QKSCILKNCRFSCF-QWHCGFSZSA-N 1 2 351.403 2.647 20 5 FFBDLO Cc1nn(C[NH+]2CCC3(CC2)OCCc2ccsc23)c(C)c1[N+](=O)[O-] ZINC000778576794 738395587 /nfs/dbraw/zinc/39/55/87/738395587.db2.gz BHPXRIPGONCNGN-UHFFFAOYSA-N 1 2 362.455 2.991 20 5 FFBDLO C[C@H](C[NH+]1CCOCC1)N(C)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000789763660 739385543 /nfs/dbraw/zinc/38/55/43/739385543.db2.gz OTDWVCRKIPEDPR-GFCCVEGCSA-N 1 2 372.263 2.510 20 5 FFBDLO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N(C)CCCn1cc[nH+]c1 ZINC000790270332 739431184 /nfs/dbraw/zinc/43/11/84/739431184.db2.gz JKECQPLNAZKREX-UHFFFAOYSA-N 1 2 352.778 2.758 20 5 FFBDLO Nc1cc(COC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc[nH+]1 ZINC000791912035 739615898 /nfs/dbraw/zinc/61/58/98/739615898.db2.gz MBQYLTLYVAWCSI-UHFFFAOYSA-N 1 2 351.746 2.738 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](Cc2nccs2)C1 ZINC000934334283 739767811 /nfs/dbraw/zinc/76/78/11/739767811.db2.gz UBMOPQWJVTXYOL-CYBMUJFWSA-N 1 2 360.439 2.863 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](Cc2nccs2)C1 ZINC000934334283 739767815 /nfs/dbraw/zinc/76/78/15/739767815.db2.gz UBMOPQWJVTXYOL-CYBMUJFWSA-N 1 2 360.439 2.863 20 5 FFBDLO COCCO[C@H]1CCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000802652324 740715409 /nfs/dbraw/zinc/71/54/09/740715409.db2.gz DINASIRMXUYQTL-LBPRGKRZSA-N 1 2 373.247 2.985 20 5 FFBDLO COCCO[C@H]1CCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000802652324 740715410 /nfs/dbraw/zinc/71/54/10/740715410.db2.gz DINASIRMXUYQTL-LBPRGKRZSA-N 1 2 373.247 2.985 20 5 FFBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000806252840 741047784 /nfs/dbraw/zinc/04/77/84/741047784.db2.gz KXCLXSZNDCRCDF-YPMHNXCESA-N 1 2 368.821 2.575 20 5 FFBDLO C[C@@H]([NH2+][C@H](C)c1ccn(C)n1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000839195790 746799613 /nfs/dbraw/zinc/79/96/13/746799613.db2.gz HHNYSRBYRUSPKG-NXEZZACHSA-N 1 2 351.794 2.660 20 5 FFBDLO C[N@H+](CCc1cccs1)CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840015132 746979746 /nfs/dbraw/zinc/97/97/46/746979746.db2.gz MDONSYCSAFRKSA-QGZVFWFLSA-N 1 2 361.423 2.726 20 5 FFBDLO C[N@@H+](CCc1cccs1)CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840015132 746979749 /nfs/dbraw/zinc/97/97/49/746979749.db2.gz MDONSYCSAFRKSA-QGZVFWFLSA-N 1 2 361.423 2.726 20 5 FFBDLO C[C@@]12C[N@H+](Cn3cc(Br)c([N+](=O)[O-])n3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000840115348 747006662 /nfs/dbraw/zinc/00/66/62/747006662.db2.gz KQEPBWSYWACQBW-ZHPDPMBESA-N 1 2 353.220 2.655 20 5 FFBDLO C[C@@]12C[N@@H+](Cn3cc(Br)c([N+](=O)[O-])n3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000840115348 747006666 /nfs/dbraw/zinc/00/66/66/747006666.db2.gz KQEPBWSYWACQBW-ZHPDPMBESA-N 1 2 353.220 2.655 20 5 FFBDLO Cc1nn(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000840165637 747024782 /nfs/dbraw/zinc/02/47/82/747024782.db2.gz XNKMGPMXRNZGIH-CYBMUJFWSA-N 1 2 362.352 2.738 20 5 FFBDLO Cc1nn(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000840165637 747024790 /nfs/dbraw/zinc/02/47/90/747024790.db2.gz XNKMGPMXRNZGIH-CYBMUJFWSA-N 1 2 362.352 2.738 20 5 FFBDLO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845129019 748186667 /nfs/dbraw/zinc/18/66/67/748186667.db2.gz POPFGFTXNJYVKP-UHFFFAOYSA-N 1 2 362.817 2.982 20 5 FFBDLO C[C@H]([NH2+]Cc1cccc(N2CCOCC2)n1)c1c(F)cccc1[N+](=O)[O-] ZINC000872062925 1013138188 /nfs/dbraw/zinc/13/81/88/1013138188.db2.gz MACQVZYEIDYUJZ-ZDUSSCGKSA-N 1 2 360.389 2.816 20 5 FFBDLO O=C(OCCCc1ccncc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000049959613 962329110 /nfs/dbraw/zinc/32/91/10/962329110.db2.gz SAERKGCXCAWJCC-UHFFFAOYSA-N 1 2 352.350 2.965 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H](O)c3ccc(F)cc3F)CC2)cc1 ZINC000051093546 963983494 /nfs/dbraw/zinc/98/34/94/963983494.db2.gz LSHMTIKJXPPTED-GOSISDBHSA-N 1 2 363.364 2.729 20 5 FFBDLO CC(C)(C)OCCC[NH+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC001175734779 1013547376 /nfs/dbraw/zinc/54/73/76/1013547376.db2.gz ZDDYJDICRXRAEZ-UHFFFAOYSA-N 1 2 351.447 2.623 20 5 FFBDLO Nc1cc(CNc2c3ccc(Br)cc3ncc2[N+](=O)[O-])cc[nH+]1 ZINC001167617446 966983436 /nfs/dbraw/zinc/98/34/36/966983436.db2.gz NFUMMZYTTMTNQH-UHFFFAOYSA-N 1 2 374.198 2.917 20 5 FFBDLO Cc1nn(C[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)c2ncc([N+](=O)[O-])cc12 ZINC000876498635 1014286439 /nfs/dbraw/zinc/28/64/39/1014286439.db2.gz GLRHSGLJEYFMTI-IRXDYDNUSA-N 1 2 364.409 2.569 20 5 FFBDLO Cc1nn(C[N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)c2ncc([N+](=O)[O-])cc12 ZINC000876498635 1014286448 /nfs/dbraw/zinc/28/64/48/1014286448.db2.gz GLRHSGLJEYFMTI-IRXDYDNUSA-N 1 2 364.409 2.569 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000898392893 976414986 /nfs/dbraw/zinc/41/49/86/976414986.db2.gz XHUBFYAHNUIJJX-CEXWTWQISA-N 1 2 364.405 2.666 20 5 FFBDLO COc1c(O)ccc(C[N@H+]2Cc3ncccc3N3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000898165986 982631915 /nfs/dbraw/zinc/63/19/15/982631915.db2.gz VLTRWNUEKLPEEC-AWEZNQCLSA-N 1 2 370.409 2.689 20 5 FFBDLO COc1c(O)ccc(C[N@@H+]2Cc3ncccc3N3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000898165986 982631921 /nfs/dbraw/zinc/63/19/21/982631921.db2.gz VLTRWNUEKLPEEC-AWEZNQCLSA-N 1 2 370.409 2.689 20 5 FFBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000055796799 984384739 /nfs/dbraw/zinc/38/47/39/984384739.db2.gz GXYOHMGVXJJRPB-UHFFFAOYSA-N 1 2 367.321 2.619 20 5 FFBDLO CNc1c(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cccc1[N+](=O)[O-] ZINC000765416696 985078705 /nfs/dbraw/zinc/07/87/05/985078705.db2.gz LQERSCBRUIVNMM-UHFFFAOYSA-N 1 2 351.366 2.752 20 5 FFBDLO Cc1ccccc1OCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000170975144 985190336 /nfs/dbraw/zinc/19/03/36/985190336.db2.gz HOOVLCFVCAWYEE-UHFFFAOYSA-N 1 2 369.421 2.740 20 5 FFBDLO Cc1nn(C[N@H+]2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000173452368 985832713 /nfs/dbraw/zinc/83/27/13/985832713.db2.gz PLQDNFZOEVVOOD-CQSZACIVSA-N 1 2 367.450 2.697 20 5 FFBDLO Cc1nn(C[N@@H+]2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000173452368 985832730 /nfs/dbraw/zinc/83/27/30/985832730.db2.gz PLQDNFZOEVVOOD-CQSZACIVSA-N 1 2 367.450 2.697 20 5 FFBDLO O=[N+]([O-])c1cc(-c2nc(COCC(F)(F)F)no2)ccc1-n1cc[nH+]c1 ZINC000761463751 986703297 /nfs/dbraw/zinc/70/32/97/986703297.db2.gz PDAOXQSXGUBQHY-UHFFFAOYSA-N 1 2 369.259 2.909 20 5 FFBDLO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCCc1cn2ccccc2[nH+]1 ZINC000917037655 990103221 /nfs/dbraw/zinc/10/32/21/990103221.db2.gz FZCVVMSMDZMZSZ-UHFFFAOYSA-N 1 2 365.393 2.789 20 5 FFBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000921147829 990997043 /nfs/dbraw/zinc/99/70/43/990997043.db2.gz WJOUSERCKRLSQN-UHFFFAOYSA-N 1 2 365.393 2.777 20 5 FFBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000733992277 999168257 /nfs/dbraw/zinc/16/82/57/999168257.db2.gz NWQUSQSKEODPDF-LJQANCHMSA-N 1 2 355.394 2.971 20 5 FFBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000733992277 999168260 /nfs/dbraw/zinc/16/82/60/999168260.db2.gz NWQUSQSKEODPDF-LJQANCHMSA-N 1 2 355.394 2.971 20 5 FFBDLO O=C(Cn1cc[nH+]c1)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000746106479 999949353 /nfs/dbraw/zinc/94/93/53/999949353.db2.gz MCDFEPXWCFDSJR-UHFFFAOYSA-N 1 2 366.333 2.649 20 5 FFBDLO Cc1nn(C[N@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)c(C)c1[N+](=O)[O-] ZINC000770670025 1000872049 /nfs/dbraw/zinc/87/20/49/1000872049.db2.gz HDKLKWZTELTMLD-UHFFFAOYSA-N 1 2 370.409 2.926 20 5 FFBDLO Cc1nn(C[N@@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)c(C)c1[N+](=O)[O-] ZINC000770670025 1000872052 /nfs/dbraw/zinc/87/20/52/1000872052.db2.gz HDKLKWZTELTMLD-UHFFFAOYSA-N 1 2 370.409 2.926 20 5 FFBDLO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)OCCn2cc[nH+]c2)CC1 ZINC000771848767 1001231213 /nfs/dbraw/zinc/23/12/13/1001231213.db2.gz CTIOJWIBUJJIMG-UHFFFAOYSA-N 1 2 358.398 2.885 20 5 FFBDLO O=C(COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000785675877 1001466346 /nfs/dbraw/zinc/46/63/46/1001466346.db2.gz NUYZBAPYACYCRP-UHFFFAOYSA-N 1 2 365.345 2.749 20 5 FFBDLO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N(CC)CCn1cc[nH+]c1 ZINC001157460592 1002151477 /nfs/dbraw/zinc/15/14/77/1002151477.db2.gz WYJOCBFRWZGVPW-UHFFFAOYSA-N 1 2 367.793 2.543 20 5 FFBDLO CC(C)[C@H]1CCN(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000853498460 1006415344 /nfs/dbraw/zinc/41/53/44/1006415344.db2.gz BOTGARXPTJMATJ-GOSISDBHSA-N 1 2 361.442 2.900 20 5 FFBDLO Nc1ccc(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000212405589 1006440196 /nfs/dbraw/zinc/44/01/96/1006440196.db2.gz JGELWKVIKYNMSM-DAXSKMNVSA-N 1 2 366.421 2.648 20 5 FFBDLO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000853912822 1006581892 /nfs/dbraw/zinc/58/18/92/1006581892.db2.gz TUPOVXLNCWWDSJ-QZTJIDSGSA-N 1 2 359.426 2.853 20 5 FFBDLO Cn1c2ccccc2cc(C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1=O ZINC001206194324 1032181077 /nfs/dbraw/zinc/18/10/77/1032181077.db2.gz DJJUGKWWKHGTQL-UHFFFAOYSA-N 1 2 365.389 2.710 20 5 FFBDLO CC(C)(C)c1ncc2c(n1)CC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000859443202 1008514805 /nfs/dbraw/zinc/51/48/05/1008514805.db2.gz ZTHAJMIOFHRQSQ-QGZVFWFLSA-N 1 2 356.426 2.774 20 5 FFBDLO CC(C)(C)c1ncc2c(n1)CC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000859443202 1008514806 /nfs/dbraw/zinc/51/48/06/1008514806.db2.gz ZTHAJMIOFHRQSQ-QGZVFWFLSA-N 1 2 356.426 2.774 20 5 FFBDLO COC(=O)c1ccc(F)c2c1C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000859526406 1008544783 /nfs/dbraw/zinc/54/47/83/1008544783.db2.gz SOJTWPRIRKPHLU-SFHVURJKSA-N 1 2 374.368 2.612 20 5 FFBDLO COC(=O)c1ccc(F)c2c1C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000859526406 1008544792 /nfs/dbraw/zinc/54/47/92/1008544792.db2.gz SOJTWPRIRKPHLU-SFHVURJKSA-N 1 2 374.368 2.612 20 5 FFBDLO O=[N+]([O-])c1ccc2oc(C[NH2+]Cc3cnc(C(F)(F)F)nc3)nc2c1 ZINC001206637013 1032371684 /nfs/dbraw/zinc/37/16/84/1032371684.db2.gz UNBKWSPCCPTQFD-UHFFFAOYSA-N 1 2 353.260 2.835 20 5 FFBDLO O=C(C[N@@H+]1CCC[C@@H]1c1ccncc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000125512404 1009197304 /nfs/dbraw/zinc/19/73/04/1009197304.db2.gz JHCAYFBFSXEVOG-QGZVFWFLSA-N 1 2 352.394 2.716 20 5 FFBDLO O=C(C[N@H+]1CCC[C@@H]1c1ccncc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000125512404 1009197318 /nfs/dbraw/zinc/19/73/18/1009197318.db2.gz JHCAYFBFSXEVOG-QGZVFWFLSA-N 1 2 352.394 2.716 20 5 FFBDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cc([N+](=O)[O-])ccc2F)cc1 ZINC000862753040 1009956835 /nfs/dbraw/zinc/95/68/35/1009956835.db2.gz ATCBSWJXAYCZKA-HNNXBMFYSA-N 1 2 373.384 2.747 20 5 FFBDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cc([N+](=O)[O-])ccc2F)cc1 ZINC000862753040 1009956844 /nfs/dbraw/zinc/95/68/44/1009956844.db2.gz ATCBSWJXAYCZKA-HNNXBMFYSA-N 1 2 373.384 2.747 20 5 FFBDLO O=C(OCc1cccc(C[NH+]2CCOCC2)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000869896896 1012005498 /nfs/dbraw/zinc/00/54/98/1012005498.db2.gz JGJQLLRIXBDKOX-UHFFFAOYSA-N 1 2 374.368 2.923 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1Oc3ccc(CCO)cc3O1)CC2 ZINC001172907173 1012076959 /nfs/dbraw/zinc/07/69/59/1012076959.db2.gz QCBJNTHBOCJBSG-OXJNMPFZSA-N 1 2 370.405 2.722 20 5 FFBDLO CCC(CC)([NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C(=O)OC ZINC001173184435 1012328133 /nfs/dbraw/zinc/32/81/33/1012328133.db2.gz NFAAHPPIBDEJBS-LLVKDONJSA-N 1 2 356.394 2.995 20 5 FFBDLO COc1ccc(CC(=O)N2CCC(Nc3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000927093122 1018357747 /nfs/dbraw/zinc/35/77/47/1018357747.db2.gz HWYQBXLUOUJETH-UHFFFAOYSA-N 1 2 370.409 2.644 20 5 FFBDLO Cc1ccccc1[C@@H]1CC[N@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000725780974 1020257460 /nfs/dbraw/zinc/25/74/60/1020257460.db2.gz WWYSPTUYWOXVCJ-CQSZACIVSA-N 1 2 365.389 2.946 20 5 FFBDLO Cc1ccccc1[C@@H]1CC[N@@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000725780974 1020257468 /nfs/dbraw/zinc/25/74/68/1020257468.db2.gz WWYSPTUYWOXVCJ-CQSZACIVSA-N 1 2 365.389 2.946 20 5 FFBDLO CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2CC[NH2+]CC2(F)F)c1 ZINC001218013152 1032952564 /nfs/dbraw/zinc/95/25/64/1032952564.db2.gz ZDSNDLMNUSJTTI-CYBMUJFWSA-N 1 2 358.341 2.926 20 5 FFBDLO C[NH2+][C@H]1CC[C@H](Oc2[nH]c(=O)nc3nc4cc(C)c(C)cc4nc32)CC1 ZINC001218188540 1033039494 /nfs/dbraw/zinc/03/94/94/1033039494.db2.gz VTGNRCVBXNADNH-JOCQHMNTSA-N 1 2 353.426 2.805 20 5 FFBDLO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000753820461 1023385436 /nfs/dbraw/zinc/38/54/36/1023385436.db2.gz NRWWFAMKVAHTQW-AWEZNQCLSA-N 1 2 367.409 2.573 20 5 FFBDLO O=C(COc1cccc([N+](=O)[O-])c1)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000754491328 1023476389 /nfs/dbraw/zinc/47/63/89/1023476389.db2.gz JVSGSFNWVYIQLY-UHFFFAOYSA-N 1 2 353.334 2.903 20 5 FFBDLO COC(=O)c1cc(NC(=O)c2cccc3[nH+]ccn32)c(C)c([N+](=O)[O-])c1 ZINC000754616845 1023494849 /nfs/dbraw/zinc/49/48/49/1023494849.db2.gz ZMEDVZZSIRFDAC-UHFFFAOYSA-N 1 2 354.322 2.590 20 5 FFBDLO COc1cc(C(=O)N2CCC(c3c[nH+]cn3C)CC2)cc([N+](=O)[O-])c1C ZINC001121217016 1023655079 /nfs/dbraw/zinc/65/50/79/1023655079.db2.gz NZNJPODEYFOKSR-UHFFFAOYSA-N 1 2 358.398 2.665 20 5 FFBDLO CC(C)(COC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC001123153689 1023658782 /nfs/dbraw/zinc/65/87/82/1023658782.db2.gz INBFSRXCKMHYCI-UHFFFAOYSA-N 1 2 355.297 2.985 20 5 FFBDLO C[C@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN1C(=O)OC(C)(C)C ZINC000246247041 1025907446 /nfs/dbraw/zinc/90/74/46/1025907446.db2.gz ITJMZRVHNQUKGK-XJKSGUPXSA-N 1 2 365.430 2.569 20 5 FFBDLO C[C@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN1C(=O)OC(C)(C)C ZINC000246247041 1025907463 /nfs/dbraw/zinc/90/74/63/1025907463.db2.gz ITJMZRVHNQUKGK-XJKSGUPXSA-N 1 2 365.430 2.569 20 5 FFBDLO O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839534117 1026719068 /nfs/dbraw/zinc/71/90/68/1026719068.db2.gz CQKWBDSCPZZJQH-BRWVUGGUSA-N 1 2 371.462 2.629 20 5 FFBDLO O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839534117 1026719082 /nfs/dbraw/zinc/71/90/82/1026719082.db2.gz CQKWBDSCPZZJQH-BRWVUGGUSA-N 1 2 371.462 2.629 20 5 FFBDLO COC(=O)[C@@H](Cc1c[nH+]cn1C)Nc1ccc2ccc3cccnc3c2n1 ZINC001160691259 1027806207 /nfs/dbraw/zinc/80/62/07/1027806207.db2.gz PGTXRKATBMFQCU-MRXNPFEDSA-N 1 2 361.405 2.713 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@](C)(O)c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000780764739 1028802975 /nfs/dbraw/zinc/80/29/75/1028802975.db2.gz PROUHYZWULXYIA-AEFFLSMTSA-N 1 2 372.450 2.977 20 5 FFBDLO CC[C@@H](C[NH+]1CCOCC1)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC001164177706 1029190901 /nfs/dbraw/zinc/19/09/01/1029190901.db2.gz WJGUCUPLYQIARP-LBPRGKRZSA-N 1 2 358.236 2.880 20 5 FFBDLO Cc1cccc([C@@H]2CC[N@H+](CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C2)c1 ZINC000784024268 1030423935 /nfs/dbraw/zinc/42/39/35/1030423935.db2.gz DOFCVJWFVNTAEY-OAHLLOKOSA-N 1 2 365.389 2.946 20 5 FFBDLO Cc1cccc([C@@H]2CC[N@@H+](CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C2)c1 ZINC000784024268 1030423939 /nfs/dbraw/zinc/42/39/39/1030423939.db2.gz DOFCVJWFVNTAEY-OAHLLOKOSA-N 1 2 365.389 2.946 20 5 FFBDLO O=C1N(C[N@@H+]2CC[C@@H](c3ccccn3)C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000799157763 1031673764 /nfs/dbraw/zinc/67/37/64/1031673764.db2.gz BCVJBWFUITYGQJ-OAHLLOKOSA-N 1 2 367.409 2.679 20 5 FFBDLO O=C1N(C[N@H+]2CC[C@@H](c3ccccn3)C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000799157763 1031673771 /nfs/dbraw/zinc/67/37/71/1031673771.db2.gz BCVJBWFUITYGQJ-OAHLLOKOSA-N 1 2 367.409 2.679 20 5 FFBDLO Cc1nn(C[N@@H+]2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000799581550 1031822265 /nfs/dbraw/zinc/82/22/65/1031822265.db2.gz BUQSLANRNFEVSC-CQSZACIVSA-N 1 2 367.450 2.684 20 5 FFBDLO Cc1nn(C[N@H+]2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000799581550 1031822277 /nfs/dbraw/zinc/82/22/77/1031822277.db2.gz BUQSLANRNFEVSC-CQSZACIVSA-N 1 2 367.450 2.684 20 5 FFBDLO C[C@@H]1COCC[C@@H]1c1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000799675695 1031856419 /nfs/dbraw/zinc/85/64/19/1031856419.db2.gz NAADWASOBCFGBM-YPMHNXCESA-N 1 2 355.354 2.971 20 5 FFBDLO CN1CC[NH+](CCO[C@H](c2ccccc2)c2ccccc2[N+](=O)[O-])CC1 ZINC001224548563 1033925928 /nfs/dbraw/zinc/92/59/28/1033925928.db2.gz CQTHFNZIFYVKOW-HXUWFJFHSA-N 1 2 355.438 2.948 20 5 FFBDLO Cc1cc(O[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ncc1[N+](=O)[O-] ZINC001225660537 1034355566 /nfs/dbraw/zinc/35/55/66/1034355566.db2.gz DYFRLXQFZLXAKI-QAPCUYQASA-N 1 2 357.410 2.967 20 5 FFBDLO Cc1cc(O[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ncc1[N+](=O)[O-] ZINC001225660537 1034355572 /nfs/dbraw/zinc/35/55/72/1034355572.db2.gz DYFRLXQFZLXAKI-QAPCUYQASA-N 1 2 357.410 2.967 20 5 FFBDLO O=c1nc2ccc([N+](=O)[O-])cc2c(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH]1 ZINC001227093992 1034934040 /nfs/dbraw/zinc/93/40/40/1034934040.db2.gz WZJOMTMVYKCPGY-OAHLLOKOSA-N 1 2 366.377 2.897 20 5 FFBDLO O=c1nc2ccc([N+](=O)[O-])cc2c(O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH]1 ZINC001227093992 1034934046 /nfs/dbraw/zinc/93/40/46/1034934046.db2.gz WZJOMTMVYKCPGY-OAHLLOKOSA-N 1 2 366.377 2.897 20 5 FFBDLO Cc1ccc(O[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])n1 ZINC001227221830 1034974130 /nfs/dbraw/zinc/97/41/30/1034974130.db2.gz DLQLMDXWZSZFMR-YJBOKZPZSA-N 1 2 357.410 2.967 20 5 FFBDLO Cc1ccc(O[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])n1 ZINC001227221830 1034974141 /nfs/dbraw/zinc/97/41/41/1034974141.db2.gz DLQLMDXWZSZFMR-YJBOKZPZSA-N 1 2 357.410 2.967 20 5 FFBDLO Cc1cc(C)c(CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c[nH+]1 ZINC001536109235 1069925202 /nfs/dbraw/zinc/92/52/02/1069925202.db2.gz JAXMPNWUBRJEAY-UHFFFAOYSA-N 1 2 351.366 2.722 20 5 FFBDLO CSc1nc(O[C@@H](CC[NH+](C)C)c2ccccc2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227624926 1035644663 /nfs/dbraw/zinc/64/46/63/1035644663.db2.gz JFOBAVUFBBGMKL-LBPRGKRZSA-N 1 2 364.427 2.884 20 5 FFBDLO O=[N+]([O-])c1c(Cl)ccnc1OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001228014127 1035877705 /nfs/dbraw/zinc/87/77/05/1035877705.db2.gz DOTADXLJMLNPJR-CQSZACIVSA-N 1 2 363.801 2.923 20 5 FFBDLO O=[N+]([O-])c1c(Cl)ccnc1OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001228014127 1035877718 /nfs/dbraw/zinc/87/77/18/1035877718.db2.gz DOTADXLJMLNPJR-CQSZACIVSA-N 1 2 363.801 2.923 20 5 FFBDLO O=[N+]([O-])c1nc(Cl)ccc1OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001230878822 1037390086 /nfs/dbraw/zinc/39/00/86/1037390086.db2.gz JEFPJZFUYCQWMV-CQSZACIVSA-N 1 2 363.801 2.923 20 5 FFBDLO O=[N+]([O-])c1nc(Cl)ccc1OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001230878822 1037390093 /nfs/dbraw/zinc/39/00/93/1037390093.db2.gz JEFPJZFUYCQWMV-CQSZACIVSA-N 1 2 363.801 2.923 20 5 FFBDLO Nc1ccc(NC(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)cc1[N+](=O)[O-] ZINC001207625353 1037613408 /nfs/dbraw/zinc/61/34/08/1037613408.db2.gz WBPMVXYKEYVRJI-MRXNPFEDSA-N 1 2 366.381 2.937 20 5 FFBDLO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2CC[C@@H](C(F)(F)F)C[NH2+]2)n1 ZINC001247759041 1039936680 /nfs/dbraw/zinc/93/66/80/1039936680.db2.gz JZODJPJBNYVMIT-HTRCEHHLSA-N 1 2 361.255 2.782 20 5 FFBDLO COC(=O)[C@](C)(Cc1ccccc1)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254582439 1040815231 /nfs/dbraw/zinc/81/52/31/1040815231.db2.gz UNTZTMWEAPAJTI-XLIONFOSSA-N 1 2 354.406 2.826 20 5 FFBDLO C[C@H](CNC(=O)NCCCNc1cccc[nH+]1)c1ccccc1[N+](=O)[O-] ZINC001311449518 1043918687 /nfs/dbraw/zinc/91/86/87/1043918687.db2.gz ZVYLFQQAJAJMAY-CQSZACIVSA-N 1 2 357.414 2.895 20 5 FFBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[NH+](Cc2ccc(-c3ccsc3)cc2)CC1 ZINC001313444854 1044363614 /nfs/dbraw/zinc/36/36/14/1044363614.db2.gz LJTRZNVGSPBXJA-QZTJIDSGSA-N 1 2 371.462 2.725 20 5 FFBDLO COC(=O)N1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC001318549356 1044742170 /nfs/dbraw/zinc/74/21/70/1044742170.db2.gz FQWDSXHSSJFFII-UHFFFAOYSA-N 1 2 351.403 2.656 20 5 FFBDLO COC(=O)N1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC001318549356 1044742181 /nfs/dbraw/zinc/74/21/81/1044742181.db2.gz FQWDSXHSSJFFII-UHFFFAOYSA-N 1 2 351.403 2.656 20 5 FFBDLO O=C(Nc1cc2n(n1)CCCC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001539476671 1070645822 /nfs/dbraw/zinc/64/58/22/1070645822.db2.gz OJQQBZOAQCACEE-UHFFFAOYSA-N 1 2 352.354 2.566 20 5 FFBDLO Cc1nc(NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)ncc1[N+](=O)[O-] ZINC001324486747 1046059099 /nfs/dbraw/zinc/05/90/99/1046059099.db2.gz RWTLNQRTNLWOGR-UHFFFAOYSA-N 1 2 356.430 2.840 20 5 FFBDLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NCCNc1ccccc1[N+](=O)[O-] ZINC001540507395 1070913074 /nfs/dbraw/zinc/91/30/74/1070913074.db2.gz KXJABZYQJRZNPR-CYBMUJFWSA-N 1 2 371.319 2.513 20 5 FFBDLO O=C(Cc1ccc(-n2cc[nH+]c2)cc1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001540751507 1070985226 /nfs/dbraw/zinc/98/52/26/1070985226.db2.gz BKVBDTLACSCEFT-UHFFFAOYSA-N 1 2 365.393 2.551 20 5 FFBDLO COc1cc(C[NH+]2CCN(c3c(C)cncc3[N+](=O)[O-])CC2)cc(OC)c1 ZINC001328564490 1048358738 /nfs/dbraw/zinc/35/87/38/1048358738.db2.gz HCXCJHRWKBPDJB-UHFFFAOYSA-N 1 2 372.425 2.638 20 5 FFBDLO Cc1ccc(CNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC001333302781 1048821273 /nfs/dbraw/zinc/82/12/73/1048821273.db2.gz BOXQDAYHILOVDO-INIZCTEOSA-N 1 2 371.441 2.801 20 5 FFBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001333940027 1049176704 /nfs/dbraw/zinc/17/67/04/1049176704.db2.gz JHATXGFQBCWKEJ-CQSZACIVSA-N 1 2 374.416 2.881 20 5 FFBDLO COc1nsc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)c1Cl ZINC001308489748 1052460501 /nfs/dbraw/zinc/46/05/01/1052460501.db2.gz ANRSMADHNUPPDV-CQSZACIVSA-N 1 2 357.819 2.711 20 5 FFBDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001543798685 1071547626 /nfs/dbraw/zinc/54/76/26/1071547626.db2.gz JIPNFKYGFLRMAX-CYBMUJFWSA-N 1 2 365.821 2.872 20 5 FFBDLO CCn1c[nH+]cc1COC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC001518049164 1058251254 /nfs/dbraw/zinc/25/12/54/1058251254.db2.gz STJRMEAMSJCESX-UHFFFAOYSA-N 1 2 365.411 2.796 20 5 FFBDLO COc1cc[nH+]cc1Cn1c(C)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001518541828 1058413600 /nfs/dbraw/zinc/41/36/00/1058413600.db2.gz PEZRHIPVMBOAEP-UHFFFAOYSA-N 1 2 368.397 2.583 20 5 FFBDLO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1ccncc1 ZINC001454550086 1059560313 /nfs/dbraw/zinc/56/03/13/1059560313.db2.gz VSPAXWUMTBNBLU-CYBMUJFWSA-N 1 2 351.366 2.709 20 5 FFBDLO O=C(COC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)Nc1ccccc1 ZINC001456041587 1059997025 /nfs/dbraw/zinc/99/70/25/1059997025.db2.gz BEUMTEAWTZPFLA-UHFFFAOYSA-N 1 2 366.333 2.576 20 5 FFBDLO O=C(N1CCC(n2cc[nH+]c2)CC1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848582656 1060309619 /nfs/dbraw/zinc/30/96/19/1060309619.db2.gz OIWNILMFUDFEMF-UHFFFAOYSA-N 1 2 366.324 2.627 20 5 FFBDLO Cc1cc(NCCNC(=O)c2c(C)cccc2[N+](=O)[O-])nc(C(C)C)[nH+]1 ZINC000600366331 1060316159 /nfs/dbraw/zinc/31/61/59/1060316159.db2.gz NRNBZGDQROVICL-UHFFFAOYSA-N 1 2 357.414 2.967 20 5 FFBDLO O=C(Nc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001521215785 1060469525 /nfs/dbraw/zinc/46/95/25/1060469525.db2.gz DAFQTVONBVJONP-UHFFFAOYSA-N 1 2 352.306 2.762 20 5 FFBDLO CN(CCCNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)c1cccc[nH+]1 ZINC001458554771 1060622038 /nfs/dbraw/zinc/62/20/38/1060622038.db2.gz BJFMMHQUCUKGJY-UHFFFAOYSA-N 1 2 358.324 2.681 20 5 FFBDLO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1nccs1 ZINC001458797437 1060664418 /nfs/dbraw/zinc/66/44/18/1060664418.db2.gz FVOTWCUUZDJXGZ-LLVKDONJSA-N 1 2 357.395 2.771 20 5 FFBDLO Cc1ccc(C[NH+]2CCN(c3cccc4[nH]c(=O)[nH]c43)CC2)cc1[N+](=O)[O-] ZINC001460824929 1061117785 /nfs/dbraw/zinc/11/77/85/1061117785.db2.gz VRUYGDTZHGCWRE-UHFFFAOYSA-N 1 2 367.409 2.807 20 5 FFBDLO Cc1cc(C)c(CNC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)c[nH+]1 ZINC001460889809 1061140211 /nfs/dbraw/zinc/14/02/11/1061140211.db2.gz ILDCBRYYYITKQV-UHFFFAOYSA-N 1 2 357.366 2.698 20 5 FFBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2ccc3scnc3c2)CC1 ZINC001462312824 1061580092 /nfs/dbraw/zinc/58/00/92/1061580092.db2.gz KGQVQUYNFHQWML-UHFFFAOYSA-N 1 2 355.423 2.922 20 5 FFBDLO CN(C)c1cc[nH+]c(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)c1 ZINC001546133252 1061701539 /nfs/dbraw/zinc/70/15/39/1061701539.db2.gz JXIJHTBONZQPMK-UHFFFAOYSA-N 1 2 353.741 2.683 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCCc2occc2C1 ZINC001436586211 1062742929 /nfs/dbraw/zinc/74/29/29/1062742929.db2.gz OPSMFMYHJSXTIH-UHFFFAOYSA-N 1 2 352.350 2.962 20 5 FFBDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001467548084 1063778347 /nfs/dbraw/zinc/77/83/47/1063778347.db2.gz FOVLYSLLBYMYNF-AWEZNQCLSA-N 1 2 372.425 2.980 20 5 FFBDLO CC[C@H]1COCC[N@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001467548084 1063778355 /nfs/dbraw/zinc/77/83/55/1063778355.db2.gz FOVLYSLLBYMYNF-AWEZNQCLSA-N 1 2 372.425 2.980 20 5 FFBDLO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC001471702848 1064765084 /nfs/dbraw/zinc/76/50/84/1064765084.db2.gz ZCNUKPSZMXMAFV-OFLBZXQPSA-N 1 2 355.369 2.920 20 5 FFBDLO COC(=O)Cc1ccc(NCCCN(C)c2cccc[nH+]2)c([N+](=O)[O-])c1 ZINC001472862405 1065160873 /nfs/dbraw/zinc/16/08/73/1065160873.db2.gz CBAHFHGEKQRSBV-UHFFFAOYSA-N 1 2 358.398 2.644 20 5 FFBDLO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Br ZINC001473688389 1065319044 /nfs/dbraw/zinc/31/90/44/1065319044.db2.gz XWGXMTGEPIHYSN-CQSZACIVSA-N 1 2 370.247 2.848 20 5 FFBDLO CC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Br ZINC001473688389 1065319054 /nfs/dbraw/zinc/31/90/54/1065319054.db2.gz XWGXMTGEPIHYSN-CQSZACIVSA-N 1 2 370.247 2.848 20 5 FFBDLO C[C@H]([NH2+][C@@H](CO)c1cc(F)ccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001473884509 1065406566 /nfs/dbraw/zinc/40/65/66/1065406566.db2.gz KBXPLLVXZRQBLC-QFYYESIMSA-N 1 2 365.336 2.523 20 5 FFBDLO CCn1cnc(Cl)c1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001474322972 1065493507 /nfs/dbraw/zinc/49/35/07/1065493507.db2.gz ALUWVVFRJUQYEC-NSHDSACASA-N 1 2 350.810 2.546 20 5 FFBDLO CCn1cnc(Cl)c1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001474322972 1065493513 /nfs/dbraw/zinc/49/35/13/1065493513.db2.gz ALUWVVFRJUQYEC-NSHDSACASA-N 1 2 350.810 2.546 20 5 FFBDLO Cc1cc(OS(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)ccc1[N+](=O)[O-] ZINC001474792267 1065608582 /nfs/dbraw/zinc/60/85/82/1065608582.db2.gz XOUYGVUNTDTQES-UHFFFAOYSA-N 1 2 362.407 2.659 20 5 FFBDLO Cc1cc(OS(=O)(=O)c2cccc3c2CC[N@H+](C)C3)ccc1[N+](=O)[O-] ZINC001474792267 1065608587 /nfs/dbraw/zinc/60/85/87/1065608587.db2.gz XOUYGVUNTDTQES-UHFFFAOYSA-N 1 2 362.407 2.659 20 5 FFBDLO COc1ccc(C[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])cc1F ZINC001580001888 1078730259 /nfs/dbraw/zinc/73/02/59/1078730259.db2.gz VCCXVVPJUFQBDC-UHFFFAOYSA-N 1 2 372.360 2.555 20 5 FFBDLO COc1ccc(C[N@@H+](C)Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])cc1F ZINC001580001888 1078730268 /nfs/dbraw/zinc/73/02/68/1078730268.db2.gz VCCXVVPJUFQBDC-UHFFFAOYSA-N 1 2 372.360 2.555 20 5 FFBDLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2CC(C)C)c(C)c1[N+](=O)[O-] ZINC001561957493 1076453535 /nfs/dbraw/zinc/45/35/35/1076453535.db2.gz FPHGXPDFXGOOOE-OAHLLOKOSA-N 1 2 369.487 2.562 20 5 FFBDLO Cc1ccc(S(=O)(=O)N2CC[N@H+](C)C[C@H]2CC(C)C)c(C)c1[N+](=O)[O-] ZINC001561957493 1076453537 /nfs/dbraw/zinc/45/35/37/1076453537.db2.gz FPHGXPDFXGOOOE-OAHLLOKOSA-N 1 2 369.487 2.562 20 5 FFBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1c(F)cncc1F ZINC001568785645 1077112143 /nfs/dbraw/zinc/11/21/43/1077112143.db2.gz SKNGQWNGUZMYPQ-SNVBAGLBSA-N 1 2 373.319 2.945 20 5 FFBDLO O=C(NC[C@H]1OCc2ccccc21)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001586488089 1079638218 /nfs/dbraw/zinc/63/82/18/1079638218.db2.gz NTWGJZVCANVEQG-GOSISDBHSA-N 1 2 364.361 2.782 20 5 FFBDLO Cc1ccccc1C(=O)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001586513586 1079642581 /nfs/dbraw/zinc/64/25/81/1079642581.db2.gz IBQGYFGDCBMSAV-UHFFFAOYSA-N 1 2 364.361 2.702 20 5 FFBDLO C[C@@H]([NH2+][C@@H](C)c1c(F)cncc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000285695227 257000183 /nfs/dbraw/zinc/00/01/83/257000183.db2.gz OAGGLIYHZRVEIG-VHSXEESVSA-N 1 2 350.325 2.946 20 5 FFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000117771143 250360384 /nfs/dbraw/zinc/36/03/84/250360384.db2.gz NTHZGSWNGULNGS-UHFFFAOYSA-N 1 2 371.784 2.688 20 5 FFBDLO Cc1nn(C)c(N2CCc3c([nH+]cn3CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000272449366 252041401 /nfs/dbraw/zinc/04/14/01/252041401.db2.gz FXVGAADDJXHJOW-UHFFFAOYSA-N 1 2 366.425 2.639 20 5 FFBDLO Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)C1)CCCC2 ZINC000275748778 256044519 /nfs/dbraw/zinc/04/45/19/256044519.db2.gz UMCBVVAVGAAGNE-AWEZNQCLSA-N 1 2 370.409 2.771 20 5 FFBDLO COC[C@H]1CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)O1 ZINC000276070944 256070714 /nfs/dbraw/zinc/07/07/14/256070714.db2.gz SLTVBIGCBJHDCL-XJKSGUPXSA-N 1 2 358.398 2.600 20 5 FFBDLO O=[N+]([O-])c1cc(C[NH+]2C[C@@H](O)[C@H](O)C2)ccc1Oc1ccccc1Cl ZINC000278460299 256315230 /nfs/dbraw/zinc/31/52/30/256315230.db2.gz ZTSLMLJLOVIZAU-HUUCEWRRSA-N 1 2 364.785 2.578 20 5 FFBDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000286609066 257045469 /nfs/dbraw/zinc/04/54/69/257045469.db2.gz RMBGUHJVCARJLK-CQSZACIVSA-N 1 2 373.287 2.663 20 5 FFBDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000286609066 257045470 /nfs/dbraw/zinc/04/54/70/257045470.db2.gz RMBGUHJVCARJLK-CQSZACIVSA-N 1 2 373.287 2.663 20 5 FFBDLO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000287994301 257137342 /nfs/dbraw/zinc/13/73/42/257137342.db2.gz AIUOYUKCMZHCJW-ZDUSSCGKSA-N 1 2 365.459 2.667 20 5 FFBDLO Cc1cc(NC[C@@H]2CCCN(C(N)=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000288588176 257208895 /nfs/dbraw/zinc/20/88/95/257208895.db2.gz SCGZJGIHMFUOFP-ZDUSSCGKSA-N 1 2 370.413 2.563 20 5 FFBDLO COc1cc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc([N+](=O)[O-])c1C ZINC000289312719 257274085 /nfs/dbraw/zinc/27/40/85/257274085.db2.gz XPKIGLGWEKALFJ-XJKSGUPXSA-N 1 2 374.397 2.888 20 5 FFBDLO COc1cc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc([N+](=O)[O-])c1C ZINC000289312719 257274087 /nfs/dbraw/zinc/27/40/87/257274087.db2.gz XPKIGLGWEKALFJ-XJKSGUPXSA-N 1 2 374.397 2.888 20 5 FFBDLO O=C(C[N@@H+]1CCC=C(c2cccnc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000289418171 257280110 /nfs/dbraw/zinc/28/01/10/257280110.db2.gz UMDWVIHYVZPTTP-UHFFFAOYSA-N 1 2 364.405 2.668 20 5 FFBDLO O=C(C[N@H+]1CCC=C(c2cccnc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000289418171 257280111 /nfs/dbraw/zinc/28/01/11/257280111.db2.gz UMDWVIHYVZPTTP-UHFFFAOYSA-N 1 2 364.405 2.668 20 5 FFBDLO Cc1cc(OCc2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)ccc1[N+](=O)[O-] ZINC000289085770 257255035 /nfs/dbraw/zinc/25/50/35/257255035.db2.gz JYKZWNMZGCODIA-CZUORRHYSA-N 1 2 374.397 2.791 20 5 FFBDLO Cc1cc(OCc2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)ccc1[N+](=O)[O-] ZINC000289085770 257255036 /nfs/dbraw/zinc/25/50/36/257255036.db2.gz JYKZWNMZGCODIA-CZUORRHYSA-N 1 2 374.397 2.791 20 5 FFBDLO Cc1c(Br)cc(C(=O)N2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000290940046 257366065 /nfs/dbraw/zinc/36/60/65/257366065.db2.gz OJBCRGZCZWAVSC-UHFFFAOYSA-N 1 2 365.187 2.518 20 5 FFBDLO COc1cc(N2CC[NH+](Cc3cn4ccccc4n3)CC2)ccc1[N+](=O)[O-] ZINC000301348875 258044541 /nfs/dbraw/zinc/04/45/41/258044541.db2.gz JDUAFSGGQMJYFX-UHFFFAOYSA-N 1 2 367.409 2.573 20 5 FFBDLO Cc1cc(N[C@@H](C)CCS(C)(=O)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301675717 258062121 /nfs/dbraw/zinc/06/21/21/258062121.db2.gz QEFLFRBJHIPPIX-NSHDSACASA-N 1 2 364.427 2.595 20 5 FFBDLO COc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)cc(OC)c1 ZINC000301680738 258062843 /nfs/dbraw/zinc/06/28/43/258062843.db2.gz VAALCYWXWTYEOT-UHFFFAOYSA-N 1 2 372.425 2.638 20 5 FFBDLO O=[N+]([O-])c1cc(F)c(N2CCN(Cc3cn4ccccc4[nH+]3)CC2)c(F)c1 ZINC000301800803 258068333 /nfs/dbraw/zinc/06/83/33/258068333.db2.gz SYFIQUKNWBXANE-UHFFFAOYSA-N 1 2 373.363 2.843 20 5 FFBDLO O=[N+]([O-])c1ccc2nc(N3CCC([C@H](O)c4[nH]cc[nH+]4)CC3)ccc2c1 ZINC000369085082 512220524 /nfs/dbraw/zinc/22/05/24/512220524.db2.gz PTBFSGCEMLUATA-KRWDZBQOSA-N 1 2 353.382 2.816 20 5 FFBDLO Cc1cn2c([nH+]1)CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)CC2 ZINC000373305866 512265931 /nfs/dbraw/zinc/26/59/31/512265931.db2.gz VQRVAXKVPUDXIL-UHFFFAOYSA-N 1 2 354.288 2.775 20 5 FFBDLO CNC(=O)c1ccc(NCc2cccc(Cn3cc[nH+]c3)c2)c([N+](=O)[O-])c1 ZINC000053558408 506405768 /nfs/dbraw/zinc/40/57/68/506405768.db2.gz VANZWAMNQHBHRU-UHFFFAOYSA-N 1 2 365.393 2.811 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000043121936 506702878 /nfs/dbraw/zinc/70/28/78/506702878.db2.gz AMVRCFGAJLGIRM-UHFFFAOYSA-N 1 2 371.397 2.920 20 5 FFBDLO Cc1[nH]c2ccc(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)cc2[nH+]1 ZINC000055229218 506705330 /nfs/dbraw/zinc/70/53/30/506705330.db2.gz DISTTWDFEYANFF-UHFFFAOYSA-N 1 2 363.337 2.613 20 5 FFBDLO Cc1[nH]c2cc(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)ccc2[nH+]1 ZINC000055229218 506705336 /nfs/dbraw/zinc/70/53/36/506705336.db2.gz DISTTWDFEYANFF-UHFFFAOYSA-N 1 2 363.337 2.613 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000067035185 506732290 /nfs/dbraw/zinc/73/22/90/506732290.db2.gz GHBIYWAIDMOTCL-IBGZPJMESA-N 1 2 369.421 2.707 20 5 FFBDLO O=C(NCc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccsc2)CC1 ZINC000045623580 506994181 /nfs/dbraw/zinc/99/41/81/506994181.db2.gz ZIKPMLCJTDPQKK-UHFFFAOYSA-N 1 2 360.439 2.684 20 5 FFBDLO CCc1[nH+]c2ccccc2n1CC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000015093558 507020124 /nfs/dbraw/zinc/02/01/24/507020124.db2.gz FURPKUFGXSGRLW-UHFFFAOYSA-N 1 2 367.409 2.735 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000056527616 507037221 /nfs/dbraw/zinc/03/72/21/507037221.db2.gz ZKOUXFTZEPSJTR-UHFFFAOYSA-N 1 2 355.354 2.881 20 5 FFBDLO COc1ccc(CC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cc1[N+](=O)[O-] ZINC000067915780 507050185 /nfs/dbraw/zinc/05/01/85/507050185.db2.gz ZUAZEPDVLFZYIK-UHFFFAOYSA-N 1 2 373.409 2.825 20 5 FFBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000046386800 507128042 /nfs/dbraw/zinc/12/80/42/507128042.db2.gz YIKNTBJMVNKMML-LBPRGKRZSA-N 1 2 360.439 2.853 20 5 FFBDLO C[C@H](C(=O)NCCc1ccc(F)cc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046598905 507156776 /nfs/dbraw/zinc/15/67/76/507156776.db2.gz JSNQTPDVTOUKGU-CQSZACIVSA-N 1 2 359.401 2.913 20 5 FFBDLO C[C@H](C(=O)NCCc1ccc(F)cc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046598905 507156780 /nfs/dbraw/zinc/15/67/80/507156780.db2.gz JSNQTPDVTOUKGU-CQSZACIVSA-N 1 2 359.401 2.913 20 5 FFBDLO COc1ccccc1C[NH+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000020543251 507224672 /nfs/dbraw/zinc/22/46/72/507224672.db2.gz JMJOHAOIVJCHSV-UHFFFAOYSA-N 1 2 370.409 2.953 20 5 FFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057406060 507256888 /nfs/dbraw/zinc/25/68/88/507256888.db2.gz NLKUYHDCJNAOTI-OAHLLOKOSA-N 1 2 354.410 2.744 20 5 FFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375439026 512328149 /nfs/dbraw/zinc/32/81/49/512328149.db2.gz QLIPQUFXUISNER-YPMHNXCESA-N 1 2 371.397 2.672 20 5 FFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375439026 512328151 /nfs/dbraw/zinc/32/81/51/512328151.db2.gz QLIPQUFXUISNER-YPMHNXCESA-N 1 2 371.397 2.672 20 5 FFBDLO Cc1c(CO)cc([N+](=O)[O-])c(NCCc2cn3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000023618094 507362665 /nfs/dbraw/zinc/36/26/65/507362665.db2.gz AKHBHRXRNQPTGT-UHFFFAOYSA-N 1 2 371.353 2.606 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000023773946 507373917 /nfs/dbraw/zinc/37/39/17/507373917.db2.gz UMSGMFZGQAVVAI-GOSISDBHSA-N 1 2 350.378 2.777 20 5 FFBDLO CC1CCC(N(C)C(=O)C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000047742851 507387011 /nfs/dbraw/zinc/38/70/11/507387011.db2.gz AVONXLBINWOLRG-UHFFFAOYSA-N 1 2 374.485 2.754 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1ccc(Cl)cc1 ZINC000026868310 507615290 /nfs/dbraw/zinc/61/52/90/507615290.db2.gz NXPYUZYHCIWUEC-OAHLLOKOSA-N 1 2 373.800 2.840 20 5 FFBDLO COc1ccccc1C[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000027348469 507650197 /nfs/dbraw/zinc/65/01/97/507650197.db2.gz ZYQKZKZHAPWKJT-UHFFFAOYSA-N 1 2 355.394 2.625 20 5 FFBDLO COc1ccccc1C[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000027348469 507650201 /nfs/dbraw/zinc/65/02/01/507650201.db2.gz ZYQKZKZHAPWKJT-UHFFFAOYSA-N 1 2 355.394 2.625 20 5 FFBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050580770 507694042 /nfs/dbraw/zinc/69/40/42/507694042.db2.gz QBQNTCULBPXPAI-LLVKDONJSA-N 1 2 357.395 2.733 20 5 FFBDLO Cc1c(C[NH+]2CCN(Cc3cn4ccccc4n3)CC2)cccc1[N+](=O)[O-] ZINC000051533086 507774562 /nfs/dbraw/zinc/77/45/62/507774562.db2.gz BSJDKEUIKQSMNZ-UHFFFAOYSA-N 1 2 365.437 2.869 20 5 FFBDLO CNc1ccc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000030656713 507811926 /nfs/dbraw/zinc/81/19/26/507811926.db2.gz MBSKGYQWLPFGEK-UHFFFAOYSA-N 1 2 365.393 2.811 20 5 FFBDLO CCn1cc(C[N@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000072981434 507880866 /nfs/dbraw/zinc/88/08/66/507880866.db2.gz IIKBAPQBEQFXGV-UHFFFAOYSA-N 1 2 351.794 2.535 20 5 FFBDLO CCn1cc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000072981434 507880868 /nfs/dbraw/zinc/88/08/68/507880868.db2.gz IIKBAPQBEQFXGV-UHFFFAOYSA-N 1 2 351.794 2.535 20 5 FFBDLO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000090451566 507920263 /nfs/dbraw/zinc/92/02/63/507920263.db2.gz IYBKPWLDWMCBEM-NWDGAFQWSA-N 1 2 351.403 2.632 20 5 FFBDLO Cc1cc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC000109000010 507931101 /nfs/dbraw/zinc/93/11/01/507931101.db2.gz YRVWJYTYIHYKBU-UHFFFAOYSA-N 1 2 355.394 2.988 20 5 FFBDLO Cc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)s1 ZINC000091978188 508028696 /nfs/dbraw/zinc/02/86/96/508028696.db2.gz FSBQUKMVPJOPKK-UHFFFAOYSA-N 1 2 351.453 2.984 20 5 FFBDLO Cc1c[nH+]ccc1NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000110768071 508047174 /nfs/dbraw/zinc/04/71/74/508047174.db2.gz OLWKJLRZRGZKEI-GFCCVEGCSA-N 1 2 360.395 2.603 20 5 FFBDLO CC(C)[C@@]1(CO)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000377650306 512376953 /nfs/dbraw/zinc/37/69/53/512376953.db2.gz LWCQXBQAOWMXDR-SJCJKPOMSA-N 1 2 369.849 2.916 20 5 FFBDLO CC(C)[C@@]1(CO)CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000377650306 512376957 /nfs/dbraw/zinc/37/69/57/512376957.db2.gz LWCQXBQAOWMXDR-SJCJKPOMSA-N 1 2 369.849 2.916 20 5 FFBDLO CC(C)CC[C@@](C)(O)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000075127615 508085679 /nfs/dbraw/zinc/08/56/79/508085679.db2.gz KHMNQNXOXXDTGW-GOSISDBHSA-N 1 2 360.414 2.698 20 5 FFBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000075506317 508112126 /nfs/dbraw/zinc/11/21/26/508112126.db2.gz GQCFJLNDGPKSKM-ZDUSSCGKSA-N 1 2 368.821 2.577 20 5 FFBDLO C[C@H](C(=O)NC1CCCC1)N1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075715210 508130953 /nfs/dbraw/zinc/13/09/53/508130953.db2.gz LCSKKYZCIQREMS-JKSUJKDBSA-N 1 2 374.485 2.721 20 5 FFBDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075715210 508130954 /nfs/dbraw/zinc/13/09/54/508130954.db2.gz LCSKKYZCIQREMS-JKSUJKDBSA-N 1 2 374.485 2.721 20 5 FFBDLO O=C(NCc1[nH+]ccn1CCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000081929739 508218816 /nfs/dbraw/zinc/21/88/16/508218816.db2.gz JFIJSISYQACIAX-UHFFFAOYSA-N 1 2 350.378 2.964 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCSC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000083416956 508245329 /nfs/dbraw/zinc/24/53/29/508245329.db2.gz DHWYLORPDJXAFV-UHFFFAOYSA-N 1 2 353.444 2.759 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+]2CCSC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000083416956 508245331 /nfs/dbraw/zinc/24/53/31/508245331.db2.gz DHWYLORPDJXAFV-UHFFFAOYSA-N 1 2 353.444 2.759 20 5 FFBDLO O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000087004271 508330779 /nfs/dbraw/zinc/33/07/79/508330779.db2.gz NLBHRTKWDXKFFV-UHFFFAOYSA-N 1 2 369.421 2.998 20 5 FFBDLO COc1ccccc1[C@@H](C)NC(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605298 508377980 /nfs/dbraw/zinc/37/79/80/508377980.db2.gz OCDLXXIRTIBTOE-CQSZACIVSA-N 1 2 369.421 2.839 20 5 FFBDLO COc1ccccc1[C@@H](C)NC(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605298 508377983 /nfs/dbraw/zinc/37/79/83/508377983.db2.gz OCDLXXIRTIBTOE-CQSZACIVSA-N 1 2 369.421 2.839 20 5 FFBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCc3c4ccccc4[nH]c3C2)c1 ZINC000127185470 508411940 /nfs/dbraw/zinc/41/19/40/508411940.db2.gz YGMCCMNAGREFAN-OAHLLOKOSA-N 1 2 367.405 2.874 20 5 FFBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCc3c4ccccc4[nH]c3C2)c1 ZINC000127185470 508411943 /nfs/dbraw/zinc/41/19/43/508411943.db2.gz YGMCCMNAGREFAN-OAHLLOKOSA-N 1 2 367.405 2.874 20 5 FFBDLO C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H](c2ccccc2)O1 ZINC000122148888 508488552 /nfs/dbraw/zinc/48/85/52/508488552.db2.gz ZOQARHUYFBGGQA-FZKQIMNGSA-N 1 2 355.394 2.656 20 5 FFBDLO C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H](c2ccccc2)O1 ZINC000122148888 508488557 /nfs/dbraw/zinc/48/85/57/508488557.db2.gz ZOQARHUYFBGGQA-FZKQIMNGSA-N 1 2 355.394 2.656 20 5 FFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](CCO)Cc1cccnc1 ZINC000157044180 508514792 /nfs/dbraw/zinc/51/47/92/508514792.db2.gz KHMFUEUIBFSGRA-ZDUSSCGKSA-N 1 2 369.381 2.595 20 5 FFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](CCO)Cc1cccnc1 ZINC000157044180 508514796 /nfs/dbraw/zinc/51/47/96/508514796.db2.gz KHMFUEUIBFSGRA-ZDUSSCGKSA-N 1 2 369.381 2.595 20 5 FFBDLO C[C@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153039751 508541928 /nfs/dbraw/zinc/54/19/28/508541928.db2.gz DOLLUQSICIHOIS-CYBMUJFWSA-N 1 2 357.385 2.797 20 5 FFBDLO C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153039751 508541932 /nfs/dbraw/zinc/54/19/32/508541932.db2.gz DOLLUQSICIHOIS-CYBMUJFWSA-N 1 2 357.385 2.797 20 5 FFBDLO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000122588356 508558250 /nfs/dbraw/zinc/55/82/50/508558250.db2.gz BDIDWQZERIMBNV-OAHLLOKOSA-N 1 2 360.439 2.771 20 5 FFBDLO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000122588356 508558254 /nfs/dbraw/zinc/55/82/54/508558254.db2.gz BDIDWQZERIMBNV-OAHLLOKOSA-N 1 2 360.439 2.771 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000123005286 508620665 /nfs/dbraw/zinc/62/06/65/508620665.db2.gz RLNBOZWMUQBOQF-IUODEOHRSA-N 1 2 359.386 2.915 20 5 FFBDLO O=C(C[N@@H+]1CCc2cccc(F)c2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000157868114 508624536 /nfs/dbraw/zinc/62/45/36/508624536.db2.gz RZZCEFBWJXMYLV-UHFFFAOYSA-N 1 2 355.369 2.681 20 5 FFBDLO O=C(C[N@H+]1CCc2cccc(F)c2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000157868114 508624539 /nfs/dbraw/zinc/62/45/39/508624539.db2.gz RZZCEFBWJXMYLV-UHFFFAOYSA-N 1 2 355.369 2.681 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[N@H+](Cc2cscn2)CC1 ZINC000153686979 508625405 /nfs/dbraw/zinc/62/54/05/508625405.db2.gz WISDSWUPIYOGOL-UHFFFAOYSA-N 1 2 353.835 2.812 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000153686979 508625409 /nfs/dbraw/zinc/62/54/09/508625409.db2.gz WISDSWUPIYOGOL-UHFFFAOYSA-N 1 2 353.835 2.812 20 5 FFBDLO Cc1cccn2cc(CNS(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)[nH+]c12 ZINC000128790067 508644618 /nfs/dbraw/zinc/64/46/18/508644618.db2.gz HKGVOODZYOCPRQ-UHFFFAOYSA-N 1 2 374.422 2.646 20 5 FFBDLO CC(C)n1cnnc1[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000118859996 508686871 /nfs/dbraw/zinc/68/68/71/508686871.db2.gz JAWVNIJXGFDNQU-CQSZACIVSA-N 1 2 372.429 2.585 20 5 FFBDLO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000118859996 508686876 /nfs/dbraw/zinc/68/68/76/508686876.db2.gz JAWVNIJXGFDNQU-CQSZACIVSA-N 1 2 372.429 2.585 20 5 FFBDLO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000124530314 508847141 /nfs/dbraw/zinc/84/71/41/508847141.db2.gz AXMLTWOLMSCAAS-MRXNPFEDSA-N 1 2 355.394 2.867 20 5 FFBDLO CCOCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC)CC1 ZINC000154806783 508859669 /nfs/dbraw/zinc/85/96/69/508859669.db2.gz QYGODEAWHPDYSY-UHFFFAOYSA-N 1 2 367.471 2.501 20 5 FFBDLO Cc1[nH+]c2ccccn2c1Cn1cc([N+](=O)[O-])cc(Br)c1=O ZINC000130917211 508864946 /nfs/dbraw/zinc/86/49/46/508864946.db2.gz TZCUFGWMKXKYIA-UHFFFAOYSA-N 1 2 363.171 2.523 20 5 FFBDLO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1cc([N+](=O)[O-])ccc1O ZINC000124976512 508913668 /nfs/dbraw/zinc/91/36/68/508913668.db2.gz GVLHQBKSTOMUND-MRXNPFEDSA-N 1 2 371.393 2.530 20 5 FFBDLO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1cc([N+](=O)[O-])ccc1O ZINC000124976512 508913673 /nfs/dbraw/zinc/91/36/73/508913673.db2.gz GVLHQBKSTOMUND-MRXNPFEDSA-N 1 2 371.393 2.530 20 5 FFBDLO CC(C)CO[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000120235882 508956143 /nfs/dbraw/zinc/95/61/43/508956143.db2.gz PYICBBCMBNIXFP-CYBMUJFWSA-N 1 2 355.822 2.934 20 5 FFBDLO CC(C)CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000120235882 508956146 /nfs/dbraw/zinc/95/61/46/508956146.db2.gz PYICBBCMBNIXFP-CYBMUJFWSA-N 1 2 355.822 2.934 20 5 FFBDLO COCC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccc(C)o1 ZINC000125490301 508990685 /nfs/dbraw/zinc/99/06/85/508990685.db2.gz SWZBVELTRIESQN-UHFFFAOYSA-N 1 2 361.398 2.608 20 5 FFBDLO COCC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccc(C)o1 ZINC000125490301 508990686 /nfs/dbraw/zinc/99/06/86/508990686.db2.gz SWZBVELTRIESQN-UHFFFAOYSA-N 1 2 361.398 2.608 20 5 FFBDLO O=C(C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000155449937 509003898 /nfs/dbraw/zinc/00/38/98/509003898.db2.gz VNABNCUYRGPSSW-ABAIWWIYSA-N 1 2 353.806 2.688 20 5 FFBDLO O=C(C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000155449937 509003900 /nfs/dbraw/zinc/00/39/00/509003900.db2.gz VNABNCUYRGPSSW-ABAIWWIYSA-N 1 2 353.806 2.688 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000132423165 509029873 /nfs/dbraw/zinc/02/98/73/509029873.db2.gz VVCQXQSRKNYYRT-UHFFFAOYSA-N 1 2 368.393 2.968 20 5 FFBDLO CC1CCN(c2ccc(C(=O)NCCc3c[nH+]cn3C)cc2[N+](=O)[O-])CC1 ZINC000121275242 509161675 /nfs/dbraw/zinc/16/16/75/509161675.db2.gz PBAGZRRMUHOQND-UHFFFAOYSA-N 1 2 371.441 2.537 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000172708980 509189630 /nfs/dbraw/zinc/18/96/30/509189630.db2.gz ZCLFURJKFJIRMY-SFHVURJKSA-N 1 2 368.368 2.916 20 5 FFBDLO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263909431 509222250 /nfs/dbraw/zinc/22/22/50/509222250.db2.gz AYXLGPRJRHFZQW-HNNXBMFYSA-N 1 2 369.425 2.938 20 5 FFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000188778368 509258552 /nfs/dbraw/zinc/25/85/52/509258552.db2.gz VWOVYBJPSFYVQX-UHFFFAOYSA-N 1 2 374.828 2.740 20 5 FFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000188778368 509258561 /nfs/dbraw/zinc/25/85/61/509258561.db2.gz VWOVYBJPSFYVQX-UHFFFAOYSA-N 1 2 374.828 2.740 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000162634147 509269709 /nfs/dbraw/zinc/26/97/09/509269709.db2.gz OSZHEBMMPOAAGP-UHFFFAOYSA-N 1 2 355.398 2.648 20 5 FFBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)n1 ZINC000182613003 509333308 /nfs/dbraw/zinc/33/33/08/509333308.db2.gz JFJFIRXGXFDILD-CQSZACIVSA-N 1 2 370.331 2.884 20 5 FFBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)n1 ZINC000182613003 509333317 /nfs/dbraw/zinc/33/33/17/509333317.db2.gz JFJFIRXGXFDILD-CQSZACIVSA-N 1 2 370.331 2.884 20 5 FFBDLO Cc1ccn2c(C[NH+]3CCN(c4ccccc4[N+](=O)[O-])CC3)cnc2c1 ZINC000179590003 509525740 /nfs/dbraw/zinc/52/57/40/509525740.db2.gz IMFHMHJMDDZMAE-UHFFFAOYSA-N 1 2 351.410 2.873 20 5 FFBDLO CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000248882668 509526759 /nfs/dbraw/zinc/52/67/59/509526759.db2.gz PXSVXAQENMPCRL-TZMCWYRMSA-N 1 2 350.419 2.596 20 5 FFBDLO CC[C@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000248882668 509526767 /nfs/dbraw/zinc/52/67/67/509526767.db2.gz PXSVXAQENMPCRL-TZMCWYRMSA-N 1 2 350.419 2.596 20 5 FFBDLO O=C1C[N@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCN1 ZINC000179593928 509527501 /nfs/dbraw/zinc/52/75/01/509527501.db2.gz BLNPHCNFTLBDAR-UHFFFAOYSA-N 1 2 361.785 2.972 20 5 FFBDLO O=C1C[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCN1 ZINC000179593928 509527505 /nfs/dbraw/zinc/52/75/05/509527505.db2.gz BLNPHCNFTLBDAR-UHFFFAOYSA-N 1 2 361.785 2.972 20 5 FFBDLO C[C@H](C(=O)NC(=O)Nc1ccccc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192714367 509609980 /nfs/dbraw/zinc/60/99/80/509609980.db2.gz MVRGUOTZFVSNGZ-CYBMUJFWSA-N 1 2 356.382 2.763 20 5 FFBDLO C[C@H](C(=O)NC(=O)Nc1ccccc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192714367 509609987 /nfs/dbraw/zinc/60/99/87/509609987.db2.gz MVRGUOTZFVSNGZ-CYBMUJFWSA-N 1 2 356.382 2.763 20 5 FFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000249330880 509658490 /nfs/dbraw/zinc/65/84/90/509658490.db2.gz WDFQYQLCVTWXTL-BBRMVZONSA-N 1 2 371.393 2.694 20 5 FFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000249330880 509658492 /nfs/dbraw/zinc/65/84/92/509658492.db2.gz WDFQYQLCVTWXTL-BBRMVZONSA-N 1 2 371.393 2.694 20 5 FFBDLO C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000170763280 509765134 /nfs/dbraw/zinc/76/51/34/509765134.db2.gz WHERKMPZQVFSTA-UGSOOPFHSA-N 1 2 355.394 2.656 20 5 FFBDLO C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000170763280 509765138 /nfs/dbraw/zinc/76/51/38/509765138.db2.gz WHERKMPZQVFSTA-UGSOOPFHSA-N 1 2 355.394 2.656 20 5 FFBDLO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000264923236 509776568 /nfs/dbraw/zinc/77/65/68/509776568.db2.gz KRXDRPNANNUHET-NSHDSACASA-N 1 2 367.365 2.592 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000177185233 509924184 /nfs/dbraw/zinc/92/41/84/509924184.db2.gz HPQFRXRYJXSPRF-GOEBONIOSA-N 1 2 365.455 2.902 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000177185233 509924192 /nfs/dbraw/zinc/92/41/92/509924192.db2.gz HPQFRXRYJXSPRF-GOEBONIOSA-N 1 2 365.455 2.902 20 5 FFBDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)[nH]1 ZINC000268484159 509961603 /nfs/dbraw/zinc/96/16/03/509961603.db2.gz ONVYRMQONXAACW-GXTWGEPZSA-N 1 2 372.429 2.536 20 5 FFBDLO Cc1nnc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)[nH]1 ZINC000268484159 509961614 /nfs/dbraw/zinc/96/16/14/509961614.db2.gz ONVYRMQONXAACW-GXTWGEPZSA-N 1 2 372.429 2.536 20 5 FFBDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000268484159 509961623 /nfs/dbraw/zinc/96/16/23/509961623.db2.gz ONVYRMQONXAACW-GXTWGEPZSA-N 1 2 372.429 2.536 20 5 FFBDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000268484159 509961635 /nfs/dbraw/zinc/96/16/35/509961635.db2.gz ONVYRMQONXAACW-GXTWGEPZSA-N 1 2 372.429 2.536 20 5 FFBDLO O=C(c1cccc(F)c1)N1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000193672109 510014860 /nfs/dbraw/zinc/01/48/60/510014860.db2.gz CXQZUEFFJUGEPT-UHFFFAOYSA-N 1 2 373.384 2.571 20 5 FFBDLO Cc1cc(NC[C@@H](C)c2nncn2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000190281847 510042363 /nfs/dbraw/zinc/04/23/63/510042363.db2.gz BGAPOWLRTDWURV-LLVKDONJSA-N 1 2 353.386 2.704 20 5 FFBDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184252379 510219304 /nfs/dbraw/zinc/21/93/04/510219304.db2.gz GYCGCLAIWVCFGA-AWEZNQCLSA-N 1 2 353.394 2.575 20 5 FFBDLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184252379 510219308 /nfs/dbraw/zinc/21/93/08/510219308.db2.gz GYCGCLAIWVCFGA-AWEZNQCLSA-N 1 2 353.394 2.575 20 5 FFBDLO NC(=O)[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000171758851 510352844 /nfs/dbraw/zinc/35/28/44/510352844.db2.gz KVSOZYTZOBTKOO-AWEZNQCLSA-N 1 2 364.199 2.674 20 5 FFBDLO COCC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(F)cc1Cl ZINC000174864116 510353320 /nfs/dbraw/zinc/35/33/20/510353320.db2.gz OJLWECQUSCMCLE-UHFFFAOYSA-N 1 2 356.785 2.732 20 5 FFBDLO COCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(F)cc1Cl ZINC000174864116 510353327 /nfs/dbraw/zinc/35/33/27/510353327.db2.gz OJLWECQUSCMCLE-UHFFFAOYSA-N 1 2 356.785 2.732 20 5 FFBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])c1C ZINC000269399549 510385077 /nfs/dbraw/zinc/38/50/77/510385077.db2.gz NQLKXVJWBBMHQX-UHFFFAOYSA-N 1 2 361.402 2.734 20 5 FFBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c1C ZINC000269399549 510385085 /nfs/dbraw/zinc/38/50/85/510385085.db2.gz NQLKXVJWBBMHQX-UHFFFAOYSA-N 1 2 361.402 2.734 20 5 FFBDLO C[N@@H+](Cc1nccn1CC(F)(F)F)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269659493 510501624 /nfs/dbraw/zinc/50/16/24/510501624.db2.gz PWZLLTSVHHHVNU-CYBMUJFWSA-N 1 2 358.320 2.519 20 5 FFBDLO C[N@H+](Cc1nccn1CC(F)(F)F)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269659493 510501635 /nfs/dbraw/zinc/50/16/35/510501635.db2.gz PWZLLTSVHHHVNU-CYBMUJFWSA-N 1 2 358.320 2.519 20 5 FFBDLO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000194753801 510512595 /nfs/dbraw/zinc/51/25/95/510512595.db2.gz TYQFXRQZAOOBKN-OAHLLOKOSA-N 1 2 355.394 2.552 20 5 FFBDLO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000194753801 510512603 /nfs/dbraw/zinc/51/26/03/510512603.db2.gz TYQFXRQZAOOBKN-OAHLLOKOSA-N 1 2 355.394 2.552 20 5 FFBDLO O=C(N[C@@H](CCO)C1CCCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178347982 510559274 /nfs/dbraw/zinc/55/92/74/510559274.db2.gz PQNSKTNHTPRHJB-INIZCTEOSA-N 1 2 372.425 2.842 20 5 FFBDLO C[C@@H](C(=O)NCc1cccnc1-n1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1F ZINC000184922059 510586441 /nfs/dbraw/zinc/58/64/41/510586441.db2.gz PPPQYAYNBJKURH-GFCCVEGCSA-N 1 2 369.356 2.735 20 5 FFBDLO O=[N+]([O-])c1cc(Br)cnc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000269902731 510590781 /nfs/dbraw/zinc/59/07/81/510590781.db2.gz ZPINCTXVWHGHRR-LLVKDONJSA-N 1 2 364.203 2.838 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000184947365 510599930 /nfs/dbraw/zinc/59/99/30/510599930.db2.gz CBRQCHGQTOZFCW-UHFFFAOYSA-N 1 2 369.425 2.581 20 5 FFBDLO Cc1cc(S(=O)(=O)Nc2cccc(-n3cc[nH+]c3)c2)ccc1[N+](=O)[O-] ZINC000172212889 510602002 /nfs/dbraw/zinc/60/20/02/510602002.db2.gz NVBKJZAIDIRLEY-UHFFFAOYSA-N 1 2 358.379 2.890 20 5 FFBDLO CC(C)C[C@@]1(CO)CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000191475202 510678639 /nfs/dbraw/zinc/67/86/39/510678639.db2.gz IUXCXYQBFLYITA-LJQANCHMSA-N 1 2 372.425 2.794 20 5 FFBDLO CCCCc1[nH]c2ccc(NC(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)cc2[nH+]1 ZINC000178636141 510699201 /nfs/dbraw/zinc/69/92/01/510699201.db2.gz MPPVXTWCZOJCGS-UHFFFAOYSA-N 1 2 369.381 2.614 20 5 FFBDLO C[C@@H](C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185140656 510707265 /nfs/dbraw/zinc/70/72/65/510707265.db2.gz OMXLEGHSJDMBOX-OLZOCXBDSA-N 1 2 358.373 2.628 20 5 FFBDLO Cc1nc(CCN(C)c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)no1 ZINC000270233958 510728655 /nfs/dbraw/zinc/72/86/55/510728655.db2.gz PDDZYYIDCJQGPK-UHFFFAOYSA-N 1 2 354.370 2.731 20 5 FFBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000182153912 510784051 /nfs/dbraw/zinc/78/40/51/510784051.db2.gz DDSAWCRDSYRKON-AWEZNQCLSA-N 1 2 367.405 2.874 20 5 FFBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000182153912 510784057 /nfs/dbraw/zinc/78/40/57/510784057.db2.gz DDSAWCRDSYRKON-AWEZNQCLSA-N 1 2 367.405 2.874 20 5 FFBDLO Cc1csc(C(C)(C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000182177517 510796878 /nfs/dbraw/zinc/79/68/78/510796878.db2.gz YJRYLXZIKWGTFO-UHFFFAOYSA-N 1 2 369.468 2.658 20 5 FFBDLO CC(C)[C@@H](O)C(C)(C)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178876791 510816925 /nfs/dbraw/zinc/81/69/25/510816925.db2.gz PPIPHMUQEIAATJ-MRXNPFEDSA-N 1 2 360.414 2.553 20 5 FFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000247391525 510859444 /nfs/dbraw/zinc/85/94/44/510859444.db2.gz QLQVPMDEVKFHHD-MEDUHNTESA-N 1 2 353.806 2.688 20 5 FFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000247391525 510859445 /nfs/dbraw/zinc/85/94/45/510859445.db2.gz QLQVPMDEVKFHHD-MEDUHNTESA-N 1 2 353.806 2.688 20 5 FFBDLO C[C@H]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[C@H]1n1cc[nH+]c1 ZINC000247654930 510867982 /nfs/dbraw/zinc/86/79/82/510867982.db2.gz PNGFECVUOVCBNM-YVEFUNNKSA-N 1 2 355.398 2.764 20 5 FFBDLO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@]2(CO)CCOc3ccccc32)c(F)c1 ZINC000285369239 510880525 /nfs/dbraw/zinc/88/05/25/510880525.db2.gz RCEXBYGIKMMWLE-QGZVFWFLSA-N 1 2 350.321 2.633 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCOC[C@@H](C2CCC2)C1 ZINC000293996196 510923393 /nfs/dbraw/zinc/92/33/93/510923393.db2.gz WWZJFQXVLDRGAO-INIZCTEOSA-N 1 2 370.409 2.669 20 5 FFBDLO Cc1nc(N2CC[NH+](Cc3nc4ccccc4s3)CC2)ncc1[N+](=O)[O-] ZINC000297562834 510992880 /nfs/dbraw/zinc/99/28/80/510992880.db2.gz RRKWGSUHGVMZIA-UHFFFAOYSA-N 1 2 370.438 2.625 20 5 FFBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000285668451 511003190 /nfs/dbraw/zinc/00/31/90/511003190.db2.gz MMYTZXVJKGBABL-YPMHNXCESA-N 1 2 368.821 2.575 20 5 FFBDLO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000364763631 511067686 /nfs/dbraw/zinc/06/76/86/511067686.db2.gz OZQHEFLGEHOQIG-INIZCTEOSA-N 1 2 366.381 2.871 20 5 FFBDLO Cn1cc(C[NH2+]Cc2ncnn2C(C)(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000282762277 511101100 /nfs/dbraw/zinc/10/11/00/511101100.db2.gz UEIUGPGJMRFXAE-UHFFFAOYSA-N 1 2 369.429 2.632 20 5 FFBDLO C[C@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000271240912 511133603 /nfs/dbraw/zinc/13/36/03/511133603.db2.gz HMYQEAMQECLTLA-WDEREUQCSA-N 1 2 361.489 2.592 20 5 FFBDLO C[C@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000271240912 511133610 /nfs/dbraw/zinc/13/36/10/511133610.db2.gz HMYQEAMQECLTLA-WDEREUQCSA-N 1 2 361.489 2.592 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000291654737 511283077 /nfs/dbraw/zinc/28/30/77/511283077.db2.gz FNDYIGMSLRDMRB-DGCLKSJQSA-N 1 2 363.805 2.719 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000291654737 511283083 /nfs/dbraw/zinc/28/30/83/511283083.db2.gz FNDYIGMSLRDMRB-DGCLKSJQSA-N 1 2 363.805 2.719 20 5 FFBDLO C[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000363040186 511314674 /nfs/dbraw/zinc/31/46/74/511314674.db2.gz OWFVGSPTVGXLDT-CYBMUJFWSA-N 1 2 366.381 2.736 20 5 FFBDLO CC1(C)C[C@H](O)CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000295628724 511464555 /nfs/dbraw/zinc/46/45/55/511464555.db2.gz ZRSQHOWIQJAKKZ-GFCCVEGCSA-N 1 2 355.822 2.670 20 5 FFBDLO CC1(C)C[C@H](O)CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000295628724 511464562 /nfs/dbraw/zinc/46/45/62/511464562.db2.gz ZRSQHOWIQJAKKZ-GFCCVEGCSA-N 1 2 355.822 2.670 20 5 FFBDLO COc1cc(C(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)cc([N+](=O)[O-])c1C ZINC000295941384 511562630 /nfs/dbraw/zinc/56/26/30/511562630.db2.gz QCTNOKGQYRXHBO-HNNXBMFYSA-N 1 2 358.398 2.869 20 5 FFBDLO Cc1nc(C2([NH2+]CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)CCCCC2)no1 ZINC000299272305 511572961 /nfs/dbraw/zinc/57/29/61/511572961.db2.gz OCCUZYGETGKCMD-UHFFFAOYSA-N 1 2 373.413 2.698 20 5 FFBDLO C[S@](=O)C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000284280354 511666474 /nfs/dbraw/zinc/66/64/74/511666474.db2.gz XXTOBWJHWPGWLX-MQNRADLISA-N 1 2 363.395 2.712 20 5 FFBDLO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(O)c1[N+](=O)[O-] ZINC000280958105 511667142 /nfs/dbraw/zinc/66/71/42/511667142.db2.gz NBXDHOPNAUZVCL-INIZCTEOSA-N 1 2 369.421 2.595 20 5 FFBDLO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(O)c1[N+](=O)[O-] ZINC000280958105 511667145 /nfs/dbraw/zinc/66/71/45/511667145.db2.gz NBXDHOPNAUZVCL-INIZCTEOSA-N 1 2 369.421 2.595 20 5 FFBDLO Cc1[nH+]c(C(C)C)ccc1COc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000292641866 511670090 /nfs/dbraw/zinc/67/00/90/511670090.db2.gz LNVWBGKEMFXGOZ-UHFFFAOYSA-N 1 2 365.411 2.648 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)Cc1ccccc1S(N)(=O)=O ZINC000292870684 511752276 /nfs/dbraw/zinc/75/22/76/511752276.db2.gz XFOCYEQHYWOHRA-CYBMUJFWSA-N 1 2 363.439 2.744 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)Cc1ccccc1S(N)(=O)=O ZINC000292870684 511752280 /nfs/dbraw/zinc/75/22/80/511752280.db2.gz XFOCYEQHYWOHRA-CYBMUJFWSA-N 1 2 363.439 2.744 20 5 FFBDLO COc1ccc(NC(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000296498406 511768292 /nfs/dbraw/zinc/76/82/92/511768292.db2.gz BNQVDUNAJJGIEK-AWEZNQCLSA-N 1 2 359.386 2.952 20 5 FFBDLO O=[N+]([O-])c1cncc(Cl)c1NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000311818059 511779556 /nfs/dbraw/zinc/77/95/56/511779556.db2.gz YCAHOCAYXJMTJX-CQSZACIVSA-N 1 2 362.817 2.956 20 5 FFBDLO O=[N+]([O-])c1cncc(Cl)c1NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000311818059 511779565 /nfs/dbraw/zinc/77/95/65/511779565.db2.gz YCAHOCAYXJMTJX-CQSZACIVSA-N 1 2 362.817 2.956 20 5 FFBDLO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000281308681 511798320 /nfs/dbraw/zinc/79/83/20/511798320.db2.gz QFVAJXONBCKCLB-KRWDZBQOSA-N 1 2 358.398 2.922 20 5 FFBDLO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000281308681 511798327 /nfs/dbraw/zinc/79/83/27/511798327.db2.gz QFVAJXONBCKCLB-KRWDZBQOSA-N 1 2 358.398 2.922 20 5 FFBDLO CCN(C)C(=O)CC[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284789052 511869402 /nfs/dbraw/zinc/86/94/02/511869402.db2.gz NWSJCNARKHYOMC-UHFFFAOYSA-N 1 2 370.247 2.584 20 5 FFBDLO CCN(C)C(=O)CC[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284789052 511869406 /nfs/dbraw/zinc/86/94/06/511869406.db2.gz NWSJCNARKHYOMC-UHFFFAOYSA-N 1 2 370.247 2.584 20 5 FFBDLO CC(C)(C(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccc([N+](=O)[O-])cc1F ZINC000364010492 511904519 /nfs/dbraw/zinc/90/45/19/511904519.db2.gz GSJDPSRHHPMRDA-UHFFFAOYSA-N 1 2 374.416 2.903 20 5 FFBDLO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000364038616 511921234 /nfs/dbraw/zinc/92/12/34/511921234.db2.gz WSRPSCWSLJJPDZ-LLVKDONJSA-N 1 2 372.353 2.656 20 5 FFBDLO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000377818733 512464964 /nfs/dbraw/zinc/46/49/64/512464964.db2.gz LMEUPWOVGKKCEL-MRXNPFEDSA-N 1 2 369.421 2.895 20 5 FFBDLO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000377818733 512464968 /nfs/dbraw/zinc/46/49/68/512464968.db2.gz LMEUPWOVGKKCEL-MRXNPFEDSA-N 1 2 369.421 2.895 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC2CC1(C(F)(F)F)C2 ZINC000411109799 512473084 /nfs/dbraw/zinc/47/30/84/512473084.db2.gz BXHHMLGAXGVVJG-UHFFFAOYSA-N 1 2 366.299 2.947 20 5 FFBDLO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000371606800 512490776 /nfs/dbraw/zinc/49/07/76/512490776.db2.gz LSHKXNMPJVSRPY-INIZCTEOSA-N 1 2 355.394 2.647 20 5 FFBDLO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000371606800 512490779 /nfs/dbraw/zinc/49/07/79/512490779.db2.gz LSHKXNMPJVSRPY-INIZCTEOSA-N 1 2 355.394 2.647 20 5 FFBDLO CCOc1cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000373809890 512516588 /nfs/dbraw/zinc/51/65/88/512516588.db2.gz KOHXHFVGDUSSSZ-KSSFIOAISA-N 1 2 350.415 2.763 20 5 FFBDLO CCOc1cc(C[N@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000373809890 512516591 /nfs/dbraw/zinc/51/65/91/512516591.db2.gz KOHXHFVGDUSSSZ-KSSFIOAISA-N 1 2 350.415 2.763 20 5 FFBDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000367561897 512559181 /nfs/dbraw/zinc/55/91/81/512559181.db2.gz DPCCSEMGJPQGMN-GOSISDBHSA-N 1 2 374.441 2.788 20 5 FFBDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000367561897 512559183 /nfs/dbraw/zinc/55/91/83/512559183.db2.gz DPCCSEMGJPQGMN-GOSISDBHSA-N 1 2 374.441 2.788 20 5 FFBDLO O=C(c1cc(O)ccc1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000376154232 512686620 /nfs/dbraw/zinc/68/66/20/512686620.db2.gz DOPJSTSIRKBIPH-IYBDPMFKSA-N 1 2 367.405 2.504 20 5 FFBDLO O=C(c1cc(O)ccc1[N+](=O)[O-])N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000376154232 512686625 /nfs/dbraw/zinc/68/66/25/512686625.db2.gz DOPJSTSIRKBIPH-IYBDPMFKSA-N 1 2 367.405 2.504 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000374357199 512787820 /nfs/dbraw/zinc/78/78/20/512787820.db2.gz IUUCIHBTURSONH-OAHLLOKOSA-N 1 2 369.425 2.558 20 5 FFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000376460453 512828130 /nfs/dbraw/zinc/82/81/30/512828130.db2.gz WWOUCPRBPBFNKV-ZDUSSCGKSA-N 1 2 357.414 2.587 20 5 FFBDLO C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380478441 512872405 /nfs/dbraw/zinc/87/24/05/512872405.db2.gz TWPDZRPTKUPKFX-WMLDXEAASA-N 1 2 369.421 2.941 20 5 FFBDLO C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000380478441 512872412 /nfs/dbraw/zinc/87/24/12/512872412.db2.gz TWPDZRPTKUPKFX-WMLDXEAASA-N 1 2 369.421 2.941 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)C(C)(C)C[NH+]1CCOCC1 ZINC000412073794 512944176 /nfs/dbraw/zinc/94/41/76/512944176.db2.gz AMUXAHYIDZJGPF-UHFFFAOYSA-N 1 2 365.474 2.925 20 5 FFBDLO O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000370550418 512990178 /nfs/dbraw/zinc/99/01/78/512990178.db2.gz WABRGKBDPLSWMB-LSDHHAIUSA-N 1 2 367.833 2.621 20 5 FFBDLO C[C@@H]1N(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCC12CCOCC2 ZINC000450592812 513265349 /nfs/dbraw/zinc/26/53/49/513265349.db2.gz POPGZOULLIYCNL-AWEZNQCLSA-N 1 2 370.409 2.812 20 5 FFBDLO C[C@@H]1C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)Cc2ccccc2O1 ZINC000429120564 513283886 /nfs/dbraw/zinc/28/38/86/513283886.db2.gz BBXIDDDZKVEUTD-CQSZACIVSA-N 1 2 367.405 2.767 20 5 FFBDLO C[C@@H]1C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)Cc2ccccc2O1 ZINC000429120564 513283891 /nfs/dbraw/zinc/28/38/91/513283891.db2.gz BBXIDDDZKVEUTD-CQSZACIVSA-N 1 2 367.405 2.767 20 5 FFBDLO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000429268937 513321839 /nfs/dbraw/zinc/32/18/39/513321839.db2.gz DZTPBOUNNUQTHV-ZDUSSCGKSA-N 1 2 372.400 2.544 20 5 FFBDLO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000429268937 513321844 /nfs/dbraw/zinc/32/18/44/513321844.db2.gz DZTPBOUNNUQTHV-ZDUSSCGKSA-N 1 2 372.400 2.544 20 5 FFBDLO Cc1cc(NCCOc2ncccc2F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000446878688 513355253 /nfs/dbraw/zinc/35/52/53/513355253.db2.gz CFOIAQOZIFZGKO-UHFFFAOYSA-N 1 2 369.356 2.807 20 5 FFBDLO CC1(C)C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H]2CCC[C@H]2O1 ZINC000440962893 513447567 /nfs/dbraw/zinc/44/75/67/513447567.db2.gz PCHHZUKLFSSFNP-IAGOWNOFSA-N 1 2 359.426 2.516 20 5 FFBDLO CC1(C)C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H]2CCC[C@H]2O1 ZINC000440962893 513447574 /nfs/dbraw/zinc/44/75/74/513447574.db2.gz PCHHZUKLFSSFNP-IAGOWNOFSA-N 1 2 359.426 2.516 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC([C@@H]2CCCO2)CC1 ZINC000451020259 513460206 /nfs/dbraw/zinc/46/02/06/513460206.db2.gz ZDYNAKYXSYFRFN-SFHVURJKSA-N 1 2 370.409 2.812 20 5 FFBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000447656649 513534017 /nfs/dbraw/zinc/53/40/17/513534017.db2.gz APEOMOBAJNSFIA-UHFFFAOYSA-N 1 2 369.849 2.739 20 5 FFBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000447656649 513534021 /nfs/dbraw/zinc/53/40/21/513534021.db2.gz APEOMOBAJNSFIA-UHFFFAOYSA-N 1 2 369.849 2.739 20 5 FFBDLO C[C@@H](Cc1ccncc1)Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447799230 513572112 /nfs/dbraw/zinc/57/21/12/513572112.db2.gz GOSAMCPNFIRUFL-HNNXBMFYSA-N 1 2 356.426 2.865 20 5 FFBDLO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H](C)Cn1cc[nH+]c1 ZINC000447804823 513574907 /nfs/dbraw/zinc/57/49/07/513574907.db2.gz GTPNDFBSZQTZKG-SNVBAGLBSA-N 1 2 352.778 2.980 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCc1cccc(CO)c1 ZINC000447817073 513579960 /nfs/dbraw/zinc/57/99/60/513579960.db2.gz OGQYBISUTWCGQE-UHFFFAOYSA-N 1 2 357.410 2.531 20 5 FFBDLO C[C@H](O)CNc1cc(N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nc[nH+]1 ZINC000413308310 513583674 /nfs/dbraw/zinc/58/36/74/513583674.db2.gz CPIZCZHBVCCJQA-ZFWWWQNUSA-N 1 2 357.414 2.562 20 5 FFBDLO C[C@H](O)CNc1cc(N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)[nH+]cn1 ZINC000413308310 513583679 /nfs/dbraw/zinc/58/36/79/513583679.db2.gz CPIZCZHBVCCJQA-ZFWWWQNUSA-N 1 2 357.414 2.562 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2nc(C)c(C)s2)CC1 ZINC000430210919 513588900 /nfs/dbraw/zinc/58/89/00/513588900.db2.gz WEZMIRXCIUIJBG-UHFFFAOYSA-N 1 2 362.455 2.999 20 5 FFBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2ccc([N+](=O)[O-])[nH]2)c(C)c1 ZINC000441995200 513656126 /nfs/dbraw/zinc/65/61/26/513656126.db2.gz KATSXJFSNUSZFV-INIZCTEOSA-N 1 2 353.382 2.908 20 5 FFBDLO CC(C)(C)CC[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451372673 513708683 /nfs/dbraw/zinc/70/86/83/513708683.db2.gz YFBWFAVIXXMZQG-CQSZACIVSA-N 1 2 360.414 2.698 20 5 FFBDLO O=C(NCCn1cc[nH+]c1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436103942 513760893 /nfs/dbraw/zinc/76/08/93/513760893.db2.gz AZFGXIHJSSUAPF-UHFFFAOYSA-N 1 2 368.343 2.586 20 5 FFBDLO O=[N+]([O-])c1ccc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)cc1 ZINC000436264579 513811410 /nfs/dbraw/zinc/81/14/10/513811410.db2.gz VLKPFSYDSJCGAA-UXHICEINSA-N 1 2 353.422 2.680 20 5 FFBDLO O=[N+]([O-])c1ccc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)cc1 ZINC000436264579 513811414 /nfs/dbraw/zinc/81/14/14/513811414.db2.gz VLKPFSYDSJCGAA-UXHICEINSA-N 1 2 353.422 2.680 20 5 FFBDLO CC(C)[C@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000436276665 513815956 /nfs/dbraw/zinc/81/59/56/513815956.db2.gz UGFTVMQUJJOXCK-LBPRGKRZSA-N 1 2 362.352 2.777 20 5 FFBDLO O=C1[C@@H]([N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCN1CC(F)(F)F ZINC000451545953 513823010 /nfs/dbraw/zinc/82/30/10/513823010.db2.gz IDIMQXBCDIAGHE-ZFWWWQNUSA-N 1 2 371.359 2.937 20 5 FFBDLO O=C1[C@@H]([N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCN1CC(F)(F)F ZINC000451545953 513823016 /nfs/dbraw/zinc/82/30/16/513823016.db2.gz IDIMQXBCDIAGHE-ZFWWWQNUSA-N 1 2 371.359 2.937 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C(=O)OC(C)C)C(C)C ZINC000451596369 513856562 /nfs/dbraw/zinc/85/65/62/513856562.db2.gz SZXZCDSJZIXQCK-KRWDZBQOSA-N 1 2 365.430 2.798 20 5 FFBDLO Cn1c2cc(F)ccc2[nH+]c1N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000431422559 513895055 /nfs/dbraw/zinc/89/50/55/513895055.db2.gz PNXOHCXPJCMWIK-LBPRGKRZSA-N 1 2 356.361 2.706 20 5 FFBDLO O=C(C[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000451695453 513915802 /nfs/dbraw/zinc/91/58/02/513915802.db2.gz NLGHIKMQUZEHGO-DYEKYZERSA-N 1 2 367.833 2.670 20 5 FFBDLO O=C(C[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000451695453 513915803 /nfs/dbraw/zinc/91/58/03/513915803.db2.gz NLGHIKMQUZEHGO-DYEKYZERSA-N 1 2 367.833 2.670 20 5 FFBDLO O=C(C[N@@H+]1CCC[C@@]2(CCOC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000451900198 514056086 /nfs/dbraw/zinc/05/60/86/514056086.db2.gz LOJPWXNTOGIBSV-MRXNPFEDSA-N 1 2 353.806 2.689 20 5 FFBDLO O=C(C[N@H+]1CCC[C@@]2(CCOC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000451900198 514056093 /nfs/dbraw/zinc/05/60/93/514056093.db2.gz LOJPWXNTOGIBSV-MRXNPFEDSA-N 1 2 353.806 2.689 20 5 FFBDLO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436987881 514064016 /nfs/dbraw/zinc/06/40/16/514064016.db2.gz IYHTWXBHBQNNFW-UHFFFAOYSA-N 1 2 371.393 2.509 20 5 FFBDLO O=C(NCc1c[nH+]c[nH]1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444084751 514118698 /nfs/dbraw/zinc/11/86/98/514118698.db2.gz LEQSTBBOKZCPHI-UHFFFAOYSA-N 1 2 354.316 2.613 20 5 FFBDLO O=C(NCc1c[nH]c[nH+]1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444084751 514118706 /nfs/dbraw/zinc/11/87/06/514118706.db2.gz LEQSTBBOKZCPHI-UHFFFAOYSA-N 1 2 354.316 2.613 20 5 FFBDLO C[C@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)Cn1cc[nH+]c1 ZINC000444084113 514118923 /nfs/dbraw/zinc/11/89/23/514118923.db2.gz KNSQMFLLSUIICY-CQSZACIVSA-N 1 2 360.417 2.944 20 5 FFBDLO CCOc1cc(C[NH+]2CCN(c3ccc(OC)cn3)CC2)ccc1[N+](=O)[O-] ZINC000452057023 514167025 /nfs/dbraw/zinc/16/70/25/514167025.db2.gz KLVHBXIPQGDXIM-UHFFFAOYSA-N 1 2 372.425 2.719 20 5 FFBDLO C[C@@H](O)[C@@H]1C[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CCO1 ZINC000414593116 514197983 /nfs/dbraw/zinc/19/79/83/514197983.db2.gz QOVCFPPEDQVDSH-QRWLVFNGSA-N 1 2 371.437 2.944 20 5 FFBDLO C[C@@H](O)[C@@H]1C[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CCO1 ZINC000414593116 514197987 /nfs/dbraw/zinc/19/79/87/514197987.db2.gz QOVCFPPEDQVDSH-QRWLVFNGSA-N 1 2 371.437 2.944 20 5 FFBDLO CC1(C)C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]2COC[C@@H]21 ZINC000452113671 514199316 /nfs/dbraw/zinc/19/93/16/514199316.db2.gz IEWDYFCRXQBYCE-SMDDNHRTSA-N 1 2 353.806 2.544 20 5 FFBDLO CC1(C)C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]2COC[C@@H]21 ZINC000452113671 514199317 /nfs/dbraw/zinc/19/93/17/514199317.db2.gz IEWDYFCRXQBYCE-SMDDNHRTSA-N 1 2 353.806 2.544 20 5 FFBDLO O=C(NC[C@@H](CO)C1CCCCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452139951 514215175 /nfs/dbraw/zinc/21/51/75/514215175.db2.gz BCYFJWBQPHEHFZ-INIZCTEOSA-N 1 2 372.425 2.699 20 5 FFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCC[C@H]1CS(C)(=O)=O ZINC000449547701 514249071 /nfs/dbraw/zinc/24/90/71/514249071.db2.gz YJKDXPODKIPUKG-QXSWTLKVSA-N 1 2 352.456 2.897 20 5 FFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCC[C@H]1CS(C)(=O)=O ZINC000449547701 514249079 /nfs/dbraw/zinc/24/90/79/514249079.db2.gz YJKDXPODKIPUKG-QXSWTLKVSA-N 1 2 352.456 2.897 20 5 FFBDLO C[C@@H](C[NH+]1CCOCC1)N(C)c1ccc(Br)cc1[N+](=O)[O-] ZINC000432925261 514323766 /nfs/dbraw/zinc/32/37/66/514323766.db2.gz BEDPUXYWZQMXJN-NSHDSACASA-N 1 2 358.236 2.514 20 5 FFBDLO CCCC(O)(CCC)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449954846 514439817 /nfs/dbraw/zinc/43/98/17/514439817.db2.gz QLOMKCIEWSWBIL-UHFFFAOYSA-N 1 2 360.414 2.842 20 5 FFBDLO COc1ccc(OCC[NH2+][C@](C)(c2noc(C)n2)C2CC2)c([N+](=O)[O-])c1 ZINC000433323077 514458767 /nfs/dbraw/zinc/45/87/67/514458767.db2.gz UGOUQQRGNQGFGE-KRWDZBQOSA-N 1 2 362.386 2.589 20 5 FFBDLO CC(C)[C@H]1C[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCO1 ZINC000452807109 514501881 /nfs/dbraw/zinc/50/18/81/514501881.db2.gz FYXNQEGNFJGFFF-RDTXWAMCSA-N 1 2 372.425 2.962 20 5 FFBDLO Cc1c(CNC(=O)N2CC[NH+](Cc3ccco3)CC2)cccc1[N+](=O)[O-] ZINC000480064507 514829352 /nfs/dbraw/zinc/82/93/52/514829352.db2.gz WFEXOJFXQSEDKZ-UHFFFAOYSA-N 1 2 358.398 2.524 20 5 FFBDLO COc1cc(N2CC[NH+](Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)ncn1 ZINC000462079462 514869949 /nfs/dbraw/zinc/86/99/49/514869949.db2.gz MXIKWDGPXZDPAL-UHFFFAOYSA-N 1 2 371.441 2.839 20 5 FFBDLO O=[N+]([O-])c1cccc(S(=O)(=O)Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC000509147595 515046129 /nfs/dbraw/zinc/04/61/29/515046129.db2.gz VPVSYPAFICVDTM-UHFFFAOYSA-N 1 2 357.391 2.814 20 5 FFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000456351536 515119731 /nfs/dbraw/zinc/11/97/31/515119731.db2.gz BEBDTNJWIHOTIF-CQSZACIVSA-N 1 2 371.441 2.905 20 5 FFBDLO CN(CCc1cccc([N+](=O)[O-])c1)c1cc(N2CCSCC2)nc[nH+]1 ZINC000509474727 515195691 /nfs/dbraw/zinc/19/56/91/515195691.db2.gz AWXISCFLHUMGHD-UHFFFAOYSA-N 1 2 359.455 2.617 20 5 FFBDLO CN(CCc1cccc([N+](=O)[O-])c1)c1cc(N2CCSCC2)[nH+]cn1 ZINC000509474727 515195698 /nfs/dbraw/zinc/19/56/98/515195698.db2.gz AWXISCFLHUMGHD-UHFFFAOYSA-N 1 2 359.455 2.617 20 5 FFBDLO CN(C)c1[nH]c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2[nH+]1 ZINC000468025831 515201903 /nfs/dbraw/zinc/20/19/03/515201903.db2.gz KOTHTINEAQXDLU-UHFFFAOYSA-N 1 2 355.354 2.555 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(C(F)F)CC1 ZINC000486131002 515347090 /nfs/dbraw/zinc/34/70/90/515347090.db2.gz SOQVFACANYMMLO-JTQLQIEISA-N 1 2 357.357 2.908 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000459288901 515449741 /nfs/dbraw/zinc/44/97/41/515449741.db2.gz GIHRMSCBCJAMJQ-CQSZACIVSA-N 1 2 361.402 2.518 20 5 FFBDLO Cc1c(CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cccc1[N+](=O)[O-] ZINC000492071217 515497815 /nfs/dbraw/zinc/49/78/15/515497815.db2.gz UFFPOLAWDLCZCN-UHFFFAOYSA-N 1 2 366.381 2.865 20 5 FFBDLO COc1cc(C[NH2+][C@](C)(C(N)=O)c2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000492994745 515586547 /nfs/dbraw/zinc/58/65/47/515586547.db2.gz QBASKJXVRZDMED-KRWDZBQOSA-N 1 2 363.801 2.747 20 5 FFBDLO C[NH+](C)[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccccc1Cl ZINC000468930849 515588050 /nfs/dbraw/zinc/58/80/50/515588050.db2.gz MBUOJOFKWKYUEM-MRXNPFEDSA-N 1 2 363.801 2.987 20 5 FFBDLO COC[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000457042565 515603470 /nfs/dbraw/zinc/60/34/70/515603470.db2.gz NNJUNFYOQAHWBJ-CQSZACIVSA-N 1 2 358.398 2.669 20 5 FFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000459512542 515606629 /nfs/dbraw/zinc/60/66/29/515606629.db2.gz JZKCXBQHQVWOKG-STQMWFEESA-N 1 2 360.439 2.959 20 5 FFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000459512542 515606640 /nfs/dbraw/zinc/60/66/40/515606640.db2.gz JZKCXBQHQVWOKG-STQMWFEESA-N 1 2 360.439 2.959 20 5 FFBDLO COC(=O)c1cccc2c1CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)C2 ZINC000459552573 515642797 /nfs/dbraw/zinc/64/27/97/515642797.db2.gz ZVNXVFRFHFMBRC-UHFFFAOYSA-N 1 2 356.378 2.948 20 5 FFBDLO COC(=O)c1cccc2c1CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)C2 ZINC000459552573 515642806 /nfs/dbraw/zinc/64/28/06/515642806.db2.gz ZVNXVFRFHFMBRC-UHFFFAOYSA-N 1 2 356.378 2.948 20 5 FFBDLO COC(=O)c1ccc(F)c(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000511109799 515785959 /nfs/dbraw/zinc/78/59/59/515785959.db2.gz LJGFFPYSMAQMML-UHFFFAOYSA-N 1 2 373.384 2.843 20 5 FFBDLO CCn1cc(C[N@H+](CCO)Cc2cc([N+](=O)[O-])ccc2OC(C)C)cn1 ZINC000482870593 515831827 /nfs/dbraw/zinc/83/18/27/515831827.db2.gz FOMPHBJDHVWOEZ-UHFFFAOYSA-N 1 2 362.430 2.593 20 5 FFBDLO CCn1cc(C[N@@H+](CCO)Cc2cc([N+](=O)[O-])ccc2OC(C)C)cn1 ZINC000482870593 515831839 /nfs/dbraw/zinc/83/18/39/515831839.db2.gz FOMPHBJDHVWOEZ-UHFFFAOYSA-N 1 2 362.430 2.593 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000511390699 515888350 /nfs/dbraw/zinc/88/83/50/515888350.db2.gz KHAHIRSYXNWVFH-IBGZPJMESA-N 1 2 369.421 2.707 20 5 FFBDLO Cc1cc(NC[C@H](CO)c2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000487673917 515941938 /nfs/dbraw/zinc/94/19/38/515941938.db2.gz JPFMWYPKBBNYMI-QGZVFWFLSA-N 1 2 364.405 2.970 20 5 FFBDLO CCN1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@@H]1c1[nH]cc[nH+]1 ZINC000487725360 515955694 /nfs/dbraw/zinc/95/56/94/515955694.db2.gz QGHNLHNNYIWHRC-MRXNPFEDSA-N 1 2 352.398 2.749 20 5 FFBDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCO1 ZINC000470148395 516145122 /nfs/dbraw/zinc/14/51/22/516145122.db2.gz UWGBIMLPVAPGCW-NHYWBVRUSA-N 1 2 363.349 2.509 20 5 FFBDLO CC[C@H](C)NC(=O)CN1CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000470179413 516165785 /nfs/dbraw/zinc/16/57/85/516165785.db2.gz XGNMNXWPVPDNIW-MOKGIYGOSA-N 1 2 374.485 2.530 20 5 FFBDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000474915344 516233593 /nfs/dbraw/zinc/23/35/93/516233593.db2.gz RGZLTEBVVYGBNQ-UHFFFAOYSA-N 1 2 360.320 2.848 20 5 FFBDLO O=[N+]([O-])c1cccc(F)c1N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000561098650 516376943 /nfs/dbraw/zinc/37/69/43/516376943.db2.gz DAZXYKMGBIJFKT-UHFFFAOYSA-N 1 2 355.373 2.704 20 5 FFBDLO O=C(C[N@@H+]1CC[C@H](COC(F)F)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000512827256 516377055 /nfs/dbraw/zinc/37/70/55/516377055.db2.gz JFYZWBXFWGZRQI-VIFPVBQESA-N 1 2 363.748 2.748 20 5 FFBDLO O=C(C[N@H+]1CC[C@H](COC(F)F)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000512827256 516377061 /nfs/dbraw/zinc/37/70/61/516377061.db2.gz JFYZWBXFWGZRQI-VIFPVBQESA-N 1 2 363.748 2.748 20 5 FFBDLO C[C@H]1C[NH+](Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)c2)C[C@H](C)O1 ZINC000523128955 516393979 /nfs/dbraw/zinc/39/39/79/516393979.db2.gz AMEVIWHJLJGGMZ-STQMWFEESA-N 1 2 358.398 2.784 20 5 FFBDLO CNc1nccc(C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)c1[N+](=O)[O-] ZINC000561206447 516452149 /nfs/dbraw/zinc/45/21/49/516452149.db2.gz LAFKUTCUCRHLFU-UHFFFAOYSA-N 1 2 366.381 2.850 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](c3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000518393260 516642264 /nfs/dbraw/zinc/64/22/64/516642264.db2.gz BOYLYUNIKJQDQT-OAHLLOKOSA-N 1 2 370.409 2.817 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](c3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000518393260 516642268 /nfs/dbraw/zinc/64/22/68/516642268.db2.gz BOYLYUNIKJQDQT-OAHLLOKOSA-N 1 2 370.409 2.817 20 5 FFBDLO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000518433852 516658213 /nfs/dbraw/zinc/65/82/13/516658213.db2.gz RZNCZIVXBRKUOY-UHFFFAOYSA-N 1 2 373.319 2.694 20 5 FFBDLO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000559094257 517079079 /nfs/dbraw/zinc/07/90/79/517079079.db2.gz GKLPEUFCGILWDE-CYBMUJFWSA-N 1 2 372.347 2.603 20 5 FFBDLO O=C1NCCN1[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000559094257 517079084 /nfs/dbraw/zinc/07/90/84/517079084.db2.gz GKLPEUFCGILWDE-CYBMUJFWSA-N 1 2 372.347 2.603 20 5 FFBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000555739603 517095470 /nfs/dbraw/zinc/09/54/70/517095470.db2.gz CMAFFBDGRJIKSJ-INIZCTEOSA-N 1 2 373.453 2.844 20 5 FFBDLO COc1ncc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1Cl ZINC000532778004 517140373 /nfs/dbraw/zinc/14/03/73/517140373.db2.gz ZIWOSDJZJKSLCF-GFCCVEGCSA-N 1 2 363.805 2.733 20 5 FFBDLO COc1ncc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1Cl ZINC000532778004 517140379 /nfs/dbraw/zinc/14/03/79/517140379.db2.gz ZIWOSDJZJKSLCF-GFCCVEGCSA-N 1 2 363.805 2.733 20 5 FFBDLO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC(n2cc[nH+]c2)CC1 ZINC000520311654 517341038 /nfs/dbraw/zinc/34/10/38/517341038.db2.gz SWNRWGMBSIFILD-UHFFFAOYSA-N 1 2 367.365 2.522 20 5 FFBDLO CCOCC[N@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000537853358 517380171 /nfs/dbraw/zinc/38/01/71/517380171.db2.gz JFVHWPKAXUOWCF-UHFFFAOYSA-N 1 2 364.427 2.625 20 5 FFBDLO CCOCC[N@@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000537853358 517380179 /nfs/dbraw/zinc/38/01/79/517380179.db2.gz JFVHWPKAXUOWCF-UHFFFAOYSA-N 1 2 364.427 2.625 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000515818928 517486564 /nfs/dbraw/zinc/48/65/64/517486564.db2.gz PHUJQMUZJVBOCD-INIZCTEOSA-N 1 2 356.382 2.774 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000515818928 517486575 /nfs/dbraw/zinc/48/65/75/517486575.db2.gz PHUJQMUZJVBOCD-INIZCTEOSA-N 1 2 356.382 2.774 20 5 FFBDLO O=C(NC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1)c1ccc(F)cc1 ZINC000549342677 517520220 /nfs/dbraw/zinc/52/02/20/517520220.db2.gz QSYUHMCOHRZAGS-UHFFFAOYSA-N 1 2 373.384 2.834 20 5 FFBDLO CCc1noc(C)c1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000516094543 517563293 /nfs/dbraw/zinc/56/32/93/517563293.db2.gz RSCGNOAZZNGMNS-UHFFFAOYSA-N 1 2 360.414 2.898 20 5 FFBDLO Cn1c(CCCNc2cccc(C(N)=O)c2[N+](=O)[O-])[nH+]c2ccccc21 ZINC000553486818 517741245 /nfs/dbraw/zinc/74/12/45/517741245.db2.gz YOVLPXHVWZEUOX-UHFFFAOYSA-N 1 2 353.382 2.625 20 5 FFBDLO Cc1c(NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000546794046 517861689 /nfs/dbraw/zinc/86/16/89/517861689.db2.gz MKCIRDUNJCROGD-UHFFFAOYSA-N 1 2 372.406 2.949 20 5 FFBDLO Cc1nnc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000546811562 517868719 /nfs/dbraw/zinc/86/87/19/517868719.db2.gz SESPJGBLYTYQSA-ZETCQYMHSA-N 1 2 355.807 2.697 20 5 FFBDLO Cn1cc[nH+]c1CN1CCC[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1=O ZINC000543049254 517880796 /nfs/dbraw/zinc/88/07/96/517880796.db2.gz UZYHSNJAPBYERL-CYBMUJFWSA-N 1 2 363.805 2.585 20 5 FFBDLO CN(CC[NH+]1CCN(c2ccccc2)CC1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000560559728 517895329 /nfs/dbraw/zinc/89/53/29/517895329.db2.gz XDNCWSCWLLILJU-UHFFFAOYSA-N 1 2 370.453 2.554 20 5 FFBDLO O=[N+]([O-])c1cccc2ncnc(NCc3cc[nH+]c(N4CCCC4)c3)c21 ZINC000543436902 518091246 /nfs/dbraw/zinc/09/12/46/518091246.db2.gz NTMGPJBSMRMTJG-UHFFFAOYSA-N 1 2 350.382 2.567 20 5 FFBDLO O=C(c1cc(-n2cc[nH+]c2)ccn1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000539789235 518161187 /nfs/dbraw/zinc/16/11/87/518161187.db2.gz SORILHKBVXBDPO-UHFFFAOYSA-N 1 2 363.377 2.980 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CC1 ZINC000569835696 518317170 /nfs/dbraw/zinc/31/71/70/518317170.db2.gz XIVMHARWJCQTSS-MRXNPFEDSA-N 1 2 355.398 2.784 20 5 FFBDLO CN(C)c1ccccc1C[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000584433624 518338829 /nfs/dbraw/zinc/33/88/29/518338829.db2.gz JHZURGUSMSQUCD-UHFFFAOYSA-N 1 2 356.426 2.756 20 5 FFBDLO CN(C)c1ccccc1C[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000584433624 518338832 /nfs/dbraw/zinc/33/88/32/518338832.db2.gz JHZURGUSMSQUCD-UHFFFAOYSA-N 1 2 356.426 2.756 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000578906781 518432061 /nfs/dbraw/zinc/43/20/61/518432061.db2.gz PKTIURQUSPCZTP-UHFFFAOYSA-N 1 2 353.382 2.894 20 5 FFBDLO O=C(NC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000567371401 518490449 /nfs/dbraw/zinc/49/04/49/518490449.db2.gz WZMQWGVULCHBGQ-UHFFFAOYSA-N 1 2 355.394 2.695 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC(F)(F)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000582209746 518638078 /nfs/dbraw/zinc/63/80/78/518638078.db2.gz DSSCQOLBTSBCPT-GHMZBOCLSA-N 1 2 357.357 2.908 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC(F)(F)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000582209746 518638084 /nfs/dbraw/zinc/63/80/84/518638084.db2.gz DSSCQOLBTSBCPT-GHMZBOCLSA-N 1 2 357.357 2.908 20 5 FFBDLO O=C(CCC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000590629389 519295220 /nfs/dbraw/zinc/29/52/20/519295220.db2.gz ZHENYOABIAXVFT-INIZCTEOSA-N 1 2 356.382 2.618 20 5 FFBDLO O=[N+]([O-])c1ccc([C@H]2CCCN(c3cc(-n4cc[nH+]c4)ncn3)C2)cc1 ZINC000590717393 519331812 /nfs/dbraw/zinc/33/18/12/519331812.db2.gz BKJYFCMETHFEOR-HNNXBMFYSA-N 1 2 350.382 2.955 20 5 FFBDLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590775036 519362121 /nfs/dbraw/zinc/36/21/21/519362121.db2.gz OJPNPBJGIBERJE-HOTGVXAUSA-N 1 2 354.410 2.760 20 5 FFBDLO Cc1c(Br)cc(C(=O)N2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000599951981 519970618 /nfs/dbraw/zinc/97/06/18/519970618.db2.gz JVYKSVBMFKCOSR-UHFFFAOYSA-N 1 2 365.187 2.587 20 5 FFBDLO Cc1c(Br)cc(C(=O)N2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000599951981 519970619 /nfs/dbraw/zinc/97/06/19/519970619.db2.gz JVYKSVBMFKCOSR-UHFFFAOYSA-N 1 2 365.187 2.587 20 5 FFBDLO CCn1nc(C)c(C[N@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1C ZINC000602925981 519975732 /nfs/dbraw/zinc/97/57/32/519975732.db2.gz MMHQFPRGHLYFSF-CQSZACIVSA-N 1 2 359.430 2.887 20 5 FFBDLO CCn1nc(C)c(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1C ZINC000602925981 519975739 /nfs/dbraw/zinc/97/57/39/519975739.db2.gz MMHQFPRGHLYFSF-CQSZACIVSA-N 1 2 359.430 2.887 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2nnn(C3CC(C)C3)c2C1 ZINC000602986886 520006726 /nfs/dbraw/zinc/00/67/26/520006726.db2.gz SOQFXWRMMKFUAB-UHFFFAOYSA-N 1 2 357.414 2.724 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2nnn(C3CC(C)C3)c2C1 ZINC000602986886 520006734 /nfs/dbraw/zinc/00/67/34/520006734.db2.gz SOQFXWRMMKFUAB-UHFFFAOYSA-N 1 2 357.414 2.724 20 5 FFBDLO CC[NH+](CC)Cc1csc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000594582599 520037129 /nfs/dbraw/zinc/03/71/29/520037129.db2.gz MTQDSKXNTSXIQT-UHFFFAOYSA-N 1 2 370.456 2.694 20 5 FFBDLO Cc1c[nH+]c(CCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c(C)c1 ZINC000594594932 520042800 /nfs/dbraw/zinc/04/28/00/520042800.db2.gz BPULKQOHLTZTGI-UHFFFAOYSA-N 1 2 355.441 2.726 20 5 FFBDLO COC(=O)c1conc1C(C)(C)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000591857147 520062767 /nfs/dbraw/zinc/06/27/67/520062767.db2.gz TZCAHEIKELHKEW-UHFFFAOYSA-N 1 2 363.370 2.663 20 5 FFBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000609029537 520180573 /nfs/dbraw/zinc/18/05/73/520180573.db2.gz WIGHNTXLHBIHHW-GFCCVEGCSA-N 1 2 359.407 2.760 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H](n4ccnc4)C3)n2)c1 ZINC000609157489 520213584 /nfs/dbraw/zinc/21/35/84/520213584.db2.gz VLQPOAVHVNSNBZ-OAHLLOKOSA-N 1 2 354.370 2.678 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H](n4ccnc4)C3)n2)c1 ZINC000609157489 520213591 /nfs/dbraw/zinc/21/35/91/520213591.db2.gz VLQPOAVHVNSNBZ-OAHLLOKOSA-N 1 2 354.370 2.678 20 5 FFBDLO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)c2ccc(F)cc2F)c2c(c1)COCO2 ZINC000594997126 520249576 /nfs/dbraw/zinc/24/95/76/520249576.db2.gz YBLHIBQMQGYSRM-MRXNPFEDSA-N 1 2 366.320 2.563 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccccc1S(C)(=O)=O ZINC000595051220 520270605 /nfs/dbraw/zinc/27/06/05/520270605.db2.gz LSYQBEMIUYVXFL-GFCCVEGCSA-N 1 2 364.423 2.858 20 5 FFBDLO O=C1C[C@@H]([N@@H+]2CCCc3sccc3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000609323694 520278394 /nfs/dbraw/zinc/27/83/94/520278394.db2.gz SAOKTFSMPZYKOK-OAHLLOKOSA-N 1 2 371.418 2.737 20 5 FFBDLO O=C1C[C@@H]([N@H+]2CCCc3sccc3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000609323694 520278398 /nfs/dbraw/zinc/27/83/98/520278398.db2.gz SAOKTFSMPZYKOK-OAHLLOKOSA-N 1 2 371.418 2.737 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(C)(C)CO ZINC000597848056 520278408 /nfs/dbraw/zinc/27/84/08/520278408.db2.gz SCQRZSDLEZVZHA-HNNXBMFYSA-N 1 2 372.381 2.564 20 5 FFBDLO CC1(C(=O)CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCC1 ZINC000600485908 520288573 /nfs/dbraw/zinc/28/85/73/520288573.db2.gz AIXZNSCFYOWMCS-UHFFFAOYSA-N 1 2 356.382 2.660 20 5 FFBDLO C[C@H]1CCCN(c2ccc(C(=O)N(C)Cc3c[nH+]c[nH]3)cc2[N+](=O)[O-])C1 ZINC000597864114 520290156 /nfs/dbraw/zinc/29/01/56/520290156.db2.gz NHILZUYZWWFKTE-ZDUSSCGKSA-N 1 2 357.414 2.826 20 5 FFBDLO C[C@H]1CCCN(c2ccc(C(=O)N(C)Cc3c[nH]c[nH+]3)cc2[N+](=O)[O-])C1 ZINC000597864114 520290171 /nfs/dbraw/zinc/29/01/71/520290171.db2.gz NHILZUYZWWFKTE-ZDUSSCGKSA-N 1 2 357.414 2.826 20 5 FFBDLO O=C(c1ccccc1)c1ccc(-n2c[nH+]c(CCCO)c2)c([N+](=O)[O-])c1 ZINC000609494765 520333803 /nfs/dbraw/zinc/33/38/03/520333803.db2.gz PTPXFXOTTBLBSD-UHFFFAOYSA-N 1 2 351.362 2.936 20 5 FFBDLO CCCC(=O)NC1CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000603682505 520341830 /nfs/dbraw/zinc/34/18/30/520341830.db2.gz WWZRMPCGWQCCCV-UHFFFAOYSA-N 1 2 373.413 2.526 20 5 FFBDLO Cc1noc(C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000595359614 520429308 /nfs/dbraw/zinc/42/93/08/520429308.db2.gz OUOJMFBDFWQBOL-UHFFFAOYSA-N 1 2 359.386 2.677 20 5 FFBDLO Cn1cc([C@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)C2(CO)CCC2)cn1 ZINC000595491951 520504911 /nfs/dbraw/zinc/50/49/11/520504911.db2.gz FNCHKOVKQJTQJV-INIZCTEOSA-N 1 2 366.368 2.600 20 5 FFBDLO O=C1C[C@H]([N@@H+]2CCC[C@@H](C(F)(F)F)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000600883767 520513542 /nfs/dbraw/zinc/51/35/42/520513542.db2.gz BAFVYBNZITZUMN-MFKMUULPSA-N 1 2 371.315 2.501 20 5 FFBDLO O=C1C[C@H]([N@H+]2CCC[C@@H](C(F)(F)F)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000600883767 520513551 /nfs/dbraw/zinc/51/35/51/520513551.db2.gz BAFVYBNZITZUMN-MFKMUULPSA-N 1 2 371.315 2.501 20 5 FFBDLO COc1cc(C(=O)NCCc2cn3c(cccc3C)[nH+]2)cc([N+](=O)[O-])c1C ZINC000592745533 520555000 /nfs/dbraw/zinc/55/50/00/520555000.db2.gz IGJIXDIFESGOLB-UHFFFAOYSA-N 1 2 368.393 2.840 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000610151027 520560622 /nfs/dbraw/zinc/56/06/22/520560622.db2.gz HRMDGWFQKYLFDU-SFHVURJKSA-N 1 2 355.394 2.743 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000610151027 520560627 /nfs/dbraw/zinc/56/06/27/520560627.db2.gz HRMDGWFQKYLFDU-SFHVURJKSA-N 1 2 355.394 2.743 20 5 FFBDLO COc1cc(CN(C)Cc2c[nH+]c[nH]2)c([N+](=O)[O-])cc1OCC(F)F ZINC000595593326 520576901 /nfs/dbraw/zinc/57/69/01/520576901.db2.gz VBHZQZDQBPXQDG-UHFFFAOYSA-N 1 2 356.329 2.602 20 5 FFBDLO COc1cc(CN(C)Cc2c[nH]c[nH+]2)c([N+](=O)[O-])cc1OCC(F)F ZINC000595593326 520576906 /nfs/dbraw/zinc/57/69/06/520576906.db2.gz VBHZQZDQBPXQDG-UHFFFAOYSA-N 1 2 356.329 2.602 20 5 FFBDLO C[C@](CO)([NH2+]Cc1ccncc1Br)c1cccc([N+](=O)[O-])c1 ZINC000601149083 520658948 /nfs/dbraw/zinc/65/89/48/520658948.db2.gz IIDKJWJZEXISSU-OAHLLOKOSA-N 1 2 366.215 2.750 20 5 FFBDLO O=[N+]([O-])c1ccccc1NCc1ccc(C[NH+]2CCS(=O)CC2)cc1 ZINC000601178091 520674153 /nfs/dbraw/zinc/67/41/53/520674153.db2.gz LAZQGGVHEWFPKW-UHFFFAOYSA-N 1 2 359.451 2.771 20 5 FFBDLO O=C1CCCC12CC[NH+]([C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000595815017 520742813 /nfs/dbraw/zinc/74/28/13/520742813.db2.gz CPLDGOLNNHHRFJ-INIZCTEOSA-N 1 2 357.410 2.535 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595821773 520745316 /nfs/dbraw/zinc/74/53/16/520745316.db2.gz FUTGUSUYUWCFHI-ZDUSSCGKSA-N 1 2 359.426 2.813 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595821773 520745324 /nfs/dbraw/zinc/74/53/24/520745324.db2.gz FUTGUSUYUWCFHI-ZDUSSCGKSA-N 1 2 359.426 2.813 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c([N+](=O)[O-])c1 ZINC000593119403 520758433 /nfs/dbraw/zinc/75/84/33/520758433.db2.gz XVPKUNUOVNPDQM-OAHLLOKOSA-N 1 2 355.341 2.663 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@]3(CC3(F)F)C2)c([N+](=O)[O-])c1 ZINC000593119403 520758437 /nfs/dbraw/zinc/75/84/37/520758437.db2.gz XVPKUNUOVNPDQM-OAHLLOKOSA-N 1 2 355.341 2.663 20 5 FFBDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000601685401 520905740 /nfs/dbraw/zinc/90/57/40/520905740.db2.gz ZTNOQURPRSGGIA-CQSZACIVSA-N 1 2 373.384 2.747 20 5 FFBDLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000601685401 520905745 /nfs/dbraw/zinc/90/57/45/520905745.db2.gz ZTNOQURPRSGGIA-CQSZACIVSA-N 1 2 373.384 2.747 20 5 FFBDLO C[C@@H](C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000601730054 520922356 /nfs/dbraw/zinc/92/23/56/520922356.db2.gz UBNGNTWQACHNNB-OAHLLOKOSA-N 1 2 369.421 2.748 20 5 FFBDLO Cc1cc(C)c(C(=O)NC2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)o1 ZINC000598927736 520922624 /nfs/dbraw/zinc/92/26/24/520922624.db2.gz RKKMRFYNHJQCRX-UHFFFAOYSA-N 1 2 373.409 2.905 20 5 FFBDLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000598950264 520938576 /nfs/dbraw/zinc/93/85/76/520938576.db2.gz PUDZXIAQIQSXQW-JTQLQIEISA-N 1 2 354.288 2.555 20 5 FFBDLO Cc1cc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cc([N+](=O)[O-])c1 ZINC000601851297 520986854 /nfs/dbraw/zinc/98/68/54/520986854.db2.gz KNUUUWGYBDGTEO-UHFFFAOYSA-N 1 2 372.450 2.781 20 5 FFBDLO O=C([C@@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1)N1CCCC1 ZINC000599043906 520996567 /nfs/dbraw/zinc/99/65/67/520996567.db2.gz OKGRMJPDYLMZON-OAHLLOKOSA-N 1 2 354.410 2.982 20 5 FFBDLO CCN1C(=O)N=NC1C1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599083227 521021657 /nfs/dbraw/zinc/02/16/57/521021657.db2.gz VZEKPSCHHXRPQY-UHFFFAOYSA-N 1 2 368.397 2.844 20 5 FFBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCn2c(nnc2-c2cccnc2)C1 ZINC000611274853 521076382 /nfs/dbraw/zinc/07/63/82/521076382.db2.gz WAJCVGJMMMWKCD-DAXSKMNVSA-N 1 2 362.393 2.777 20 5 FFBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCn2c(nnc2-c2cccnc2)C1 ZINC000611274853 521076392 /nfs/dbraw/zinc/07/63/92/521076392.db2.gz WAJCVGJMMMWKCD-DAXSKMNVSA-N 1 2 362.393 2.777 20 5 FFBDLO CC[C@@H]1C[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)[C@H](CC)CO1 ZINC000593661144 521138126 /nfs/dbraw/zinc/13/81/26/521138126.db2.gz JSGKARDXDXQTNG-HUUCEWRRSA-N 1 2 366.414 2.536 20 5 FFBDLO CC[C@@H]1C[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)[C@H](CC)CO1 ZINC000593661144 521138132 /nfs/dbraw/zinc/13/81/32/521138132.db2.gz JSGKARDXDXQTNG-HUUCEWRRSA-N 1 2 366.414 2.536 20 5 FFBDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NCCc2ccccc2[N+](=O)[O-])cc1 ZINC000602110713 521148241 /nfs/dbraw/zinc/14/82/41/521148241.db2.gz PZQCKZBFLCARJL-IBGZPJMESA-N 1 2 369.421 2.537 20 5 FFBDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)NCCc2ccccc2[N+](=O)[O-])cc1 ZINC000602110713 521148249 /nfs/dbraw/zinc/14/82/49/521148249.db2.gz PZQCKZBFLCARJL-IBGZPJMESA-N 1 2 369.421 2.537 20 5 FFBDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)CC2 ZINC000599575346 521308407 /nfs/dbraw/zinc/30/84/07/521308407.db2.gz BIFKWPKUFIWWOG-KBXCAEBGSA-N 1 2 372.450 2.936 20 5 FFBDLO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602442031 521349132 /nfs/dbraw/zinc/34/91/32/521349132.db2.gz IXLNLJMCSBEGOR-YUMQZZPRSA-N 1 2 362.249 2.505 20 5 FFBDLO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602442031 521349135 /nfs/dbraw/zinc/34/91/35/521349135.db2.gz IXLNLJMCSBEGOR-YUMQZZPRSA-N 1 2 362.249 2.505 20 5 FFBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH+]1CCN(c2cccnn2)CC1 ZINC000602464892 521361452 /nfs/dbraw/zinc/36/14/52/521361452.db2.gz OURXKWIADWORDK-UHFFFAOYSA-N 1 2 367.331 2.726 20 5 FFBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000602484631 521373959 /nfs/dbraw/zinc/37/39/59/521373959.db2.gz KZEPGDLWOMTYBJ-HUUCEWRRSA-N 1 2 360.332 2.993 20 5 FFBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000602484631 521373962 /nfs/dbraw/zinc/37/39/62/521373962.db2.gz KZEPGDLWOMTYBJ-HUUCEWRRSA-N 1 2 360.332 2.993 20 5 FFBDLO CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@@H]1CCCCO1 ZINC000594179276 521453087 /nfs/dbraw/zinc/45/30/87/521453087.db2.gz WZGVQVGLVUFHDN-YOEHRIQHSA-N 1 2 358.398 2.858 20 5 FFBDLO C[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F ZINC000602814644 521549585 /nfs/dbraw/zinc/54/95/85/521549585.db2.gz LONYIMBEIJRBCX-VIFPVBQESA-N 1 2 350.329 2.924 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000619434211 521565835 /nfs/dbraw/zinc/56/58/35/521565835.db2.gz DKDROZWVFKVXEA-SFHVURJKSA-N 1 2 350.415 2.763 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000619434211 521565837 /nfs/dbraw/zinc/56/58/37/521565837.db2.gz DKDROZWVFKVXEA-SFHVURJKSA-N 1 2 350.415 2.763 20 5 FFBDLO Cc1cccn2cc(CCNC(=O)COc3ccc([N+](=O)[O-])c(C)c3)[nH+]c12 ZINC000619529313 521754833 /nfs/dbraw/zinc/75/48/33/521754833.db2.gz JFROXYROYCDAOC-UHFFFAOYSA-N 1 2 368.393 2.597 20 5 FFBDLO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000619777526 521866433 /nfs/dbraw/zinc/86/64/33/521866433.db2.gz FQFIGQOBOHSWBO-MRXNPFEDSA-N 1 2 359.813 2.964 20 5 FFBDLO O=[N+]([O-])c1cnc(N2CC[NH+](CCOc3ccccc3)CC2)c(Cl)c1 ZINC000301296659 721952190 /nfs/dbraw/zinc/95/21/90/721952190.db2.gz XZZBJMABGKAIHE-UHFFFAOYSA-N 1 2 362.817 2.844 20 5 FFBDLO CC(C)(CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000898904031 735421142 /nfs/dbraw/zinc/42/11/42/735421142.db2.gz OKKQRGJWWNENJI-UHFFFAOYSA-N 1 2 367.203 2.719 20 5 FFBDLO CN(C)c1cccc(C[N@H+](C)Cn2cc(Br)c([N+](=O)[O-])n2)c1 ZINC000120619831 728613360 /nfs/dbraw/zinc/61/33/60/728613360.db2.gz MEBCCPBMPNNPAW-UHFFFAOYSA-N 1 2 368.235 2.709 20 5 FFBDLO CN(C)c1cccc(C[N@@H+](C)Cn2cc(Br)c([N+](=O)[O-])n2)c1 ZINC000120619831 728613361 /nfs/dbraw/zinc/61/33/61/728613361.db2.gz MEBCCPBMPNNPAW-UHFFFAOYSA-N 1 2 368.235 2.709 20 5 FFBDLO CCS[C@@H]1CC[C@H]([N@H+](C)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000173486577 729048389 /nfs/dbraw/zinc/04/83/89/729048389.db2.gz VEIPWTXIVKNYSG-NWDGAFQWSA-N 1 2 363.439 2.754 20 5 FFBDLO CCS[C@@H]1CC[C@H]([N@@H+](C)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000173486577 729048393 /nfs/dbraw/zinc/04/83/93/729048393.db2.gz VEIPWTXIVKNYSG-NWDGAFQWSA-N 1 2 363.439 2.754 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000444668965 729877145 /nfs/dbraw/zinc/87/71/45/729877145.db2.gz CZXGCRITRIOLME-CYBMUJFWSA-N 1 2 360.439 2.827 20 5 FFBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857977975 730415158 /nfs/dbraw/zinc/41/51/58/730415158.db2.gz KBBZMGVSKWBUCG-GFCCVEGCSA-N 1 2 365.187 2.737 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3CCO[C@H](C(F)F)CC3)c2)c1 ZINC000872681424 731813298 /nfs/dbraw/zinc/81/32/98/731813298.db2.gz RDRNCSABKFSNDB-HNNXBMFYSA-N 1 2 352.341 2.772 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2cnn(C[N@H+]3CCO[C@H](C(F)F)CC3)c2)c1 ZINC000872681424 731813304 /nfs/dbraw/zinc/81/33/04/731813304.db2.gz RDRNCSABKFSNDB-HNNXBMFYSA-N 1 2 352.341 2.772 20 5 FFBDLO C[C@](CO)([NH2+]Cc1cccc(Br)n1)c1cccc([N+](=O)[O-])c1 ZINC000879272130 732676347 /nfs/dbraw/zinc/67/63/47/732676347.db2.gz KZDAZAUYVGYBEH-OAHLLOKOSA-N 1 2 366.215 2.750 20 5 FFBDLO CC(C)(O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000879961168 732809485 /nfs/dbraw/zinc/80/94/85/732809485.db2.gz ADTRAPVFOPHXJV-LLVKDONJSA-N 1 2 355.822 2.670 20 5 FFBDLO CC(C)(O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000879961168 732809488 /nfs/dbraw/zinc/80/94/88/732809488.db2.gz ADTRAPVFOPHXJV-LLVKDONJSA-N 1 2 355.822 2.670 20 5 FFBDLO COC(=O)c1cnc(C2CC[NH+](Cc3cccnc3[N+](=O)[O-])CC2)s1 ZINC000886297516 733771207 /nfs/dbraw/zinc/77/12/07/733771207.db2.gz UCGUQNFSSWLEKR-UHFFFAOYSA-N 1 2 362.411 2.613 20 5 FFBDLO COc1cc([N+](=O)[O-])cnc1NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000894977212 734946921 /nfs/dbraw/zinc/94/69/21/734946921.db2.gz IAQSXFWISQXRRP-UHFFFAOYSA-N 1 2 361.427 2.559 20 5 FFBDLO Cc1ccc(N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)c([N+](=O)[O-])c1Br ZINC000895246307 734980339 /nfs/dbraw/zinc/98/03/39/734980339.db2.gz MWCVBCVQPKMANI-DGCLKSJQSA-N 1 2 371.279 2.712 20 5 FFBDLO Cc1ccc(N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)c([N+](=O)[O-])c1Br ZINC000895246307 734980341 /nfs/dbraw/zinc/98/03/41/734980341.db2.gz MWCVBCVQPKMANI-DGCLKSJQSA-N 1 2 371.279 2.712 20 5 FFBDLO Cc1ccc(N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)c([N+](=O)[O-])c1Br ZINC000895246308 734980661 /nfs/dbraw/zinc/98/06/61/734980661.db2.gz MWCVBCVQPKMANI-WCQYABFASA-N 1 2 371.279 2.712 20 5 FFBDLO Cc1ccc(N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)c([N+](=O)[O-])c1Br ZINC000895246308 734980665 /nfs/dbraw/zinc/98/06/65/734980665.db2.gz MWCVBCVQPKMANI-WCQYABFASA-N 1 2 371.279 2.712 20 5 FFBDLO CC(C)(C)[C@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1O ZINC000754232756 736138431 /nfs/dbraw/zinc/13/84/31/736138431.db2.gz HUPDMLIDWGRMGX-SWLSCSKDSA-N 1 2 369.849 2.916 20 5 FFBDLO CC(C)(C)[C@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1O ZINC000754232756 736138434 /nfs/dbraw/zinc/13/84/34/736138434.db2.gz HUPDMLIDWGRMGX-SWLSCSKDSA-N 1 2 369.849 2.916 20 5 FFBDLO O=C(NCc1ccn2cc[nH+]c2c1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000762053024 736788269 /nfs/dbraw/zinc/78/82/69/736788269.db2.gz LHWSJZNTCAVJSZ-UHFFFAOYSA-N 1 2 359.773 2.895 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(F)(C2CC2)CC1 ZINC000932630123 739481156 /nfs/dbraw/zinc/48/11/56/739481156.db2.gz DMHDSHCQCBBULB-UHFFFAOYSA-N 1 2 351.378 2.756 20 5 FFBDLO O=[N+]([O-])c1cc(-c2nc(Cc3cncs3)no2)ccc1-n1cc[nH+]c1 ZINC000796132799 740105407 /nfs/dbraw/zinc/10/54/07/740105407.db2.gz QGNMNQLWPSKJOM-UHFFFAOYSA-N 1 2 354.351 2.878 20 5 FFBDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000796294852 740128312 /nfs/dbraw/zinc/12/83/12/740128312.db2.gz ROEYYDCQIVGJBR-CYBMUJFWSA-N 1 2 350.268 2.661 20 5 FFBDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000796294852 740128313 /nfs/dbraw/zinc/12/83/13/740128313.db2.gz ROEYYDCQIVGJBR-CYBMUJFWSA-N 1 2 350.268 2.661 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H]1COC(=O)N(C)C ZINC000796550268 740152519 /nfs/dbraw/zinc/15/25/19/740152519.db2.gz WCRCELWUHKNKEG-HNNXBMFYSA-N 1 2 351.403 2.656 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@H]1COC(=O)N(C)C ZINC000796550268 740152522 /nfs/dbraw/zinc/15/25/22/740152522.db2.gz WCRCELWUHKNKEG-HNNXBMFYSA-N 1 2 351.403 2.656 20 5 FFBDLO CC1=C(Br)C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000797526941 740253606 /nfs/dbraw/zinc/25/36/06/740253606.db2.gz FIUCWDOKFRXLTF-GFCCVEGCSA-N 1 2 371.231 2.709 20 5 FFBDLO CC1=C(Br)C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000797526941 740253608 /nfs/dbraw/zinc/25/36/08/740253608.db2.gz FIUCWDOKFRXLTF-GFCCVEGCSA-N 1 2 371.231 2.709 20 5 FFBDLO O=[N+]([O-])c1ccc(Cl)cc1Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000804429164 740872311 /nfs/dbraw/zinc/87/23/11/740872311.db2.gz FVJBUPDCBMSFRE-UHFFFAOYSA-N 1 2 351.794 2.521 20 5 FFBDLO O=[N+]([O-])c1ccc(Cl)cc1Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000804443877 740874947 /nfs/dbraw/zinc/87/49/47/740874947.db2.gz QBVWRJRSMJRCGK-UHFFFAOYSA-N 1 2 351.794 2.521 20 5 FFBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC000823205239 742851850 /nfs/dbraw/zinc/85/18/50/742851850.db2.gz LLVNMUDHZVTUJF-LBPRGKRZSA-N 1 2 372.252 2.937 20 5 FFBDLO CC(C)(C)OC(=O)C[C@H]([NH3+])c1noc(-c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000823396651 742899750 /nfs/dbraw/zinc/89/97/50/742899750.db2.gz BEAVTJNDBBYEKE-JTQLQIEISA-N 1 2 352.322 2.516 20 5 FFBDLO COC[C@H](OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(F)(F)F ZINC000835242351 745978118 /nfs/dbraw/zinc/97/81/18/745978118.db2.gz YPQCIBKUJLCVOV-LBPRGKRZSA-N 1 2 359.260 2.515 20 5 FFBDLO Cn1c[nH+]cc1CCOC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000837628103 746489117 /nfs/dbraw/zinc/48/91/17/746489117.db2.gz JQVWCBJRTBPGPY-UHFFFAOYSA-N 1 2 355.803 2.860 20 5 FFBDLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000844363427 748012801 /nfs/dbraw/zinc/01/28/01/748012801.db2.gz CYBJLTKNOXCCAC-WQVCFCJDSA-N 1 2 350.415 2.823 20 5 FFBDLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000844363427 748012808 /nfs/dbraw/zinc/01/28/08/748012808.db2.gz CYBJLTKNOXCCAC-WQVCFCJDSA-N 1 2 350.415 2.823 20 5 FFBDLO C[C@H](CC(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000845281084 748219141 /nfs/dbraw/zinc/21/91/41/748219141.db2.gz ZMZZRWRDFDBENW-SNVBAGLBSA-N 1 2 366.761 2.578 20 5 FFBDLO COc1cc2ncnc(N3CCC(n4cc[nH+]c4)CC3)c2cc1[N+](=O)[O-] ZINC001167126454 960200025 /nfs/dbraw/zinc/20/00/25/960200025.db2.gz UULPHMHPDJZZCV-UHFFFAOYSA-N 1 2 354.370 2.585 20 5 FFBDLO C[C@H]([NH2+][C@H](CO)c1ccc(F)cc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001174799217 1013316702 /nfs/dbraw/zinc/31/67/02/1013316702.db2.gz SWQJSXGWAAGIDG-MGPLVRAMSA-N 1 2 365.336 2.523 20 5 FFBDLO Nc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000049934281 962295771 /nfs/dbraw/zinc/29/57/71/962295771.db2.gz JGELWKVIKYNMSM-QPJJXVBHSA-N 1 2 366.421 2.648 20 5 FFBDLO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccc2cc[nH]c2c1 ZINC001175612510 1013524860 /nfs/dbraw/zinc/52/48/60/1013524860.db2.gz TWCMYEPXRKLDLY-UHFFFAOYSA-N 1 2 373.434 2.982 20 5 FFBDLO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccc2cc[nH]c2c1 ZINC001175612510 1013524866 /nfs/dbraw/zinc/52/48/66/1013524866.db2.gz TWCMYEPXRKLDLY-UHFFFAOYSA-N 1 2 373.434 2.982 20 5 FFBDLO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000176204036 965573097 /nfs/dbraw/zinc/57/30/97/965573097.db2.gz FUGVHXIRTPTBBG-HZPDHXFCSA-N 1 2 354.410 2.898 20 5 FFBDLO Cc1cccn2c(C[NH+]3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cnc12 ZINC000179534761 968970018 /nfs/dbraw/zinc/97/00/18/968970018.db2.gz HZKGIYXVOIDQLJ-UHFFFAOYSA-N 1 2 351.410 2.873 20 5 FFBDLO O=[N+]([O-])c1cc(O[C@@H]2CC[NH2+]CC2(F)F)c(Br)cc1F ZINC001218004522 969318924 /nfs/dbraw/zinc/31/89/24/969318924.db2.gz FIYRZEMCFYGVMO-SNVBAGLBSA-N 1 2 355.110 2.872 20 5 FFBDLO CNc1ccc(C(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000874893636 1013926297 /nfs/dbraw/zinc/92/62/97/1013926297.db2.gz KJHHMNQRUCKKKX-INIZCTEOSA-N 1 2 358.373 2.562 20 5 FFBDLO C[N@H+](CCCOc1ccccc1)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000042094747 976742721 /nfs/dbraw/zinc/74/27/21/976742721.db2.gz DRINLGQJBPBGPP-UHFFFAOYSA-N 1 2 357.366 2.861 20 5 FFBDLO C[N@@H+](CCCOc1ccccc1)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000042094747 976742730 /nfs/dbraw/zinc/74/27/30/976742730.db2.gz DRINLGQJBPBGPP-UHFFFAOYSA-N 1 2 357.366 2.861 20 5 FFBDLO CC(C)(CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC000898893220 976758103 /nfs/dbraw/zinc/75/81/03/976758103.db2.gz DUJPMHFOWMHGOC-UHFFFAOYSA-N 1 2 357.414 2.557 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CC[C@H](C2CC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000897509982 981374327 /nfs/dbraw/zinc/37/43/27/981374327.db2.gz HXCYMOSEOGPSOU-RCCFBDPRSA-N 1 2 356.426 2.965 20 5 FFBDLO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000057406447 984496138 /nfs/dbraw/zinc/49/61/38/984496138.db2.gz BSNYZWLMCVSBGF-MDZRGWNJSA-N 1 2 374.485 2.800 20 5 FFBDLO C[N@H+](CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@@H]1CCc2ccccc21 ZINC000022758181 1015082359 /nfs/dbraw/zinc/08/23/59/1015082359.db2.gz RNBOBZGOTXHEJW-OAHLLOKOSA-N 1 2 351.362 2.768 20 5 FFBDLO C[N@@H+](CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@@H]1CCc2ccccc21 ZINC000022758181 1015082370 /nfs/dbraw/zinc/08/23/70/1015082370.db2.gz RNBOBZGOTXHEJW-OAHLLOKOSA-N 1 2 351.362 2.768 20 5 FFBDLO Cc1nn(CN2CCN(c3cc(C)cc[nH+]3)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000765141197 984972991 /nfs/dbraw/zinc/97/29/91/984972991.db2.gz JTPBHULMHDCRKT-UHFFFAOYSA-N 1 2 366.425 2.736 20 5 FFBDLO C[C@@H](C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)NC(=O)OC(C)(C)C ZINC000785442603 986241264 /nfs/dbraw/zinc/24/12/64/986241264.db2.gz PXHYHLZAYAGCID-AWEZNQCLSA-N 1 2 364.446 2.630 20 5 FFBDLO Cn1c[nH+]cc1Cc1noc(-c2cc([N+](=O)[O-])ccc2N2CCCC2)n1 ZINC000809448827 994521865 /nfs/dbraw/zinc/52/18/65/994521865.db2.gz ZIEXVOONVBLYQC-UHFFFAOYSA-N 1 2 354.370 2.569 20 5 FFBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000811540708 995177991 /nfs/dbraw/zinc/17/79/91/995177991.db2.gz ZJOSQFKLAVNCTJ-UGSOOPFHSA-N 1 2 366.377 2.632 20 5 FFBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CN1C(=O)C2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000811772820 995239250 /nfs/dbraw/zinc/23/92/50/995239250.db2.gz BGQKCPLSTKPKSY-MSOLQXFVSA-N 1 2 373.453 2.587 20 5 FFBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CN1C(=O)C2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000811772820 995239259 /nfs/dbraw/zinc/23/92/59/995239259.db2.gz BGQKCPLSTKPKSY-MSOLQXFVSA-N 1 2 373.453 2.587 20 5 FFBDLO COCc1ccc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)o1 ZINC000813171670 995633160 /nfs/dbraw/zinc/63/31/60/995633160.db2.gz PXALUSZLUIIXPD-HNNXBMFYSA-N 1 2 360.366 2.766 20 5 FFBDLO COCc1ccc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)o1 ZINC000813171670 995633166 /nfs/dbraw/zinc/63/31/66/995633166.db2.gz PXALUSZLUIIXPD-HNNXBMFYSA-N 1 2 360.366 2.766 20 5 FFBDLO CC(C)(C)OC(=O)C1CC[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000727428189 995819136 /nfs/dbraw/zinc/81/91/36/995819136.db2.gz QVJVRMMDWGRHPH-UHFFFAOYSA-N 1 2 360.414 2.956 20 5 FFBDLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)CC2)s1 ZINC000128690476 1016031572 /nfs/dbraw/zinc/03/15/72/1016031572.db2.gz KIUIIKXAGRIKLF-UHFFFAOYSA-N 1 2 374.466 2.759 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1COC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845449143 998542914 /nfs/dbraw/zinc/54/29/14/998542914.db2.gz JDYYXFIBLOKQDY-UHFFFAOYSA-N 1 2 359.382 2.812 20 5 FFBDLO Cc1noc2ncc(C[NH+]3CCN(c4ccccc4[N+](=O)[O-])CC3)cc12 ZINC000829056346 999596560 /nfs/dbraw/zinc/59/65/60/999596560.db2.gz GOLMBDQSHFXPNZ-UHFFFAOYSA-N 1 2 353.382 2.762 20 5 FFBDLO COc1ccc([C@H]2[C@@H](COC(=O)c3ccc([N+](=O)[O-])[nH]3)CC[N@@H+]2C)cc1 ZINC000741120952 999709740 /nfs/dbraw/zinc/70/97/40/999709740.db2.gz OVTOXGIJQNEWIH-DYVFJYSZSA-N 1 2 359.382 2.781 20 5 FFBDLO COc1ccc([C@H]2[C@@H](COC(=O)c3ccc([N+](=O)[O-])[nH]3)CC[N@H+]2C)cc1 ZINC000741120952 999709742 /nfs/dbraw/zinc/70/97/42/999709742.db2.gz OVTOXGIJQNEWIH-DYVFJYSZSA-N 1 2 359.382 2.781 20 5 FFBDLO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)OCc1ccccc1[N+](=O)[O-] ZINC000741352729 999723622 /nfs/dbraw/zinc/72/36/22/999723622.db2.gz KFIAPHFNIQRMQD-SFHVURJKSA-N 1 2 370.405 2.929 20 5 FFBDLO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)OCc1ccccc1[N+](=O)[O-] ZINC000741352729 999723625 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2 359.382 2.517 20 5 FFBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000770663844 1000870939 /nfs/dbraw/zinc/87/09/39/1000870939.db2.gz DBYROKJREUWIQH-UHFFFAOYSA-N 1 2 360.345 2.526 20 5 FFBDLO O=C(O[C@@H](C(F)F)[C@H]1CCCO1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000774450530 1001915288 /nfs/dbraw/zinc/91/52/88/1001915288.db2.gz PVIVXAXWWACUBT-ZIAGYGMSSA-N 1 2 367.308 2.750 20 5 FFBDLO Nc1ccc(CCC(=O)Nc2cc3nc4ccccc4nc3cc2N)c[nH+]1 ZINC001183935090 1002433127 /nfs/dbraw/zinc/43/31/27/1002433127.db2.gz BETCRDHBEBPRSP-UHFFFAOYSA-N 1 2 358.405 2.914 20 5 FFBDLO COCc1cnc2n1CC[N@H+]([C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])[C@@H]2C ZINC001170341398 1003130046 /nfs/dbraw/zinc/13/00/46/1003130046.db2.gz QCZHHRXIVVVQCV-UONOGXRCSA-N 1 2 374.441 2.954 20 5 FFBDLO COCc1cnc2n1CC[N@@H+]([C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])[C@@H]2C ZINC001170341398 1003130050 /nfs/dbraw/zinc/13/00/50/1003130050.db2.gz QCZHHRXIVVVQCV-UONOGXRCSA-N 1 2 374.441 2.954 20 5 FFBDLO O=C(Nc1cc2ccccc2nn1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001130172762 1004011318 /nfs/dbraw/zinc/01/13/18/1004011318.db2.gz LIQSLRUIXOXVBX-UHFFFAOYSA-N 1 2 360.333 2.976 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCCC[C@@]23CCOC3)c([N+](=O)[O-])c1 ZINC001198767317 1004734072 /nfs/dbraw/zinc/73/40/72/1004734072.db2.gz APOFJWBLWPXLAF-SFHVURJKSA-N 1 2 363.414 2.577 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+]2CCCC[C@@]23CCOC3)c([N+](=O)[O-])c1 ZINC001198767317 1004734074 /nfs/dbraw/zinc/73/40/74/1004734074.db2.gz APOFJWBLWPXLAF-SFHVURJKSA-N 1 2 363.414 2.577 20 5 FFBDLO CC(=O)NCCn1c2ccccc2[nH+]c1Nc1cc(O)cc([N+](=O)[O-])c1 ZINC001199828480 1005043774 /nfs/dbraw/zinc/04/37/74/1005043774.db2.gz JOKXJGVMGKFWGC-UHFFFAOYSA-N 1 2 355.354 2.530 20 5 FFBDLO O=C1CCC2=C(CC[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)N1 ZINC000852296930 1005965620 /nfs/dbraw/zinc/96/56/20/1005965620.db2.gz CRGLCWVWQFBCPL-UHFFFAOYSA-N 1 2 354.366 2.620 20 5 FFBDLO O=C1CCC2=C(CC[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)N1 ZINC000852296930 1005965624 /nfs/dbraw/zinc/96/56/24/1005965624.db2.gz CRGLCWVWQFBCPL-UHFFFAOYSA-N 1 2 354.366 2.620 20 5 FFBDLO O=[N+]([O-])c1ccc(C(F)(F)F)cc1N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC001187551089 1006140816 /nfs/dbraw/zinc/14/08/16/1006140816.db2.gz SUZUXAQAJCLTFU-UHFFFAOYSA-N 1 2 355.320 2.659 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC(CC2CCOCC2)C1 ZINC000881918201 1006255615 /nfs/dbraw/zinc/25/56/15/1006255615.db2.gz GZYVLZLLSVPLMP-UHFFFAOYSA-N 1 2 370.409 2.669 20 5 FFBDLO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)nc1-c1ccccn1 ZINC000853507321 1006419444 /nfs/dbraw/zinc/41/94/44/1006419444.db2.gz OLFIGZRWOJUZAZ-OAHLLOKOSA-N 1 2 357.414 2.702 20 5 FFBDLO O=[N+]([O-])c1cn(C[N@H+]2CCC[C@@H](OCC3CC3)C2)nc1-c1ccccn1 ZINC000853507321 1006419450 /nfs/dbraw/zinc/41/94/50/1006419450.db2.gz OLFIGZRWOJUZAZ-OAHLLOKOSA-N 1 2 357.414 2.702 20 5 FFBDLO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+]2Cc2cccnc2[N+](=O)[O-])C1 ZINC000886169603 1008597286 /nfs/dbraw/zinc/59/72/86/1008597286.db2.gz BNBKVKKMCNWIGW-SFHVURJKSA-N 1 2 362.430 2.965 20 5 FFBDLO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+]2Cc2cccnc2[N+](=O)[O-])C1 ZINC000886169603 1008597299 /nfs/dbraw/zinc/59/72/99/1008597299.db2.gz BNBKVKKMCNWIGW-SFHVURJKSA-N 1 2 362.430 2.965 20 5 FFBDLO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2Cc1cccnc1[N+](=O)[O-] ZINC000886310379 1008632258 /nfs/dbraw/zinc/63/22/58/1008632258.db2.gz KRCAAMJRISGSEJ-CABCVRRESA-N 1 2 362.430 2.964 20 5 FFBDLO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2Cc1cccnc1[N+](=O)[O-] ZINC000886310379 1008632270 /nfs/dbraw/zinc/63/22/70/1008632270.db2.gz KRCAAMJRISGSEJ-CABCVRRESA-N 1 2 362.430 2.964 20 5 FFBDLO Nc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000824003030 1009289220 /nfs/dbraw/zinc/28/92/20/1009289220.db2.gz MEPKIUAGBBUNBE-UHFFFAOYSA-N 1 2 370.413 2.884 20 5 FFBDLO Cc1cc(NCCNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)nc(C(C)C)[nH+]1 ZINC000861202915 1009299427 /nfs/dbraw/zinc/29/94/27/1009299427.db2.gz TWBMVOFBWMUFPI-UHFFFAOYSA-N 1 2 373.417 2.632 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)c([N+](=O)[O-])c1 ZINC000130542763 1009345807 /nfs/dbraw/zinc/34/58/07/1009345807.db2.gz RHERREIZTRRIES-OAHLLOKOSA-N 1 2 373.413 2.719 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)c([N+](=O)[O-])c1 ZINC000130542763 1009345825 /nfs/dbraw/zinc/34/58/25/1009345825.db2.gz RHERREIZTRRIES-OAHLLOKOSA-N 1 2 373.413 2.719 20 5 FFBDLO Cc1cc(NC(=O)[C@@]2([NH+](C)C)COc3ccccc3C2)cc([N+](=O)[O-])c1 ZINC001181032738 1009957774 /nfs/dbraw/zinc/95/77/74/1009957774.db2.gz ROVFRGLIIYYQRS-IBGZPJMESA-N 1 2 355.394 2.777 20 5 FFBDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000862754634 1009957953 /nfs/dbraw/zinc/95/79/53/1009957953.db2.gz DIQSEIQWTXWAQD-HNNXBMFYSA-N 1 2 373.384 2.747 20 5 FFBDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000862754634 1009957960 /nfs/dbraw/zinc/95/79/60/1009957960.db2.gz DIQSEIQWTXWAQD-HNNXBMFYSA-N 1 2 373.384 2.747 20 5 FFBDLO C[C@@]1(NC(=O)C(F)(F)F)CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000866282505 1010969659 /nfs/dbraw/zinc/96/96/59/1010969659.db2.gz LGCHOQFMXZKCMK-OAHLLOKOSA-N 1 2 368.315 2.790 20 5 FFBDLO Cc1ccc2c(c1)C[N@@H+](CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)CC2 ZINC001171815571 1011492320 /nfs/dbraw/zinc/49/23/20/1011492320.db2.gz QMRDTMBFBOXMHQ-UHFFFAOYSA-N 1 2 351.406 2.851 20 5 FFBDLO Cc1ccc2c(c1)C[N@H+](CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)CC2 ZINC001171815571 1011492325 /nfs/dbraw/zinc/49/23/25/1011492325.db2.gz QMRDTMBFBOXMHQ-UHFFFAOYSA-N 1 2 351.406 2.851 20 5 FFBDLO COc1cccc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3C)CC[NH2+]2)c1 ZINC000870149001 1012204257 /nfs/dbraw/zinc/20/42/57/1012204257.db2.gz AHQAQROORHQNMR-SFHVURJKSA-N 1 2 355.394 2.699 20 5 FFBDLO O=C1N(C[N@@H+]2CCC[C@H](OCC3CC3)C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000777556518 1017694540 /nfs/dbraw/zinc/69/45/40/1017694540.db2.gz UZYBTOHTJQTXLJ-INIZCTEOSA-N 1 2 374.441 2.685 20 5 FFBDLO O=C1N(C[N@H+]2CCC[C@H](OCC3CC3)C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000777556518 1017694545 /nfs/dbraw/zinc/69/45/45/1017694545.db2.gz UZYBTOHTJQTXLJ-INIZCTEOSA-N 1 2 374.441 2.685 20 5 FFBDLO COC(=O)Cc1ccc(N(C)Cc2[nH+]cc(C)c(OC)c2C)c([N+](=O)[O-])c1 ZINC000827491014 1018269882 /nfs/dbraw/zinc/26/98/82/1018269882.db2.gz HXKSBJGYXVITEQ-UHFFFAOYSA-N 1 2 373.409 2.967 20 5 FFBDLO C/C(=C/C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)C[NH+]1CCOCC1 ZINC000900347899 1020373405 /nfs/dbraw/zinc/37/34/05/1020373405.db2.gz GRFNSPMGQQIGHX-VBKFSLOCSA-N 1 2 361.442 2.610 20 5 FFBDLO Cc1cc2nc3nc(=O)[nH]c(O[C@@H]4CCC[NH2+]C[C@H]4C)c3nc2cc1C ZINC001217990922 1032938150 /nfs/dbraw/zinc/93/81/50/1032938150.db2.gz QBZDPBZTWPSRCO-IUODEOHRSA-N 1 2 353.426 2.662 20 5 FFBDLO C[N@@H+](Cc1ccn(-c2ccccc2)n1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749675175 1021018926 /nfs/dbraw/zinc/01/89/26/1021018926.db2.gz JBSVHVZSVXYXOI-IBGZPJMESA-N 1 2 352.394 2.946 20 5 FFBDLO C[N@H+](Cc1ccn(-c2ccccc2)n1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749675175 1021018931 /nfs/dbraw/zinc/01/89/31/1021018931.db2.gz JBSVHVZSVXYXOI-IBGZPJMESA-N 1 2 352.394 2.946 20 5 FFBDLO CN(C)c1cc(COC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc[nH+]1 ZINC000755914007 1023650212 /nfs/dbraw/zinc/65/02/12/1023650212.db2.gz OXBIIZBONXVBCC-UHFFFAOYSA-N 1 2 367.365 2.599 20 5 FFBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000091212344 1026647246 /nfs/dbraw/zinc/64/72/46/1026647246.db2.gz GQOIMEBGOXUTLW-UHFFFAOYSA-N 1 2 365.393 2.777 20 5 FFBDLO Cc1cn(C[N@@H+]2CCCO[C@H](C(C)C)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000840094571 1026954064 /nfs/dbraw/zinc/95/40/64/1026954064.db2.gz HMBANKOSPFXOMO-SFHVURJKSA-N 1 2 374.441 2.560 20 5 FFBDLO Cc1cn(C[N@H+]2CCCO[C@H](C(C)C)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000840094571 1026954072 /nfs/dbraw/zinc/95/40/72/1026954072.db2.gz HMBANKOSPFXOMO-SFHVURJKSA-N 1 2 374.441 2.560 20 5 FFBDLO CC[C@]1(C)CC(=O)N(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000840127010 1026970126 /nfs/dbraw/zinc/97/01/26/1026970126.db2.gz QOLLPIUJMDGNCT-HNAYVOBHSA-N 1 2 359.426 2.907 20 5 FFBDLO CC[C@]1(C)CC(=O)N(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000840127010 1026970133 /nfs/dbraw/zinc/97/01/33/1026970133.db2.gz QOLLPIUJMDGNCT-HNAYVOBHSA-N 1 2 359.426 2.907 20 5 FFBDLO CCOC(=O)C[NH+]1CCC(Nc2ccc3c(cccc3[N+](=O)[O-])n2)CC1 ZINC001161082949 1028001749 /nfs/dbraw/zinc/00/17/49/1028001749.db2.gz LDDQXAWNVNGQMD-UHFFFAOYSA-N 1 2 358.398 2.582 20 5 FFBDLO CC[C@H](C[NH+]1CCOCC1)Nc1cccc(Br)c1[N+](=O)[O-] ZINC001164176893 1029191477 /nfs/dbraw/zinc/19/14/77/1029191477.db2.gz HDBCXRLXZADEHL-LLVKDONJSA-N 1 2 358.236 2.880 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])c(N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)n1 ZINC001165691676 1030085587 /nfs/dbraw/zinc/08/55/87/1030085587.db2.gz STSOBLWAUJXXKP-INIZCTEOSA-N 1 2 371.441 2.866 20 5 FFBDLO Nc1ccc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1[N+](=O)[O-] ZINC000783645362 1030206138 /nfs/dbraw/zinc/20/61/38/1030206138.db2.gz UGFUNRHXEQKCHM-UHFFFAOYSA-N 1 2 357.414 2.706 20 5 FFBDLO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)OCC1CN(c2cccc[nH+]2)C1 ZINC000842884692 1031019369 /nfs/dbraw/zinc/01/93/69/1031019369.db2.gz SRYAESIYZZYAKA-UHFFFAOYSA-N 1 2 369.377 2.632 20 5 FFBDLO C[C@@H]1COCC[C@H]1c1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000799675693 1031856039 /nfs/dbraw/zinc/85/60/39/1031856039.db2.gz NAADWASOBCFGBM-DGCLKSJQSA-N 1 2 355.354 2.971 20 5 FFBDLO Cc1cc(O[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)ncc1[N+](=O)[O-] ZINC001225660535 1034354755 /nfs/dbraw/zinc/35/47/55/1034354755.db2.gz DYFRLXQFZLXAKI-CRAIPNDOSA-N 1 2 357.410 2.967 20 5 FFBDLO Cc1cc(O[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ncc1[N+](=O)[O-] ZINC001225660535 1034354772 /nfs/dbraw/zinc/35/47/72/1034354772.db2.gz DYFRLXQFZLXAKI-CRAIPNDOSA-N 1 2 357.410 2.967 20 5 FFBDLO C[C@H](Oc1c(O)cccc1[N+](=O)[O-])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001226333170 1034632668 /nfs/dbraw/zinc/63/26/68/1034632668.db2.gz HSQMWUSMFPLGPP-KSSFIOAISA-N 1 2 358.394 2.969 20 5 FFBDLO C[C@H](Oc1c(O)cccc1[N+](=O)[O-])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001226333170 1034632674 /nfs/dbraw/zinc/63/26/74/1034632674.db2.gz HSQMWUSMFPLGPP-KSSFIOAISA-N 1 2 358.394 2.969 20 5 FFBDLO Cc1cc([N+](=O)[O-])cnc1O[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001226761149 1034823673 /nfs/dbraw/zinc/82/36/73/1034823673.db2.gz GDJIBVTZNOWOCZ-QAPCUYQASA-N 1 2 357.410 2.967 20 5 FFBDLO Cc1cc([N+](=O)[O-])cnc1O[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001226761149 1034823690 /nfs/dbraw/zinc/82/36/90/1034823690.db2.gz GDJIBVTZNOWOCZ-QAPCUYQASA-N 1 2 357.410 2.967 20 5 FFBDLO Cc1cc2nc3nc(=O)[nH]c(OC4CC[NH+](CCF)CC4)c3nc2cc1C ZINC001228685848 1036258118 /nfs/dbraw/zinc/25/81/18/1036258118.db2.gz IYLFFJVONUCJLS-UHFFFAOYSA-N 1 2 371.416 2.708 20 5 FFBDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])Cc2ccccc21 ZINC001207019230 1037063302 /nfs/dbraw/zinc/06/33/02/1037063302.db2.gz VLXCFXBHYXCIAG-HNNXBMFYSA-N 1 2 372.377 2.581 20 5 FFBDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])Cc2ccccc21 ZINC001207019230 1037063319 /nfs/dbraw/zinc/06/33/19/1037063319.db2.gz VLXCFXBHYXCIAG-HNNXBMFYSA-N 1 2 372.377 2.581 20 5 FFBDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])Cc2ccccc21 ZINC001207019265 1037063769 /nfs/dbraw/zinc/06/37/69/1037063769.db2.gz VLXCFXBHYXCIAG-OAHLLOKOSA-N 1 2 372.377 2.581 20 5 FFBDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])Cc2ccccc21 ZINC001207019265 1037063788 /nfs/dbraw/zinc/06/37/88/1037063788.db2.gz VLXCFXBHYXCIAG-OAHLLOKOSA-N 1 2 372.377 2.581 20 5 FFBDLO O=c1c2cccc(O)c2oc2cc(O)cc(O[C@@H]3CCc4[nH+]ccn4C3)c12 ZINC001234743105 1037162174 /nfs/dbraw/zinc/16/21/74/1037162174.db2.gz YTCRAAXGNQOBHB-GFCCVEGCSA-N 1 2 364.357 2.948 20 5 FFBDLO COc1c(O)ccc2c(=O)c3c(O[C@H]4CCC[N@H+](C)C4)cc(O)cc3oc21 ZINC001234749608 1037167670 /nfs/dbraw/zinc/16/76/70/1037167670.db2.gz QYRSWOQLJKCBLL-LBPRGKRZSA-N 1 2 371.389 2.839 20 5 FFBDLO COc1c(O)ccc2c(=O)c3c(O[C@H]4CCC[N@@H+](C)C4)cc(O)cc3oc21 ZINC001234749608 1037167681 /nfs/dbraw/zinc/16/76/81/1037167681.db2.gz QYRSWOQLJKCBLL-LBPRGKRZSA-N 1 2 371.389 2.839 20 5 FFBDLO CCOc1cc(NC(=O)NCCc2cn3c([nH+]2)CCCC3)ccc1[N+](=O)[O-] ZINC001207130621 1037175625 /nfs/dbraw/zinc/17/56/25/1037175625.db2.gz VUHWNSRACFABRW-UHFFFAOYSA-N 1 2 373.413 2.891 20 5 FFBDLO O=[N+]([O-])c1nc(Cl)ccc1OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001230878821 1037389608 /nfs/dbraw/zinc/38/96/08/1037389608.db2.gz JEFPJZFUYCQWMV-AWEZNQCLSA-N 1 2 363.801 2.923 20 5 FFBDLO O=[N+]([O-])c1nc(Cl)ccc1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001230878821 1037389628 /nfs/dbraw/zinc/38/96/28/1037389628.db2.gz JEFPJZFUYCQWMV-AWEZNQCLSA-N 1 2 363.801 2.923 20 5 FFBDLO CCOC(=O)[C@@H](CC)[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256101613 1038387838 /nfs/dbraw/zinc/38/78/38/1038387838.db2.gz NRYXTNRUWOMUGD-OAHLLOKOSA-N 1 2 365.430 2.504 20 5 FFBDLO Cc1cc(N2CCOCC2)cc2[nH+]c(-c3cc(O)cc([N+](=O)[O-])c3)[nH]c21 ZINC001251389513 1039107096 /nfs/dbraw/zinc/10/70/96/1039107096.db2.gz NEIACVWVHOHPPM-UHFFFAOYSA-N 1 2 354.366 2.989 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[N@@H+](C)[C@H](C(C)(C)C)C2)c1 ZINC001309832520 1043544874 /nfs/dbraw/zinc/54/48/74/1043544874.db2.gz IUXKQALZGHWVKN-INIZCTEOSA-N 1 2 369.487 2.562 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[N@H+](C)[C@H](C(C)(C)C)C2)c1 ZINC001309832520 1043544884 /nfs/dbraw/zinc/54/48/84/1043544884.db2.gz IUXKQALZGHWVKN-INIZCTEOSA-N 1 2 369.487 2.562 20 5 FFBDLO CNc1ccc([N+](=O)[O-])cc1C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC001318869149 1044916087 /nfs/dbraw/zinc/91/60/87/1044916087.db2.gz HEVZCHFHSBQRAD-UHFFFAOYSA-N 1 2 353.382 2.565 20 5 FFBDLO Cc1cn(C[N@@H+]2CCC[C@@H](CCF)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC001330667898 1049261887 /nfs/dbraw/zinc/26/18/87/1049261887.db2.gz YSYMQFUQPXDIFP-HNNXBMFYSA-N 1 2 362.405 2.885 20 5 FFBDLO Cc1cn(C[N@H+]2CCC[C@@H](CCF)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC001330667898 1049261900 /nfs/dbraw/zinc/26/19/00/1049261900.db2.gz YSYMQFUQPXDIFP-HNNXBMFYSA-N 1 2 362.405 2.885 20 5 FFBDLO CCOc1ccc(C(=O)NCCCN(C)c2cccc[nH+]2)cc1[N+](=O)[O-] ZINC001302975220 1051245071 /nfs/dbraw/zinc/24/50/71/1051245071.db2.gz NVOOEXDMLIBLOO-UHFFFAOYSA-N 1 2 358.398 2.645 20 5 FFBDLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC001303313032 1051327127 /nfs/dbraw/zinc/32/71/27/1051327127.db2.gz BWMGCYMPVGGPGC-KRWDZBQOSA-N 1 2 374.416 2.982 20 5 FFBDLO Cn1c[nH+]cc1CCCOC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001344917434 1052129297 /nfs/dbraw/zinc/12/92/97/1052129297.db2.gz SRZHBOASVISUPC-UHFFFAOYSA-N 1 2 358.398 2.718 20 5 FFBDLO CC(C)(CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-])n1cc[nH+]c1 ZINC001307165339 1052261031 /nfs/dbraw/zinc/26/10/31/1052261031.db2.gz FQXQSWFSCXHENR-UHFFFAOYSA-N 1 2 356.342 2.517 20 5 FFBDLO CC(C)(C)OCCC[NH+]1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC001307198400 1052266439 /nfs/dbraw/zinc/26/64/39/1052266439.db2.gz MMVOFVSTKVNKLV-UHFFFAOYSA-N 1 2 356.854 2.970 20 5 FFBDLO COC(=O)[C@@H](c1cccc(OC)c1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001307717014 1052340645 /nfs/dbraw/zinc/34/06/45/1052340645.db2.gz RBBMYCQFURBSJV-GOSISDBHSA-N 1 2 358.394 2.992 20 5 FFBDLO COC(=O)[C@@H](c1cccc(OC)c1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001307717014 1052340648 /nfs/dbraw/zinc/34/06/48/1052340648.db2.gz RBBMYCQFURBSJV-GOSISDBHSA-N 1 2 358.394 2.992 20 5 FFBDLO C[C@@]12CSC[C@@H]1C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC001308134105 1052414416 /nfs/dbraw/zinc/41/44/16/1052414416.db2.gz MTRHTKDDDXFPLL-ZUZCIYMTSA-N 1 2 355.847 2.872 20 5 FFBDLO C[C@@]12CSC[C@@H]1C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC001308134105 1052414420 /nfs/dbraw/zinc/41/44/20/1052414420.db2.gz MTRHTKDDDXFPLL-ZUZCIYMTSA-N 1 2 355.847 2.872 20 5 FFBDLO COc1nsc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c1Cl ZINC001308489745 1052460171 /nfs/dbraw/zinc/46/01/71/1052460171.db2.gz ANRSMADHNUPPDV-AWEZNQCLSA-N 1 2 357.819 2.711 20 5 FFBDLO Cc1c[nH+]c2cc(C(=O)Nc3ccnn3-c3ccc([N+](=O)[O-])cc3)ccn12 ZINC001358330147 1056255146 /nfs/dbraw/zinc/25/51/46/1056255146.db2.gz UGUWVHAOVATXSI-UHFFFAOYSA-N 1 2 362.349 2.989 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2C[C@]2(F)c2ccccc2)cc1 ZINC001353309633 1056284868 /nfs/dbraw/zinc/28/48/68/1056284868.db2.gz HCLOLOARYNYWTK-IRXDYDNUSA-N 1 2 364.398 2.595 20 5 FFBDLO O=C(COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000849194675 1056795650 /nfs/dbraw/zinc/79/56/50/1056795650.db2.gz AOEVBTCUYPPYQU-UHFFFAOYSA-N 1 2 369.308 2.959 20 5 FFBDLO CC(C)N(C(=O)COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)C ZINC000849194687 1056796313 /nfs/dbraw/zinc/79/63/13/1056796313.db2.gz WOPFSWZKIWVVJD-UHFFFAOYSA-N 1 2 374.397 2.583 20 5 FFBDLO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(Cn2cc[nH+]c2)c1 ZINC000540587171 1056969077 /nfs/dbraw/zinc/96/90/77/1056969077.db2.gz CMTYYJQPAGFFLZ-UHFFFAOYSA-N 1 2 362.349 2.968 20 5 FFBDLO CC[C@@H](C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCO[C@@H](CC)C1 ZINC001445407704 1058400597 /nfs/dbraw/zinc/40/05/97/1058400597.db2.gz BGQVAGSLKYEDKF-IRXDYDNUSA-N 1 2 363.458 2.836 20 5 FFBDLO CC[C@@H](C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCO[C@@H](CC)C1 ZINC001445407704 1058400604 /nfs/dbraw/zinc/40/06/04/1058400604.db2.gz BGQVAGSLKYEDKF-IRXDYDNUSA-N 1 2 363.458 2.836 20 5 FFBDLO COc1ccc(NC(=O)c2cc(-n3cc[nH+]c3)ccc2O)cc1[N+](=O)[O-] ZINC001446660365 1058539884 /nfs/dbraw/zinc/53/98/84/1058539884.db2.gz ZPYHSNWFZPQRLF-UHFFFAOYSA-N 1 2 354.322 2.747 20 5 FFBDLO CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1c[nH+]ccc1OC ZINC001515357123 1059604952 /nfs/dbraw/zinc/60/49/52/1059604952.db2.gz CZAUAULHJISAEU-UHFFFAOYSA-N 1 2 368.397 2.761 20 5 FFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001520814102 1060106261 /nfs/dbraw/zinc/10/62/61/1060106261.db2.gz JDJJJONDSJHSMW-UHFFFAOYSA-N 1 2 362.817 2.995 20 5 FFBDLO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CCCN(CC(F)F)CC2)c1 ZINC000848483733 1060127129 /nfs/dbraw/zinc/12/71/29/1060127129.db2.gz PXBUMPLSSVGRHR-UHFFFAOYSA-N 1 2 365.384 2.689 20 5 FFBDLO O=[N+]([O-])c1ccccc1-c1cnn(C[N@H+]2CCCN(CC(F)F)CC2)c1 ZINC000848483733 1060127133 /nfs/dbraw/zinc/12/71/33/1060127133.db2.gz PXBUMPLSSVGRHR-UHFFFAOYSA-N 1 2 365.384 2.689 20 5 FFBDLO O=C1N(C[N@@H+]2CCC[C@@H](OC3CCC3)C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000848499383 1060175193 /nfs/dbraw/zinc/17/51/93/1060175193.db2.gz YMAISKPZDRIKLT-MRXNPFEDSA-N 1 2 374.441 2.828 20 5 FFBDLO O=C1N(C[N@H+]2CCC[C@@H](OC3CCC3)C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000848499383 1060175199 /nfs/dbraw/zinc/17/51/99/1060175199.db2.gz YMAISKPZDRIKLT-MRXNPFEDSA-N 1 2 374.441 2.828 20 5 FFBDLO COc1cccc(C(=O)NCCNc2cc(C)[nH+]c(C(C)C)n2)c1[N+](=O)[O-] ZINC000600368376 1060317843 /nfs/dbraw/zinc/31/78/43/1060317843.db2.gz XAZQZLCZDVWEIX-UHFFFAOYSA-N 1 2 373.413 2.667 20 5 FFBDLO COc1ccc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC001517274552 1060432431 /nfs/dbraw/zinc/43/24/31/1060432431.db2.gz GKHCYWMIHHFJMX-WBMJQRKESA-N 1 2 359.386 2.915 20 5 FFBDLO O=C(Nc1cccc2[nH+]ccn21)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC001529432820 1062310540 /nfs/dbraw/zinc/31/05/40/1062310540.db2.gz PUNGINBIUQZOIL-UHFFFAOYSA-N 1 2 366.312 2.820 20 5 FFBDLO C[C@H](CNC(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccccc1[N+](=O)[O-] ZINC001468293002 1063960869 /nfs/dbraw/zinc/96/08/69/1063960869.db2.gz JDQHJJPZUIDWBA-CQSZACIVSA-N 1 2 371.441 2.773 20 5 FFBDLO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001470633599 1064389937 /nfs/dbraw/zinc/38/99/37/1064389937.db2.gz KZKREGFGTYTBPF-MRXNPFEDSA-N 1 2 374.828 2.833 20 5 FFBDLO CCc1cc(NCc2[nH]c(C)c(C)[nH+]2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001472883401 1065166837 /nfs/dbraw/zinc/16/68/37/1065166837.db2.gz SFNLJSOAIYKHRJ-UHFFFAOYSA-N 1 2 352.398 2.988 20 5 FFBDLO COCc1ccnc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c1 ZINC001585191634 1079436384 /nfs/dbraw/zinc/43/63/84/1079436384.db2.gz VAFFDYHZRAOJAJ-UHFFFAOYSA-N 1 2 353.338 2.574 20 5 FFBDLO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001588787959 1080196892 /nfs/dbraw/zinc/19/68/92/1080196892.db2.gz RNJZKBXWQQRRQC-MRXNPFEDSA-N 1 2 369.356 2.684 20 5 FFBDLO COc1cc(C[N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)ccc1O ZINC000267407914 251346758 /nfs/dbraw/zinc/34/67/58/251346758.db2.gz SLJUDYLABFAESZ-UHFFFAOYSA-N 1 2 360.366 2.808 20 5 FFBDLO COc1cc(C[N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)ccc1O ZINC000267407914 251346762 /nfs/dbraw/zinc/34/67/62/251346762.db2.gz SLJUDYLABFAESZ-UHFFFAOYSA-N 1 2 360.366 2.808 20 5 FFBDLO CC(C)[N@@H+]1CCc2nc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)sc2C1 ZINC000273499354 252318657 /nfs/dbraw/zinc/31/86/57/252318657.db2.gz NRINYGYBSOVEEK-UHFFFAOYSA-N 1 2 362.411 2.776 20 5 FFBDLO CC(C)[N@H+]1CCc2nc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)sc2C1 ZINC000273499354 252318658 /nfs/dbraw/zinc/31/86/58/252318658.db2.gz NRINYGYBSOVEEK-UHFFFAOYSA-N 1 2 362.411 2.776 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000276091361 256071803 /nfs/dbraw/zinc/07/18/03/256071803.db2.gz WBAVRDSVOBYNEV-BBRMVZONSA-N 1 2 373.413 2.987 20 5 FFBDLO COc1cc(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c([N+](=O)[O-])cc1F ZINC000277764121 256236690 /nfs/dbraw/zinc/23/66/90/256236690.db2.gz MKQGBSPNCVIMIR-YMTOWFKASA-N 1 2 366.311 2.878 20 5 FFBDLO COc1cc(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c([N+](=O)[O-])cc1F ZINC000277764121 256236692 /nfs/dbraw/zinc/23/66/92/256236692.db2.gz MKQGBSPNCVIMIR-YMTOWFKASA-N 1 2 366.311 2.878 20 5 FFBDLO Cn1nccc1C1=CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000285613400 256995478 /nfs/dbraw/zinc/99/54/78/256995478.db2.gz MVWMEEVTGLQLIW-UHFFFAOYSA-N 1 2 366.381 2.668 20 5 FFBDLO Cn1nccc1C1=CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000285613400 256995479 /nfs/dbraw/zinc/99/54/79/256995479.db2.gz MVWMEEVTGLQLIW-UHFFFAOYSA-N 1 2 366.381 2.668 20 5 FFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@](F)(CO)C1 ZINC000287171772 257075689 /nfs/dbraw/zinc/07/56/89/257075689.db2.gz ZRYHYJBIJQDXQI-MEDUHNTESA-N 1 2 350.350 2.502 20 5 FFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@](F)(CO)C1 ZINC000287171772 257075690 /nfs/dbraw/zinc/07/56/90/257075690.db2.gz ZRYHYJBIJQDXQI-MEDUHNTESA-N 1 2 350.350 2.502 20 5 FFBDLO CC(=O)c1cc(N2CCC[N@H+](Cc3cscn3)CC2)ccc1[N+](=O)[O-] ZINC000287993166 257136959 /nfs/dbraw/zinc/13/69/59/257136959.db2.gz RUDNKKFEPSLYMZ-UHFFFAOYSA-N 1 2 360.439 2.966 20 5 FFBDLO CC(=O)c1cc(N2CCC[N@@H+](Cc3cscn3)CC2)ccc1[N+](=O)[O-] ZINC000287993166 257136961 /nfs/dbraw/zinc/13/69/61/257136961.db2.gz RUDNKKFEPSLYMZ-UHFFFAOYSA-N 1 2 360.439 2.966 20 5 FFBDLO COc1cc(C[N@H+]2CC=C(c3ccnn3C)CC2)c([N+](=O)[O-])cc1OC ZINC000289682954 257293508 /nfs/dbraw/zinc/29/35/08/257293508.db2.gz ZSQILKBJRBBIOB-UHFFFAOYSA-N 1 2 358.398 2.635 20 5 FFBDLO COc1cc(C[N@@H+]2CC=C(c3ccnn3C)CC2)c([N+](=O)[O-])cc1OC ZINC000289682954 257293509 /nfs/dbraw/zinc/29/35/09/257293509.db2.gz ZSQILKBJRBBIOB-UHFFFAOYSA-N 1 2 358.398 2.635 20 5 FFBDLO COCC[N@H+](Cc1ccccn1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000289791245 257299914 /nfs/dbraw/zinc/29/99/14/257299914.db2.gz LWURTXGFTVHZBP-UHFFFAOYSA-N 1 2 361.398 2.656 20 5 FFBDLO COCC[N@@H+](Cc1ccccn1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000289791245 257299915 /nfs/dbraw/zinc/29/99/15/257299915.db2.gz LWURTXGFTVHZBP-UHFFFAOYSA-N 1 2 361.398 2.656 20 5 FFBDLO O=C1NCCN1C1CC[NH+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000290027367 257311967 /nfs/dbraw/zinc/31/19/67/257311967.db2.gz PYSQBVJGJKCKBF-UHFFFAOYSA-N 1 2 373.240 2.891 20 5 FFBDLO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[NH+](Cc2ccco2)CC1 ZINC000299630123 258012017 /nfs/dbraw/zinc/01/20/17/258012017.db2.gz WAHSLFIUUUGAFY-UHFFFAOYSA-N 1 2 354.366 2.627 20 5 FFBDLO CCOc1cccc(N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)c1[N+](=O)[O-] ZINC000302113175 258088270 /nfs/dbraw/zinc/08/82/70/258088270.db2.gz QIOJIMDFFUKJGP-GFCCVEGCSA-N 1 2 350.444 2.607 20 5 FFBDLO COc1cc(N2CC[NH+](Cc3cccc(O)c3)CC2)c([N+](=O)[O-])cc1F ZINC000301612329 258058543 /nfs/dbraw/zinc/05/85/43/258058543.db2.gz FVWFEEPFXNTWJA-UHFFFAOYSA-N 1 2 361.373 2.770 20 5 FFBDLO COc1ccc(OC)c(C[NH+]2CCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)c1 ZINC000301662510 258061923 /nfs/dbraw/zinc/06/19/23/258061923.db2.gz VBXAZEKRHKZJEA-UHFFFAOYSA-N 1 2 372.425 2.638 20 5 FFBDLO O=C1COc2cc([N+](=O)[O-])c(NCc3cc[nH+]c(N4CCCC4)c3)cc2N1 ZINC000301684631 258063232 /nfs/dbraw/zinc/06/32/32/258063232.db2.gz KXCWJWSFEJZTAV-UHFFFAOYSA-N 1 2 369.381 2.533 20 5 FFBDLO COC(=O)c1cc(N[C@@H]2CCN(c3cccc[nH+]3)C2)cc(C)c1[N+](=O)[O-] ZINC000301776109 258067062 /nfs/dbraw/zinc/06/70/62/258067062.db2.gz OAQPEIROQFCYLX-CYBMUJFWSA-N 1 2 356.382 2.776 20 5 FFBDLO CC(C)(C)[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1O ZINC000330693689 258168434 /nfs/dbraw/zinc/16/84/34/258168434.db2.gz CJYICGLAIRCLKJ-DOMZBBRYSA-N 1 2 369.849 2.916 20 5 FFBDLO CC(C)(C)[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1O ZINC000330693689 258168435 /nfs/dbraw/zinc/16/84/35/258168435.db2.gz CJYICGLAIRCLKJ-DOMZBBRYSA-N 1 2 369.849 2.916 20 5 FFBDLO CCN1CCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000332430947 258230182 /nfs/dbraw/zinc/23/01/82/258230182.db2.gz PYMKBGAOGITPPP-HNNXBMFYSA-N 1 2 358.402 2.537 20 5 FFBDLO C[C@H]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000332432158 258230270 /nfs/dbraw/zinc/23/02/70/258230270.db2.gz QFASPJDQOMTHGW-ZBEGNZNMSA-N 1 2 364.352 2.722 20 5 FFBDLO O=C(NC[C@H]1Cc2ccccc2O1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032171183 506233268 /nfs/dbraw/zinc/23/32/68/506233268.db2.gz GWTDOXJRNRBTQA-OAHLLOKOSA-N 1 2 364.361 2.514 20 5 FFBDLO O=[N+]([O-])c1cccc(CN2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)c1 ZINC000032489474 506259090 /nfs/dbraw/zinc/25/90/90/506259090.db2.gz XRCBPLAFDZZQGO-UHFFFAOYSA-N 1 2 369.421 2.684 20 5 FFBDLO O=[N+]([O-])c1cccc(C[NH+]2CCN(Cc3ccc4c(c3)OCCO4)CC2)c1 ZINC000032489474 506259097 /nfs/dbraw/zinc/25/90/97/506259097.db2.gz XRCBPLAFDZZQGO-UHFFFAOYSA-N 1 2 369.421 2.684 20 5 FFBDLO C[NH+](C)[C@@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(F)c1 ZINC000032731272 506286249 /nfs/dbraw/zinc/28/62/49/506286249.db2.gz YXGDPCIZDZWYDX-INIZCTEOSA-N 1 2 371.372 2.643 20 5 FFBDLO Cc1noc(C)c1C[NH+]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065544702 506321136 /nfs/dbraw/zinc/32/11/36/506321136.db2.gz CJILEPKLCBZQDN-UHFFFAOYSA-N 1 2 374.441 2.786 20 5 FFBDLO COCCO[C@H]1CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602629362 521444876 /nfs/dbraw/zinc/44/48/76/521444876.db2.gz NMOAFGRJQSJJJI-VIFPVBQESA-N 1 2 365.249 2.656 20 5 FFBDLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000375251988 512232920 /nfs/dbraw/zinc/23/29/20/512232920.db2.gz ZXQAWLSOJFAYEM-ZDUSSCGKSA-N 1 2 358.401 2.692 20 5 FFBDLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000375251988 512232923 /nfs/dbraw/zinc/23/29/23/512232923.db2.gz ZXQAWLSOJFAYEM-ZDUSSCGKSA-N 1 2 358.401 2.692 20 5 FFBDLO CC(C)(C)c1nc(CN2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)no1 ZINC000065968921 506403880 /nfs/dbraw/zinc/40/38/80/506403880.db2.gz XLRONYBPSWVKNB-UHFFFAOYSA-N 1 2 359.430 2.593 20 5 FFBDLO Cc1cc(N)nc(SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[nH+]1 ZINC000007048154 506528384 /nfs/dbraw/zinc/52/83/84/506528384.db2.gz NEFBSIFBTVXHAA-UHFFFAOYSA-N 1 2 353.791 2.660 20 5 FFBDLO Cc1ccn2cc(CNC(=O)NCCc3ccc([N+](=O)[O-])cc3)[nH+]c2c1 ZINC000054644117 506594276 /nfs/dbraw/zinc/59/42/76/506594276.db2.gz ANJVMABUATUEPO-UHFFFAOYSA-N 1 2 353.382 2.593 20 5 FFBDLO O=C(COc1cccc([N+](=O)[O-])c1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000067523635 506909566 /nfs/dbraw/zinc/90/95/66/506909566.db2.gz IBXGZAHZSASLGE-UHFFFAOYSA-N 1 2 370.340 2.615 20 5 FFBDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)NCc1cccc([N+](=O)[O-])c1 ZINC000067536486 506916017 /nfs/dbraw/zinc/91/60/17/506916017.db2.gz SCROMGOSPNFSRA-UHFFFAOYSA-N 1 2 365.393 2.839 20 5 FFBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000045490841 506974280 /nfs/dbraw/zinc/97/42/80/506974280.db2.gz HUJUHFOOPFGJSY-UHFFFAOYSA-N 1 2 369.425 2.932 20 5 FFBDLO COc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000018232325 507147234 /nfs/dbraw/zinc/14/72/34/507147234.db2.gz YNSXWZRZWDCXON-KRWDZBQOSA-N 1 2 355.394 2.732 20 5 FFBDLO COc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000018232325 507147240 /nfs/dbraw/zinc/14/72/40/507147240.db2.gz YNSXWZRZWDCXON-KRWDZBQOSA-N 1 2 355.394 2.732 20 5 FFBDLO Cc1cccc2[nH+]c(CNC(=O)CCNc3ccccc3[N+](=O)[O-])cn21 ZINC000068571775 507275906 /nfs/dbraw/zinc/27/59/06/507275906.db2.gz CKWYJXFFVDIXML-UHFFFAOYSA-N 1 2 353.382 2.669 20 5 FFBDLO Cc1cc(N2CCN(CC(F)F)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000057856841 507344399 /nfs/dbraw/zinc/34/43/99/507344399.db2.gz FVNWRVDYJWUJGM-UHFFFAOYSA-N 1 2 363.368 2.747 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCN(C)c2ccccc2C1 ZINC000069090127 507402855 /nfs/dbraw/zinc/40/28/55/507402855.db2.gz GJEFYVNJTPCQNJ-UHFFFAOYSA-N 1 2 354.410 2.794 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCN(C)c2ccccc2C1 ZINC000069090127 507402864 /nfs/dbraw/zinc/40/28/64/507402864.db2.gz GJEFYVNJTPCQNJ-UHFFFAOYSA-N 1 2 354.410 2.794 20 5 FFBDLO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[NH+](C2CC2)CC1 ZINC000050627466 507696362 /nfs/dbraw/zinc/69/63/62/507696362.db2.gz SQTATTDUPUCGRQ-UHFFFAOYSA-N 1 2 358.423 2.639 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1nccn1C(F)F ZINC000072765885 507850882 /nfs/dbraw/zinc/85/08/82/507850882.db2.gz MGFDVWHFIHMIGX-UHFFFAOYSA-N 1 2 367.356 2.955 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1nccn1C(F)F ZINC000072765885 507850886 /nfs/dbraw/zinc/85/08/86/507850886.db2.gz MGFDVWHFIHMIGX-UHFFFAOYSA-N 1 2 367.356 2.955 20 5 FFBDLO Cc1cnc(NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000078631000 507891620 /nfs/dbraw/zinc/89/16/20/507891620.db2.gz CUUGJKDGRGLUPI-ZIAGYGMSSA-N 1 2 357.414 2.919 20 5 FFBDLO CO[C@@]1(C)C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1(C)C ZINC000073256992 507908628 /nfs/dbraw/zinc/90/86/28/507908628.db2.gz GSDWKGZEOAABKK-QAPCUYQASA-N 1 2 358.398 2.714 20 5 FFBDLO COc1cc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc2c1OCO2 ZINC000092047764 508038010 /nfs/dbraw/zinc/03/80/10/508038010.db2.gz ZSWQOOXZSQOAME-UHFFFAOYSA-N 1 2 371.393 2.654 20 5 FFBDLO Cc1ncc(C[NH+]2CCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])CC2)s1 ZINC000110940811 508057791 /nfs/dbraw/zinc/05/77/91/508057791.db2.gz PPHFKJWGLVMPTG-VOTSOKGWSA-N 1 2 372.450 2.717 20 5 FFBDLO CCC(=O)N[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000092705871 508096495 /nfs/dbraw/zinc/09/64/95/508096495.db2.gz QAYFWGFEJIOKKG-LBPRGKRZSA-N 1 2 357.357 2.687 20 5 FFBDLO CCC(=O)N[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000092705871 508096498 /nfs/dbraw/zinc/09/64/98/508096498.db2.gz QAYFWGFEJIOKKG-LBPRGKRZSA-N 1 2 357.357 2.687 20 5 FFBDLO COc1ccc(C[N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1O ZINC000080963444 508118060 /nfs/dbraw/zinc/11/80/60/508118060.db2.gz ZHNBXYUTMLIUBR-UHFFFAOYSA-N 1 2 359.382 2.688 20 5 FFBDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1O ZINC000080963444 508118062 /nfs/dbraw/zinc/11/80/62/508118062.db2.gz ZHNBXYUTMLIUBR-UHFFFAOYSA-N 1 2 359.382 2.688 20 5 FFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000081011826 508124938 /nfs/dbraw/zinc/12/49/38/508124938.db2.gz LVFKKXKUMMPEIT-AWEZNQCLSA-N 1 2 355.394 2.819 20 5 FFBDLO Cc1ccc(NC(=O)NCc2[nH+]ccn2CC(F)(F)F)cc1[N+](=O)[O-] ZINC000076032853 508152384 /nfs/dbraw/zinc/15/23/84/508152384.db2.gz LPLGAZBAXIDWFG-UHFFFAOYSA-N 1 2 357.292 2.984 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000093901400 508159301 /nfs/dbraw/zinc/15/93/01/508159301.db2.gz KSIHMDNEYHGJDK-UHFFFAOYSA-N 1 2 354.410 2.877 20 5 FFBDLO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000377663921 512384320 /nfs/dbraw/zinc/38/43/20/512384320.db2.gz VSUDXSPVYPYSFP-UHFFFAOYSA-N 1 2 373.384 2.834 20 5 FFBDLO COc1ccccc1C[NH+]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000102760265 508284418 /nfs/dbraw/zinc/28/44/18/508284418.db2.gz JPJOWERNIIHNOV-UHFFFAOYSA-N 1 2 369.421 2.870 20 5 FFBDLO C[NH+](C)CCCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000103204840 508302301 /nfs/dbraw/zinc/30/23/01/508302301.db2.gz YFBKFTBJICGBBK-UHFFFAOYSA-N 1 2 373.409 2.561 20 5 FFBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000114779873 508346892 /nfs/dbraw/zinc/34/68/92/508346892.db2.gz UVXKFMZEGODNTN-CQSZACIVSA-N 1 2 355.398 2.901 20 5 FFBDLO Cc1ccc(CNC(=O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1F ZINC000088606341 508378853 /nfs/dbraw/zinc/37/88/53/508378853.db2.gz QPLIIFCKSWLCCO-UHFFFAOYSA-N 1 2 357.385 2.717 20 5 FFBDLO Cc1ccc(CNC(=O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1F ZINC000088606341 508378856 /nfs/dbraw/zinc/37/88/56/508378856.db2.gz QPLIIFCKSWLCCO-UHFFFAOYSA-N 1 2 357.385 2.717 20 5 FFBDLO Cc1[nH]nc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)c1[N+](=O)[O-] ZINC000116206652 508486586 /nfs/dbraw/zinc/48/65/86/508486586.db2.gz BLQMIWPWPUMONK-VIFPVBQESA-N 1 2 364.431 2.567 20 5 FFBDLO Cc1[nH]nc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)c1[N+](=O)[O-] ZINC000116206652 508486589 /nfs/dbraw/zinc/48/65/89/508486589.db2.gz BLQMIWPWPUMONK-VIFPVBQESA-N 1 2 364.431 2.567 20 5 FFBDLO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000127700748 508488499 /nfs/dbraw/zinc/48/84/99/508488499.db2.gz WQQKLXIXIYYNDJ-INIZCTEOSA-N 1 2 366.381 2.871 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+](Cc2ccncc2)C2CC2)c([N+](=O)[O-])c1 ZINC000122302740 508514816 /nfs/dbraw/zinc/51/48/16/508514816.db2.gz BTBILZODZCUAIE-UHFFFAOYSA-N 1 2 370.409 2.992 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+](Cc2ccncc2)C2CC2)c([N+](=O)[O-])c1 ZINC000122302740 508514820 /nfs/dbraw/zinc/51/48/20/508514820.db2.gz BTBILZODZCUAIE-UHFFFAOYSA-N 1 2 370.409 2.992 20 5 FFBDLO C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000122355846 508521922 /nfs/dbraw/zinc/52/19/22/508521922.db2.gz FSBGLTGEKSMIIQ-MRXNPFEDSA-N 1 2 374.485 2.896 20 5 FFBDLO COc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153289829 508568118 /nfs/dbraw/zinc/56/81/18/508568118.db2.gz WIQHPDQSMHRGLI-CQSZACIVSA-N 1 2 369.421 2.666 20 5 FFBDLO COc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153289829 508568120 /nfs/dbraw/zinc/56/81/20/508568120.db2.gz WIQHPDQSMHRGLI-CQSZACIVSA-N 1 2 369.421 2.666 20 5 FFBDLO C[C@@H]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000123161547 508645686 /nfs/dbraw/zinc/64/56/86/508645686.db2.gz RYIJYYZOLDCKAB-CJNGLKHVSA-N 1 2 360.439 2.993 20 5 FFBDLO CCc1ccc(NC(=O)C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000118867136 508688892 /nfs/dbraw/zinc/68/88/92/508688892.db2.gz OTIVEGYACSWKLB-INIZCTEOSA-N 1 2 369.425 2.677 20 5 FFBDLO CCc1ccc(NC(=O)C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000118867136 508688894 /nfs/dbraw/zinc/68/88/94/508688894.db2.gz OTIVEGYACSWKLB-INIZCTEOSA-N 1 2 369.425 2.677 20 5 FFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000118993862 508703097 /nfs/dbraw/zinc/70/30/97/508703097.db2.gz RJBXSYFNMKVKJA-CYBMUJFWSA-N 1 2 360.801 2.581 20 5 FFBDLO CN(c1ccccc1)c1ccc(C[N@@H+]2CCNC(=O)CC2)cc1[N+](=O)[O-] ZINC000119202387 508747474 /nfs/dbraw/zinc/74/74/74/508747474.db2.gz HETPKQKVEAANKC-UHFFFAOYSA-N 1 2 354.410 2.685 20 5 FFBDLO CN(c1ccccc1)c1ccc(C[N@H+]2CCNC(=O)CC2)cc1[N+](=O)[O-] ZINC000119202387 508747477 /nfs/dbraw/zinc/74/74/77/508747477.db2.gz HETPKQKVEAANKC-UHFFFAOYSA-N 1 2 354.410 2.685 20 5 FFBDLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000129920513 508780011 /nfs/dbraw/zinc/78/00/11/508780011.db2.gz VDUVURZETOJLIH-UHFFFAOYSA-N 1 2 359.357 2.818 20 5 FFBDLO C[N@H+](CCOCc1ccccc1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000154678601 508832369 /nfs/dbraw/zinc/83/23/69/508832369.db2.gz SUBURHXPDNAEBD-UHFFFAOYSA-N 1 2 369.421 2.633 20 5 FFBDLO C[N@@H+](CCOCc1ccccc1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000154678601 508832373 /nfs/dbraw/zinc/83/23/73/508832373.db2.gz SUBURHXPDNAEBD-UHFFFAOYSA-N 1 2 369.421 2.633 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+](CC)Cc2ccccn2)c([N+](=O)[O-])c1 ZINC000119828888 508872148 /nfs/dbraw/zinc/87/21/48/508872148.db2.gz YIPRTDPFBLKXBJ-UHFFFAOYSA-N 1 2 358.398 2.849 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+](CC)Cc2ccccn2)c([N+](=O)[O-])c1 ZINC000119828888 508872151 /nfs/dbraw/zinc/87/21/51/508872151.db2.gz YIPRTDPFBLKXBJ-UHFFFAOYSA-N 1 2 358.398 2.849 20 5 FFBDLO Cc1ccc(CNC(=O)[C@H](C)[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000131516777 508943861 /nfs/dbraw/zinc/94/38/61/508943861.db2.gz DZYWSCPEIYMQOS-HNNXBMFYSA-N 1 2 353.422 2.966 20 5 FFBDLO Cc1ccc(CNC(=O)[C@H](C)[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000131516777 508943866 /nfs/dbraw/zinc/94/38/66/508943866.db2.gz DZYWSCPEIYMQOS-HNNXBMFYSA-N 1 2 353.422 2.966 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCOC2(CCCC2)C1 ZINC000151312645 508997217 /nfs/dbraw/zinc/99/72/17/508997217.db2.gz SLCDVCAGZDMPNU-UHFFFAOYSA-N 1 2 356.382 2.566 20 5 FFBDLO Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)CO2 ZINC000155842843 509080576 /nfs/dbraw/zinc/08/05/76/509080576.db2.gz TWRGWYSPRIAACM-HNNXBMFYSA-N 1 2 364.361 2.952 20 5 FFBDLO COc1cc(S(=O)(=O)Nc2cccc(-n3cc[nH+]c3)c2)ccc1[N+](=O)[O-] ZINC000121369224 509170034 /nfs/dbraw/zinc/17/00/34/509170034.db2.gz GOCXKMPBRRHHMG-UHFFFAOYSA-N 1 2 374.378 2.590 20 5 FFBDLO C[C@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000266822762 509211881 /nfs/dbraw/zinc/21/18/81/509211881.db2.gz JSZCDWIIPJDXBQ-HNNXBMFYSA-N 1 2 369.421 2.918 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185510307 509213452 /nfs/dbraw/zinc/21/34/52/509213452.db2.gz JLBNEJYVTCEAFR-OAHLLOKOSA-N 1 2 369.421 2.905 20 5 FFBDLO CC(C)Cn1cc[nH+]c1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000182410432 509224831 /nfs/dbraw/zinc/22/48/31/509224831.db2.gz PHLFXAPQQGVHEB-UHFFFAOYSA-N 1 2 372.834 2.579 20 5 FFBDLO COc1cc([N+](=O)[O-])c(C(=O)NCCNc2cccc[nH+]2)cc1SC ZINC000264029720 509292058 /nfs/dbraw/zinc/29/20/58/509292058.db2.gz MHYHAAGGWMSSLI-UHFFFAOYSA-N 1 2 362.411 2.562 20 5 FFBDLO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1nccn1CC(F)(F)F ZINC000264061287 509310415 /nfs/dbraw/zinc/31/04/15/509310415.db2.gz KJXDRZHXCDAGGJ-UHFFFAOYSA-N 1 2 358.320 2.864 20 5 FFBDLO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1nccn1CC(F)(F)F ZINC000264061287 509310419 /nfs/dbraw/zinc/31/04/19/509310419.db2.gz KJXDRZHXCDAGGJ-UHFFFAOYSA-N 1 2 358.320 2.864 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000162910893 509317765 /nfs/dbraw/zinc/31/77/65/509317765.db2.gz KWRFOZLXIOPJGE-INIZCTEOSA-N 1 2 362.430 2.622 20 5 FFBDLO COCc1cccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000179237696 509333083 /nfs/dbraw/zinc/33/30/83/509333083.db2.gz DLTVQHGKYUFTBP-UHFFFAOYSA-N 1 2 369.421 2.699 20 5 FFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1[nH+]ccn1CCc1ccccc1 ZINC000176632717 509618759 /nfs/dbraw/zinc/61/87/59/509618759.db2.gz ORIPMALZEWDPIQ-UHFFFAOYSA-N 1 2 364.405 2.893 20 5 FFBDLO CC[C@@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000176698206 509645847 /nfs/dbraw/zinc/64/58/47/509645847.db2.gz NCSFOTLWZULXCW-QGZVFWFLSA-N 1 2 369.425 2.973 20 5 FFBDLO COc1cnccc1[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000189601984 509656852 /nfs/dbraw/zinc/65/68/52/509656852.db2.gz ZKRFIWTZPJWUAE-LBPRGKRZSA-N 1 2 367.365 2.675 20 5 FFBDLO Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c(OCC[NH+](C)C)c1 ZINC000180046778 509723728 /nfs/dbraw/zinc/72/37/28/509723728.db2.gz BNYWESVXJPVISG-UHFFFAOYSA-N 1 2 359.382 2.802 20 5 FFBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000183355399 509736001 /nfs/dbraw/zinc/73/60/01/509736001.db2.gz CLCWUDFLGLIEPF-UHFFFAOYSA-N 1 2 366.381 2.900 20 5 FFBDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)NCc1ccccc1[N+](=O)[O-] ZINC000193128418 509791070 /nfs/dbraw/zinc/79/10/70/509791070.db2.gz ILSDIMINJNKGKU-UHFFFAOYSA-N 1 2 369.425 2.980 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186620608 509805617 /nfs/dbraw/zinc/80/56/17/509805617.db2.gz OQRMCDPFZWTMHA-HXUWFJFHSA-N 1 2 367.405 2.973 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186620608 509805624 /nfs/dbraw/zinc/80/56/24/509805624.db2.gz OQRMCDPFZWTMHA-HXUWFJFHSA-N 1 2 367.405 2.973 20 5 FFBDLO Cc1ccc2c(n1)OCCN2C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000180477300 509945592 /nfs/dbraw/zinc/94/55/92/509945592.db2.gz CWRRTVNLMKWLKJ-UHFFFAOYSA-N 1 2 365.349 2.523 20 5 FFBDLO Cn1c[nH+]cc1CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000177231140 509950749 /nfs/dbraw/zinc/95/07/49/509950749.db2.gz NUNDYBNKDIWSSS-UHFFFAOYSA-N 1 2 369.347 2.669 20 5 FFBDLO Cc1cnc(C(C)(C)[NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)s1 ZINC000183950072 510052541 /nfs/dbraw/zinc/05/25/41/510052541.db2.gz MPLANLJTCJLJMK-UHFFFAOYSA-N 1 2 360.439 2.774 20 5 FFBDLO C[C@](O)(CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000190521081 510182072 /nfs/dbraw/zinc/18/20/72/510182072.db2.gz PCAXSGOKLJEBDJ-IBGZPJMESA-N 1 2 372.425 2.842 20 5 FFBDLO COc1cc(C[N@@H+]2CCCN(c3nccs3)CC2)c([N+](=O)[O-])cc1F ZINC000184251501 510218673 /nfs/dbraw/zinc/21/86/73/510218673.db2.gz NZTYMXIPWVORJX-UHFFFAOYSA-N 1 2 366.418 2.911 20 5 FFBDLO COc1cc(C[N@H+]2CCCN(c3nccs3)CC2)c([N+](=O)[O-])cc1F ZINC000184251501 510218678 /nfs/dbraw/zinc/21/86/78/510218678.db2.gz NZTYMXIPWVORJX-UHFFFAOYSA-N 1 2 366.418 2.911 20 5 FFBDLO C[C@H](c1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1)[NH+]1CCOCC1 ZINC000269275709 510319250 /nfs/dbraw/zinc/31/92/50/510319250.db2.gz IQOWTBQTTGEZSO-CYBMUJFWSA-N 1 2 371.393 2.946 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000194418324 510353749 /nfs/dbraw/zinc/35/37/49/510353749.db2.gz DZFREIWAEHDDTF-UHFFFAOYSA-N 1 2 352.350 2.719 20 5 FFBDLO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccco1 ZINC000184579491 510398771 /nfs/dbraw/zinc/39/87/71/510398771.db2.gz IWMLENBHNAPWSN-BXUZGUMPSA-N 1 2 363.370 2.501 20 5 FFBDLO Cc1ccc(C)c([C@H]2C[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)[C@@H](C)CO2)c1 ZINC000246434168 510488517 /nfs/dbraw/zinc/48/85/17/510488517.db2.gz BNGLURJMOXXKFH-QFBILLFUSA-N 1 2 371.437 2.835 20 5 FFBDLO Cc1ccc(C)c([C@H]2C[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)[C@@H](C)CO2)c1 ZINC000246434168 510488520 /nfs/dbraw/zinc/48/85/20/510488520.db2.gz BNGLURJMOXXKFH-QFBILLFUSA-N 1 2 371.437 2.835 20 5 FFBDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1nc(C(C)(C)C)no1 ZINC000185193338 510740152 /nfs/dbraw/zinc/74/01/52/510740152.db2.gz YSUNKXRWUDLDAI-WDEREUQCSA-N 1 2 361.402 2.953 20 5 FFBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000185380268 510828954 /nfs/dbraw/zinc/82/89/54/510828954.db2.gz MIYVIWCNWLZJPI-LBPRGKRZSA-N 1 2 360.439 2.758 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](OCC(C)C)C2)c([N+](=O)[O-])c1 ZINC000247642582 510867615 /nfs/dbraw/zinc/86/76/15/510867615.db2.gz OOUSCZZCMXIANX-HIFRSBDPSA-N 1 2 365.430 2.677 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](OCC(C)C)C2)c([N+](=O)[O-])c1 ZINC000247642582 510867616 /nfs/dbraw/zinc/86/76/16/510867616.db2.gz OOUSCZZCMXIANX-HIFRSBDPSA-N 1 2 365.430 2.677 20 5 FFBDLO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1c(F)cncc1F ZINC000285599405 510972169 /nfs/dbraw/zinc/97/21/69/510972169.db2.gz JFLBHDLXSFXZDF-SNVBAGLBSA-N 1 2 350.325 2.582 20 5 FFBDLO Cn1cc(C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c(-c2ccncc2)n1 ZINC000297533532 510981267 /nfs/dbraw/zinc/98/12/67/510981267.db2.gz ZLXVZGCZBJFUPY-UHFFFAOYSA-N 1 2 365.393 2.654 20 5 FFBDLO CC(=O)c1ccc(NC(=O)C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000282484961 510996022 /nfs/dbraw/zinc/99/60/22/510996022.db2.gz PEPODHBIQAKGHR-UHFFFAOYSA-N 1 2 355.394 2.910 20 5 FFBDLO CC(=O)c1ccc(NC(=O)C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000282484961 510996027 /nfs/dbraw/zinc/99/60/27/510996027.db2.gz PEPODHBIQAKGHR-UHFFFAOYSA-N 1 2 355.394 2.910 20 5 FFBDLO O=[N+]([O-])c1cncc(Br)c1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000270963060 511039353 /nfs/dbraw/zinc/03/93/53/511039353.db2.gz OLNLHZPOFPCHGT-SNVBAGLBSA-N 1 2 364.203 2.838 20 5 FFBDLO Cc1c(C(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000297819024 511078191 /nfs/dbraw/zinc/07/81/91/511078191.db2.gz USARDZFOGHVWHM-CQSZACIVSA-N 1 2 373.369 2.768 20 5 FFBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000279582692 511136155 /nfs/dbraw/zinc/13/61/55/511136155.db2.gz COOMXYVCJKQSQQ-UHFFFAOYSA-N 1 2 370.409 2.919 20 5 FFBDLO C[C@@]1(CCCO)CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000271416084 511197209 /nfs/dbraw/zinc/19/72/09/511197209.db2.gz XXQHZJSIHKUYJC-SFHVURJKSA-N 1 2 358.398 2.548 20 5 FFBDLO CCOc1cc(C[N@@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)ccc1[N+](=O)[O-] ZINC000365189686 511308063 /nfs/dbraw/zinc/30/80/63/511308063.db2.gz LJHMSWFYJUNLAE-DJIMGWMZSA-N 1 2 350.415 2.762 20 5 FFBDLO CCOc1cc(C[N@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)ccc1[N+](=O)[O-] ZINC000365189686 511308064 /nfs/dbraw/zinc/30/80/64/511308064.db2.gz LJHMSWFYJUNLAE-DJIMGWMZSA-N 1 2 350.415 2.762 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC(F)(F)[C@@H](CO)C3)co2)cc1 ZINC000291730400 511314424 /nfs/dbraw/zinc/31/44/24/511314424.db2.gz JNQHLLCLPXAPAK-GFCCVEGCSA-N 1 2 353.325 2.699 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC(F)(F)[C@@H](CO)C3)co2)cc1 ZINC000291730400 511314431 /nfs/dbraw/zinc/31/44/31/511314431.db2.gz JNQHLLCLPXAPAK-GFCCVEGCSA-N 1 2 353.325 2.699 20 5 FFBDLO C[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000363040187 511314687 /nfs/dbraw/zinc/31/46/87/511314687.db2.gz OWFVGSPTVGXLDT-ZDUSSCGKSA-N 1 2 366.381 2.736 20 5 FFBDLO CCn1cc[nH+]c1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000295551167 511442283 /nfs/dbraw/zinc/44/22/83/511442283.db2.gz DSCJZFZNOYNSRH-UHFFFAOYSA-N 1 2 357.414 2.732 20 5 FFBDLO Cc1cc(OCC(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000295853539 511535821 /nfs/dbraw/zinc/53/58/21/511535821.db2.gz KBRLQEOYUFYQRP-MRXNPFEDSA-N 1 2 358.398 2.625 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365663039 511588875 /nfs/dbraw/zinc/58/88/75/511588875.db2.gz LTGSURVWTLKBHS-LBPRGKRZSA-N 1 2 359.386 2.748 20 5 FFBDLO Cc1[nH]nc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)c1[N+](=O)[O-] ZINC000299445629 511638096 /nfs/dbraw/zinc/63/80/96/511638096.db2.gz NETWPVHNDDMZAX-UHFFFAOYSA-N 1 2 364.431 2.567 20 5 FFBDLO COc1cccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)c1[N+](=O)[O-] ZINC000350183139 511738469 /nfs/dbraw/zinc/73/84/69/511738469.db2.gz PONVTRYYCJSUIW-BXUZGUMPSA-N 1 2 360.370 2.579 20 5 FFBDLO COc1cccc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)c1[N+](=O)[O-] ZINC000350183139 511738473 /nfs/dbraw/zinc/73/84/73/511738473.db2.gz PONVTRYYCJSUIW-BXUZGUMPSA-N 1 2 360.370 2.579 20 5 FFBDLO CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311572397 511777495 /nfs/dbraw/zinc/77/74/95/511777495.db2.gz VAJMWKPVIBKFGI-OAHLLOKOSA-N 1 2 355.394 2.647 20 5 FFBDLO CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311572397 511777498 /nfs/dbraw/zinc/77/74/98/511777498.db2.gz VAJMWKPVIBKFGI-OAHLLOKOSA-N 1 2 355.394 2.647 20 5 FFBDLO O=[N+]([O-])c1ccc(OCC[NH2+]C2(c3noc(C(F)F)n3)CCC2)cc1 ZINC000366384455 511992277 /nfs/dbraw/zinc/99/22/77/511992277.db2.gz JBJYTQZIIPNAFP-UHFFFAOYSA-N 1 2 354.313 2.963 20 5 FFBDLO Cc1nc(NC[C@@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000297192400 512056560 /nfs/dbraw/zinc/05/65/60/512056560.db2.gz QSFZKFBLYHAJEO-FZMZJTMJSA-N 1 2 363.443 2.629 20 5 FFBDLO Cc1nc(NC[C@@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000297192400 512056565 /nfs/dbraw/zinc/05/65/65/512056565.db2.gz QSFZKFBLYHAJEO-FZMZJTMJSA-N 1 2 363.443 2.629 20 5 FFBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000375712602 512468111 /nfs/dbraw/zinc/46/81/11/512468111.db2.gz TZDKTPZOMSNLGV-UHFFFAOYSA-N 1 2 371.441 2.554 20 5 FFBDLO Cc1nc([C@H]2CCCC[N@@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])no1 ZINC000375774930 512501235 /nfs/dbraw/zinc/50/12/35/512501235.db2.gz PQWPBVJNMBCVKR-OAHLLOKOSA-N 1 2 359.386 2.842 20 5 FFBDLO Cc1nc([C@H]2CCCC[N@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])no1 ZINC000375774930 512501237 /nfs/dbraw/zinc/50/12/37/512501237.db2.gz PQWPBVJNMBCVKR-OAHLLOKOSA-N 1 2 359.386 2.842 20 5 FFBDLO O=C(NCCc1cn2ccccc2[nH+]1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411245575 512540710 /nfs/dbraw/zinc/54/07/10/512540710.db2.gz PEGFABMSBUOFGN-DLBZAZTESA-N 1 2 350.378 2.705 20 5 FFBDLO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000367638503 512594377 /nfs/dbraw/zinc/59/43/77/512594377.db2.gz SGAJONZQEUXROS-VIFPVBQESA-N 1 2 365.187 2.755 20 5 FFBDLO O=C(CC[N@@H+]1CCOC[C@H]1c1ccco1)Nc1cc([N+](=O)[O-])ccc1F ZINC000375975798 512597319 /nfs/dbraw/zinc/59/73/19/512597319.db2.gz SHOWFOUHZLAJKT-HNNXBMFYSA-N 1 2 363.345 2.729 20 5 FFBDLO O=C(CC[N@H+]1CCOC[C@H]1c1ccco1)Nc1cc([N+](=O)[O-])ccc1F ZINC000375975798 512597321 /nfs/dbraw/zinc/59/73/21/512597321.db2.gz SHOWFOUHZLAJKT-HNNXBMFYSA-N 1 2 363.345 2.729 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000373974998 512601020 /nfs/dbraw/zinc/60/10/20/512601020.db2.gz SYXGJNWTHHAYSG-SUNYJGFJSA-N 1 2 350.415 2.762 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000373974998 512601023 /nfs/dbraw/zinc/60/10/23/512601023.db2.gz SYXGJNWTHHAYSG-SUNYJGFJSA-N 1 2 350.415 2.762 20 5 FFBDLO Cc1cc(N[C@H]2CCO[C@@]3(CCOC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000378414920 512748013 /nfs/dbraw/zinc/74/80/13/512748013.db2.gz LAWYUUDPIDVQKW-KXBFYZLASA-N 1 2 370.409 2.532 20 5 FFBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000374378302 512802280 /nfs/dbraw/zinc/80/22/80/512802280.db2.gz BFJQUACGTPGMCU-QWHCGFSZSA-N 1 2 360.439 2.825 20 5 FFBDLO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000376561238 512874786 /nfs/dbraw/zinc/87/47/86/512874786.db2.gz JZDFYEZBROBMKL-HNNXBMFYSA-N 1 2 355.394 2.695 20 5 FFBDLO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000376561238 512874793 /nfs/dbraw/zinc/87/47/93/512874793.db2.gz JZDFYEZBROBMKL-HNNXBMFYSA-N 1 2 355.394 2.695 20 5 FFBDLO O=C(C[NH+]1CCC([C@H]2CCOC2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000368271660 512875930 /nfs/dbraw/zinc/87/59/30/512875930.db2.gz JFMMDJUKAQJRJD-ZDUSSCGKSA-N 1 2 367.833 2.935 20 5 FFBDLO C[C@H]([NH2+][C@@H](C)c1csnn1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000412032607 512919464 /nfs/dbraw/zinc/91/94/64/512919464.db2.gz DOGCNWQCGQVWFM-YUMQZZPRSA-N 1 2 355.807 2.778 20 5 FFBDLO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000412053005 512933485 /nfs/dbraw/zinc/93/34/85/512933485.db2.gz DVAPWVXQKIZOGA-GFCCVEGCSA-N 1 2 353.369 2.850 20 5 FFBDLO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000412053005 512933487 /nfs/dbraw/zinc/93/34/87/512933487.db2.gz DVAPWVXQKIZOGA-GFCCVEGCSA-N 1 2 353.369 2.850 20 5 FFBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3ccncn3)C2)cccc1[N+](=O)[O-] ZINC000372584247 512954317 /nfs/dbraw/zinc/95/43/17/512954317.db2.gz OANYNUFAXNMLKP-CABCVRRESA-N 1 2 369.425 2.900 20 5 FFBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3ccncn3)C2)cccc1[N+](=O)[O-] ZINC000372584247 512954319 /nfs/dbraw/zinc/95/43/19/512954319.db2.gz OANYNUFAXNMLKP-CABCVRRESA-N 1 2 369.425 2.900 20 5 FFBDLO CO[C@](C)([C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000412580115 513172621 /nfs/dbraw/zinc/17/26/21/513172621.db2.gz DIKCQZBJSKDYNA-KPZWWZAWSA-N 1 2 358.398 2.714 20 5 FFBDLO COCC1(C)CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000450388554 513172821 /nfs/dbraw/zinc/17/28/21/513172821.db2.gz IJTWRDIJEISRPY-UHFFFAOYSA-N 1 2 358.398 2.669 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000446085447 513183082 /nfs/dbraw/zinc/18/30/82/513183082.db2.gz WHZZADCALZVSSB-QMTHXVAHSA-N 1 2 355.822 2.668 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000446085447 513183086 /nfs/dbraw/zinc/18/30/86/513183086.db2.gz WHZZADCALZVSSB-QMTHXVAHSA-N 1 2 355.822 2.668 20 5 FFBDLO COC[C@@H]1CCCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450682553 513302883 /nfs/dbraw/zinc/30/28/83/513302883.db2.gz OYKCTMUETOHLBE-CQSZACIVSA-N 1 2 358.398 2.669 20 5 FFBDLO CCCCc1noc([C@H](C)[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000440498109 513335623 /nfs/dbraw/zinc/33/56/23/513335623.db2.gz IZXUBFNCUUKXJW-QWHCGFSZSA-N 1 2 360.418 2.963 20 5 FFBDLO CCCCc1noc([C@H](C)[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000440498109 513335627 /nfs/dbraw/zinc/33/56/27/513335627.db2.gz IZXUBFNCUUKXJW-QWHCGFSZSA-N 1 2 360.418 2.963 20 5 FFBDLO Cc1cc(N[C@@H](C)Cc2cnn(C)c2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450843867 513365959 /nfs/dbraw/zinc/36/59/59/513365959.db2.gz OQAPSFHCCMWAQC-LBPRGKRZSA-N 1 2 352.398 2.559 20 5 FFBDLO CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC(C)(C)O1 ZINC000451033711 513472335 /nfs/dbraw/zinc/47/23/35/513472335.db2.gz YRMCNHSTCMTWPG-UHFFFAOYSA-N 1 2 358.398 2.810 20 5 FFBDLO CN(C)c1noc([C@@H]2CCCN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)C2)n1 ZINC000413253534 513549390 /nfs/dbraw/zinc/54/93/90/513549390.db2.gz VFFSULWFWFFSCR-CYBMUJFWSA-N 1 2 368.397 2.976 20 5 FFBDLO C[C@@H](O)CNc1cc(N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nc[nH+]1 ZINC000413308308 513583610 /nfs/dbraw/zinc/58/36/10/513583610.db2.gz CPIZCZHBVCCJQA-HIFRSBDPSA-N 1 2 357.414 2.562 20 5 FFBDLO C[C@@H](O)CNc1cc(N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)[nH+]cn1 ZINC000413308308 513583612 /nfs/dbraw/zinc/58/36/12/513583612.db2.gz CPIZCZHBVCCJQA-HIFRSBDPSA-N 1 2 357.414 2.562 20 5 FFBDLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)s1 ZINC000425485182 513592286 /nfs/dbraw/zinc/59/22/86/513592286.db2.gz JSOMNBSWLOPYPS-VIFPVBQESA-N 1 2 351.384 2.697 20 5 FFBDLO Cc1ccc(CCNc2ncc([N+](=O)[O-])c(C)c2Br)[nH+]c1 ZINC000413359562 513613179 /nfs/dbraw/zinc/61/31/79/513613179.db2.gz XTURLKNNZYUMIN-UHFFFAOYSA-N 1 2 351.204 2.841 20 5 FFBDLO CCOC(=O)[C@@H](C)[C@H](C)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000430502471 513669098 /nfs/dbraw/zinc/66/90/98/513669098.db2.gz RMGZGDKJGHCMMK-STQMWFEESA-N 1 2 358.398 2.782 20 5 FFBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436098693 513759960 /nfs/dbraw/zinc/75/99/60/513759960.db2.gz DHFFXBJUYZKETP-LBPRGKRZSA-N 1 2 364.380 2.835 20 5 FFBDLO COCC[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCOC1 ZINC000426514293 513965315 /nfs/dbraw/zinc/96/53/15/513965315.db2.gz CKXSWIRXXXHPOS-INIZCTEOSA-N 1 2 363.439 2.956 20 5 FFBDLO COCC[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCOC1 ZINC000426514293 513965321 /nfs/dbraw/zinc/96/53/21/513965321.db2.gz CKXSWIRXXXHPOS-INIZCTEOSA-N 1 2 363.439 2.956 20 5 FFBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCC1(F)F ZINC000451834415 514011680 /nfs/dbraw/zinc/01/16/80/514011680.db2.gz FDQBQCOSVJADPZ-LLVKDONJSA-N 1 2 350.325 2.898 20 5 FFBDLO C[C@@H](c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1)[NH+]1CCOCC1 ZINC000436987790 514063426 /nfs/dbraw/zinc/06/34/26/514063426.db2.gz KAUNXHXCDBDHGL-ZDUSSCGKSA-N 1 2 371.393 2.946 20 5 FFBDLO O=C(NCCc1[nH]cc[nH+]1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444007038 514097681 /nfs/dbraw/zinc/09/76/81/514097681.db2.gz DNJBIPRJDREBDU-UHFFFAOYSA-N 1 2 368.343 2.655 20 5 FFBDLO C[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444007522 514098270 /nfs/dbraw/zinc/09/82/70/514098270.db2.gz BHVYJUHQFQWMMD-LLVKDONJSA-N 1 2 371.387 2.736 20 5 FFBDLO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444007522 514098276 /nfs/dbraw/zinc/09/82/76/514098276.db2.gz BHVYJUHQFQWMMD-LLVKDONJSA-N 1 2 371.387 2.736 20 5 FFBDLO O=[N+]([O-])c1cccc2c(NCc3cc[nH+]c(N4CCOCC4)c3)ccnc21 ZINC000432323558 514159111 /nfs/dbraw/zinc/15/91/11/514159111.db2.gz CUITZAXXNPZFCP-UHFFFAOYSA-N 1 2 365.393 2.987 20 5 FFBDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444290369 514181987 /nfs/dbraw/zinc/18/19/87/514181987.db2.gz PBBOIEOLZGCQST-CHWSQXEVSA-N 1 2 367.424 2.985 20 5 FFBDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444290369 514181992 /nfs/dbraw/zinc/18/19/92/514181992.db2.gz PBBOIEOLZGCQST-CHWSQXEVSA-N 1 2 367.424 2.985 20 5 FFBDLO COC1([C@H](C)Nc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CCOCC1 ZINC000420640939 514211081 /nfs/dbraw/zinc/21/10/81/514211081.db2.gz NCCOZEKPFKATPO-AWEZNQCLSA-N 1 2 372.425 2.778 20 5 FFBDLO Cn1cc(Cl)c(CN[C@@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000449472474 514222616 /nfs/dbraw/zinc/22/26/16/514222616.db2.gz AIOFNNHESXNYAC-OAHLLOKOSA-N 1 2 360.805 2.594 20 5 FFBDLO CC[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](CC)CN1C(C)=O ZINC000444653281 514285625 /nfs/dbraw/zinc/28/56/25/514285625.db2.gz VNLKULVGHCEHQZ-KBPBESRZSA-N 1 2 359.430 2.692 20 5 FFBDLO CC[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](CC)CN1C(C)=O ZINC000444653281 514285637 /nfs/dbraw/zinc/28/56/37/514285637.db2.gz VNLKULVGHCEHQZ-KBPBESRZSA-N 1 2 359.430 2.692 20 5 FFBDLO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1nc2ccccc2n1C(F)F ZINC000444664467 514287502 /nfs/dbraw/zinc/28/75/02/514287502.db2.gz QXBYWFOTYWFTAN-VIFPVBQESA-N 1 2 350.329 2.924 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H]([C@H](O)C(F)(F)F)C3)nc2c1 ZINC000444725380 514305729 /nfs/dbraw/zinc/30/57/29/514305729.db2.gz GQNCXNRTEIPRKI-OTYXRUKQSA-N 1 2 358.320 2.606 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H]([C@H](O)C(F)(F)F)C3)nc2c1 ZINC000444725380 514305738 /nfs/dbraw/zinc/30/57/38/514305738.db2.gz GQNCXNRTEIPRKI-OTYXRUKQSA-N 1 2 358.320 2.606 20 5 FFBDLO CCOC[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000449862749 514396596 /nfs/dbraw/zinc/39/65/96/514396596.db2.gz YZVTYNXFNBVABN-CQSZACIVSA-N 1 2 358.398 2.669 20 5 FFBDLO C[C@H](CCc1cccn1C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449950514 514437117 /nfs/dbraw/zinc/43/71/17/514437117.db2.gz IPBJTKZNIVTNEB-CQSZACIVSA-N 1 2 367.409 2.870 20 5 FFBDLO Cc1nc([C@](C)([NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C2CC2)no1 ZINC000433305723 514452634 /nfs/dbraw/zinc/45/26/34/514452634.db2.gz OPQWUWZXNIMFRK-GOSISDBHSA-N 1 2 373.413 2.838 20 5 FFBDLO Cc1cc[nH+]cc1N1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000439316015 514530845 /nfs/dbraw/zinc/53/08/45/514530845.db2.gz KAMDVRWKIIHTKV-UHFFFAOYSA-N 1 2 355.398 2.961 20 5 FFBDLO Cc1cc[nH+]cc1N1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000439382137 514540662 /nfs/dbraw/zinc/54/06/62/514540662.db2.gz VVUWHGHALPQCNT-UHFFFAOYSA-N 1 2 355.398 2.961 20 5 FFBDLO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cccs2)CC1 ZINC000466143083 514566266 /nfs/dbraw/zinc/56/62/66/514566266.db2.gz IPLAVOHSXXSUPD-UHFFFAOYSA-N 1 2 374.466 2.726 20 5 FFBDLO O=C([C@@H]1CC[N@@H+]1Cc1ccccc1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461407095 514599864 /nfs/dbraw/zinc/59/98/64/514599864.db2.gz MFCLQNNFGHXVBL-SFHVURJKSA-N 1 2 367.405 2.590 20 5 FFBDLO O=C([C@@H]1CC[N@H+]1Cc1ccccc1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461407095 514599875 /nfs/dbraw/zinc/59/98/75/514599875.db2.gz MFCLQNNFGHXVBL-SFHVURJKSA-N 1 2 367.405 2.590 20 5 FFBDLO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3c[nH+]c[nH]3)cc2[N+](=O)[O-])C1 ZINC000479584124 514641094 /nfs/dbraw/zinc/64/10/94/514641094.db2.gz ADUGWRKEYLWPOS-CHWSQXEVSA-N 1 2 357.414 2.730 20 5 FFBDLO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3c[nH]c[nH+]3)cc2[N+](=O)[O-])C1 ZINC000479584124 514641100 /nfs/dbraw/zinc/64/11/00/514641100.db2.gz ADUGWRKEYLWPOS-CHWSQXEVSA-N 1 2 357.414 2.730 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000453575348 514696012 /nfs/dbraw/zinc/69/60/12/514696012.db2.gz NGMBUHVZKCDNDT-ZDUSSCGKSA-N 1 2 360.439 2.706 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000453575348 514696023 /nfs/dbraw/zinc/69/60/23/514696023.db2.gz NGMBUHVZKCDNDT-ZDUSSCGKSA-N 1 2 360.439 2.706 20 5 FFBDLO COC(=O)COc1ccc(C[N@@H+]2CCc3c(F)cccc3C2)cc1[N+](=O)[O-] ZINC000475694629 514764735 /nfs/dbraw/zinc/76/47/35/514764735.db2.gz HGPRDIGEJKWCFB-UHFFFAOYSA-N 1 2 374.368 2.844 20 5 FFBDLO COC(=O)COc1ccc(C[N@H+]2CCc3c(F)cccc3C2)cc1[N+](=O)[O-] ZINC000475694629 514764740 /nfs/dbraw/zinc/76/47/40/514764740.db2.gz HGPRDIGEJKWCFB-UHFFFAOYSA-N 1 2 374.368 2.844 20 5 FFBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H](CO)CC(C)(C)C ZINC000456419323 515171953 /nfs/dbraw/zinc/17/19/53/515171953.db2.gz LPEDLLAXGGIFAL-CQSZACIVSA-N 1 2 360.414 2.650 20 5 FFBDLO COc1ccc(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC000491195227 515395017 /nfs/dbraw/zinc/39/50/17/515395017.db2.gz HTFPNRXUCBVISJ-UHFFFAOYSA-N 1 2 366.377 2.778 20 5 FFBDLO O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000499650896 515399883 /nfs/dbraw/zinc/39/98/83/515399883.db2.gz WCJSTZQADAMURT-UHFFFAOYSA-N 1 2 366.333 2.583 20 5 FFBDLO CC(=Cc1cccc([N+](=O)[O-])c1)CNc1ccc(N2CCOCC2)c[nH+]1 ZINC000468639903 515450383 /nfs/dbraw/zinc/45/03/83/515450383.db2.gz UPDPPEKHYUEYRH-RVDMUPIBSA-N 1 2 354.410 2.764 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(N3CC[NH+](Cc4ccco4)CC3)n2)cc1 ZINC000486451108 515486016 /nfs/dbraw/zinc/48/60/16/515486016.db2.gz MKECXPHEXAAKPB-UHFFFAOYSA-N 1 2 355.354 2.560 20 5 FFBDLO COC(=O)[C@@H]1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1C ZINC000468747345 515501654 /nfs/dbraw/zinc/50/16/54/515501654.db2.gz DIMCWUKCPGEWAT-SWLSCSKDSA-N 1 2 356.382 2.748 20 5 FFBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000473348125 515584261 /nfs/dbraw/zinc/58/42/61/515584261.db2.gz IUDRSSRXXBLOCE-SFHVURJKSA-N 1 2 373.384 2.870 20 5 FFBDLO CC[C@@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000493365547 515625840 /nfs/dbraw/zinc/62/58/40/515625840.db2.gz QUNSEXUJHGFBHA-DYVFJYSZSA-N 1 2 353.850 2.791 20 5 FFBDLO Cn1nnc(C[NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n1 ZINC000486805282 515641589 /nfs/dbraw/zinc/64/15/89/515641589.db2.gz ZWGPIKCNGYINSK-UHFFFAOYSA-N 1 2 374.788 2.854 20 5 FFBDLO O=[N+]([O-])c1cc2ccccc2nc1NCc1[nH+]ccn1CC(F)(F)F ZINC000473512293 515642076 /nfs/dbraw/zinc/64/20/76/515642076.db2.gz JVNYGYQXJFKLMD-UHFFFAOYSA-N 1 2 351.288 2.936 20 5 FFBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1c[nH]c3ccc([N+](=O)[O-])cc13)CCC2 ZINC000505865409 515701718 /nfs/dbraw/zinc/70/17/18/515701718.db2.gz AZNSVQPGWROWIL-GFCCVEGCSA-N 1 2 353.382 2.888 20 5 FFBDLO O=C(NCCC1CC(F)(F)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000457206745 515722543 /nfs/dbraw/zinc/72/25/43/515722543.db2.gz CRAPCKUPBBZPLU-UHFFFAOYSA-N 1 2 350.325 2.946 20 5 FFBDLO C[C@H]1C[C@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000454782889 515739783 /nfs/dbraw/zinc/73/97/83/515739783.db2.gz UDCBBORTFFMGOO-GWCFXTLKSA-N 1 2 363.805 2.992 20 5 FFBDLO COc1ccc(-c2ccc(C[NH2+]Cc3cc(C(N)=O)co3)o2)c([N+](=O)[O-])c1 ZINC000494432243 515843104 /nfs/dbraw/zinc/84/31/04/515843104.db2.gz HGRGINNDFJFBEI-UHFFFAOYSA-N 1 2 371.349 2.845 20 5 FFBDLO COc1cc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000511443265 515906509 /nfs/dbraw/zinc/90/65/09/515906509.db2.gz ZOCHUGMXZKAAQY-UHFFFAOYSA-N 1 2 366.377 2.778 20 5 FFBDLO Cc1c(CNC(=O)NCc2ccc(N3CCCC3)[nH+]c2)cccc1[N+](=O)[O-] ZINC000478756703 515952981 /nfs/dbraw/zinc/95/29/81/515952981.db2.gz NDIVNDBJKMTARS-UHFFFAOYSA-N 1 2 369.425 2.898 20 5 FFBDLO C[C@H](NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000455099876 515957775 /nfs/dbraw/zinc/95/77/75/515957775.db2.gz WWDNRVIAFJHVRG-GUYCJALGSA-N 1 2 356.382 2.914 20 5 FFBDLO Cc1ccc(C[N@H+](CCO)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000483195177 515978868 /nfs/dbraw/zinc/97/88/68/515978868.db2.gz IKLOILRELCSFSQ-UHFFFAOYSA-N 1 2 367.789 2.583 20 5 FFBDLO Cc1ccc(C[N@@H+](CCO)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000483195177 515978872 /nfs/dbraw/zinc/97/88/72/515978872.db2.gz IKLOILRELCSFSQ-UHFFFAOYSA-N 1 2 367.789 2.583 20 5 FFBDLO COC(=O)c1cc(NC(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)c(C)c([N+](=O)[O-])c1 ZINC000455259168 516079135 /nfs/dbraw/zinc/07/91/35/516079135.db2.gz ABWMNJYNFRLPTM-TVQRCGJNSA-N 1 2 373.369 2.714 20 5 FFBDLO C[C@@H]1C[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C[C@@H](CO)O1 ZINC000470153404 516148601 /nfs/dbraw/zinc/14/86/01/516148601.db2.gz YLCBWFKFSGQZLS-QAPCUYQASA-N 1 2 371.437 2.944 20 5 FFBDLO C[C@@H]1C[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C[C@@H](CO)O1 ZINC000470153404 516148615 /nfs/dbraw/zinc/14/86/15/516148615.db2.gz YLCBWFKFSGQZLS-QAPCUYQASA-N 1 2 371.437 2.944 20 5 FFBDLO CCn1nc(C)c([N+](=O)[O-])c1Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000479367377 516167324 /nfs/dbraw/zinc/16/73/24/516167324.db2.gz OICAITDYEZHVNB-VXGBXAGGSA-N 1 2 360.418 2.872 20 5 FFBDLO Cn1c(C(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] ZINC000496245946 516247505 /nfs/dbraw/zinc/24/75/05/516247505.db2.gz QSBXPEREWZOZNX-UHFFFAOYSA-N 1 2 362.817 2.545 20 5 FFBDLO O=C(C[N@@H+]1CC[C@@H](COC(F)F)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000512827255 516377878 /nfs/dbraw/zinc/37/78/78/516377878.db2.gz JFYZWBXFWGZRQI-SECBINFHSA-N 1 2 363.748 2.748 20 5 FFBDLO O=C(C[N@H+]1CC[C@@H](COC(F)F)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000512827255 516377885 /nfs/dbraw/zinc/37/78/85/516377885.db2.gz JFYZWBXFWGZRQI-SECBINFHSA-N 1 2 363.748 2.748 20 5 FFBDLO COc1cc(C[NH+]2CCN(c3cncc(F)c3)CC2)c([N+](=O)[O-])cc1F ZINC000517620281 516385880 /nfs/dbraw/zinc/38/58/80/516385880.db2.gz VNDLHEWXEVIDLJ-UHFFFAOYSA-N 1 2 364.352 2.599 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](c2[nH+]ccn2C)c2ccccc2)n1 ZINC000561112330 516386736 /nfs/dbraw/zinc/38/67/36/516386736.db2.gz LQAVQDGHUFHKOB-HNNXBMFYSA-N 1 2 367.365 2.711 20 5 FFBDLO O=C(NCCc1ccccc1[N+](=O)[O-])c1ccc(Cn2cc[nH+]c2)cc1 ZINC000547767550 516551170 /nfs/dbraw/zinc/55/11/70/516551170.db2.gz XCEOSVTZMDKTTB-UHFFFAOYSA-N 1 2 350.378 2.812 20 5 FFBDLO Cc1ccc(Cc2noc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)n2)c[nH+]1 ZINC000544182559 516630545 /nfs/dbraw/zinc/63/05/45/516630545.db2.gz NLZOILAKPBOMDQ-UHFFFAOYSA-N 1 2 363.337 2.520 20 5 FFBDLO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccsc2)CC1 ZINC000548095111 516758849 /nfs/dbraw/zinc/75/88/49/516758849.db2.gz FMPBANGYMTYVLW-UHFFFAOYSA-N 1 2 374.466 2.726 20 5 FFBDLO CCOc1cc(C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)c([N+](=O)[O-])cc1OC ZINC000561818166 516784762 /nfs/dbraw/zinc/78/47/62/516784762.db2.gz ZSCKATGLMAHWTE-INIZCTEOSA-N 1 2 374.397 2.617 20 5 FFBDLO Cn1cc[nH+]c1CN1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2Cl)C1=O ZINC000541190415 516922847 /nfs/dbraw/zinc/92/28/47/516922847.db2.gz RKUUPMODOFAUGC-CQSZACIVSA-N 1 2 363.805 2.585 20 5 FFBDLO COCC1(C)CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000536884511 516964349 /nfs/dbraw/zinc/96/43/49/516964349.db2.gz FYWXSFDLRFQBOH-UHFFFAOYSA-N 1 2 355.822 2.935 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C[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](c2ccccc2)O1 ZINC000520386899 517373538 /nfs/dbraw/zinc/37/35/38/517373538.db2.gz HCZWXIWSQMNODG-XFQXTVEOSA-N 1 2 372.421 2.797 20 5 FFBDLO C[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](c2ccccc2)O1 ZINC000520386899 517373553 /nfs/dbraw/zinc/37/35/53/517373553.db2.gz HCZWXIWSQMNODG-XFQXTVEOSA-N 1 2 372.421 2.797 20 5 FFBDLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000562764821 517376989 /nfs/dbraw/zinc/37/69/89/517376989.db2.gz YGDQGIZCDUSQPN-WFBYXXMGSA-N 1 2 357.332 2.699 20 5 FFBDLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000562764821 517377001 /nfs/dbraw/zinc/37/70/01/517377001.db2.gz YGDQGIZCDUSQPN-WFBYXXMGSA-N 1 2 357.332 2.699 20 5 FFBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000537965365 517419610 /nfs/dbraw/zinc/41/96/10/517419610.db2.gz HZGZWOUDIMSIDF-UHFFFAOYSA-N 1 2 354.366 2.614 20 5 FFBDLO 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CN(C)C(=O)c1cccc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000571665320 519210265 /nfs/dbraw/zinc/21/02/65/519210265.db2.gz ZIDSNFXOOBSKLO-UHFFFAOYSA-N 1 2 355.394 2.691 20 5 FFBDLO CCOc1ccc(C(=O)NCC2CC[NH+](CC(F)F)CC2)cc1[N+](=O)[O-] ZINC000568899944 519275339 /nfs/dbraw/zinc/27/53/39/519275339.db2.gz PKULYERSDLKLDU-UHFFFAOYSA-N 1 2 371.384 2.700 20 5 FFBDLO CCOc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1F ZINC000569061617 519354340 /nfs/dbraw/zinc/35/43/40/519354340.db2.gz ZGJRRVOUZWJNLN-UHFFFAOYSA-N 1 2 360.389 2.850 20 5 FFBDLO CCc1nn(C)c(Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)c1[N+](=O)[O-] ZINC000578357892 519552647 /nfs/dbraw/zinc/55/26/47/519552647.db2.gz TUJYXYMYYSXVCR-VXGBXAGGSA-N 1 2 360.418 2.643 20 5 FFBDLO O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000597297688 519941616 /nfs/dbraw/zinc/94/16/16/519941616.db2.gz VHQJMZHGXOYNSD-SJCJKPOMSA-N 1 2 358.423 2.697 20 5 FFBDLO O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000597297688 519941622 /nfs/dbraw/zinc/94/16/22/519941622.db2.gz VHQJMZHGXOYNSD-SJCJKPOMSA-N 1 2 358.423 2.697 20 5 FFBDLO CCn1nc(C)c(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1C ZINC000602926424 519976245 /nfs/dbraw/zinc/97/62/45/519976245.db2.gz QHRQYTKDKVCVSV-UHFFFAOYSA-N 1 2 359.430 2.807 20 5 FFBDLO CCn1nc(C)c(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1C ZINC000602926424 519976253 /nfs/dbraw/zinc/97/62/53/519976253.db2.gz QHRQYTKDKVCVSV-UHFFFAOYSA-N 1 2 359.430 2.807 20 5 FFBDLO CCn1nc(C)c(C[N@H+](C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c1C ZINC000602927747 519977689 /nfs/dbraw/zinc/97/76/89/519977689.db2.gz YFHASSTUJXVKGA-CQSZACIVSA-N 1 2 359.430 2.887 20 5 FFBDLO CCn1nc(C)c(C[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c1C ZINC000602927747 519977696 /nfs/dbraw/zinc/97/76/96/519977696.db2.gz YFHASSTUJXVKGA-CQSZACIVSA-N 1 2 359.430 2.887 20 5 FFBDLO CCOC(=O)Cc1ccc(NCc2ccc(N(C)C)[nH+]c2)c([N+](=O)[O-])c1 ZINC000591896321 520072967 /nfs/dbraw/zinc/07/29/67/520072967.db2.gz KMPWXXGFAYQFPM-UHFFFAOYSA-N 1 2 358.398 2.774 20 5 FFBDLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2C[C@@H]3C[C@]3(O)C2)c([N+](=O)[O-])c1 ZINC000603094521 520074387 /nfs/dbraw/zinc/07/43/87/520074387.db2.gz WNJJHUXTRPUMJD-QSFXBCCZSA-N 1 2 367.405 2.650 20 5 FFBDLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@@H]3C[C@]3(O)C2)c([N+](=O)[O-])c1 ZINC000603094521 520074398 /nfs/dbraw/zinc/07/43/98/520074398.db2.gz WNJJHUXTRPUMJD-QSFXBCCZSA-N 1 2 367.405 2.650 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000594709269 520104648 /nfs/dbraw/zinc/10/46/48/520104648.db2.gz FETOTYGKJUWOIS-UWVGGRQHSA-N 1 2 350.400 2.738 20 5 FFBDLO Cc1nccc([C@H]2CCC[N@@H+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000603834265 520370368 /nfs/dbraw/zinc/37/03/68/520370368.db2.gz NURQUSSKTSWDGA-HNNXBMFYSA-N 1 2 369.425 2.536 20 5 FFBDLO Cc1nccc([C@H]2CCC[N@H+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000603834265 520370374 /nfs/dbraw/zinc/37/03/74/520370374.db2.gz NURQUSSKTSWDGA-HNNXBMFYSA-N 1 2 369.425 2.536 20 5 FFBDLO Cc1nccc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000603834333 520371131 /nfs/dbraw/zinc/37/11/31/520371131.db2.gz QRMDUBIPNSYRAX-DZGCQCFKSA-N 1 2 369.425 2.900 20 5 FFBDLO Cc1nccc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000603834333 520371140 /nfs/dbraw/zinc/37/11/40/520371140.db2.gz QRMDUBIPNSYRAX-DZGCQCFKSA-N 1 2 369.425 2.900 20 5 FFBDLO CCOC(=O)c1cc(C(=O)Nc2ccc3[nH+]ccn3c2)cc([N+](=O)[O-])c1 ZINC000609618943 520381643 /nfs/dbraw/zinc/38/16/43/520381643.db2.gz LFERUYISLVHBDO-UHFFFAOYSA-N 1 2 354.322 2.672 20 5 FFBDLO C[N@@H+]1CCc2c(cccc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000604490215 520576899 /nfs/dbraw/zinc/57/68/99/520576899.db2.gz DSFHGKROSRHYTL-UHFFFAOYSA-N 1 2 365.386 2.523 20 5 FFBDLO C[N@H+]1CCc2c(cccc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000604490215 520576905 /nfs/dbraw/zinc/57/69/05/520576905.db2.gz DSFHGKROSRHYTL-UHFFFAOYSA-N 1 2 365.386 2.523 20 5 FFBDLO O=C1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCN1Cc1cccc(F)c1 ZINC000610217359 520587171 /nfs/dbraw/zinc/58/71/71/520587171.db2.gz UWCDEFFUBWRONI-UHFFFAOYSA-N 1 2 357.385 2.621 20 5 FFBDLO O=C1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCN1Cc1cccc(F)c1 ZINC000610217359 520587182 /nfs/dbraw/zinc/58/71/82/520587182.db2.gz UWCDEFFUBWRONI-UHFFFAOYSA-N 1 2 357.385 2.621 20 5 FFBDLO CCCN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)[C@@H]1CC[N@H+](C)C1 ZINC000592828868 520607257 /nfs/dbraw/zinc/60/72/57/520607257.db2.gz KIKGJJUTUZZCRD-OAHLLOKOSA-N 1 2 357.414 2.541 20 5 FFBDLO CCCN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)[C@@H]1CC[N@@H+](C)C1 ZINC000592828868 520607262 /nfs/dbraw/zinc/60/72/62/520607262.db2.gz KIKGJJUTUZZCRD-OAHLLOKOSA-N 1 2 357.414 2.541 20 5 FFBDLO C[C@@H]1CN(c2ccc(CNc3ncc(F)cc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000601104994 520638200 /nfs/dbraw/zinc/63/82/00/520638200.db2.gz PRAAIQQNSXLPGC-TXEJJXNPSA-N 1 2 361.377 2.750 20 5 FFBDLO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C(F)(F)F)O1 ZINC000610413098 520673211 /nfs/dbraw/zinc/67/32/11/520673211.db2.gz CHALHPZEQHKJKC-ZWNOBZJWSA-N 1 2 361.320 2.575 20 5 FFBDLO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C(F)(F)F)O1 ZINC000610413098 520673216 /nfs/dbraw/zinc/67/32/16/520673216.db2.gz CHALHPZEQHKJKC-ZWNOBZJWSA-N 1 2 361.320 2.575 20 5 FFBDLO Cc1cccn2cc(CCNc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])[nH+]c12 ZINC000610468829 520703790 /nfs/dbraw/zinc/70/37/90/520703790.db2.gz HEUBSJCAEMRORN-UHFFFAOYSA-N 1 2 374.422 2.609 20 5 FFBDLO O=[N+]([O-])c1cnc(N2CCC[C@H](n3cc[nH+]c3)C2)c(Br)c1 ZINC000610512459 520721641 /nfs/dbraw/zinc/72/16/41/520721641.db2.gz CRGWIWOEICYXMI-JTQLQIEISA-N 1 2 352.192 2.790 20 5 FFBDLO C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccncc1 ZINC000610526129 520727513 /nfs/dbraw/zinc/72/75/13/520727513.db2.gz ITSICJHXMUAOBZ-ZDUSSCGKSA-N 1 2 351.366 2.709 20 5 FFBDLO C[C@@H]1COC2(CCCC2)C[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595815084 520742877 /nfs/dbraw/zinc/74/28/77/520742877.db2.gz LBVJYPXXPRPNMO-CQSZACIVSA-N 1 2 359.426 2.517 20 5 FFBDLO C[C@@H]1COC2(CCCC2)C[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595815084 520742883 /nfs/dbraw/zinc/74/28/83/520742883.db2.gz LBVJYPXXPRPNMO-CQSZACIVSA-N 1 2 359.426 2.517 20 5 FFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595822424 520747560 /nfs/dbraw/zinc/74/75/60/520747560.db2.gz UEJSOPRYYIWZIK-CYBMUJFWSA-N 1 2 359.426 2.813 20 5 FFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595822424 520747570 /nfs/dbraw/zinc/74/75/70/520747570.db2.gz UEJSOPRYYIWZIK-CYBMUJFWSA-N 1 2 359.426 2.813 20 5 FFBDLO COc1cc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596052679 520880459 /nfs/dbraw/zinc/88/04/59/520880459.db2.gz GXMQACIALSABJE-LBPRGKRZSA-N 1 2 355.822 2.558 20 5 FFBDLO C[C@@H]1C(=O)Nc2ccccc2C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000598951117 520937499 /nfs/dbraw/zinc/93/74/99/520937499.db2.gz ZIKGCDGPTYFUGB-CYBMUJFWSA-N 1 2 368.393 2.766 20 5 FFBDLO C[C@@H]1C(=O)Nc2ccccc2C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000598951117 520937508 /nfs/dbraw/zinc/93/75/08/520937508.db2.gz ZIKGCDGPTYFUGB-CYBMUJFWSA-N 1 2 368.393 2.766 20 5 FFBDLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000598950879 520937771 /nfs/dbraw/zinc/93/77/71/520937771.db2.gz VGZULUUYYCLVFJ-SECBINFHSA-N 1 2 354.288 2.555 20 5 FFBDLO COc1cc(N2CC[NH+](CCOC(C)C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596146428 520938618 /nfs/dbraw/zinc/93/86/18/520938618.db2.gz BBIWTSNUZLOMNM-UHFFFAOYSA-N 1 2 357.838 2.804 20 5 FFBDLO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3cc(O)ccc3[N+](=O)[O-])C2)cc1 ZINC000601881450 521003903 /nfs/dbraw/zinc/00/39/03/521003903.db2.gz NESRCWRAGZXLIL-OAHLLOKOSA-N 1 2 355.394 2.613 20 5 FFBDLO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3cc(O)ccc3[N+](=O)[O-])C2)cc1 ZINC000601881450 521003912 /nfs/dbraw/zinc/00/39/12/521003912.db2.gz NESRCWRAGZXLIL-OAHLLOKOSA-N 1 2 355.394 2.613 20 5 FFBDLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cn1 ZINC000611209287 521037549 /nfs/dbraw/zinc/03/75/49/521037549.db2.gz UYMIYILYSQSWQL-ZDUSSCGKSA-N 1 2 358.398 2.766 20 5 FFBDLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cn1 ZINC000611209287 521037551 /nfs/dbraw/zinc/03/75/51/521037551.db2.gz UYMIYILYSQSWQL-ZDUSSCGKSA-N 1 2 358.398 2.766 20 5 FFBDLO O=[N+]([O-])c1ccc2ncnc(NCc3ccc[nH+]c3N3CCCC3)c2c1 ZINC000596355486 521038623 /nfs/dbraw/zinc/03/86/23/521038623.db2.gz BKSDRUJGNGSLBN-UHFFFAOYSA-N 1 2 350.382 2.567 20 5 FFBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000599126501 521042863 /nfs/dbraw/zinc/04/28/63/521042863.db2.gz IHYHCPZRBGOMNN-OAHLLOKOSA-N 1 2 367.471 2.817 20 5 FFBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000599126501 521042873 /nfs/dbraw/zinc/04/28/73/521042873.db2.gz IHYHCPZRBGOMNN-OAHLLOKOSA-N 1 2 367.471 2.817 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000611223146 521044509 /nfs/dbraw/zinc/04/45/09/521044509.db2.gz MUIAYDDPNLHZJS-ZDUSSCGKSA-N 1 2 351.366 2.817 20 5 FFBDLO O=[N+]([O-])c1cncc(Br)c1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000611227446 521047622 /nfs/dbraw/zinc/04/76/22/521047622.db2.gz VLZVPFRQGNGLKO-JTQLQIEISA-N 1 2 352.192 2.790 20 5 FFBDLO C[C@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)c1ccccc1[N+](=O)[O-] ZINC000611408094 521139764 /nfs/dbraw/zinc/13/97/64/521139764.db2.gz PKCBSHFRCBSIJX-HNNXBMFYSA-N 1 2 369.421 2.918 20 5 FFBDLO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000611513597 521196474 /nfs/dbraw/zinc/19/64/74/521196474.db2.gz HWODMTPWENKXRQ-LBPRGKRZSA-N 1 2 366.324 2.870 20 5 FFBDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1)CC2 ZINC000599575347 521308621 /nfs/dbraw/zinc/30/86/21/521308621.db2.gz BIFKWPKUFIWWOG-KDOFPFPSSA-N 1 2 372.450 2.936 20 5 FFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599635030 521347492 /nfs/dbraw/zinc/34/74/92/521347492.db2.gz JLGGDJYZLKJPRX-BHVCSQLQSA-N 1 2 373.272 2.843 20 5 FFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599635030 521347503 /nfs/dbraw/zinc/34/75/03/521347503.db2.gz JLGGDJYZLKJPRX-BHVCSQLQSA-N 1 2 373.272 2.843 20 5 FFBDLO COCC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000594018460 521352071 /nfs/dbraw/zinc/35/20/71/521352071.db2.gz WUFXPHZFGXVBPQ-LBPRGKRZSA-N 1 2 356.728 2.620 20 5 FFBDLO COCC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000594018460 521352079 /nfs/dbraw/zinc/35/20/79/521352079.db2.gz WUFXPHZFGXVBPQ-LBPRGKRZSA-N 1 2 356.728 2.620 20 5 FFBDLO COc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)cc1[N+](=O)[O-] ZINC000611891492 521382090 /nfs/dbraw/zinc/38/20/90/521382090.db2.gz ZQUFOFLCUKWCMG-OAHLLOKOSA-N 1 2 356.382 2.602 20 5 FFBDLO COc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)cc1[N+](=O)[O-] ZINC000611891492 521382099 /nfs/dbraw/zinc/38/20/99/521382099.db2.gz 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C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)c2ncnn21 ZINC000602709392 521489835 /nfs/dbraw/zinc/48/98/35/521489835.db2.gz SRNDASYPUNBQBK-HZGVNTEJSA-N 1 2 358.221 2.806 20 5 FFBDLO CCCn1nccc1NC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000602783752 521529498 /nfs/dbraw/zinc/52/94/98/521529498.db2.gz LPHXEPCJCUKBJE-UHFFFAOYSA-N 1 2 357.414 2.804 20 5 FFBDLO CCCn1nccc1NC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000602783752 521529504 /nfs/dbraw/zinc/52/95/04/521529504.db2.gz LPHXEPCJCUKBJE-UHFFFAOYSA-N 1 2 357.414 2.804 20 5 FFBDLO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000619778293 521866472 /nfs/dbraw/zinc/86/64/72/521866472.db2.gz RGDJHLXPLPCMMI-MRXNPFEDSA-N 1 2 374.828 2.833 20 5 FFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000619778393 521866578 /nfs/dbraw/zinc/86/65/78/521866578.db2.gz VYLYHHLJDHWNFI-QGZVFWFLSA-N 1 2 359.813 2.964 20 5 FFBDLO C[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)[C@H]1c1ccc(Cl)c(F)c1 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O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000899932119 735570507 /nfs/dbraw/zinc/57/05/07/735570507.db2.gz CJUQNEDEYZZWCY-UHFFFAOYSA-N 1 2 364.764 2.745 20 5 FFBDLO C[C@@H](c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1)[NH+](C)C ZINC000785588954 738979390 /nfs/dbraw/zinc/97/93/90/738979390.db2.gz XDELFMWCBYMVIW-QMMMGPOBSA-N 1 2 355.192 2.954 20 5 FFBDLO Cc1nnc([C@H](C)OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC000785679758 738988180 /nfs/dbraw/zinc/98/81/80/738988180.db2.gz YBALGKAMRAZZTK-VIFPVBQESA-N 1 2 359.367 2.858 20 5 FFBDLO Cc1nnc(CC[N@@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)o1 ZINC000930369150 739095301 /nfs/dbraw/zinc/09/53/01/739095301.db2.gz ZAJUNVSLQSFFJU-UHFFFAOYSA-N 1 2 367.203 2.650 20 5 FFBDLO Cc1nnc(CC[N@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)o1 ZINC000930369150 739095303 /nfs/dbraw/zinc/09/53/03/739095303.db2.gz ZAJUNVSLQSFFJU-UHFFFAOYSA-N 1 2 367.203 2.650 20 5 FFBDLO Cc1nn(C[N@@H+]2CCCN(c3ccc(F)c(F)c3)CC2)cc1[N+](=O)[O-] ZINC000789443699 739353760 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/nfs/dbraw/zinc/84/40/80/739844080.db2.gz ARRMZVKAYADOAH-TYNCELHUSA-N 1 2 361.364 2.585 20 5 FFBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000935062095 739887962 /nfs/dbraw/zinc/88/79/62/739887962.db2.gz YIEWOSBYGORZSN-GFCCVEGCSA-N 1 2 358.423 2.720 20 5 FFBDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798227172 740314567 /nfs/dbraw/zinc/31/45/67/740314567.db2.gz KTHSOLPXUXVNNS-UHFFFAOYSA-N 1 2 359.766 2.998 20 5 FFBDLO O=C(O[C@H]1CC[N@H+](CCF)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000802244705 740689683 /nfs/dbraw/zinc/68/96/83/740689683.db2.gz SARNNAKXGJRGPV-ZDUSSCGKSA-N 1 2 365.386 2.919 20 5 FFBDLO O=C(O[C@H]1CC[N@@H+](CCF)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000802244705 740689685 /nfs/dbraw/zinc/68/96/85/740689685.db2.gz SARNNAKXGJRGPV-ZDUSSCGKSA-N 1 2 365.386 2.919 20 5 FFBDLO Cc1ccc(NCC[N@@H+]2CCO[C@H](C)C2)c([N+](=O)[O-])c1Br ZINC000804402184 740869544 /nfs/dbraw/zinc/86/95/44/740869544.db2.gz DIVZJFYXDMYYLR-LLVKDONJSA-N 1 2 358.236 2.798 20 5 FFBDLO Cc1ccc(NCC[N@H+]2CCO[C@H](C)C2)c([N+](=O)[O-])c1Br ZINC000804402184 740869550 /nfs/dbraw/zinc/86/95/50/740869550.db2.gz DIVZJFYXDMYYLR-LLVKDONJSA-N 1 2 358.236 2.798 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)C(C)(C)CO ZINC000824672986 743126519 /nfs/dbraw/zinc/12/65/19/743126519.db2.gz MCLDNGWPYSBBMN-AWEZNQCLSA-N 1 2 352.822 2.831 20 5 FFBDLO O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000853575467 750101961 /nfs/dbraw/zinc/10/19/61/750101961.db2.gz GHHLVCATKBRNFP-UWVGGRQHSA-N 1 2 366.215 2.612 20 5 FFBDLO O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000853575467 750101967 /nfs/dbraw/zinc/10/19/67/750101967.db2.gz GHHLVCATKBRNFP-UWVGGRQHSA-N 1 2 366.215 2.612 20 5 FFBDLO C[C@H](NC(=O)c1cc2ccccc2c2cccnc12)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896569858 971594874 /nfs/dbraw/zinc/59/48/74/971594874.db2.gz JESHXHYSVYJZLD-YWZLYKJASA-N 1 2 362.477 2.752 20 5 FFBDLO C[C@H](NC(=O)c1cc2ccccc2c2cccnc12)[C@@H]1CN(C)CC[N@H+]1C ZINC000896569858 971594878 /nfs/dbraw/zinc/59/48/78/971594878.db2.gz JESHXHYSVYJZLD-YWZLYKJASA-N 1 2 362.477 2.752 20 5 FFBDLO O=[N+]([O-])c1ccccc1-c1cnn(C[N@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1 ZINC000872688451 1013248782 /nfs/dbraw/zinc/24/87/82/1013248782.db2.gz QVELOTQELPTIGY-GXTWGEPZSA-N 1 2 370.331 2.518 20 5 FFBDLO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1 ZINC000872688451 1013248789 /nfs/dbraw/zinc/24/87/89/1013248789.db2.gz QVELOTQELPTIGY-GXTWGEPZSA-N 1 2 370.331 2.518 20 5 FFBDLO Cc1nn(C[NH+]2CCC(Oc3cnccn3)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000782894236 969836446 /nfs/dbraw/zinc/83/64/46/969836446.db2.gz QPAQQLWUABPSOC-UHFFFAOYSA-N 1 2 368.397 2.544 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000192837518 977152718 /nfs/dbraw/zinc/15/27/18/977152718.db2.gz TXXXIWDFNNSUAM-OAHLLOKOSA-N 1 2 371.393 2.614 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000192837518 977152723 /nfs/dbraw/zinc/15/27/23/977152723.db2.gz TXXXIWDFNNSUAM-OAHLLOKOSA-N 1 2 371.393 2.614 20 5 FFBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cn3nccc3-c3ccncc3)CC2)c1 ZINC000067094324 977680577 /nfs/dbraw/zinc/68/05/77/977680577.db2.gz VMBLLFFLJOJIQB-UHFFFAOYSA-N 1 2 364.409 2.633 20 5 FFBDLO Cc1ccc(-n2cc(C[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)nn2)cc1 ZINC000906299221 980622759 /nfs/dbraw/zinc/62/27/59/980622759.db2.gz AKWNRUVGKMWHJE-UHFFFAOYSA-N 1 2 367.413 2.518 20 5 FFBDLO O=[N+]([O-])c1ccccc1-c1nnc(C[NH2+][C@]2(CO)CCc3ccccc32)o1 ZINC001168264461 981241379 /nfs/dbraw/zinc/24/13/79/981241379.db2.gz IXEFYKDADMGLAL-IBGZPJMESA-N 1 2 366.377 2.568 20 5 FFBDLO Cc1cccc2c1CC[N@@H+]([C@@H]1CC(=O)N(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000729679931 981285515 /nfs/dbraw/zinc/28/55/15/981285515.db2.gz VMVSOHPDFGZVQB-GOSISDBHSA-N 1 2 365.389 2.593 20 5 FFBDLO Cc1cccc2c1CC[N@H+]([C@@H]1CC(=O)N(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000729679931 981285518 /nfs/dbraw/zinc/28/55/18/981285518.db2.gz VMVSOHPDFGZVQB-GOSISDBHSA-N 1 2 365.389 2.593 20 5 FFBDLO C[C@@H](NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000444186528 989690626 /nfs/dbraw/zinc/69/06/26/989690626.db2.gz IXUZKCUFQOMDAC-UKRRQHHQSA-N 1 2 357.414 2.979 20 5 FFBDLO CCCc1ncc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)o1 ZINC001128862782 989950964 /nfs/dbraw/zinc/95/09/64/989950964.db2.gz JLHLVDCKRZGWIF-UHFFFAOYSA-N 1 2 355.354 2.651 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000444657042 990299998 /nfs/dbraw/zinc/29/99/98/990299998.db2.gz IYIZASYJYBHTTM-GFCCVEGCSA-N 1 2 353.382 2.829 20 5 FFBDLO O=C(c1cc([N+](=O)[O-])ccc1F)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000919681657 990708703 /nfs/dbraw/zinc/70/87/03/990708703.db2.gz NIMMODKSLNCEQR-UHFFFAOYSA-N 1 2 373.384 2.571 20 5 FFBDLO COC(=O)c1ccc(OC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC000763712883 992892139 /nfs/dbraw/zinc/89/21/39/992892139.db2.gz XKRWSYPSHHIBOM-UHFFFAOYSA-N 1 2 367.317 2.786 20 5 FFBDLO C[C@H]1CC(=O)CC[C@H]1C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171874 995633673 /nfs/dbraw/zinc/63/36/73/995633673.db2.gz WGIROEPDBQFCSJ-DOPJRALCSA-N 1 2 360.410 2.718 20 5 FFBDLO C[C@H]1CC(=O)CC[C@H]1C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171874 995633675 /nfs/dbraw/zinc/63/36/75/995633675.db2.gz WGIROEPDBQFCSJ-DOPJRALCSA-N 1 2 360.410 2.718 20 5 FFBDLO Cn1ncc(C2CCC2)c1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000824498030 996978067 /nfs/dbraw/zinc/97/80/67/996978067.db2.gz UGDJMWZPOWTSQT-UHFFFAOYSA-N 1 2 355.442 2.918 20 5 FFBDLO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[NH+](CCc2ccncc2)CC1 ZINC000825100146 997197202 /nfs/dbraw/zinc/19/72/02/997197202.db2.gz VRCQKFKPTVNBBD-UHFFFAOYSA-N 1 2 374.828 2.644 20 5 FFBDLO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)OCc1ccccc1[N+](=O)[O-] ZINC000741352727 999723569 /nfs/dbraw/zinc/72/35/69/999723569.db2.gz KFIAPHFNIQRMQD-GOSISDBHSA-N 1 2 370.405 2.929 20 5 FFBDLO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)OCc1ccccc1[N+](=O)[O-] ZINC000741352727 999723572 /nfs/dbraw/zinc/72/35/72/999723572.db2.gz KFIAPHFNIQRMQD-GOSISDBHSA-N 1 2 370.405 2.929 20 5 FFBDLO Cc1c(COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cccc1[N+](=O)[O-] ZINC000741385778 999725969 /nfs/dbraw/zinc/72/59/69/999725969.db2.gz HZRZRHMBAWRBGZ-IBGZPJMESA-N 1 2 370.405 2.847 20 5 FFBDLO Cc1c(COC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cccc1[N+](=O)[O-] ZINC000741385778 999725971 /nfs/dbraw/zinc/72/59/71/999725971.db2.gz HZRZRHMBAWRBGZ-IBGZPJMESA-N 1 2 370.405 2.847 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC([N@H+](C)CC(F)F)CC1 ZINC000746483441 999998405 /nfs/dbraw/zinc/99/84/05/999998405.db2.gz XHVOFEPOFCFFEO-UHFFFAOYSA-N 1 2 370.400 2.503 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC([N@@H+](C)CC(F)F)CC1 ZINC000746483441 999998406 /nfs/dbraw/zinc/99/84/06/999998406.db2.gz XHVOFEPOFCFFEO-UHFFFAOYSA-N 1 2 370.400 2.503 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(N(C)CC(F)F)CC1 ZINC000746483441 999998407 /nfs/dbraw/zinc/99/84/07/999998407.db2.gz XHVOFEPOFCFFEO-UHFFFAOYSA-N 1 2 370.400 2.503 20 5 FFBDLO O=C(Nc1cnn2c1CCCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001171262606 1000537695 /nfs/dbraw/zinc/53/76/95/1000537695.db2.gz JKIWDEBQTROHHP-UHFFFAOYSA-N 1 2 352.354 2.566 20 5 FFBDLO CN(CC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)OC(C)(C)C ZINC000769766489 1000591193 /nfs/dbraw/zinc/59/11/93/1000591193.db2.gz JJWKZOPOUVZFCB-UHFFFAOYSA-N 1 2 363.418 2.770 20 5 FFBDLO CN(CC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)OC(C)(C)C ZINC000769766489 1000591206 /nfs/dbraw/zinc/59/12/06/1000591206.db2.gz JJWKZOPOUVZFCB-UHFFFAOYSA-N 1 2 363.418 2.770 20 5 FFBDLO C[C@H]1CCCN(c2ccc(C(=O)OCCn3cc[nH+]c3)cc2[N+](=O)[O-])C1 ZINC000771892993 1001239832 /nfs/dbraw/zinc/23/98/32/1001239832.db2.gz KZMMTTHJIJRTIM-AWEZNQCLSA-N 1 2 358.398 2.885 20 5 FFBDLO COC(=O)[C@H]1CCC[C@@H](OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000785942615 1001506070 /nfs/dbraw/zinc/50/60/70/1001506070.db2.gz IIBQIZSJODIOAV-GXTWGEPZSA-N 1 2 373.365 2.669 20 5 FFBDLO C[N@@H+](Cc1ccn(-c2ccccc2)n1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776278900 1005344791 /nfs/dbraw/zinc/34/47/91/1005344791.db2.gz WMRSJEPXLQSHDV-LJQANCHMSA-N 1 2 352.394 2.946 20 5 FFBDLO C[N@H+](Cc1ccn(-c2ccccc2)n1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776278900 1005344794 /nfs/dbraw/zinc/34/47/94/1005344794.db2.gz WMRSJEPXLQSHDV-LJQANCHMSA-N 1 2 352.394 2.946 20 5 FFBDLO O=Cc1ccc(OCC(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c([N+](=O)[O-])c1 ZINC000109265452 1005808274 /nfs/dbraw/zinc/80/82/74/1005808274.db2.gz KGEYYUCGYZLZKC-UHFFFAOYSA-N 1 2 366.333 2.815 20 5 FFBDLO COc1c(C)c[nH+]c(CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1C ZINC000747861278 1005991910 /nfs/dbraw/zinc/99/19/10/1005991910.db2.gz DOZZDJZWCQOOGX-UHFFFAOYSA-N 1 2 358.398 2.957 20 5 FFBDLO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@@H](OC3CCC3)C2)nc1-c1ccccn1 ZINC000853518027 1006425561 /nfs/dbraw/zinc/42/55/61/1006425561.db2.gz BUTVFYLQKKKOQA-OAHLLOKOSA-N 1 2 357.414 2.844 20 5 FFBDLO O=[N+]([O-])c1cn(C[N@H+]2CCC[C@@H](OC3CCC3)C2)nc1-c1ccccn1 ZINC000853518027 1006425565 /nfs/dbraw/zinc/42/55/65/1006425565.db2.gz BUTVFYLQKKKOQA-OAHLLOKOSA-N 1 2 357.414 2.844 20 5 FFBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000853570552 1006450194 /nfs/dbraw/zinc/45/01/94/1006450194.db2.gz GOTSJEYHYNLBOE-HNNXBMFYSA-N 1 2 361.398 2.741 20 5 FFBDLO CCC(C)(C)NC(=O)[C@@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000855085528 1007104130 /nfs/dbraw/zinc/10/41/30/1007104130.db2.gz JTZRGKKJKUOAPA-GFCCVEGCSA-N 1 2 374.397 2.631 20 5 FFBDLO CCC[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000855085867 1007104560 /nfs/dbraw/zinc/10/45/60/1007104560.db2.gz NVXQOQBTNZDDTR-CHWSQXEVSA-N 1 2 374.397 2.631 20 5 FFBDLO CC(C)C[C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)n1cc[nH+]c1 ZINC001135748658 1007271233 /nfs/dbraw/zinc/27/12/33/1007271233.db2.gz LYKJPKDLZIQTLW-GOSISDBHSA-N 1 2 371.441 2.727 20 5 FFBDLO CCOC(=O)C1=CC[C@@H]([NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000858509025 1008371551 /nfs/dbraw/zinc/37/15/51/1008371551.db2.gz PFWBEKRKUDTTPC-WBVHZDCISA-N 1 2 370.409 2.659 20 5 FFBDLO CC[C@@H]([NH2+]C(c1ccnn1C)c1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000858581549 1008385600 /nfs/dbraw/zinc/38/56/00/1008385600.db2.gz KRRDHZPGFWTAGE-OAHLLOKOSA-N 1 2 354.414 2.892 20 5 FFBDLO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+]2Cc2cccnc2[N+](=O)[O-])C1 ZINC000886169602 1008596893 /nfs/dbraw/zinc/59/68/93/1008596893.db2.gz BNBKVKKMCNWIGW-GOSISDBHSA-N 1 2 362.430 2.965 20 5 FFBDLO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+]2Cc2cccnc2[N+](=O)[O-])C1 ZINC000886169602 1008596905 /nfs/dbraw/zinc/59/69/05/1008596905.db2.gz BNBKVKKMCNWIGW-GOSISDBHSA-N 1 2 362.430 2.965 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@H]1CC2(CCC2)CO1)c1ccc([N+](=O)[O-])cc1 ZINC000886701503 1008828790 /nfs/dbraw/zinc/82/87/90/1008828790.db2.gz QKVPHLFKQJZHFR-IAGOWNOFSA-N 1 2 356.426 2.967 20 5 FFBDLO C[C@H]1C[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C[C@]2(CCCOC2)O1 ZINC000794901513 1010938189 /nfs/dbraw/zinc/93/81/89/1010938189.db2.gz NSBABIHOHMZGSP-KXBFYZLASA-N 1 2 372.425 2.686 20 5 FFBDLO C[C@H]1C[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C[C@]2(CCCOC2)O1 ZINC000794901513 1010938192 /nfs/dbraw/zinc/93/81/92/1010938192.db2.gz NSBABIHOHMZGSP-KXBFYZLASA-N 1 2 372.425 2.686 20 5 FFBDLO CCc1nc(C)c(COC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)o1 ZINC001274897970 1011736456 /nfs/dbraw/zinc/73/64/56/1011736456.db2.gz SJABKUFFSCTIBW-UHFFFAOYSA-N 1 2 356.338 2.996 20 5 FFBDLO C[C@@H](O)[C@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(=O)OC(C)(C)C ZINC001172911284 1012122747 /nfs/dbraw/zinc/12/27/47/1012122747.db2.gz IETGVACQOSZOCP-VMGRFDJRSA-N 1 2 364.442 2.523 20 5 FFBDLO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CCn4nccc4C3)CC2)c(F)c1 ZINC001173019549 1012192081 /nfs/dbraw/zinc/19/20/81/1012192081.db2.gz MHECWXOIDBIHSE-UHFFFAOYSA-N 1 2 363.368 2.554 20 5 FFBDLO O=[N+]([O-])c1cc(F)c(N2CCC([N@H+]3CCn4nccc4C3)CC2)c(F)c1 ZINC001173019549 1012192090 /nfs/dbraw/zinc/19/20/90/1012192090.db2.gz MHECWXOIDBIHSE-UHFFFAOYSA-N 1 2 363.368 2.554 20 5 FFBDLO CC[C@H](C)[C@H]([NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C(=O)OC ZINC001173180911 1012323238 /nfs/dbraw/zinc/32/32/38/1012323238.db2.gz ZHKWNLVLSDHCBU-USBNGQNGSA-N 1 2 356.394 2.851 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2(c3nc(C)no3)CC2)c1F ZINC001173182864 1012326668 /nfs/dbraw/zinc/32/66/68/1012326668.db2.gz VBFWKIPSVQQLGA-SECBINFHSA-N 1 2 350.350 2.644 20 5 FFBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCN(Cc2ccccc2)C(=O)C1 ZINC001173234648 1012367460 /nfs/dbraw/zinc/36/74/60/1012367460.db2.gz TVENNRGYQZWWAB-INIZCTEOSA-N 1 2 353.422 2.870 20 5 FFBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCN(Cc2ccccc2)C(=O)C1 ZINC001173234648 1012367469 /nfs/dbraw/zinc/36/74/69/1012367469.db2.gz TVENNRGYQZWWAB-INIZCTEOSA-N 1 2 353.422 2.870 20 5 FFBDLO COC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173211186 1012370380 /nfs/dbraw/zinc/37/03/80/1012370380.db2.gz QSOQKIJQYIMABJ-UGSOOPFHSA-N 1 2 358.394 2.605 20 5 FFBDLO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000935059509 1021548051 /nfs/dbraw/zinc/54/80/51/1021548051.db2.gz CJORHSHQLASWSG-CYBMUJFWSA-N 1 2 374.828 2.971 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000935678495 1021813585 /nfs/dbraw/zinc/81/35/85/1021813585.db2.gz ZDGIILKAEPZLPJ-OIISXLGYSA-N 1 2 354.410 2.838 20 5 FFBDLO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC000950055614 1023694753 /nfs/dbraw/zinc/69/47/53/1023694753.db2.gz GSHCKIRKODHEFK-QZTJIDSGSA-N 1 2 359.470 2.682 20 5 FFBDLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246202656 1025870419 /nfs/dbraw/zinc/87/04/19/1025870419.db2.gz BGRMQBJTJMHZIT-RBUKOAKNSA-N 1 2 372.421 2.734 20 5 FFBDLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246202656 1025870434 /nfs/dbraw/zinc/87/04/34/1025870434.db2.gz BGRMQBJTJMHZIT-RBUKOAKNSA-N 1 2 372.421 2.734 20 5 FFBDLO CCC[C@@H](OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(=O)OCC ZINC000838102428 1026210632 /nfs/dbraw/zinc/21/06/32/1026210632.db2.gz QWHSJGKBQTXZNJ-OAHLLOKOSA-N 1 2 361.354 2.669 20 5 FFBDLO O=[N+]([O-])c1ccc2nc(N3CC[C@@H]([NH+]4CCCC4)C(F)(F)C3)cnc2c1 ZINC001158626260 1027078198 /nfs/dbraw/zinc/07/81/98/1027078198.db2.gz ZRUZHCMUKFDMHN-OAHLLOKOSA-N 1 2 363.368 2.848 20 5 FFBDLO Cc1cc(N2CC([NH+]3C[C@H](C)O[C@@H](C)C3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001158721166 1027107893 /nfs/dbraw/zinc/10/78/93/1027107893.db2.gz VFKXATAAJBTLIE-KBPBESRZSA-N 1 2 356.426 2.749 20 5 FFBDLO CN(CCCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc[nH+]1 ZINC001153113581 1027776649 /nfs/dbraw/zinc/77/66/49/1027776649.db2.gz LSWVIEMVHGEUDH-UHFFFAOYSA-N 1 2 367.409 2.656 20 5 FFBDLO COc1nc(N[C@@H](C)c2c[nH+]c3c(C)cccn23)nc(OC)c1[N+](=O)[O-] ZINC001160682441 1027804377 /nfs/dbraw/zinc/80/43/77/1027804377.db2.gz CYRMSSJTVYGHLD-JTQLQIEISA-N 1 2 358.358 2.531 20 5 FFBDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000796029780 1028408790 /nfs/dbraw/zinc/40/87/90/1028408790.db2.gz QBNXMFONFLSHSG-OKILXGFUSA-N 1 2 363.414 2.599 20 5 FFBDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000796029780 1028408795 /nfs/dbraw/zinc/40/87/95/1028408795.db2.gz QBNXMFONFLSHSG-OKILXGFUSA-N 1 2 363.414 2.599 20 5 FFBDLO Cc1[nH]c([C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[nH+]c1C ZINC001155173191 1028612504 /nfs/dbraw/zinc/61/25/04/1028612504.db2.gz CMYIEHWBVOPSSC-AWEZNQCLSA-N 1 2 359.342 2.820 20 5 FFBDLO O=C1OCC[C@H]1[NH+]1CCC(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001162832800 1028674992 /nfs/dbraw/zinc/67/49/92/1028674992.db2.gz ITGHFVVVKDKOIZ-CYBMUJFWSA-N 1 2 373.331 2.805 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000780763471 1028799372 /nfs/dbraw/zinc/79/93/72/1028799372.db2.gz GLWWFXZESOIZDR-MSOLQXFVSA-N 1 2 370.384 2.880 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000780763444 1028800233 /nfs/dbraw/zinc/80/02/33/1028800233.db2.gz CREADKIVKXYSGO-ROUUACIJSA-N 1 2 370.384 2.880 20 5 FFBDLO COc1cc(N2CCN(c3ccc([N+](=O)[O-])c(OC(C)C)n3)CC2)cc[nH+]1 ZINC001158097788 1029732724 /nfs/dbraw/zinc/73/27/24/1029732724.db2.gz JEHLVDWPAYFMDB-UHFFFAOYSA-N 1 2 373.413 2.507 20 5 FFBDLO Cc1cc([N+](=O)[O-])cnc1N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001165691855 1030085045 /nfs/dbraw/zinc/08/50/45/1030085045.db2.gz RXMVYFMGFUNERS-HNNXBMFYSA-N 1 2 357.414 2.558 20 5 FFBDLO Cc1nn(C[NH+]2CCC(N3CCc4ccccc43)CC2)c(C)c1[N+](=O)[O-] ZINC000799942271 1031929618 /nfs/dbraw/zinc/92/96/18/1031929618.db2.gz JHKVMCMYZLWAGP-UHFFFAOYSA-N 1 2 355.442 2.893 20 5 FFBDLO COc1ccc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC001225769528 1034401009 /nfs/dbraw/zinc/40/10/09/1034401009.db2.gz MHGKCBVSLVHBOR-KRWDZBQOSA-N 1 2 358.394 2.883 20 5 FFBDLO COc1ccc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC001225769528 1034401016 /nfs/dbraw/zinc/40/10/16/1034401016.db2.gz MHGKCBVSLVHBOR-KRWDZBQOSA-N 1 2 358.394 2.883 20 5 FFBDLO C[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2I)C1 ZINC001226031348 1034499709 /nfs/dbraw/zinc/49/97/09/1034499709.db2.gz AHMUEIOINPPKRT-SNVBAGLBSA-N 1 2 362.167 2.672 20 5 FFBDLO C[N@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2I)C1 ZINC001226031348 1034499718 /nfs/dbraw/zinc/49/97/18/1034499718.db2.gz AHMUEIOINPPKRT-SNVBAGLBSA-N 1 2 362.167 2.672 20 5 FFBDLO O=c1c2cc(O[C@H]3CCc4[nH+]ccn4C3)c(O)cc2oc2cccc(O)c12 ZINC001227309168 1035501082 /nfs/dbraw/zinc/50/10/82/1035501082.db2.gz IESHUWBQRCOHJC-NSHDSACASA-N 1 2 364.357 2.948 20 5 FFBDLO CC[C@@H](OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H](C)C(=O)OC ZINC000836113839 1036245356 /nfs/dbraw/zinc/24/53/56/1036245356.db2.gz YIIJBVMPWXNOKO-XHDPSFHLSA-N 1 2 361.354 2.525 20 5 FFBDLO CC[C@H](OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@@H](C)C(=O)OC ZINC000836113808 1036246052 /nfs/dbraw/zinc/24/60/52/1036246052.db2.gz JIFWAXLNUGQEHO-ABAIWWIYSA-N 1 2 361.354 2.525 20 5 FFBDLO CC1(C)CO[C@H](CCNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC001537940886 1070297687 /nfs/dbraw/zinc/29/76/87/1070297687.db2.gz AZIXOIVOJVSNJI-CQSZACIVSA-N 1 2 358.398 2.716 20 5 FFBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)Cc2ccsc2)CC1 ZINC001254570601 1040809243 /nfs/dbraw/zinc/80/92/43/1040809243.db2.gz OLKQDNHHGULMTQ-OAHLLOKOSA-N 1 2 373.478 2.974 20 5 FFBDLO Cc1ccccc1C(=O)N1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254609346 1040836435 /nfs/dbraw/zinc/83/64/35/1040836435.db2.gz VRHZWWXHCAGJGA-LJQANCHMSA-N 1 2 365.433 2.828 20 5 FFBDLO Cn1c[nH+]cc1C1CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001263983580 1042564456 /nfs/dbraw/zinc/56/44/56/1042564456.db2.gz VDDIKIMNOYPTLO-UHFFFAOYSA-N 1 2 364.352 2.826 20 5 FFBDLO Cc1cc(S(=O)(=O)N2CCC[C@H]2c2[nH]c(C)c(C)[nH+]2)c([N+](=O)[O-])s1 ZINC001309855688 1043558602 /nfs/dbraw/zinc/55/86/02/1043558602.db2.gz YXYYSNNRQDEDGW-NSHDSACASA-N 1 2 370.456 2.830 20 5 FFBDLO C[C@H](C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])n1cc[nH+]c1 ZINC001318012598 1045192610 /nfs/dbraw/zinc/19/26/10/1045192610.db2.gz GLEVXJNHEVONSJ-SNVBAGLBSA-N 1 2 371.319 2.599 20 5 FFBDLO CC(C)c1ncc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)cn1 ZINC001539896137 1070722881 /nfs/dbraw/zinc/72/28/81/1070722881.db2.gz QAMMORHFUGGKAZ-UHFFFAOYSA-N 1 2 352.354 2.946 20 5 FFBDLO O=C(NC1([C@H]2CCCO2)CCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001348792296 1054930299 /nfs/dbraw/zinc/93/02/99/1054930299.db2.gz DQCVTGLKXZJDMJ-MRXNPFEDSA-N 1 2 356.382 2.612 20 5 FFBDLO Cn1c[nH+]cc1C1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001353486497 1056445821 /nfs/dbraw/zinc/44/58/21/1056445821.db2.gz UHLWNRMCMHDQDI-UHFFFAOYSA-N 1 2 370.409 2.697 20 5 FFBDLO O=C(NCCNc1ccccc1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001444672069 1058320618 /nfs/dbraw/zinc/32/06/18/1058320618.db2.gz QASAWWYYKZAWOO-UHFFFAOYSA-N 1 2 351.366 2.622 20 5 FFBDLO Cn1c[nH+]cc1C1CCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001519059927 1058610291 /nfs/dbraw/zinc/61/02/91/1058610291.db2.gz OLNMQPVROMBRNA-IRXDYDNUSA-N 1 2 354.410 2.838 20 5 FFBDLO O=C(N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001451534460 1059125457 /nfs/dbraw/zinc/12/54/57/1059125457.db2.gz TYMBGUDQLFRANF-KKFJDGPESA-N 1 2 372.278 2.980 20 5 FFBDLO O=C(N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001451534460 1059125466 /nfs/dbraw/zinc/12/54/66/1059125466.db2.gz TYMBGUDQLFRANF-KKFJDGPESA-N 1 2 372.278 2.980 20 5 FFBDLO C[C@H]1C[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C[C@@]2(CCCOC2)O1 ZINC000848487315 1060132689 /nfs/dbraw/zinc/13/26/89/1060132689.db2.gz QZDHWVIZZMTFLP-HNAYVOBHSA-N 1 2 372.425 2.686 20 5 FFBDLO C[C@H]1C[N@@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C[C@@]2(CCCOC2)O1 ZINC000848487315 1060132698 /nfs/dbraw/zinc/13/26/98/1060132698.db2.gz QZDHWVIZZMTFLP-HNAYVOBHSA-N 1 2 372.425 2.686 20 5 FFBDLO Cc1nn(C[NH+]2CCC(c3ccc4cccnc4n3)CC2)cc1[N+](=O)[O-] ZINC000848495217 1060156441 /nfs/dbraw/zinc/15/64/41/1060156441.db2.gz DGLDVURLQRWKDI-UHFFFAOYSA-N 1 2 352.398 2.880 20 5 FFBDLO Cn1c[nH+]cc1C1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC001520992719 1060281748 /nfs/dbraw/zinc/28/17/48/1060281748.db2.gz UUGSYPUKCDQTDL-UHFFFAOYSA-N 1 2 353.382 2.829 20 5 FFBDLO O=[N+]([O-])c1cn(Cc2[nH+]ccn2CC(F)(F)F)nc1-c1ccc(F)cn1 ZINC001459105054 1060708756 /nfs/dbraw/zinc/70/87/56/1060708756.db2.gz WNZJWQIAHWBMFI-UHFFFAOYSA-N 1 2 370.266 2.800 20 5 FFBDLO O=[N+]([O-])c1cccc(OCCN2CC[NH+](Cc3cccc(F)c3)CC2)c1 ZINC001459880229 1060836357 /nfs/dbraw/zinc/83/63/57/1060836357.db2.gz HEMWEISMSIXXRF-UHFFFAOYSA-N 1 2 359.401 2.931 20 5 FFBDLO Cc1c[nH+]c2cc(C(=O)OCc3ccc(N(C)C)c([N+](=O)[O-])c3)ccn12 ZINC001528608789 1061975738 /nfs/dbraw/zinc/97/57/38/1061975738.db2.gz DHDXBUAQWHTUIO-UHFFFAOYSA-N 1 2 354.366 2.974 20 5 FFBDLO Cc1cc(CNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])cc(C)[nH+]1 ZINC001463913850 1062326920 /nfs/dbraw/zinc/32/69/20/1062326920.db2.gz NFFGIBPUUAQQAN-UHFFFAOYSA-N 1 2 373.793 2.878 20 5 FFBDLO COC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1ccc(C)o1 ZINC001435368233 1062459285 /nfs/dbraw/zinc/45/92/85/1062459285.db2.gz DCTVHRCSRPNIBJ-CQSZACIVSA-N 1 2 370.365 2.799 20 5 FFBDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC001471937742 1064859481 /nfs/dbraw/zinc/85/94/81/1064859481.db2.gz QQYFZOJXFZHRLI-HNNXBMFYSA-N 1 2 363.458 2.733 20 5 FFBDLO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)o1 ZINC001473149199 1065208171 /nfs/dbraw/zinc/20/81/71/1065208171.db2.gz PTYUEZDAYVFJKL-AAEUAGOBSA-N 1 2 372.303 2.532 20 5 FFBDLO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)o1 ZINC001473149199 1065208177 /nfs/dbraw/zinc/20/81/77/1065208177.db2.gz PTYUEZDAYVFJKL-AAEUAGOBSA-N 1 2 372.303 2.532 20 5 FFBDLO COc1ccc(C[N@H+](CCO)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001473747762 1065345171 /nfs/dbraw/zinc/34/51/71/1065345171.db2.gz RIXJHRXXNDNJNC-UHFFFAOYSA-N 1 2 361.354 2.506 20 5 FFBDLO COc1ccc(C[N@@H+](CCO)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001473747762 1065345179 /nfs/dbraw/zinc/34/51/79/1065345179.db2.gz RIXJHRXXNDNJNC-UHFFFAOYSA-N 1 2 361.354 2.506 20 5 FFBDLO Cc1c(C[NH2+][C@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)cccc1[N+](=O)[O-] ZINC001474095180 1065455689 /nfs/dbraw/zinc/45/56/89/1065455689.db2.gz JJQXDAOPAKXHKW-CYBMUJFWSA-N 1 2 371.401 2.948 20 5 FFBDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@H](C)CO1 ZINC001584190742 1079319997 /nfs/dbraw/zinc/31/99/97/1079319997.db2.gz NKGUZFKJDTVJKT-ZIAGYGMSSA-N 1 2 363.458 2.731 20 5 FFBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@H](C)CO1 ZINC001584190742 1079320002 /nfs/dbraw/zinc/32/00/02/1079320002.db2.gz NKGUZFKJDTVJKT-ZIAGYGMSSA-N 1 2 363.458 2.731 20 5 FFBDLO CCc1[nH]c(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c[nH+]1 ZINC001558497253 1076016738 /nfs/dbraw/zinc/01/67/38/1076016738.db2.gz HRZLPRJQNWMIBS-UHFFFAOYSA-N 1 2 357.395 2.934 20 5 FFBDLO CCc1[nH]cc(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)[nH+]1 ZINC001558497253 1076016745 /nfs/dbraw/zinc/01/67/45/1076016745.db2.gz HRZLPRJQNWMIBS-UHFFFAOYSA-N 1 2 357.395 2.934 20 5 FFBDLO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC001560119992 1076230574 /nfs/dbraw/zinc/23/05/74/1076230574.db2.gz DESMRTZYTXJURE-VXGBXAGGSA-N 1 2 364.295 2.907 20 5 FFBDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC001560119992 1076230576 /nfs/dbraw/zinc/23/05/76/1076230576.db2.gz DESMRTZYTXJURE-VXGBXAGGSA-N 1 2 364.295 2.907 20 5 FFBDLO NC(=O)c1ccc(C[NH2+]Cc2c(Br)cccc2[N+](=O)[O-])cc1 ZINC001560246286 1076256593 /nfs/dbraw/zinc/25/65/93/1076256593.db2.gz SQZWWEQPLSSHHQ-UHFFFAOYSA-N 1 2 364.199 2.746 20 5 FFBDLO CCCc1nccnc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001587299724 1077037895 /nfs/dbraw/zinc/03/78/95/1077037895.db2.gz NCFOBNRZOCEWJB-UHFFFAOYSA-N 1 2 352.354 2.775 20 5 FFBDLO Cc1cccn2cc(CCNC(=O)Cc3cccc(F)c3[N+](=O)[O-])[nH+]c12 ZINC001587341945 1079777089 /nfs/dbraw/zinc/77/70/89/1079777089.db2.gz UPQGAYKVCLDYAI-UHFFFAOYSA-N 1 2 356.357 2.591 20 5 FFBDLO C[C@H](C(=O)NC1CCCCC1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000016564753 249323251 /nfs/dbraw/zinc/32/32/51/249323251.db2.gz QXXBLROWEJRTHA-OAHLLOKOSA-N 1 2 360.458 2.554 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000276278138 256086277 /nfs/dbraw/zinc/08/62/77/256086277.db2.gz MTHVNLGISZSTOR-HOCLYGCPSA-N 1 2 372.425 2.904 20 5 FFBDLO COC(=O)c1cnc(NCc2ccc(N3CCCCC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000276624391 256115920 /nfs/dbraw/zinc/11/59/20/256115920.db2.gz VEVZLEHJQFKLHS-UHFFFAOYSA-N 1 2 371.397 2.774 20 5 FFBDLO Cc1ccc(C)c(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000276794541 256131441 /nfs/dbraw/zinc/13/14/41/256131441.db2.gz JZSUJJUDSCMMDD-UHFFFAOYSA-N 1 2 364.427 2.503 20 5 FFBDLO Cc1cc(N2CC[S@](=O)C[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000277854464 256247316 /nfs/dbraw/zinc/24/73/16/256247316.db2.gz CNPKSNCGLMKGCU-VDBVYFBLSA-N 1 2 360.439 2.565 20 5 FFBDLO O=[N+]([O-])c1cc(C[NH+]2C[C@H](O)[C@@H](O)C2)ccc1Oc1ccccc1Cl ZINC000278460297 256314863 /nfs/dbraw/zinc/31/48/63/256314863.db2.gz ZTSLMLJLOVIZAU-GJZGRUSLSA-N 1 2 364.785 2.578 20 5 FFBDLO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCN(c2cccc[nH+]2)CC1 ZINC000278477449 256316970 /nfs/dbraw/zinc/31/69/70/256316970.db2.gz VBYCGACTBBHRPU-UHFFFAOYSA-N 1 2 353.304 2.730 20 5 FFBDLO CCn1nccc1C1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000278746851 256343570 /nfs/dbraw/zinc/34/35/70/256343570.db2.gz AOARRMBXWIAUKI-UHFFFAOYSA-N 1 2 357.414 2.629 20 5 FFBDLO CN(C)c1cc(F)c(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000279181668 256390409 /nfs/dbraw/zinc/39/04/09/256390409.db2.gz KGHNXOYUJZZJQX-ZDUSSCGKSA-N 1 2 361.377 2.890 20 5 FFBDLO Cc1cc(NCCC2(O)CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000286296933 257029811 /nfs/dbraw/zinc/02/98/11/257029811.db2.gz JGRRXKPNEGGCDS-UHFFFAOYSA-N 1 2 358.398 2.704 20 5 FFBDLO Cc1cc[nH+]c(C)c1NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000287567832 257096215 /nfs/dbraw/zinc/09/62/15/257096215.db2.gz QACIQYXXBFKJBG-UHFFFAOYSA-N 1 2 355.398 2.961 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCCc2occc2C1 ZINC000288831886 257230975 /nfs/dbraw/zinc/23/09/75/257230975.db2.gz NXXHSJLULCLDTK-LBPRGKRZSA-N 1 2 359.382 2.972 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCCc2occc2C1 ZINC000288831886 257230976 /nfs/dbraw/zinc/23/09/76/257230976.db2.gz NXXHSJLULCLDTK-LBPRGKRZSA-N 1 2 359.382 2.972 20 5 FFBDLO COCc1nc(CN[C@@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000289817561 257301006 /nfs/dbraw/zinc/30/10/06/257301006.db2.gz OUJUUJNFCSJYSQ-MRXNPFEDSA-N 1 2 373.438 2.810 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289885609 257304747 /nfs/dbraw/zinc/30/47/47/257304747.db2.gz MQAGCTAIWIMCGU-CQSZACIVSA-N 1 2 363.805 2.639 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289885609 257304748 /nfs/dbraw/zinc/30/47/48/257304748.db2.gz MQAGCTAIWIMCGU-CQSZACIVSA-N 1 2 363.805 2.639 20 5 FFBDLO CC(C)(CCc1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1)[N+](=O)[O-] ZINC000291124963 257384856 /nfs/dbraw/zinc/38/48/56/257384856.db2.gz VKUAIZIFCHIITC-UHFFFAOYSA-N 1 2 372.341 2.818 20 5 FFBDLO Cc1nn(C)c(N2CC[NH+]([C@@H](C)c3ccc(F)cc3F)CC2)c1[N+](=O)[O-] ZINC000301211822 258034336 /nfs/dbraw/zinc/03/43/36/258034336.db2.gz VLXWXDHKTTYCPE-LBPRGKRZSA-N 1 2 365.384 2.798 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000301216956 258034667 /nfs/dbraw/zinc/03/46/67/258034667.db2.gz ZCWAZXRUWISKGF-UHFFFAOYSA-N 1 2 369.425 2.612 20 5 FFBDLO Cc1ccnc(NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)c1[N+](=O)[O-] ZINC000301298549 258040864 /nfs/dbraw/zinc/04/08/64/258040864.db2.gz PYORKPIDJXIIER-OKILXGFUSA-N 1 2 357.414 2.919 20 5 FFBDLO COc1ccccc1C[NH+]1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000301296559 258040874 /nfs/dbraw/zinc/04/08/74/258040874.db2.gz XUOXNHXUZKWTIO-UHFFFAOYSA-N 1 2 362.817 2.974 20 5 FFBDLO O=C1COc2cc([N+](=O)[O-])c(NCc3ccccc3-n3cc[nH+]c3)cc2N1 ZINC000302631385 258107199 /nfs/dbraw/zinc/10/71/99/258107199.db2.gz GPECXPMGGPSLKF-UHFFFAOYSA-N 1 2 365.349 2.724 20 5 FFBDLO CCCN1CCCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CC1=O ZINC000302792865 258110742 /nfs/dbraw/zinc/11/07/42/258110742.db2.gz ZKHBENXQZJRULT-UHFFFAOYSA-N 1 2 369.425 2.809 20 5 FFBDLO CCc1cc(N[C@@H]2CCC[C@@H]2C(N)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301550352 258055414 /nfs/dbraw/zinc/05/54/14/258055414.db2.gz GQKPQENJIRPDKB-LSDHHAIUSA-N 1 2 355.398 2.680 20 5 FFBDLO Cc1cc(N2CCO[C@H]([C@H]3CCCO3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301607781 258058629 /nfs/dbraw/zinc/05/86/29/258058629.db2.gz OAORXKJYXBZWAH-SJORKVTESA-N 1 2 370.409 2.744 20 5 FFBDLO COc1cc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000301641027 258060411 /nfs/dbraw/zinc/06/04/11/258060411.db2.gz MEVDAGFSQMDOQZ-QUCCMNQESA-N 1 2 369.421 2.693 20 5 FFBDLO COc1cc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000301641027 258060413 /nfs/dbraw/zinc/06/04/13/258060413.db2.gz MEVDAGFSQMDOQZ-QUCCMNQESA-N 1 2 369.421 2.693 20 5 FFBDLO CC(C)NC(=O)c1ccc(N2CC[C@H](Oc3cc[nH+]cc3)C2)c([N+](=O)[O-])c1 ZINC000301656029 258061489 /nfs/dbraw/zinc/06/14/89/258061489.db2.gz VABZPWOOCCWSDA-INIZCTEOSA-N 1 2 370.409 2.786 20 5 FFBDLO CSc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)cc1[N+](=O)[O-] ZINC000033042922 506328066 /nfs/dbraw/zinc/32/80/66/506328066.db2.gz QXZFCYAWKKOPMI-UHFFFAOYSA-N 1 2 369.406 2.827 20 5 FFBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000377207855 512167128 /nfs/dbraw/zinc/16/71/28/512167128.db2.gz ONPZHYVATGLYJA-INIZCTEOSA-N 1 2 357.414 2.977 20 5 FFBDLO O=[N+]([O-])c1ccc2nc(N3CCC([C@@H](O)c4[nH]cc[nH+]4)CC3)ccc2c1 ZINC000369085083 512220822 /nfs/dbraw/zinc/22/08/22/512220822.db2.gz PTBFSGCEMLUATA-QGZVFWFLSA-N 1 2 353.382 2.816 20 5 FFBDLO O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000054225586 506517669 /nfs/dbraw/zinc/51/76/69/506517669.db2.gz PPXQTRTYGHXCNU-UHFFFAOYSA-N 1 2 356.313 2.937 20 5 FFBDLO Cc1c(NC(=O)[C@@H](C)N2CC[NH+](Cc3ccco3)CC2)cccc1[N+](=O)[O-] ZINC000042539986 506635165 /nfs/dbraw/zinc/63/51/65/506635165.db2.gz ZWTNPERRTVCIBA-OAHLLOKOSA-N 1 2 372.425 2.641 20 5 FFBDLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000066852093 506667431 /nfs/dbraw/zinc/66/74/31/506667431.db2.gz BQYUJHXSQXPPPQ-MOXGXCLJSA-N 1 2 372.421 2.797 20 5 FFBDLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000066852093 506667444 /nfs/dbraw/zinc/66/74/44/506667444.db2.gz BQYUJHXSQXPPPQ-MOXGXCLJSA-N 1 2 372.421 2.797 20 5 FFBDLO COc1ccc(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)cc1[N+](=O)[O-] ZINC000066868715 506673406 /nfs/dbraw/zinc/67/34/06/506673406.db2.gz CNIWLPKEWAKVSG-UHFFFAOYSA-N 1 2 362.817 2.974 20 5 FFBDLO O=C(CNc1ccccc1[N+](=O)[O-])NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000068200876 507146151 /nfs/dbraw/zinc/14/61/51/507146151.db2.gz JRWINPWTOQRVJT-UHFFFAOYSA-N 1 2 359.773 2.624 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000068374953 507207464 /nfs/dbraw/zinc/20/74/64/507207464.db2.gz RAUPOLKSFQORLZ-UHFFFAOYSA-N 1 2 355.394 2.649 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000068374953 507207469 /nfs/dbraw/zinc/20/74/69/507207469.db2.gz RAUPOLKSFQORLZ-UHFFFAOYSA-N 1 2 355.394 2.649 20 5 FFBDLO O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000068519524 507253757 /nfs/dbraw/zinc/25/37/57/507253757.db2.gz BUCAZTJDCQWPMS-UHFFFAOYSA-N 1 2 366.377 2.648 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000057439431 507266371 /nfs/dbraw/zinc/26/63/71/507266371.db2.gz VXIQNCBJNZDYLV-UHFFFAOYSA-N 1 2 354.410 2.664 20 5 FFBDLO Cn1cc[nH+]c1CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000057592333 507289989 /nfs/dbraw/zinc/28/99/89/507289989.db2.gz YPCDTKSZIKLXAD-UHFFFAOYSA-N 1 2 369.347 2.669 20 5 FFBDLO Cc1c(C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000057756226 507322837 /nfs/dbraw/zinc/32/28/37/507322837.db2.gz LYKYHQCYQZVJIK-UHFFFAOYSA-N 1 2 356.304 2.934 20 5 FFBDLO Cc1cc(N2CCC(C(=O)N(C)C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000057825442 507336021 /nfs/dbraw/zinc/33/60/21/507336021.db2.gz ZLALHBXPLOFLBK-UHFFFAOYSA-N 1 2 369.425 2.665 20 5 FFBDLO CC(C)(CNc1ccc(Br)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000069447644 507492435 /nfs/dbraw/zinc/49/24/35/507492435.db2.gz HMAIIMQXVTVLDX-UHFFFAOYSA-N 1 2 358.236 2.880 20 5 FFBDLO CC(C)C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCOCC1 ZINC000026062924 507555653 /nfs/dbraw/zinc/55/56/53/507555653.db2.gz PPDPNHSADAECIT-AWEZNQCLSA-N 1 2 369.849 2.725 20 5 FFBDLO Cc1nc(C2([NH2+]CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CCCC2)no1 ZINC000063511632 507740080 /nfs/dbraw/zinc/74/00/80/507740080.db2.gz MUBJNSWYAZQTNX-UHFFFAOYSA-N 1 2 373.413 2.982 20 5 FFBDLO O=C(NCc1ccc(-n2cc[nH+]c2)nc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000031556291 507820185 /nfs/dbraw/zinc/82/01/85/507820185.db2.gz NLMRJLLWEFDVSR-UHFFFAOYSA-N 1 2 357.757 2.759 20 5 FFBDLO COc1ccc2c(c1)C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC2 ZINC000072581444 507827429 /nfs/dbraw/zinc/82/74/29/507827429.db2.gz GVMGVMCLBQEXNP-UHFFFAOYSA-N 1 2 355.394 2.909 20 5 FFBDLO COc1ccc2c(c1)C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC2 ZINC000072581444 507827431 /nfs/dbraw/zinc/82/74/31/507827431.db2.gz GVMGVMCLBQEXNP-UHFFFAOYSA-N 1 2 355.394 2.909 20 5 FFBDLO Cc1cc(N2CCCC3(C2)OCCO3)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000089603829 507850379 /nfs/dbraw/zinc/85/03/79/507850379.db2.gz FFKZSVKPEMNQEJ-UHFFFAOYSA-N 1 2 356.382 2.704 20 5 FFBDLO C[C@H](O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000089933688 507886437 /nfs/dbraw/zinc/88/64/37/507886437.db2.gz FBRDQWRJNKITAG-SDDRHHMPSA-N 1 2 355.822 2.668 20 5 FFBDLO C[C@H](O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000089933688 507886439 /nfs/dbraw/zinc/88/64/39/507886439.db2.gz FBRDQWRJNKITAG-SDDRHHMPSA-N 1 2 355.822 2.668 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000079063587 507929281 /nfs/dbraw/zinc/92/92/81/507929281.db2.gz GZZZBDREWXKINY-UHFFFAOYSA-N 1 2 352.354 2.806 20 5 FFBDLO O=C(CNc1ccccc1[N+](=O)[O-])NCCNc1ccc2ccccc2[nH+]1 ZINC000073941448 507969337 /nfs/dbraw/zinc/96/93/37/507969337.db2.gz XAEVFXGNJCIRGI-UHFFFAOYSA-N 1 2 365.393 2.783 20 5 FFBDLO COC(=O)C1([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCCCC1 ZINC000109800326 507988088 /nfs/dbraw/zinc/98/80/88/507988088.db2.gz QMIMIDUMCZKXNM-UHFFFAOYSA-N 1 2 363.414 2.697 20 5 FFBDLO CC(C)[C@]1(CO)CC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000377641237 512371985 /nfs/dbraw/zinc/37/19/85/512371985.db2.gz KOXVACIZGXKTBN-YVEFUNNKSA-N 1 2 369.849 2.916 20 5 FFBDLO CC(C)[C@]1(CO)CC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000377641237 512371990 /nfs/dbraw/zinc/37/19/90/512371990.db2.gz KOXVACIZGXKTBN-YVEFUNNKSA-N 1 2 369.849 2.916 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000091992072 508031388 /nfs/dbraw/zinc/03/13/88/508031388.db2.gz KMHKMNRGYXGNMR-UHFFFAOYSA-N 1 2 363.458 2.703 20 5 FFBDLO Cc1cc(C)n2c(C[NH+]3CCN(c4cccc([N+](=O)[O-])c4)CC3)cnc2n1 ZINC000092047928 508037681 /nfs/dbraw/zinc/03/76/81/508037681.db2.gz JIZKZPJIIRJRBA-UHFFFAOYSA-N 1 2 366.425 2.577 20 5 FFBDLO O=C(C[N@H+](Cc1ccncc1)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000093221525 508129172 /nfs/dbraw/zinc/12/91/72/508129172.db2.gz PTLIEZRLXGOKAM-UHFFFAOYSA-N 1 2 352.394 2.544 20 5 FFBDLO O=C(C[N@@H+](Cc1ccncc1)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000093221525 508129174 /nfs/dbraw/zinc/12/91/74/508129174.db2.gz PTLIEZRLXGOKAM-UHFFFAOYSA-N 1 2 352.394 2.544 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCn2c(nnc2-c2ccccc2)C1 ZINC000076183596 508167060 /nfs/dbraw/zinc/16/70/60/508167060.db2.gz KOWKMESVKGKPQS-UHFFFAOYSA-N 1 2 365.393 2.878 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCn2c(nnc2-c2ccccc2)C1 ZINC000076183596 508167063 /nfs/dbraw/zinc/16/70/63/508167063.db2.gz KOWKMESVKGKPQS-UHFFFAOYSA-N 1 2 365.393 2.878 20 5 FFBDLO CCc1nn(C)c(NC[C@H](c2ccc(C)cc2)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000094148913 508170696 /nfs/dbraw/zinc/17/06/96/508170696.db2.gz YRLABWQBFHFORY-QGZVFWFLSA-N 1 2 373.457 2.685 20 5 FFBDLO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000103465216 508313396 /nfs/dbraw/zinc/31/33/96/508313396.db2.gz QADFXIDUOIOWET-LLVKDONJSA-N 1 2 367.402 2.574 20 5 FFBDLO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000103465216 508313398 /nfs/dbraw/zinc/31/33/98/508313398.db2.gz QADFXIDUOIOWET-LLVKDONJSA-N 1 2 367.402 2.574 20 5 FFBDLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C)Cc3ccccc32)c([N+](=O)[O-])c1 ZINC000103497912 508315609 /nfs/dbraw/zinc/31/56/09/508315609.db2.gz YMIAYWOOFQWJMJ-UHFFFAOYSA-N 1 2 361.423 2.544 20 5 FFBDLO Cc1ccc(S(=O)(=O)N2CC[N@H+](C)Cc3ccccc32)c([N+](=O)[O-])c1 ZINC000103497912 508315612 /nfs/dbraw/zinc/31/56/12/508315612.db2.gz YMIAYWOOFQWJMJ-UHFFFAOYSA-N 1 2 361.423 2.544 20 5 FFBDLO O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000087188804 508341415 /nfs/dbraw/zinc/34/14/15/508341415.db2.gz COTIZOKECLZBMM-UHFFFAOYSA-N 1 2 369.421 2.998 20 5 FFBDLO C[C@H](C(=O)NCc1ccccc1F)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607490 508378990 /nfs/dbraw/zinc/37/89/90/508378990.db2.gz KMYVFBUGDTZEKV-CYBMUJFWSA-N 1 2 357.385 2.797 20 5 FFBDLO C[C@H](C(=O)NCc1ccccc1F)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607490 508378993 /nfs/dbraw/zinc/37/89/93/508378993.db2.gz KMYVFBUGDTZEKV-CYBMUJFWSA-N 1 2 357.385 2.797 20 5 FFBDLO C[C@@H]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1n1cc[nH+]c1 ZINC000134032693 508483892 /nfs/dbraw/zinc/48/38/92/508483892.db2.gz WNHHXMKOLVNZCK-DOMZBBRYSA-N 1 2 354.370 2.929 20 5 FFBDLO O=C(C[C@H]1COCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000134191497 508505618 /nfs/dbraw/zinc/50/56/18/508505618.db2.gz WFOCHYAIVWRWKX-SFHVURJKSA-N 1 2 370.405 2.947 20 5 FFBDLO O=C(C[C@H]1COCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000134191497 508505622 /nfs/dbraw/zinc/50/56/22/508505622.db2.gz WFOCHYAIVWRWKX-SFHVURJKSA-N 1 2 370.405 2.947 20 5 FFBDLO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)[N@@H+]1CCc2sccc2C1 ZINC000127925039 508522142 /nfs/dbraw/zinc/52/21/42/508522142.db2.gz INHNSECEINXKMP-NSHDSACASA-N 1 2 361.423 2.539 20 5 FFBDLO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)[N@H+]1CCc2sccc2C1 ZINC000127925039 508522146 /nfs/dbraw/zinc/52/21/46/508522146.db2.gz INHNSECEINXKMP-NSHDSACASA-N 1 2 361.423 2.539 20 5 FFBDLO Cc1nc(N2CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)sc1C ZINC000128844619 508651143 /nfs/dbraw/zinc/65/11/43/508651143.db2.gz IKWYFQPXQZAIOU-MRXNPFEDSA-N 1 2 362.455 2.524 20 5 FFBDLO C[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1C[N@H+](C)CCO1 ZINC000129099568 508683471 /nfs/dbraw/zinc/68/34/71/508683471.db2.gz LMFMKOHYXQNCLN-LRDDRELGSA-N 1 2 362.455 2.527 20 5 FFBDLO C[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1C[N@@H+](C)CCO1 ZINC000129099568 508683476 /nfs/dbraw/zinc/68/34/76/508683476.db2.gz LMFMKOHYXQNCLN-LRDDRELGSA-N 1 2 362.455 2.527 20 5 FFBDLO Cc1ccc(C[NH+](C)C)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000154026746 508701300 /nfs/dbraw/zinc/70/13/00/508701300.db2.gz OCHQFLVHTAPHBA-UHFFFAOYSA-N 1 2 355.441 2.827 20 5 FFBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000154077208 508712238 /nfs/dbraw/zinc/71/22/38/508712238.db2.gz XSCICCDHOICGBO-UHFFFAOYSA-N 1 2 362.336 2.798 20 5 FFBDLO COc1ccc(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)cc1[N+](=O)[O-] ZINC000137945103 508766921 /nfs/dbraw/zinc/76/69/21/508766921.db2.gz WYJVQDHBYXIEGK-UHFFFAOYSA-N 1 2 373.384 2.701 20 5 FFBDLO C[C@@H](Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000154806435 508859535 /nfs/dbraw/zinc/85/95/35/508859535.db2.gz CMYKKCJEGVCEDJ-KUHUBIRLSA-N 1 2 369.421 2.957 20 5 FFBDLO C[C@@H](Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000154806435 508859537 /nfs/dbraw/zinc/85/95/37/508859537.db2.gz CMYKKCJEGVCEDJ-KUHUBIRLSA-N 1 2 369.421 2.957 20 5 FFBDLO CC1CCC(N(C)C(=O)C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000120014661 508910472 /nfs/dbraw/zinc/91/04/72/508910472.db2.gz MJIPXNSDRDEBHF-UHFFFAOYSA-N 1 2 374.485 2.754 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000120223652 508953246 /nfs/dbraw/zinc/95/32/46/508953246.db2.gz IIBFGPZQFXCHOP-OAHLLOKOSA-N 1 2 362.430 2.540 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3[C@H](O)C(F)(F)F)o2)cc1 ZINC000132310291 509013312 /nfs/dbraw/zinc/01/33/12/509013312.db2.gz YLZAEENSLSGKTR-YPMHNXCESA-N 1 2 372.303 2.532 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3[C@H](O)C(F)(F)F)o2)cc1 ZINC000132310291 509013314 /nfs/dbraw/zinc/01/33/14/509013314.db2.gz YLZAEENSLSGKTR-YPMHNXCESA-N 1 2 372.303 2.532 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000126063658 509059614 /nfs/dbraw/zinc/05/96/14/509059614.db2.gz BRMVNUUQMAMYGL-ZDUSSCGKSA-N 1 2 350.400 2.542 20 5 FFBDLO O=C(C[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000151832497 509092565 /nfs/dbraw/zinc/09/25/65/509092565.db2.gz NPTMMLGACJMPDX-BBRMVZONSA-N 1 2 359.382 2.714 20 5 FFBDLO O=C(C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000151832497 509092568 /nfs/dbraw/zinc/09/25/68/509092568.db2.gz NPTMMLGACJMPDX-BBRMVZONSA-N 1 2 359.382 2.714 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCOc2cccc(F)c21 ZINC000161639870 509138822 /nfs/dbraw/zinc/13/88/22/509138822.db2.gz IYIVLJUTXFQYDV-UHFFFAOYSA-N 1 2 368.324 2.959 20 5 FFBDLO CNC(=O)c1ccc(C[N@H+](C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000121160866 509141895 /nfs/dbraw/zinc/14/18/95/509141895.db2.gz QBULPPATHIEGBB-UHFFFAOYSA-N 1 2 373.409 2.604 20 5 FFBDLO CNC(=O)c1ccc(C[N@@H+](C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000121160866 509141899 /nfs/dbraw/zinc/14/18/99/509141899.db2.gz QBULPPATHIEGBB-UHFFFAOYSA-N 1 2 373.409 2.604 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)n1 ZINC000121385545 509171149 /nfs/dbraw/zinc/17/11/49/509171149.db2.gz WPCSMMNOXKNOAT-KBPBESRZSA-N 1 2 357.414 2.919 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c(Cl)c1 ZINC000121402056 509172084 /nfs/dbraw/zinc/17/20/84/509172084.db2.gz JHCPCOHMZMRSAT-LBPRGKRZSA-N 1 2 370.818 2.887 20 5 FFBDLO Cc1ccc(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c(C)[nH+]1 ZINC000121553111 509178309 /nfs/dbraw/zinc/17/83/09/509178309.db2.gz GQLDZSICJGPXLH-UHFFFAOYSA-N 1 2 370.365 2.933 20 5 FFBDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000162648314 509272998 /nfs/dbraw/zinc/27/29/98/509272998.db2.gz MBJWMYLJAWHIOD-CYBMUJFWSA-N 1 2 372.400 2.835 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)c1 ZINC000172884103 509290013 /nfs/dbraw/zinc/29/00/13/509290013.db2.gz QPGWVBWNUHJUDI-UHFFFAOYSA-N 1 2 368.437 2.903 20 5 FFBDLO O=C(CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000182672082 509363354 /nfs/dbraw/zinc/36/33/54/509363354.db2.gz AMMDDTZYAGOCRF-UHFFFAOYSA-N 1 2 367.405 2.626 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000264197815 509375518 /nfs/dbraw/zinc/37/55/18/509375518.db2.gz ROFVLVXZERRKQF-UHFFFAOYSA-N 1 2 356.304 2.934 20 5 FFBDLO COc1cccc2c1CC[N@@H+]([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000182695167 509377992 /nfs/dbraw/zinc/37/79/92/509377992.db2.gz YHPKYLXMLPASGK-ZDUSSCGKSA-N 1 2 355.394 2.989 20 5 FFBDLO COc1cccc2c1CC[N@H+]([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000182695167 509377998 /nfs/dbraw/zinc/37/79/98/509377998.db2.gz YHPKYLXMLPASGK-ZDUSSCGKSA-N 1 2 355.394 2.989 20 5 FFBDLO COCC1=CC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000185883538 509406250 /nfs/dbraw/zinc/40/62/50/509406250.db2.gz JYXIABDDQYAGLS-LLVKDONJSA-N 1 2 353.806 2.854 20 5 FFBDLO COCC1=CC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000185883538 509406257 /nfs/dbraw/zinc/40/62/57/509406257.db2.gz JYXIABDDQYAGLS-LLVKDONJSA-N 1 2 353.806 2.854 20 5 FFBDLO C[C@H](c1cccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)c1)[NH+]1CCOCC1 ZINC000264303303 509445290 /nfs/dbraw/zinc/44/52/90/509445290.db2.gz XTRZRMDKNFCVCH-CYBMUJFWSA-N 1 2 370.409 2.823 20 5 FFBDLO CCc1nc(CN2CC[NH+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)no1 ZINC000182881405 509475030 /nfs/dbraw/zinc/47/50/30/509475030.db2.gz AWOPEOZKRGQGGL-CQSZACIVSA-N 1 2 359.430 2.727 20 5 FFBDLO COc1cc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc([N+](=O)[O-])c1C ZINC000189340779 509528344 /nfs/dbraw/zinc/52/83/44/509528344.db2.gz FYRIKAUNBILKHW-LRDDRELGSA-N 1 2 358.398 2.832 20 5 FFBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCc3c(Br)ccc(F)c3C2)n1 ZINC000186194026 509569639 /nfs/dbraw/zinc/56/96/39/509569639.db2.gz SISURKCLMOEEBQ-UHFFFAOYSA-N 1 2 369.194 2.751 20 5 FFBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCc3c(Br)ccc(F)c3C2)n1 ZINC000186194026 509569647 /nfs/dbraw/zinc/56/96/47/509569647.db2.gz SISURKCLMOEEBQ-UHFFFAOYSA-N 1 2 369.194 2.751 20 5 FFBDLO C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000189490518 509601507 /nfs/dbraw/zinc/60/15/07/509601507.db2.gz MCZMPRNQTYEFOR-IUODEOHRSA-N 1 2 350.806 2.907 20 5 FFBDLO C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000189490518 509601514 /nfs/dbraw/zinc/60/15/14/509601514.db2.gz MCZMPRNQTYEFOR-IUODEOHRSA-N 1 2 350.806 2.907 20 5 FFBDLO COc1ncc(C)cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000173506165 509636206 /nfs/dbraw/zinc/63/62/06/509636206.db2.gz LKVIWAKVIRKFQZ-UHFFFAOYSA-N 1 2 353.338 2.745 20 5 FFBDLO C[C@H](O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000264714179 509661836 /nfs/dbraw/zinc/66/18/36/509661836.db2.gz LNHUWICKLZXHDW-QWRGUYRKSA-N 1 2 355.822 2.668 20 5 FFBDLO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000264923235 509776449 /nfs/dbraw/zinc/77/64/49/509776449.db2.gz KRXDRPNANNUHET-LLVKDONJSA-N 1 2 367.365 2.592 20 5 FFBDLO CO[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1C ZINC000251694415 509816331 /nfs/dbraw/zinc/81/63/31/509816331.db2.gz JPNIIFFTPXFQIM-ZIBATOQPSA-N 1 2 355.822 2.932 20 5 FFBDLO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1C ZINC000251694415 509816328 /nfs/dbraw/zinc/81/63/28/509816328.db2.gz JPNIIFFTPXFQIM-ZIBATOQPSA-N 1 2 355.822 2.932 20 5 FFBDLO COC(=O)c1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)o1 ZINC000265181640 509905808 /nfs/dbraw/zinc/90/58/08/509905808.db2.gz NFAAIMPPDAQSOO-UHFFFAOYSA-N 1 2 356.281 2.866 20 5 FFBDLO O=C(c1ccc(O)cc1)N1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255162252 509920636 /nfs/dbraw/zinc/92/06/36/509920636.db2.gz YNRNGEQUSYQISZ-HYXAFXHYSA-N 1 2 367.405 2.772 20 5 FFBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000255359146 509924581 /nfs/dbraw/zinc/92/45/81/509924581.db2.gz SPMAEXQSKHGRTI-HYXAFXHYSA-N 1 2 353.304 2.734 20 5 FFBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000255359146 509924588 /nfs/dbraw/zinc/92/45/88/509924588.db2.gz SPMAEXQSKHGRTI-HYXAFXHYSA-N 1 2 353.304 2.734 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000177564438 510137175 /nfs/dbraw/zinc/13/71/75/510137175.db2.gz JAAGAJRTUJPWSQ-SWLSCSKDSA-N 1 2 359.386 2.915 20 5 FFBDLO Cc1cc(N2CC[S@](=O)[C@@H](C)[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000265664904 510164162 /nfs/dbraw/zinc/16/41/62/510164162.db2.gz YBJMQZHQZKKQNY-OCDDVZBJSA-N 1 2 360.439 2.706 20 5 FFBDLO COc1ccc(C[N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1O ZINC000174625118 510213321 /nfs/dbraw/zinc/21/33/21/510213321.db2.gz CCWMZDJMQPFFCY-UHFFFAOYSA-N 1 2 370.365 2.991 20 5 FFBDLO COc1ccc(C[N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1O ZINC000174625118 510213328 /nfs/dbraw/zinc/21/33/28/510213328.db2.gz CCWMZDJMQPFFCY-UHFFFAOYSA-N 1 2 370.365 2.991 20 5 FFBDLO C[N@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)Cc1ccccc1[N+](=O)[O-] ZINC000194174583 510249514 /nfs/dbraw/zinc/24/95/14/510249514.db2.gz XBSUZZHZHZUYTC-ZDUSSCGKSA-N 1 2 359.348 2.828 20 5 FFBDLO C[N@@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)Cc1ccccc1[N+](=O)[O-] ZINC000194174583 510249517 /nfs/dbraw/zinc/24/95/17/510249517.db2.gz XBSUZZHZHZUYTC-ZDUSSCGKSA-N 1 2 359.348 2.828 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000246047903 510264432 /nfs/dbraw/zinc/26/44/32/510264432.db2.gz ATJSSQWMSHWNFN-JFIYKMOQSA-N 1 2 350.415 2.762 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000246047903 510264441 /nfs/dbraw/zinc/26/44/41/510264441.db2.gz ATJSSQWMSHWNFN-JFIYKMOQSA-N 1 2 350.415 2.762 20 5 FFBDLO C[C@H](c1cccnc1)N1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000265976809 510334941 /nfs/dbraw/zinc/33/49/41/510334941.db2.gz CBLWPFRAHHJDQF-MRXNPFEDSA-N 1 2 356.426 2.747 20 5 FFBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCc3c(Br)cccc3C2)c1 ZINC000174838169 510335981 /nfs/dbraw/zinc/33/59/81/510335981.db2.gz SMAKWJKDDHWLPV-UHFFFAOYSA-N 1 2 351.204 2.612 20 5 FFBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCc3c(Br)cccc3C2)c1 ZINC000174838169 510335988 /nfs/dbraw/zinc/33/59/88/510335988.db2.gz SMAKWJKDDHWLPV-UHFFFAOYSA-N 1 2 351.204 2.612 20 5 FFBDLO COc1cc(C[N@H+](C)C[C@H](O)C(F)(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC000181334135 510360139 /nfs/dbraw/zinc/36/01/39/510360139.db2.gz DPPFMJPPMXBRML-NSHDSACASA-N 1 2 374.262 2.560 20 5 FFBDLO COc1cc(C[N@@H+](C)C[C@H](O)C(F)(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC000181334135 510360147 /nfs/dbraw/zinc/36/01/47/510360147.db2.gz DPPFMJPPMXBRML-NSHDSACASA-N 1 2 374.262 2.560 20 5 FFBDLO CCc1[nH]nc(C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1[N+](=O)[O-] ZINC000171809932 510384260 /nfs/dbraw/zinc/38/42/60/510384260.db2.gz PPHNWEYLNKEIBY-UHFFFAOYSA-N 1 2 371.441 2.617 20 5 FFBDLO CCc1[nH]nc(C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1[N+](=O)[O-] ZINC000171809932 510384266 /nfs/dbraw/zinc/38/42/66/510384266.db2.gz PPHNWEYLNKEIBY-UHFFFAOYSA-N 1 2 371.441 2.617 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194743608 510507867 /nfs/dbraw/zinc/50/78/67/510507867.db2.gz VGKGAHDZZBDIPG-GASCZTMLSA-N 1 2 363.458 2.701 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194743608 510507870 /nfs/dbraw/zinc/50/78/70/510507870.db2.gz VGKGAHDZZBDIPG-GASCZTMLSA-N 1 2 363.458 2.701 20 5 FFBDLO COc1cc(C(=O)NCCn2c(C)[nH+]c3ccccc32)cc([N+](=O)[O-])c1C ZINC000191157423 510526991 /nfs/dbraw/zinc/52/69/91/510526991.db2.gz CTMSEDZYICUKEE-UHFFFAOYSA-N 1 2 368.393 3.000 20 5 FFBDLO CCOc1cc(NCc2cc[nH+]c(N3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC000178324938 510546578 /nfs/dbraw/zinc/54/65/78/510546578.db2.gz IGMBBSSNRACNTD-UHFFFAOYSA-N 1 2 358.398 2.837 20 5 FFBDLO CCc1ccc([C@@H](COC)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000184862893 510552422 /nfs/dbraw/zinc/55/24/22/510552422.db2.gz OANQYKVSERYYER-MRXNPFEDSA-N 1 2 361.398 2.690 20 5 FFBDLO CC[NH+]1CCN(c2ccccc2NC(=O)c2ccc(O)c([N+](=O)[O-])c2)CC1 ZINC000184937251 510594128 /nfs/dbraw/zinc/59/41/28/510594128.db2.gz JROVXXYYHGEFAK-UHFFFAOYSA-N 1 2 370.409 2.695 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000191403222 510642785 /nfs/dbraw/zinc/64/27/85/510642785.db2.gz OVMPUGTXUIPOSJ-OAHLLOKOSA-N 1 2 362.430 2.540 20 5 FFBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000175451623 510653274 /nfs/dbraw/zinc/65/32/74/510653274.db2.gz OUDDXPIJKFUFSJ-OAHLLOKOSA-N 1 2 370.331 2.884 20 5 FFBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000175451623 510653280 /nfs/dbraw/zinc/65/32/80/510653280.db2.gz OUDDXPIJKFUFSJ-OAHLLOKOSA-N 1 2 370.331 2.884 20 5 FFBDLO O=C(NCCc1ccccc1[N+](=O)[O-])NCc1ccc(N2CCCC2)[nH+]c1 ZINC000266557631 510657688 /nfs/dbraw/zinc/65/76/88/510657688.db2.gz UUYFSIFZXJEYGJ-UHFFFAOYSA-N 1 2 369.425 2.632 20 5 FFBDLO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1nc(C(C)(C)C)no1 ZINC000185153001 510715074 /nfs/dbraw/zinc/71/50/74/510715074.db2.gz IJIDQTPDMUSHCW-LLVKDONJSA-N 1 2 373.413 2.515 20 5 FFBDLO COc1cc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc([N+](=O)[O-])c1C ZINC000191665691 510778301 /nfs/dbraw/zinc/77/83/01/510778301.db2.gz DQWLZNXFMCPUIC-UHFFFAOYSA-N 1 2 370.409 2.837 20 5 FFBDLO C[C@H](c1cccc(O)c1)[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182165239 510790145 /nfs/dbraw/zinc/79/01/45/510790145.db2.gz YOYOWOWLWJRWRO-CYBMUJFWSA-N 1 2 364.423 2.767 20 5 FFBDLO C[C@H](c1cccc(O)c1)[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182165239 510790150 /nfs/dbraw/zinc/79/01/50/510790150.db2.gz YOYOWOWLWJRWRO-CYBMUJFWSA-N 1 2 364.423 2.767 20 5 FFBDLO CC1(C)CN(CC(F)(F)F)CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000182221357 510819763 /nfs/dbraw/zinc/81/97/63/510819763.db2.gz UUAVJMLNQIVUGF-UHFFFAOYSA-N 1 2 361.364 2.932 20 5 FFBDLO CC1(C)CN(CC(F)(F)F)CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000182221357 510819766 /nfs/dbraw/zinc/81/97/66/510819766.db2.gz UUAVJMLNQIVUGF-UHFFFAOYSA-N 1 2 361.364 2.932 20 5 FFBDLO C[C@H](C(=O)Nc1nc2c(s1)C[N@H+](C)CC2)c1ccc([N+](=O)[O-])cc1F ZINC000185418135 510840658 /nfs/dbraw/zinc/84/06/58/510840658.db2.gz MPVWVVSQYGZFBB-VIFPVBQESA-N 1 2 364.402 2.921 20 5 FFBDLO C[C@H](C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2)c1ccc([N+](=O)[O-])cc1F ZINC000185418135 510840662 /nfs/dbraw/zinc/84/06/62/510840662.db2.gz MPVWVVSQYGZFBB-VIFPVBQESA-N 1 2 364.402 2.921 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000361233904 511016963 /nfs/dbraw/zinc/01/69/63/511016963.db2.gz FDRRZHSTNVVSGN-STQMWFEESA-N 1 2 370.331 2.655 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000361233904 511016966 /nfs/dbraw/zinc/01/69/66/511016966.db2.gz FDRRZHSTNVVSGN-STQMWFEESA-N 1 2 370.331 2.655 20 5 FFBDLO Cn1c2c([nH+]c1[C@@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1N)CCCC2 ZINC000279297709 511036253 /nfs/dbraw/zinc/03/62/53/511036253.db2.gz ZKIUPEAZYFASLB-INIZCTEOSA-N 1 2 369.425 2.767 20 5 FFBDLO Cc1cc(C2CC[NH+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)[nH]n1 ZINC000271601259 511259191 /nfs/dbraw/zinc/25/91/91/511259191.db2.gz IGBCHQJCGAZEBM-CYBMUJFWSA-N 1 2 357.414 2.833 20 5 FFBDLO Cc1cc(C2CC[NH+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000271601259 511259198 /nfs/dbraw/zinc/25/91/98/511259198.db2.gz IGBCHQJCGAZEBM-CYBMUJFWSA-N 1 2 357.414 2.833 20 5 FFBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000295175842 511308705 /nfs/dbraw/zinc/30/87/05/511308705.db2.gz VAWMYMMTBLTJKL-CYBMUJFWSA-N 1 2 373.837 2.566 20 5 FFBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000295175842 511308708 /nfs/dbraw/zinc/30/87/08/511308708.db2.gz VAWMYMMTBLTJKL-CYBMUJFWSA-N 1 2 373.837 2.566 20 5 FFBDLO CO[C@]1(C)CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000280044520 511315851 /nfs/dbraw/zinc/31/58/51/511315851.db2.gz PNWLDELCHZHASR-GOSISDBHSA-N 1 2 358.398 2.812 20 5 FFBDLO CN(C)C(=O)O[C@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000295444964 511407840 /nfs/dbraw/zinc/40/78/40/511407840.db2.gz DTWNROIRFMJISQ-INIZCTEOSA-N 1 2 374.397 2.912 20 5 FFBDLO CN(C)C(=O)O[C@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000295444964 511407846 /nfs/dbraw/zinc/40/78/46/511407846.db2.gz DTWNROIRFMJISQ-INIZCTEOSA-N 1 2 374.397 2.912 20 5 FFBDLO CCc1nn(C)c(N2CCc3c([nH+]cn3-c3ccccc3)C2)c1[N+](=O)[O-] ZINC000272251982 511480070 /nfs/dbraw/zinc/48/00/70/511480070.db2.gz SWAMIEYPRXNYCI-UHFFFAOYSA-N 1 2 352.398 2.639 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000365491360 511484624 /nfs/dbraw/zinc/48/46/24/511484624.db2.gz BPGKXCSJDKKJKL-MRXNPFEDSA-N 1 2 371.393 2.747 20 5 FFBDLO O=[N+]([O-])c1cc(-c2nc([C@@H]3C[N@@H+](C4CC4)CCO3)no2)ccc1NC1CC1 ZINC000273773756 511604616 /nfs/dbraw/zinc/60/46/16/511604616.db2.gz DZKLHUITBBRHLE-INIZCTEOSA-N 1 2 371.397 2.755 20 5 FFBDLO O=[N+]([O-])c1cc(-c2nc([C@@H]3C[N@H+](C4CC4)CCO3)no2)ccc1NC1CC1 ZINC000273773756 511604622 /nfs/dbraw/zinc/60/46/22/511604622.db2.gz DZKLHUITBBRHLE-INIZCTEOSA-N 1 2 371.397 2.755 20 5 FFBDLO CCOc1cccc(NCc2ccc(N3CCOCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000273868590 511637313 /nfs/dbraw/zinc/63/73/13/511637313.db2.gz NUDTUIAMOQMDHJ-UHFFFAOYSA-N 1 2 358.398 2.837 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000281317203 511802116 /nfs/dbraw/zinc/80/21/16/511802116.db2.gz SLMZSJNXNXPQCP-UHFFFAOYSA-N 1 2 358.398 2.732 20 5 FFBDLO CC(C)[C@]1(CO)CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000293036042 511815728 /nfs/dbraw/zinc/81/57/28/511815728.db2.gz LQEIBQYDTJWNDC-QGZVFWFLSA-N 1 2 369.849 2.917 20 5 FFBDLO CC(C)[C@]1(CO)CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000293036042 511815732 /nfs/dbraw/zinc/81/57/32/511815732.db2.gz LQEIBQYDTJWNDC-QGZVFWFLSA-N 1 2 369.849 2.917 20 5 FFBDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccco2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000296862090 511927167 /nfs/dbraw/zinc/92/71/67/511927167.db2.gz PCCQFJHHGOZCBB-AWEZNQCLSA-N 1 2 358.398 2.776 20 5 FFBDLO C[C@H]1COCC[C@@H]1c1noc(-c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC000351125073 511960919 /nfs/dbraw/zinc/96/09/19/511960919.db2.gz QMOWSBZDOVCOCD-AAEUAGOBSA-N 1 2 355.354 2.971 20 5 FFBDLO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000366531920 512075030 /nfs/dbraw/zinc/07/50/30/512075030.db2.gz BJNLLFVSPKKZEX-BVBGJJFLSA-N 1 2 352.456 2.897 20 5 FFBDLO CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000366531920 512075033 /nfs/dbraw/zinc/07/50/33/512075033.db2.gz BJNLLFVSPKKZEX-BVBGJJFLSA-N 1 2 352.456 2.897 20 5 FFBDLO Cc1c(NC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)cccc1[N+](=O)[O-] ZINC000275300192 512099095 /nfs/dbraw/zinc/09/90/95/512099095.db2.gz NDBYSNSUNAQZJL-WBMJQRKESA-N 1 2 359.386 2.679 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000375786367 512504756 /nfs/dbraw/zinc/50/47/56/512504756.db2.gz CGAXRTSYAKUCQH-MRXNPFEDSA-N 1 2 359.382 2.898 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000375786367 512504760 /nfs/dbraw/zinc/50/47/60/512504760.db2.gz CGAXRTSYAKUCQH-MRXNPFEDSA-N 1 2 359.382 2.898 20 5 FFBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)CCOc1cc(C)ccc1[N+](=O)[O-])CCC2 ZINC000374013499 512622120 /nfs/dbraw/zinc/62/21/20/512622120.db2.gz ZMFQNCRFFHLEBI-OAHLLOKOSA-N 1 2 372.425 2.871 20 5 FFBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000374378377 512801692 /nfs/dbraw/zinc/80/16/92/512801692.db2.gz RIPJNFHVQRSJHL-CXAGYDPISA-N 1 2 372.450 2.644 20 5 FFBDLO C[C@@H](C(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccc([N+](=O)[O-])cc1F ZINC000370328146 512879658 /nfs/dbraw/zinc/87/96/58/512879658.db2.gz WEHNGHHZEKDEND-GFCCVEGCSA-N 1 2 360.389 2.729 20 5 FFBDLO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000411996278 512906889 /nfs/dbraw/zinc/90/68/89/512906889.db2.gz GEQJXDHFJOITQK-GRYCIOLGSA-N 1 2 358.402 2.580 20 5 FFBDLO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000411996278 512906894 /nfs/dbraw/zinc/90/68/94/512906894.db2.gz GEQJXDHFJOITQK-GRYCIOLGSA-N 1 2 358.402 2.580 20 5 FFBDLO COc1cc(C[N@@H+]2CCCC[C@@H]2CN2CCCC2=O)c([N+](=O)[O-])cc1F ZINC000372520196 512914599 /nfs/dbraw/zinc/91/45/99/512914599.db2.gz DUCCTNQOXBKMIH-CQSZACIVSA-N 1 2 365.405 2.719 20 5 FFBDLO COc1cc(C[N@H+]2CCCC[C@@H]2CN2CCCC2=O)c([N+](=O)[O-])cc1F ZINC000372520196 512914604 /nfs/dbraw/zinc/91/46/04/512914604.db2.gz DUCCTNQOXBKMIH-CQSZACIVSA-N 1 2 365.405 2.719 20 5 FFBDLO Nc1ccc(C(=O)N2CC[NH2+][C@H](c3ccccc3Cl)C2)cc1[N+](=O)[O-] ZINC000374874684 513049924 /nfs/dbraw/zinc/04/99/24/513049924.db2.gz KGUOHHSCOPQZGQ-HNNXBMFYSA-N 1 2 360.801 2.617 20 5 FFBDLO CC[C@@H]1C[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C[C@H](CC)O1 ZINC000421385867 513244674 /nfs/dbraw/zinc/24/46/74/513244674.db2.gz GUNMKAYYHCGRGR-GASCZTMLSA-N 1 2 366.414 2.536 20 5 FFBDLO CC[C@@H]1C[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C[C@H](CC)O1 ZINC000421385867 513244680 /nfs/dbraw/zinc/24/46/80/513244680.db2.gz GUNMKAYYHCGRGR-GASCZTMLSA-N 1 2 366.414 2.536 20 5 FFBDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000440639230 513368753 /nfs/dbraw/zinc/36/87/53/513368753.db2.gz NUYBLIDJFNHLJV-QGZVFWFLSA-N 1 2 353.394 2.634 20 5 FFBDLO C[C@H]1C[N@H+](CCSc2nc3cc4ccccc4cc3c(=O)n2C)CCO1 ZINC000412994300 513384142 /nfs/dbraw/zinc/38/41/42/513384142.db2.gz ZSBJNUBVWUODIK-AWEZNQCLSA-N 1 2 369.490 2.900 20 5 FFBDLO C[C@H]1C[N@@H+](CCSc2nc3cc4ccccc4cc3c(=O)n2C)CCO1 ZINC000412994300 513384149 /nfs/dbraw/zinc/38/41/49/513384149.db2.gz ZSBJNUBVWUODIK-AWEZNQCLSA-N 1 2 369.490 2.900 20 5 FFBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000429484091 513388269 /nfs/dbraw/zinc/38/82/69/513388269.db2.gz ANGDTTCQWGWXHH-UHFFFAOYSA-N 1 2 360.439 2.878 20 5 FFBDLO C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000425438504 513567577 /nfs/dbraw/zinc/56/75/77/513567577.db2.gz AQRKCDKBWWMDLO-JTQLQIEISA-N 1 2 357.126 2.712 20 5 FFBDLO C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000425438504 513567580 /nfs/dbraw/zinc/56/75/80/513567580.db2.gz AQRKCDKBWWMDLO-JTQLQIEISA-N 1 2 357.126 2.712 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@H]1Cc2ccccc2O1 ZINC000447818677 513581937 /nfs/dbraw/zinc/58/19/37/513581937.db2.gz UPPROXOMTPVGAY-QGZVFWFLSA-N 1 2 369.421 2.843 20 5 FFBDLO CCOc1cccc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3OC)CC2)n1 ZINC000430224603 513591484 /nfs/dbraw/zinc/59/14/84/513591484.db2.gz YZKZIHSCFOGBNO-UHFFFAOYSA-N 1 2 372.425 2.719 20 5 FFBDLO COc1cccc2c(N3CCN(c4ncccc4[N+](=O)[O-])CC3)cc[nH+]c12 ZINC000413323097 513593098 /nfs/dbraw/zinc/59/30/98/513593098.db2.gz CNKMENVTYDTVDC-UHFFFAOYSA-N 1 2 365.393 2.873 20 5 FFBDLO C[C@@H](O)[C@H]1CCN(c2cc(N[C@@H](C)c3ccc([N+](=O)[O-])cc3)[nH+]cn2)C1 ZINC000413339530 513602349 /nfs/dbraw/zinc/60/23/49/513602349.db2.gz YRJHTNRRGZUHAI-GUTXKFCHSA-N 1 2 357.414 2.765 20 5 FFBDLO C[C@@H](O)[C@H]1CCN(c2cc(N[C@@H](C)c3ccc([N+](=O)[O-])cc3)nc[nH+]2)C1 ZINC000413339530 513602352 /nfs/dbraw/zinc/60/23/52/513602352.db2.gz YRJHTNRRGZUHAI-GUTXKFCHSA-N 1 2 357.414 2.765 20 5 FFBDLO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425561743 513641151 /nfs/dbraw/zinc/64/11/51/513641151.db2.gz BEDXLROKFQCSQH-UHFFFAOYSA-N 1 2 366.381 2.780 20 5 FFBDLO CO[C@]1(C)CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000451363493 513702827 /nfs/dbraw/zinc/70/28/27/513702827.db2.gz SSDSHAZLUAJJHP-GOSISDBHSA-N 1 2 358.398 2.812 20 5 FFBDLO CCO[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000451544666 513823207 /nfs/dbraw/zinc/82/32/07/513823207.db2.gz QDVHSYOSKWQITH-ABAIWWIYSA-N 1 2 355.822 2.934 20 5 FFBDLO CCO[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000451544666 513823211 /nfs/dbraw/zinc/82/32/11/513823211.db2.gz QDVHSYOSKWQITH-ABAIWWIYSA-N 1 2 355.822 2.934 20 5 FFBDLO NC(=O)CC[N@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]1CCOc2ccccc21 ZINC000451726801 513941312 /nfs/dbraw/zinc/94/13/12/513941312.db2.gz PNIPZJOICUSXOB-CQSZACIVSA-N 1 2 361.423 2.858 20 5 FFBDLO NC(=O)CC[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]1CCOc2ccccc21 ZINC000451726801 513941317 /nfs/dbraw/zinc/94/13/17/513941317.db2.gz PNIPZJOICUSXOB-CQSZACIVSA-N 1 2 361.423 2.858 20 5 FFBDLO O=C(N[C@@H](C1CC1)C(F)(F)F)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451787642 513980527 /nfs/dbraw/zinc/98/05/27/513980527.db2.gz NAFMUEAHUMDZHD-ZDUSSCGKSA-N 1 2 354.288 2.851 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000436920058 514034589 /nfs/dbraw/zinc/03/45/89/514034589.db2.gz PZOBLQZUERRAGL-UHFFFAOYSA-N 1 2 358.398 2.830 20 5 FFBDLO Cc1[nH+]c[nH]c1CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444112702 514126922 /nfs/dbraw/zinc/12/69/22/514126922.db2.gz YBGQMPCWIUEQRI-UHFFFAOYSA-N 1 2 350.353 2.782 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCCN(c4nccs4)CC3)nc2c1 ZINC000444599545 514269274 /nfs/dbraw/zinc/26/92/74/514269274.db2.gz UKWCVEAQUYNKBI-UHFFFAOYSA-N 1 2 358.427 2.640 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCCN(c4nccs4)CC3)nc2c1 ZINC000444599545 514269280 /nfs/dbraw/zinc/26/92/80/514269280.db2.gz UKWCVEAQUYNKBI-UHFFFAOYSA-N 1 2 358.427 2.640 20 5 FFBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccc([S@](C)=O)cc1 ZINC000444646542 514283023 /nfs/dbraw/zinc/28/30/23/514283023.db2.gz ZSFADBPKQRPJGL-VWLOTQADSA-N 1 2 358.423 2.841 20 5 FFBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccc([S@](C)=O)cc1 ZINC000444646542 514283029 /nfs/dbraw/zinc/28/30/29/514283029.db2.gz ZSFADBPKQRPJGL-VWLOTQADSA-N 1 2 358.423 2.841 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+](C)Cc2cc(F)cc(F)c2)c([N+](=O)[O-])c1 ZINC000444693670 514296094 /nfs/dbraw/zinc/29/60/94/514296094.db2.gz HZANNCUOLDEESK-UHFFFAOYSA-N 1 2 365.336 2.952 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+](C)Cc2cc(F)cc(F)c2)c([N+](=O)[O-])c1 ZINC000444693670 514296099 /nfs/dbraw/zinc/29/60/99/514296099.db2.gz HZANNCUOLDEESK-UHFFFAOYSA-N 1 2 365.336 2.952 20 5 FFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000449674413 514297539 /nfs/dbraw/zinc/29/75/39/514297539.db2.gz UQCRVJBVUOWAJF-PELKAZGASA-N 1 2 370.274 2.941 20 5 FFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000449674413 514297544 /nfs/dbraw/zinc/29/75/44/514297544.db2.gz UQCRVJBVUOWAJF-PELKAZGASA-N 1 2 370.274 2.941 20 5 FFBDLO C[C@@H]1C[N@@H+](CCN(C)c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000432924362 514324419 /nfs/dbraw/zinc/32/44/19/514324419.db2.gz XZDDDSNHZQLQTD-PHIMTYICSA-N 1 2 362.352 2.554 20 5 FFBDLO C[C@@H]1C[N@H+](CCN(C)c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000432924362 514324429 /nfs/dbraw/zinc/32/44/29/514324429.db2.gz XZDDDSNHZQLQTD-PHIMTYICSA-N 1 2 362.352 2.554 20 5 FFBDLO O=[N+]([O-])c1ccc(CN(CC[NH+]2CCOCC2)Cc2ccco2)c(F)c1 ZINC000449763582 514345150 /nfs/dbraw/zinc/34/51/50/514345150.db2.gz STRMYDOZLTZTKD-UHFFFAOYSA-N 1 2 363.389 2.661 20 5 FFBDLO CCn1ccnc1[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000439008597 514482703 /nfs/dbraw/zinc/48/27/03/514482703.db2.gz WYWSZZPXGPGGTH-WMZOPIPTSA-N 1 2 374.441 2.778 20 5 FFBDLO CCn1ccnc1[C@@H]1CCCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000439008597 514482706 /nfs/dbraw/zinc/48/27/06/514482706.db2.gz WYWSZZPXGPGGTH-WMZOPIPTSA-N 1 2 374.441 2.778 20 5 FFBDLO O=[N+]([O-])c1cnccc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000507945451 514619080 /nfs/dbraw/zinc/61/90/80/514619080.db2.gz RDZMXOXZLXMKRB-UHFFFAOYSA-N 1 2 362.817 2.844 20 5 FFBDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000470960005 514694584 /nfs/dbraw/zinc/69/45/84/514694584.db2.gz NXQRJBPUKFQCCU-ZWNOBZJWSA-N 1 2 357.332 2.757 20 5 FFBDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000470960005 514694589 /nfs/dbraw/zinc/69/45/89/514694589.db2.gz NXQRJBPUKFQCCU-ZWNOBZJWSA-N 1 2 357.332 2.757 20 5 FFBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000453578031 514697146 /nfs/dbraw/zinc/69/71/46/514697146.db2.gz OXIYJHRKOBFHAW-UHFFFAOYSA-N 1 2 364.409 2.702 20 5 FFBDLO COC(=O)COc1ccc(C[N@@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000475577496 514719920 /nfs/dbraw/zinc/71/99/20/514719920.db2.gz YTNZYDQBBJNXKG-UHFFFAOYSA-N 1 2 362.407 2.766 20 5 FFBDLO COC(=O)COc1ccc(C[N@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000475577496 514719929 /nfs/dbraw/zinc/71/99/29/514719929.db2.gz YTNZYDQBBJNXKG-UHFFFAOYSA-N 1 2 362.407 2.766 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000502812444 514788402 /nfs/dbraw/zinc/78/84/02/514788402.db2.gz ZXQRJSXIOOPCJK-MRXNPFEDSA-N 1 2 370.471 2.781 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000502812444 514788409 /nfs/dbraw/zinc/78/84/09/514788409.db2.gz ZXQRJSXIOOPCJK-MRXNPFEDSA-N 1 2 370.471 2.781 20 5 FFBDLO Cc1[nH]c2ccc(Cn3cc(Br)c(=O)c([N+](=O)[O-])c3)cc2[nH+]1 ZINC000467207600 514938672 /nfs/dbraw/zinc/93/86/72/514938672.db2.gz OXMRXJHSMQDHTC-UHFFFAOYSA-N 1 2 363.171 2.752 20 5 FFBDLO Cc1[nH]c2cc(Cn3cc(Br)c(=O)c([N+](=O)[O-])c3)ccc2[nH+]1 ZINC000467207600 514938681 /nfs/dbraw/zinc/93/86/81/514938681.db2.gz OXMRXJHSMQDHTC-UHFFFAOYSA-N 1 2 363.171 2.752 20 5 FFBDLO CCOc1cc(C[NH2+][C@@](C)(CC(=O)OC)c2ccccn2)ccc1[N+](=O)[O-] ZINC000509121900 515033427 /nfs/dbraw/zinc/03/34/27/515033427.db2.gz HUCLEHNRRMRJKG-IBGZPJMESA-N 1 2 373.409 2.957 20 5 FFBDLO CCN1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000480691406 515044921 /nfs/dbraw/zinc/04/49/21/515044921.db2.gz COQDIRFBXBEONA-ZDUSSCGKSA-N 1 2 367.356 2.803 20 5 FFBDLO CCN1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@H]1c1[nH]cc[nH+]1 ZINC000480713127 515057370 /nfs/dbraw/zinc/05/73/70/515057370.db2.gz VFVDHECZDTUPIK-INIZCTEOSA-N 1 2 352.398 2.749 20 5 FFBDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)C2 ZINC000476472833 515063952 /nfs/dbraw/zinc/06/39/52/515063952.db2.gz SJDALBAQDGJCRZ-AWEZNQCLSA-N 1 2 356.426 2.905 20 5 FFBDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)CC2 ZINC000476472833 515063960 /nfs/dbraw/zinc/06/39/60/515063960.db2.gz SJDALBAQDGJCRZ-AWEZNQCLSA-N 1 2 356.426 2.905 20 5 FFBDLO O=C(NC1(CCO)CCCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000499035620 515174475 /nfs/dbraw/zinc/17/44/75/515174475.db2.gz GUWAOECSMPNHBH-UHFFFAOYSA-N 1 2 358.398 2.596 20 5 FFBDLO CNc1c(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)cccc1[N+](=O)[O-] ZINC000462903672 515291581 /nfs/dbraw/zinc/29/15/81/515291581.db2.gz QACVYYHVVRGMHW-UHFFFAOYSA-N 1 2 368.437 2.903 20 5 FFBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@@H](O)COCc1ccccc1 ZINC000509694147 515293031 /nfs/dbraw/zinc/29/30/31/515293031.db2.gz CZUXUKYKKHZHPY-OAHLLOKOSA-N 1 2 366.364 2.883 20 5 FFBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@@H](O)COCc1ccccc1 ZINC000509694147 515293042 /nfs/dbraw/zinc/29/30/42/515293042.db2.gz CZUXUKYKKHZHPY-OAHLLOKOSA-N 1 2 366.364 2.883 20 5 FFBDLO CNc1c(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)cccc1[N+](=O)[O-] ZINC000462992204 515325926 /nfs/dbraw/zinc/32/59/26/515325926.db2.gz QTDYZKUQAXCIOY-UHFFFAOYSA-N 1 2 351.366 2.752 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000481967822 515531885 /nfs/dbraw/zinc/53/18/85/515531885.db2.gz YLDYSTHBAZKEOO-UHFFFAOYSA-N 1 2 373.394 2.593 20 5 FFBDLO Cc1ccc([C@@H](C)NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)cc1[N+](=O)[O-] ZINC000500100690 515590846 /nfs/dbraw/zinc/59/08/46/515590846.db2.gz TZBSVYASJBHXOJ-KDOFPFPSSA-N 1 2 361.442 2.581 20 5 FFBDLO Cc1ccc([C@@H](C)NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)cc1[N+](=O)[O-] ZINC000500100690 515590853 /nfs/dbraw/zinc/59/08/53/515590853.db2.gz TZBSVYASJBHXOJ-KDOFPFPSSA-N 1 2 361.442 2.581 20 5 FFBDLO C[C@@H](NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000469222601 515728028 /nfs/dbraw/zinc/72/80/28/515728028.db2.gz FNDOKBXDGOBFBV-DYVFJYSZSA-N 1 2 356.382 2.914 20 5 FFBDLO Cc1c(Br)c(N2CC[N@H+](C)[C@H](C(C)C)C2)ncc1[N+](=O)[O-] ZINC000487088672 515752600 /nfs/dbraw/zinc/75/26/00/515752600.db2.gz UVLUHKHJXJMUKK-LBPRGKRZSA-N 1 2 357.252 2.837 20 5 FFBDLO Cc1c(Br)c(N2CC[N@@H+](C)[C@H](C(C)C)C2)ncc1[N+](=O)[O-] ZINC000487088672 515752607 /nfs/dbraw/zinc/75/26/07/515752607.db2.gz UVLUHKHJXJMUKK-LBPRGKRZSA-N 1 2 357.252 2.837 20 5 FFBDLO Cc1cc[nH+]cc1N1CCN(C(=O)CSc2ccccc2[N+](=O)[O-])CC1 ZINC000500650767 515802987 /nfs/dbraw/zinc/80/29/87/515802987.db2.gz GTWYIKDQNTZPKL-UHFFFAOYSA-N 1 2 372.450 2.739 20 5 FFBDLO CCc1noc(C)c1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000500971005 515920423 /nfs/dbraw/zinc/92/04/23/515920423.db2.gz LPCAKOUTFWVKEU-UHFFFAOYSA-N 1 2 355.354 2.569 20 5 FFBDLO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000487685249 515943583 /nfs/dbraw/zinc/94/35/83/515943583.db2.gz OJTDNUQMALEUNL-UHFFFAOYSA-N 1 2 366.333 2.583 20 5 FFBDLO O=C(Nc1nc(C(F)(F)F)c[nH]1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000506918693 516022589 /nfs/dbraw/zinc/02/25/89/516022589.db2.gz TXHCLHBXGHBJTM-UHFFFAOYSA-N 1 2 366.259 2.775 20 5 FFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(c2nc(C)ns2)CC1 ZINC000470169604 516158642 /nfs/dbraw/zinc/15/86/42/516158642.db2.gz GRHYTAZKDBLZGY-RAXLEYEMSA-N 1 2 359.455 2.980 20 5 FFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1Cc2ccccc2C[C@@H]1C(N)=O ZINC000470170754 516160489 /nfs/dbraw/zinc/16/04/89/516160489.db2.gz ZWKDMLKTIZZXAX-CECLQJIQSA-N 1 2 351.406 2.910 20 5 FFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1Cc2ccccc2C[C@@H]1C(N)=O ZINC000470170754 516160500 /nfs/dbraw/zinc/16/05/00/516160500.db2.gz ZWKDMLKTIZZXAX-CECLQJIQSA-N 1 2 351.406 2.910 20 5 FFBDLO C[C@@H]1CCCN(c2ccc(C(=O)NCCc3cn(C)c[nH+]3)cc2[N+](=O)[O-])C1 ZINC000457882077 516207585 /nfs/dbraw/zinc/20/75/85/516207585.db2.gz MGTSJKPCXMUTES-CQSZACIVSA-N 1 2 371.441 2.537 20 5 FFBDLO C[C@@H](O)C[C@@H]1CCCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000561185686 516436459 /nfs/dbraw/zinc/43/64/59/516436459.db2.gz QTDJXQAHQZXYPX-ZBFHGGJFSA-N 1 2 372.425 2.936 20 5 FFBDLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000523668907 516536812 /nfs/dbraw/zinc/53/68/12/516536812.db2.gz RSMFJQZHQJUJEP-UHFFFAOYSA-N 1 2 352.306 2.966 20 5 FFBDLO CCn1c(C)nc([N+](=O)[O-])c1Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000554675086 516580990 /nfs/dbraw/zinc/58/09/90/516580990.db2.gz GKNJRCBOBVBAQI-VXGBXAGGSA-N 1 2 360.418 2.872 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000540746820 516696052 /nfs/dbraw/zinc/69/60/52/516696052.db2.gz CEQCDSYBADMBEA-HNNXBMFYSA-N 1 2 359.430 2.605 20 5 FFBDLO CN(C)c1cccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000524450068 516723793 /nfs/dbraw/zinc/72/37/93/516723793.db2.gz OSSNHEMTMVOLQM-UHFFFAOYSA-N 1 2 365.393 2.777 20 5 FFBDLO Cn1c(CCNc2ncnc3cccc([N+](=O)[O-])c32)[nH+]c2ccc(F)cc21 ZINC000544394774 516739662 /nfs/dbraw/zinc/73/96/62/516739662.db2.gz SCZIRKNEOWJKDP-UHFFFAOYSA-N 1 2 366.356 2.640 20 5 FFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513989974 516822612 /nfs/dbraw/zinc/82/26/12/516822612.db2.gz QRGAUGVSAOYLRY-QGZVFWFLSA-N 1 2 359.813 2.964 20 5 FFBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)N1CCC(c2ccccc2)=N1 ZINC000558739255 516922351 /nfs/dbraw/zinc/92/23/51/516922351.db2.gz FXEODSDZVXFCPC-UHFFFAOYSA-N 1 2 366.421 2.706 20 5 FFBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)N1CCC(c2ccccc2)=N1 ZINC000558739255 516922359 /nfs/dbraw/zinc/92/23/59/516922359.db2.gz FXEODSDZVXFCPC-UHFFFAOYSA-N 1 2 366.421 2.706 20 5 FFBDLO CC1(C)C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@H]1[C@H]1CCCO1 ZINC000514973989 517149652 /nfs/dbraw/zinc/14/96/52/517149652.db2.gz AFSDZQZXWAIWRU-ZACQAIPSSA-N 1 2 359.426 2.590 20 5 FFBDLO CC1(C)C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@H]1[C@H]1CCCO1 ZINC000514973989 517149661 /nfs/dbraw/zinc/14/96/61/517149661.db2.gz AFSDZQZXWAIWRU-ZACQAIPSSA-N 1 2 359.426 2.590 20 5 FFBDLO C[C@H](C(=O)N1CC[NH+](Cc2ccco2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000541640745 517154148 /nfs/dbraw/zinc/15/41/48/517154148.db2.gz PYQPYAKUGVNTMY-ZDUSSCGKSA-N 1 2 361.373 2.775 20 5 FFBDLO COc1ccc(OCC[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000537373461 517159824 /nfs/dbraw/zinc/15/98/24/517159824.db2.gz DUVCUSHLQOFVFY-SFHVURJKSA-N 1 2 372.421 2.926 20 5 FFBDLO COc1ccc(OCC[N@H+]2CCO[C@@H](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000537373461 517159833 /nfs/dbraw/zinc/15/98/33/517159833.db2.gz DUVCUSHLQOFVFY-SFHVURJKSA-N 1 2 372.421 2.926 20 5 FFBDLO O=C(C[N@@H+]1CCC[C@@H]1c1ccccn1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000533347448 517418800 /nfs/dbraw/zinc/41/88/00/517418800.db2.gz GLMPDUUMTLVZPG-GOSISDBHSA-N 1 2 352.394 2.716 20 5 FFBDLO O=C(C[N@H+]1CCC[C@@H]1c1ccccn1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000533347448 517418811 /nfs/dbraw/zinc/41/88/11/517418811.db2.gz GLMPDUUMTLVZPG-GOSISDBHSA-N 1 2 352.394 2.716 20 5 FFBDLO Cc1cc(N[C@@H](CO)Cc2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000546592938 517744086 /nfs/dbraw/zinc/74/40/86/517744086.db2.gz BMHSGEQACPYOJD-QGZVFWFLSA-N 1 2 364.405 2.798 20 5 FFBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1c[nH]c3cccc([N+](=O)[O-])c13)CCC2 ZINC000534255637 517808255 /nfs/dbraw/zinc/80/82/55/517808255.db2.gz HMRJIHVOIGULIB-GFCCVEGCSA-N 1 2 353.382 2.888 20 5 FFBDLO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000550077732 517850837 /nfs/dbraw/zinc/85/08/37/517850837.db2.gz DAROEIXNQKFDOL-GFCCVEGCSA-N 1 2 364.423 2.945 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000557497976 518039136 /nfs/dbraw/zinc/03/91/36/518039136.db2.gz PLKLXXSLOXCDLV-KRWDZBQOSA-N 1 2 353.382 2.551 20 5 FFBDLO CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000543477311 518113499 /nfs/dbraw/zinc/11/34/99/518113499.db2.gz RSNZPEXPJVZYRX-QGZVFWFLSA-N 1 2 371.437 2.911 20 5 FFBDLO CC(C)c1ccccc1OC[C@H](O)C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000543477311 518113508 /nfs/dbraw/zinc/11/35/08/518113508.db2.gz RSNZPEXPJVZYRX-QGZVFWFLSA-N 1 2 371.437 2.911 20 5 FFBDLO O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000522750666 518158853 /nfs/dbraw/zinc/15/88/53/518158853.db2.gz SDMRBHWMOXTPGL-UHFFFAOYSA-N 1 2 351.366 2.622 20 5 FFBDLO O=C1[C@H]([N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCN1c1ccc(F)cc1 ZINC000563942330 518240312 /nfs/dbraw/zinc/24/03/12/518240312.db2.gz JTCSKJQNFHMQJH-GOSISDBHSA-N 1 2 355.369 2.898 20 5 FFBDLO O=C1[C@H]([N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCN1c1ccc(F)cc1 ZINC000563942330 518240319 /nfs/dbraw/zinc/24/03/19/518240319.db2.gz JTCSKJQNFHMQJH-GOSISDBHSA-N 1 2 355.369 2.898 20 5 FFBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[NH+](Cc2ccco2)CC1 ZINC000575891131 518331888 /nfs/dbraw/zinc/33/18/88/518331888.db2.gz MWSPYVYFIQFNDF-UHFFFAOYSA-N 1 2 359.382 2.605 20 5 FFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H](Nc3ncccn3)C2)c1 ZINC000567111536 518356659 /nfs/dbraw/zinc/35/66/59/518356659.db2.gz GOTKZVYYZPVDBN-GFCCVEGCSA-N 1 2 365.340 2.673 20 5 FFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@@H](Nc3ncccn3)C2)c1 ZINC000567111536 518356664 /nfs/dbraw/zinc/35/66/64/518356664.db2.gz GOTKZVYYZPVDBN-GFCCVEGCSA-N 1 2 365.340 2.673 20 5 FFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@H](Nc3ncccn3)C2)c1 ZINC000567111537 518356742 /nfs/dbraw/zinc/35/67/42/518356742.db2.gz GOTKZVYYZPVDBN-LBPRGKRZSA-N 1 2 365.340 2.673 20 5 FFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@H](Nc3ncccn3)C2)c1 ZINC000567111537 518356748 /nfs/dbraw/zinc/35/67/48/518356748.db2.gz GOTKZVYYZPVDBN-LBPRGKRZSA-N 1 2 365.340 2.673 20 5 FFBDLO CCNc1ccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1[N+](=O)[O-] ZINC000570125462 518451285 /nfs/dbraw/zinc/45/12/85/518451285.db2.gz LPVGYPIGNHLWKF-UHFFFAOYSA-N 1 2 366.381 2.919 20 5 FFBDLO Cn1c[nH+]cc1CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000564541560 518494444 /nfs/dbraw/zinc/49/44/44/518494444.db2.gz IIQLTVCSWRZSDM-UHFFFAOYSA-N 1 2 368.343 2.623 20 5 FFBDLO C[C@]1(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCCC[C@H]1O ZINC000574480994 519174241 /nfs/dbraw/zinc/17/42/41/519174241.db2.gz IQLXYCLLNRDYPW-RTBURBONSA-N 1 2 363.458 2.780 20 5 FFBDLO COc1cccc2c1C[N@@H+]([C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000590759759 519354692 /nfs/dbraw/zinc/35/46/92/519354692.db2.gz KLMHEZASUXVOJC-CYBMUJFWSA-N 1 2 355.394 2.989 20 5 FFBDLO COc1cccc2c1C[N@H+]([C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000590759759 519354699 /nfs/dbraw/zinc/35/46/99/519354699.db2.gz KLMHEZASUXVOJC-CYBMUJFWSA-N 1 2 355.394 2.989 20 5 FFBDLO COc1cccc2c1C[N@H+](CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000590759955 519354740 /nfs/dbraw/zinc/35/47/40/519354740.db2.gz XHKIIGQCFPLULQ-UHFFFAOYSA-N 1 2 367.405 2.551 20 5 FFBDLO COc1cccc2c1C[N@@H+](CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000590759955 519354743 /nfs/dbraw/zinc/35/47/43/519354743.db2.gz XHKIIGQCFPLULQ-UHFFFAOYSA-N 1 2 367.405 2.551 20 5 FFBDLO O=C(N1CCCCC1)N1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000591138450 519526844 /nfs/dbraw/zinc/52/68/44/519526844.db2.gz UVOBITGCQXIQIK-UHFFFAOYSA-N 1 2 369.425 2.871 20 5 FFBDLO O=C1[C@H]([N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000572411959 519600515 /nfs/dbraw/zinc/60/05/15/519600515.db2.gz MLBCRDWZXNJEHT-SQNIBIBYSA-N 1 2 371.437 2.734 20 5 FFBDLO O=C1[C@H]([N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000572411959 519600523 /nfs/dbraw/zinc/60/05/23/519600523.db2.gz MLBCRDWZXNJEHT-SQNIBIBYSA-N 1 2 371.437 2.734 20 5 FFBDLO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000597580646 520117370 /nfs/dbraw/zinc/11/73/70/520117370.db2.gz GDVWZCKNGBRSNM-JTQLQIEISA-N 1 2 368.315 2.758 20 5 FFBDLO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000597580646 520117381 /nfs/dbraw/zinc/11/73/81/520117381.db2.gz GDVWZCKNGBRSNM-JTQLQIEISA-N 1 2 368.315 2.758 20 5 FFBDLO COC(=O)[C@H](C[C@@H]1CCCOC1)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000600204314 520122158 /nfs/dbraw/zinc/12/21/58/520122158.db2.gz ABONJAILPMWVLB-ZOBUZTSGSA-N 1 2 364.442 2.864 20 5 FFBDLO C[C@@H](NC(=O)NCc1[nH+]ccn1CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000609049284 520182649 /nfs/dbraw/zinc/18/26/49/520182649.db2.gz GXEOGVVSMFRTJA-SNVBAGLBSA-N 1 2 371.319 2.914 20 5 FFBDLO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609130875 520199855 /nfs/dbraw/zinc/19/98/55/520199855.db2.gz AMMSHCGKKYTBFO-HNNXBMFYSA-N 1 2 355.398 2.843 20 5 FFBDLO COc1cccc(OC)c1C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000594968564 520234549 /nfs/dbraw/zinc/23/45/49/520234549.db2.gz SLFVLNALSJQSTD-UHFFFAOYSA-N 1 2 360.366 2.673 20 5 FFBDLO C[C@@](CO)([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccccc1 ZINC000609483804 520327069 /nfs/dbraw/zinc/32/70/69/520327069.db2.gz HKFPHDXEXASWLG-SFHVURJKSA-N 1 2 354.366 2.642 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000603834116 520370445 /nfs/dbraw/zinc/37/04/45/520370445.db2.gz IAMLNIGVLCCVTE-OAHLLOKOSA-N 1 2 369.425 2.820 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000603834116 520370446 /nfs/dbraw/zinc/37/04/46/520370446.db2.gz IAMLNIGVLCCVTE-OAHLLOKOSA-N 1 2 369.425 2.820 20 5 FFBDLO CCN(CC)c1ccc(CNc2ccc([N+](=O)[O-])cc2C(=O)NC)c[nH+]1 ZINC000603930392 520408808 /nfs/dbraw/zinc/40/88/08/520408808.db2.gz UNSSQVSAAHTERM-UHFFFAOYSA-N 1 2 357.414 2.808 20 5 FFBDLO COC(=O)[C@H](CC(C)(C)C)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000592525152 520439141 /nfs/dbraw/zinc/43/91/41/520439141.db2.gz IOXHXVGLYQMNNK-WFASDCNBSA-N 1 2 365.430 2.879 20 5 FFBDLO Cc1ccn2cc(CNC(=O)N(C)Cc3ccccc3[N+](=O)[O-])[nH+]c2c1 ZINC000604128076 520457871 /nfs/dbraw/zinc/45/78/71/520457871.db2.gz MKGIIOIVYIXJJJ-UHFFFAOYSA-N 1 2 353.382 2.893 20 5 FFBDLO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3onc(C)c3[N+](=O)[O-])ccc2NC1=O ZINC000595419068 520458429 /nfs/dbraw/zinc/45/84/29/520458429.db2.gz WYBBRTCREXGROL-TVQRCGJNSA-N 1 2 360.370 2.852 20 5 FFBDLO Cc1noc(C[NH2+][C@@H](CCO)c2ccccc2Br)c1[N+](=O)[O-] ZINC000595426081 520463092 /nfs/dbraw/zinc/46/30/92/520463092.db2.gz PDBKQIGKZOIIDF-LBPRGKRZSA-N 1 2 370.203 2.867 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000595434705 520468747 /nfs/dbraw/zinc/46/87/47/520468747.db2.gz WIKJIJKDPRELCT-CYBMUJFWSA-N 1 2 372.429 2.510 20 5 FFBDLO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000598195817 520486128 /nfs/dbraw/zinc/48/61/28/520486128.db2.gz TZVUBEBSPIMWHD-KRWDZBQOSA-N 1 2 369.421 2.689 20 5 FFBDLO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000598195817 520486136 /nfs/dbraw/zinc/48/61/36/520486136.db2.gz TZVUBEBSPIMWHD-KRWDZBQOSA-N 1 2 369.421 2.689 20 5 FFBDLO CCc1cc(NC[C@H]2CCCC[C@@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000610132499 520551886 /nfs/dbraw/zinc/55/18/86/520551886.db2.gz MFDPDCRPCYWPMD-PBHICJAKSA-N 1 2 356.426 2.999 20 5 FFBDLO Cc1cccc2[nH+]c(CCNC(=O)CCNc3ccccc3[N+](=O)[O-])cn21 ZINC000592745543 520554753 /nfs/dbraw/zinc/55/47/53/520554753.db2.gz IRZOYDUYNIZNBE-UHFFFAOYSA-N 1 2 367.409 2.712 20 5 FFBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600991813 520578286 /nfs/dbraw/zinc/57/82/86/520578286.db2.gz LPLSGICGSSJPOL-UHFFFAOYSA-N 1 2 368.437 2.908 20 5 FFBDLO C[C@H](CO)[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595673074 520636729 /nfs/dbraw/zinc/63/67/29/520636729.db2.gz JXDNRDPJEJZOLE-IAQYHMDHSA-N 1 2 355.822 2.670 20 5 FFBDLO C[C@H](CO)[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595673074 520636734 /nfs/dbraw/zinc/63/67/34/520636734.db2.gz JXDNRDPJEJZOLE-IAQYHMDHSA-N 1 2 355.822 2.670 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1c(Br)cnn1C ZINC000601143193 520658368 /nfs/dbraw/zinc/65/83/68/520658368.db2.gz BEAZDIIBPSSBPP-UHFFFAOYSA-N 1 2 369.219 2.779 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000610434939 520683042 /nfs/dbraw/zinc/68/30/42/520683042.db2.gz RFPRSKBZQLXWJP-UHFFFAOYSA-N 1 2 354.366 2.532 20 5 FFBDLO COc1ccc2c(c1)CC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000595760702 520705683 /nfs/dbraw/zinc/70/56/83/520705683.db2.gz WBRHJDMBZPMSPN-UHFFFAOYSA-N 1 2 355.394 2.625 20 5 FFBDLO COc1ccc2c(c1)CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000595760702 520705690 /nfs/dbraw/zinc/70/56/90/520705690.db2.gz WBRHJDMBZPMSPN-UHFFFAOYSA-N 1 2 355.394 2.625 20 5 FFBDLO CCn1cc(C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C(C)C)cn1 ZINC000593082592 520731132 /nfs/dbraw/zinc/73/11/32/520731132.db2.gz XCGWVHHQJHPKQP-UHFFFAOYSA-N 1 2 359.430 2.969 20 5 FFBDLO CCn1cc(C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C(C)C)cn1 ZINC000593082592 520731133 /nfs/dbraw/zinc/73/11/33/520731133.db2.gz XCGWVHHQJHPKQP-UHFFFAOYSA-N 1 2 359.430 2.969 20 5 FFBDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601367628 520759901 /nfs/dbraw/zinc/75/99/01/520759901.db2.gz VHGJTRUEBGEOKA-MRXNPFEDSA-N 1 2 366.421 2.807 20 5 FFBDLO CC(C)(C)OC(=O)C1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000595896057 520801460 /nfs/dbraw/zinc/80/14/60/520801460.db2.gz FNEXYEJOOXITAP-UHFFFAOYSA-N 1 2 350.415 2.618 20 5 FFBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCc3c(F)cc(Br)cc3C2)c1 ZINC000610729145 520817849 /nfs/dbraw/zinc/81/78/49/520817849.db2.gz RVQNKNLPZSQKRF-UHFFFAOYSA-N 1 2 369.194 2.751 20 5 FFBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCc3c(F)cc(Br)cc3C2)c1 ZINC000610729145 520817857 /nfs/dbraw/zinc/81/78/57/520817857.db2.gz RVQNKNLPZSQKRF-UHFFFAOYSA-N 1 2 369.194 2.751 20 5 FFBDLO O=[N+]([O-])c1cccc(Br)c1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000596055847 520882533 /nfs/dbraw/zinc/88/25/33/520882533.db2.gz YZCNHOWGTPQJDN-LBPRGKRZSA-N 1 2 370.247 2.658 20 5 FFBDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000601685400 520904799 /nfs/dbraw/zinc/90/47/99/520904799.db2.gz ZTNOQURPRSGGIA-AWEZNQCLSA-N 1 2 373.384 2.747 20 5 FFBDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000601685400 520904809 /nfs/dbraw/zinc/90/48/09/520904809.db2.gz ZTNOQURPRSGGIA-AWEZNQCLSA-N 1 2 373.384 2.747 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1c2ccccc2CN(C)C1=O ZINC000598941664 520932598 /nfs/dbraw/zinc/93/25/98/520932598.db2.gz ZLTGDMXZSCZWMY-KPZWWZAWSA-N 1 2 355.394 2.967 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601850064 520986506 /nfs/dbraw/zinc/98/65/06/520986506.db2.gz APMUYNYIDZELOW-UHFFFAOYSA-N 1 2 372.450 2.781 20 5 FFBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc[nH+]c1N1CCCC1 ZINC000596354990 521038146 /nfs/dbraw/zinc/03/81/46/521038146.db2.gz BZMRYISPLRXVJS-UHFFFAOYSA-N 1 2 355.398 2.562 20 5 FFBDLO COC(=O)COc1ccc(CNc2[nH+]cccc2SC)cc1[N+](=O)[O-] ZINC000593681227 521152125 /nfs/dbraw/zinc/15/21/25/521152125.db2.gz XGIWUFQBBMSNRS-UHFFFAOYSA-N 1 2 363.395 2.876 20 5 FFBDLO Cn1ncc2c1CC(C)(C)C[N@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)C2 ZINC000596598170 521156475 /nfs/dbraw/zinc/15/64/75/521156475.db2.gz CZDJYBGJTYYEHX-UHFFFAOYSA-N 1 2 372.425 2.779 20 5 FFBDLO Cn1ncc2c1CC(C)(C)C[N@@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)C2 ZINC000596598170 521156485 /nfs/dbraw/zinc/15/64/85/521156485.db2.gz CZDJYBGJTYYEHX-UHFFFAOYSA-N 1 2 372.425 2.779 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000596625933 521174008 /nfs/dbraw/zinc/17/40/08/521174008.db2.gz HDNKWYTWBWJAFA-UHFFFAOYSA-N 1 2 371.397 2.920 20 5 FFBDLO CN(CCO)c1ccc(N[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)[nH+]c1 ZINC000611475678 521176058 /nfs/dbraw/zinc/17/60/58/521176058.db2.gz ZBHQRWLMNZZYGD-KRWDZBQOSA-N 1 2 356.426 2.852 20 5 FFBDLO COc1ccc(OCC[N@@H+]2CCc3nc(C4CC4)ncc3C2)c([N+](=O)[O-])c1 ZINC000599619321 521337510 /nfs/dbraw/zinc/33/75/10/521337510.db2.gz GVMICNKVIKKFQT-UHFFFAOYSA-N 1 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Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000619024795 521359743 /nfs/dbraw/zinc/35/97/43/521359743.db2.gz JSMNSJMHRNTGFZ-UHFFFAOYSA-N 1 2 369.425 2.851 20 5 FFBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000602487111 521376098 /nfs/dbraw/zinc/37/60/98/521376098.db2.gz URUQZIKTAKZIRO-UHFFFAOYSA-N 1 2 360.332 2.995 20 5 FFBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CCOC2(CCOCC2)C1 ZINC000602487111 521376106 /nfs/dbraw/zinc/37/61/06/521376106.db2.gz URUQZIKTAKZIRO-UHFFFAOYSA-N 1 2 360.332 2.995 20 5 FFBDLO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602610518 521435945 /nfs/dbraw/zinc/43/59/45/521435945.db2.gz ALUPXJHENCKPDD-LWESTGQBSA-N 1 2 355.279 2.618 20 5 FFBDLO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602610518 521435949 /nfs/dbraw/zinc/43/59/49/521435949.db2.gz ALUPXJHENCKPDD-LWESTGQBSA-N 1 2 355.279 2.618 20 5 FFBDLO C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000602643407 521453330 /nfs/dbraw/zinc/45/33/30/521453330.db2.gz GAJPWYCTWOJHSC-XHDPSFHLSA-N 1 2 360.332 2.993 20 5 FFBDLO C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000602643407 521453331 /nfs/dbraw/zinc/45/33/31/521453331.db2.gz GAJPWYCTWOJHSC-XHDPSFHLSA-N 1 2 360.332 2.993 20 5 FFBDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CCO2 ZINC000602653189 521459624 /nfs/dbraw/zinc/45/96/24/521459624.db2.gz ZKBVYQHTGZNEBX-NHYWBVRUSA-N 1 2 360.332 2.993 20 5 FFBDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CCO2 ZINC000602653189 521459632 /nfs/dbraw/zinc/45/96/32/521459632.db2.gz ZKBVYQHTGZNEBX-NHYWBVRUSA-N 1 2 360.332 2.993 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCN([C@@H]4CCOC4)CC3)o2)c1 ZINC000597202545 521570676 /nfs/dbraw/zinc/57/06/76/521570676.db2.gz DWZIFSMYGNGXEL-QGZVFWFLSA-N 1 2 357.410 2.761 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000615994446 521596245 /nfs/dbraw/zinc/59/62/45/521596245.db2.gz FIKSCXXVOJMFSY-FRQCXROJSA-N 1 2 361.442 2.797 20 5 FFBDLO C[C@@H]1COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485394439 561318153 /nfs/dbraw/zinc/31/81/53/561318153.db2.gz VXKSHZOQDKCDMG-CYBMUJFWSA-N 1 2 360.389 2.929 20 5 FFBDLO C[C@@H]1COCC[N@H+]1CCNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485394439 561318154 /nfs/dbraw/zinc/31/81/54/561318154.db2.gz VXKSHZOQDKCDMG-CYBMUJFWSA-N 1 2 360.389 2.929 20 5 FFBDLO C[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000611104574 676017433 /nfs/dbraw/zinc/01/74/33/676017433.db2.gz OWSVGYJEIJBUED-YPMHNXCESA-N 1 2 366.784 2.617 20 5 FFBDLO C[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000611104574 676017435 /nfs/dbraw/zinc/01/74/35/676017435.db2.gz OWSVGYJEIJBUED-YPMHNXCESA-N 1 2 366.784 2.617 20 5 FFBDLO C[C@H]1SCC[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)[C@H]1C ZINC000154754641 728811088 /nfs/dbraw/zinc/81/10/88/728811088.db2.gz QOXIFKSGUAYVEA-QWHCGFSZSA-N 1 2 350.444 2.620 20 5 FFBDLO C[C@H]1SCC[N@@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)[C@H]1C ZINC000154754641 728811091 /nfs/dbraw/zinc/81/10/91/728811091.db2.gz QOXIFKSGUAYVEA-QWHCGFSZSA-N 1 2 350.444 2.620 20 5 FFBDLO CC(C)(C(=O)N[C@@H]1CCC[N@H+](CCF)C1)c1ccc([N+](=O)[O-])cc1F ZINC000898499870 735371185 /nfs/dbraw/zinc/37/11/85/735371185.db2.gz SGBXMQBFXKUPFA-GFCCVEGCSA-N 1 2 355.385 2.562 20 5 FFBDLO CC(C)(C(=O)N[C@@H]1CCC[N@@H+](CCF)C1)c1ccc([N+](=O)[O-])cc1F ZINC000898499870 735371188 /nfs/dbraw/zinc/37/11/88/735371188.db2.gz SGBXMQBFXKUPFA-GFCCVEGCSA-N 1 2 355.385 2.562 20 5 FFBDLO CSC[C@H]1CCC[N@@H+]1Cn1cc(C)n(-c2ccccc2[N+](=O)[O-])c1=O ZINC000130890536 728720910 /nfs/dbraw/zinc/72/09/10/728720910.db2.gz CIEUHGANUXRPRL-CQSZACIVSA-N 1 2 362.455 2.641 20 5 FFBDLO CSC[C@H]1CCC[N@H+]1Cn1cc(C)n(-c2ccccc2[N+](=O)[O-])c1=O ZINC000130890536 728720911 /nfs/dbraw/zinc/72/09/11/728720911.db2.gz CIEUHGANUXRPRL-CQSZACIVSA-N 1 2 362.455 2.641 20 5 FFBDLO O=C1[C@@H]([N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CCN1CC(F)(F)F ZINC000135229402 728736589 /nfs/dbraw/zinc/73/65/89/728736589.db2.gz DZBRGLWMNGNKFG-AWEZNQCLSA-N 1 2 357.332 2.722 20 5 FFBDLO O=C1[C@@H]([N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CCN1CC(F)(F)F ZINC000135229402 728736590 /nfs/dbraw/zinc/73/65/90/728736590.db2.gz DZBRGLWMNGNKFG-AWEZNQCLSA-N 1 2 357.332 2.722 20 5 FFBDLO COC(=O)[C@H]1CCC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000151641171 728746252 /nfs/dbraw/zinc/74/62/52/728746252.db2.gz IPCKUGYCKMZVIY-JTQLQIEISA-N 1 2 351.384 2.714 20 5 FFBDLO COC(=O)[C@H]1CCC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000151641171 728746253 /nfs/dbraw/zinc/74/62/53/728746253.db2.gz IPCKUGYCKMZVIY-JTQLQIEISA-N 1 2 351.384 2.714 20 5 FFBDLO Cc1nn(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000863301387 730765950 /nfs/dbraw/zinc/76/59/50/730765950.db2.gz DCMGXCBSOQJSMT-FZMZJTMJSA-N 1 2 352.435 2.665 20 5 FFBDLO Cc1nn(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000863301387 730765951 /nfs/dbraw/zinc/76/59/51/730765951.db2.gz DCMGXCBSOQJSMT-FZMZJTMJSA-N 1 2 352.435 2.665 20 5 FFBDLO C[C@@H]([NH2+]Cc1ccc2c(c1)CCS2(=O)=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872049619 731723885 /nfs/dbraw/zinc/72/38/85/731723885.db2.gz UHPARVMANWARKY-LLVKDONJSA-N 1 2 364.398 2.915 20 5 FFBDLO C[C@H]([NH2+]Cc1ccc2c(c1)CCS2(=O)=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872049620 731723933 /nfs/dbraw/zinc/72/39/33/731723933.db2.gz UHPARVMANWARKY-NSHDSACASA-N 1 2 364.398 2.915 20 5 FFBDLO CC(C)c1ccc(C[N@@H+]2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000877787195 732430994 /nfs/dbraw/zinc/43/09/94/732430994.db2.gz HXDHZGXEYPJELS-GJZGRUSLSA-N 1 2 352.456 2.585 20 5 FFBDLO CC(C)c1ccc(C[N@H+]2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000877787195 732431000 /nfs/dbraw/zinc/43/10/00/732431000.db2.gz HXDHZGXEYPJELS-GJZGRUSLSA-N 1 2 352.456 2.585 20 5 FFBDLO C[NH+](C)Cc1csc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)n1 ZINC000927769830 738781133 /nfs/dbraw/zinc/78/11/33/738781133.db2.gz ZPEUKCGDKSJBRA-UHFFFAOYSA-N 1 2 354.819 2.696 20 5 FFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Br)OCCCn1cc[nH+]c1 ZINC000784081605 738860600 /nfs/dbraw/zinc/86/06/00/738860600.db2.gz DBELFVCOFHJWNC-UHFFFAOYSA-N 1 2 368.187 2.730 20 5 FFBDLO CC[NH+](CC)Cc1csc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])n1 ZINC000771298814 737712867 /nfs/dbraw/zinc/71/28/67/737712867.db2.gz YGJFANSWILUJIA-UHFFFAOYSA-N 1 2 366.447 2.992 20 5 FFBDLO O=C1CCCN1[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000930127405 739062837 /nfs/dbraw/zinc/06/28/37/739062837.db2.gz RMEGKTMXHRYGBY-ZDUSSCGKSA-N 1 2 368.231 2.554 20 5 FFBDLO O=C1CCCN1[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000930127405 739062843 /nfs/dbraw/zinc/06/28/43/739062843.db2.gz RMEGKTMXHRYGBY-ZDUSSCGKSA-N 1 2 368.231 2.554 20 5 FFBDLO Cc1cc(N2CC[NH+](CCCCO)CC2)c(Br)cc1[N+](=O)[O-] ZINC000788845921 739288567 /nfs/dbraw/zinc/28/85/67/739288567.db2.gz IYOWIFVHCFEYTM-UHFFFAOYSA-N 1 2 372.263 2.560 20 5 FFBDLO CC(C)(C)OC[C@@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000932170684 739398017 /nfs/dbraw/zinc/39/80/17/739398017.db2.gz KCUATKCMOHOXJI-HNNXBMFYSA-N 1 2 370.471 2.648 20 5 FFBDLO CC(C)(C)OC[C@@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000932170684 739398022 /nfs/dbraw/zinc/39/80/22/739398022.db2.gz KCUATKCMOHOXJI-HNNXBMFYSA-N 1 2 370.471 2.648 20 5 FFBDLO Nc1cc(COC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc[nH+]1 ZINC000792013191 739625658 /nfs/dbraw/zinc/62/56/58/739625658.db2.gz YIWYNMMEKPUXSJ-UHFFFAOYSA-N 1 2 366.171 2.620 20 5 FFBDLO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000792188280 739648637 /nfs/dbraw/zinc/64/86/37/739648637.db2.gz VEDIFAIXHKMBNY-LLVKDONJSA-N 1 2 368.231 2.554 20 5 FFBDLO O=C1CCCN1[C@@H]1CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000792188280 739648640 /nfs/dbraw/zinc/64/86/40/739648640.db2.gz VEDIFAIXHKMBNY-LLVKDONJSA-N 1 2 368.231 2.554 20 5 FFBDLO O=C(N[C@H]1CCOC1)OC[C@@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000796529874 740150211 /nfs/dbraw/zinc/15/02/11/740150211.db2.gz JDAGEHUEPFFEJD-KBPBESRZSA-N 1 2 369.443 2.526 20 5 FFBDLO O=C(N[C@H]1CCOC1)OC[C@@H]1CCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000796529874 740150215 /nfs/dbraw/zinc/15/02/15/740150215.db2.gz JDAGEHUEPFFEJD-KBPBESRZSA-N 1 2 369.443 2.526 20 5 FFBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2cccc(Cl)c2F)CC1 ZINC001005379895 742253310 /nfs/dbraw/zinc/25/33/10/742253310.db2.gz ZAWQMLZPIYZCAD-UKRRQHHQSA-N 1 2 369.824 2.567 20 5 FFBDLO CCc1ccc(C[NH+]2CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC2)s1 ZINC000825969343 743350341 /nfs/dbraw/zinc/35/03/41/743350341.db2.gz LBPCOPTZELXMMJ-UHFFFAOYSA-N 1 2 353.488 2.790 20 5 FFBDLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000844364474 748013741 /nfs/dbraw/zinc/01/37/41/748013741.db2.gz RYUFZGLCFDGMOZ-DAXOMENPSA-N 1 2 350.415 2.823 20 5 FFBDLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000844364474 748013749 /nfs/dbraw/zinc/01/37/49/748013749.db2.gz RYUFZGLCFDGMOZ-DAXOMENPSA-N 1 2 350.415 2.823 20 5 FFBDLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@H]([C@H]2CCCO2)C1 ZINC000933180873 963676218 /nfs/dbraw/zinc/67/62/18/963676218.db2.gz NUTNBYFQSRWPFQ-OAUYIBNBSA-N 1 2 366.389 2.667 20 5 FFBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@H]([C@H]2CCCO2)C1 ZINC000933180873 963676221 /nfs/dbraw/zinc/67/62/21/963676221.db2.gz NUTNBYFQSRWPFQ-OAUYIBNBSA-N 1 2 366.389 2.667 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H](O)c3c(F)cccc3F)CC2)cc1 ZINC000051093584 963983668 /nfs/dbraw/zinc/98/36/68/963983668.db2.gz ZVGZKMZCSZCIBF-KRWDZBQOSA-N 1 2 363.364 2.729 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874891195 1013924376 /nfs/dbraw/zinc/92/43/76/1013924376.db2.gz JMGVYVVGNCKJQK-MRXNPFEDSA-N 1 2 359.357 2.529 20 5 FFBDLO C[C@H](Cc1cccc(F)c1)[N@H+](C)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000840166802 970535850 /nfs/dbraw/zinc/53/58/50/970535850.db2.gz NCSNXKPGGWFMAN-GFCCVEGCSA-N 1 2 371.368 2.850 20 5 FFBDLO C[C@H](Cc1cccc(F)c1)[N@@H+](C)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000840166802 970535861 /nfs/dbraw/zinc/53/58/61/970535861.db2.gz NCSNXKPGGWFMAN-GFCCVEGCSA-N 1 2 371.368 2.850 20 5 FFBDLO CCn1cnc2c1CC[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C2 ZINC000897336696 974330639 /nfs/dbraw/zinc/33/06/39/974330639.db2.gz LTCBUJNGVBAFCA-UHFFFAOYSA-N 1 2 366.425 2.770 20 5 FFBDLO CCn1cnc2c1CC[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C2 ZINC000897336696 974330646 /nfs/dbraw/zinc/33/06/46/974330646.db2.gz LTCBUJNGVBAFCA-UHFFFAOYSA-N 1 2 366.425 2.770 20 5 FFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000729852566 975420242 /nfs/dbraw/zinc/42/02/42/975420242.db2.gz RQXBTFVFUXPUOZ-SFHVURJKSA-N 1 2 369.377 2.924 20 5 FFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000729852566 975420246 /nfs/dbraw/zinc/42/02/46/975420246.db2.gz RQXBTFVFUXPUOZ-SFHVURJKSA-N 1 2 369.377 2.924 20 5 FFBDLO CC(C)(CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)n1cc[nH+]c1 ZINC000898894245 976760359 /nfs/dbraw/zinc/76/03/59/976760359.db2.gz WHIPEWCHQUHDDY-UHFFFAOYSA-N 1 2 371.441 2.559 20 5 FFBDLO C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000227691780 984861567 /nfs/dbraw/zinc/86/15/67/984861567.db2.gz QMAYURNHJLEHLL-ZACQAIPSSA-N 1 2 374.485 2.610 20 5 FFBDLO C[N@H+](CCOc1ccc(F)cc1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172892842 985704615 /nfs/dbraw/zinc/70/46/15/985704615.db2.gz CDNIRKUTEPKVAW-UHFFFAOYSA-N 1 2 371.372 2.961 20 5 FFBDLO C[N@@H+](CCOc1ccc(F)cc1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172892842 985704629 /nfs/dbraw/zinc/70/46/29/985704629.db2.gz CDNIRKUTEPKVAW-UHFFFAOYSA-N 1 2 371.372 2.961 20 5 FFBDLO Cc1ncc(CCNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)s1 ZINC001127379020 988753446 /nfs/dbraw/zinc/75/34/46/988753446.db2.gz UCIPHUFRANHLAD-UHFFFAOYSA-N 1 2 357.395 2.518 20 5 FFBDLO CC(C)N(C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCCC1 ZINC000916984148 990085791 /nfs/dbraw/zinc/08/57/91/990085791.db2.gz BCLQEWIMKOWGBP-UHFFFAOYSA-N 1 2 374.485 2.896 20 5 FFBDLO O=C1N(C[N@@H+]2CCc3ccccc3C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000154665847 990353842 /nfs/dbraw/zinc/35/38/42/990353842.db2.gz JTDRYMXSEITKRX-UHFFFAOYSA-N 1 2 352.394 2.853 20 5 FFBDLO O=C1N(C[N@H+]2CCc3ccccc3C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000154665847 990353851 /nfs/dbraw/zinc/35/38/51/990353851.db2.gz JTDRYMXSEITKRX-UHFFFAOYSA-N 1 2 352.394 2.853 20 5 FFBDLO O=C(CCOc1ccccc1[N+](=O)[O-])NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000069391624 991723047 /nfs/dbraw/zinc/72/30/47/991723047.db2.gz AVDBHDPRMFCABN-UHFFFAOYSA-N 1 2 366.377 2.866 20 5 FFBDLO COc1ccc(NC(=O)C[NH+]2CCC3(CCCCO3)CC2)c([N+](=O)[O-])c1 ZINC000880457606 1015840701 /nfs/dbraw/zinc/84/07/01/1015840701.db2.gz UCBSZXBOUOFFLF-UHFFFAOYSA-N 1 2 363.414 2.577 20 5 FFBDLO Cc1nn(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c2ncc([N+](=O)[O-])cc12 ZINC000811790005 995262541 /nfs/dbraw/zinc/26/25/41/995262541.db2.gz KAJVFNHAIVEXJM-HZPDHXFCSA-N 1 2 357.414 2.639 20 5 FFBDLO Cc1nn(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c2ncc([N+](=O)[O-])cc12 ZINC000811790005 995262552 /nfs/dbraw/zinc/26/25/52/995262552.db2.gz KAJVFNHAIVEXJM-HZPDHXFCSA-N 1 2 357.414 2.639 20 5 FFBDLO COc1cc(C)cnc1C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171412 995633382 /nfs/dbraw/zinc/63/33/82/995633382.db2.gz VDWGIURRKDTSEK-INIZCTEOSA-N 1 2 371.393 2.738 20 5 FFBDLO COc1cc(C)cnc1C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171412 995633386 /nfs/dbraw/zinc/63/33/86/995633386.db2.gz VDWGIURRKDTSEK-INIZCTEOSA-N 1 2 371.393 2.738 20 5 FFBDLO Cc1nn(C[NH+]2CCC(Cc3nc([C@@H]4C[C@@H]4C)no3)CC2)cc1[N+](=O)[O-] ZINC000844729676 998099050 /nfs/dbraw/zinc/09/90/50/998099050.db2.gz GPYVYGVRBMVBAE-SMDDNHRTSA-N 1 2 360.418 2.518 20 5 FFBDLO O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844750527 998115042 /nfs/dbraw/zinc/11/50/42/998115042.db2.gz OWQRKVAGFIJUGY-HZPDHXFCSA-N 1 2 367.352 2.611 20 5 FFBDLO O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844750527 998115052 /nfs/dbraw/zinc/11/50/52/998115052.db2.gz OWQRKVAGFIJUGY-HZPDHXFCSA-N 1 2 367.352 2.611 20 5 FFBDLO CN(CCC1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1)C(=O)OC(C)(C)C ZINC000769653318 1000569727 /nfs/dbraw/zinc/56/97/27/1000569727.db2.gz NTAYOLWBUMJWCB-UHFFFAOYSA-N 1 2 367.450 2.718 20 5 FFBDLO O=C(NCCCNc1cccc[nH+]1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001147837311 1000985649 /nfs/dbraw/zinc/98/56/49/1000985649.db2.gz DSNHTEWHHLLRCS-UHFFFAOYSA-N 1 2 366.381 2.612 20 5 FFBDLO CCOC(=O)c1cc(N2CCC([N@H+](C)CC(F)F)CC2)ccc1[N+](=O)[O-] ZINC000771162203 1001019016 /nfs/dbraw/zinc/01/90/16/1001019016.db2.gz IIGYCSQPWPJCJY-UHFFFAOYSA-N 1 2 371.384 2.937 20 5 FFBDLO CCOC(=O)c1cc(N2CCC([N@@H+](C)CC(F)F)CC2)ccc1[N+](=O)[O-] ZINC000771162203 1001019024 /nfs/dbraw/zinc/01/90/24/1001019024.db2.gz IIGYCSQPWPJCJY-UHFFFAOYSA-N 1 2 371.384 2.937 20 5 FFBDLO Nc1cc(COC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000787573519 1001699416 /nfs/dbraw/zinc/69/94/16/1001699416.db2.gz RBXVELGKPXIWJY-UHFFFAOYSA-N 1 2 356.382 2.532 20 5 FFBDLO COc1ccc(C[C@@H](C)[NH+]2CCN(C(=O)C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC001170354656 1003121375 /nfs/dbraw/zinc/12/13/75/1003121375.db2.gz NMXPUMGNHNPBEB-CQSZACIVSA-N 1 2 363.458 2.725 20 5 FFBDLO COc1ccc(C[C@@H](C)[NH+]2CCN(C(=O)CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC001170351662 1003137341 /nfs/dbraw/zinc/13/73/41/1003137341.db2.gz GXLZWXVSEKUNGQ-OAHLLOKOSA-N 1 2 363.458 2.725 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC001197146416 1004100496 /nfs/dbraw/zinc/10/04/96/1004100496.db2.gz RESYYGPRRDPCQX-KRWDZBQOSA-N 1 2 354.410 2.983 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC001197146416 1004100499 /nfs/dbraw/zinc/10/04/99/1004100499.db2.gz RESYYGPRRDPCQX-KRWDZBQOSA-N 1 2 354.410 2.983 20 5 FFBDLO CCOc1cc(C[NH+]2CCC(CN=S(C)(C)=O)CC2)ccc1[N+](=O)[O-] ZINC001197958653 1004431176 /nfs/dbraw/zinc/43/11/76/1004431176.db2.gz AWGVBGDCKHFEPR-UHFFFAOYSA-N 1 2 369.487 2.933 20 5 FFBDLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776585648 1005976582 /nfs/dbraw/zinc/97/65/82/1005976582.db2.gz YVBBFBZSIKDOPQ-OALUTQOASA-N 1 2 372.421 2.734 20 5 FFBDLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776585648 1005976585 /nfs/dbraw/zinc/97/65/85/1005976585.db2.gz YVBBFBZSIKDOPQ-OALUTQOASA-N 1 2 372.421 2.734 20 5 FFBDLO CN(C)C(=O)OC1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000815188859 1006534399 /nfs/dbraw/zinc/53/43/99/1006534399.db2.gz INFHTYRRQZMDFO-UHFFFAOYSA-N 1 2 374.397 2.912 20 5 FFBDLO CC(C)Oc1cnccc1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001134912619 1006552559 /nfs/dbraw/zinc/55/25/59/1006552559.db2.gz WTNMBYHJNNPTNX-UHFFFAOYSA-N 1 2 367.365 2.637 20 5 FFBDLO Cn1ncc2c1CC(C)(C)C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC000854058101 1006652965 /nfs/dbraw/zinc/65/29/65/1006652965.db2.gz XEHKUSXMPQRGBD-UHFFFAOYSA-N 1 2 359.386 2.821 20 5 FFBDLO Cn1ncc2c1CC(C)(C)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC000854058101 1006652971 /nfs/dbraw/zinc/65/29/71/1006652971.db2.gz XEHKUSXMPQRGBD-UHFFFAOYSA-N 1 2 359.386 2.821 20 5 FFBDLO CCC[C@H](C)NC(=O)[C@@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000855085869 1007103904 /nfs/dbraw/zinc/10/39/04/1007103904.db2.gz NVXQOQBTNZDDTR-QWHCGFSZSA-N 1 2 374.397 2.631 20 5 FFBDLO Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC001136351168 1008348045 /nfs/dbraw/zinc/34/80/45/1008348045.db2.gz HMGFBLBULAEZCC-UHFFFAOYSA-N 1 2 361.427 2.872 20 5 FFBDLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000821340202 1008447092 /nfs/dbraw/zinc/44/70/92/1008447092.db2.gz UITMRTWMWRUFLG-CQSZACIVSA-N 1 2 368.315 2.870 20 5 FFBDLO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2ccccc21)[C@@H](C)[NH+]1CCOCC1 ZINC000859228495 1008490482 /nfs/dbraw/zinc/49/04/82/1008490482.db2.gz SJDQMHYYZWLNMA-ZIAGYGMSSA-N 1 2 357.410 2.587 20 5 FFBDLO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000859533682 1008549194 /nfs/dbraw/zinc/54/91/94/1008549194.db2.gz QKYAYRAKVHTGQQ-UHFFFAOYSA-N 1 2 368.390 2.850 20 5 FFBDLO CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000859533682 1008549203 /nfs/dbraw/zinc/54/92/03/1008549203.db2.gz QKYAYRAKVHTGQQ-UHFFFAOYSA-N 1 2 368.390 2.850 20 5 FFBDLO CC(C)[C@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCCCC1 ZINC000859567250 1008565842 /nfs/dbraw/zinc/56/58/42/1008565842.db2.gz DNXZQXNMVZKTAE-QGZVFWFLSA-N 1 2 366.389 2.970 20 5 FFBDLO CN(CC(=O)Nc1cc2nc3ccccc3nc2cc1N)c1cccc[nH+]1 ZINC001177412140 1008602304 /nfs/dbraw/zinc/60/23/04/1008602304.db2.gz IXKOAVZZOIFNQO-UHFFFAOYSA-N 1 2 358.405 2.835 20 5 FFBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000129259292 1009283351 /nfs/dbraw/zinc/28/33/51/1009283351.db2.gz XGYMPTLNDANMHH-UHFFFAOYSA-N 1 2 370.409 2.570 20 5 FFBDLO C[C@@H]1C[N@@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C[C@H](C)C1(F)F ZINC000863274936 1010154505 /nfs/dbraw/zinc/15/45/05/1010154505.db2.gz VGLUQXQCNYSADT-BFQNTYOBSA-N 1 2 369.368 2.713 20 5 FFBDLO C[C@@H]1C[N@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C[C@H](C)C1(F)F ZINC000863274936 1010154513 /nfs/dbraw/zinc/15/45/13/1010154513.db2.gz VGLUQXQCNYSADT-BFQNTYOBSA-N 1 2 369.368 2.713 20 5 FFBDLO O=[N+]([O-])c1cc(F)ccc1CN1C[C@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001171931941 1011547666 /nfs/dbraw/zinc/54/76/66/1011547666.db2.gz SAYUECFJSVGBIX-VQTJNVASSA-N 1 2 371.412 2.819 20 5 FFBDLO O=[N+]([O-])c1cc(F)ccc1CN1C[C@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001171931941 1011547678 /nfs/dbraw/zinc/54/76/78/1011547678.db2.gz SAYUECFJSVGBIX-VQTJNVASSA-N 1 2 371.412 2.819 20 5 FFBDLO COc1cccc([C@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3C)CC[NH2+]2)c1 ZINC000870147966 1012204926 /nfs/dbraw/zinc/20/49/26/1012204926.db2.gz VRZNULBSWXMZLH-QGZVFWFLSA-N 1 2 355.394 2.699 20 5 FFBDLO CC[C@H](C)[C@H]([NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C(=O)OC ZINC001173180910 1012324470 /nfs/dbraw/zinc/32/44/70/1012324470.db2.gz ZHKWNLVLSDHCBU-MMPTUQATSA-N 1 2 356.394 2.851 20 5 FFBDLO COC(=O)[C@@H]([NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C1CCCC1 ZINC001173185355 1012329339 /nfs/dbraw/zinc/32/93/39/1012329339.db2.gz YQCGRNGCMCSVPI-DIFFPNOSSA-N 1 2 368.405 2.995 20 5 FFBDLO COc1ncccc1COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000801322725 1018843602 /nfs/dbraw/zinc/84/36/02/1018843602.db2.gz RIAQNCGPEFADPN-UHFFFAOYSA-N 1 2 354.322 2.541 20 5 FFBDLO COc1ccc([C@@H]2CCC[N@@H+]2Cn2nc(C)c3cc([N+](=O)[O-])cnc32)nc1 ZINC000902653752 1020378100 /nfs/dbraw/zinc/37/81/00/1020378100.db2.gz OQGAWJAPXQVAFK-KRWDZBQOSA-N 1 2 368.397 2.846 20 5 FFBDLO COc1ccc([C@@H]2CCC[N@H+]2Cn2nc(C)c3cc([N+](=O)[O-])cnc32)nc1 ZINC000902653752 1020378110 /nfs/dbraw/zinc/37/81/10/1020378110.db2.gz OQGAWJAPXQVAFK-KRWDZBQOSA-N 1 2 368.397 2.846 20 5 FFBDLO COc1cc([C@H](C)[NH2+][C@@H]2c3ccccc3CN(C)C2=O)cc([N+](=O)[O-])c1 ZINC000903205823 1020738349 /nfs/dbraw/zinc/73/83/49/1020738349.db2.gz FQMKUNUFUDAWSH-KPZWWZAWSA-N 1 2 355.394 2.967 20 5 FFBDLO COc1cc([C@@H](C)[NH2+][C@H]2c3ccccc3CN(C)C2=O)cc([N+](=O)[O-])c1 ZINC000903205826 1020738491 /nfs/dbraw/zinc/73/84/91/1020738491.db2.gz FQMKUNUFUDAWSH-XIKOKIGWSA-N 1 2 355.394 2.967 20 5 FFBDLO Cc1cc2nc3nc(=O)[nH]c(O[C@H]4CC[NH2+]CC[C@@H]4C)c3nc2cc1C ZINC001218023590 1032958251 /nfs/dbraw/zinc/95/82/51/1032958251.db2.gz JPDKJCMFCRCSDC-BONVTDFDSA-N 1 2 353.426 2.662 20 5 FFBDLO Cc1ccc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c(N(C)C)[nH+]1 ZINC000750005385 1021216680 /nfs/dbraw/zinc/21/66/80/1021216680.db2.gz DSULJCMUANCVKV-UHFFFAOYSA-N 1 2 353.382 2.958 20 5 FFBDLO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000016515636 1022248782 /nfs/dbraw/zinc/24/87/82/1022248782.db2.gz QMAYURNHJLEHLL-IXDOHACOSA-N 1 2 374.485 2.610 20 5 FFBDLO Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)OCc2cn(C)nc2[N+](=O)[O-])c1 ZINC001119350548 1022704528 /nfs/dbraw/zinc/70/45/28/1022704528.db2.gz CPGXGXWUDCHEKY-QGZVFWFLSA-N 1 2 372.425 2.735 20 5 FFBDLO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)OCc2cn(C)nc2[N+](=O)[O-])c1 ZINC001119350548 1022704540 /nfs/dbraw/zinc/70/45/40/1022704540.db2.gz CPGXGXWUDCHEKY-QGZVFWFLSA-N 1 2 372.425 2.735 20 5 FFBDLO Cc1cc2nc3nc(=O)[nH]c(O[C@H]4CC[NH2+]C5(CCC5)C4)c3nc2cc1C ZINC001218309445 1033099029 /nfs/dbraw/zinc/09/90/29/1033099029.db2.gz RBLYWLCRKIYJAY-ZDUSSCGKSA-N 1 2 365.437 2.949 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC001120687130 1023423378 /nfs/dbraw/zinc/42/33/78/1023423378.db2.gz JSKDBGXGJJFPHW-INIZCTEOSA-N 1 2 359.357 2.529 20 5 FFBDLO Cn1c[nH+]cc1COC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000754683558 1023503661 /nfs/dbraw/zinc/50/36/61/1023503661.db2.gz HUEQZZCGAXCRAZ-UHFFFAOYSA-N 1 2 372.303 2.893 20 5 FFBDLO Cc1nn(Cc2ccc(C(=O)OCc3c[nH+]cn3C)cc2)c(C)c1[N+](=O)[O-] ZINC000754686427 1023504667 /nfs/dbraw/zinc/50/46/67/1023504667.db2.gz ZURZTUXQLBPDNE-UHFFFAOYSA-N 1 2 369.381 2.547 20 5 FFBDLO CCCc1nnc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)s1 ZINC001124200167 1024309337 /nfs/dbraw/zinc/30/93/37/1024309337.db2.gz APTFVDQWYHGGGA-UHFFFAOYSA-N 1 2 358.383 2.837 20 5 FFBDLO COc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)cc1 ZINC001124409500 1024329358 /nfs/dbraw/zinc/32/93/58/1024329358.db2.gz UIWLFVJBQLQXLX-UHFFFAOYSA-N 1 2 366.377 2.762 20 5 FFBDLO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001141319045 1025878970 /nfs/dbraw/zinc/87/89/70/1025878970.db2.gz PMNLPURBTXWQMH-UWVGGRQHSA-N 1 2 362.188 2.770 20 5 FFBDLO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001141319045 1025878991 /nfs/dbraw/zinc/87/89/91/1025878991.db2.gz PMNLPURBTXWQMH-UWVGGRQHSA-N 1 2 362.188 2.770 20 5 FFBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CN1C(=O)[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000839966514 1026887321 /nfs/dbraw/zinc/88/73/21/1026887321.db2.gz DIYQGPRKFHWBMU-ICSRJNTNSA-N 1 2 373.453 2.933 20 5 FFBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)CN1C(=O)[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000839966514 1026887336 /nfs/dbraw/zinc/88/73/36/1026887336.db2.gz DIYQGPRKFHWBMU-ICSRJNTNSA-N 1 2 373.453 2.933 20 5 FFBDLO Cc1ccccc1CC[N@@H+](C)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000840101409 1026957628 /nfs/dbraw/zinc/95/76/28/1026957628.db2.gz OCXNJDBPBXXRCW-UHFFFAOYSA-N 1 2 353.378 2.631 20 5 FFBDLO Cc1ccccc1CC[N@H+](C)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000840101409 1026957637 /nfs/dbraw/zinc/95/76/37/1026957637.db2.gz OCXNJDBPBXXRCW-UHFFFAOYSA-N 1 2 353.378 2.631 20 5 FFBDLO CC[C@]1(C)CC(=O)N(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000840127009 1026969864 /nfs/dbraw/zinc/96/98/64/1026969864.db2.gz QOLLPIUJMDGNCT-DNVCBOLYSA-N 1 2 359.426 2.907 20 5 FFBDLO CC[C@]1(C)CC(=O)N(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000840127009 1026969871 /nfs/dbraw/zinc/96/98/71/1026969871.db2.gz QOLLPIUJMDGNCT-DNVCBOLYSA-N 1 2 359.426 2.907 20 5 FFBDLO Cc1cc(C)c(CNC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)c[nH+]1 ZINC001161804110 1028320299 /nfs/dbraw/zinc/32/02/99/1028320299.db2.gz RLXWLVAMRFFEHP-UHFFFAOYSA-N 1 2 366.377 2.850 20 5 FFBDLO Cc1nc(Cl)nc(N2CC[N@@H+]3CCc4ccccc4[C@H]3C2)c1[N+](=O)[O-] ZINC001155087138 1028572305 /nfs/dbraw/zinc/57/23/05/1028572305.db2.gz UMCKDXRXVVMRJZ-CQSZACIVSA-N 1 2 359.817 2.766 20 5 FFBDLO Cc1nc(Cl)nc(N2CC[N@H+]3CCc4ccccc4[C@H]3C2)c1[N+](=O)[O-] ZINC001155087138 1028572314 /nfs/dbraw/zinc/57/23/14/1028572314.db2.gz UMCKDXRXVVMRJZ-CQSZACIVSA-N 1 2 359.817 2.766 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1NCCc1cn(Cc2ccc(Cl)cc2)c[nH+]1 ZINC001164382378 1029269803 /nfs/dbraw/zinc/26/98/03/1029269803.db2.gz AJYJCAXALLVASX-UHFFFAOYSA-N 1 2 360.805 2.881 20 5 FFBDLO Cc1ccc([C@@H]2CC[N@H+](CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C2)cc1 ZINC000784027272 1030426917 /nfs/dbraw/zinc/42/69/17/1030426917.db2.gz WDYGOVXRTGODQD-OAHLLOKOSA-N 1 2 365.389 2.946 20 5 FFBDLO Cc1ccc([C@@H]2CC[N@@H+](CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C2)cc1 ZINC000784027272 1030426924 /nfs/dbraw/zinc/42/69/24/1030426924.db2.gz WDYGOVXRTGODQD-OAHLLOKOSA-N 1 2 365.389 2.946 20 5 FFBDLO COc1c(C)c[nH+]c(CNC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)c1C ZINC001142756934 1030790591 /nfs/dbraw/zinc/79/05/91/1030790591.db2.gz BSUVMPDSLYYDAX-UHFFFAOYSA-N 1 2 364.789 2.781 20 5 FFBDLO COC(=O)c1c(COC2C[NH+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC001223292914 1033373415 /nfs/dbraw/zinc/37/34/15/1033373415.db2.gz DAGMJFFQDIUTIL-UHFFFAOYSA-N 1 2 356.378 2.782 20 5 FFBDLO O=[N+]([O-])c1ccnc(Cl)c1OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001225431845 1034251050 /nfs/dbraw/zinc/25/10/50/1034251050.db2.gz VYMPLPXKYGZCLU-AWEZNQCLSA-N 1 2 363.801 2.923 20 5 FFBDLO O=[N+]([O-])c1ccnc(Cl)c1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001225431845 1034251051 /nfs/dbraw/zinc/25/10/51/1034251051.db2.gz VYMPLPXKYGZCLU-AWEZNQCLSA-N 1 2 363.801 2.923 20 5 FFBDLO O=[N+]([O-])c1ccc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC001227464000 1035566277 /nfs/dbraw/zinc/56/62/77/1035566277.db2.gz VCDYUGCAGOGQGF-INIZCTEOSA-N 1 2 373.365 2.783 20 5 FFBDLO O=[N+]([O-])c1ccc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC001227464000 1035566286 /nfs/dbraw/zinc/56/62/86/1035566286.db2.gz VCDYUGCAGOGQGF-INIZCTEOSA-N 1 2 373.365 2.783 20 5 FFBDLO CC(C)(C)c1nc(COC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)no1 ZINC000835364398 1035717639 /nfs/dbraw/zinc/71/76/39/1035717639.db2.gz ZMORQNMAJSKDFU-UHFFFAOYSA-N 1 2 371.353 2.818 20 5 FFBDLO O=[N+]([O-])c1c(Cl)nccc1OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001228056330 1035905426 /nfs/dbraw/zinc/90/54/26/1035905426.db2.gz CBYHYCHLWGVBKO-AWEZNQCLSA-N 1 2 363.801 2.923 20 5 FFBDLO O=[N+]([O-])c1c(Cl)nccc1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001228056330 1035905433 /nfs/dbraw/zinc/90/54/33/1035905433.db2.gz CBYHYCHLWGVBKO-AWEZNQCLSA-N 1 2 363.801 2.923 20 5 FFBDLO CCCSc1nc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229794482 1036901756 /nfs/dbraw/zinc/90/17/56/1036901756.db2.gz ACUZIILPUBVASA-URLYPYJESA-N 1 2 354.432 2.597 20 5 FFBDLO CCCSc1nc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229794482 1036901772 /nfs/dbraw/zinc/90/17/72/1036901772.db2.gz ACUZIILPUBVASA-URLYPYJESA-N 1 2 354.432 2.597 20 5 FFBDLO O=[N+]([O-])c1ccccc1N1CC[C@H](Oc2cc3c(cc2O)C=[NH+]CC3)C1 ZINC001230921145 1037407609 /nfs/dbraw/zinc/40/76/09/1037407609.db2.gz FEDILCWGZXFSFV-HNNXBMFYSA-N 1 2 353.378 2.933 20 5 FFBDLO Cc1c(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccnc2)cccc1[N+](=O)[O-] ZINC001255690658 1038130065 /nfs/dbraw/zinc/13/00/65/1038130065.db2.gz WUKVEFSINGUULJ-IBGZPJMESA-N 1 2 368.437 2.969 20 5 FFBDLO Cc1c(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)cccc1[N+](=O)[O-] ZINC001255690658 1038130074 /nfs/dbraw/zinc/13/00/74/1038130074.db2.gz WUKVEFSINGUULJ-IBGZPJMESA-N 1 2 368.437 2.969 20 5 FFBDLO O=[N+]([O-])c1cc(F)cnc1-c1noc(CCc2cn3ccccc3[nH+]2)n1 ZINC001248122798 1040136966 /nfs/dbraw/zinc/13/69/66/1040136966.db2.gz MUJKHWSWHHGUBC-UHFFFAOYSA-N 1 2 354.301 2.612 20 5 FFBDLO O=C(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)OCc1ccccc1 ZINC001254465514 1040733143 /nfs/dbraw/zinc/73/31/43/1040733143.db2.gz ABRGYFSHCLFPAR-UHFFFAOYSA-N 1 2 369.421 2.897 20 5 FFBDLO COC(=O)[C@](C)(Cc1ccccc1)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254582438 1040815144 /nfs/dbraw/zinc/81/51/44/1040815144.db2.gz UNTZTMWEAPAJTI-PXNSSMCTSA-N 1 2 354.406 2.826 20 5 FFBDLO COc1ccc(-c2nc(-c3ccccc3-n3cc[nH+]c3)no2)nc1[N+](=O)[O-] ZINC001213855146 1041001175 /nfs/dbraw/zinc/00/11/75/1041001175.db2.gz SFULNNKYLXNUPD-UHFFFAOYSA-N 1 2 364.321 2.901 20 5 FFBDLO C[NH+]1CCN(c2cccc3[nH]c(-c4cc(O)ccc4[N+](=O)[O-])nc32)CC1 ZINC001250854052 1041402957 /nfs/dbraw/zinc/40/29/57/1041402957.db2.gz MTRITKXWWZQCEW-UHFFFAOYSA-N 1 2 353.382 2.596 20 5 FFBDLO O=C(N[C@H]1CCOCC12CCCC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001262825887 1041879692 /nfs/dbraw/zinc/87/96/92/1041879692.db2.gz XHZRUXDRNBRIAA-KRWDZBQOSA-N 1 2 370.409 2.860 20 5 FFBDLO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCCc1cn2c([nH+]1)CCCC2 ZINC001540685278 1070967315 /nfs/dbraw/zinc/96/73/15/1070967315.db2.gz HWGMLYNXHHRBEP-UHFFFAOYSA-N 1 2 362.817 2.682 20 5 FFBDLO CC(C)c1nc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cs1 ZINC001342420455 1051016012 /nfs/dbraw/zinc/01/60/12/1051016012.db2.gz HSZWGRLMKMOVRI-UHFFFAOYSA-N 1 2 369.468 2.738 20 5 FFBDLO Cn1ccnc1C(=O)c1ccc(NCC(C)(C)n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001307165424 1052261087 /nfs/dbraw/zinc/26/10/87/1052261087.db2.gz IAARLLGLSUXLKU-UHFFFAOYSA-N 1 2 368.397 2.603 20 5 FFBDLO COc1ccc(C[C@@H]2CC[N@@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC001307525418 1052317344 /nfs/dbraw/zinc/31/73/44/1052317344.db2.gz FDGPNVLRPVBSQR-HNNXBMFYSA-N 1 2 355.394 2.859 20 5 FFBDLO COc1ccc(C[C@@H]2CC[N@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC001307525418 1052317347 /nfs/dbraw/zinc/31/73/47/1052317347.db2.gz FDGPNVLRPVBSQR-HNNXBMFYSA-N 1 2 355.394 2.859 20 5 FFBDLO C[N@H+](CC[N+](=O)[O-])Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC001334854311 1053116669 /nfs/dbraw/zinc/11/66/69/1053116669.db2.gz WRLSTSJAXYYIPP-CYBMUJFWSA-N 1 2 373.247 2.715 20 5 FFBDLO C[N@@H+](CC[N+](=O)[O-])Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC001334854311 1053116672 /nfs/dbraw/zinc/11/66/72/1053116672.db2.gz WRLSTSJAXYYIPP-CYBMUJFWSA-N 1 2 373.247 2.715 20 5 FFBDLO O=C(N[C@@H](C1CCC1)[C@H]1CCCO1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001543304339 1071442752 /nfs/dbraw/zinc/44/27/52/1071442752.db2.gz RNGYEHVLCYAUEM-MSOLQXFVSA-N 1 2 370.409 2.858 20 5 FFBDLO O=C(Nc1cccc2c1CCO2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001543731492 1071535007 /nfs/dbraw/zinc/53/50/07/1071535007.db2.gz REHXKXOKDZWRMR-UHFFFAOYSA-N 1 2 350.334 2.968 20 5 FFBDLO CC(C)Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n[nH]1 ZINC001300039366 1055542305 /nfs/dbraw/zinc/54/23/05/1055542305.db2.gz PBIDCOLBVSYLKL-UHFFFAOYSA-N 1 2 354.370 2.954 20 5 FFBDLO Cc1ccc(OCCNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)cc1 ZINC001352694302 1055719002 /nfs/dbraw/zinc/71/90/02/1055719002.db2.gz FGCRVZGPKWSYFA-UHFFFAOYSA-N 1 2 366.377 2.898 20 5 FFBDLO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001454269499 1059480284 /nfs/dbraw/zinc/48/02/84/1059480284.db2.gz VTRJXVIAOZFLFM-INIZCTEOSA-N 1 2 361.785 2.741 20 5 FFBDLO CC(C)Oc1cc(C(=O)NCc2[nH]c3c([nH+]2)CCCC3)ccc1[N+](=O)[O-] ZINC001456238773 1060066665 /nfs/dbraw/zinc/06/66/65/1060066665.db2.gz JNTOSGXFPSSZDO-UHFFFAOYSA-N 1 2 358.398 2.914 20 5 FFBDLO Cc1cc(C)c(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c[nH+]1 ZINC001528920295 1062095154 /nfs/dbraw/zinc/09/51/54/1062095154.db2.gz OSXLCQZROQSAGB-UHFFFAOYSA-N 1 2 351.366 2.722 20 5 FFBDLO O=C(OC[C@@H]1CCCC[N@H+]1Cc1cccnc1[N+](=O)[O-])N1CCCCC1 ZINC001473450211 1065264524 /nfs/dbraw/zinc/26/45/24/1065264524.db2.gz WBXPMZBPKJPIIE-INIZCTEOSA-N 1 2 362.430 2.967 20 5 FFBDLO O=C(OC[C@@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-])N1CCCCC1 ZINC001473450211 1065264536 /nfs/dbraw/zinc/26/45/36/1065264536.db2.gz WBXPMZBPKJPIIE-INIZCTEOSA-N 1 2 362.430 2.967 20 5 FFBDLO COc1c(O)ccc(C[NH2+]Cc2ccc(Br)o2)c1[N+](=O)[O-] ZINC001474458803 1065527074 /nfs/dbraw/zinc/52/70/74/1065527074.db2.gz MDRYDZPDZMTCMV-UHFFFAOYSA-N 1 2 357.160 2.954 20 5 FFBDLO CN(C)c1nc(Cl)c(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)s1 ZINC001474666926 1065573377 /nfs/dbraw/zinc/57/33/77/1065573377.db2.gz FWPVCMHJZOUVLN-HNNXBMFYSA-N 1 2 370.862 2.768 20 5 FFBDLO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CCc3ccccc3[C@@H]2CO)o1 ZINC001559624496 1076178278 /nfs/dbraw/zinc/17/82/78/1076178278.db2.gz LVYWNRPTDPXYMU-KRWDZBQOSA-N 1 2 366.377 2.737 20 5 FFBDLO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CCc3ccccc3[C@@H]2CO)o1 ZINC001559624496 1076178282 /nfs/dbraw/zinc/17/82/82/1076178282.db2.gz LVYWNRPTDPXYMU-KRWDZBQOSA-N 1 2 366.377 2.737 20 5 FFBDLO Cc1n[nH]cc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001560053793 1076218476 /nfs/dbraw/zinc/21/84/76/1076218476.db2.gz JYDYOKPSTAJCQQ-SNVBAGLBSA-N 1 2 351.794 2.739 20 5 FFBDLO Cc1n[nH]cc1C[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001560053793 1076218479 /nfs/dbraw/zinc/21/84/79/1076218479.db2.gz JYDYOKPSTAJCQQ-SNVBAGLBSA-N 1 2 351.794 2.739 20 5 FFBDLO COc1ccc(OCC[N@@H+]2CCS[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC001560147199 1076236090 /nfs/dbraw/zinc/23/60/90/1076236090.db2.gz KXUQDKMQAQSRKO-CYBMUJFWSA-N 1 2 366.361 2.962 20 5 FFBDLO COc1ccc(OCC[N@H+]2CCS[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC001560147199 1076236097 /nfs/dbraw/zinc/23/60/97/1076236097.db2.gz KXUQDKMQAQSRKO-CYBMUJFWSA-N 1 2 366.361 2.962 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(c2ncccn2)CC1 ZINC001560157172 1076238148 /nfs/dbraw/zinc/23/81/48/1076238148.db2.gz PTHQDLSITXJTQW-UHFFFAOYSA-N 1 2 355.398 2.511 20 5 FFBDLO O=C(COc1cccc([N+](=O)[O-])c1)NCCn1c[nH+]cc1-c1ccccc1 ZINC001586318267 1079598962 /nfs/dbraw/zinc/59/89/62/1079598962.db2.gz CFMZIDDRWSASMC-UHFFFAOYSA-N 1 2 366.377 2.654 20 5 FFBDLO COc1ccc(C[N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000024771856 249336813 /nfs/dbraw/zinc/33/68/13/249336813.db2.gz DMGAZSWCOQLFRX-UHFFFAOYSA-N 1 2 373.409 2.707 20 5 FFBDLO COc1ccc(C[N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000024771856 249336817 /nfs/dbraw/zinc/33/68/17/249336817.db2.gz DMGAZSWCOQLFRX-UHFFFAOYSA-N 1 2 373.409 2.707 20 5 FFBDLO CC[N@H+](Cc1cnn(C)c1)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000101730595 250087846 /nfs/dbraw/zinc/08/78/46/250087846.db2.gz XPBCYXSAZGYMTN-UHFFFAOYSA-N 1 2 370.356 2.960 20 5 FFBDLO CC[N@@H+](Cc1cnn(C)c1)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000101730595 250087851 /nfs/dbraw/zinc/08/78/51/250087851.db2.gz XPBCYXSAZGYMTN-UHFFFAOYSA-N 1 2 370.356 2.960 20 5 FFBDLO Cc1ccc([C@H](O)C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000272511816 252056236 /nfs/dbraw/zinc/05/62/36/252056236.db2.gz JFALBKYXQQSPDB-NVXWUHKLSA-N 1 2 356.382 2.642 20 5 FFBDLO O=C(NCc1ccc(N2CCCCC2)[nH+]c1)Nc1ccncc1[N+](=O)[O-] ZINC000272663493 252093917 /nfs/dbraw/zinc/09/39/17/252093917.db2.gz ILDDYQJOJJWUKE-UHFFFAOYSA-N 1 2 356.386 2.697 20 5 FFBDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3c[nH]c4ccc([N+](=O)[O-])cc43)n2)C1 ZINC000272664529 252095969 /nfs/dbraw/zinc/09/59/69/252095969.db2.gz PEKJOXUFFKUWAQ-OAHLLOKOSA-N 1 2 357.370 2.908 20 5 FFBDLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3c[nH]c4ccc([N+](=O)[O-])cc43)n2)C1 ZINC000272664529 252095975 /nfs/dbraw/zinc/09/59/75/252095975.db2.gz PEKJOXUFFKUWAQ-OAHLLOKOSA-N 1 2 357.370 2.908 20 5 FFBDLO CC(C)(C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000273935047 255812583 /nfs/dbraw/zinc/81/25/83/255812583.db2.gz SDZDEGSSESLVLT-UHFFFAOYSA-N 1 2 372.400 2.755 20 5 FFBDLO CCOc1cc(CN2CC[NH+](Cc3c(C)noc3C)CC2)ccc1[N+](=O)[O-] ZINC000276896009 256140523 /nfs/dbraw/zinc/14/05/23/256140523.db2.gz KZZOBWHTWYCXNE-UHFFFAOYSA-N 1 2 374.441 2.916 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000288990729 257245096 /nfs/dbraw/zinc/24/50/96/257245096.db2.gz FLRADLROJOUPGU-HIFRSBDPSA-N 1 2 362.430 2.539 20 5 FFBDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)[NH+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000292298127 257480829 /nfs/dbraw/zinc/48/08/29/257480829.db2.gz MPULCXAJVLQKKC-CKEIUWERSA-N 1 2 363.458 2.596 20 5 FFBDLO C[C@@H](CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000295045458 257613675 /nfs/dbraw/zinc/61/36/75/257613675.db2.gz SKBJDTIOVCWXCO-JTQLQIEISA-N 1 2 356.304 2.876 20 5 FFBDLO Cc1cc(Cl)c(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000295556958 257637482 /nfs/dbraw/zinc/63/74/82/257637482.db2.gz VEOVHGBTLOQZEN-LBPRGKRZSA-N 1 2 360.801 2.960 20 5 FFBDLO Cc1ccnc(NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)c1[N+](=O)[O-] ZINC000301298550 258040668 /nfs/dbraw/zinc/04/06/68/258040668.db2.gz PYORKPIDJXIIER-ZIAGYGMSSA-N 1 2 357.414 2.919 20 5 FFBDLO CC[C@@H](O)C[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cc2Br)CC1 ZINC000302713370 258108584 /nfs/dbraw/zinc/10/85/84/258108584.db2.gz XLPGCOQDRVQBFR-GFCCVEGCSA-N 1 2 372.263 2.559 20 5 FFBDLO O=[N+]([O-])c1cc(Br)cnc1N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000301647822 258060713 /nfs/dbraw/zinc/06/07/13/258060713.db2.gz DYGLUVYDEJJNTK-LBPRGKRZSA-N 1 2 365.187 2.805 20 5 FFBDLO COC(=O)c1cc(N2CC[C@H](Oc3cc[nH+]cc3)C2)cc(C)c1[N+](=O)[O-] ZINC000301692491 258063050 /nfs/dbraw/zinc/06/30/50/258063050.db2.gz YHLYJTWEXNKNOS-HNNXBMFYSA-N 1 2 357.366 2.743 20 5 FFBDLO CCN1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000332394711 258228615 /nfs/dbraw/zinc/22/86/15/258228615.db2.gz DUAPXXKJFQNOJY-OAHLLOKOSA-N 1 2 358.402 2.537 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc(O)c3)CC2)c([N+](=O)[O-])c1 ZINC000072067516 132303112 /nfs/dbraw/zinc/30/31/12/132303112.db2.gz SUWOCEJJMZFGSN-UHFFFAOYSA-N 1 2 358.354 2.531 20 5 FFBDLO COC(=O)CCCCCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032248107 506234978 /nfs/dbraw/zinc/23/49/78/506234978.db2.gz JVIWLGPTCSVXJM-UHFFFAOYSA-N 1 2 374.397 2.634 20 5 FFBDLO Cc1cc(C(=O)N2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)c(C)o1 ZINC000065536717 506318161 /nfs/dbraw/zinc/31/81/61/506318161.db2.gz ORLMSAPLYYCGOK-UHFFFAOYSA-N 1 2 373.409 2.641 20 5 FFBDLO CCc1cc(NCCNC(=O)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000053551044 506402064 /nfs/dbraw/zinc/40/20/64/506402064.db2.gz DLXCLJNYLXCAAL-UHFFFAOYSA-N 1 2 357.414 2.798 20 5 FFBDLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000054149019 506500817 /nfs/dbraw/zinc/50/08/17/506500817.db2.gz TVHAGCUZTYSESX-UHFFFAOYSA-N 1 2 354.341 2.909 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000054516051 506572593 /nfs/dbraw/zinc/57/25/93/506572593.db2.gz WJFQGMHZFCORDF-MRXNPFEDSA-N 1 2 354.341 2.987 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)ccc1NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000042108644 506597507 /nfs/dbraw/zinc/59/75/07/506597507.db2.gz ZHQYXYZSXVIVJT-HNNXBMFYSA-N 1 2 357.863 2.868 20 5 FFBDLO O=C(CCNc1ccccc1[N+](=O)[O-])NCc1ccccc1-n1cc[nH+]c1 ZINC000055696768 506828278 /nfs/dbraw/zinc/82/82/78/506828278.db2.gz JAHCSMZBSTWCES-UHFFFAOYSA-N 1 2 365.393 2.899 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000067540430 506917129 /nfs/dbraw/zinc/91/71/29/506917129.db2.gz MLGQKQLDFRDSRA-GOSISDBHSA-N 1 2 355.394 2.732 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000067540430 506917135 /nfs/dbraw/zinc/91/71/35/506917135.db2.gz MLGQKQLDFRDSRA-GOSISDBHSA-N 1 2 355.394 2.732 20 5 FFBDLO COc1ccc(CC(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000067815721 507017128 /nfs/dbraw/zinc/01/71/28/507017128.db2.gz ZUOWMPMAHAJJKN-UHFFFAOYSA-N 1 2 352.350 2.970 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@H](C[NH+]2CCOCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000015143236 507023469 /nfs/dbraw/zinc/02/34/69/507023469.db2.gz AGTXHFPQGXHTCW-QGZVFWFLSA-N 1 2 372.381 2.988 20 5 FFBDLO COc1ccc(CC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cc1[N+](=O)[O-] ZINC000067903749 507046744 /nfs/dbraw/zinc/04/67/44/507046744.db2.gz VCTQSAFXMXECJR-UHFFFAOYSA-N 1 2 374.784 2.763 20 5 FFBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046616550 507160954 /nfs/dbraw/zinc/16/09/54/507160954.db2.gz KRRXWZYRLQWNFU-UHFFFAOYSA-N 1 2 372.450 2.867 20 5 FFBDLO CNC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000046905897 507221243 /nfs/dbraw/zinc/22/12/43/507221243.db2.gz AVJRBLIHNGQJNZ-UHFFFAOYSA-N 1 2 360.439 2.780 20 5 FFBDLO O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccc(-n2cc[nH+]c2)cc1 ZINC000024050438 507386070 /nfs/dbraw/zinc/38/60/70/507386070.db2.gz UWBBNUADHHKUDW-UHFFFAOYSA-N 1 2 351.366 2.622 20 5 FFBDLO Cc1cc(N2CC[NH+](CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000059384313 507498981 /nfs/dbraw/zinc/49/89/81/507498981.db2.gz ZZPGXNRPMVJJGV-IYBDPMFKSA-N 1 2 374.485 2.530 20 5 FFBDLO CCCCC[N@H+](CC(N)=O)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425438084 513565603 /nfs/dbraw/zinc/56/56/03/513565603.db2.gz ALNXEIXYMHJSTB-UHFFFAOYSA-N 1 2 358.236 2.835 20 5 FFBDLO CCCCC[N@@H+](CC(N)=O)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425438084 513565609 /nfs/dbraw/zinc/56/56/09/513565609.db2.gz ALNXEIXYMHJSTB-UHFFFAOYSA-N 1 2 358.236 2.835 20 5 FFBDLO O=C(NCCCOC1CCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000061258976 507605949 /nfs/dbraw/zinc/60/59/49/507605949.db2.gz AFIFQXHPVRXBAW-UHFFFAOYSA-N 1 2 358.398 2.860 20 5 FFBDLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000371354571 512349724 /nfs/dbraw/zinc/34/97/24/512349724.db2.gz MTRSYLDDERPLID-NSHDSACASA-N 1 2 369.406 2.729 20 5 FFBDLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000371354571 512349733 /nfs/dbraw/zinc/34/97/33/512349733.db2.gz MTRSYLDDERPLID-NSHDSACASA-N 1 2 369.406 2.729 20 5 FFBDLO O=C(c1ccc(F)cc1)N1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000051208892 507749733 /nfs/dbraw/zinc/74/97/33/507749733.db2.gz DFNYOEBYVOBMBH-UHFFFAOYSA-N 1 2 373.384 2.571 20 5 FFBDLO CNc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)cc1[N+](=O)[O-] ZINC000029067516 507756487 /nfs/dbraw/zinc/75/64/87/507756487.db2.gz FZRBMUWXLBCEGM-KRWDZBQOSA-N 1 2 365.393 2.889 20 5 FFBDLO O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000078072677 507830751 /nfs/dbraw/zinc/83/07/51/507830751.db2.gz XDMWJJVDQPAVEB-KRWDZBQOSA-N 1 2 359.357 2.573 20 5 FFBDLO O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000078072677 507830753 /nfs/dbraw/zinc/83/07/53/507830753.db2.gz XDMWJJVDQPAVEB-KRWDZBQOSA-N 1 2 359.357 2.573 20 5 FFBDLO C[NH+](C)[C@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccs1 ZINC000078923441 507916816 /nfs/dbraw/zinc/91/68/16/507916816.db2.gz YHAFNWTXLIHQDW-CYBMUJFWSA-N 1 2 359.411 2.565 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H](C)c1cccc(O)c1 ZINC000109783597 507986089 /nfs/dbraw/zinc/98/60/89/507986089.db2.gz KTGBJVOTPYMOFZ-GFCCVEGCSA-N 1 2 359.382 2.941 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H](C)c1cccc(O)c1 ZINC000109783597 507986091 /nfs/dbraw/zinc/98/60/91/507986091.db2.gz KTGBJVOTPYMOFZ-GFCCVEGCSA-N 1 2 359.382 2.941 20 5 FFBDLO CCOC(=O)c1ccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)o1 ZINC000092048182 508038033 /nfs/dbraw/zinc/03/80/33/508038033.db2.gz FEXXKXXMBPQBKL-UHFFFAOYSA-N 1 2 359.382 2.687 20 5 FFBDLO Cc1cc(NCc2cccc(OCC[NH+]3CCOCC3)c2)ncc1[N+](=O)[O-] ZINC000074743390 508051461 /nfs/dbraw/zinc/05/14/61/508051461.db2.gz UMGIJRSDCOPVJC-UHFFFAOYSA-N 1 2 372.425 2.621 20 5 FFBDLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1O ZINC000080962694 508118051 /nfs/dbraw/zinc/11/80/51/508118051.db2.gz XXNWDFKLZAIKOP-LBPRGKRZSA-N 1 2 359.382 2.768 20 5 FFBDLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1O ZINC000080962694 508118054 /nfs/dbraw/zinc/11/80/54/508118054.db2.gz XXNWDFKLZAIKOP-LBPRGKRZSA-N 1 2 359.382 2.768 20 5 FFBDLO Cc1ccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)cc1[N+](=O)[O-] ZINC000075954833 508146031 /nfs/dbraw/zinc/14/60/31/508146031.db2.gz JYCBMASNDUKDOS-UHFFFAOYSA-N 1 2 352.354 2.806 20 5 FFBDLO CCc1nsc(N2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000093642959 508150733 /nfs/dbraw/zinc/15/07/33/508150733.db2.gz YTIOTQVVJMUQII-FNORWQNLSA-N 1 2 359.455 2.844 20 5 FFBDLO COc1ccccc1C[NH+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000076227196 508172744 /nfs/dbraw/zinc/17/27/44/508172744.db2.gz LEXLLLNHRITHMY-UHFFFAOYSA-N 1 2 361.423 2.623 20 5 FFBDLO O=C(Cc1cccc([N+](=O)[O-])c1)NCc1[nH+]ccn1CCc1ccccc1 ZINC000081931024 508218998 /nfs/dbraw/zinc/21/89/98/508218998.db2.gz HBSHERGDXAEROK-UHFFFAOYSA-N 1 2 364.405 2.893 20 5 FFBDLO Cn1cc[nH+]c1CNc1ccc(I)cc1[N+](=O)[O-] ZINC000097348059 508223442 /nfs/dbraw/zinc/22/34/42/508223442.db2.gz YIGDRZGBQDVRAZ-UHFFFAOYSA-N 1 2 358.139 2.545 20 5 FFBDLO C[NH+](C)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1c(F)cccc1F ZINC000115411046 508391986 /nfs/dbraw/zinc/39/19/86/508391986.db2.gz KBHNTHGQBQPDOV-MRXNPFEDSA-N 1 2 363.364 2.835 20 5 FFBDLO CCOC(=O)c1ccnc(NCc2cn3c(cccc3C)[nH+]2)c1[N+](=O)[O-] ZINC000077965948 508394976 /nfs/dbraw/zinc/39/49/76/508394976.db2.gz KSVLLERBGAQVAD-UHFFFAOYSA-N 1 2 355.354 2.735 20 5 FFBDLO Cc1ccc(NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000127594074 508474122 /nfs/dbraw/zinc/47/41/22/508474122.db2.gz OVICUSGUDSVBHG-UHFFFAOYSA-N 1 2 362.773 2.629 20 5 FFBDLO O=C(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N1CCc2sccc2C1 ZINC000153403709 508579038 /nfs/dbraw/zinc/57/90/38/508579038.db2.gz FBNQFCKBJLQUMS-UHFFFAOYSA-N 1 2 357.435 2.599 20 5 FFBDLO O=C(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N1CCc2sccc2C1 ZINC000153403709 508579042 /nfs/dbraw/zinc/57/90/42/508579042.db2.gz FBNQFCKBJLQUMS-UHFFFAOYSA-N 1 2 357.435 2.599 20 5 FFBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000129713125 508757253 /nfs/dbraw/zinc/75/72/53/508757253.db2.gz YCYNVMRNNDZQFK-UHFFFAOYSA-N 1 2 357.370 2.779 20 5 FFBDLO Cc1cc(C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)ccc1[N+](=O)[O-] ZINC000130020620 508788381 /nfs/dbraw/zinc/78/83/81/508788381.db2.gz HRDZVIODEHDCGP-UHFFFAOYSA-N 1 2 355.394 2.567 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000369451557 512417513 /nfs/dbraw/zinc/41/75/13/512417513.db2.gz KGGHYNNPMOXHQF-SNVBAGLBSA-N 1 2 366.324 2.559 20 5 FFBDLO CC(=O)N1CCC(Nc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000140881577 508809387 /nfs/dbraw/zinc/80/93/87/508809387.db2.gz BUJJGMIGKKUVDL-UHFFFAOYSA-N 1 2 355.398 2.783 20 5 FFBDLO COC(=O)c1cc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c(C)o1 ZINC000143363297 508830455 /nfs/dbraw/zinc/83/04/55/508830455.db2.gz DVGBSZCMUTZILN-UHFFFAOYSA-N 1 2 359.382 2.605 20 5 FFBDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000154840844 508867055 /nfs/dbraw/zinc/86/70/55/508867055.db2.gz OLHRKANQYOLPNA-ZDUSSCGKSA-N 1 2 363.377 2.547 20 5 FFBDLO C[C@@H](SCC[NH+]1CCOCC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000159923076 508911989 /nfs/dbraw/zinc/91/19/89/508911989.db2.gz HXZAGWPJYRRMBJ-GFCCVEGCSA-N 1 2 364.427 2.771 20 5 FFBDLO O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000160430826 508986017 /nfs/dbraw/zinc/98/60/17/508986017.db2.gz AYBTZDLDSFMXDJ-UHFFFAOYSA-N 1 2 372.406 2.765 20 5 FFBDLO CC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000155562946 509027351 /nfs/dbraw/zinc/02/73/51/509027351.db2.gz HBLJQVIGIOOOIR-CYBMUJFWSA-N 1 2 370.247 2.705 20 5 FFBDLO CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000155562946 509027355 /nfs/dbraw/zinc/02/73/55/509027355.db2.gz HBLJQVIGIOOOIR-CYBMUJFWSA-N 1 2 370.247 2.705 20 5 FFBDLO Cc1cc(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)ccc1[N+](=O)[O-] ZINC000155616708 509038805 /nfs/dbraw/zinc/03/88/05/509038805.db2.gz GXQYAJLWQZSFGR-UHFFFAOYSA-N 1 2 356.382 2.696 20 5 FFBDLO Cc1cccc(C[NH+](CCn2ccc([N+](=O)[O-])n2)Cc2cccc(C)n2)n1 ZINC000132621467 509053706 /nfs/dbraw/zinc/05/37/06/509053706.db2.gz VKVWEQGZKQVMTE-UHFFFAOYSA-N 1 2 366.425 2.901 20 5 FFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000121542702 509178035 /nfs/dbraw/zinc/17/80/35/509178035.db2.gz LYNSNTPTNKMBMC-QGZVFWFLSA-N 1 2 373.365 2.559 20 5 FFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000121542702 509178036 /nfs/dbraw/zinc/17/80/36/509178036.db2.gz LYNSNTPTNKMBMC-QGZVFWFLSA-N 1 2 373.365 2.559 20 5 FFBDLO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[NH+]1CCCCCC1 ZINC000175993636 509263035 /nfs/dbraw/zinc/26/30/35/509263035.db2.gz LNDGEPXVXFHQKR-LBPRGKRZSA-N 1 2 358.402 2.583 20 5 FFBDLO CC(=O)c1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)nc1 ZINC000179118811 509272572 /nfs/dbraw/zinc/27/25/72/509272572.db2.gz TVPYMEVRRPELJR-UHFFFAOYSA-N 1 2 351.322 2.630 20 5 FFBDLO CCOc1cc(NC2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)ncn1 ZINC000185665523 509294882 /nfs/dbraw/zinc/29/48/82/509294882.db2.gz LWQSFJHASZABPC-UHFFFAOYSA-N 1 2 363.443 2.922 20 5 FFBDLO O=C(Cc1cccc([N+](=O)[O-])c1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000172965432 509325890 /nfs/dbraw/zinc/32/58/90/509325890.db2.gz RYHHGLGOBHVODG-UHFFFAOYSA-N 1 2 350.378 2.699 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCS[C@H]3CCCC[C@H]32)cc1 ZINC000248478554 509338990 /nfs/dbraw/zinc/33/89/90/509338990.db2.gz ZJECYOIFUNXBSD-CVEARBPZSA-N 1 2 370.496 2.729 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCS[C@H]3CCCC[C@H]32)cc1 ZINC000248478554 509338994 /nfs/dbraw/zinc/33/89/94/509338994.db2.gz ZJECYOIFUNXBSD-CVEARBPZSA-N 1 2 370.496 2.729 20 5 FFBDLO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000179315885 509371410 /nfs/dbraw/zinc/37/14/10/509371410.db2.gz DQADPQSIRZOOJC-UHFFFAOYSA-N 1 2 374.441 2.992 20 5 FFBDLO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000179315885 509371417 /nfs/dbraw/zinc/37/14/17/509371417.db2.gz DQADPQSIRZOOJC-UHFFFAOYSA-N 1 2 374.441 2.992 20 5 FFBDLO Cc1sc(C(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000228016770 509416324 /nfs/dbraw/zinc/41/63/24/509416324.db2.gz CLHGIBOELBXPDF-SGMGOOAPSA-N 1 2 367.471 2.679 20 5 FFBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000192245659 509424907 /nfs/dbraw/zinc/42/49/07/509424907.db2.gz YLSVXWIMPRXXLL-UHFFFAOYSA-N 1 2 374.397 2.635 20 5 FFBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000192259951 509430496 /nfs/dbraw/zinc/43/04/96/509430496.db2.gz HKQRCLUEHPIBSS-UHFFFAOYSA-N 1 2 360.414 2.915 20 5 FFBDLO NC(=O)c1ccc(C[N@@H+]2CCO[C@H](CCc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000186071343 509509747 /nfs/dbraw/zinc/50/97/47/509509747.db2.gz RQPCZUSXAYERER-GOSISDBHSA-N 1 2 369.421 2.527 20 5 FFBDLO NC(=O)c1ccc(C[N@H+]2CCO[C@H](CCc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000186071343 509509758 /nfs/dbraw/zinc/50/97/58/509509758.db2.gz RQPCZUSXAYERER-GOSISDBHSA-N 1 2 369.421 2.527 20 5 FFBDLO CC[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000183016909 509548023 /nfs/dbraw/zinc/54/80/23/509548023.db2.gz RXILNZBULDYDEY-OAHLLOKOSA-N 1 2 367.402 2.622 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1nccn1C(F)F ZINC000173672601 509712497 /nfs/dbraw/zinc/71/24/97/509712497.db2.gz FTFPRBKVJCDQQI-UHFFFAOYSA-N 1 2 367.356 2.955 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1nccn1C(F)F ZINC000173672601 509712503 /nfs/dbraw/zinc/71/25/03/509712503.db2.gz FTFPRBKVJCDQQI-UHFFFAOYSA-N 1 2 367.356 2.955 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000183320236 509714424 /nfs/dbraw/zinc/71/44/24/509714424.db2.gz MKJYMRCYZRFHOM-UHFFFAOYSA-N 1 2 355.394 2.567 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c(Cl)c1 ZINC000268104288 509757084 /nfs/dbraw/zinc/75/70/84/509757084.db2.gz BSFNNISWNYTYQW-UHFFFAOYSA-N 1 2 370.818 2.540 20 5 FFBDLO CCc1c[nH+]ccc1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000264983780 509808315 /nfs/dbraw/zinc/80/83/15/509808315.db2.gz IDKYDXXXJMFXAL-UHFFFAOYSA-N 1 2 370.365 2.879 20 5 FFBDLO O=C(C[N@@H+]1CC[C@]2(C1)OCc1ccccc12)Nc1ccccc1[N+](=O)[O-] ZINC000186692861 509856455 /nfs/dbraw/zinc/85/64/55/509856455.db2.gz BNBXPPJQTDMAJM-LJQANCHMSA-N 1 2 353.378 2.665 20 5 FFBDLO O=C(C[N@H+]1CC[C@]2(C1)OCc1ccccc12)Nc1ccccc1[N+](=O)[O-] ZINC000186692861 509856456 /nfs/dbraw/zinc/85/64/56/509856456.db2.gz BNBXPPJQTDMAJM-LJQANCHMSA-N 1 2 353.378 2.665 20 5 FFBDLO C[C@H](c1cccnc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000265122019 509873133 /nfs/dbraw/zinc/87/31/33/509873133.db2.gz KFMZASMXAPFWEA-CYBMUJFWSA-N 1 2 357.370 2.781 20 5 FFBDLO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCCCNc1cccc[nH+]1 ZINC000180409186 509911237 /nfs/dbraw/zinc/91/12/37/509911237.db2.gz PEZQRZPPOFDRPW-UHFFFAOYSA-N 1 2 357.370 2.861 20 5 FFBDLO Cc1ccc([C@H](C)NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000193452669 509920261 /nfs/dbraw/zinc/92/02/61/509920261.db2.gz DNEKAOVEMOVZTH-KBXCAEBGSA-N 1 2 361.442 2.724 20 5 FFBDLO Cc1ccc([C@H](C)NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000193452669 509920271 /nfs/dbraw/zinc/92/02/71/509920271.db2.gz DNEKAOVEMOVZTH-KBXCAEBGSA-N 1 2 361.442 2.724 20 5 FFBDLO CCc1ccc(C(=O)NCc2cccnc2-n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000174070241 509934800 /nfs/dbraw/zinc/93/48/00/509934800.db2.gz QCTNVOQNSIWSEE-UHFFFAOYSA-N 1 2 351.366 2.668 20 5 FFBDLO Cc1nnc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)[nH]1 ZINC000268484162 509961822 /nfs/dbraw/zinc/96/18/22/509961822.db2.gz ONVYRMQONXAACW-JSGCOSHPSA-N 1 2 372.429 2.536 20 5 FFBDLO Cc1nnc([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)[nH]1 ZINC000268484162 509961832 /nfs/dbraw/zinc/96/18/32/509961832.db2.gz ONVYRMQONXAACW-JSGCOSHPSA-N 1 2 372.429 2.536 20 5 FFBDLO Cc1n[nH]c([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000268484162 509961843 /nfs/dbraw/zinc/96/18/43/509961843.db2.gz ONVYRMQONXAACW-JSGCOSHPSA-N 1 2 372.429 2.536 20 5 FFBDLO Cc1n[nH]c([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000268484162 509961852 /nfs/dbraw/zinc/96/18/52/509961852.db2.gz ONVYRMQONXAACW-JSGCOSHPSA-N 1 2 372.429 2.536 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000193578244 509972009 /nfs/dbraw/zinc/97/20/09/509972009.db2.gz SPNPDOZOHVGIPC-OLZOCXBDSA-N 1 2 373.413 2.533 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000193578244 509972015 /nfs/dbraw/zinc/97/20/15/509972015.db2.gz SPNPDOZOHVGIPC-OLZOCXBDSA-N 1 2 373.413 2.533 20 5 FFBDLO COc1ccc([C@H](CO)[N@H+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000193960555 510151053 /nfs/dbraw/zinc/15/10/53/510151053.db2.gz CIIOIESCKHXMGL-KRWDZBQOSA-N 1 2 361.354 2.677 20 5 FFBDLO COc1ccc([C@H](CO)[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000193960555 510151058 /nfs/dbraw/zinc/15/10/58/510151058.db2.gz CIIOIESCKHXMGL-KRWDZBQOSA-N 1 2 361.354 2.677 20 5 FFBDLO COc1cc(C[NH+]2CCC(c3nc(C)no3)CC2)c([N+](=O)[O-])cc1F ZINC000184250912 510217518 /nfs/dbraw/zinc/21/75/18/510217518.db2.gz LPBVGSFLRYJYHQ-UHFFFAOYSA-N 1 2 350.350 2.814 20 5 FFBDLO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CC1 ZINC000187453598 510273923 /nfs/dbraw/zinc/27/39/23/510273923.db2.gz YMRTZFUZUQJGIU-GOSISDBHSA-N 1 2 369.421 2.941 20 5 FFBDLO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CC1 ZINC000187453598 510273927 /nfs/dbraw/zinc/27/39/27/510273927.db2.gz YMRTZFUZUQJGIU-GOSISDBHSA-N 1 2 369.421 2.941 20 5 FFBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000174904273 510377678 /nfs/dbraw/zinc/37/76/78/510377678.db2.gz FHUOLQHKTLLBBL-UHFFFAOYSA-N 1 2 358.398 2.962 20 5 FFBDLO CCCc1n[nH]c(C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)c1[N+](=O)[O-] ZINC000171806255 510380894 /nfs/dbraw/zinc/38/08/94/510380894.db2.gz ICRWXKSLLGFHPB-UHFFFAOYSA-N 1 2 361.402 2.563 20 5 FFBDLO CCCc1[nH]nc(C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)c1[N+](=O)[O-] ZINC000171806255 510380897 /nfs/dbraw/zinc/38/08/97/510380897.db2.gz ICRWXKSLLGFHPB-UHFFFAOYSA-N 1 2 361.402 2.563 20 5 FFBDLO C[C@H](C(=O)N1CC[NH+](Cc2cccnc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000184785248 510514812 /nfs/dbraw/zinc/51/48/12/510514812.db2.gz DFBFLDTVGXAYLH-AWEZNQCLSA-N 1 2 372.400 2.577 20 5 FFBDLO CCc1ccc([C@H](COC)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)o1 ZINC000184819072 510528379 /nfs/dbraw/zinc/52/83/79/510528379.db2.gz VEZFMUXZJKHQEL-INIZCTEOSA-N 1 2 361.398 2.974 20 5 FFBDLO Cc1ccc(C[N@H+](CCO)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000181959543 510679744 /nfs/dbraw/zinc/67/97/44/510679744.db2.gz FLEJTRNJWYPJDH-UHFFFAOYSA-N 1 2 368.393 2.948 20 5 FFBDLO Cc1ccc(C[N@@H+](CCO)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000181959543 510679749 /nfs/dbraw/zinc/67/97/49/510679749.db2.gz FLEJTRNJWYPJDH-UHFFFAOYSA-N 1 2 368.393 2.948 20 5 FFBDLO CCn1cc([N+](=O)[O-])c(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)n1 ZINC000191605011 510747265 /nfs/dbraw/zinc/74/72/65/510747265.db2.gz JOCJYDVPRCCNLO-UHFFFAOYSA-N 1 2 372.429 2.517 20 5 FFBDLO C[C@H]([NH2+][C@@H](C)c1c(F)cncc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000285512007 510936673 /nfs/dbraw/zinc/93/66/73/510936673.db2.gz DLNAUCAKZNXMIN-UWVGGRQHSA-N 1 2 350.325 2.946 20 5 FFBDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CCO2 ZINC000294089312 510951713 /nfs/dbraw/zinc/95/17/13/510951713.db2.gz LRFSVFCOLLKVIN-IAQYHMDHSA-N 1 2 360.332 2.993 20 5 FFBDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CCO2 ZINC000294089312 510951717 /nfs/dbraw/zinc/95/17/17/510951717.db2.gz LRFSVFCOLLKVIN-IAQYHMDHSA-N 1 2 360.332 2.993 20 5 FFBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000360939264 510968835 /nfs/dbraw/zinc/96/88/35/510968835.db2.gz BZKNAAIYJVRQLO-CYBMUJFWSA-N 1 2 374.466 2.967 20 5 FFBDLO Cc1noc(C2(C)CC[NH+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000364692508 511021604 /nfs/dbraw/zinc/02/16/04/511021604.db2.gz AEEHLIIWSHMGME-GFCCVEGCSA-N 1 2 373.413 2.667 20 5 FFBDLO COc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cc1[N+](=O)[O-] ZINC000270910310 511022521 /nfs/dbraw/zinc/02/25/21/511022521.db2.gz STVBXGWZEBCMNT-CQSZACIVSA-N 1 2 357.414 2.979 20 5 FFBDLO COc1ccc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cc1[N+](=O)[O-] ZINC000270910310 511022524 /nfs/dbraw/zinc/02/25/24/511022524.db2.gz STVBXGWZEBCMNT-CQSZACIVSA-N 1 2 357.414 2.979 20 5 FFBDLO Cc1c(C(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000297819022 511077773 /nfs/dbraw/zinc/07/77/73/511077773.db2.gz USARDZFOGHVWHM-AWEZNQCLSA-N 1 2 373.369 2.768 20 5 FFBDLO CC(C)[C@]1(CO)CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000294603255 511117733 /nfs/dbraw/zinc/11/77/33/511117733.db2.gz GIOOOMYHKJNGFM-LJQANCHMSA-N 1 2 372.425 2.651 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000298217809 511211768 /nfs/dbraw/zinc/21/17/68/511211768.db2.gz FNJLPXRANABAPH-HIFRSBDPSA-N 1 2 355.341 2.519 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000298217809 511211774 /nfs/dbraw/zinc/21/17/74/511211774.db2.gz FNJLPXRANABAPH-HIFRSBDPSA-N 1 2 355.341 2.519 20 5 FFBDLO COc1ccc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000298678582 511372194 /nfs/dbraw/zinc/37/21/94/511372194.db2.gz XJFQKAQIPNIOMK-UHFFFAOYSA-N 1 2 370.409 2.919 20 5 FFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000365362958 511404223 /nfs/dbraw/zinc/40/42/23/511404223.db2.gz MRLGTBGRLCKVKN-UHFFFAOYSA-N 1 2 371.784 2.688 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000365407084 511432273 /nfs/dbraw/zinc/43/22/73/511432273.db2.gz YVBNBRFJGNWPKL-ZDUSSCGKSA-N 1 2 357.414 2.587 20 5 FFBDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccco2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000298999333 511479096 /nfs/dbraw/zinc/47/90/96/511479096.db2.gz SSZDRPYTRLLPGN-CQSZACIVSA-N 1 2 358.398 2.776 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1nncn1C(C)C ZINC000292351518 511563257 /nfs/dbraw/zinc/56/32/57/511563257.db2.gz HKPUEFWIYOUZOM-UHFFFAOYSA-N 1 2 360.418 2.536 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1nncn1C(C)C ZINC000292351518 511563260 /nfs/dbraw/zinc/56/32/60/511563260.db2.gz HKPUEFWIYOUZOM-UHFFFAOYSA-N 1 2 360.418 2.536 20 5 FFBDLO Cc1cc(N2CCC(F)(F)[C@H](CO)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000292395742 511582059 /nfs/dbraw/zinc/58/20/59/511582059.db2.gz RGBYHWPLMYXGHT-ZDUSSCGKSA-N 1 2 364.352 2.814 20 5 FFBDLO C[C@@H](c1ccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000280918531 511653625 /nfs/dbraw/zinc/65/36/25/511653625.db2.gz JCRSJWCQJZFNQJ-ZDUSSCGKSA-N 1 2 371.393 2.946 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)Cc1ccccc1S(N)(=O)=O ZINC000292870685 511751928 /nfs/dbraw/zinc/75/19/28/511751928.db2.gz XFOCYEQHYWOHRA-ZDUSSCGKSA-N 1 2 363.439 2.744 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)Cc1ccccc1S(N)(=O)=O ZINC000292870685 511751932 /nfs/dbraw/zinc/75/19/32/511751932.db2.gz XFOCYEQHYWOHRA-ZDUSSCGKSA-N 1 2 363.439 2.744 20 5 FFBDLO COC[C@@]1(C)CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000296551551 511793213 /nfs/dbraw/zinc/79/32/13/511793213.db2.gz BXLOWMBWIIODFL-BZNIZROVSA-N 1 2 355.822 2.934 20 5 FFBDLO COC[C@@]1(C)CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000296551551 511793221 /nfs/dbraw/zinc/79/32/21/511793221.db2.gz BXLOWMBWIIODFL-BZNIZROVSA-N 1 2 355.822 2.934 20 5 FFBDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000366104003 511841557 /nfs/dbraw/zinc/84/15/57/511841557.db2.gz BLOJKELFAYOJKC-CYBMUJFWSA-N 1 2 355.398 2.549 20 5 FFBDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000366104003 511841561 /nfs/dbraw/zinc/84/15/61/511841561.db2.gz BLOJKELFAYOJKC-CYBMUJFWSA-N 1 2 355.398 2.549 20 5 FFBDLO COc1cc(Cc2noc(C[N@H+](C)[C@H]3CCSC3)n2)ccc1[N+](=O)[O-] ZINC000350608335 511853669 /nfs/dbraw/zinc/85/36/69/511853669.db2.gz RNCKHIHOURXIBD-LBPRGKRZSA-N 1 2 364.427 2.515 20 5 FFBDLO COc1cc(Cc2noc(C[N@@H+](C)[C@H]3CCSC3)n2)ccc1[N+](=O)[O-] ZINC000350608335 511853675 /nfs/dbraw/zinc/85/36/75/511853675.db2.gz RNCKHIHOURXIBD-LBPRGKRZSA-N 1 2 364.427 2.515 20 5 FFBDLO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1F ZINC000377788578 512449963 /nfs/dbraw/zinc/44/99/63/512449963.db2.gz XARXYDBYFIGKBS-UHFFFAOYSA-N 1 2 370.340 2.864 20 5 FFBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC=C(c3ccnn3C)CC2)cccc1[N+](=O)[O-] ZINC000375686303 512455355 /nfs/dbraw/zinc/45/53/55/512455355.db2.gz BLZLAUCXIOGGKD-CQSZACIVSA-N 1 2 369.425 2.753 20 5 FFBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC=C(c3ccnn3C)CC2)cccc1[N+](=O)[O-] ZINC000375686303 512455361 /nfs/dbraw/zinc/45/53/61/512455361.db2.gz BLZLAUCXIOGGKD-CQSZACIVSA-N 1 2 369.425 2.753 20 5 FFBDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000367561898 512559416 /nfs/dbraw/zinc/55/94/16/512559416.db2.gz DPCCSEMGJPQGMN-SFHVURJKSA-N 1 2 374.441 2.788 20 5 FFBDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000367561898 512559422 /nfs/dbraw/zinc/55/94/22/512559422.db2.gz DPCCSEMGJPQGMN-SFHVURJKSA-N 1 2 374.441 2.788 20 5 FFBDLO Cc1cc(N[C@@H]2CCO[C@@]3(CCOC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000378414910 512747843 /nfs/dbraw/zinc/74/78/43/512747843.db2.gz LAWYUUDPIDVQKW-BEFAXECRSA-N 1 2 370.409 2.532 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000389068293 512899565 /nfs/dbraw/zinc/89/95/65/512899565.db2.gz VPOVXIAJLGEZOJ-QGZVFWFLSA-N 1 2 357.410 2.916 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000389068293 512899571 /nfs/dbraw/zinc/89/95/71/512899571.db2.gz VPOVXIAJLGEZOJ-QGZVFWFLSA-N 1 2 357.410 2.916 20 5 FFBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000368463747 512960501 /nfs/dbraw/zinc/96/05/01/512960501.db2.gz XSBVCEFLHIVYMS-UHFFFAOYSA-N 1 2 362.817 2.982 20 5 FFBDLO CC(C)Oc1cc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000412211899 512998707 /nfs/dbraw/zinc/99/87/07/512998707.db2.gz UUZLBKAUYDNRQB-HNNXBMFYSA-N 1 2 370.409 2.786 20 5 FFBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000372874457 513084910 /nfs/dbraw/zinc/08/49/10/513084910.db2.gz ZYDUHADWFPQGSS-UHFFFAOYSA-N 1 2 371.441 2.978 20 5 FFBDLO C[C@H]1N(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCC12CCOCC2 ZINC000450592813 513265254 /nfs/dbraw/zinc/26/52/54/513265254.db2.gz POPGZOULLIYCNL-CQSZACIVSA-N 1 2 370.409 2.812 20 5 FFBDLO CC[C@@H](C)[C@@H](CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])OC ZINC000450625412 513278276 /nfs/dbraw/zinc/27/82/76/513278276.db2.gz UGIXWDVPNOTREL-RDTXWAMCSA-N 1 2 351.447 2.900 20 5 FFBDLO O=C(C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1c[nH]c2ccccc12 ZINC000440493994 513333587 /nfs/dbraw/zinc/33/35/87/513333587.db2.gz ZGSTYRNUWFNKGA-ZDUSSCGKSA-N 1 2 365.393 2.840 20 5 FFBDLO O=C(C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1c[nH]c2ccccc12 ZINC000440493994 513333588 /nfs/dbraw/zinc/33/35/88/513333588.db2.gz ZGSTYRNUWFNKGA-ZDUSSCGKSA-N 1 2 365.393 2.840 20 5 FFBDLO CCS(=O)(=O)C1CC[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000446846646 513350147 /nfs/dbraw/zinc/35/01/47/513350147.db2.gz CHLGXEQOOVGDGO-KAMYIIQDSA-N 1 2 352.456 2.897 20 5 FFBDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000429361878 513351837 /nfs/dbraw/zinc/35/18/37/513351837.db2.gz LDJRVCOKKLLTTH-GASCZTMLSA-N 1 2 363.458 2.941 20 5 FFBDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000429361878 513351845 /nfs/dbraw/zinc/35/18/45/513351845.db2.gz LDJRVCOKKLLTTH-GASCZTMLSA-N 1 2 363.458 2.941 20 5 FFBDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)[NH+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000429400634 513366649 /nfs/dbraw/zinc/36/66/49/513366649.db2.gz YOOJOMHSWLAGKB-HUUCEWRRSA-N 1 2 363.458 2.941 20 5 FFBDLO COc1cc(CCNC(=O)Nc2ccc(C)[nH+]c2C)c([N+](=O)[O-])cc1OC ZINC000447191314 513413975 /nfs/dbraw/zinc/41/39/75/513413975.db2.gz GPQXRRLMWBCWHQ-UHFFFAOYSA-N 1 2 374.397 2.988 20 5 FFBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC000416024611 513545116 /nfs/dbraw/zinc/54/51/16/513545116.db2.gz HERYLXNLMKUCFC-UHFFFAOYSA-N 1 2 369.849 2.739 20 5 FFBDLO O=C1CCCN1[C@H]1CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425426160 513560320 /nfs/dbraw/zinc/56/03/20/513560320.db2.gz VLIQPXBWRANSPB-ZDUSSCGKSA-N 1 2 368.231 2.554 20 5 FFBDLO O=C1CCCN1[C@H]1CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425426160 513560325 /nfs/dbraw/zinc/56/03/25/513560325.db2.gz VLIQPXBWRANSPB-ZDUSSCGKSA-N 1 2 368.231 2.554 20 5 FFBDLO CC(C)OCCCN(C)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447802842 513572998 /nfs/dbraw/zinc/57/29/98/513572998.db2.gz NXCHZIHPDZUSFK-UHFFFAOYSA-N 1 2 351.447 2.678 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCc1cn2ccccc2n1 ZINC000447815946 513580031 /nfs/dbraw/zinc/58/00/31/513580031.db2.gz HZIRBRYVJXPPDL-UHFFFAOYSA-N 1 2 367.409 2.687 20 5 FFBDLO COc1cccc(C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)c1[N+](=O)[O-] ZINC000435737090 513672206 /nfs/dbraw/zinc/67/22/06/513672206.db2.gz DLKIDQCKUOQTQS-UHFFFAOYSA-N 1 2 372.303 2.634 20 5 FFBDLO CC(C)C[C@]1(CO)CCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451323582 513676938 /nfs/dbraw/zinc/67/69/38/513676938.db2.gz VKCILMVXQWSEJL-IBGZPJMESA-N 1 2 372.425 2.794 20 5 FFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(O)(C(F)F)CC1 ZINC000426261921 513888853 /nfs/dbraw/zinc/88/88/53/513888853.db2.gz UDIJMCKFJXAPKD-JTQLQIEISA-N 1 2 368.340 2.798 20 5 FFBDLO O=C(C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000451695456 513916043 /nfs/dbraw/zinc/91/60/43/513916043.db2.gz NLGHIKMQUZEHGO-YRGRVCCFSA-N 1 2 367.833 2.670 20 5 FFBDLO O=C(C[N@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000451695456 513916053 /nfs/dbraw/zinc/91/60/53/513916053.db2.gz NLGHIKMQUZEHGO-YRGRVCCFSA-N 1 2 367.833 2.670 20 5 FFBDLO C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@@H+]1Cc1ccccc1 ZINC000436748823 513966363 /nfs/dbraw/zinc/96/63/63/513966363.db2.gz HMFSDDWQJCCOQK-SUMWQHHRSA-N 1 2 355.394 2.693 20 5 FFBDLO C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@H+]1Cc1ccccc1 ZINC000436748823 513966370 /nfs/dbraw/zinc/96/63/70/513966370.db2.gz HMFSDDWQJCCOQK-SUMWQHHRSA-N 1 2 355.394 2.693 20 5 FFBDLO CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@H]1[C@H]1CCCO1 ZINC000451818420 514001332 /nfs/dbraw/zinc/00/13/32/514001332.db2.gz PJOLBOSSFONOGS-SJORKVTESA-N 1 2 370.409 2.810 20 5 FFBDLO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)cc1F ZINC000436870601 514016997 /nfs/dbraw/zinc/01/69/97/514016997.db2.gz QLHHHYPYOLUWMF-UHFFFAOYSA-N 1 2 370.340 2.864 20 5 FFBDLO O=[N+]([O-])c1cc(I)cc(C[N@H+](C2CC2)C2COC2)c1 ZINC000449352505 514177297 /nfs/dbraw/zinc/17/72/97/514177297.db2.gz WNFSGZDNRMJBAS-UHFFFAOYSA-N 1 2 374.178 2.563 20 5 FFBDLO O=[N+]([O-])c1cc(I)cc(C[N@@H+](C2CC2)C2COC2)c1 ZINC000449352505 514177300 /nfs/dbraw/zinc/17/73/00/514177300.db2.gz WNFSGZDNRMJBAS-UHFFFAOYSA-N 1 2 374.178 2.563 20 5 FFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCOC[C@@H](O)C2)ccc1Oc1ccc(F)cc1 ZINC000449417234 514202996 /nfs/dbraw/zinc/20/29/96/514202996.db2.gz XECCUDBZECBSBA-HNNXBMFYSA-N 1 2 362.357 2.719 20 5 FFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCOC[C@@H](O)C2)ccc1Oc1ccc(F)cc1 ZINC000449417234 514203007 /nfs/dbraw/zinc/20/30/07/514203007.db2.gz XECCUDBZECBSBA-HNNXBMFYSA-N 1 2 362.357 2.719 20 5 FFBDLO Cn1cc(Cl)c(CN[C@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000449472473 514223373 /nfs/dbraw/zinc/22/33/73/514223373.db2.gz AIOFNNHESXNYAC-HNNXBMFYSA-N 1 2 360.805 2.594 20 5 FFBDLO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000444534280 514249708 /nfs/dbraw/zinc/24/97/08/514249708.db2.gz HJLIYZLZOPJVHV-UHFFFAOYSA-N 1 2 366.381 2.780 20 5 FFBDLO C[NH+](C)CCc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000438249626 514338085 /nfs/dbraw/zinc/33/80/85/514338085.db2.gz WLCINQSQNYKNLC-UHFFFAOYSA-N 1 2 355.441 2.561 20 5 FFBDLO Cc1noc(C)c1C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449908179 514419088 /nfs/dbraw/zinc/41/90/88/514419088.db2.gz SGKTYIHXGMCXJW-LLVKDONJSA-N 1 2 369.381 2.746 20 5 FFBDLO O=C(C[N@H+]1CCC[C@H](CCO)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000421009123 514435776 /nfs/dbraw/zinc/43/57/76/514435776.db2.gz DZSZBKSRMIPKHK-LBPRGKRZSA-N 1 2 355.822 2.671 20 5 FFBDLO O=C(C[N@@H+]1CCC[C@H](CCO)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000421009123 514435785 /nfs/dbraw/zinc/43/57/85/514435785.db2.gz DZSZBKSRMIPKHK-LBPRGKRZSA-N 1 2 355.822 2.671 20 5 FFBDLO CC1(C)[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@H]2CCCO[C@@H]21 ZINC000449944840 514435731 /nfs/dbraw/zinc/43/57/31/514435731.db2.gz LASJEZPGDLBVOH-XYPHTWIQSA-N 1 2 370.409 2.714 20 5 FFBDLO CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCS1 ZINC000449991589 514456503 /nfs/dbraw/zinc/45/65/03/514456503.db2.gz VIMCRDHGFYBFTL-MRXNPFEDSA-N 1 2 360.439 2.994 20 5 FFBDLO CCc1[nH+]c2ccccc2n1Cc1noc(-c2ccc([N+](=O)[O-])n2C)n1 ZINC000445384073 514472944 /nfs/dbraw/zinc/47/29/44/514472944.db2.gz KRDOUFIKPBJMKV-UHFFFAOYSA-N 1 2 352.354 2.944 20 5 FFBDLO Cc1[nH+]c2ccccc2n1CCc1noc(-c2ccc([N+](=O)[O-])n2C)n1 ZINC000445387866 514473987 /nfs/dbraw/zinc/47/39/87/514473987.db2.gz XXJLUUPNBWNYBA-UHFFFAOYSA-N 1 2 352.354 2.884 20 5 FFBDLO CCC(CC)(CC(=O)OC)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450102271 514497942 /nfs/dbraw/zinc/49/79/42/514497942.db2.gz QJUXBZALDGGTBZ-UHFFFAOYSA-N 1 2 374.397 2.632 20 5 FFBDLO CC(C)CO[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450113630 514500372 /nfs/dbraw/zinc/50/03/72/514500372.db2.gz LOSMDRKWULAHKL-OAHLLOKOSA-N 1 2 358.398 2.668 20 5 FFBDLO O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCn2c[nH+]cc2C1 ZINC000461205287 514539542 /nfs/dbraw/zinc/53/95/42/514539542.db2.gz XCVSYDRXJRYTHT-UHFFFAOYSA-N 1 2 362.364 2.673 20 5 FFBDLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000475380618 514640296 /nfs/dbraw/zinc/64/02/96/514640296.db2.gz MZYXZFZQHXWNOQ-UHFFFAOYSA-N 1 2 351.366 2.510 20 5 FFBDLO O=C(NCc1c[nH+]c[nH]1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000479605065 514653117 /nfs/dbraw/zinc/65/31/17/514653117.db2.gz MMQMNGIJUSSAJS-UHFFFAOYSA-N 1 2 351.366 2.860 20 5 FFBDLO O=C(NCc1c[nH]c[nH+]1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000479605065 514653127 /nfs/dbraw/zinc/65/31/27/514653127.db2.gz MMQMNGIJUSSAJS-UHFFFAOYSA-N 1 2 351.366 2.860 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000470956363 514691643 /nfs/dbraw/zinc/69/16/43/514691643.db2.gz SAFVMOAOOVBUKF-ONGXEEELSA-N 1 2 361.320 2.815 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000470956363 514691651 /nfs/dbraw/zinc/69/16/51/514691651.db2.gz SAFVMOAOOVBUKF-ONGXEEELSA-N 1 2 361.320 2.815 20 5 FFBDLO COc1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c(Cl)c1 ZINC000453578082 514696917 /nfs/dbraw/zinc/69/69/17/514696917.db2.gz PSPUAIMDPKQBID-UHFFFAOYSA-N 1 2 362.817 2.974 20 5 FFBDLO CCOc1cc(C[N@@H+]2CCN(CC)[C@H](c3ncc[nH]3)C2)ccc1[N+](=O)[O-] ZINC000471061656 514735036 /nfs/dbraw/zinc/73/50/36/514735036.db2.gz HVJUKGVGSBPWNP-INIZCTEOSA-N 1 2 359.430 2.595 20 5 FFBDLO CCOc1cc(C[N@H+]2CCN(CC)[C@H](c3ncc[nH]3)C2)ccc1[N+](=O)[O-] ZINC000471061656 514735047 /nfs/dbraw/zinc/73/50/47/514735047.db2.gz HVJUKGVGSBPWNP-INIZCTEOSA-N 1 2 359.430 2.595 20 5 FFBDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@@H](C)C1 ZINC000508318571 514740106 /nfs/dbraw/zinc/74/01/06/514740106.db2.gz MNOCZXDVKJDFOR-AWEZNQCLSA-N 1 2 373.409 2.933 20 5 FFBDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@@H](C)C1 ZINC000508318571 514740114 /nfs/dbraw/zinc/74/01/14/514740114.db2.gz MNOCZXDVKJDFOR-AWEZNQCLSA-N 1 2 373.409 2.933 20 5 FFBDLO Cc1cc2[nH+]cn(C[C@H](O)Cn3cc([N+](=O)[O-])c(C4CC4)n3)c2cc1C ZINC000489345363 514807243 /nfs/dbraw/zinc/80/72/43/514807243.db2.gz OLNSTOUCNWGTQY-AWEZNQCLSA-N 1 2 355.398 2.696 20 5 FFBDLO CCN1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000480686172 515044268 /nfs/dbraw/zinc/04/42/68/515044268.db2.gz CLSJQVMBPFXKEB-MRXNPFEDSA-N 1 2 352.398 2.749 20 5 FFBDLO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2[nH+]ccn2CC)cc1OC ZINC000456394733 515154508 /nfs/dbraw/zinc/15/45/08/515154508.db2.gz RBGNJSXWFBPMLA-LLVKDONJSA-N 1 2 362.386 2.710 20 5 FFBDLO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000481724743 515440029 /nfs/dbraw/zinc/44/00/29/515440029.db2.gz NRNXKBMHWNUPED-KBPBESRZSA-N 1 2 356.806 2.791 20 5 FFBDLO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000481724743 515440041 /nfs/dbraw/zinc/44/00/41/515440041.db2.gz NRNXKBMHWNUPED-KBPBESRZSA-N 1 2 356.806 2.791 20 5 FFBDLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000493463146 515633942 /nfs/dbraw/zinc/63/39/42/515633942.db2.gz SKVUJFNDPAMBGR-VIFPVBQESA-N 1 2 354.288 2.624 20 5 FFBDLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000493463146 515633953 /nfs/dbraw/zinc/63/39/53/515633953.db2.gz SKVUJFNDPAMBGR-VIFPVBQESA-N 1 2 354.288 2.624 20 5 FFBDLO CCc1nn(C)c(N2CCc3c([nH+]cn3-c3ccc(C)cc3)C2)c1[N+](=O)[O-] ZINC000486791131 515635000 /nfs/dbraw/zinc/63/50/00/515635000.db2.gz PAZASAZNXLNEJC-UHFFFAOYSA-N 1 2 366.425 2.948 20 5 FFBDLO O=C(NC[C@H](CO)CC1CCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000500254694 515645771 /nfs/dbraw/zinc/64/57/71/515645771.db2.gz ABKLDPJMYBTJNZ-OAHLLOKOSA-N 1 2 372.425 2.699 20 5 FFBDLO Cc1cccc(C[NH+]2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)c1 ZINC000469202910 515720601 /nfs/dbraw/zinc/72/06/01/515720601.db2.gz VKQSQRTVATZXCZ-UHFFFAOYSA-N 1 2 355.394 2.567 20 5 FFBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000473884369 515789336 /nfs/dbraw/zinc/78/93/36/515789336.db2.gz HUUSKUBWPUIMFV-NWDGAFQWSA-N 1 2 366.805 2.665 20 5 FFBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000457304475 515795199 /nfs/dbraw/zinc/79/51/99/515795199.db2.gz CYWXJYYLRZVUOY-UHFFFAOYSA-N 1 2 350.400 2.764 20 5 FFBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1ccc(Cl)cc1-n1cncn1)CC2 ZINC000482825177 515814803 /nfs/dbraw/zinc/81/48/03/515814803.db2.gz VXSGNNMJCYSBRP-UHFFFAOYSA-N 1 2 370.800 2.782 20 5 FFBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1ccc(Cl)cc1-n1cncn1)CC2 ZINC000482825177 515814807 /nfs/dbraw/zinc/81/48/07/515814807.db2.gz VXSGNNMJCYSBRP-UHFFFAOYSA-N 1 2 370.800 2.782 20 5 FFBDLO COC(=O)c1cc(N2CC[NH+](Cc3ccco3)CC2)cc(C)c1[N+](=O)[O-] ZINC000474785890 516194815 /nfs/dbraw/zinc/19/48/15/516194815.db2.gz VZAKTVOJOICJGM-UHFFFAOYSA-N 1 2 359.382 2.605 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](CC(=O)NCc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000561333972 516527269 /nfs/dbraw/zinc/52/72/69/516527269.db2.gz SJGSNHUTAPJUIW-LLVKDONJSA-N 1 2 356.304 2.681 20 5 FFBDLO CC[N@H+](CC(=O)N1CCCCCC1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000513218406 516528958 /nfs/dbraw/zinc/52/89/58/516528958.db2.gz MDCXGXZOFMZBRR-UHFFFAOYSA-N 1 2 367.421 2.967 20 5 FFBDLO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000513218406 516528968 /nfs/dbraw/zinc/52/89/68/516528968.db2.gz MDCXGXZOFMZBRR-UHFFFAOYSA-N 1 2 367.421 2.967 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C)c1c(F)cncc1F ZINC000513271018 516549916 /nfs/dbraw/zinc/54/99/16/516549916.db2.gz IOGXQGCHQHBAPN-JTQLQIEISA-N 1 2 350.325 2.866 20 5 FFBDLO C[C@@H](CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)n1cc[nH+]c1 ZINC000518193109 516573356 /nfs/dbraw/zinc/57/33/56/516573356.db2.gz UXRQOPNSNBMNKQ-AWEZNQCLSA-N 1 2 358.398 2.812 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](c3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000518393259 516642336 /nfs/dbraw/zinc/64/23/36/516642336.db2.gz BOYLYUNIKJQDQT-HNNXBMFYSA-N 1 2 370.409 2.817 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](c3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000518393259 516642339 /nfs/dbraw/zinc/64/23/39/516642339.db2.gz BOYLYUNIKJQDQT-HNNXBMFYSA-N 1 2 370.409 2.817 20 5 FFBDLO CNc1c(C(=O)Nc2ccc3[nH]c(N(C)C)[nH+]c3c2)cccc1[N+](=O)[O-] ZINC000559050620 517058226 /nfs/dbraw/zinc/05/82/26/517058226.db2.gz KRHFGNXGIRORJH-UHFFFAOYSA-N 1 2 354.370 2.831 20 5 FFBDLO C[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)[N@@H+]1CCc2sccc2C1 ZINC000541880185 517271134 /nfs/dbraw/zinc/27/11/34/517271134.db2.gz LVWARZPLZCPYKD-LLVKDONJSA-N 1 2 361.423 2.539 20 5 FFBDLO C[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)[N@H+]1CCc2sccc2C1 ZINC000541880185 517271141 /nfs/dbraw/zinc/27/11/41/517271141.db2.gz LVWARZPLZCPYKD-LLVKDONJSA-N 1 2 361.423 2.539 20 5 FFBDLO Cc1ccc(CCNc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)c[nH+]1 ZINC000515311573 517293754 /nfs/dbraw/zinc/29/37/54/517293754.db2.gz OFFSJLSJMQEQFH-UHFFFAOYSA-N 1 2 360.389 2.929 20 5 FFBDLO C[C@H]1COc2ccccc2C[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000542013694 517337758 /nfs/dbraw/zinc/33/77/58/517337758.db2.gz KDPHQZOHEPKNJW-AWEZNQCLSA-N 1 2 355.394 2.841 20 5 FFBDLO C[C@H]1COc2ccccc2C[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000542013694 517337768 /nfs/dbraw/zinc/33/77/68/517337768.db2.gz KDPHQZOHEPKNJW-AWEZNQCLSA-N 1 2 355.394 2.841 20 5 FFBDLO Cc1cc(C[C@@H](C)[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000520439421 517392771 /nfs/dbraw/zinc/39/27/71/517392771.db2.gz UVUDXQXYXGFWSQ-PXAZEXFGSA-N 1 2 354.414 2.670 20 5 FFBDLO COc1ccc(CC(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)cc1[N+](=O)[O-] ZINC000542197577 517432593 /nfs/dbraw/zinc/43/25/93/517432593.db2.gz VDOILIYMNCCOFS-UHFFFAOYSA-N 1 2 366.377 2.852 20 5 FFBDLO Cc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c4ncccc34)CC2)on1 ZINC000553060595 517502849 /nfs/dbraw/zinc/50/28/49/517502849.db2.gz DZNBOVWTMPTXGQ-UHFFFAOYSA-N 1 2 353.382 2.762 20 5 FFBDLO Cc1cc(Br)cc2c1C[N@H+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000538223423 517512506 /nfs/dbraw/zinc/51/25/06/517512506.db2.gz NKRWAXJBDNSHPZ-UHFFFAOYSA-N 1 2 365.231 2.921 20 5 FFBDLO Cc1cc(Br)cc2c1C[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000538223423 517512518 /nfs/dbraw/zinc/51/25/18/517512518.db2.gz NKRWAXJBDNSHPZ-UHFFFAOYSA-N 1 2 365.231 2.921 20 5 FFBDLO Cc1cc(NC[C@@H](C)[NH+]2CCN(C)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549486626 517587319 /nfs/dbraw/zinc/58/73/19/517587319.db2.gz BDMNBYDTKINOAX-GFCCVEGCSA-N 1 2 360.380 2.970 20 5 FFBDLO C[NH+](C)[C@H](CNc1ncnc2cccc([N+](=O)[O-])c21)c1c(F)cccc1F ZINC000542507185 517601207 /nfs/dbraw/zinc/60/12/07/517601207.db2.gz JZKOJMGRTHOLIL-OAHLLOKOSA-N 1 2 373.363 2.953 20 5 FFBDLO CC(C)NS(=O)(=O)c1cccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC000553331420 517649255 /nfs/dbraw/zinc/64/92/55/517649255.db2.gz HSHGRAXGGSUBBW-UHFFFAOYSA-N 1 2 369.468 2.633 20 5 FFBDLO O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000556860140 517713278 /nfs/dbraw/zinc/71/32/78/517713278.db2.gz ZOEHLBQPQOMFFK-SHTZXODSSA-N 1 2 370.409 2.908 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@H](CO)c3cccc(F)c3)n2)cc1 ZINC000542881057 517793499 /nfs/dbraw/zinc/79/34/99/517793499.db2.gz LLIVUGRPHLFZDW-OAHLLOKOSA-N 1 2 358.329 2.607 20 5 FFBDLO Cc1ccc(Cc2noc(Cc3cc4c(cc3[N+](=O)[O-])OCCO4)n2)c[nH+]1 ZINC000547048307 517968800 /nfs/dbraw/zinc/96/88/00/517968800.db2.gz NDHUGQVUITWAKU-UHFFFAOYSA-N 1 2 368.349 2.634 20 5 FFBDLO CCc1cc(NC[C@](C)(O)C(F)(F)F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000534828691 518050313 /nfs/dbraw/zinc/05/03/13/518050313.db2.gz IOTORYIQGDRJSM-HNNXBMFYSA-N 1 2 370.331 2.761 20 5 FFBDLO CCc1ccc(S(=O)(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000563707665 518082954 /nfs/dbraw/zinc/08/29/54/518082954.db2.gz MXWOPCYCXDMFSS-AWEZNQCLSA-N 1 2 364.427 2.796 20 5 FFBDLO Cc1cc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)cc2)ccc1[N+](=O)[O-] ZINC000522440322 518107216 /nfs/dbraw/zinc/10/72/16/518107216.db2.gz IZUWPZNANONXML-UHFFFAOYSA-N 1 2 358.379 2.890 20 5 FFBDLO C[NH+]1CCN(CCCCNc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000539771392 518157941 /nfs/dbraw/zinc/15/79/41/518157941.db2.gz WMQRKHSAJPMIDG-UHFFFAOYSA-N 1 2 371.279 2.797 20 5 FFBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000535366248 518176731 /nfs/dbraw/zinc/17/67/31/518176731.db2.gz IQRYTOIICYVTFZ-UHFFFAOYSA-N 1 2 365.393 2.822 20 5 FFBDLO CC1(C)CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCS1 ZINC000584509733 518374401 /nfs/dbraw/zinc/37/44/01/518374401.db2.gz XLQRVQSGUXNSDQ-UHFFFAOYSA-N 1 2 351.472 2.759 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000564352496 518413352 /nfs/dbraw/zinc/41/33/52/518413352.db2.gz SVNOWVRVVGVZDU-UHFFFAOYSA-N 1 2 355.385 2.919 20 5 FFBDLO CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1(CO)CCC1 ZINC000584664855 518420806 /nfs/dbraw/zinc/42/08/06/518420806.db2.gz SFCJCJLOXRMMSB-QGZVFWFLSA-N 1 2 372.425 2.698 20 5 FFBDLO CC(C)OC[C@@H](CO)[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000579041677 518492733 /nfs/dbraw/zinc/49/27/33/518492733.db2.gz UAWLJWQVFQYUQI-MRXNPFEDSA-N 1 2 365.455 2.936 20 5 FFBDLO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000579041677 518492740 /nfs/dbraw/zinc/49/27/40/518492740.db2.gz UAWLJWQVFQYUQI-MRXNPFEDSA-N 1 2 365.455 2.936 20 5 FFBDLO Cc1[nH+]c2ccccc2n1CCc1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000579525137 518720186 /nfs/dbraw/zinc/72/01/86/518720186.db2.gz GYAYEZDOPMDPFN-UHFFFAOYSA-N 1 2 364.365 2.864 20 5 FFBDLO CCC[C@H](C)C(=O)NCC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000579620105 518769449 /nfs/dbraw/zinc/76/94/49/518769449.db2.gz SKHAPOPUVHAPOT-YOEHRIQHSA-N 1 2 373.457 2.560 20 5 FFBDLO CC(C)[C@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1[nH]cc[nH+]1 ZINC000579810610 518864642 /nfs/dbraw/zinc/86/46/42/518864642.db2.gz YSUSQQMWDQQWES-HNNXBMFYSA-N 1 2 354.370 2.631 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[C@H](c2cccnc2)C1 ZINC000568387523 519016497 /nfs/dbraw/zinc/01/64/97/519016497.db2.gz HFKWWVNZNWHKJX-SFHVURJKSA-N 1 2 368.437 2.816 20 5 FFBDLO C[C@H]1CCCN(c2ccc(C(=O)N3CCc4[nH]c[nH+]c4C3)cc2[N+](=O)[O-])C1 ZINC000590378128 519210268 /nfs/dbraw/zinc/21/02/68/519210268.db2.gz FAEQDNKWESWVPO-ZDUSSCGKSA-N 1 2 369.425 2.753 20 5 FFBDLO C[C@H]1CCCN(c2ccc(C(=O)N3CCc4[nH+]c[nH]c4C3)cc2[N+](=O)[O-])C1 ZINC000590378128 519210274 /nfs/dbraw/zinc/21/02/74/519210274.db2.gz FAEQDNKWESWVPO-ZDUSSCGKSA-N 1 2 369.425 2.753 20 5 FFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000583534630 519297174 /nfs/dbraw/zinc/29/71/74/519297174.db2.gz WRDAVJKCPLMWQZ-KBRIMQKVSA-N 1 2 359.426 2.955 20 5 FFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000583534630 519297179 /nfs/dbraw/zinc/29/71/79/519297179.db2.gz WRDAVJKCPLMWQZ-KBRIMQKVSA-N 1 2 359.426 2.955 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+](C)Cc2ccc(C)cn2)c([N+](=O)[O-])c1 ZINC000590754368 519350600 /nfs/dbraw/zinc/35/06/00/519350600.db2.gz ASLVNZSIMMBTAN-UHFFFAOYSA-N 1 2 358.398 2.767 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(C)cn2)c([N+](=O)[O-])c1 ZINC000590754368 519350604 /nfs/dbraw/zinc/35/06/04/519350604.db2.gz ASLVNZSIMMBTAN-UHFFFAOYSA-N 1 2 358.398 2.767 20 5 FFBDLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590775037 519362005 /nfs/dbraw/zinc/36/20/05/519362005.db2.gz OJPNPBJGIBERJE-HZPDHXFCSA-N 1 2 354.410 2.760 20 5 FFBDLO O=c1[nH]c(CC[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)nc2ccccc21 ZINC000578266705 519503916 /nfs/dbraw/zinc/50/39/16/519503916.db2.gz ZWUNYNSNZCFEAS-UHFFFAOYSA-N 1 2 366.377 2.681 20 5 FFBDLO O=c1[nH]c(CC[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)nc2ccccc21 ZINC000578266705 519503920 /nfs/dbraw/zinc/50/39/20/519503920.db2.gz ZWUNYNSNZCFEAS-UHFFFAOYSA-N 1 2 366.377 2.681 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCOCC(F)(F)C(F)F)CCO2 ZINC000569396017 519528756 /nfs/dbraw/zinc/52/87/56/519528756.db2.gz UXLPDVDQMZGTTR-UHFFFAOYSA-N 1 2 352.284 2.706 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCOCC(F)(F)C(F)F)CCO2 ZINC000569396017 519528761 /nfs/dbraw/zinc/52/87/61/519528761.db2.gz UXLPDVDQMZGTTR-UHFFFAOYSA-N 1 2 352.284 2.706 20 5 FFBDLO C[C@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000594508754 520009197 /nfs/dbraw/zinc/00/91/97/520009197.db2.gz BXYDYPBXSTWJEN-CZUORRHYSA-N 1 2 374.441 2.985 20 5 FFBDLO Cc1cnc(C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)nc1 ZINC000592132245 520207760 /nfs/dbraw/zinc/20/77/60/520207760.db2.gz DRSWFDODIUHWSW-QAQDUYKDSA-N 1 2 356.426 2.999 20 5 FFBDLO Cc1cnc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)nc1 ZINC000592132245 520207765 /nfs/dbraw/zinc/20/77/65/520207765.db2.gz DRSWFDODIUHWSW-QAQDUYKDSA-N 1 2 356.426 2.999 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000609441277 520312625 /nfs/dbraw/zinc/31/26/25/520312625.db2.gz DAJRDUMVKVFZBX-MRXNPFEDSA-N 1 2 354.341 2.987 20 5 FFBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000613230771 520400327 /nfs/dbraw/zinc/40/03/27/520400327.db2.gz FOJQQQQXDJFEJH-OAHLLOKOSA-N 1 2 355.394 2.848 20 5 FFBDLO Cc1nc([C@@H]2CCCC[N@@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)no1 ZINC000603904531 520401188 /nfs/dbraw/zinc/40/11/88/520401188.db2.gz UFEIIJGYYTUCDC-HNNXBMFYSA-N 1 2 359.386 2.842 20 5 FFBDLO Cc1nc([C@@H]2CCCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)no1 ZINC000603904531 520401196 /nfs/dbraw/zinc/40/11/96/520401196.db2.gz UFEIIJGYYTUCDC-HNNXBMFYSA-N 1 2 359.386 2.842 20 5 FFBDLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595364446 520431260 /nfs/dbraw/zinc/43/12/60/520431260.db2.gz QNXNMOMPTOGRHJ-NSHDSACASA-N 1 2 367.402 2.574 20 5 FFBDLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595364446 520431269 /nfs/dbraw/zinc/43/12/69/520431269.db2.gz QNXNMOMPTOGRHJ-NSHDSACASA-N 1 2 367.402 2.574 20 5 FFBDLO CS(=O)(=O)C[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000595418248 520458371 /nfs/dbraw/zinc/45/83/71/520458371.db2.gz FIGXSMXDFXDCLO-OAHLLOKOSA-N 1 2 352.387 2.609 20 5 FFBDLO Cn1c2cccc(Cl)c2[nH+]c1NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000613349177 520458798 /nfs/dbraw/zinc/45/87/98/520458798.db2.gz KTXLPBKCFWQBRB-UHFFFAOYSA-N 1 2 374.784 2.940 20 5 FFBDLO CCOC(=O)c1ccnc(NCc2[nH+]ccn2CC(F)(F)F)c1[N+](=O)[O-] ZINC000609963457 520491374 /nfs/dbraw/zinc/49/13/74/520491374.db2.gz NCIQOKRYFCYEDV-UHFFFAOYSA-N 1 2 373.291 2.537 20 5 FFBDLO C[C@@]1(CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1(F)F ZINC000598214938 520500299 /nfs/dbraw/zinc/50/02/99/520500299.db2.gz IRTVWILZDSSUHH-OAHLLOKOSA-N 1 2 350.325 2.946 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000595499285 520510488 /nfs/dbraw/zinc/51/04/88/520510488.db2.gz DWLTWVJHMMWUIJ-AWEZNQCLSA-N 1 2 370.409 2.817 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000595499285 520510493 /nfs/dbraw/zinc/51/04/93/520510493.db2.gz DWLTWVJHMMWUIJ-AWEZNQCLSA-N 1 2 370.409 2.817 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)c1 ZINC000610221030 520587846 /nfs/dbraw/zinc/58/78/46/520587846.db2.gz YSEWUQBPYJTEKN-UHFFFAOYSA-N 1 2 369.421 2.740 20 5 FFBDLO C[C@H]1CN(c2ccc(CNc3ncc(F)cc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000601104993 520637732 /nfs/dbraw/zinc/63/77/32/520637732.db2.gz PRAAIQQNSXLPGC-RYUDHWBXSA-N 1 2 361.377 2.750 20 5 FFBDLO O=[N+]([O-])c1ccsc1NCc1ccc(C[NH+]2CCS(=O)CC2)cc1 ZINC000601178731 520673883 /nfs/dbraw/zinc/67/38/83/520673883.db2.gz YCQUPIWCOWOHQM-UHFFFAOYSA-N 1 2 365.480 2.833 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595746191 520693623 /nfs/dbraw/zinc/69/36/23/520693623.db2.gz YEUPDYXQWXRJOX-BQVMBELUSA-N 1 2 355.822 2.524 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595746191 520693628 /nfs/dbraw/zinc/69/36/28/520693628.db2.gz YEUPDYXQWXRJOX-BQVMBELUSA-N 1 2 355.822 2.524 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](CCO)c2ccccc2F)c1 ZINC000593035887 520697748 /nfs/dbraw/zinc/69/77/48/520697748.db2.gz UVBOZULUOMSAKK-INIZCTEOSA-N 1 2 362.357 2.734 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000595760308 520705086 /nfs/dbraw/zinc/70/50/86/520705086.db2.gz SWTFRYPZCZFHRN-GDLVEWKHSA-N 1 2 353.806 2.544 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000595760308 520705098 /nfs/dbraw/zinc/70/50/98/520705098.db2.gz SWTFRYPZCZFHRN-GDLVEWKHSA-N 1 2 353.806 2.544 20 5 FFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595822303 520746596 /nfs/dbraw/zinc/74/65/96/520746596.db2.gz PZIUPMLYWDFPOJ-ZDUSSCGKSA-N 1 2 359.426 2.813 20 5 FFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595822303 520746607 /nfs/dbraw/zinc/74/66/07/520746607.db2.gz PZIUPMLYWDFPOJ-ZDUSSCGKSA-N 1 2 359.426 2.813 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601374766 520762507 /nfs/dbraw/zinc/76/25/07/520762507.db2.gz KIEBNODULSYQGT-CQSZACIVSA-N 1 2 354.410 2.766 20 5 FFBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC(F)(F)c1ccc(F)cc1 ZINC000596064781 520890451 /nfs/dbraw/zinc/89/04/51/520890451.db2.gz JYBITTWXPJEYOK-AWEZNQCLSA-N 1 2 370.327 2.855 20 5 FFBDLO COc1ccc(CNc2nc(C)[nH+]c(C)c2Br)cc1[N+](=O)[O-] ZINC000596085580 520902754 /nfs/dbraw/zinc/90/27/54/520902754.db2.gz YDIBDBLOLHUOPI-UHFFFAOYSA-N 1 2 367.203 2.807 20 5 FFBDLO C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596108940 520918007 /nfs/dbraw/zinc/91/80/07/520918007.db2.gz YZJWHMPUMURVTG-NSHDSACASA-N 1 2 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NC(=O)C1([NH2+]Cc2c(Br)cccc2[N+](=O)[O-])CCCCC1 ZINC000930018702 739049037 /nfs/dbraw/zinc/04/90/37/739049037.db2.gz RBOMODXUTNEIIR-UHFFFAOYSA-N 1 2 356.220 2.635 20 5 FFBDLO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000790643250 739479349 /nfs/dbraw/zinc/47/93/49/739479349.db2.gz KSXDGDJSIOBTIU-LBPRGKRZSA-N 1 2 366.780 2.990 20 5 FFBDLO C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H](C)N1CC(F)(F)F ZINC000934797707 739845388 /nfs/dbraw/zinc/84/53/88/739845388.db2.gz WXKABKRLZFMSMO-BETUJISGSA-N 1 2 361.364 2.931 20 5 FFBDLO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H](C)N1CC(F)(F)F ZINC000934797707 739845395 /nfs/dbraw/zinc/84/53/95/739845395.db2.gz WXKABKRLZFMSMO-BETUJISGSA-N 1 2 361.364 2.931 20 5 FFBDLO C[N@@H+](Cc1nc(-c2cccs2)no1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796106158 740103382 /nfs/dbraw/zinc/10/33/82/740103382.db2.gz VMQPYKAOZDDTMC-ZDUSSCGKSA-N 1 2 360.395 2.872 20 5 FFBDLO C[N@H+](Cc1nc(-c2cccs2)no1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796106158 740103386 /nfs/dbraw/zinc/10/33/86/740103386.db2.gz VMQPYKAOZDDTMC-ZDUSSCGKSA-N 1 2 360.395 2.872 20 5 FFBDLO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCc3c[nH+]ccc32)cc1Cl ZINC000798226564 740314751 /nfs/dbraw/zinc/31/47/51/740314751.db2.gz BPGYXWPNBQOGHA-UHFFFAOYSA-N 1 2 357.750 2.534 20 5 FFBDLO CC[N@@H+]1CCO[C@H](C(=O)OCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000811134869 741486020 /nfs/dbraw/zinc/48/60/20/741486020.db2.gz DNOLYORSOBFBPL-LBPRGKRZSA-N 1 2 363.197 2.666 20 5 FFBDLO CC[N@H+]1CCO[C@H](C(=O)OCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000811134869 741486022 /nfs/dbraw/zinc/48/60/22/741486022.db2.gz DNOLYORSOBFBPL-LBPRGKRZSA-N 1 2 363.197 2.666 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000817278529 742116577 /nfs/dbraw/zinc/11/65/77/742116577.db2.gz XEJZSRZAYBZXNP-UTUOFQBUSA-N 1 2 355.822 2.526 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000817278529 742116580 /nfs/dbraw/zinc/11/65/80/742116580.db2.gz XEJZSRZAYBZXNP-UTUOFQBUSA-N 1 2 355.822 2.526 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H]2CSC[C@H]2C1 ZINC000827181379 743527259 /nfs/dbraw/zinc/52/72/59/743527259.db2.gz MFFJPHJSWACPAF-UONOGXRCSA-N 1 2 358.423 2.606 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCNC(=O)OC(C)(C)C ZINC000835078732 745946785 /nfs/dbraw/zinc/94/67/85/745946785.db2.gz XNIKLIISOLRSQQ-UHFFFAOYSA-N 1 2 353.419 2.950 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCNC(=O)OC(C)(C)C ZINC000835078732 745946789 /nfs/dbraw/zinc/94/67/89/745946789.db2.gz XNIKLIISOLRSQQ-UHFFFAOYSA-N 1 2 353.419 2.950 20 5 FFBDLO O=C(OCCOCC(F)(F)F)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835150895 745959765 /nfs/dbraw/zinc/95/97/65/745959765.db2.gz MSJQQZRQOPNBDF-UHFFFAOYSA-N 1 2 359.260 2.516 20 5 FFBDLO COCCO[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839573884 746859723 /nfs/dbraw/zinc/85/97/23/746859723.db2.gz HQDWGKWPRWNYFR-LBPRGKRZSA-N 1 2 359.220 2.595 20 5 FFBDLO COCCO[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839573884 746859727 /nfs/dbraw/zinc/85/97/27/746859727.db2.gz HQDWGKWPRWNYFR-LBPRGKRZSA-N 1 2 359.220 2.595 20 5 FFBDLO O=[N+]([O-])c1nn(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1Br ZINC000840117283 747008343 /nfs/dbraw/zinc/00/83/43/747008343.db2.gz UIHBAUZCUUZJGW-CYZMBNFOSA-N 1 2 373.251 2.527 20 5 FFBDLO O=[N+]([O-])c1nn(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1Br ZINC000840117283 747008348 /nfs/dbraw/zinc/00/83/48/747008348.db2.gz UIHBAUZCUUZJGW-CYZMBNFOSA-N 1 2 373.251 2.527 20 5 FFBDLO CC(C)(C)OC(=O)C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000844411155 748024758 /nfs/dbraw/zinc/02/47/58/748024758.db2.gz UTWASTRKWZGTCG-INIZCTEOSA-N 1 2 350.415 2.682 20 5 FFBDLO CC(C)(C)OC(=O)C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000844411155 748024766 /nfs/dbraw/zinc/02/47/66/748024766.db2.gz UTWASTRKWZGTCG-INIZCTEOSA-N 1 2 350.415 2.682 20 5 FFBDLO C[C@H](CC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)n1cc[nH+]c1 ZINC000845279778 748218564 /nfs/dbraw/zinc/21/85/64/748218564.db2.gz OTKQZFWJPQDMQN-SNVBAGLBSA-N 1 2 366.761 2.578 20 5 FFBDLO C[C@H]([C@@H](OC(=O)C[N@H+](C)[C@H]1CCSC1)c1ccccc1F)[N+](=O)[O-] ZINC000845875551 748341510 /nfs/dbraw/zinc/34/15/10/748341510.db2.gz LQAYOUWIPYLYEG-BFQNTYOBSA-N 1 2 356.419 2.513 20 5 FFBDLO C[C@H]([C@@H](OC(=O)C[N@@H+](C)[C@H]1CCSC1)c1ccccc1F)[N+](=O)[O-] ZINC000845875551 748341519 /nfs/dbraw/zinc/34/15/19/748341519.db2.gz LQAYOUWIPYLYEG-BFQNTYOBSA-N 1 2 356.419 2.513 20 5 FFBDLO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CCc2ccsc2C1 ZINC000848482950 748937715 /nfs/dbraw/zinc/93/77/15/748937715.db2.gz WFGISMBIYINXOF-MRXNPFEDSA-N 1 2 357.435 2.988 20 5 FFBDLO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@H+]1CCc2ccsc2C1 ZINC000848482950 748937719 /nfs/dbraw/zinc/93/77/19/748937719.db2.gz WFGISMBIYINXOF-MRXNPFEDSA-N 1 2 357.435 2.988 20 5 FFBDLO Cc1noc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000851847482 749702093 /nfs/dbraw/zinc/70/20/93/749702093.db2.gz FPOXUYVTTMFRTO-PWSUYJOCSA-N 1 2 354.407 2.626 20 5 FFBDLO Cc1noc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000851847482 749702098 /nfs/dbraw/zinc/70/20/98/749702098.db2.gz FPOXUYVTTMFRTO-PWSUYJOCSA-N 1 2 354.407 2.626 20 5 FFBDLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H]([C@H]2CCCO2)C1 ZINC000933189383 963691702 /nfs/dbraw/zinc/69/17/02/963691702.db2.gz ZHMPFYGDBQSVCH-OAUYIBNBSA-N 1 2 366.389 2.667 20 5 FFBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H]([C@H]2CCCO2)C1 ZINC000933189383 963691713 /nfs/dbraw/zinc/69/17/13/963691713.db2.gz ZHMPFYGDBQSVCH-OAUYIBNBSA-N 1 2 366.389 2.667 20 5 FFBDLO Cn1cc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c(C2CCCC2)n1 ZINC000894802258 965701623 /nfs/dbraw/zinc/70/16/23/965701623.db2.gz MLKQWSJXPRBZOZ-UHFFFAOYSA-N 1 2 370.457 2.703 20 5 FFBDLO Cc1nn(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)c(C)c1[N+](=O)[O-] ZINC000065943915 969169175 /nfs/dbraw/zinc/16/91/75/969169175.db2.gz UDLYBCQDMDRIMS-UHFFFAOYSA-N 1 2 363.462 2.527 20 5 FFBDLO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874887726 1013922717 /nfs/dbraw/zinc/92/27/17/1013922717.db2.gz DVIPLXMAEQERTR-INIZCTEOSA-N 1 2 361.348 2.589 20 5 FFBDLO COc1cc(C(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)cc([N+](=O)[O-])c1C ZINC000874891058 1013924615 /nfs/dbraw/zinc/92/46/15/1013924615.db2.gz GNETWFGFRBFJRF-MRXNPFEDSA-N 1 2 373.384 2.838 20 5 FFBDLO Cc1ccc(CNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000876172436 1014157911 /nfs/dbraw/zinc/15/79/11/1014157911.db2.gz VTJAJPYKWCGLTC-WMLDXEAASA-N 1 2 357.414 2.892 20 5 FFBDLO O=[N+]([O-])c1ccc(OC2C[NH+](C[C@H](O)CC[C@H](O)c3ccccc3)C2)cc1 ZINC000899882715 977379144 /nfs/dbraw/zinc/37/91/44/977379144.db2.gz BJXZQFDAFFELER-XLIONFOSSA-N 1 2 372.421 2.533 20 5 FFBDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000729341723 978247193 /nfs/dbraw/zinc/24/71/93/978247193.db2.gz LAMBNYHBEUMTHG-AWEZNQCLSA-N 1 2 361.358 2.544 20 5 FFBDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000729341719 978247416 /nfs/dbraw/zinc/24/74/16/978247416.db2.gz KYSMWIDADUWBEK-INIZCTEOSA-N 1 2 359.430 2.824 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2ccccc2)nc1N[C@@H]1CCC[N@@H+](C2COC2)C1 ZINC001168367897 979954008 /nfs/dbraw/zinc/95/40/08/979954008.db2.gz WNAAFVUTBLEYPX-OAHLLOKOSA-N 1 2 354.410 2.932 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2ccccc2)nc1N[C@@H]1CCC[N@H+](C2COC2)C1 ZINC001168367897 979954012 /nfs/dbraw/zinc/95/40/12/979954012.db2.gz WNAAFVUTBLEYPX-OAHLLOKOSA-N 1 2 354.410 2.932 20 5 FFBDLO O=[N+]([O-])c1c(N2CC[NH+](Cc3cccc(F)c3)CC2)nc2ccccn21 ZINC000765574251 985202623 /nfs/dbraw/zinc/20/26/23/985202623.db2.gz JBXDOMBSDIQXCI-UHFFFAOYSA-N 1 2 355.373 2.704 20 5 FFBDLO Cc1ccc(OCC[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000765636941 985259243 /nfs/dbraw/zinc/25/92/43/985259243.db2.gz YZZKBOJDRGWSPN-UHFFFAOYSA-N 1 2 369.421 2.740 20 5 FFBDLO O=[N+]([O-])c1cc(-c2nc(CC3CCOCC3)no2)ccc1-n1cc[nH+]c1 ZINC000761973282 988017147 /nfs/dbraw/zinc/01/71/47/988017147.db2.gz KCZIATOREOOCJH-UHFFFAOYSA-N 1 2 355.354 2.800 20 5 FFBDLO C[C@@H](NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000444186526 989690709 /nfs/dbraw/zinc/69/07/09/989690709.db2.gz IXUZKCUFQOMDAC-HIFRSBDPSA-N 1 2 357.414 2.979 20 5 FFBDLO Cc1nn(C[NH+]2CCC(CC(=O)NC3CCCC3)CC2)c(C)c1[N+](=O)[O-] ZINC000920087053 990790946 /nfs/dbraw/zinc/79/09/46/990790946.db2.gz STAMDNIIYRDFOZ-UHFFFAOYSA-N 1 2 363.462 2.527 20 5 FFBDLO C[C@@H](c1ccco1)[N@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000069069895 991575200 /nfs/dbraw/zinc/57/52/00/991575200.db2.gz YNZSKEXNQXXEJG-HNNXBMFYSA-N 1 2 372.425 2.529 20 5 FFBDLO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000069069895 991575209 /nfs/dbraw/zinc/57/52/09/991575209.db2.gz YNZSKEXNQXXEJG-HNNXBMFYSA-N 1 2 372.425 2.529 20 5 FFBDLO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cn2ccnc2s1 ZINC000813171825 995632487 /nfs/dbraw/zinc/63/24/87/995632487.db2.gz VGHLNHYJZFAHRB-AWEZNQCLSA-N 1 2 372.406 2.735 20 5 FFBDLO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cn2ccnc2s1 ZINC000813171825 995632492 /nfs/dbraw/zinc/63/24/92/995632492.db2.gz VGHLNHYJZFAHRB-AWEZNQCLSA-N 1 2 372.406 2.735 20 5 FFBDLO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[NH+](CCc2ccncc2)CC1 ZINC000825105732 997199125 /nfs/dbraw/zinc/19/91/25/997199125.db2.gz PNQZTUJITWIODS-UHFFFAOYSA-N 1 2 374.828 2.644 20 5 FFBDLO O=C1N(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000844750801 998117212 /nfs/dbraw/zinc/11/72/12/998117212.db2.gz NZYJOYVSNPBWHT-INIZCTEOSA-N 1 2 366.368 2.916 20 5 FFBDLO O=C1N(C[N@H+]2CCC[C@]3(CC3(F)F)C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000844750801 998117220 /nfs/dbraw/zinc/11/72/20/998117220.db2.gz NZYJOYVSNPBWHT-INIZCTEOSA-N 1 2 366.368 2.916 20 5 FFBDLO COC(=O)[C@@H](CC(C)C)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000735906292 999511989 /nfs/dbraw/zinc/51/19/89/999511989.db2.gz OBCAUZPKXPNPGG-OAHLLOKOSA-N 1 2 361.354 2.525 20 5 FFBDLO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000804324510 1000048076 /nfs/dbraw/zinc/04/80/76/1000048076.db2.gz HOIUBZMXAGNOAY-OAHLLOKOSA-N 1 2 372.381 2.816 20 5 FFBDLO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000804324510 1000048077 /nfs/dbraw/zinc/04/80/77/1000048077.db2.gz HOIUBZMXAGNOAY-OAHLLOKOSA-N 1 2 372.381 2.816 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)OCc2cc[nH+]c(N(C)C)c2)c1 ZINC000767482112 1000117707 /nfs/dbraw/zinc/11/77/07/1000117707.db2.gz KREWASQLFODHID-UHFFFAOYSA-N 1 2 359.382 2.877 20 5 FFBDLO O=C(OCc1cccc2[nH+]ccn21)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000770923429 1000954721 /nfs/dbraw/zinc/95/47/21/1000954721.db2.gz YZRPHNRVEUQSPG-UHFFFAOYSA-N 1 2 363.333 2.785 20 5 FFBDLO CCc1noc([C@@H](C)OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000785676134 1001466674 /nfs/dbraw/zinc/46/66/74/1001466674.db2.gz PZHRTRVWUKNRLO-SNVBAGLBSA-N 1 2 357.326 2.644 20 5 FFBDLO COc1c(O)ccc(C[NH2+][C@H](CCO)c2ccccc2F)c1[N+](=O)[O-] ZINC001182545606 1001955212 /nfs/dbraw/zinc/95/52/12/1001955212.db2.gz XNFXXLQKFDGCRB-CQSZACIVSA-N 1 2 350.346 2.661 20 5 FFBDLO CCOC(=O)C1([NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CCCC1 ZINC001170294751 1003087816 /nfs/dbraw/zinc/08/78/16/1003087816.db2.gz CHJTUMBWTOCJRE-ZDUSSCGKSA-N 1 2 350.415 3.000 20 5 FFBDLO CCOC(=O)c1cc([N+](=O)[O-])c(NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)cc1C ZINC001186990170 1003521446 /nfs/dbraw/zinc/52/14/46/1003521446.db2.gz SJYGMNGDLTUNBA-ZIAGYGMSSA-N 1 2 365.430 2.601 20 5 FFBDLO CCOC(=O)c1cc([N+](=O)[O-])c(NCC[N@H+]2C[C@@H](C)OC[C@H]2C)cc1C ZINC001186990170 1003521452 /nfs/dbraw/zinc/52/14/52/1003521452.db2.gz SJYGMNGDLTUNBA-ZIAGYGMSSA-N 1 2 365.430 2.601 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001196907336 1004010660 /nfs/dbraw/zinc/01/06/60/1004010660.db2.gz LKZAVCWLLBXSNU-QGZVFWFLSA-N 1 2 361.354 2.509 20 5 FFBDLO Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)Nc2ccccc2[N+](=O)[O-])no1 ZINC001197238418 1004135276 /nfs/dbraw/zinc/13/52/76/1004135276.db2.gz FFSHYUVIURSWGI-AGUYFDCRSA-N 1 2 371.397 2.635 20 5 FFBDLO Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)Nc2ccccc2[N+](=O)[O-])no1 ZINC001197238418 1004135279 /nfs/dbraw/zinc/13/52/79/1004135279.db2.gz FFSHYUVIURSWGI-AGUYFDCRSA-N 1 2 371.397 2.635 20 5 FFBDLO Cc1[nH]c([C@@H]2CCCN2S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[nH+]c1C ZINC001194803229 1004818360 /nfs/dbraw/zinc/81/83/60/1004818360.db2.gz VBXKWXXUTOKZRN-ZDUSSCGKSA-N 1 2 368.390 2.600 20 5 FFBDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000106856584 1005364543 /nfs/dbraw/zinc/36/45/43/1005364543.db2.gz IXEBDOKMQRROCJ-CYBMUJFWSA-N 1 2 361.402 2.501 20 5 FFBDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000106856584 1005364545 /nfs/dbraw/zinc/36/45/45/1005364545.db2.gz IXEBDOKMQRROCJ-CYBMUJFWSA-N 1 2 361.402 2.501 20 5 FFBDLO CN(c1ccccc1)[C@H]1CC[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000853584289 1006459239 /nfs/dbraw/zinc/45/92/39/1006459239.db2.gz HDVMDRNHYUJFHY-HNNXBMFYSA-N 1 2 368.393 2.671 20 5 FFBDLO CN(c1ccccc1)[C@H]1CC[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000853584289 1006459243 /nfs/dbraw/zinc/45/92/43/1006459243.db2.gz HDVMDRNHYUJFHY-HNNXBMFYSA-N 1 2 368.393 2.671 20 5 FFBDLO CCCCCNC(=O)[C@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000855084714 1007102803 /nfs/dbraw/zinc/10/28/03/1007102803.db2.gz BQTZFCGDTGEGNV-ZDUSSCGKSA-N 1 2 374.397 2.632 20 5 FFBDLO O=C(Cc1[nH]cc[nH+]1)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001135887584 1007559784 /nfs/dbraw/zinc/55/97/84/1007559784.db2.gz XHKMHFLMYOGJGR-UHFFFAOYSA-N 1 2 366.333 2.718 20 5 FFBDLO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC001136092993 1007855046 /nfs/dbraw/zinc/85/50/46/1007855046.db2.gz HEFWGXONLTVMDQ-UHFFFAOYSA-N 1 2 358.373 2.968 20 5 FFBDLO O=C1[C@@H]([NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCN1C1CCCCC1 ZINC000859055054 1008470084 /nfs/dbraw/zinc/47/00/84/1008470084.db2.gz FIXFGZXHNWPMOC-IBGZPJMESA-N 1 2 372.469 2.650 20 5 FFBDLO Cc1cc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)ccc1-n1cc[nH+]c1 ZINC001136624812 1008756152 /nfs/dbraw/zinc/75/61/52/1008756152.db2.gz KRRRTZBZOCXSHV-UHFFFAOYSA-N 1 2 354.370 2.659 20 5 FFBDLO COc1cc(C(=O)NCc2[nH+]cc(C)c(OC)c2C)c([N+](=O)[O-])cc1F ZINC000822888851 1008795810 /nfs/dbraw/zinc/79/58/10/1008795810.db2.gz ZXOBNQSJFHGOTQ-UHFFFAOYSA-N 1 2 363.345 2.693 20 5 FFBDLO CC[C@@H]1C[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C[C@]2(CCOC2)O1 ZINC000794704090 1010555076 /nfs/dbraw/zinc/55/50/76/1010555076.db2.gz MPABWSGZQCGUQS-MOPGFXCFSA-N 1 2 372.425 2.686 20 5 FFBDLO CC[C@@H]1C[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C[C@]2(CCOC2)O1 ZINC000794704090 1010555084 /nfs/dbraw/zinc/55/50/84/1010555084.db2.gz MPABWSGZQCGUQS-MOPGFXCFSA-N 1 2 372.425 2.686 20 5 FFBDLO C[C@]1(NC(=O)C(F)(F)F)CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000866282504 1010969675 /nfs/dbraw/zinc/96/96/75/1010969675.db2.gz LGCHOQFMXZKCMK-HNNXBMFYSA-N 1 2 368.315 2.790 20 5 FFBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001173226668 1012360636 /nfs/dbraw/zinc/36/06/36/1012360636.db2.gz NKLPTJVSRRTCIZ-GDLCADMTSA-N 1 2 350.312 2.863 20 5 FFBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001173226668 1012360654 /nfs/dbraw/zinc/36/06/54/1012360654.db2.gz NKLPTJVSRRTCIZ-GDLCADMTSA-N 1 2 350.312 2.863 20 5 FFBDLO COC(=O)[C@](C)(Cc1ccc(O)cc1)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173214622 1012370336 /nfs/dbraw/zinc/37/03/36/1012370336.db2.gz CYEPMRPLXIRWPJ-VLIAUNLRSA-N 1 2 372.421 2.995 20 5 FFBDLO COc1ccc(C[N@H+](CCO)Cc2ccc([N+](=O)[O-])c(F)c2)c(OC)c1 ZINC000801517750 1019064440 /nfs/dbraw/zinc/06/44/40/1019064440.db2.gz URHFYQBEBJNCDE-UHFFFAOYSA-N 1 2 364.373 2.746 20 5 FFBDLO COc1ccc(C[N@@H+](CCO)Cc2ccc([N+](=O)[O-])c(F)c2)c(OC)c1 ZINC000801517750 1019064462 /nfs/dbraw/zinc/06/44/62/1019064462.db2.gz URHFYQBEBJNCDE-UHFFFAOYSA-N 1 2 364.373 2.746 20 5 FFBDLO CCc1oc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1C(=O)OC ZINC000802637999 1020283133 /nfs/dbraw/zinc/28/31/33/1020283133.db2.gz YRNWKXRHKDWOGY-UHFFFAOYSA-N 1 2 373.409 2.859 20 5 FFBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000795644137 1027389504 /nfs/dbraw/zinc/38/95/04/1027389504.db2.gz IUAWZBUIGDXOMR-UHFFFAOYSA-N 1 2 372.337 2.543 20 5 FFBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000795644137 1027389522 /nfs/dbraw/zinc/38/95/22/1027389522.db2.gz IUAWZBUIGDXOMR-UHFFFAOYSA-N 1 2 372.337 2.543 20 5 FFBDLO COc1ccc(C(=O)CNc2ccc([N+](=O)[O-])c3c2CC[N@H+](C)C3)cc1 ZINC001161807046 1028320994 /nfs/dbraw/zinc/32/09/94/1028320994.db2.gz CLVIQOVCNZEVJX-UHFFFAOYSA-N 1 2 355.394 2.886 20 5 FFBDLO COc1ccc(C(=O)CNc2ccc([N+](=O)[O-])c3c2CC[N@@H+](C)C3)cc1 ZINC001161807046 1028321013 /nfs/dbraw/zinc/32/10/13/1028321013.db2.gz CLVIQOVCNZEVJX-UHFFFAOYSA-N 1 2 355.394 2.886 20 5 FFBDLO Nc1ccc(CNc2c3ccc(Br)cc3ncc2[N+](=O)[O-])c[nH+]1 ZINC001163076183 1028788225 /nfs/dbraw/zinc/78/82/25/1028788225.db2.gz KDLNTRJGQGXJGW-UHFFFAOYSA-N 1 2 374.198 2.917 20 5 FFBDLO CCc1nn(C)c(NC[C@H]2C[N@H+](Cc3cccc(C)c3)CCO2)c1[N+](=O)[O-] ZINC001163938772 1029120566 /nfs/dbraw/zinc/12/05/66/1029120566.db2.gz MVQFWJZEMGXLCT-INIZCTEOSA-N 1 2 373.457 2.512 20 5 FFBDLO CCc1nn(C)c(NC[C@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)c1[N+](=O)[O-] ZINC001163938772 1029120571 /nfs/dbraw/zinc/12/05/71/1029120571.db2.gz MVQFWJZEMGXLCT-INIZCTEOSA-N 1 2 373.457 2.512 20 5 FFBDLO COc1ccc(OCCO[NH+]=C(N)Cc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000783175663 1029947813 /nfs/dbraw/zinc/94/78/13/1029947813.db2.gz ZWOYPWHQVYQZTB-UHFFFAOYSA-N 1 2 363.345 2.862 20 5 FFBDLO Cc1c(C)c(N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)ncc1[N+](=O)[O-] ZINC001165691234 1030085346 /nfs/dbraw/zinc/08/53/46/1030085346.db2.gz QFSGUXIWMFWXLV-MRXNPFEDSA-N 1 2 371.441 2.866 20 5 FFBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CN1C[C@H](c2cncn2C)CC1=O ZINC000783977928 1030384720 /nfs/dbraw/zinc/38/47/20/1030384720.db2.gz MBMVQHMHLDDGOS-MRXNPFEDSA-N 1 2 371.441 2.512 20 5 FFBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)CN1C[C@H](c2cncn2C)CC1=O ZINC000783977928 1030384724 /nfs/dbraw/zinc/38/47/24/1030384724.db2.gz MBMVQHMHLDDGOS-MRXNPFEDSA-N 1 2 371.441 2.512 20 5 FFBDLO Cc1ccc([C@H]2CC[N@H+](CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C2)cc1 ZINC000784023693 1030423850 /nfs/dbraw/zinc/42/38/50/1030423850.db2.gz AVZAHZKUVVJZRU-HNNXBMFYSA-N 1 2 365.389 2.946 20 5 FFBDLO Cc1ccc([C@H]2CC[N@@H+](CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C2)cc1 ZINC000784023693 1030423853 /nfs/dbraw/zinc/42/38/53/1030423853.db2.gz AVZAHZKUVVJZRU-HNNXBMFYSA-N 1 2 365.389 2.946 20 5 FFBDLO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1nc2c(s1)CCC2 ZINC000842366413 1030691501 /nfs/dbraw/zinc/69/15/01/1030691501.db2.gz KPAABBSTOVMXPC-AWEZNQCLSA-N 1 2 373.434 2.971 20 5 FFBDLO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1nc2c(s1)CCC2 ZINC000842366413 1030691506 /nfs/dbraw/zinc/69/15/06/1030691506.db2.gz KPAABBSTOVMXPC-AWEZNQCLSA-N 1 2 373.434 2.971 20 5 FFBDLO Cc1nn(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000797416981 1031103156 /nfs/dbraw/zinc/10/31/56/1031103156.db2.gz LRRUGANIOMQGFT-CKFHNAJUSA-N 1 2 374.441 2.869 20 5 FFBDLO Cc1nn(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000797416981 1031103164 /nfs/dbraw/zinc/10/31/64/1031103164.db2.gz LRRUGANIOMQGFT-CKFHNAJUSA-N 1 2 374.441 2.869 20 5 FFBDLO O=C(Nc1ccn2cc[nH+]c2c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000798198176 1031335269 /nfs/dbraw/zinc/33/52/69/1031335269.db2.gz MNVFWLQDGQBBHW-UHFFFAOYSA-N 1 2 366.381 2.597 20 5 FFBDLO Nc1[nH+]ccc2c1CN(C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])CC2 ZINC001150702348 1031771290 /nfs/dbraw/zinc/77/12/90/1031771290.db2.gz WABDZNCBFAJHFP-UHFFFAOYSA-N 1 2 366.299 2.789 20 5 FFBDLO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cncnc1C1CC1 ZINC000835458892 1035777952 /nfs/dbraw/zinc/77/79/52/1035777952.db2.gz VRLVJLVZWBXYIJ-INIZCTEOSA-N 1 2 368.393 2.694 20 5 FFBDLO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cncnc1C1CC1 ZINC000835458892 1035777971 /nfs/dbraw/zinc/77/79/71/1035777971.db2.gz VRLVJLVZWBXYIJ-INIZCTEOSA-N 1 2 368.393 2.694 20 5 FFBDLO O=[N+]([O-])c1ccc(I)c(O[C@H]2C[NH+]3CCC2CC3)c1 ZINC001229836424 1036926523 /nfs/dbraw/zinc/92/65/23/1036926523.db2.gz UOEPAAPMCCEUIA-ZDUSSCGKSA-N 1 2 374.178 2.672 20 5 FFBDLO CCOC(=O)c1ccc2[nH+]ccc(Nc3cnc(OC)c([N+](=O)[O-])c3)c2c1 ZINC001210136065 1039400823 /nfs/dbraw/zinc/40/08/23/1039400823.db2.gz GFYQYDOTBBFBQD-UHFFFAOYSA-N 1 2 368.349 2.889 20 5 FFBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCn2c(COCC3CC3)nnc2C1 ZINC001254561445 1040798662 /nfs/dbraw/zinc/79/86/62/1040798662.db2.gz KXAVHVIKBVWPBV-CQSZACIVSA-N 1 2 371.441 2.560 20 5 FFBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCn2c(COCC3CC3)nnc2C1 ZINC001254561445 1040798674 /nfs/dbraw/zinc/79/86/74/1040798674.db2.gz KXAVHVIKBVWPBV-CQSZACIVSA-N 1 2 371.441 2.560 20 5 FFBDLO COC(=O)[C@H](CCc1ccccc1)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254578415 1040813154 /nfs/dbraw/zinc/81/31/54/1040813154.db2.gz KZMYZZPLBMCBAD-HKUYNNGSSA-N 1 2 354.406 2.826 20 5 FFBDLO COC(=O)[C@](C)(Cc1ccc(O)cc1)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580782 1040813810 /nfs/dbraw/zinc/81/38/10/1040813810.db2.gz FUBNUVFKOKFULU-JXFKEZNVSA-N 1 2 370.405 2.532 20 5 FFBDLO C[C@@H](C(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)n1cc[nH+]c1 ZINC001261364730 1041186392 /nfs/dbraw/zinc/18/63/92/1041186392.db2.gz TUGSMHISHZCHRE-QPUJVOFHSA-N 1 2 360.267 2.911 20 5 FFBDLO CC(C)(C)n1cc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)cn1 ZINC001538064438 1070333191 /nfs/dbraw/zinc/33/31/91/1070333191.db2.gz JQFDSSVBVCIDRB-UHFFFAOYSA-N 1 2 354.370 2.984 20 5 FFBDLO CCc1cnc(CCNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)s1 ZINC001265570634 1042867274 /nfs/dbraw/zinc/86/72/74/1042867274.db2.gz LGGOMIBFXHUWPB-UHFFFAOYSA-N 1 2 371.422 2.772 20 5 FFBDLO O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001321111392 1045549412 /nfs/dbraw/zinc/54/94/12/1045549412.db2.gz APENCTLIMIRFNL-SFHVURJKSA-N 1 2 366.377 2.566 20 5 FFBDLO Cc1nn(CCC(=O)Nc2ccc(-n3cc[nH+]c3)c(C)c2)c(C)c1[N+](=O)[O-] ZINC001292865494 1049421176 /nfs/dbraw/zinc/42/11/76/1049421176.db2.gz RDJOEDGVPXUHBS-UHFFFAOYSA-N 1 2 368.397 2.931 20 5 FFBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001303033361 1051260047 /nfs/dbraw/zinc/26/00/47/1051260047.db2.gz LUKMSALGPQIUDF-QGZVFWFLSA-N 1 2 351.366 2.545 20 5 FFBDLO O=C(NC1CC(Cl)(Cl)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001304042395 1051512445 /nfs/dbraw/zinc/51/24/45/1051512445.db2.gz HZZYSKGLHKASIC-UHFFFAOYSA-N 1 2 355.181 2.847 20 5 FFBDLO Cc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2cccnc2)c(N)c1[N+](=O)[O-] ZINC001304501221 1051626278 /nfs/dbraw/zinc/62/62/78/1051626278.db2.gz RVKSHOABUBSAHK-MRXNPFEDSA-N 1 2 369.425 2.874 20 5 FFBDLO Cc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)c(N)c1[N+](=O)[O-] ZINC001304501221 1051626283 /nfs/dbraw/zinc/62/62/83/1051626283.db2.gz RVKSHOABUBSAHK-MRXNPFEDSA-N 1 2 369.425 2.874 20 5 FFBDLO COc1cccc([C@H]2CN(C(=O)c3cccc(C)c3[N+](=O)[O-])CC[NH2+]2)c1 ZINC001347255257 1053764389 /nfs/dbraw/zinc/76/43/89/1053764389.db2.gz BMCLPYHLQBYRRK-QGZVFWFLSA-N 1 2 355.394 2.699 20 5 FFBDLO Cn1c[nH+]cc1C1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC001338517720 1055585567 /nfs/dbraw/zinc/58/55/67/1055585567.db2.gz IFCFZHQCUPNIJN-UHFFFAOYSA-N 1 2 360.389 2.806 20 5 FFBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001350165695 1055653903 /nfs/dbraw/zinc/65/39/03/1055653903.db2.gz XRLQOUDSRRXTPK-UHFFFAOYSA-N 1 2 358.398 2.747 20 5 FFBDLO Cc1ccc(CO)cc1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001545665575 1071829103 /nfs/dbraw/zinc/82/91/03/1071829103.db2.gz ZMSPEAPTCGIARN-UHFFFAOYSA-N 1 2 352.350 2.834 20 5 FFBDLO CNc1c(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)cccc1[N+](=O)[O-] ZINC001455894991 1059944766 /nfs/dbraw/zinc/94/47/66/1059944766.db2.gz JVGBZZKTNLIQHP-UHFFFAOYSA-N 1 2 355.398 2.748 20 5 FFBDLO CC1(C)C[NH+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)CC(C)(C)O1 ZINC000848485155 1060126735 /nfs/dbraw/zinc/12/67/35/1060126735.db2.gz KFPWNKRVRWZFPF-INIZCTEOSA-N 1 2 361.442 2.758 20 5 FFBDLO CCNc1cc(CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)cc[nH+]1 ZINC001458525211 1060613982 /nfs/dbraw/zinc/61/39/82/1060613982.db2.gz ITCQUPOYRFOULF-UHFFFAOYSA-N 1 2 355.398 2.926 20 5 FFBDLO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)c(Br)c1 ZINC001458594943 1060630747 /nfs/dbraw/zinc/63/07/47/1060630747.db2.gz VTJNIGSXEUNXNU-NEPJUHHUSA-N 1 2 373.276 2.744 20 5 FFBDLO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)c(Br)c1 ZINC001458594943 1060630756 /nfs/dbraw/zinc/63/07/56/1060630756.db2.gz VTJNIGSXEUNXNU-NEPJUHHUSA-N 1 2 373.276 2.744 20 5 FFBDLO COCc1csc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC001521768727 1061118343 /nfs/dbraw/zinc/11/83/43/1061118343.db2.gz AIZUXRHQNJOGAL-UHFFFAOYSA-N 1 2 359.367 2.636 20 5 FFBDLO C[C@H](Cc1ccccn1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001526817728 1061278081 /nfs/dbraw/zinc/27/80/81/1061278081.db2.gz RUHQDDOTGRTVEX-CYBMUJFWSA-N 1 2 351.366 2.537 20 5 FFBDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)[C@@H](C)CO1 ZINC001477223707 1061631946 /nfs/dbraw/zinc/63/19/46/1061631946.db2.gz PNTYPTYHIASSHH-UONOGXRCSA-N 1 2 372.425 2.979 20 5 FFBDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)[C@@H](C)CO1 ZINC001477223707 1061631955 /nfs/dbraw/zinc/63/19/55/1061631955.db2.gz PNTYPTYHIASSHH-UONOGXRCSA-N 1 2 372.425 2.979 20 5 FFBDLO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCc1ccccc1Cn1cc[nH+]c1 ZINC001527973227 1061700765 /nfs/dbraw/zinc/70/07/65/1061700765.db2.gz RYOFQOWKTZKJDP-UHFFFAOYSA-N 1 2 368.368 2.838 20 5 FFBDLO COc1ccccc1CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001529523523 1062332542 /nfs/dbraw/zinc/33/25/42/1062332542.db2.gz CUKAZOTXNSVALK-UHFFFAOYSA-N 1 2 366.377 2.762 20 5 FFBDLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001470553956 1064363186 /nfs/dbraw/zinc/36/31/86/1064363186.db2.gz DPPSBOPUJMILJD-GFCCVEGCSA-N 1 2 355.379 2.790 20 5 FFBDLO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001470633597 1064389742 /nfs/dbraw/zinc/38/97/42/1064389742.db2.gz KZKREGFGTYTBPF-INIZCTEOSA-N 1 2 374.828 2.833 20 5 FFBDLO CN(CCCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)c1cccc[nH+]1 ZINC001471494647 1064695446 /nfs/dbraw/zinc/69/54/46/1064695446.db2.gz NSBIYOXOLBPBQN-SJORKVTESA-N 1 2 354.410 2.736 20 5 FFBDLO CN(CCCNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)c1cccc[nH+]1 ZINC001471494646 1064695573 /nfs/dbraw/zinc/69/55/73/1064695573.db2.gz NSBIYOXOLBPBQN-IRXDYDNUSA-N 1 2 354.410 2.736 20 5 FFBDLO CN(C)c1ccc(Nc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])c[nH+]1 ZINC001472649351 1065120899 /nfs/dbraw/zinc/12/08/99/1065120899.db2.gz DBTBQZFXFHVASM-UHFFFAOYSA-N 1 2 354.326 2.678 20 5 FFBDLO CCc1cc(N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)nc(CC)[nH+]1 ZINC001472680073 1065126840 /nfs/dbraw/zinc/12/68/40/1065126840.db2.gz PVFDCPMDKONIJQ-UHFFFAOYSA-N 1 2 355.442 2.832 20 5 FFBDLO COc1cccc([C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c(F)cc3C)CC[NH2+]2)c1 ZINC001557821384 1075895198 /nfs/dbraw/zinc/89/51/98/1075895198.db2.gz LRNPAIRYZWTYRS-KRWDZBQOSA-N 1 2 373.384 2.838 20 5 FFBDLO Cc1[nH]c([C@@H]2CCCN2S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[nH+]c1C ZINC001561921589 1076445757 /nfs/dbraw/zinc/44/57/57/1076445757.db2.gz LMKGYGOCMHHHHM-AWEZNQCLSA-N 1 2 364.427 2.769 20 5 FFBDLO C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1c(F)cncc1F ZINC001568785644 1077112062 /nfs/dbraw/zinc/11/20/62/1077112062.db2.gz SKNGQWNGUZMYPQ-JTQLQIEISA-N 1 2 373.319 2.945 20 5 FFBDLO O=C1CCc2cc([N+](=O)[O-])c(NCc3ccnc(-n4cc[nH+]c4)c3)cc2N1 ZINC000359941799 223137750 /nfs/dbraw/zinc/13/77/50/223137750.db2.gz OMXDQXYOWCIHIG-UHFFFAOYSA-N 1 2 364.365 2.672 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccn2C)c([N+](=O)[O-])c1 ZINC000007853960 249309916 /nfs/dbraw/zinc/30/99/16/249309916.db2.gz CWMSSILQGWNHBM-INIZCTEOSA-N 1 2 358.398 2.718 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2cccn2C)c([N+](=O)[O-])c1 ZINC000007853960 249309918 /nfs/dbraw/zinc/30/99/18/249309918.db2.gz CWMSSILQGWNHBM-INIZCTEOSA-N 1 2 358.398 2.718 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CCN(Cc3c[nH+]c[nH]3)CC2)c(C(F)(F)F)c1 ZINC000093015337 250012019 /nfs/dbraw/zinc/01/20/19/250012019.db2.gz HLEYADUOUBARMW-UHFFFAOYSA-N 1 2 355.320 2.659 20 5 FFBDLO O=[N+]([O-])c1cc(C[N@H+](CCO)Cc2cccnc2)ccc1Br ZINC000093085845 250015837 /nfs/dbraw/zinc/01/58/37/250015837.db2.gz ZBRSRXNZJLDDLH-UHFFFAOYSA-N 1 2 366.215 2.747 20 5 FFBDLO O=[N+]([O-])c1cc(C[N@@H+](CCO)Cc2cccnc2)ccc1Br ZINC000093085845 250015839 /nfs/dbraw/zinc/01/58/39/250015839.db2.gz ZBRSRXNZJLDDLH-UHFFFAOYSA-N 1 2 366.215 2.747 20 5 FFBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000093460979 250037319 /nfs/dbraw/zinc/03/73/19/250037319.db2.gz SPMAEXQSKHGRTI-HWKANZROSA-N 1 2 353.304 2.734 20 5 FFBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000093460979 250037320 /nfs/dbraw/zinc/03/73/20/250037320.db2.gz SPMAEXQSKHGRTI-HWKANZROSA-N 1 2 353.304 2.734 20 5 FFBDLO COc1ccc(NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1[N+](=O)[O-] ZINC000272881924 252156007 /nfs/dbraw/zinc/15/60/07/252156007.db2.gz WZHJJUKUTHFWMA-UHFFFAOYSA-N 1 2 371.397 2.920 20 5 FFBDLO COc1cccc(C[N@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000272969544 252176926 /nfs/dbraw/zinc/17/69/26/252176926.db2.gz VGZJBNLNJSMCNJ-UHFFFAOYSA-N 1 2 364.423 2.509 20 5 FFBDLO COc1cccc(C[N@@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000272969544 252176929 /nfs/dbraw/zinc/17/69/29/252176929.db2.gz VGZJBNLNJSMCNJ-UHFFFAOYSA-N 1 2 364.423 2.509 20 5 FFBDLO Cc1nc(N2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)CC2)cc[nH+]1 ZINC000273537733 252326191 /nfs/dbraw/zinc/32/61/91/252326191.db2.gz VYSHHTZNSRBEJS-UHFFFAOYSA-N 1 2 350.382 2.568 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000276278134 256086165 /nfs/dbraw/zinc/08/61/65/256086165.db2.gz MTHVNLGISZSTOR-GOEBONIOSA-N 1 2 372.425 2.904 20 5 FFBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000278151648 256282410 /nfs/dbraw/zinc/28/24/10/256282410.db2.gz CLLBGGLIGDKXAS-UHFFFAOYSA-N 1 2 373.291 2.894 20 5 FFBDLO CCC[C@@]1(CO)CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000278206548 256287687 /nfs/dbraw/zinc/28/76/87/256287687.db2.gz SMLWXHGGNGDVHS-SFHVURJKSA-N 1 2 358.398 2.548 20 5 FFBDLO COc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc1[N+](=O)[O-] ZINC000278072564 256273463 /nfs/dbraw/zinc/27/34/63/256273463.db2.gz NLRWNMIOPKRZBV-IUODEOHRSA-N 1 2 360.370 2.579 20 5 FFBDLO COc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc1[N+](=O)[O-] ZINC000278072564 256273464 /nfs/dbraw/zinc/27/34/64/256273464.db2.gz NLRWNMIOPKRZBV-IUODEOHRSA-N 1 2 360.370 2.579 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](CC(F)(F)F)C2)cc1 ZINC000278582884 256327842 /nfs/dbraw/zinc/32/78/42/256327842.db2.gz CTFOXMSOMHJHRB-NSHDSACASA-N 1 2 366.361 2.643 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](CC(F)(F)F)C2)cc1 ZINC000278582884 256327843 /nfs/dbraw/zinc/32/78/43/256327843.db2.gz CTFOXMSOMHJHRB-NSHDSACASA-N 1 2 366.361 2.643 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cccc4c3OCCCO4)nc2c1 ZINC000278797644 256348621 /nfs/dbraw/zinc/34/86/21/256348621.db2.gz XHCKYKBZGQPIGR-UHFFFAOYSA-N 1 2 354.366 2.922 20 5 FFBDLO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279511989 256423996 /nfs/dbraw/zinc/42/39/96/256423996.db2.gz KTEGQFPKCLFRQO-UHFFFAOYSA-N 1 2 369.425 2.730 20 5 FFBDLO Cc1cc[nH+]c(C)c1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000287608322 257098593 /nfs/dbraw/zinc/09/85/93/257098593.db2.gz SPGHEJMJJPCNEU-UHFFFAOYSA-N 1 2 355.398 2.961 20 5 FFBDLO CC(C)OCc1nc([C@@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])no1 ZINC000289462777 257282625 /nfs/dbraw/zinc/28/26/25/257282625.db2.gz HCJWBLCAKGIAMP-GFCCVEGCSA-N 1 2 350.375 2.632 20 5 FFBDLO C[C@@H]1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000295173556 257619664 /nfs/dbraw/zinc/61/96/64/257619664.db2.gz RXTVDQNEGDORDG-PBHICJAKSA-N 1 2 370.409 2.864 20 5 FFBDLO COc1cc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])cc1F ZINC000295192882 257620716 /nfs/dbraw/zinc/62/07/16/257620716.db2.gz VDVWHLNLLOVEIG-NHYWBVRUSA-N 1 2 362.361 2.662 20 5 FFBDLO Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000296037372 257663083 /nfs/dbraw/zinc/66/30/83/257663083.db2.gz OSNMLCUVNXOCII-UHFFFAOYSA-N 1 2 372.473 2.880 20 5 FFBDLO CCOc1ccc(NC(=O)C[NH+]2CCC(C)(OCC)CC2)c([N+](=O)[O-])c1 ZINC000298321620 257903091 /nfs/dbraw/zinc/90/30/91/257903091.db2.gz QWJIPZLLPXZLHC-UHFFFAOYSA-N 1 2 365.430 2.823 20 5 FFBDLO C[C@@H](O)CNc1cc(NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nc[nH+]1 ZINC000298829455 257942926 /nfs/dbraw/zinc/94/29/26/257942926.db2.gz HKYOTSDPYGKOFZ-SECBINFHSA-N 1 2 371.319 2.808 20 5 FFBDLO C[C@@H](O)CNc1cc(NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[nH+]cn1 ZINC000298829455 257942927 /nfs/dbraw/zinc/94/29/27/257942927.db2.gz HKYOTSDPYGKOFZ-SECBINFHSA-N 1 2 371.319 2.808 20 5 FFBDLO Cc1cc(N[C@H]2CCN(C(C)C)C2=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301300880 258040901 /nfs/dbraw/zinc/04/09/01/258040901.db2.gz RCTYZYPIPHGHFL-HNNXBMFYSA-N 1 2 355.398 2.781 20 5 FFBDLO CNC(=O)c1ccc(NCCc2[nH+]c3ccc(F)cc3n2C)c([N+](=O)[O-])c1 ZINC000301358623 258045035 /nfs/dbraw/zinc/04/50/35/258045035.db2.gz NPFBARNSRGXMCR-UHFFFAOYSA-N 1 2 371.372 2.635 20 5 FFBDLO Cc1nc(N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c2c([nH+]1)CCCC2 ZINC000302104735 258087874 /nfs/dbraw/zinc/08/78/74/258087874.db2.gz RLMZPRXZYAZSEX-ZDUSSCGKSA-N 1 2 354.414 2.658 20 5 FFBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000302594500 258106717 /nfs/dbraw/zinc/10/67/17/258106717.db2.gz AWCQCQKMOZJQGZ-UHFFFAOYSA-N 1 2 372.406 2.796 20 5 FFBDLO COC(=O)c1cnc(NCCn2c(C)[nH+]c3ccccc32)c([N+](=O)[O-])c1 ZINC000302781271 258110441 /nfs/dbraw/zinc/11/04/41/258110441.db2.gz RZSGPTGZSCZOJC-UHFFFAOYSA-N 1 2 355.354 2.547 20 5 FFBDLO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000312707550 258115470 /nfs/dbraw/zinc/11/54/70/258115470.db2.gz SIYJHTMYANYJJE-INIZCTEOSA-N 1 2 369.421 2.942 20 5 FFBDLO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000312707550 258115471 /nfs/dbraw/zinc/11/54/71/258115471.db2.gz SIYJHTMYANYJJE-INIZCTEOSA-N 1 2 369.421 2.942 20 5 FFBDLO COc1cc(F)c([N+](=O)[O-])c(N2CCN(C3=[NH+]CC(C)(C)S3)CC2)c1 ZINC000301756362 258066420 /nfs/dbraw/zinc/06/64/20/258066420.db2.gz YBYAJWBUFMRWIT-UHFFFAOYSA-N 1 2 368.434 2.746 20 5 FFBDLO CS(=O)(=O)c1cccc(NCCc2[nH]c3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000301862669 258071807 /nfs/dbraw/zinc/07/18/07/258071807.db2.gz CQXJQCNYAYDGIQ-UHFFFAOYSA-N 1 2 360.395 2.529 20 5 FFBDLO CC(C)(C)CC[NH+]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000301896471 258073342 /nfs/dbraw/zinc/07/33/42/258073342.db2.gz QLUKLJIWJOGBRK-UHFFFAOYSA-N 1 2 369.487 2.557 20 5 FFBDLO O=C(NCCOc1cccc(F)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032247030 506236311 /nfs/dbraw/zinc/23/63/11/506236311.db2.gz UQYVWFVWANZFLX-UHFFFAOYSA-N 1 2 370.340 2.728 20 5 FFBDLO NC(=O)c1ccc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC000032509555 506261776 /nfs/dbraw/zinc/26/17/76/506261776.db2.gz WFELDKRGLZFPSM-UHFFFAOYSA-N 1 2 374.828 2.669 20 5 FFBDLO CN(C)c1[nH+]cccc1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000032686146 506277834 /nfs/dbraw/zinc/27/78/34/506277834.db2.gz GPVGCBCRGFLCJU-UHFFFAOYSA-N 1 2 355.398 2.560 20 5 FFBDLO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)[NH+]1CCN(c2ccccc2)CC1 ZINC000032723751 506284078 /nfs/dbraw/zinc/28/40/78/506284078.db2.gz XYPWMSLZYWCGTA-AWEZNQCLSA-N 1 2 374.466 2.597 20 5 FFBDLO C[C@@H](NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000375250198 512231949 /nfs/dbraw/zinc/23/19/49/512231949.db2.gz SXFYAGLTJZGRIJ-CKEIUWERSA-N 1 2 354.410 2.940 20 5 FFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000053472945 506387754 /nfs/dbraw/zinc/38/77/54/506387754.db2.gz VZGGBQTZNOEBMF-INIZCTEOSA-N 1 2 369.356 2.690 20 5 FFBDLO Cc1ccc2[nH+]c(CNC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)cn2c1 ZINC000065895455 506388266 /nfs/dbraw/zinc/38/82/66/506388266.db2.gz RGFDTENXTWVENY-UHFFFAOYSA-N 1 2 363.377 2.822 20 5 FFBDLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000007973562 506607154 /nfs/dbraw/zinc/60/71/54/506607154.db2.gz FHIDRVIRHJJKQH-UHFFFAOYSA-N 1 2 359.382 2.683 20 5 FFBDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000007973562 506607157 /nfs/dbraw/zinc/60/71/57/506607157.db2.gz FHIDRVIRHJJKQH-UHFFFAOYSA-N 1 2 359.382 2.683 20 5 FFBDLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000055695759 506827371 /nfs/dbraw/zinc/82/73/71/506827371.db2.gz BLSHIRIUDSPCCG-UHFFFAOYSA-N 1 2 367.321 2.619 20 5 FFBDLO NC(=O)[C@H](c1ccccc1)[NH+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000012819557 506905232 /nfs/dbraw/zinc/90/52/32/506905232.db2.gz WSEJSGGUJVMSJG-KRWDZBQOSA-N 1 2 374.828 2.597 20 5 FFBDLO CC1CCN(c2ccc(C(=O)NCCCn3cc[nH+]c3)cc2[N+](=O)[O-])CC1 ZINC000045162353 506926482 /nfs/dbraw/zinc/92/64/82/506926482.db2.gz SFHMNJJXOORLMC-UHFFFAOYSA-N 1 2 371.441 2.848 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000016443151 507088944 /nfs/dbraw/zinc/08/89/44/507088944.db2.gz JASGBNWDBTVVQG-ZDUSSCGKSA-N 1 2 355.394 2.989 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000016443151 507088949 /nfs/dbraw/zinc/08/89/49/507088949.db2.gz JASGBNWDBTVVQG-ZDUSSCGKSA-N 1 2 355.394 2.989 20 5 FFBDLO Cc1ncc(CN(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC000046770269 507190366 /nfs/dbraw/zinc/19/03/66/507190366.db2.gz LQJONURUQQTPNY-UHFFFAOYSA-N 1 2 357.395 2.818 20 5 FFBDLO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCCCCNc1cccc[nH+]1 ZINC000068422354 507225966 /nfs/dbraw/zinc/22/59/66/507225966.db2.gz YXARFRJSAABOFZ-UHFFFAOYSA-N 1 2 362.361 2.516 20 5 FFBDLO CCCc1n[nH]c(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)c1[N+](=O)[O-] ZINC000068478976 507244615 /nfs/dbraw/zinc/24/46/15/507244615.db2.gz PEUSWIQSTRZYJI-UHFFFAOYSA-N 1 2 371.441 2.537 20 5 FFBDLO CCCc1[nH]nc(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)c1[N+](=O)[O-] ZINC000068478976 507244621 /nfs/dbraw/zinc/24/46/21/507244621.db2.gz PEUSWIQSTRZYJI-UHFFFAOYSA-N 1 2 371.441 2.537 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057406201 507256517 /nfs/dbraw/zinc/25/65/17/507256517.db2.gz ZVKCFRWNBZADEQ-CQSZACIVSA-N 1 2 372.400 2.883 20 5 FFBDLO COc1ccc(C[N@H+](C)[C@@H]2CCN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000068821346 507332943 /nfs/dbraw/zinc/33/29/43/507332943.db2.gz AEXXMROEIXMORS-MRXNPFEDSA-N 1 2 355.394 2.841 20 5 FFBDLO COc1ccc(C[N@@H+](C)[C@@H]2CCN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000068821346 507332947 /nfs/dbraw/zinc/33/29/47/507332947.db2.gz AEXXMROEIXMORS-MRXNPFEDSA-N 1 2 355.394 2.841 20 5 FFBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000047494652 507346303 /nfs/dbraw/zinc/34/63/03/507346303.db2.gz UPKUTUSZLDMSMG-RWMBFGLXSA-N 1 2 367.471 2.544 20 5 FFBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000047494652 507346306 /nfs/dbraw/zinc/34/63/06/507346306.db2.gz UPKUTUSZLDMSMG-RWMBFGLXSA-N 1 2 367.471 2.544 20 5 FFBDLO COc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)cc1[N+](=O)[O-] ZINC000023773922 507373478 /nfs/dbraw/zinc/37/34/78/507373478.db2.gz YUCCUSSSRHPDJZ-KRWDZBQOSA-N 1 2 366.377 2.856 20 5 FFBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)c1 ZINC000047742882 507388070 /nfs/dbraw/zinc/38/80/70/507388070.db2.gz CIEMITLPUPFCNL-UHFFFAOYSA-N 1 2 365.393 2.967 20 5 FFBDLO CC(C)C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCOCC1 ZINC000026062927 507555698 /nfs/dbraw/zinc/55/56/98/507555698.db2.gz PPDPNHSADAECIT-CQSZACIVSA-N 1 2 369.849 2.725 20 5 FFBDLO COC(=O)c1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000026209015 507567654 /nfs/dbraw/zinc/56/76/54/507567654.db2.gz XAKVALWCAGUMSO-CYBMUJFWSA-N 1 2 371.393 2.840 20 5 FFBDLO COC(=O)c1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000026209015 507567662 /nfs/dbraw/zinc/56/76/62/507567662.db2.gz XAKVALWCAGUMSO-CYBMUJFWSA-N 1 2 371.393 2.840 20 5 FFBDLO COC(=O)c1ccc(C[N@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000026208065 507568728 /nfs/dbraw/zinc/56/87/28/507568728.db2.gz UOYRWRDPKOCBES-UHFFFAOYSA-N 1 2 371.393 2.760 20 5 FFBDLO COC(=O)c1ccc(C[N@@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000026208065 507568735 /nfs/dbraw/zinc/56/87/35/507568735.db2.gz UOYRWRDPKOCBES-UHFFFAOYSA-N 1 2 371.393 2.760 20 5 FFBDLO COC(=O)[C@H]1CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])[C@@H]1C ZINC000425443639 513570688 /nfs/dbraw/zinc/57/06/88/513570688.db2.gz LEERGSUMZXMALK-SKDRFNHKSA-N 1 2 357.204 2.741 20 5 FFBDLO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])[C@@H]1C ZINC000425443639 513570692 /nfs/dbraw/zinc/57/06/92/513570692.db2.gz LEERGSUMZXMALK-SKDRFNHKSA-N 1 2 357.204 2.741 20 5 FFBDLO NC(=O)c1ccc(C[NH2+][C@@H](c2ccccc2)c2ccccn2)c([N+](=O)[O-])c1 ZINC000027357206 507648804 /nfs/dbraw/zinc/64/88/04/507648804.db2.gz PSRSAHRKXMOCOD-IBGZPJMESA-N 1 2 362.389 2.968 20 5 FFBDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@@H]1c1ccc(F)cc1 ZINC000371364571 512354676 /nfs/dbraw/zinc/35/46/76/512354676.db2.gz OIDRZNDLRCGBMW-PBHICJAKSA-N 1 2 359.357 2.615 20 5 FFBDLO C[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@@H]1c1ccc(F)cc1 ZINC000371364571 512354682 /nfs/dbraw/zinc/35/46/82/512354682.db2.gz OIDRZNDLRCGBMW-PBHICJAKSA-N 1 2 359.357 2.615 20 5 FFBDLO NC(=O)c1ccc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)c([N+](=O)[O-])c1 ZINC000063254604 507706424 /nfs/dbraw/zinc/70/64/24/507706424.db2.gz OZCJQRXINKASLN-UHFFFAOYSA-N 1 2 355.329 2.631 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1cscn1 ZINC000063591363 507748506 /nfs/dbraw/zinc/74/85/06/507748506.db2.gz VAMVXJKPPILQTD-UHFFFAOYSA-N 1 2 350.400 2.521 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1cscn1 ZINC000063591363 507748510 /nfs/dbraw/zinc/74/85/10/507748510.db2.gz VAMVXJKPPILQTD-UHFFFAOYSA-N 1 2 350.400 2.521 20 5 FFBDLO CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000030910303 507814724 /nfs/dbraw/zinc/81/47/24/507814724.db2.gz XJZNPVWIGDNSKO-DLBZAZTESA-N 1 2 374.485 2.896 20 5 FFBDLO C[N@H+](CC(=O)NCCc1c(F)cccc1F)Cc1ccccc1[N+](=O)[O-] ZINC000052589794 507814946 /nfs/dbraw/zinc/81/49/46/507814946.db2.gz ZLTYAMLAKWIHRF-UHFFFAOYSA-N 1 2 363.364 2.664 20 5 FFBDLO C[N@@H+](CC(=O)NCCc1c(F)cccc1F)Cc1ccccc1[N+](=O)[O-] ZINC000052589794 507814947 /nfs/dbraw/zinc/81/49/47/507814947.db2.gz ZLTYAMLAKWIHRF-UHFFFAOYSA-N 1 2 363.364 2.664 20 5 FFBDLO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000078189458 507845176 /nfs/dbraw/zinc/84/51/76/507845176.db2.gz QDKPZIPSPYGYEF-CQSZACIVSA-N 1 2 367.833 2.575 20 5 FFBDLO C[NH+](C)[C@@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccs1 ZINC000078923436 507916562 /nfs/dbraw/zinc/91/65/62/507916562.db2.gz YHAFNWTXLIHQDW-ZDUSSCGKSA-N 1 2 359.411 2.565 20 5 FFBDLO Cc1cc(Nc2ccc([NH+]3CCC(C(N)=O)CC3)cc2)ncc1[N+](=O)[O-] ZINC000074745202 508051687 /nfs/dbraw/zinc/05/16/87/508051687.db2.gz TYTNUXYNYFSFIW-UHFFFAOYSA-N 1 2 355.398 2.744 20 5 FFBDLO COc1ccc(-c2ccc(C[N@@H+]3CCN(C4CC4)C(=O)C3)o2)c([N+](=O)[O-])c1 ZINC000093444686 508145612 /nfs/dbraw/zinc/14/56/12/508145612.db2.gz AOXCZYYXFNZJAY-UHFFFAOYSA-N 1 2 371.393 2.670 20 5 FFBDLO COc1ccc(-c2ccc(C[N@H+]3CCN(C4CC4)C(=O)C3)o2)c([N+](=O)[O-])c1 ZINC000093444686 508145616 /nfs/dbraw/zinc/14/56/16/508145616.db2.gz AOXCZYYXFNZJAY-UHFFFAOYSA-N 1 2 371.393 2.670 20 5 FFBDLO COCC1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000112353187 508178443 /nfs/dbraw/zinc/17/84/43/508178443.db2.gz LUQOPRGLJQQMKA-LLVKDONJSA-N 1 2 355.822 2.934 20 5 FFBDLO Cc1nn(C)c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1[N+](=O)[O-] ZINC000101821341 508258216 /nfs/dbraw/zinc/25/82/16/508258216.db2.gz XUCUONVUTQDKNY-UHFFFAOYSA-N 1 2 360.761 2.728 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+](CCO)Cc3ccccc3)n2)c1 ZINC000103140455 508298445 /nfs/dbraw/zinc/29/84/45/508298445.db2.gz KMGYDZUKJNSYKT-UHFFFAOYSA-N 1 2 354.366 2.639 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+](CCO)Cc3ccccc3)n2)c1 ZINC000103140455 508298447 /nfs/dbraw/zinc/29/84/47/508298447.db2.gz KMGYDZUKJNSYKT-UHFFFAOYSA-N 1 2 354.366 2.639 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2cc[nH+]c3ccncc32)CC1 ZINC000085687908 508315080 /nfs/dbraw/zinc/31/50/80/508315080.db2.gz KBTLYLFJSSYUDO-UHFFFAOYSA-N 1 2 363.377 2.500 20 5 FFBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000087364522 508349160 /nfs/dbraw/zinc/34/91/60/508349160.db2.gz YTHXCIVGQDMALH-INIZCTEOSA-N 1 2 368.437 2.828 20 5 FFBDLO C[NH+](C)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1c(F)cccc1F ZINC000115411044 508392009 /nfs/dbraw/zinc/39/20/09/508392009.db2.gz KBHNTHGQBQPDOV-INIZCTEOSA-N 1 2 363.364 2.835 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(NCc2cccc(OCC[NH+]3CCOCC3)c2)n1 ZINC000122254982 508506683 /nfs/dbraw/zinc/50/66/83/508506683.db2.gz YFZXMVBGJCYDRR-UHFFFAOYSA-N 1 2 372.425 2.621 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCOc2ccc(F)cc21 ZINC000122298198 508513918 /nfs/dbraw/zinc/51/39/18/508513918.db2.gz BFYUZDUHINRYDU-UHFFFAOYSA-N 1 2 368.324 2.959 20 5 FFBDLO C[N@@H+]1CCc2nc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)sc2C1 ZINC000157245327 508542173 /nfs/dbraw/zinc/54/21/73/508542173.db2.gz QRXKGDNCMLZJRJ-UHFFFAOYSA-N 1 2 371.422 2.702 20 5 FFBDLO C[N@H+]1CCc2nc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)sc2C1 ZINC000157245327 508542178 /nfs/dbraw/zinc/54/21/78/508542178.db2.gz QRXKGDNCMLZJRJ-UHFFFAOYSA-N 1 2 371.422 2.702 20 5 FFBDLO CC(=O)c1cccc(OC[C@@H](O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153095151 508547878 /nfs/dbraw/zinc/54/78/78/508547878.db2.gz RFDMQTUMEXPODI-KRWDZBQOSA-N 1 2 370.405 2.595 20 5 FFBDLO CC(=O)c1cccc(OC[C@@H](O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153095151 508547880 /nfs/dbraw/zinc/54/78/80/508547880.db2.gz RFDMQTUMEXPODI-KRWDZBQOSA-N 1 2 370.405 2.595 20 5 FFBDLO Cc1c(CC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)cccc1[N+](=O)[O-] ZINC000122663442 508569460 /nfs/dbraw/zinc/56/94/60/508569460.db2.gz WTUZATUQNJPWCR-UHFFFAOYSA-N 1 2 356.426 2.888 20 5 FFBDLO C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153350986 508574428 /nfs/dbraw/zinc/57/44/28/508574428.db2.gz LCVAKPTZUDOPAD-OAHLLOKOSA-N 1 2 365.433 2.926 20 5 FFBDLO C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153350986 508574431 /nfs/dbraw/zinc/57/44/31/508574431.db2.gz LCVAKPTZUDOPAD-OAHLLOKOSA-N 1 2 365.433 2.926 20 5 FFBDLO Cc1ccc(CNC(=O)[C@H](C)[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000153351215 508574737 /nfs/dbraw/zinc/57/47/37/508574737.db2.gz KRVULTOBXWCLIO-HNNXBMFYSA-N 1 2 353.422 2.966 20 5 FFBDLO Cc1ccc(CNC(=O)[C@H](C)[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000153351215 508574741 /nfs/dbraw/zinc/57/47/41/508574741.db2.gz KRVULTOBXWCLIO-HNNXBMFYSA-N 1 2 353.422 2.966 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000123004855 508620755 /nfs/dbraw/zinc/62/07/55/508620755.db2.gz RLNBOZWMUQBOQF-DOMZBBRYSA-N 1 2 359.386 2.915 20 5 FFBDLO Cc1c(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000123685359 508724800 /nfs/dbraw/zinc/72/48/00/508724800.db2.gz CRYFWALEWOHFPD-BDJLRTHQSA-N 1 2 373.369 2.731 20 5 FFBDLO CC[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000140469647 508805684 /nfs/dbraw/zinc/80/56/84/508805684.db2.gz FXXYBBBXQKBWTN-NSHDSACASA-N 1 2 353.176 2.962 20 5 FFBDLO C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131263091 508907516 /nfs/dbraw/zinc/90/75/16/508907516.db2.gz HVMJBPBZZKTHEF-ZDUSSCGKSA-N 1 2 371.462 2.988 20 5 FFBDLO C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131263091 508907521 /nfs/dbraw/zinc/90/75/21/508907521.db2.gz HVMJBPBZZKTHEF-ZDUSSCGKSA-N 1 2 371.462 2.988 20 5 FFBDLO O=C(N[C@H](CCO)c1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000150907639 508920302 /nfs/dbraw/zinc/92/03/02/508920302.db2.gz PNMPCSMGCKDUBZ-MRXNPFEDSA-N 1 2 366.377 2.634 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3noc(-c4ccsc4)n3)C2)nc1 ZINC000160890827 509044496 /nfs/dbraw/zinc/04/44/96/509044496.db2.gz PIZFFHCZAVODAM-LBPRGKRZSA-N 1 2 372.410 2.788 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3noc(-c4ccsc4)n3)C2)nc1 ZINC000160890827 509044500 /nfs/dbraw/zinc/04/45/00/509044500.db2.gz PIZFFHCZAVODAM-LBPRGKRZSA-N 1 2 372.410 2.788 20 5 FFBDLO CN(C)C(=O)C[N@H+](C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000162460319 509228875 /nfs/dbraw/zinc/22/88/75/509228875.db2.gz YBLYNCPXMGXXLX-UHFFFAOYSA-N 1 2 356.426 2.883 20 5 FFBDLO CN(C)C(=O)C[N@@H+](C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000162460319 509228882 /nfs/dbraw/zinc/22/88/82/509228882.db2.gz YBLYNCPXMGXXLX-UHFFFAOYSA-N 1 2 356.426 2.883 20 5 FFBDLO CCOC(=O)c1cc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc([N+](=O)[O-])c1 ZINC000263961648 509250882 /nfs/dbraw/zinc/25/08/82/509250882.db2.gz XWNIXHCFJWHJFH-LBPRGKRZSA-N 1 2 372.381 2.514 20 5 FFBDLO C[N@H+](CC(=O)[O-])[C@@H]1CCC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000192011163 509294118 /nfs/dbraw/zinc/29/41/18/509294118.db2.gz HUVITGCJOCJEKW-CQSZACIVSA-N 1 2 355.822 2.619 20 5 FFBDLO C[N@@H+](CC(=O)[O-])[C@@H]1CCC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000192011163 509294122 /nfs/dbraw/zinc/29/41/22/509294122.db2.gz HUVITGCJOCJEKW-CQSZACIVSA-N 1 2 355.822 2.619 20 5 FFBDLO C[NH+](CC(=O)[O-])[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000192011163 509294124 /nfs/dbraw/zinc/29/41/24/509294124.db2.gz HUVITGCJOCJEKW-CQSZACIVSA-N 1 2 355.822 2.619 20 5 FFBDLO C[NH+](CC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000192011163 509294127 /nfs/dbraw/zinc/29/41/27/509294127.db2.gz HUVITGCJOCJEKW-CQSZACIVSA-N 1 2 355.822 2.619 20 5 FFBDLO COc1cccc2c1CC[N@H+](CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)C2 ZINC000182686797 509371088 /nfs/dbraw/zinc/37/10/88/509371088.db2.gz KERBKZCCTDIYNL-UHFFFAOYSA-N 1 2 367.405 2.551 20 5 FFBDLO COc1cccc2c1CC[N@@H+](CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)C2 ZINC000182686797 509371100 /nfs/dbraw/zinc/37/11/00/509371100.db2.gz KERBKZCCTDIYNL-UHFFFAOYSA-N 1 2 367.405 2.551 20 5 FFBDLO COC(=O)CCn1nc(C)c(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1C ZINC000179315773 509371331 /nfs/dbraw/zinc/37/13/31/509371331.db2.gz HUJZLLQCQVGEMQ-UHFFFAOYSA-N 1 2 360.414 2.603 20 5 FFBDLO COC(=O)CCn1nc(C)c(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1C ZINC000179315773 509371337 /nfs/dbraw/zinc/37/13/37/509371337.db2.gz HUJZLLQCQVGEMQ-UHFFFAOYSA-N 1 2 360.414 2.603 20 5 FFBDLO COc1cccc2c1CC[N@@H+]([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000182695184 509377249 /nfs/dbraw/zinc/37/72/49/509377249.db2.gz YHPKYLXMLPASGK-CYBMUJFWSA-N 1 2 355.394 2.989 20 5 FFBDLO COc1cccc2c1CC[N@H+]([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000182695184 509377258 /nfs/dbraw/zinc/37/72/58/509377258.db2.gz YHPKYLXMLPASGK-CYBMUJFWSA-N 1 2 355.394 2.989 20 5 FFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000192653652 509583948 /nfs/dbraw/zinc/58/39/48/509583948.db2.gz WDFQYQLCVTWXTL-XJKSGUPXSA-N 1 2 371.393 2.694 20 5 FFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000192653652 509583954 /nfs/dbraw/zinc/58/39/54/509583954.db2.gz WDFQYQLCVTWXTL-XJKSGUPXSA-N 1 2 371.393 2.694 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3noc(-c4ccccc4)n3)C2)nc1 ZINC000173468868 509620673 /nfs/dbraw/zinc/62/06/73/509620673.db2.gz WRWMDPWBIFWAKZ-AWEZNQCLSA-N 1 2 366.381 2.726 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3noc(-c4ccccc4)n3)C2)nc1 ZINC000173468868 509620681 /nfs/dbraw/zinc/62/06/81/509620681.db2.gz WRWMDPWBIFWAKZ-AWEZNQCLSA-N 1 2 366.381 2.726 20 5 FFBDLO C[C@@H](O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000264714183 509661419 /nfs/dbraw/zinc/66/14/19/509661419.db2.gz LNHUWICKLZXHDW-WDEREUQCSA-N 1 2 355.822 2.668 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC([C@H](C)O)CC1 ZINC000264714174 509661706 /nfs/dbraw/zinc/66/17/06/509661706.db2.gz LNHUWICKLZXHDW-MNOVXSKESA-N 1 2 355.822 2.668 20 5 FFBDLO O=C(C[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000183359389 509736623 /nfs/dbraw/zinc/73/66/23/509736623.db2.gz ZNJMNIQWRVFERQ-HNNXBMFYSA-N 1 2 359.357 2.826 20 5 FFBDLO O=C(C[N@H+]1CC[C@H](Oc2cccc(F)c2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000183359389 509736629 /nfs/dbraw/zinc/73/66/29/509736629.db2.gz ZNJMNIQWRVFERQ-HNNXBMFYSA-N 1 2 359.357 2.826 20 5 FFBDLO Cc1noc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000249751947 509753038 /nfs/dbraw/zinc/75/30/38/509753038.db2.gz DMNOLEXFZFXMAQ-GXTWGEPZSA-N 1 2 373.413 2.801 20 5 FFBDLO Cc1noc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000249751947 509753042 /nfs/dbraw/zinc/75/30/42/509753042.db2.gz DMNOLEXFZFXMAQ-GXTWGEPZSA-N 1 2 373.413 2.801 20 5 FFBDLO C[NH+](C)[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000173771211 509767811 /nfs/dbraw/zinc/76/78/11/509767811.db2.gz TZGGBLGKXLAQNL-INIZCTEOSA-N 1 2 363.364 2.835 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCc4ccccc4[C@H]3CO)n2)cc1 ZINC000268146216 509780121 /nfs/dbraw/zinc/78/01/21/509780121.db2.gz QNBLFVUMEAGWLO-QGZVFWFLSA-N 1 2 366.377 2.737 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCc4ccccc4[C@H]3CO)n2)cc1 ZINC000268146216 509780128 /nfs/dbraw/zinc/78/01/28/509780128.db2.gz QNBLFVUMEAGWLO-QGZVFWFLSA-N 1 2 366.377 2.737 20 5 FFBDLO C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@H](C)[NH+]1CCOCC1 ZINC000170885532 509831532 /nfs/dbraw/zinc/83/15/32/509831532.db2.gz GGFSATKLFFSCTK-RYUDHWBXSA-N 1 2 363.439 2.649 20 5 FFBDLO C[C@H]([C@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[NH+]1CCOCC1 ZINC000170885526 509832546 /nfs/dbraw/zinc/83/25/46/509832546.db2.gz GGFSATKLFFSCTK-NWDGAFQWSA-N 1 2 363.439 2.649 20 5 FFBDLO O=C(Nc1nc2c(s1)COCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000171022551 509894164 /nfs/dbraw/zinc/89/41/64/509894164.db2.gz LLHKGGPGEGEANU-UHFFFAOYSA-N 1 2 371.378 2.562 20 5 FFBDLO Cc1ccc(C)c(S(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000190064977 509917912 /nfs/dbraw/zinc/91/79/12/509917912.db2.gz YIFSCTLTPNEWHH-CYBMUJFWSA-N 1 2 364.427 2.851 20 5 FFBDLO COc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000265207102 509921891 /nfs/dbraw/zinc/92/18/91/509921891.db2.gz FCLXLSGVHJYMCF-AWEZNQCLSA-N 1 2 370.409 2.517 20 5 FFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCC(C)(CO)CC1 ZINC000186906574 509941807 /nfs/dbraw/zinc/94/18/07/509941807.db2.gz TVKLMBOIOGXPOE-NSHDSACASA-N 1 2 355.822 2.670 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCOC2(CCCCC2)C1 ZINC000174448246 510119226 /nfs/dbraw/zinc/11/92/26/510119226.db2.gz VVEDVGGNNFIFBW-UHFFFAOYSA-N 1 2 370.409 2.956 20 5 FFBDLO COc1ccc(NC(=O)C[NH2+][C@H](C)c2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000184146818 510160608 /nfs/dbraw/zinc/16/06/08/510160608.db2.gz ODTQIBAZIZIUPP-SNVBAGLBSA-N 1 2 350.400 2.658 20 5 FFBDLO CNC(=O)c1ccc(C[N@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])cc1 ZINC000184231695 510207395 /nfs/dbraw/zinc/20/73/95/510207395.db2.gz GPVGUJVQRQPTDG-UHFFFAOYSA-N 1 2 361.373 2.734 20 5 FFBDLO CNC(=O)c1ccc(C[N@@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])cc1 ZINC000184231695 510207399 /nfs/dbraw/zinc/20/73/99/510207399.db2.gz GPVGUJVQRQPTDG-UHFFFAOYSA-N 1 2 361.373 2.734 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000246068905 510274331 /nfs/dbraw/zinc/27/43/31/510274331.db2.gz CEXUTQPLLWMSGW-GDBMZVCRSA-N 1 2 365.455 2.902 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000246068905 510274335 /nfs/dbraw/zinc/27/43/35/510274335.db2.gz CEXUTQPLLWMSGW-GDBMZVCRSA-N 1 2 365.455 2.902 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000246095469 510290234 /nfs/dbraw/zinc/29/02/34/510290234.db2.gz HPQFRXRYJXSPRF-GDBMZVCRSA-N 1 2 365.455 2.902 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CCS[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000246095469 510290240 /nfs/dbraw/zinc/29/02/40/510290240.db2.gz HPQFRXRYJXSPRF-GDBMZVCRSA-N 1 2 365.455 2.902 20 5 FFBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000171710267 510324247 /nfs/dbraw/zinc/32/42/47/510324247.db2.gz KSOLNAGOSTYESZ-UHFFFAOYSA-N 1 2 361.423 2.544 20 5 FFBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000171710267 510324256 /nfs/dbraw/zinc/32/42/56/510324256.db2.gz KSOLNAGOSTYESZ-UHFFFAOYSA-N 1 2 361.423 2.544 20 5 FFBDLO O=C1[C@@H]([N@@H+]2CCC[C@H](C(F)(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000171757736 510350546 /nfs/dbraw/zinc/35/05/46/510350546.db2.gz UCDAHWZWXIJJCD-FZMZJTMJSA-N 1 2 357.332 2.974 20 5 FFBDLO O=C1[C@@H]([N@H+]2CCC[C@H](C(F)(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000171757736 510350551 /nfs/dbraw/zinc/35/05/51/510350551.db2.gz UCDAHWZWXIJJCD-FZMZJTMJSA-N 1 2 357.332 2.974 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1ccccn1)C1CC1 ZINC000181317113 510352535 /nfs/dbraw/zinc/35/25/35/510352535.db2.gz JGUSRWFCBZDWGK-UHFFFAOYSA-N 1 2 356.382 2.602 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccccn1)C1CC1 ZINC000181317113 510352541 /nfs/dbraw/zinc/35/25/41/510352541.db2.gz JGUSRWFCBZDWGK-UHFFFAOYSA-N 1 2 356.382 2.602 20 5 FFBDLO COC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccco1 ZINC000184606373 510414143 /nfs/dbraw/zinc/41/41/43/510414143.db2.gz SXSLUACDIJKREN-GFCCVEGCSA-N 1 2 353.762 2.757 20 5 FFBDLO CC[C@@H]([NH2+]CC(=O)NC(=O)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000181548626 510468686 /nfs/dbraw/zinc/46/86/86/510468686.db2.gz QOQLVAYIFFWEMX-QGZVFWFLSA-N 1 2 371.393 2.601 20 5 FFBDLO Cc1ccc(C)c([C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)[C@@H](C)CO2)c1 ZINC000246434162 510487302 /nfs/dbraw/zinc/48/73/02/510487302.db2.gz BNGLURJMOXXKFH-LPHOPBHVSA-N 1 2 371.437 2.835 20 5 FFBDLO Cc1ccc(C)c([C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)[C@@H](C)CO2)c1 ZINC000246434162 510487311 /nfs/dbraw/zinc/48/73/11/510487311.db2.gz BNGLURJMOXXKFH-LPHOPBHVSA-N 1 2 371.437 2.835 20 5 FFBDLO COc1cccc2c1[nH+]c(NCc1cc(OC)c(O)cc1[N+](=O)[O-])n2C ZINC000184789833 510516281 /nfs/dbraw/zinc/51/62/81/510516281.db2.gz AGTMBMPMWWRWSJ-UHFFFAOYSA-N 1 2 358.354 2.816 20 5 FFBDLO C[C@H](C(=O)NCc1cccnc1-n1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1F ZINC000184922042 510586455 /nfs/dbraw/zinc/58/64/55/510586455.db2.gz PPPQYAYNBJKURH-LBPRGKRZSA-N 1 2 369.356 2.735 20 5 FFBDLO CCO[C@@H]1C[C@@H]([N@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000181905770 510651689 /nfs/dbraw/zinc/65/16/89/510651689.db2.gz PZNRQORFZHNQRT-HZPDHXFCSA-N 1 2 370.471 2.504 20 5 FFBDLO CCO[C@@H]1C[C@@H]([N@@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000181905770 510651694 /nfs/dbraw/zinc/65/16/94/510651694.db2.gz PZNRQORFZHNQRT-HZPDHXFCSA-N 1 2 370.471 2.504 20 5 FFBDLO COc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000178727806 510740743 /nfs/dbraw/zinc/74/07/43/510740743.db2.gz OHRJCYXQIQEWQB-CYBMUJFWSA-N 1 2 355.394 2.989 20 5 FFBDLO COc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000178727806 510740752 /nfs/dbraw/zinc/74/07/52/510740752.db2.gz OHRJCYXQIQEWQB-CYBMUJFWSA-N 1 2 355.394 2.989 20 5 FFBDLO Cc1cccc(NC(=O)C[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)c1C ZINC000178856508 510807002 /nfs/dbraw/zinc/80/70/02/510807002.db2.gz SATLADNKPXRQBK-SFHVURJKSA-N 1 2 357.410 2.816 20 5 FFBDLO Cc1cccc(NC(=O)C[N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)c1C ZINC000178856508 510807010 /nfs/dbraw/zinc/80/70/10/510807010.db2.gz SATLADNKPXRQBK-SFHVURJKSA-N 1 2 357.410 2.816 20 5 FFBDLO CC1(C)CN(CC(F)(F)F)CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000182241528 510830132 /nfs/dbraw/zinc/83/01/32/510830132.db2.gz FFVLKJUUDHCMGN-UHFFFAOYSA-N 1 2 361.364 2.932 20 5 FFBDLO CC1(C)CN(CC(F)(F)F)CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000182241528 510830136 /nfs/dbraw/zinc/83/01/36/510830136.db2.gz FFVLKJUUDHCMGN-UHFFFAOYSA-N 1 2 361.364 2.932 20 5 FFBDLO O=C(CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccc(F)cc1 ZINC000298177979 511200239 /nfs/dbraw/zinc/20/02/39/511200239.db2.gz VBFQOKOTJYDDOS-UHFFFAOYSA-N 1 2 358.373 2.524 20 5 FFBDLO C[C@H](O)C[C@@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000279824585 511230894 /nfs/dbraw/zinc/23/08/94/511230894.db2.gz QQOIGGPCHLLRHL-ZFWWWQNUSA-N 1 2 358.398 2.546 20 5 FFBDLO CCOC(=O)[C@H](c1ccccc1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365124446 511270704 /nfs/dbraw/zinc/27/07/04/511270704.db2.gz OQIWXAJOIRGUDA-KRWDZBQOSA-N 1 2 358.398 2.733 20 5 FFBDLO C[C@@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1[N+](=O)[O-] ZINC000271667960 511281582 /nfs/dbraw/zinc/28/15/82/511281582.db2.gz HLBSPCAPWSOZHR-KGLIPLIRSA-N 1 2 355.398 2.629 20 5 FFBDLO CCOCCOC1CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000272023200 511404798 /nfs/dbraw/zinc/40/47/98/511404798.db2.gz QBPUFWCQOOSJGQ-UHFFFAOYSA-N 1 2 358.398 2.602 20 5 FFBDLO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000298793330 511411575 /nfs/dbraw/zinc/41/15/75/511411575.db2.gz GFQWAGQQEKMWLL-UHFFFAOYSA-N 1 2 360.801 2.601 20 5 FFBDLO Cn1ccnc1[C@H](O)C1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000284136811 511619032 /nfs/dbraw/zinc/61/90/32/511619032.db2.gz PWEJJVRRYSTAJS-MRXNPFEDSA-N 1 2 366.368 2.552 20 5 FFBDLO CCn1cc[nH+]c1[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000280879560 511639070 /nfs/dbraw/zinc/63/90/70/511639070.db2.gz DWFBHXIQPDGSEM-OAHLLOKOSA-N 1 2 364.427 2.727 20 5 FFBDLO CN(C(=O)C[N@@H+]1CCCC[C@H]1c1ccnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000281318930 511803661 /nfs/dbraw/zinc/80/36/61/511803661.db2.gz INHQODYMBQFRKE-KRWDZBQOSA-N 1 2 357.414 2.518 20 5 FFBDLO CN(C(=O)C[N@H+]1CCCC[C@H]1c1ccnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000281318930 511803664 /nfs/dbraw/zinc/80/36/64/511803664.db2.gz INHQODYMBQFRKE-KRWDZBQOSA-N 1 2 357.414 2.518 20 5 FFBDLO COc1cc(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c([N+](=O)[O-])cc1F ZINC000274357897 511807010 /nfs/dbraw/zinc/80/70/10/511807010.db2.gz YRURRMWKACTRHH-ZWNOBZJWSA-N 1 2 352.284 2.630 20 5 FFBDLO COc1cc(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c([N+](=O)[O-])cc1F ZINC000274357897 511807014 /nfs/dbraw/zinc/80/70/14/511807014.db2.gz YRURRMWKACTRHH-ZWNOBZJWSA-N 1 2 352.284 2.630 20 5 FFBDLO CC(C)[C@@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000293040474 511817799 /nfs/dbraw/zinc/81/77/99/511817799.db2.gz GXCZUPVTWSWEMU-HNNXBMFYSA-N 1 2 355.822 2.934 20 5 FFBDLO CC(C)[C@@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000293040474 511817804 /nfs/dbraw/zinc/81/78/04/511817804.db2.gz GXCZUPVTWSWEMU-HNNXBMFYSA-N 1 2 355.822 2.934 20 5 FFBDLO O=C(NCC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1)C(F)(F)F ZINC000281429398 511845011 /nfs/dbraw/zinc/84/50/11/511845011.db2.gz ZMQNAXSJNGGXTM-UHFFFAOYSA-N 1 2 351.350 2.547 20 5 FFBDLO CCC[C@H](C)C(=O)NCC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000293831337 512094057 /nfs/dbraw/zinc/09/40/57/512094057.db2.gz XAIAOIROADUGIA-WMLDXEAASA-N 1 2 373.457 2.560 20 5 FFBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCn2c(nnc2-c2cccnc2)C1 ZINC000367475274 512520114 /nfs/dbraw/zinc/52/01/14/512520114.db2.gz WAJCVGJMMMWKCD-QPJJXVBHSA-N 1 2 362.393 2.777 20 5 FFBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCn2c(nnc2-c2cccnc2)C1 ZINC000367475274 512520119 /nfs/dbraw/zinc/52/01/19/512520119.db2.gz WAJCVGJMMMWKCD-QPJJXVBHSA-N 1 2 362.393 2.777 20 5 FFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000373915784 512569331 /nfs/dbraw/zinc/56/93/31/512569331.db2.gz LOMIHPIZQHNGTJ-KBXCAEBGSA-N 1 2 370.409 2.608 20 5 FFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000373915784 512569333 /nfs/dbraw/zinc/56/93/33/512569333.db2.gz LOMIHPIZQHNGTJ-KBXCAEBGSA-N 1 2 370.409 2.608 20 5 FFBDLO CC(C)[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000411523027 512673117 /nfs/dbraw/zinc/67/31/17/512673117.db2.gz XPCCNDJFAGFCOG-INIZCTEOSA-N 1 2 365.430 2.879 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCSC3(CCC3)CC2)cc1 ZINC000411878635 512855836 /nfs/dbraw/zinc/85/58/36/512855836.db2.gz XGCNSVNONSEPRQ-UHFFFAOYSA-N 1 2 370.496 2.730 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCSC3(CCC3)CC2)cc1 ZINC000411878635 512855843 /nfs/dbraw/zinc/85/58/43/512855843.db2.gz XGCNSVNONSEPRQ-UHFFFAOYSA-N 1 2 370.496 2.730 20 5 FFBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000374755729 512986571 /nfs/dbraw/zinc/98/65/71/512986571.db2.gz UGJYPALZXJVMPS-NSHDSACASA-N 1 2 370.818 2.806 20 5 FFBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000412201581 512994964 /nfs/dbraw/zinc/99/49/64/512994964.db2.gz COFNGLMADSCAEF-HYVNUMGLSA-N 1 2 354.410 2.897 20 5 FFBDLO CC(C)(C)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@@H]1O ZINC000450424047 513188691 /nfs/dbraw/zinc/18/86/91/513188691.db2.gz JWKZXWVQYAONHO-PBHICJAKSA-N 1 2 372.425 2.650 20 5 FFBDLO CC(C)c1[nH]nc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c1[N+](=O)[O-] ZINC000433994720 513209788 /nfs/dbraw/zinc/20/97/88/513209788.db2.gz UPNAUFOFNLQAKZ-UHFFFAOYSA-N 1 2 373.413 2.526 20 5 FFBDLO CCN1CCN(c2nccc3c2cccc3[N+](=O)[O-])C[C@@H]1c1[nH]cc[nH+]1 ZINC000450493778 513220871 /nfs/dbraw/zinc/22/08/71/513220871.db2.gz GJYGHQRJWQKCPR-MRXNPFEDSA-N 1 2 352.398 2.749 20 5 FFBDLO COCC1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000412690006 513225447 /nfs/dbraw/zinc/22/54/47/513225447.db2.gz ZJHSFLPCRICSHO-UHFFFAOYSA-N 1 2 358.398 2.716 20 5 FFBDLO CC(C)c1n[nH]c(C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000412697974 513230699 /nfs/dbraw/zinc/23/06/99/513230699.db2.gz MZNMZBCCDMKIFJ-AWEZNQCLSA-N 1 2 371.441 2.788 20 5 FFBDLO CC(C)c1n[nH]c(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000412697974 513230705 /nfs/dbraw/zinc/23/07/05/513230705.db2.gz MZNMZBCCDMKIFJ-AWEZNQCLSA-N 1 2 371.441 2.788 20 5 FFBDLO CC(C)c1[nH]nc(C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000412697974 513230712 /nfs/dbraw/zinc/23/07/12/513230712.db2.gz MZNMZBCCDMKIFJ-AWEZNQCLSA-N 1 2 371.441 2.788 20 5 FFBDLO CC(C)c1[nH]nc(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000412697974 513230718 /nfs/dbraw/zinc/23/07/18/513230718.db2.gz MZNMZBCCDMKIFJ-AWEZNQCLSA-N 1 2 371.441 2.788 20 5 FFBDLO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000428994890 513244241 /nfs/dbraw/zinc/24/42/41/513244241.db2.gz GNEQMVLRSJEOLX-LLVKDONJSA-N 1 2 367.812 2.832 20 5 FFBDLO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000428994890 513244250 /nfs/dbraw/zinc/24/42/50/513244250.db2.gz GNEQMVLRSJEOLX-LLVKDONJSA-N 1 2 367.812 2.832 20 5 FFBDLO C[C@@H](c1csnn1)[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000450733898 513318598 /nfs/dbraw/zinc/31/85/98/513318598.db2.gz AVBGYLOQBBFJAQ-NSHDSACASA-N 1 2 373.442 2.596 20 5 FFBDLO C[C@@H](c1csnn1)[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000450733898 513318603 /nfs/dbraw/zinc/31/86/03/513318603.db2.gz AVBGYLOQBBFJAQ-NSHDSACASA-N 1 2 373.442 2.596 20 5 FFBDLO C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[NH+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000429361879 513352063 /nfs/dbraw/zinc/35/20/63/513352063.db2.gz LDJRVCOKKLLTTH-GJZGRUSLSA-N 1 2 363.458 2.941 20 5 FFBDLO CC[C@H](C)[NH+]1CCN(c2ncc([N+](=O)[O-])c(C)c2Br)CC1 ZINC000450861794 513372965 /nfs/dbraw/zinc/37/29/65/513372965.db2.gz PYCXQYIFAKOZSS-JTQLQIEISA-N 1 2 357.252 2.981 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000451212211 513595018 /nfs/dbraw/zinc/59/50/18/513595018.db2.gz WMOZVAXIHVTKMU-UHFFFAOYSA-N 1 2 355.394 2.867 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000451212211 513595036 /nfs/dbraw/zinc/59/50/36/513595036.db2.gz WMOZVAXIHVTKMU-UHFFFAOYSA-N 1 2 355.394 2.867 20 5 FFBDLO Cc1cc(NCc2nnc(C(C)(C)C)[nH]2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413423471 513649299 /nfs/dbraw/zinc/64/92/99/513649299.db2.gz UZHRZJFRMZGSGB-UHFFFAOYSA-N 1 2 367.413 2.810 20 5 FFBDLO COc1cc(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)c([N+](=O)[O-])cc1F ZINC000451408690 513728983 /nfs/dbraw/zinc/72/89/83/513728983.db2.gz ZKKFVDOKCWNLBG-UHFFFAOYSA-N 1 2 362.361 2.548 20 5 FFBDLO CC(C)[NH+]1CCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC1 ZINC000436082196 513756153 /nfs/dbraw/zinc/75/61/53/513756153.db2.gz KATRMUOIYDBHBX-UHFFFAOYSA-N 1 2 367.424 2.987 20 5 FFBDLO Cc1ncccc1OC[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000419407761 513800917 /nfs/dbraw/zinc/80/09/17/513800917.db2.gz ZBMOGENMMVHYST-HNNXBMFYSA-N 1 2 370.409 2.780 20 5 FFBDLO Cc1ncccc1OC[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000419407761 513800921 /nfs/dbraw/zinc/80/09/21/513800921.db2.gz ZBMOGENMMVHYST-HNNXBMFYSA-N 1 2 370.409 2.780 20 5 FFBDLO O=[N+]([O-])c1cccc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)c1 ZINC000436261183 513810629 /nfs/dbraw/zinc/81/06/29/513810629.db2.gz PAFMUYDHJDROHP-UXHICEINSA-N 1 2 353.422 2.680 20 5 FFBDLO O=[N+]([O-])c1cccc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)c1 ZINC000436261183 513810635 /nfs/dbraw/zinc/81/06/35/513810635.db2.gz PAFMUYDHJDROHP-UXHICEINSA-N 1 2 353.422 2.680 20 5 FFBDLO CCCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H](C)C(=O)OCC ZINC000436350904 513834729 /nfs/dbraw/zinc/83/47/29/513834729.db2.gz AUGIOKYYIHOJHG-ZDUSSCGKSA-N 1 2 374.397 2.584 20 5 FFBDLO CN(C)c1ccc(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000431870785 514025600 /nfs/dbraw/zinc/02/56/00/514025600.db2.gz OGQWDRXWZPXTSK-UHFFFAOYSA-N 1 2 357.414 2.790 20 5 FFBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000431885711 514029265 /nfs/dbraw/zinc/02/92/65/514029265.db2.gz ZXPKSMCJBYIZLC-UHFFFAOYSA-N 1 2 360.345 2.526 20 5 FFBDLO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000436959045 514051086 /nfs/dbraw/zinc/05/10/86/514051086.db2.gz LIAMSNQORAISHD-ZFWWWQNUSA-N 1 2 355.394 2.866 20 5 FFBDLO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000436959045 514051091 /nfs/dbraw/zinc/05/10/91/514051091.db2.gz LIAMSNQORAISHD-ZFWWWQNUSA-N 1 2 355.394 2.866 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451901936 514056002 /nfs/dbraw/zinc/05/60/02/514056002.db2.gz BYYFYUVPSZUIFR-CQSZACIVSA-N 1 2 359.213 2.632 20 5 FFBDLO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436974401 514058922 /nfs/dbraw/zinc/05/89/22/514058922.db2.gz YHOTUHDRBVCDQQ-RDTXWAMCSA-N 1 2 369.421 2.941 20 5 FFBDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436974401 514058928 /nfs/dbraw/zinc/05/89/28/514058928.db2.gz YHOTUHDRBVCDQQ-RDTXWAMCSA-N 1 2 369.421 2.941 20 5 FFBDLO C[C@H](c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1)[NH+]1CCOCC1 ZINC000436987788 514063886 /nfs/dbraw/zinc/06/38/86/514063886.db2.gz KAUNXHXCDBDHGL-CYBMUJFWSA-N 1 2 371.393 2.946 20 5 FFBDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000451931153 514079714 /nfs/dbraw/zinc/07/97/14/514079714.db2.gz LJGUMEUQNFNTNS-SECBINFHSA-N 1 2 358.807 2.504 20 5 FFBDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444282220 514179253 /nfs/dbraw/zinc/17/92/53/514179253.db2.gz AYYBEPWYDIUJTC-QWHCGFSZSA-N 1 2 367.424 2.985 20 5 FFBDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444282220 514179259 /nfs/dbraw/zinc/17/92/59/514179259.db2.gz AYYBEPWYDIUJTC-QWHCGFSZSA-N 1 2 367.424 2.985 20 5 FFBDLO CN(c1ccccc1)c1ccc(C[N@@H+]2CCOC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000449412136 514200636 /nfs/dbraw/zinc/20/06/36/514200636.db2.gz DWFUHBMMQGVCTO-KRWDZBQOSA-N 1 2 357.410 2.556 20 5 FFBDLO CN(c1ccccc1)c1ccc(C[N@H+]2CCOC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000449412136 514200637 /nfs/dbraw/zinc/20/06/37/514200637.db2.gz DWFUHBMMQGVCTO-KRWDZBQOSA-N 1 2 357.410 2.556 20 5 FFBDLO CCc1ccnc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000437734283 514223208 /nfs/dbraw/zinc/22/32/08/514223208.db2.gz HZYCBVVFDAEQJT-UHFFFAOYSA-N 1 2 351.366 2.668 20 5 FFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000449553519 514250317 /nfs/dbraw/zinc/25/03/17/514250317.db2.gz MVNMTINHXCYQLD-QWSHFYNQSA-N 1 2 364.467 2.899 20 5 FFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000449553519 514250325 /nfs/dbraw/zinc/25/03/25/514250325.db2.gz MVNMTINHXCYQLD-QWSHFYNQSA-N 1 2 364.467 2.899 20 5 FFBDLO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444603891 514271594 /nfs/dbraw/zinc/27/15/94/514271594.db2.gz YKNAIHWEWFWOIA-ZDUSSCGKSA-N 1 2 359.430 2.599 20 5 FFBDLO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444603891 514271597 /nfs/dbraw/zinc/27/15/97/514271597.db2.gz YKNAIHWEWFWOIA-ZDUSSCGKSA-N 1 2 359.430 2.599 20 5 FFBDLO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1cc(F)cc(F)c1 ZINC000444712338 514300939 /nfs/dbraw/zinc/30/09/39/514300939.db2.gz YWNASLHHRPKLQL-UHFFFAOYSA-N 1 2 361.348 2.894 20 5 FFBDLO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1cc(F)cc(F)c1 ZINC000444712338 514300943 /nfs/dbraw/zinc/30/09/43/514300943.db2.gz YWNASLHHRPKLQL-UHFFFAOYSA-N 1 2 361.348 2.894 20 5 FFBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCc3c(nnn3-c3ccccc3)C2)cc1 ZINC000433197676 514417920 /nfs/dbraw/zinc/41/79/20/514417920.db2.gz SXZUSKPJZFWLIV-UHFFFAOYSA-N 1 2 365.393 2.613 20 5 FFBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCc3c(nnn3-c3ccccc3)C2)cc1 ZINC000433197676 514417928 /nfs/dbraw/zinc/41/79/28/514417928.db2.gz SXZUSKPJZFWLIV-UHFFFAOYSA-N 1 2 365.393 2.613 20 5 FFBDLO CCO[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C12CCC2 ZINC000449938009 514431917 /nfs/dbraw/zinc/43/19/17/514431917.db2.gz DMFHSGRUIHWNHP-DLBZAZTESA-N 1 2 370.409 2.858 20 5 FFBDLO COc1cc(C[N@@H+]2CC[C@@]23CCOC3)c([N+](=O)[O-])cc1OCC(F)F ZINC000421016801 514441001 /nfs/dbraw/zinc/44/10/01/514441001.db2.gz JHTBSOBLYBBIRB-INIZCTEOSA-N 1 2 358.341 2.612 20 5 FFBDLO COc1cc(C[N@H+]2CC[C@@]23CCOC3)c([N+](=O)[O-])cc1OCC(F)F ZINC000421016801 514441009 /nfs/dbraw/zinc/44/10/09/514441009.db2.gz JHTBSOBLYBBIRB-INIZCTEOSA-N 1 2 358.341 2.612 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@@]2(CCCOC2)C1 ZINC000450028790 514472326 /nfs/dbraw/zinc/47/23/26/514472326.db2.gz PKOFPZRORWZKQG-LJQANCHMSA-N 1 2 370.409 2.813 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1-c1noc(/C=C/c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000445581162 514495672 /nfs/dbraw/zinc/49/56/72/514495672.db2.gz YVXGYQICZZZZHV-QPJJXVBHSA-N 1 2 363.337 2.734 20 5 FFBDLO O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000450122824 514502793 /nfs/dbraw/zinc/50/27/93/514502793.db2.gz RRXLNKJUXBDIAE-UHFFFAOYSA-N 1 2 366.381 2.728 20 5 FFBDLO O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000450122824 514502799 /nfs/dbraw/zinc/50/27/99/514502799.db2.gz RRXLNKJUXBDIAE-UHFFFAOYSA-N 1 2 366.381 2.728 20 5 FFBDLO Cc1nc(N2CC[NH+](Cc3ccc(F)cc3Cl)CC2)ncc1[N+](=O)[O-] ZINC000450250331 514564252 /nfs/dbraw/zinc/56/42/52/514564252.db2.gz JASJICNQYAWTIL-UHFFFAOYSA-N 1 2 365.796 2.808 20 5 FFBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3ccn(CC(F)(F)F)n3)CC2)c1 ZINC000450262282 514570056 /nfs/dbraw/zinc/57/00/56/514570056.db2.gz RWTNYYMIYFEOLD-UHFFFAOYSA-N 1 2 369.347 2.676 20 5 FFBDLO COc1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1Cl ZINC000453575717 514696482 /nfs/dbraw/zinc/69/64/82/514696482.db2.gz LNMQVIALLHUBDE-UHFFFAOYSA-N 1 2 362.817 2.974 20 5 FFBDLO CCN1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@@H]1c1ncc[nH]1 ZINC000471076837 514742389 /nfs/dbraw/zinc/74/23/89/514742389.db2.gz OXMXKNXFMBFNNU-QGZVFWFLSA-N 1 2 373.457 2.984 20 5 FFBDLO CCN1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@@H]1c1ncc[nH]1 ZINC000471076837 514742399 /nfs/dbraw/zinc/74/23/99/514742399.db2.gz OXMXKNXFMBFNNU-QGZVFWFLSA-N 1 2 373.457 2.984 20 5 FFBDLO CC[N@H+](CCCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccccc1 ZINC000485035833 514884081 /nfs/dbraw/zinc/88/40/81/514884081.db2.gz SSGPIHBFEFHHFO-UHFFFAOYSA-N 1 2 371.393 2.970 20 5 FFBDLO CC[N@@H+](CCCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccccc1 ZINC000485035833 514884087 /nfs/dbraw/zinc/88/40/87/514884087.db2.gz SSGPIHBFEFHHFO-UHFFFAOYSA-N 1 2 371.393 2.970 20 5 FFBDLO COc1c(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)cccc1[N+](=O)[O-] ZINC000476049860 514898457 /nfs/dbraw/zinc/89/84/57/514898457.db2.gz KDUSYDBXXVPTBH-UHFFFAOYSA-N 1 2 352.350 2.719 20 5 FFBDLO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c2[nH+]ccn21 ZINC000456426897 515176874 /nfs/dbraw/zinc/17/68/74/515176874.db2.gz QTNAHPQPPNVBPI-KWQFWETISA-N 1 2 352.297 2.829 20 5 FFBDLO COc1cccc(N2CC[NH+](Cc3ccc([N+](=O)[O-])c(OC)c3)CC2)c1 ZINC000485821478 515203652 /nfs/dbraw/zinc/20/36/52/515203652.db2.gz DRLWRPZNLIQRPB-UHFFFAOYSA-N 1 2 357.410 2.934 20 5 FFBDLO CN(CC(=O)NCc1cn2cc(Cl)ccc2[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000463329829 515443363 /nfs/dbraw/zinc/44/33/63/515443363.db2.gz OQHHPOMKHVRPMP-UHFFFAOYSA-N 1 2 373.800 2.649 20 5 FFBDLO CCOC(=O)c1cc(C(=O)NCc2c[nH+]c(C)cc2C)cc([N+](=O)[O-])c1 ZINC000456866223 515467803 /nfs/dbraw/zinc/46/78/03/515467803.db2.gz UUYXRJKCUXBTPS-UHFFFAOYSA-N 1 2 357.366 2.713 20 5 FFBDLO CN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000492877815 515573183 /nfs/dbraw/zinc/57/31/83/515573183.db2.gz MIPHJYQAEOLZET-MRXNPFEDSA-N 1 2 351.366 2.762 20 5 FFBDLO O=C(NCCOCC1CCCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000457158448 515695420 /nfs/dbraw/zinc/69/54/20/515695420.db2.gz JXEKVCLKUXDHFU-UHFFFAOYSA-N 1 2 358.398 2.717 20 5 FFBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N1CCC(c2ccccc2)=N1 ZINC000511073521 515767742 /nfs/dbraw/zinc/76/77/42/515767742.db2.gz LBNGFDRSWRZMOS-UHFFFAOYSA-N 1 2 366.421 2.706 20 5 FFBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N1CCC(c2ccccc2)=N1 ZINC000511073521 515767747 /nfs/dbraw/zinc/76/77/47/515767747.db2.gz LBNGFDRSWRZMOS-UHFFFAOYSA-N 1 2 366.421 2.706 20 5 FFBDLO O=C1C[C@@H](c2ccccc2)[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1 ZINC000482699466 515774253 /nfs/dbraw/zinc/77/42/53/515774253.db2.gz NOROZTCIPFBMKX-KRWDZBQOSA-N 1 2 365.393 2.534 20 5 FFBDLO O=C1C[C@@H](c2ccccc2)[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1 ZINC000482699466 515774259 /nfs/dbraw/zinc/77/42/59/515774259.db2.gz NOROZTCIPFBMKX-KRWDZBQOSA-N 1 2 365.393 2.534 20 5 FFBDLO C[NH+](C)Cc1csc(NC(=O)CCOc2ccccc2[N+](=O)[O-])n1 ZINC000457283862 515779691 /nfs/dbraw/zinc/77/96/91/515779691.db2.gz DLPMTRBJPPUHBA-UHFFFAOYSA-N 1 2 350.400 2.521 20 5 FFBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000482750423 515792333 /nfs/dbraw/zinc/79/23/33/515792333.db2.gz NBOGOELGMZHMER-UHFFFAOYSA-N 1 2 353.338 2.926 20 5 FFBDLO C[NH+](C)Cc1csc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC000457307666 515797061 /nfs/dbraw/zinc/79/70/61/515797061.db2.gz GJIQDZUENIFUKO-UHFFFAOYSA-N 1 2 372.353 2.967 20 5 FFBDLO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000469443568 515819177 /nfs/dbraw/zinc/81/91/77/515819177.db2.gz YOHNBXNWZUMWSY-INIZCTEOSA-N 1 2 368.393 2.858 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+](C)Cc2cnccc2C)c([N+](=O)[O-])c1 ZINC000483030084 515889144 /nfs/dbraw/zinc/88/91/44/515889144.db2.gz ZMJYEPQPGBQINY-UHFFFAOYSA-N 1 2 358.398 2.767 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+](C)Cc2cnccc2C)c([N+](=O)[O-])c1 ZINC000483030084 515889158 /nfs/dbraw/zinc/88/91/58/515889158.db2.gz ZMJYEPQPGBQINY-UHFFFAOYSA-N 1 2 358.398 2.767 20 5 FFBDLO Cc1ccc([C@@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000469634274 515898538 /nfs/dbraw/zinc/89/85/38/515898538.db2.gz SLJOKHXYWXAXEA-MRXNPFEDSA-N 1 2 359.382 2.769 20 5 FFBDLO Cc1cccc(C)c1OC[C@@H](O)C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000470030645 516085943 /nfs/dbraw/zinc/08/59/43/516085943.db2.gz IJTBOMFLSQKZMZ-KRWDZBQOSA-N 1 2 372.421 2.715 20 5 FFBDLO CC(C)[C@H]1OCCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000488060515 516099771 /nfs/dbraw/zinc/09/97/71/516099771.db2.gz IMPBRFSOAQFODH-CRAIPNDOSA-N 1 2 372.425 2.962 20 5 FFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(Cc2noc(C)n2)CC1 ZINC000470177328 516163743 /nfs/dbraw/zinc/16/37/43/516163743.db2.gz BYDALPXJRJGAHE-UVTDQMKNSA-N 1 2 357.414 2.507 20 5 FFBDLO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000507505874 516225778 /nfs/dbraw/zinc/22/57/78/516225778.db2.gz LSIDYXLDRURSNG-DZGCQCFKSA-N 1 2 355.394 2.866 20 5 FFBDLO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000507505874 516225785 /nfs/dbraw/zinc/22/57/85/516225785.db2.gz LSIDYXLDRURSNG-DZGCQCFKSA-N 1 2 355.394 2.866 20 5 FFBDLO Cc1n[nH]c(C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000522925638 516352139 /nfs/dbraw/zinc/35/21/39/516352139.db2.gz ZFHJKLXBZJTLNG-LBPRGKRZSA-N 1 2 374.788 2.533 20 5 FFBDLO C[C@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000535432037 516352364 /nfs/dbraw/zinc/35/23/64/516352364.db2.gz GEFGYLWAPRGSMW-YOEHRIQHSA-N 1 2 357.414 2.627 20 5 FFBDLO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)c2)C[C@H](C)O1 ZINC000523128953 516393546 /nfs/dbraw/zinc/39/35/46/516393546.db2.gz AMEVIWHJLJGGMZ-BETUJISGSA-N 1 2 358.398 2.784 20 5 FFBDLO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)c2)C[C@H](C)O1 ZINC000523128953 516393554 /nfs/dbraw/zinc/39/35/54/516393554.db2.gz AMEVIWHJLJGGMZ-BETUJISGSA-N 1 2 358.398 2.784 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000554376256 516412981 /nfs/dbraw/zinc/41/29/81/516412981.db2.gz LLIMNRVAFOUAAZ-RBUKOAKNSA-N 1 2 366.421 2.611 20 5 FFBDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)CC2 ZINC000540044543 516417480 /nfs/dbraw/zinc/41/74/80/516417480.db2.gz GYLPJVQCVCQIEJ-UHFFFAOYSA-N 1 2 356.378 2.948 20 5 FFBDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)CC2 ZINC000540044543 516417488 /nfs/dbraw/zinc/41/74/88/516417488.db2.gz GYLPJVQCVCQIEJ-UHFFFAOYSA-N 1 2 356.378 2.948 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)c1C ZINC000554809944 516646767 /nfs/dbraw/zinc/64/67/67/516646767.db2.gz MJWGNSSMLCYZOW-AWEZNQCLSA-N 1 2 352.416 2.610 20 5 FFBDLO Cc1cc(NC[C@@](C)(O)C(F)(F)F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000536336468 516724375 /nfs/dbraw/zinc/72/43/75/516724375.db2.gz GOEUEECYDLXQMM-CQSZACIVSA-N 1 2 356.304 2.507 20 5 FFBDLO Cc1cc(NC[C@](C)(O)C(F)(F)F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000536336467 516725543 /nfs/dbraw/zinc/72/55/43/516725543.db2.gz GOEUEECYDLXQMM-AWEZNQCLSA-N 1 2 356.304 2.507 20 5 FFBDLO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000554971937 516727293 /nfs/dbraw/zinc/72/72/93/516727293.db2.gz DZJADIUMJPGMJY-SOUVJXGZSA-N 1 2 361.442 2.967 20 5 FFBDLO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000554971937 516727302 /nfs/dbraw/zinc/72/73/02/516727302.db2.gz DZJADIUMJPGMJY-SOUVJXGZSA-N 1 2 361.442 2.967 20 5 FFBDLO O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000518793228 516778664 /nfs/dbraw/zinc/77/86/64/516778664.db2.gz FOFYGSZMLPFYSX-GOSISDBHSA-N 1 2 373.384 2.537 20 5 FFBDLO C[C@@H](C(=O)NCc1[nH+]ccn1CC(F)(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000544492629 516781795 /nfs/dbraw/zinc/78/17/95/516781795.db2.gz IFXUWEAYDVIHHN-SECBINFHSA-N 1 2 374.294 2.913 20 5 FFBDLO C[C@H](C(=O)NCc1[nH+]ccn1CC(F)(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000544492640 516781906 /nfs/dbraw/zinc/78/19/06/516781906.db2.gz IFXUWEAYDVIHHN-VIFPVBQESA-N 1 2 374.294 2.913 20 5 FFBDLO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513998569 516827398 /nfs/dbraw/zinc/82/73/98/516827398.db2.gz DDAGOCHOPDXZCM-INIZCTEOSA-N 1 2 359.813 2.964 20 5 FFBDLO CC(C)c1n[nH]c(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1[N+](=O)[O-] ZINC000541238130 516943560 /nfs/dbraw/zinc/94/35/60/516943560.db2.gz PGPHUIVZMCRENE-UHFFFAOYSA-N 1 2 374.445 2.970 20 5 FFBDLO CC(C)c1[nH]nc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1[N+](=O)[O-] ZINC000541238130 516943566 /nfs/dbraw/zinc/94/35/66/516943566.db2.gz PGPHUIVZMCRENE-UHFFFAOYSA-N 1 2 374.445 2.970 20 5 FFBDLO C[C@@H]1C[C@H](NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c2[nH+]ccn21 ZINC000514713837 517018509 /nfs/dbraw/zinc/01/85/09/517018509.db2.gz HHPRZRCYEJBDBY-BZNIZROVSA-N 1 2 368.397 2.820 20 5 FFBDLO COc1cc(C(=O)Nc2ccc3[nH+]c(C)cn3c2)cc([N+](=O)[O-])c1OC ZINC000525536889 517069475 /nfs/dbraw/zinc/06/94/75/517069475.db2.gz RGISNAPLMQIACN-UHFFFAOYSA-N 1 2 356.338 2.820 20 5 FFBDLO CCn1nc(C)c(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c1C ZINC000515204911 517252310 /nfs/dbraw/zinc/25/23/10/517252310.db2.gz GSOVYBXGLXSCND-UHFFFAOYSA-N 1 2 368.397 2.544 20 5 FFBDLO COCCOc1ccccc1N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000533538023 517513250 /nfs/dbraw/zinc/51/32/50/517513250.db2.gz ZQAMHGLNCBUSIT-UHFFFAOYSA-N 1 2 371.437 2.942 20 5 FFBDLO COc1cc(C[NH2+][C@@H](CO)c2ccccc2OC)c([N+](=O)[O-])cc1F ZINC000546629225 517765101 /nfs/dbraw/zinc/76/51/01/517765101.db2.gz KZSSXWZVLMNHIJ-AWEZNQCLSA-N 1 2 350.346 2.574 20 5 FFBDLO Cn1c2ccccc2[nH+]c1N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000534243561 517801854 /nfs/dbraw/zinc/80/18/54/517801854.db2.gz BLPSGYPFYMUKOG-UHFFFAOYSA-N 1 2 371.422 2.505 20 5 FFBDLO CCC(CC)[C@@H](C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000539364308 518009737 /nfs/dbraw/zinc/00/97/37/518009737.db2.gz ZVSYRWRYKAHQQP-KDOFPFPSSA-N 1 2 363.458 2.909 20 5 FFBDLO O=C(CNc1ccccc1[N+](=O)[O-])NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000539773618 518158287 /nfs/dbraw/zinc/15/82/87/518158287.db2.gz KUAYQDVZBPWFNJ-UHFFFAOYSA-N 1 2 351.366 2.713 20 5 FFBDLO CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccn3cc[nH+]c3c2)cc1OC ZINC000564313010 518394514 /nfs/dbraw/zinc/39/45/14/518394514.db2.gz KBHDBQYRZCABLT-UHFFFAOYSA-N 1 2 356.338 2.902 20 5 FFBDLO COc1c(C)[nH+]c(C2CC2)nc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000584690605 518430450 /nfs/dbraw/zinc/43/04/50/518430450.db2.gz UAQIZSQCXOBNIC-UHFFFAOYSA-N 1 2 369.425 2.906 20 5 FFBDLO Cc1c(CNC(=O)N2CC[NH+](Cc3ccsc3)CC2)cccc1[N+](=O)[O-] ZINC000573269232 518585157 /nfs/dbraw/zinc/58/51/57/518585157.db2.gz XGBPCGQIYUIMSU-UHFFFAOYSA-N 1 2 374.466 2.992 20 5 FFBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCc2ccc(F)c(F)c2C1 ZINC000582203470 518634811 /nfs/dbraw/zinc/63/48/11/518634811.db2.gz GCOKLYGYHCYTQG-CYBMUJFWSA-N 1 2 364.348 2.671 20 5 FFBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCc2ccc(F)c(F)c2C1 ZINC000582203470 518634816 /nfs/dbraw/zinc/63/48/16/518634816.db2.gz GCOKLYGYHCYTQG-CYBMUJFWSA-N 1 2 364.348 2.671 20 5 FFBDLO Cc1ccc2[nH+]c(CNC(=O)CSc3ccc([N+](=O)[O-])cc3)cn2c1 ZINC000573431617 518660713 /nfs/dbraw/zinc/66/07/13/518660713.db2.gz RQDOZJDHMLJZCE-UHFFFAOYSA-N 1 2 356.407 2.959 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCO[C@H](c3ccccc3)C2)c1 ZINC000589494351 519017136 /nfs/dbraw/zinc/01/71/36/519017136.db2.gz PMULCHMZEQJTOU-SFHVURJKSA-N 1 2 356.378 2.955 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCO[C@H](c3ccccc3)C2)c1 ZINC000589494351 519017145 /nfs/dbraw/zinc/01/71/45/519017145.db2.gz PMULCHMZEQJTOU-SFHVURJKSA-N 1 2 356.378 2.955 20 5 FFBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000574230911 519051482 /nfs/dbraw/zinc/05/14/82/519051482.db2.gz DMWVESZDINTYSE-LBPRGKRZSA-N 1 2 373.862 2.543 20 5 FFBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000574230911 519051486 /nfs/dbraw/zinc/05/14/86/519051486.db2.gz DMWVESZDINTYSE-LBPRGKRZSA-N 1 2 373.862 2.543 20 5 FFBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC(F)(F)c1ccccc1 ZINC000574393075 519133886 /nfs/dbraw/zinc/13/38/86/519133886.db2.gz KPFJTGKPOGOTKG-CQSZACIVSA-N 1 2 352.337 2.716 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000569585145 519621333 /nfs/dbraw/zinc/62/13/33/519621333.db2.gz AEXPZYVBVQJBQC-UHFFFAOYSA-N 1 2 364.427 2.503 20 5 FFBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC(F)(F)c1cccc(F)c1 ZINC000594718260 520110666 /nfs/dbraw/zinc/11/06/66/520110666.db2.gz MLIRURPVSZVNJD-AWEZNQCLSA-N 1 2 370.327 2.855 20 5 FFBDLO Cc1cn2cc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)ccc2[nH+]1 ZINC000608879425 520154956 /nfs/dbraw/zinc/15/49/56/520154956.db2.gz SXCQVPOJUBBGOW-UHFFFAOYSA-N 1 2 354.322 2.574 20 5 FFBDLO Cc1ccc(Cc2noc([C@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)n2)c[nH+]1 ZINC000612908515 520213587 /nfs/dbraw/zinc/21/35/87/520213587.db2.gz LIRSQKWMGDEMQW-LBPRGKRZSA-N 1 2 367.365 2.763 20 5 FFBDLO C[C@@H]1C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC2(CCCC2)O1 ZINC000592192666 520257763 /nfs/dbraw/zinc/25/77/63/520257763.db2.gz JGXCRHUBFCLDTG-RHSMWYFYSA-N 1 2 359.426 2.734 20 5 FFBDLO C[C@@H]1C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC2(CCCC2)O1 ZINC000592192666 520257768 /nfs/dbraw/zinc/25/77/68/520257768.db2.gz JGXCRHUBFCLDTG-RHSMWYFYSA-N 1 2 359.426 2.734 20 5 FFBDLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609442842 520312424 /nfs/dbraw/zinc/31/24/24/520312424.db2.gz RBIOCWHOCJLZGU-UHFFFAOYSA-N 1 2 359.357 2.818 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000603834652 520370725 /nfs/dbraw/zinc/37/07/25/520370725.db2.gz YKKBMAMTCBRQKF-HNNXBMFYSA-N 1 2 369.425 2.820 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000603834652 520370733 /nfs/dbraw/zinc/37/07/33/520370733.db2.gz YKKBMAMTCBRQKF-HNNXBMFYSA-N 1 2 369.425 2.820 20 5 FFBDLO COc1cccc([C@@H](C)[NH+]2CCN(Cc3onc(C)c3[N+](=O)[O-])CC2)c1 ZINC000595305184 520397818 /nfs/dbraw/zinc/39/78/18/520397818.db2.gz XZJDQZKWVXTWFE-CQSZACIVSA-N 1 2 360.414 2.779 20 5 FFBDLO CNc1c(C(=O)NCCc2cn3cccc(C)c3[nH+]2)cccc1[N+](=O)[O-] ZINC000613235954 520402104 /nfs/dbraw/zinc/40/21/04/520402104.db2.gz DWCJAUIEQKQGMH-UHFFFAOYSA-N 1 2 353.382 2.565 20 5 FFBDLO C[C@H](C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[nH][nH]1)[NH+]1CCCCCC1 ZINC000609842888 520453212 /nfs/dbraw/zinc/45/32/12/520453212.db2.gz CIVWTUKLXKMBQQ-CYBMUJFWSA-N 1 2 357.414 2.610 20 5 FFBDLO COC(=O)c1cc(-c2ccc(NCC3CCOCC3)[nH+]c2)cc([N+](=O)[O-])c1 ZINC000600787660 520469925 /nfs/dbraw/zinc/46/99/25/520469925.db2.gz CTZBNUYINRDLOD-UHFFFAOYSA-N 1 2 371.393 2.704 20 5 FFBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)NCc1ccc[nH+]c1N1CCCC1 ZINC000595449498 520477593 /nfs/dbraw/zinc/47/75/93/520477593.db2.gz BZNHNKOHCAFSTF-UHFFFAOYSA-N 1 2 355.398 2.589 20 5 FFBDLO O=C(Nc1ccc2[nH+]ccn2c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000610026565 520511695 /nfs/dbraw/zinc/51/16/95/520511695.db2.gz NBHDJAWAQBMYRD-UHFFFAOYSA-N 1 2 366.381 2.597 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC(c2ccon2)CC1 ZINC000598401511 520600353 /nfs/dbraw/zinc/60/03/53/520600353.db2.gz UYFIDYVFRZLQPN-UHFFFAOYSA-N 1 2 367.365 2.788 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cscn2)c([N+](=O)[O-])c1 ZINC000595666806 520633386 /nfs/dbraw/zinc/63/33/86/520633386.db2.gz CSNKSKPSCRRTCB-VHSXEESVSA-N 1 2 350.400 2.738 20 5 FFBDLO C[C@@H](CO)[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595673076 520636394 /nfs/dbraw/zinc/63/63/94/520636394.db2.gz JXDNRDPJEJZOLE-XHDPSFHLSA-N 1 2 355.822 2.670 20 5 FFBDLO C[C@@H](CO)[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595673076 520636400 /nfs/dbraw/zinc/63/64/00/520636400.db2.gz JXDNRDPJEJZOLE-XHDPSFHLSA-N 1 2 355.822 2.670 20 5 FFBDLO COc1cc(OC)c(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1F ZINC000601149588 520661840 /nfs/dbraw/zinc/66/18/40/520661840.db2.gz OMCHRJUURZGGOP-GOSISDBHSA-N 1 2 364.373 2.748 20 5 FFBDLO CN(C)c1cccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000610391549 520663287 /nfs/dbraw/zinc/66/32/87/520663287.db2.gz FKVGLEGYQQJOIM-UHFFFAOYSA-N 1 2 368.437 2.619 20 5 FFBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000617751436 520701723 /nfs/dbraw/zinc/70/17/23/520701723.db2.gz TYXNZOPTQGJNQM-CYBMUJFWSA-N 1 2 370.409 2.877 20 5 FFBDLO Cn1cc[nH+]c1C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccccc1 ZINC000610524883 520727381 /nfs/dbraw/zinc/72/73/81/520727381.db2.gz DCEUSXXHQCWNSU-OAHLLOKOSA-N 1 2 365.393 2.624 20 5 FFBDLO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000595823709 520747361 /nfs/dbraw/zinc/74/73/61/520747361.db2.gz PPQUWUNNLIFCMY-CYBMUJFWSA-N 1 2 374.363 2.801 20 5 FFBDLO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000595823709 520747365 /nfs/dbraw/zinc/74/73/65/520747365.db2.gz PPQUWUNNLIFCMY-CYBMUJFWSA-N 1 2 374.363 2.801 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCn2c(nnc2C(C)(C)C)C1 ZINC000595890713 520796897 /nfs/dbraw/zinc/79/68/97/520796897.db2.gz FBSNCYONIQRLRE-UHFFFAOYSA-N 1 2 359.430 2.898 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCn2c(nnc2C(C)(C)C)C1 ZINC000595890713 520796902 /nfs/dbraw/zinc/79/69/02/520796902.db2.gz FBSNCYONIQRLRE-UHFFFAOYSA-N 1 2 359.430 2.898 20 5 FFBDLO CC(C)O[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000593239179 520850077 /nfs/dbraw/zinc/85/00/77/520850077.db2.gz DRAXFWSTWLNGBK-OAHLLOKOSA-N 1 2 358.398 2.810 20 5 FFBDLO CC[C@@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCN1CC(F)F ZINC000611274773 521074677 /nfs/dbraw/zinc/07/46/77/521074677.db2.gz DKJLONLCRYGVOT-CYBMUJFWSA-N 1 2 371.384 2.527 20 5 FFBDLO CC[C@@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCN1CC(F)F ZINC000611274773 521074684 /nfs/dbraw/zinc/07/46/84/521074684.db2.gz DKJLONLCRYGVOT-CYBMUJFWSA-N 1 2 371.384 2.527 20 5 FFBDLO O=C1N(CCNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@@H]2CCCCN12 ZINC000596534294 521120162 /nfs/dbraw/zinc/12/01/62/521120162.db2.gz LTQFVERUUPNNHU-HNNXBMFYSA-N 1 2 355.398 2.845 20 5 FFBDLO COc1cc(C[NH2+][C@@H](c2ccccc2F)[C@H](C)O)c([N+](=O)[O-])cc1OC ZINC000593656029 521134403 /nfs/dbraw/zinc/13/44/03/521134403.db2.gz AESXKOOLRMLMED-BBATYDOGSA-N 1 2 364.373 2.963 20 5 FFBDLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NCCc1cccc([N+](=O)[O-])c1 ZINC000602129347 521162460 /nfs/dbraw/zinc/16/24/60/521162460.db2.gz DOJMTOVDZBXWBU-ZDUSSCGKSA-N 1 2 356.304 2.644 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000611579183 521232257 /nfs/dbraw/zinc/23/22/57/521232257.db2.gz SPSBNXPTJCZRED-PWSUYJOCSA-N 1 2 373.356 2.634 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000611579183 521232265 /nfs/dbraw/zinc/23/22/65/521232265.db2.gz SPSBNXPTJCZRED-PWSUYJOCSA-N 1 2 373.356 2.634 20 5 FFBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000599464984 521239795 /nfs/dbraw/zinc/23/97/95/521239795.db2.gz ZJPCIEUGIMIKQC-LBPRGKRZSA-N 1 2 373.862 2.543 20 5 FFBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000599464984 521239812 /nfs/dbraw/zinc/23/98/12/521239812.db2.gz ZJPCIEUGIMIKQC-LBPRGKRZSA-N 1 2 373.862 2.543 20 5 FFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC3(CCOCC3)CC[C@@H]2CO)c(F)c1 ZINC000599545510 521286514 /nfs/dbraw/zinc/28/65/14/521286514.db2.gz RJQKGINEZBRLLU-GFCCVEGCSA-N 1 2 356.369 2.627 20 5 FFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC3(CCOCC3)CC[C@@H]2CO)c(F)c1 ZINC000599545510 521286522 /nfs/dbraw/zinc/28/65/22/521286522.db2.gz RJQKGINEZBRLLU-GFCCVEGCSA-N 1 2 356.369 2.627 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000596842091 521326163 /nfs/dbraw/zinc/32/61/63/521326163.db2.gz BNPDSMULZSHIGS-UHFFFAOYSA-N 1 2 371.397 2.920 20 5 FFBDLO CC(C)[N@H+](Cc1cn(C[C@@H]2CCOC2)nn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000602439320 521347576 /nfs/dbraw/zinc/34/75/76/521347576.db2.gz KQWXTDIBTDXEPK-INIZCTEOSA-N 1 2 359.430 2.633 20 5 FFBDLO CC(C)[N@@H+](Cc1cn(C[C@@H]2CCOC2)nn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000602439320 521347584 /nfs/dbraw/zinc/34/75/84/521347584.db2.gz KQWXTDIBTDXEPK-INIZCTEOSA-N 1 2 359.430 2.633 20 5 FFBDLO Cn1cc(C[NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c([N+](=O)[O-])n1 ZINC000602449451 521352220 /nfs/dbraw/zinc/35/22/20/521352220.db2.gz MOGMJNCPUOUPCL-IUCAKERBSA-N 1 2 360.258 2.891 20 5 FFBDLO COC(=O)[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]2CCC[C@H]21 ZINC000599655060 521365316 /nfs/dbraw/zinc/36/53/16/521365316.db2.gz OAXAHCDEQNHEMD-ZENOOKHLSA-N 1 2 358.398 2.635 20 5 FFBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]2CCC[C@H]21 ZINC000599655060 521365321 /nfs/dbraw/zinc/36/53/21/521365321.db2.gz OAXAHCDEQNHEMD-ZENOOKHLSA-N 1 2 358.398 2.635 20 5 FFBDLO O=C(N[C@@H](C1CC1)[C@@H]1CCCCO1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000594069644 521387562 /nfs/dbraw/zinc/38/75/62/521387562.db2.gz CLDASKJDHQKYCE-ROUUACIJSA-N 1 2 370.409 2.858 20 5 FFBDLO CN(c1ccccc1)c1ccc(C[NH2+]Cc2cn(C)nn2)cc1[N+](=O)[O-] ZINC000611931394 521399453 /nfs/dbraw/zinc/39/94/53/521399453.db2.gz QKFFTJVUOHFDFX-UHFFFAOYSA-N 1 2 352.398 2.781 20 5 FFBDLO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599691509 521405914 /nfs/dbraw/zinc/40/59/14/521405914.db2.gz SDLYHODOMAJMHU-QGZVFWFLSA-N 1 2 358.398 2.740 20 5 FFBDLO CC(=O)NC[C@H]1CCCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599691509 521405922 /nfs/dbraw/zinc/40/59/22/521405922.db2.gz SDLYHODOMAJMHU-QGZVFWFLSA-N 1 2 358.398 2.740 20 5 FFBDLO O=[N+]([O-])c1ccc2oc(C[NH2+]Cc3cnn(CC(F)(F)F)c3)nc2c1 ZINC000602576842 521418861 /nfs/dbraw/zinc/41/88/61/521418861.db2.gz QHKCFYDSADGQTF-UHFFFAOYSA-N 1 2 355.276 2.785 20 5 FFBDLO C[C@@H]1CN(c2cccc3cnccc32)CC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602817965 521551734 /nfs/dbraw/zinc/55/17/34/521551734.db2.gz LCFQRSYIVZFXOO-CQSZACIVSA-N 1 2 366.425 2.587 20 5 FFBDLO C[C@@H]1CN(c2cccc3cnccc32)CC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602817965 521551738 /nfs/dbraw/zinc/55/17/38/521551738.db2.gz LCFQRSYIVZFXOO-CQSZACIVSA-N 1 2 366.425 2.587 20 5 FFBDLO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000597258032 521599901 /nfs/dbraw/zinc/59/99/01/521599901.db2.gz KEEKADXLGBRWHZ-UHFFFAOYSA-N 1 2 358.398 2.674 20 5 FFBDLO CC1(C)Cc2n[nH]cc2C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000597258032 521599906 /nfs/dbraw/zinc/59/99/06/521599906.db2.gz KEEKADXLGBRWHZ-UHFFFAOYSA-N 1 2 358.398 2.674 20 5 FFBDLO CC(C)c1ncc(C[N@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cn1 ZINC000619674814 521821172 /nfs/dbraw/zinc/82/11/72/521821172.db2.gz PYFOYPCYKOWSBH-UHFFFAOYSA-N 1 2 358.398 2.911 20 5 FFBDLO CC(C)c1ncc(C[N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cn1 ZINC000619674814 521821179 /nfs/dbraw/zinc/82/11/79/521821179.db2.gz PYFOYPCYKOWSBH-UHFFFAOYSA-N 1 2 358.398 2.911 20 5 FFBDLO CN(C)c1c[nH+]ccc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000619808023 521882028 /nfs/dbraw/zinc/88/20/28/521882028.db2.gz YSNZRRCBDGLAPL-UHFFFAOYSA-N 1 2 355.398 2.674 20 5 FFBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898500441 735371075 /nfs/dbraw/zinc/37/10/75/735371075.db2.gz XDDPCSXXMPNQGF-JKSUJKDBSA-N 1 2 351.422 2.714 20 5 FFBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898500441 735371077 /nfs/dbraw/zinc/37/10/77/735371077.db2.gz XDDPCSXXMPNQGF-JKSUJKDBSA-N 1 2 351.422 2.714 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](CC[S@](=O)c3ccccc3)CC2)cc1 ZINC000104661692 728502602 /nfs/dbraw/zinc/50/26/02/728502602.db2.gz PVBXGKCHNUENGP-RUZDIDTESA-N 1 2 359.451 2.525 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC([N@H+](C)CC(F)F)CC2)c1 ZINC000782341750 738711727 /nfs/dbraw/zinc/71/17/27/738711727.db2.gz QMSSEXIHZPTZFF-UHFFFAOYSA-N 1 2 357.357 2.547 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC([N@@H+](C)CC(F)F)CC2)c1 ZINC000782341750 738711730 /nfs/dbraw/zinc/71/17/30/738711730.db2.gz QMSSEXIHZPTZFF-UHFFFAOYSA-N 1 2 357.357 2.547 20 5 FFBDLO C[C@@H](CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000731976183 734710607 /nfs/dbraw/zinc/71/06/07/734710607.db2.gz NFNURNMGKUICTI-JTQLQIEISA-N 1 2 374.369 2.536 20 5 FFBDLO C[NH+](C)Cc1csc(CNc2ncnc3sc([N+](=O)[O-])cc32)n1 ZINC000895480584 735012739 /nfs/dbraw/zinc/01/27/39/735012739.db2.gz IZJKVPJUBDBFNI-UHFFFAOYSA-N 1 2 350.429 2.730 20 5 FFBDLO O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000764298299 737009467 /nfs/dbraw/zinc/00/94/67/737009467.db2.gz KZACXQAECWPPGS-HUUCEWRRSA-N 1 2 367.833 2.621 20 5 FFBDLO CC1(C)C[N@H+](CCNc2cc(Br)ccc2[N+](=O)[O-])CCO1 ZINC000765490520 737124210 /nfs/dbraw/zinc/12/42/10/737124210.db2.gz UGXQQJNIEZOESQ-UHFFFAOYSA-N 1 2 358.236 2.880 20 5 FFBDLO CC1(C)C[N@@H+](CCNc2cc(Br)ccc2[N+](=O)[O-])CCO1 ZINC000765490520 737124213 /nfs/dbraw/zinc/12/42/13/737124213.db2.gz UGXQQJNIEZOESQ-UHFFFAOYSA-N 1 2 358.236 2.880 20 5 FFBDLO C[N@@H+]1CCc2nc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)sc2C1 ZINC000911592397 737214340 /nfs/dbraw/zinc/21/43/40/737214340.db2.gz YPRXULROSBWKDV-UHFFFAOYSA-N 1 2 352.803 2.945 20 5 FFBDLO C[N@H+]1CCc2nc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)sc2C1 ZINC000911592397 737214342 /nfs/dbraw/zinc/21/43/42/737214342.db2.gz YPRXULROSBWKDV-UHFFFAOYSA-N 1 2 352.803 2.945 20 5 FFBDLO COC(=O)CC1CC[NH+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 ZINC000774635926 738007772 /nfs/dbraw/zinc/00/77/72/738007772.db2.gz SWPHPNAAAWYDGL-UHFFFAOYSA-N 1 2 366.805 2.831 20 5 FFBDLO O=C(C[N@@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000931913295 739351883 /nfs/dbraw/zinc/35/18/83/739351883.db2.gz HVNKBCZMXZKVRW-CYBMUJFWSA-N 1 2 361.295 2.900 20 5 FFBDLO O=C(C[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000931913295 739351886 /nfs/dbraw/zinc/35/18/86/739351886.db2.gz HVNKBCZMXZKVRW-CYBMUJFWSA-N 1 2 361.295 2.900 20 5 FFBDLO COc1ccc(NC(=O)C[NH+]2CCC(CSC)CC2)c([N+](=O)[O-])c1 ZINC000932590026 739474183 /nfs/dbraw/zinc/47/41/83/739474183.db2.gz UBSIVBAHLRDACC-UHFFFAOYSA-N 1 2 353.444 2.617 20 5 FFBDLO Cn1c[nH+]cc1CCOC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000793241660 739756625 /nfs/dbraw/zinc/75/66/25/739756625.db2.gz LZYHHXOQMMRUEF-UHFFFAOYSA-N 1 2 360.189 2.552 20 5 FFBDLO COc1cc([N+](=O)[O-])c(C(=O)O[C@H]2CC[N@H+](CCF)C2)cc1SC ZINC000802236285 740688375 /nfs/dbraw/zinc/68/83/75/740688375.db2.gz XPNWUVDOMXMMFJ-JTQLQIEISA-N 1 2 358.391 2.526 20 5 FFBDLO COc1cc([N+](=O)[O-])c(C(=O)O[C@H]2CC[N@@H+](CCF)C2)cc1SC ZINC000802236285 740688378 /nfs/dbraw/zinc/68/83/78/740688378.db2.gz XPNWUVDOMXMMFJ-JTQLQIEISA-N 1 2 358.391 2.526 20 5 FFBDLO O=C(O[C@@H]1CC[N@H+](CCF)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000802236641 740688468 /nfs/dbraw/zinc/68/84/68/740688468.db2.gz NYMFMNYRVVQZCO-SNVBAGLBSA-N 1 2 350.268 2.814 20 5 FFBDLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000802236641 740688471 /nfs/dbraw/zinc/68/84/71/740688471.db2.gz NYMFMNYRVVQZCO-SNVBAGLBSA-N 1 2 350.268 2.814 20 5 FFBDLO Cc1nn(C[N@H+]2C[C@@H](C(=O)OC(C)(C)C)CC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000817363569 742130099 /nfs/dbraw/zinc/13/00/99/742130099.db2.gz GGBIUEXHOOWIQG-RISCZKNCSA-N 1 2 352.435 2.808 20 5 FFBDLO Cc1nn(C[N@@H+]2C[C@@H](C(=O)OC(C)(C)C)CC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000817363569 742130103 /nfs/dbraw/zinc/13/01/03/742130103.db2.gz GGBIUEXHOOWIQG-RISCZKNCSA-N 1 2 352.435 2.808 20 5 FFBDLO Cc1nn(C[N@H+]2C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000817363568 742130434 /nfs/dbraw/zinc/13/04/34/742130434.db2.gz GGBIUEXHOOWIQG-FZMZJTMJSA-N 1 2 352.435 2.808 20 5 FFBDLO Cc1nn(C[N@@H+]2C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000817363568 742130437 /nfs/dbraw/zinc/13/04/37/742130437.db2.gz GGBIUEXHOOWIQG-FZMZJTMJSA-N 1 2 352.435 2.808 20 5 FFBDLO Cc1nn(C[N@@H+]2C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000817369548 742131752 /nfs/dbraw/zinc/13/17/52/742131752.db2.gz CFGNHSOPPZWFSB-BXUZGUMPSA-N 1 2 352.435 2.665 20 5 FFBDLO Cc1nn(C[N@H+]2C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000817369548 742131754 /nfs/dbraw/zinc/13/17/54/742131754.db2.gz CFGNHSOPPZWFSB-BXUZGUMPSA-N 1 2 352.435 2.665 20 5 FFBDLO Cc1cc(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1[NH+](C)C ZINC000819407826 742386962 /nfs/dbraw/zinc/38/69/62/742386962.db2.gz CLKLJMXQOMEKOK-UHFFFAOYSA-N 1 2 363.439 2.855 20 5 FFBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc(Cl)c1 ZINC001039583531 742993049 /nfs/dbraw/zinc/99/30/49/742993049.db2.gz QKZRCKYPWLSVJR-YYIAUSFCSA-N 1 2 363.845 2.571 20 5 FFBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(Cl)c1 ZINC001039583531 742993055 /nfs/dbraw/zinc/99/30/55/742993055.db2.gz QKZRCKYPWLSVJR-YYIAUSFCSA-N 1 2 363.845 2.571 20 5 FFBDLO O=C(O[C@H]1CC[N@H+](CCF)C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000835372428 746004841 /nfs/dbraw/zinc/00/48/41/746004841.db2.gz URIZHCLQXZORIL-JTQLQIEISA-N 1 2 350.268 2.814 20 5 FFBDLO O=C(O[C@H]1CC[N@@H+](CCF)C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000835372428 746004843 /nfs/dbraw/zinc/00/48/43/746004843.db2.gz URIZHCLQXZORIL-JTQLQIEISA-N 1 2 350.268 2.814 20 5 FFBDLO CNC(=O)CC1CC[NH+](Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000839505004 746842719 /nfs/dbraw/zinc/84/27/19/746842719.db2.gz NTVKDDMBSOSVBS-UHFFFAOYSA-N 1 2 370.247 2.705 20 5 FFBDLO Cc1noc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000851847485 749702379 /nfs/dbraw/zinc/70/23/79/749702379.db2.gz FPOXUYVTTMFRTO-ZYHUDNBSSA-N 1 2 354.407 2.626 20 5 FFBDLO Cc1noc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000851847485 749702386 /nfs/dbraw/zinc/70/23/86/749702386.db2.gz FPOXUYVTTMFRTO-ZYHUDNBSSA-N 1 2 354.407 2.626 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCn2ncc(Br)c2C1 ZINC000852625652 749906995 /nfs/dbraw/zinc/90/69/95/749906995.db2.gz DWRDCPUTKISNGG-UHFFFAOYSA-N 1 2 367.203 2.578 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCn2ncc(Br)c2C1 ZINC000852625652 749906999 /nfs/dbraw/zinc/90/69/99/749906999.db2.gz DWRDCPUTKISNGG-UHFFFAOYSA-N 1 2 367.203 2.578 20 5 FFBDLO COc1ccc(Cn2cc(C[NH2+]Cc3cccc([N+](=O)[O-])c3C)nn2)cc1 ZINC000873113782 1013389020 /nfs/dbraw/zinc/38/90/20/1013389020.db2.gz KOERZVSLVVFESD-UHFFFAOYSA-N 1 2 367.409 2.841 20 5 FFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1F)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000126385407 964141962 /nfs/dbraw/zinc/14/19/62/964141962.db2.gz NYYGAEGZUXLPKF-UHFFFAOYSA-N 1 2 358.373 2.588 20 5 FFBDLO COc1cc(C[N@H+](C)Cc2ccc(O)c(OC)c2[N+](=O)[O-])cc(OC)c1 ZINC000891672294 964775967 /nfs/dbraw/zinc/77/59/67/964775967.db2.gz YFIAQIIWZXUJFU-UHFFFAOYSA-N 1 2 362.382 2.958 20 5 FFBDLO COc1cc(C[N@@H+](C)Cc2ccc(O)c(OC)c2[N+](=O)[O-])cc(OC)c1 ZINC000891672294 964775976 /nfs/dbraw/zinc/77/59/76/964775976.db2.gz YFIAQIIWZXUJFU-UHFFFAOYSA-N 1 2 362.382 2.958 20 5 FFBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000026233100 980728235 /nfs/dbraw/zinc/72/82/35/980728235.db2.gz IFSBANBQHXXVLF-OAHLLOKOSA-N 1 2 365.389 2.855 20 5 FFBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000026233100 980728239 /nfs/dbraw/zinc/72/82/39/980728239.db2.gz IFSBANBQHXXVLF-OAHLLOKOSA-N 1 2 365.389 2.855 20 5 FFBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000172915755 985719038 /nfs/dbraw/zinc/71/90/38/985719038.db2.gz UHJQRIXVKIBFQO-HNNXBMFYSA-N 1 2 365.389 2.713 20 5 FFBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000172915755 985719046 /nfs/dbraw/zinc/71/90/46/985719046.db2.gz UHJQRIXVKIBFQO-HNNXBMFYSA-N 1 2 365.389 2.713 20 5 FFBDLO CCO[C@H]1C[C@H]([N@H+](C)Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C12CCC2 ZINC000127292065 1015180964 /nfs/dbraw/zinc/18/09/64/1015180964.db2.gz OGMGLSIBPJUWPP-HOTGVXAUSA-N 1 2 361.398 2.740 20 5 FFBDLO CCO[C@H]1C[C@H]([N@@H+](C)Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C12CCC2 ZINC000127292065 1015180972 /nfs/dbraw/zinc/18/09/72/1015180972.db2.gz OGMGLSIBPJUWPP-HOTGVXAUSA-N 1 2 361.398 2.740 20 5 FFBDLO COc1cccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1[N+](=O)[O-] ZINC000193941097 989110166 /nfs/dbraw/zinc/11/01/66/989110166.db2.gz CSSBNHTUKKFGGO-UHFFFAOYSA-N 1 2 356.382 2.529 20 5 FFBDLO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1ccccn1 ZINC001129126833 990428916 /nfs/dbraw/zinc/42/89/16/990428916.db2.gz VGMWXBJSJCXRPH-UHFFFAOYSA-N 1 2 365.393 2.883 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000194705210 990471351 /nfs/dbraw/zinc/47/13/51/990471351.db2.gz VIAAQWFAZZWFPX-OAHLLOKOSA-N 1 2 366.381 2.871 20 5 FFBDLO COc1ccc([C@@H]2COCC[N@@H+]2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000879737960 1015660636 /nfs/dbraw/zinc/66/06/36/1015660636.db2.gz LCPGKVDJCRFSPR-RBUKOAKNSA-N 1 2 358.394 2.710 20 5 FFBDLO COc1ccc([C@@H]2COCC[N@H+]2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000879737960 1015660641 /nfs/dbraw/zinc/66/06/41/1015660641.db2.gz LCPGKVDJCRFSPR-RBUKOAKNSA-N 1 2 358.394 2.710 20 5 FFBDLO O=C(N[C@H](C1CCC1)[C@@H]1CCCO1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001131609827 994456885 /nfs/dbraw/zinc/45/68/85/994456885.db2.gz UXRJGKNTBLOLGH-ZWKOTPCHSA-N 1 2 370.409 2.858 20 5 FFBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1C(=O)C2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000811771828 995238781 /nfs/dbraw/zinc/23/87/81/995238781.db2.gz GHNQJVIINXLKNJ-MSOLQXFVSA-N 1 2 373.453 2.587 20 5 FFBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1C(=O)C2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000811771828 995238790 /nfs/dbraw/zinc/23/87/90/995238790.db2.gz GHNQJVIINXLKNJ-MSOLQXFVSA-N 1 2 373.453 2.587 20 5 FFBDLO C[C@H]1C(=O)CC[C@@H]1CC(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173520 995633711 /nfs/dbraw/zinc/63/37/11/995633711.db2.gz DGKCOKHXEMNMIU-UNEWFSDZSA-N 1 2 360.410 2.718 20 5 FFBDLO C[C@H]1C(=O)CC[C@@H]1CC(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173520 995633713 /nfs/dbraw/zinc/63/37/13/995633713.db2.gz DGKCOKHXEMNMIU-UNEWFSDZSA-N 1 2 360.410 2.718 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)nc1 ZINC000747839747 995634751 /nfs/dbraw/zinc/63/47/51/995634751.db2.gz DIVFLQPWSLLCAB-LBPRGKRZSA-N 1 2 361.333 2.724 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)nc1 ZINC000747839747 995634754 /nfs/dbraw/zinc/63/47/54/995634754.db2.gz DIVFLQPWSLLCAB-LBPRGKRZSA-N 1 2 361.333 2.724 20 5 FFBDLO C[C@H](C[C@@H](O)c1ccco1)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001137274696 1016062464 /nfs/dbraw/zinc/06/24/64/1016062464.db2.gz CQTWAVFBFMQVQF-MLGOLLRUSA-N 1 2 370.365 2.616 20 5 FFBDLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000741149304 999711772 /nfs/dbraw/zinc/71/17/72/999711772.db2.gz XSIGRLPATWEXGS-CQSZACIVSA-N 1 2 360.370 2.562 20 5 FFBDLO CC[N@H+]1CCCC[C@@H]1C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000741149304 999711774 /nfs/dbraw/zinc/71/17/74/999711774.db2.gz XSIGRLPATWEXGS-CQSZACIVSA-N 1 2 360.370 2.562 20 5 FFBDLO O=C(N[C@H](CCO)c1cccs1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000768877810 1000373021 /nfs/dbraw/zinc/37/30/21/1000373021.db2.gz WQSDPMQTPQYPFO-CYBMUJFWSA-N 1 2 372.406 2.696 20 5 FFBDLO Cc1nc([N+](=O)[O-])c(-c2noc(-c3ccc(-n4cc[nH+]c4)cc3)n2)n1C ZINC000771464517 1001130798 /nfs/dbraw/zinc/13/07/98/1001130798.db2.gz RDJLONMKFCCDRR-UHFFFAOYSA-N 1 2 351.326 2.539 20 5 FFBDLO CCOc1cc(C(=O)OCCCc2[nH+]ccn2C)c([N+](=O)[O-])cc1OC ZINC000788044495 1001748434 /nfs/dbraw/zinc/74/84/34/1001748434.db2.gz ZCTMTYJSUOVXFO-UHFFFAOYSA-N 1 2 363.370 2.525 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)c1F ZINC000788308380 1001789394 /nfs/dbraw/zinc/78/93/94/1001789394.db2.gz OVYMYKZSUFRAAS-UHFFFAOYSA-N 1 2 374.372 2.835 20 5 FFBDLO O=C(O[C@H](C(F)F)[C@H]1CCCO1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000774450524 1001915642 /nfs/dbraw/zinc/91/56/42/1001915642.db2.gz PVIVXAXWWACUBT-KGLIPLIRSA-N 1 2 367.308 2.750 20 5 FFBDLO C[C@@H]1C[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC2(CCOCC2)O1 ZINC000790383044 1002347444 /nfs/dbraw/zinc/34/74/44/1002347444.db2.gz APVJPIWWVINPOY-OAHLLOKOSA-N 1 2 372.425 2.686 20 5 FFBDLO C[C@@H]1C[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC2(CCOCC2)O1 ZINC000790383044 1002347459 /nfs/dbraw/zinc/34/74/59/1002347459.db2.gz APVJPIWWVINPOY-OAHLLOKOSA-N 1 2 372.425 2.686 20 5 FFBDLO C[C@@H]1C[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC2(CCOCC2)O1 ZINC000790393998 1002351494 /nfs/dbraw/zinc/35/14/94/1002351494.db2.gz WDKGSXIULKQFDX-OAHLLOKOSA-N 1 2 372.425 2.686 20 5 FFBDLO C[C@@H]1C[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC2(CCOCC2)O1 ZINC000790393998 1002351504 /nfs/dbraw/zinc/35/15/04/1002351504.db2.gz WDKGSXIULKQFDX-OAHLLOKOSA-N 1 2 372.425 2.686 20 5 FFBDLO Nc1ccc(CCC(=O)n2c3ccccc3cc3c(=O)c(N)ccc2-3)c[nH+]1 ZINC001183935411 1002433752 /nfs/dbraw/zinc/43/37/52/1002433752.db2.gz XEZFSVSAFVVBGZ-UHFFFAOYSA-N 1 2 358.401 2.939 20 5 FFBDLO COc1ccc(C[C@@H](C)[NH2+]Cc2noc(C(F)(F)F)n2)c([N+](=O)[O-])c1 ZINC001170308126 1003119805 /nfs/dbraw/zinc/11/98/05/1003119805.db2.gz KQKGXZDXHAGPHV-MRVPVSSYSA-N 1 2 360.292 2.726 20 5 FFBDLO COc1ccc(C[C@H](C)[NH+]2CC(N3CCC(F)(F)CC3)C2)c([N+](=O)[O-])c1 ZINC001170347164 1003133852 /nfs/dbraw/zinc/13/38/52/1003133852.db2.gz QYOLAQZXEQXGCC-ZDUSSCGKSA-N 1 2 369.412 2.950 20 5 FFBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1CCN(c2ccccc2)C1=O ZINC000808186592 1004769148 /nfs/dbraw/zinc/76/91/48/1004769148.db2.gz WWSAQFCVTIDAHS-UHFFFAOYSA-N 1 2 354.410 2.969 20 5 FFBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1CCN(c2ccccc2)C1=O ZINC000808186592 1004769153 /nfs/dbraw/zinc/76/91/53/1004769153.db2.gz WWSAQFCVTIDAHS-UHFFFAOYSA-N 1 2 354.410 2.969 20 5 FFBDLO CN(C)c1ccccc1C[N@H+](C)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000808235397 1004786102 /nfs/dbraw/zinc/78/61/02/1004786102.db2.gz OEKNZKIMUPMZOK-UHFFFAOYSA-N 1 2 356.382 2.658 20 5 FFBDLO CN(C)c1ccccc1C[N@@H+](C)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000808235397 1004786110 /nfs/dbraw/zinc/78/61/10/1004786110.db2.gz OEKNZKIMUPMZOK-UHFFFAOYSA-N 1 2 356.382 2.658 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(OC[C@H]4CCCO4)CC3)nc2c1 ZINC000776102220 1005124822 /nfs/dbraw/zinc/12/48/22/1005124822.db2.gz NSVXXLVFCDBEDJ-OAHLLOKOSA-N 1 2 360.414 2.631 20 5 FFBDLO Cc1cccc(NC(=O)C[N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000776578525 1005959147 /nfs/dbraw/zinc/95/91/47/1005959147.db2.gz GESWMZBTOQNMIJ-GOSISDBHSA-N 1 2 357.410 2.816 20 5 FFBDLO Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000776578525 1005959152 /nfs/dbraw/zinc/95/91/52/1005959152.db2.gz GESWMZBTOQNMIJ-GOSISDBHSA-N 1 2 357.410 2.816 20 5 FFBDLO Cc1cccc(C)c1NC(=O)C[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579247 1005959765 /nfs/dbraw/zinc/95/97/65/1005959765.db2.gz KKFUUARZZNVIDK-KRWDZBQOSA-N 1 2 357.410 2.816 20 5 FFBDLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579247 1005959771 /nfs/dbraw/zinc/95/97/71/1005959771.db2.gz KKFUUARZZNVIDK-KRWDZBQOSA-N 1 2 357.410 2.816 20 5 FFBDLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776585649 1005976454 /nfs/dbraw/zinc/97/64/54/1005976454.db2.gz YVBBFBZSIKDOPQ-RBUKOAKNSA-N 1 2 372.421 2.734 20 5 FFBDLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776585649 1005976457 /nfs/dbraw/zinc/97/64/57/1005976457.db2.gz YVBBFBZSIKDOPQ-RBUKOAKNSA-N 1 2 372.421 2.734 20 5 FFBDLO C[NH+](C)CCOc1ccc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000776676470 1006390852 /nfs/dbraw/zinc/39/08/52/1006390852.db2.gz MHGHFDXCHDTCKG-BJMVGYQFSA-N 1 2 371.393 2.893 20 5 FFBDLO Cc1ccc(O[C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)nc1 ZINC000858034695 1008284441 /nfs/dbraw/zinc/28/44/41/1008284441.db2.gz CLPULBYIRVBLGV-WMLDXEAASA-N 1 2 370.409 2.779 20 5 FFBDLO Cc1ccc(O[C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)nc1 ZINC000858034695 1008284448 /nfs/dbraw/zinc/28/44/48/1008284448.db2.gz CLPULBYIRVBLGV-WMLDXEAASA-N 1 2 370.409 2.779 20 5 FFBDLO CC(C)(C)OC(=O)C[C@H]([NH3+])c1noc(/C=C/c2ccc([N+](=O)[O-])cc2)n1 ZINC000823401839 1009053453 /nfs/dbraw/zinc/05/34/53/1009053453.db2.gz LEJKHNRHZKKZFT-PPGNKHEKSA-N 1 2 360.370 2.880 20 5 FFBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000120273992 1010604210 /nfs/dbraw/zinc/60/42/10/1010604210.db2.gz KOWZEPIJWNJLPY-AWEZNQCLSA-N 1 2 351.362 2.638 20 5 FFBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000120273992 1010604216 /nfs/dbraw/zinc/60/42/16/1010604216.db2.gz KOWZEPIJWNJLPY-AWEZNQCLSA-N 1 2 351.362 2.638 20 5 FFBDLO Cc1cc(C)c(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)c[nH+]1 ZINC001299356348 1011587590 /nfs/dbraw/zinc/58/75/90/1011587590.db2.gz OBPKQOCATNCQAI-UHFFFAOYSA-N 1 2 352.753 2.911 20 5 FFBDLO O=[N+]([O-])c1ccc2cnn(C[NH+]3CCC(Oc4ncccc4F)CC3)c2c1 ZINC000773349099 1011838729 /nfs/dbraw/zinc/83/87/29/1011838729.db2.gz LULQJHZYUVACBL-UHFFFAOYSA-N 1 2 371.372 2.980 20 5 FFBDLO CCC[N@H+](CC(=O)OCC)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173194889 1012339186 /nfs/dbraw/zinc/33/91/86/1012339186.db2.gz ASKHCFFKQHBWQV-GFCCVEGCSA-N 1 2 356.394 2.949 20 5 FFBDLO CCC[N@@H+](CC(=O)OCC)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173194889 1012339206 /nfs/dbraw/zinc/33/92/06/1012339206.db2.gz ASKHCFFKQHBWQV-GFCCVEGCSA-N 1 2 356.394 2.949 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000470286710 1018950113 /nfs/dbraw/zinc/95/01/13/1018950113.db2.gz NWQQRQBZWGTFAY-CYBMUJFWSA-N 1 2 353.382 2.829 20 5 FFBDLO O=C(CCc1cc(F)ccc1[N+](=O)[O-])NCc1cc[nH+]c(N2CCCC2)c1 ZINC000929672672 1019576982 /nfs/dbraw/zinc/57/69/82/1019576982.db2.gz OFKUDNWBTUTXGG-UHFFFAOYSA-N 1 2 372.400 2.978 20 5 FFBDLO COc1ccc(OCCOC(=O)[C@@H](c2ccccc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000780090677 1020057603 /nfs/dbraw/zinc/05/76/03/1020057603.db2.gz CHBGWTQHEDEWAG-GOSISDBHSA-N 1 2 374.393 2.828 20 5 FFBDLO Cc1cc2nc3nc(=O)[nH]c(O[C@@H]4CC[NH2+]CC[C@@H]4C)c3nc2cc1C ZINC001218023594 1032958629 /nfs/dbraw/zinc/95/86/29/1032958629.db2.gz JPDKJCMFCRCSDC-ZUZCIYMTSA-N 1 2 353.426 2.662 20 5 FFBDLO O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001116779769 1021411221 /nfs/dbraw/zinc/41/12/21/1021411221.db2.gz PUYZWBOZNGUKHI-KRWDZBQOSA-N 1 2 366.377 2.566 20 5 FFBDLO CCCSc1nc(OC2CC3(C2)CC[NH2+]CC3)c([N+](=O)[O-])c(=O)[nH]1 ZINC001218102517 1032996404 /nfs/dbraw/zinc/99/64/04/1032996404.db2.gz ADUXYHWCVPLNJO-UHFFFAOYSA-N 1 2 354.432 2.504 20 5 FFBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001119447308 1022773916 /nfs/dbraw/zinc/77/39/16/1022773916.db2.gz LMPDYJVPCVSWMR-GFCCVEGCSA-N 1 2 361.377 2.954 20 5 FFBDLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1cc(F)ccc1[N+](=O)[O-] ZINC000751306513 1022789877 /nfs/dbraw/zinc/78/98/77/1022789877.db2.gz CSCNVUWKFPMADE-UHFFFAOYSA-N 1 2 354.341 2.909 20 5 FFBDLO Cc1cc2nc3nc(=O)[nH]c(O[C@@H]4CC[NH2+]C(C)(C)C4)c3nc2cc1C ZINC001218471433 1033171382 /nfs/dbraw/zinc/17/13/82/1033171382.db2.gz JYBXNDCQOKWVNC-GFCCVEGCSA-N 1 2 353.426 2.805 20 5 FFBDLO C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000759250329 1024535245 /nfs/dbraw/zinc/53/52/45/1024535245.db2.gz WPGRKMXSURPOSZ-UGSOOPFHSA-N 1 2 369.425 2.771 20 5 FFBDLO CC[C@H]1C[N@H+](Cn2cc([N+](=O)[O-])c(C)n2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000779867958 1025180525 /nfs/dbraw/zinc/18/05/25/1025180525.db2.gz QFEOFKIGKMQURO-KBPBESRZSA-N 1 2 367.450 2.682 20 5 FFBDLO CC[C@H]1C[N@@H+](Cn2cc([N+](=O)[O-])c(C)n2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000779867958 1025180529 /nfs/dbraw/zinc/18/05/29/1025180529.db2.gz QFEOFKIGKMQURO-KBPBESRZSA-N 1 2 367.450 2.682 20 5 FFBDLO CCCCOC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000838101433 1026209063 /nfs/dbraw/zinc/20/90/63/1026209063.db2.gz KPQPJCCRFFZOAK-LBPRGKRZSA-N 1 2 361.354 2.669 20 5 FFBDLO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1NC1CN(c2cccc[nH+]2)C1 ZINC001161322708 1028131915 /nfs/dbraw/zinc/13/19/15/1028131915.db2.gz LMCFGUOWVMCCOQ-UHFFFAOYSA-N 1 2 374.710 2.753 20 5 FFBDLO COc1ccc(Cn2c[nH+]cc2CNc2nc(Cl)ncc2[N+](=O)[O-])cc1 ZINC001161505113 1028206690 /nfs/dbraw/zinc/20/66/90/1028206690.db2.gz NAUBAHVYBOTJRB-UHFFFAOYSA-N 1 2 374.788 2.904 20 5 FFBDLO CCOC(=O)c1ccnc(NCC(C)(C)c2cc(OC)cc[nH+]2)c1[N+](=O)[O-] ZINC001162131376 1028444928 /nfs/dbraw/zinc/44/49/28/1028444928.db2.gz VVUUJGAQAHCZLH-UHFFFAOYSA-N 1 2 374.397 2.960 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]C[C@@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000780762420 1028798341 /nfs/dbraw/zinc/79/83/41/1028798341.db2.gz GSJUBUQUAHKSAM-MSOLQXFVSA-N 1 2 352.394 2.741 20 5 FFBDLO C[C@@H](CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001163726446 1029043396 /nfs/dbraw/zinc/04/33/96/1029043396.db2.gz PRPRWKGPOKGREH-GARJFASQSA-N 1 2 373.812 2.615 20 5 FFBDLO C[C@@H](CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001163726446 1029043405 /nfs/dbraw/zinc/04/34/05/1029043405.db2.gz PRPRWKGPOKGREH-GARJFASQSA-N 1 2 373.812 2.615 20 5 FFBDLO Cc1cn2cc(NC(=O)[C@@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)ccc2[nH+]1 ZINC000781640448 1029320384 /nfs/dbraw/zinc/32/03/84/1029320384.db2.gz FUNGBSPBDBWMSB-INIZCTEOSA-N 1 2 365.349 2.683 20 5 FFBDLO COc1cc(N2CCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC001158099607 1029734214 /nfs/dbraw/zinc/73/42/14/1029734214.db2.gz NFPOJTOTMBFGRU-UHFFFAOYSA-N 1 2 365.393 2.873 20 5 FFBDLO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCCN(c3ncccc3F)CC2)c1 ZINC000783979717 1030383363 /nfs/dbraw/zinc/38/33/63/1030383363.db2.gz MPBXLQCDYBFVIK-UHFFFAOYSA-N 1 2 370.388 2.648 20 5 FFBDLO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CCCN(c3ncccc3F)CC2)c1 ZINC000783979717 1030383377 /nfs/dbraw/zinc/38/33/77/1030383377.db2.gz MPBXLQCDYBFVIK-UHFFFAOYSA-N 1 2 370.388 2.648 20 5 FFBDLO C[C@H]1COCC[C@@H]1c1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000799675692 1031856831 /nfs/dbraw/zinc/85/68/31/1031856831.db2.gz NAADWASOBCFGBM-AAEUAGOBSA-N 1 2 355.354 2.971 20 5 FFBDLO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(N2CCNC2=O)cc1 ZINC000829751727 1033320925 /nfs/dbraw/zinc/32/09/25/1033320925.db2.gz NRYUIFKERXQLST-GFCCVEGCSA-N 1 2 356.382 2.681 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1F ZINC000831073329 1033939863 /nfs/dbraw/zinc/93/98/63/1033939863.db2.gz SRPBIIYKNWYZKK-NSHDSACASA-N 1 2 362.336 2.585 20 5 FFBDLO CC(C)OC(=O)[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(C)C ZINC000831642549 1034165722 /nfs/dbraw/zinc/16/57/22/1034165722.db2.gz FFVIFBJFWNLGPZ-INIZCTEOSA-N 1 2 369.393 2.628 20 5 FFBDLO Cc1ccnc(O[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC001226120344 1034534661 /nfs/dbraw/zinc/53/46/61/1034534661.db2.gz UJMUHLCANAPBNE-DOTOQJQBSA-N 1 2 357.410 2.967 20 5 FFBDLO Cc1ccnc(O[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC001226120344 1034534667 /nfs/dbraw/zinc/53/46/67/1034534667.db2.gz UJMUHLCANAPBNE-DOTOQJQBSA-N 1 2 357.410 2.967 20 5 FFBDLO O=[N+]([O-])c1cc2c(cc1F)ncnc2OC1C[NH+](Cc2ccccc2)C1 ZINC001226803615 1034848244 /nfs/dbraw/zinc/84/82/44/1034848244.db2.gz DNNAXOOYWARYER-UHFFFAOYSA-N 1 2 354.341 2.940 20 5 FFBDLO COC(=O)[C@H](CC(C)C)OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835167473 1035591822 /nfs/dbraw/zinc/59/18/22/1035591822.db2.gz DZEJMAHKGAWWCL-HNNXBMFYSA-N 1 2 361.354 2.525 20 5 FFBDLO C[C@H](c1ccccn1)[N@@H+]1CCC[C@H](Oc2[nH]cc([N+](=O)[O-])c3ncnc2-3)C1 ZINC001227692265 1035675459 /nfs/dbraw/zinc/67/54/59/1035675459.db2.gz VQNJGUXVZNIZBF-OLZOCXBDSA-N 1 2 368.397 2.866 20 5 FFBDLO C[C@H](c1ccccn1)[N@H+]1CCC[C@H](Oc2[nH]cc([N+](=O)[O-])c3ncnc2-3)C1 ZINC001227692265 1035675466 /nfs/dbraw/zinc/67/54/66/1035675466.db2.gz VQNJGUXVZNIZBF-OLZOCXBDSA-N 1 2 368.397 2.866 20 5 FFBDLO O=[N+]([O-])c1c[nH]c(OC2CC[NH+](Cc3ccccc3)CC2)c2ncnc1-2 ZINC001227693202 1035677469 /nfs/dbraw/zinc/67/74/69/1035677469.db2.gz OETDSPFJFWXUDS-UHFFFAOYSA-N 1 2 353.382 2.910 20 5 FFBDLO CO[C@@H]1C[C@@H](OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C12CCC2 ZINC000835880110 1036063865 /nfs/dbraw/zinc/06/38/65/1036063865.db2.gz APYZTIZXBAEEKL-HZPDHXFCSA-N 1 2 357.366 2.895 20 5 FFBDLO CCCSc1nc(O[C@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229792253 1036898183 /nfs/dbraw/zinc/89/81/83/1036898183.db2.gz POJOQCSUEGSUSF-NSHDSACASA-N 1 2 356.448 2.844 20 5 FFBDLO CCCSc1nc(O[C@H]2CCC[N@H+](C(C)C)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229792253 1036898198 /nfs/dbraw/zinc/89/81/98/1036898198.db2.gz POJOQCSUEGSUSF-NSHDSACASA-N 1 2 356.448 2.844 20 5 FFBDLO CC[N@H+]1CC[C@@H](Oc2c(I)cccc2[N+](=O)[O-])C1 ZINC001229879352 1036956076 /nfs/dbraw/zinc/95/60/76/1036956076.db2.gz AQGXWSAVRZLDGD-SECBINFHSA-N 1 2 362.167 2.672 20 5 FFBDLO CC[N@@H+]1CC[C@@H](Oc2c(I)cccc2[N+](=O)[O-])C1 ZINC001229879352 1036956058 /nfs/dbraw/zinc/95/60/58/1036956058.db2.gz AQGXWSAVRZLDGD-SECBINFHSA-N 1 2 362.167 2.672 20 5 FFBDLO C[N@@H+]1CCC[C@H](Oc2c(O)ccc3c(=O)c4c(O)cc(O)cc4oc32)CC1 ZINC001234751653 1037168779 /nfs/dbraw/zinc/16/87/79/1037168779.db2.gz BVAWYWWRQNHWQG-LBPRGKRZSA-N 1 2 371.389 2.926 20 5 FFBDLO C[N@H+]1CCC[C@H](Oc2c(O)ccc3c(=O)c4c(O)cc(O)cc4oc32)CC1 ZINC001234751653 1037168785 /nfs/dbraw/zinc/16/87/85/1037168785.db2.gz BVAWYWWRQNHWQG-LBPRGKRZSA-N 1 2 371.389 2.926 20 5 FFBDLO COc1cc(N2CCC([N@@H+]3CCCC(=O)[C@H](F)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093118 1038379630 /nfs/dbraw/zinc/37/96/30/1038379630.db2.gz GNGWWWBVQRUILE-OAHLLOKOSA-N 1 2 365.405 2.575 20 5 FFBDLO COc1cc(N2CCC([N@H+]3CCCC(=O)[C@H](F)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093118 1038379641 /nfs/dbraw/zinc/37/96/41/1038379641.db2.gz GNGWWWBVQRUILE-OAHLLOKOSA-N 1 2 365.405 2.575 20 5 FFBDLO Cc1nc(Nc2ccc(N)c([N+](=O)[O-])c2)cc(N2C[C@@H](C)O[C@H](C)C2)[nH+]1 ZINC001209933756 1039295179 /nfs/dbraw/zinc/29/51/79/1039295179.db2.gz CBBCVLUCBHCDLW-GHMZBOCLSA-N 1 2 358.402 2.633 20 5 FFBDLO COC(=O)[C@@](C)(Cc1ccccc1)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254582440 1040815086 /nfs/dbraw/zinc/81/50/86/1040815086.db2.gz UNTZTMWEAPAJTI-YLJYHZDGSA-N 1 2 354.406 2.826 20 5 FFBDLO O=C(Nc1ccccc1)N1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254599049 1040830543 /nfs/dbraw/zinc/83/05/43/1040830543.db2.gz JVZCKCGYMKXOHU-LJQANCHMSA-N 1 2 366.421 2.912 20 5 FFBDLO COc1cc(N2CCC[N@H+](Cc3cc(C)on3)CC2)c([N+](=O)[O-])cc1F ZINC001323803047 1045731570 /nfs/dbraw/zinc/73/15/70/1045731570.db2.gz UKPWZFSBCQZORP-UHFFFAOYSA-N 1 2 364.377 2.751 20 5 FFBDLO COc1cc(N2CCC[N@@H+](Cc3cc(C)on3)CC2)c([N+](=O)[O-])cc1F ZINC001323803047 1045731584 /nfs/dbraw/zinc/73/15/84/1045731584.db2.gz UKPWZFSBCQZORP-UHFFFAOYSA-N 1 2 364.377 2.751 20 5 FFBDLO Cc1cnn(CC2CC2)c1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001325103350 1046374353 /nfs/dbraw/zinc/37/43/53/1046374353.db2.gz DUNGPBAPDBIFOJ-UHFFFAOYSA-N 1 2 366.381 2.948 20 5 FFBDLO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(c2cccc[nH+]2)CC1 ZINC001290039970 1047811770 /nfs/dbraw/zinc/81/17/70/1047811770.db2.gz YQIKHMGVUUZPSO-UHFFFAOYSA-N 1 2 360.801 2.535 20 5 FFBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001329543765 1048765354 /nfs/dbraw/zinc/76/53/54/1048765354.db2.gz YQSQLCOOAGLLCF-CYBMUJFWSA-N 1 2 360.389 2.871 20 5 FFBDLO CC[C@H]1C[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])[C@@H](CC)CN1C(C)=O ZINC001334138351 1049270601 /nfs/dbraw/zinc/27/06/01/1049270601.db2.gz CPLGAQXWKNYTDC-GJZGRUSLSA-N 1 2 365.430 2.530 20 5 FFBDLO CC[C@H]1C[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])[C@@H](CC)CN1C(C)=O ZINC001334138351 1049270615 /nfs/dbraw/zinc/27/06/15/1049270615.db2.gz CPLGAQXWKNYTDC-GJZGRUSLSA-N 1 2 365.430 2.530 20 5 FFBDLO CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001297645438 1050253827 /nfs/dbraw/zinc/25/38/27/1050253827.db2.gz INCOXQXCXQCKEK-UHFFFAOYSA-N 1 2 366.377 2.801 20 5 FFBDLO CN(CC[NH+]1CCN(Cc2ccccc2)CC1)c1ccccc1[N+](=O)[O-] ZINC001307118457 1052253434 /nfs/dbraw/zinc/25/34/34/1052253434.db2.gz KZSNTGOMVLKUJO-UHFFFAOYSA-N 1 2 354.454 2.849 20 5 FFBDLO CCOC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC001308122290 1052412706 /nfs/dbraw/zinc/41/27/06/1052412706.db2.gz NUZYXARYFPHCHJ-LLVKDONJSA-N 1 2 357.204 2.742 20 5 FFBDLO CCOC(=O)[C@@H]1CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC001308122290 1052412704 /nfs/dbraw/zinc/41/27/04/1052412704.db2.gz NUZYXARYFPHCHJ-LLVKDONJSA-N 1 2 357.204 2.742 20 5 FFBDLO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C1(C(=O)OC(C)(C)C)CCCCC1 ZINC001308139349 1052415330 /nfs/dbraw/zinc/41/53/30/1052415330.db2.gz DDIPNKJVKLHAMX-UHFFFAOYSA-N 1 2 352.435 2.734 20 5 FFBDLO COC(=O)C[C@](C)([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1cccnc1 ZINC001308179668 1052428137 /nfs/dbraw/zinc/42/81/37/1052428137.db2.gz JSLCATHTWCNULN-SFHVURJKSA-N 1 2 359.382 2.567 20 5 FFBDLO COc1c(O)ccc(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)c1[N+](=O)[O-] ZINC001308567603 1052471413 /nfs/dbraw/zinc/47/14/13/1052471413.db2.gz IEJPSWZXPLWWEL-FQEVSTJZSA-N 1 2 370.405 2.983 20 5 FFBDLO COc1c(O)ccc(C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)c1[N+](=O)[O-] ZINC001308567603 1052471415 /nfs/dbraw/zinc/47/14/15/1052471415.db2.gz IEJPSWZXPLWWEL-FQEVSTJZSA-N 1 2 370.405 2.983 20 5 FFBDLO COc1cccc([C@@H]2CN(C(=O)c3cc(F)cc(C)c3[N+](=O)[O-])CC[NH2+]2)c1 ZINC001336055498 1053736999 /nfs/dbraw/zinc/73/69/99/1053736999.db2.gz QVDUDDMKEKMUFC-KRWDZBQOSA-N 1 2 373.384 2.838 20 5 FFBDLO Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC001543461129 1071481621 /nfs/dbraw/zinc/48/16/21/1071481621.db2.gz BKWQEPPMXSZQRD-UHFFFAOYSA-N 1 2 367.365 2.705 20 5 FFBDLO O=C(NCCc1ccccc1F)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001351518331 1056303856 /nfs/dbraw/zinc/30/38/56/1056303856.db2.gz CGNLRGSXUPSIHV-UHFFFAOYSA-N 1 2 354.341 2.892 20 5 FFBDLO C[C@@H]1OCC[C@]12C[N@H+](Cn1cc(-c3ccccc3[N+](=O)[O-])cn1)C[C@@H](C)O2 ZINC000848487339 1060133864 /nfs/dbraw/zinc/13/38/64/1060133864.db2.gz QZVUFVCXUWXGDF-VCBZYWHSSA-N 1 2 372.425 2.684 20 5 FFBDLO C[C@@H]1OCC[C@]12C[N@@H+](Cn1cc(-c3ccccc3[N+](=O)[O-])cn1)C[C@@H](C)O2 ZINC000848487339 1060133874 /nfs/dbraw/zinc/13/38/74/1060133874.db2.gz QZVUFVCXUWXGDF-VCBZYWHSSA-N 1 2 372.425 2.684 20 5 FFBDLO CN(C)C(=O)O[C@@H]1CCC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848491116 1060147769 /nfs/dbraw/zinc/14/77/69/1060147769.db2.gz SBPDOXHROGEVNR-OAHLLOKOSA-N 1 2 373.413 2.578 20 5 FFBDLO CN(C)C(=O)O[C@@H]1CCC[N@@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848491116 1060147782 /nfs/dbraw/zinc/14/77/82/1060147782.db2.gz SBPDOXHROGEVNR-OAHLLOKOSA-N 1 2 373.413 2.578 20 5 FFBDLO Cc1cc(NCCNC(=O)c2cccc(C)c2[N+](=O)[O-])nc(C(C)C)[nH+]1 ZINC000600366578 1060316122 /nfs/dbraw/zinc/31/61/22/1060316122.db2.gz PKBULDHMHDSCFE-UHFFFAOYSA-N 1 2 357.414 2.967 20 5 FFBDLO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)c(Br)c1 ZINC001458594954 1060629845 /nfs/dbraw/zinc/62/98/45/1060629845.db2.gz VTJNIGSXEUNXNU-RYUDHWBXSA-N 1 2 373.276 2.744 20 5 FFBDLO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@H+]3CCSC[C@@H]23)c(Br)c1 ZINC001458594954 1060629858 /nfs/dbraw/zinc/62/98/58/1060629858.db2.gz VTJNIGSXEUNXNU-RYUDHWBXSA-N 1 2 373.276 2.744 20 5 FFBDLO Cc1cc(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)cc(C)[nH+]1 ZINC001436880305 1062791321 /nfs/dbraw/zinc/79/13/21/1062791321.db2.gz IQKYXLATMWZSEY-UHFFFAOYSA-N 1 2 369.356 2.861 20 5 FFBDLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001532313617 1063032118 /nfs/dbraw/zinc/03/21/18/1063032118.db2.gz MGXSLRKZNHUVJZ-IBGZPJMESA-N 1 2 369.421 2.534 20 5 FFBDLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001532313617 1063032136 /nfs/dbraw/zinc/03/21/36/1063032136.db2.gz MGXSLRKZNHUVJZ-IBGZPJMESA-N 1 2 369.421 2.534 20 5 FFBDLO COc1cc(CN(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)sn1 ZINC001472101235 1064934197 /nfs/dbraw/zinc/93/41/97/1064934197.db2.gz WMLOWTGTSYFZIK-UHFFFAOYSA-N 1 2 373.394 2.518 20 5 FFBDLO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001560827728 1076302670 /nfs/dbraw/zinc/30/26/70/1076302670.db2.gz XMGGHFMLGZMJTK-CYBMUJFWSA-N 1 2 362.386 2.837 20 5 FFBDLO CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001560827728 1076302674 /nfs/dbraw/zinc/30/26/74/1076302674.db2.gz XMGGHFMLGZMJTK-CYBMUJFWSA-N 1 2 362.386 2.837 20 5 FFBDLO CNc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC001570670273 1077220789 /nfs/dbraw/zinc/22/07/89/1077220789.db2.gz CJRJCECVJLHCQF-LBPRGKRZSA-N 1 2 357.292 2.965 20 5 FFBDLO C[C@H](Cc1cccnc1)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001586276806 1079588353 /nfs/dbraw/zinc/58/83/53/1079588353.db2.gz XEGVVKRLDUTZNJ-CYBMUJFWSA-N 1 2 351.366 2.537 20 5 FFBDLO O=C(Nc1cnn(CC2CC2)c1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001586984465 1079715635 /nfs/dbraw/zinc/71/56/35/1079715635.db2.gz LVZDXJGDUFIIAM-UHFFFAOYSA-N 1 2 352.354 2.639 20 5 FFBDLO O=[N+]([O-])c1cc(I)ccc1NCCn1cc[nH+]c1 ZINC000097347118 250064225 /nfs/dbraw/zinc/06/42/25/250064225.db2.gz RGOMNTBRIHPLPR-UHFFFAOYSA-N 1 2 358.139 2.508 20 5 FFBDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000102860393 250124482 /nfs/dbraw/zinc/12/44/82/250124482.db2.gz YSJWNISTWDBJTA-HNNXBMFYSA-N 1 2 373.409 2.551 20 5 FFBDLO CC[C@@](C)([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1nccs1 ZINC000173514455 251196623 /nfs/dbraw/zinc/19/66/23/251196623.db2.gz MKSKREHGTALEBY-MRXNPFEDSA-N 1 2 364.427 2.913 20 5 FFBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c1C ZINC000272430024 252035858 /nfs/dbraw/zinc/03/58/58/252035858.db2.gz NYEJZPCHPRVYGZ-UHFFFAOYSA-N 1 2 373.365 2.616 20 5 FFBDLO Cc1cc(NC(=O)Cn2cc([N+](=O)[O-])cn2)c[nH+]c1N1CCCC[C@H]1C ZINC000272658736 252093795 /nfs/dbraw/zinc/09/37/95/252093795.db2.gz IDIFTMVSFMVTAR-CYBMUJFWSA-N 1 2 358.402 2.512 20 5 FFBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000275899244 256057631 /nfs/dbraw/zinc/05/76/31/256057631.db2.gz TXZIBHXQWLMTSM-CYBMUJFWSA-N 1 2 360.801 2.960 20 5 FFBDLO COCCO[C@H]1CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000276329535 256090369 /nfs/dbraw/zinc/09/03/69/256090369.db2.gz XTTQBBLGCTYFHC-LBPRGKRZSA-N 1 2 359.220 2.595 20 5 FFBDLO COCCO[C@H]1CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000276329535 256090370 /nfs/dbraw/zinc/09/03/70/256090370.db2.gz XTTQBBLGCTYFHC-LBPRGKRZSA-N 1 2 359.220 2.595 20 5 FFBDLO CCOc1cc(C[N@H+](C)[C@H]2CCCC[C@H]2S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000276838582 256135295 /nfs/dbraw/zinc/13/52/95/256135295.db2.gz BYWGHBXPBSOSGP-DOTOQJQBSA-N 1 2 370.471 2.781 20 5 FFBDLO CCOc1cc(C[N@@H+](C)[C@H]2CCCC[C@H]2S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000276838582 256135297 /nfs/dbraw/zinc/13/52/97/256135297.db2.gz BYWGHBXPBSOSGP-DOTOQJQBSA-N 1 2 370.471 2.781 20 5 FFBDLO CCOc1cc(CN2CC[NH+](Cc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000276862821 256137392 /nfs/dbraw/zinc/13/73/92/256137392.db2.gz GPVNVYMWXAPAHA-UHFFFAOYSA-N 1 2 356.426 2.706 20 5 FFBDLO O=[N+]([O-])c1cc2ccccc2nc1NCc1ccc[nH+]c1N1CCOCC1 ZINC000276620411 256115323 /nfs/dbraw/zinc/11/53/23/256115323.db2.gz MSIUSHUAJDJRFC-UHFFFAOYSA-N 1 2 365.393 2.987 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000277391115 256193037 /nfs/dbraw/zinc/19/30/37/256193037.db2.gz FVYXSKLXKTUNQA-UHFFFAOYSA-N 1 2 359.382 2.896 20 5 FFBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000277699169 256228047 /nfs/dbraw/zinc/22/80/47/256228047.db2.gz XYKKXOJBNBNINX-UHFFFAOYSA-N 1 2 373.457 2.729 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000278885225 256358425 /nfs/dbraw/zinc/35/84/25/256358425.db2.gz UCDKFFJGNUPPOO-JTQLQIEISA-N 1 2 361.320 2.816 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000278885225 256358426 /nfs/dbraw/zinc/35/84/26/256358426.db2.gz UCDKFFJGNUPPOO-JTQLQIEISA-N 1 2 361.320 2.816 20 5 FFBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000281824870 256668361 /nfs/dbraw/zinc/66/83/61/256668361.db2.gz ONCWBHUHYNXBGP-INIZCTEOSA-N 1 2 358.398 2.944 20 5 FFBDLO Cc1nsc(N2CCC[N@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)n1 ZINC000286311731 257030719 /nfs/dbraw/zinc/03/07/19/257030719.db2.gz HECCHOGIBNHRPM-UHFFFAOYSA-N 1 2 369.397 2.745 20 5 FFBDLO Cc1nsc(N2CCC[N@@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)n1 ZINC000286311731 257030720 /nfs/dbraw/zinc/03/07/20/257030720.db2.gz HECCHOGIBNHRPM-UHFFFAOYSA-N 1 2 369.397 2.745 20 5 FFBDLO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000287991854 257137195 /nfs/dbraw/zinc/13/71/95/257137195.db2.gz ADIJWAKMSCGNTC-INIZCTEOSA-N 1 2 359.430 2.605 20 5 FFBDLO CCC[C@]1(CO)CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000288680450 257217797 /nfs/dbraw/zinc/21/77/97/257217797.db2.gz CSEGMYGVEBQEOC-INIZCTEOSA-N 1 2 355.822 2.671 20 5 FFBDLO CCC[C@]1(CO)CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000288680450 257217799 /nfs/dbraw/zinc/21/77/99/257217799.db2.gz CSEGMYGVEBQEOC-INIZCTEOSA-N 1 2 355.822 2.671 20 5 FFBDLO COCc1nc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000289709068 257294796 /nfs/dbraw/zinc/29/47/96/257294796.db2.gz FFTXAWDPBFHVAT-UHFFFAOYSA-N 1 2 373.438 2.888 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000289885607 257304622 /nfs/dbraw/zinc/30/46/22/257304622.db2.gz MQAGCTAIWIMCGU-AWEZNQCLSA-N 1 2 363.805 2.639 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000289885607 257304623 /nfs/dbraw/zinc/30/46/23/257304623.db2.gz MQAGCTAIWIMCGU-AWEZNQCLSA-N 1 2 363.805 2.639 20 5 FFBDLO Cc1cnn([C@@H]2CC[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)c1 ZINC000290002701 257310728 /nfs/dbraw/zinc/31/07/28/257310728.db2.gz TXFYQEOIFJOFOC-OAHLLOKOSA-N 1 2 354.370 2.597 20 5 FFBDLO Cc1cnn([C@@H]2CC[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)c1 ZINC000290002701 257310729 /nfs/dbraw/zinc/31/07/29/257310729.db2.gz TXFYQEOIFJOFOC-OAHLLOKOSA-N 1 2 354.370 2.597 20 5 FFBDLO C[C@H](Nc1cccc(C[N@@H+]2CCNC(=O)C2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000291154177 257388292 /nfs/dbraw/zinc/38/82/92/257388292.db2.gz HONCEPWRQIDMCW-AWEZNQCLSA-N 1 2 354.410 2.700 20 5 FFBDLO C[C@H](Nc1cccc(C[N@H+]2CCNC(=O)C2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000291154177 257388294 /nfs/dbraw/zinc/38/82/94/257388294.db2.gz HONCEPWRQIDMCW-AWEZNQCLSA-N 1 2 354.410 2.700 20 5 FFBDLO C[C@@H](Nc1cccc(C[N@@H+]2CCNC(=O)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000291192380 257390733 /nfs/dbraw/zinc/39/07/33/257390733.db2.gz MDGLJTQOWALOKG-CQSZACIVSA-N 1 2 354.410 2.700 20 5 FFBDLO C[C@@H](Nc1cccc(C[N@H+]2CCNC(=O)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000291192380 257390734 /nfs/dbraw/zinc/39/07/34/257390734.db2.gz MDGLJTQOWALOKG-CQSZACIVSA-N 1 2 354.410 2.700 20 5 FFBDLO Cc1cc(NC(=O)C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)no1 ZINC000293597726 257553609 /nfs/dbraw/zinc/55/36/09/257553609.db2.gz UWKBDDCIXSAYFO-UHFFFAOYSA-N 1 2 372.303 2.981 20 5 FFBDLO Cc1cc(NC(=O)C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)no1 ZINC000293597726 257553610 /nfs/dbraw/zinc/55/36/10/257553610.db2.gz UWKBDDCIXSAYFO-UHFFFAOYSA-N 1 2 372.303 2.981 20 5 FFBDLO COc1cc(CN2CC(C)(C)[C@@H]2c2[nH+]ccn2C)c([N+](=O)[O-])cc1OC ZINC000294823874 257604208 /nfs/dbraw/zinc/60/42/08/257604208.db2.gz PEIPWZYQFSNXNT-INIZCTEOSA-N 1 2 360.414 2.929 20 5 FFBDLO O=C1[C@@H]([NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCN1c1ccccc1 ZINC000301214203 258034389 /nfs/dbraw/zinc/03/43/89/258034389.db2.gz YEMLJHWULBZWMQ-IBGZPJMESA-N 1 2 366.421 2.522 20 5 FFBDLO CCOC1CC(CNc2ccc(Cl)cc2[N+](=O)[O-])([NH+]2CCOCC2)C1 ZINC000302835659 258111989 /nfs/dbraw/zinc/11/19/89/258111989.db2.gz VUKQWLRFBKVHGD-UHFFFAOYSA-N 1 2 369.849 2.930 20 5 FFBDLO CCc1cc(NC[C@@]2(O)CCSC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301487269 258051829 /nfs/dbraw/zinc/05/18/29/258051829.db2.gz YKORRPPDYJADGF-KRWDZBQOSA-N 1 2 360.439 2.894 20 5 FFBDLO COC(=O)c1cc(N[C@H]2CCN(c3cccc[nH+]3)C2)cc(C)c1[N+](=O)[O-] ZINC000301776110 258067267 /nfs/dbraw/zinc/06/72/67/258067267.db2.gz OAQPEIROQFCYLX-ZDUSSCGKSA-N 1 2 356.382 2.776 20 5 FFBDLO O=[N+]([O-])c1cnc2ccc(N3CCC(c4[nH]c5ccccc5[nH+]4)CC3)nn21 ZINC000301826921 258069409 /nfs/dbraw/zinc/06/94/09/258069409.db2.gz FJFXDTLCKAOXON-UHFFFAOYSA-N 1 2 363.381 2.898 20 5 FFBDLO Cc1cc(SCC[NH+]2CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301886888 258072899 /nfs/dbraw/zinc/07/28/99/258072899.db2.gz QNUPKXIYTAQYSP-UHFFFAOYSA-N 1 2 360.439 2.785 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000373070474 512157635 /nfs/dbraw/zinc/15/76/35/512157635.db2.gz ODDNPKXKBRIXAF-AWEZNQCLSA-N 1 2 358.398 2.503 20 5 FFBDLO O=[N+]([O-])c1ccc(OCC[NH+]2CCN(CCOc3ccccc3)CC2)cc1 ZINC000065208834 506269239 /nfs/dbraw/zinc/26/92/39/506269239.db2.gz JCZFWAYLFHHZAQ-UHFFFAOYSA-N 1 2 371.437 2.670 20 5 FFBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000032687796 506279113 /nfs/dbraw/zinc/27/91/13/506279113.db2.gz RHUUCOCWSNSJJC-LBPRGKRZSA-N 1 2 360.439 2.853 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cscn3)CC2)c2ccncc21 ZINC000054636859 506593393 /nfs/dbraw/zinc/59/33/93/506593393.db2.gz PIGJZQNEHBMPAM-UHFFFAOYSA-N 1 2 355.423 2.922 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000008118281 506623920 /nfs/dbraw/zinc/62/39/20/506623920.db2.gz BSRVGYGEDSTOKN-ZDUSSCGKSA-N 1 2 355.394 2.989 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000008118281 506623926 /nfs/dbraw/zinc/62/39/26/506623926.db2.gz BSRVGYGEDSTOKN-ZDUSSCGKSA-N 1 2 355.394 2.989 20 5 FFBDLO CNc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000055696254 506827685 /nfs/dbraw/zinc/82/76/85/506827685.db2.gz MDLZAXHAAPLWGV-UHFFFAOYSA-N 1 2 351.366 2.752 20 5 FFBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000045426017 506964258 /nfs/dbraw/zinc/96/42/58/506964258.db2.gz ZYYJEMPYLRZQDA-UHFFFAOYSA-N 1 2 353.382 2.627 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000016977360 507110947 /nfs/dbraw/zinc/11/09/47/507110947.db2.gz ZFJVJROUPQVTID-INIZCTEOSA-N 1 2 354.341 2.987 20 5 FFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375439024 512327979 /nfs/dbraw/zinc/32/79/79/512327979.db2.gz QLIPQUFXUISNER-WCQYABFASA-N 1 2 371.397 2.672 20 5 FFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375439024 512327983 /nfs/dbraw/zinc/32/79/83/512327983.db2.gz QLIPQUFXUISNER-WCQYABFASA-N 1 2 371.397 2.672 20 5 FFBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000022231158 507285630 /nfs/dbraw/zinc/28/56/30/507285630.db2.gz RPDYJMDYIWFNOG-UHFFFAOYSA-N 1 2 362.817 2.545 20 5 FFBDLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047743132 507387187 /nfs/dbraw/zinc/38/71/87/507387187.db2.gz IYNUCZOQRARTQC-HZPDHXFCSA-N 1 2 360.458 2.506 20 5 FFBDLO C[C@@H](C(=O)Nc1cccc(F)c1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000058288533 507400020 /nfs/dbraw/zinc/40/00/20/507400020.db2.gz NATQWIQBPGPBPE-AWEZNQCLSA-N 1 2 372.400 2.883 20 5 FFBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c3cccnc13)CCC2 ZINC000371350080 512347490 /nfs/dbraw/zinc/34/74/90/512347490.db2.gz PKSOTZYQEQMORC-CYBMUJFWSA-N 1 2 365.393 2.955 20 5 FFBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCCc1cn2ccccc2[nH+]1 ZINC000026747495 507606191 /nfs/dbraw/zinc/60/61/91/507606191.db2.gz QTCNFNNBOYYKJQ-UHFFFAOYSA-N 1 2 367.409 2.794 20 5 FFBDLO CNc1ccc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC000028694777 507738202 /nfs/dbraw/zinc/73/82/02/507738202.db2.gz WZNWWIJBDHFTCV-UHFFFAOYSA-N 1 2 365.393 2.811 20 5 FFBDLO Cc1cccc2nc(C[NH+]3CCN(c4cccc([N+](=O)[O-])c4)CC3)cn21 ZINC000051855714 507787982 /nfs/dbraw/zinc/78/79/82/507787982.db2.gz JZVJNFVPYHVOIM-UHFFFAOYSA-N 1 2 351.410 2.873 20 5 FFBDLO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000030910358 507814772 /nfs/dbraw/zinc/81/47/72/507814772.db2.gz RDQHCDDPQVHQMO-ZACQAIPSSA-N 1 2 374.485 2.800 20 5 FFBDLO C[C@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000052589744 507814965 /nfs/dbraw/zinc/81/49/65/507814965.db2.gz PDQRQTHOCOIFQG-YJBOKZPZSA-N 1 2 363.458 2.738 20 5 FFBDLO C[C@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000052589744 507814966 /nfs/dbraw/zinc/81/49/66/507814966.db2.gz PDQRQTHOCOIFQG-YJBOKZPZSA-N 1 2 363.458 2.738 20 5 FFBDLO C[C@H]1CCCC[C@H]1OCCNC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000052589749 507815013 /nfs/dbraw/zinc/81/50/13/507815013.db2.gz PDQRQTHOCOIFQG-MAUKXSAKSA-N 1 2 363.458 2.738 20 5 FFBDLO C[C@H]1CCCC[C@H]1OCCNC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000052589749 507815014 /nfs/dbraw/zinc/81/50/14/507815014.db2.gz PDQRQTHOCOIFQG-MAUKXSAKSA-N 1 2 363.458 2.738 20 5 FFBDLO Cc1cccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)[NH+]2CCOCC2)c1 ZINC000031999127 507822960 /nfs/dbraw/zinc/82/29/60/507822960.db2.gz DHRPAANKTRIJTC-IBGZPJMESA-N 1 2 369.421 2.707 20 5 FFBDLO CN(C)c1ccccc1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000072685741 507841858 /nfs/dbraw/zinc/84/18/58/507841858.db2.gz SSKBKDKPRQECFD-UHFFFAOYSA-N 1 2 368.437 2.619 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)Cc1cccc(O)c1 ZINC000080924124 508112981 /nfs/dbraw/zinc/11/29/81/508112981.db2.gz GLJNTFCNPHFNDM-LBPRGKRZSA-N 1 2 359.382 2.768 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)Cc1cccc(O)c1 ZINC000080924124 508112983 /nfs/dbraw/zinc/11/29/83/508112983.db2.gz GLJNTFCNPHFNDM-LBPRGKRZSA-N 1 2 359.382 2.768 20 5 FFBDLO Cc1csc(N2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)n1 ZINC000083168546 508238332 /nfs/dbraw/zinc/23/83/32/508238332.db2.gz XYECMAIXWNGVMC-UHFFFAOYSA-N 1 2 359.411 2.823 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc2c(c1)[nH+]cn2C ZINC000083577477 508249192 /nfs/dbraw/zinc/24/91/92/508249192.db2.gz YKRDVPUAAQVUAP-UHFFFAOYSA-N 1 2 360.395 2.899 20 5 FFBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000114704991 508339664 /nfs/dbraw/zinc/33/96/64/508339664.db2.gz IKGOYPMWOYDSHB-ZDUSSCGKSA-N 1 2 358.373 2.648 20 5 FFBDLO O=C(C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N[C@H]1CCOc2ccccc21 ZINC000088606307 508379132 /nfs/dbraw/zinc/37/91/32/508379132.db2.gz MBYBGJATBOYVCF-SFHVURJKSA-N 1 2 367.405 2.593 20 5 FFBDLO O=C(C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N[C@H]1CCOc2ccccc21 ZINC000088606307 508379134 /nfs/dbraw/zinc/37/91/34/508379134.db2.gz MBYBGJATBOYVCF-SFHVURJKSA-N 1 2 367.405 2.593 20 5 FFBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000133761485 508445911 /nfs/dbraw/zinc/44/59/11/508445911.db2.gz VAJVRIWEJNYTBX-UHFFFAOYSA-N 1 2 370.409 2.624 20 5 FFBDLO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000157695574 508598654 /nfs/dbraw/zinc/59/86/54/508598654.db2.gz WUCLJAFOTJGMRQ-UHFFFAOYSA-N 1 2 361.373 2.644 20 5 FFBDLO C[C@@H]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H]1n1cc[nH+]c1 ZINC000128704750 508631868 /nfs/dbraw/zinc/63/18/68/508631868.db2.gz OXFROTKRRLMKLO-ACJLOTCBSA-N 1 2 367.409 2.925 20 5 FFBDLO Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c(C)[nH+]1 ZINC000119136160 508733097 /nfs/dbraw/zinc/73/30/97/508733097.db2.gz YOYGSADMOXAJLQ-ZDUSSCGKSA-N 1 2 374.422 2.911 20 5 FFBDLO C[N@@H+]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)sc2C1 ZINC000129952209 508783156 /nfs/dbraw/zinc/78/31/56/508783156.db2.gz NWBRLQBUNWYLLB-UHFFFAOYSA-N 1 2 369.406 2.840 20 5 FFBDLO C[N@H+]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)sc2C1 ZINC000129952209 508783160 /nfs/dbraw/zinc/78/31/60/508783160.db2.gz NWBRLQBUNWYLLB-UHFFFAOYSA-N 1 2 369.406 2.840 20 5 FFBDLO O=[N+]([O-])c1cccc(N2CCN(c3cc(NCC4CC4)[nH+]cn3)CC2)c1 ZINC000119519206 508811633 /nfs/dbraw/zinc/81/16/33/508811633.db2.gz JZJJLMFCDZISSD-UHFFFAOYSA-N 1 2 354.414 2.533 20 5 FFBDLO O=[N+]([O-])c1cccc(N2CCN(c3cc(NCC4CC4)nc[nH+]3)CC2)c1 ZINC000119519206 508811636 /nfs/dbraw/zinc/81/16/36/508811636.db2.gz JZJJLMFCDZISSD-UHFFFAOYSA-N 1 2 354.414 2.533 20 5 FFBDLO Cc1ccc(C)c([C@H]2C[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)[C@H](C)CO2)c1 ZINC000159850381 508900095 /nfs/dbraw/zinc/90/00/95/508900095.db2.gz BNGLURJMOXXKFH-VQIMIIECSA-N 1 2 371.437 2.835 20 5 FFBDLO Cc1ccc(C)c([C@H]2C[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)[C@H](C)CO2)c1 ZINC000159850381 508900097 /nfs/dbraw/zinc/90/00/97/508900097.db2.gz BNGLURJMOXXKFH-VQIMIIECSA-N 1 2 371.437 2.835 20 5 FFBDLO COc1ccc(C[NH+]2CCN(Cc3nc(C)c(C)o3)CC2)cc1[N+](=O)[O-] ZINC000155002688 508901823 /nfs/dbraw/zinc/90/18/23/508901823.db2.gz AQQLGZWSAODISC-UHFFFAOYSA-N 1 2 360.414 2.526 20 5 FFBDLO CC(C)Cn1cc[nH+]c1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000131259557 508906513 /nfs/dbraw/zinc/90/65/13/508906513.db2.gz KZWPQYUJFARDFC-UHFFFAOYSA-N 1 2 357.414 2.952 20 5 FFBDLO C[C@@H](CS(C)(=O)=O)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000125929686 509046317 /nfs/dbraw/zinc/04/63/17/509046317.db2.gz QAZUCURYDYJGHP-LBPRGKRZSA-N 1 2 352.412 2.720 20 5 FFBDLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000125929686 509046318 /nfs/dbraw/zinc/04/63/18/509046318.db2.gz QAZUCURYDYJGHP-LBPRGKRZSA-N 1 2 352.412 2.720 20 5 FFBDLO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000126578906 509098275 /nfs/dbraw/zinc/09/82/75/509098275.db2.gz SFOWAEURGIXSPC-DYVFJYSZSA-N 1 2 357.414 2.581 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000121020508 509111534 /nfs/dbraw/zinc/11/15/34/509111534.db2.gz UJDVVZVBEQFURR-QGZVFWFLSA-N 1 2 359.382 2.898 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000121020508 509111536 /nfs/dbraw/zinc/11/15/36/509111536.db2.gz UJDVVZVBEQFURR-QGZVFWFLSA-N 1 2 359.382 2.898 20 5 FFBDLO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000121151081 509138912 /nfs/dbraw/zinc/13/89/12/509138912.db2.gz HSOOPSLYDVTUAP-CYBMUJFWSA-N 1 2 370.409 2.651 20 5 FFBDLO C[NH+](C)Cc1cccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC000156213015 509145412 /nfs/dbraw/zinc/14/54/12/509145412.db2.gz GMKMXRBUXYMOLA-UHFFFAOYSA-N 1 2 366.381 2.694 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N(CC(F)(F)F)c2cc[nH+]cc2)s1 ZINC000185676967 509300329 /nfs/dbraw/zinc/30/03/29/509300329.db2.gz NDXXTXVCZNPPDM-UHFFFAOYSA-N 1 2 367.330 2.809 20 5 FFBDLO C[C@@H]1Cc2ccccc2C[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000172907246 509303702 /nfs/dbraw/zinc/30/37/02/509303702.db2.gz ILVCQGSPFCBQTI-GFCCVEGCSA-N 1 2 369.377 2.709 20 5 FFBDLO C[C@@H]1Cc2ccccc2C[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000172907246 509303710 /nfs/dbraw/zinc/30/37/10/509303710.db2.gz ILVCQGSPFCBQTI-GFCCVEGCSA-N 1 2 369.377 2.709 20 5 FFBDLO CCOc1cc(N2CC[NH+](Cc3c(C)noc3C)CC2)ccc1[N+](=O)[O-] ZINC000267217363 509398204 /nfs/dbraw/zinc/39/82/04/509398204.db2.gz MXFINKZPTLSAGT-UHFFFAOYSA-N 1 2 360.414 2.921 20 5 FFBDLO O=C(Cc1cn2ccccc2[nH+]1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000163781577 509421870 /nfs/dbraw/zinc/42/18/70/509421870.db2.gz MUTVMCXOLFUMHE-UHFFFAOYSA-N 1 2 350.378 2.976 20 5 FFBDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000192244137 509423529 /nfs/dbraw/zinc/42/35/29/509423529.db2.gz JNDFGRXCDVKZFC-UHFFFAOYSA-N 1 2 372.472 2.516 20 5 FFBDLO NC(=O)c1ccc(C[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000186071362 509510591 /nfs/dbraw/zinc/51/05/91/509510591.db2.gz RQPCZUSXAYERER-SFHVURJKSA-N 1 2 369.421 2.527 20 5 FFBDLO NC(=O)c1ccc(C[N@H+]2CCO[C@@H](CCc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000186071362 509510593 /nfs/dbraw/zinc/51/05/93/509510593.db2.gz RQPCZUSXAYERER-SFHVURJKSA-N 1 2 369.421 2.527 20 5 FFBDLO O=C(NC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1)C1CC1 ZINC000179917374 509673136 /nfs/dbraw/zinc/67/31/36/509673136.db2.gz PWYKTLJCYKYMKP-UHFFFAOYSA-N 1 2 369.368 2.687 20 5 FFBDLO C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C[C@@H]1n1cc[nH+]c1 ZINC000268257720 509838168 /nfs/dbraw/zinc/83/81/68/509838168.db2.gz LRYCIRQUSNODIA-DYVFJYSZSA-N 1 2 371.397 2.835 20 5 FFBDLO COc1ccc(CNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000268355821 509885952 /nfs/dbraw/zinc/88/59/52/509885952.db2.gz RVYDNYMYMTWHEM-BBRMVZONSA-N 1 2 373.413 2.593 20 5 FFBDLO CN(CCCn1cc[nH+]c1)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000180588265 510000240 /nfs/dbraw/zinc/00/02/40/510000240.db2.gz QZNNIBWSAWKETL-UHFFFAOYSA-N 1 2 367.203 2.716 20 5 FFBDLO O=C(C[N@H+](Cc1ccccn1)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000180859185 510148159 /nfs/dbraw/zinc/14/81/59/510148159.db2.gz OKAPVKZQIVXTNI-UHFFFAOYSA-N 1 2 352.394 2.544 20 5 FFBDLO O=C(C[N@@H+](Cc1ccccn1)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000180859185 510148162 /nfs/dbraw/zinc/14/81/62/510148162.db2.gz OKAPVKZQIVXTNI-UHFFFAOYSA-N 1 2 352.394 2.544 20 5 FFBDLO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000265899959 510288616 /nfs/dbraw/zinc/28/86/16/510288616.db2.gz UOJBJHKCNYVERK-UHFFFAOYSA-N 1 2 364.423 2.509 20 5 FFBDLO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000265899959 510288620 /nfs/dbraw/zinc/28/86/20/510288620.db2.gz UOJBJHKCNYVERK-UHFFFAOYSA-N 1 2 364.423 2.509 20 5 FFBDLO CCc1nc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cs1 ZINC000184698118 510469697 /nfs/dbraw/zinc/46/96/97/510469697.db2.gz SMQWJJUOGGBOMR-JTQLQIEISA-N 1 2 364.427 2.912 20 5 FFBDLO O=[N+]([O-])c1cc(F)c(NCc2ccc[nH+]c2N2CCOCC2)c(F)c1 ZINC000269623534 510487305 /nfs/dbraw/zinc/48/73/05/510487305.db2.gz IWYXGIQSCYFMRX-UHFFFAOYSA-N 1 2 350.325 2.717 20 5 FFBDLO Cc1cc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000172018730 510501198 /nfs/dbraw/zinc/50/11/98/510501198.db2.gz UEVDBAKGXFNGAU-UHFFFAOYSA-N 1 2 372.406 2.567 20 5 FFBDLO O=C(N[C@H](CCO)C1CCCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178347993 510559182 /nfs/dbraw/zinc/55/91/82/510559182.db2.gz PQNSKTNHTPRHJB-MRXNPFEDSA-N 1 2 372.425 2.842 20 5 FFBDLO CC(C)(C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000269839623 510566204 /nfs/dbraw/zinc/56/62/04/510566204.db2.gz DZNAMAAGUHKHMB-OAHLLOKOSA-N 1 2 354.410 2.663 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])o1)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000181821674 510611901 /nfs/dbraw/zinc/61/19/01/510611901.db2.gz CGCHNNHLWFENPP-UHFFFAOYSA-N 1 2 366.377 2.826 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000246755697 510655293 /nfs/dbraw/zinc/65/52/93/510655293.db2.gz BNWNQIYLXVCPSZ-BDJLRTHQSA-N 1 2 353.806 2.688 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000246755697 510655296 /nfs/dbraw/zinc/65/52/96/510655296.db2.gz BNWNQIYLXVCPSZ-BDJLRTHQSA-N 1 2 353.806 2.688 20 5 FFBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3nnc4n3CCCCC4)CC2)cc1 ZINC000266607959 510685032 /nfs/dbraw/zinc/68/50/32/510685032.db2.gz GWXWCOBBFBKIRD-UHFFFAOYSA-N 1 2 371.441 2.956 20 5 FFBDLO CC[N@H+](CC(=O)[O-])C1CC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000263519305 510735867 /nfs/dbraw/zinc/73/58/67/510735867.db2.gz QFKUHHYHBYCYGQ-UHFFFAOYSA-N 1 2 373.409 2.882 20 5 FFBDLO CC[N@@H+](CC(=O)[O-])C1CC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000263519305 510735876 /nfs/dbraw/zinc/73/58/76/510735876.db2.gz QFKUHHYHBYCYGQ-UHFFFAOYSA-N 1 2 373.409 2.882 20 5 FFBDLO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1nc(C(C)(C)C)no1 ZINC000185204695 510746576 /nfs/dbraw/zinc/74/65/76/510746576.db2.gz HGFMNHACMCXWBY-NSHDSACASA-N 1 2 361.402 2.955 20 5 FFBDLO COc1cc(CCNC(=O)Nc2cc[nH+]c(C)c2)c([N+](=O)[O-])cc1OC ZINC000271000037 511051881 /nfs/dbraw/zinc/05/18/81/511051881.db2.gz DDJFBPBDWJPODM-UHFFFAOYSA-N 1 2 360.370 2.680 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000298156350 511192631 /nfs/dbraw/zinc/19/26/31/511192631.db2.gz KXPUEYJCJNGTAE-KRWDZBQOSA-N 1 2 369.421 2.534 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000298156350 511192633 /nfs/dbraw/zinc/19/26/33/511192633.db2.gz KXPUEYJCJNGTAE-KRWDZBQOSA-N 1 2 369.421 2.534 20 5 FFBDLO C[C@@H](O)C[C@@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000279824545 511230868 /nfs/dbraw/zinc/23/08/68/511230868.db2.gz QQOIGGPCHLLRHL-HIFRSBDPSA-N 1 2 358.398 2.546 20 5 FFBDLO C[C@H](Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000295026465 511256561 /nfs/dbraw/zinc/25/65/61/511256561.db2.gz VLNFLRQAUQDVSU-UONOGXRCSA-N 1 2 357.414 2.767 20 5 FFBDLO C[C@H](Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)c1ccc([N+](=O)[O-])cc1 ZINC000295026465 511256565 /nfs/dbraw/zinc/25/65/65/511256565.db2.gz VLNFLRQAUQDVSU-UONOGXRCSA-N 1 2 357.414 2.767 20 5 FFBDLO Cc1cc(OCC(=O)NCc2cc[nH+]c(N3CCCC3)c2)ccc1[N+](=O)[O-] ZINC000298527431 511316618 /nfs/dbraw/zinc/31/66/18/511316618.db2.gz XYJLZBWZIZJDIS-UHFFFAOYSA-N 1 2 370.409 2.594 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@](C)(O)CC1 ZINC000280252572 511393160 /nfs/dbraw/zinc/39/31/60/511393160.db2.gz XEWWWSSSQQPKRZ-ZBEGNZNMSA-N 1 2 355.822 2.812 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@](C)(O)CC1 ZINC000280252572 511393163 /nfs/dbraw/zinc/39/31/63/511393163.db2.gz XEWWWSSSQQPKRZ-ZBEGNZNMSA-N 1 2 355.822 2.812 20 5 FFBDLO O=C(C[N@@H+]1CCOC[C@@H](C2CCC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000292193500 511500903 /nfs/dbraw/zinc/50/09/03/511500903.db2.gz RNUMIKNJESRSQF-ZDUSSCGKSA-N 1 2 367.833 2.935 20 5 FFBDLO O=C(C[N@H+]1CCOC[C@@H](C2CCC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000292193500 511500910 /nfs/dbraw/zinc/50/09/10/511500910.db2.gz RNUMIKNJESRSQF-ZDUSSCGKSA-N 1 2 367.833 2.935 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000365534306 511509725 /nfs/dbraw/zinc/50/97/25/511509725.db2.gz NJGJSERDFPCVTE-GFCCVEGCSA-N 1 2 364.352 2.826 20 5 FFBDLO CC(C)(C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000273915661 511654440 /nfs/dbraw/zinc/65/44/40/511654440.db2.gz PTMFIJZOSYXFRB-ZDUSSCGKSA-N 1 2 372.400 2.802 20 5 FFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000301398546 511697209 /nfs/dbraw/zinc/69/72/09/511697209.db2.gz IUEKHRGTNTZWFB-KBPBESRZSA-N 1 2 371.393 2.694 20 5 FFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000301398546 511697213 /nfs/dbraw/zinc/69/72/13/511697213.db2.gz IUEKHRGTNTZWFB-KBPBESRZSA-N 1 2 371.393 2.694 20 5 FFBDLO CO[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1(C)C ZINC000296331239 511703408 /nfs/dbraw/zinc/70/34/08/511703408.db2.gz ZNKDLRYWEPLJJX-INIZCTEOSA-N 1 2 358.398 2.668 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000284389390 511705605 /nfs/dbraw/zinc/70/56/05/511705605.db2.gz MQAKADLGLAIRQM-CXAGYDPISA-N 1 2 358.398 2.913 20 5 FFBDLO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000274125188 511727375 /nfs/dbraw/zinc/72/73/75/511727375.db2.gz NYXQQYPHDKKMNV-AWEZNQCLSA-N 1 2 364.423 2.864 20 5 FFBDLO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000274125188 511727382 /nfs/dbraw/zinc/72/73/82/511727382.db2.gz NYXQQYPHDKKMNV-AWEZNQCLSA-N 1 2 364.423 2.864 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000296461204 511752972 /nfs/dbraw/zinc/75/29/72/511752972.db2.gz KZHNXJLVBSGCGS-OAHLLOKOSA-N 1 2 357.414 2.664 20 5 FFBDLO CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311572396 511777550 /nfs/dbraw/zinc/77/75/50/511777550.db2.gz VAJMWKPVIBKFGI-HNNXBMFYSA-N 1 2 355.394 2.647 20 5 FFBDLO CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311572396 511777554 /nfs/dbraw/zinc/77/75/54/511777554.db2.gz VAJMWKPVIBKFGI-HNNXBMFYSA-N 1 2 355.394 2.647 20 5 FFBDLO COC[C@]1(C)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000296551558 511793123 /nfs/dbraw/zinc/79/31/23/511793123.db2.gz BXLOWMBWIIODFL-MEDUHNTESA-N 1 2 355.822 2.934 20 5 FFBDLO COC[C@]1(C)CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000296551558 511793126 /nfs/dbraw/zinc/79/31/26/511793126.db2.gz BXLOWMBWIIODFL-MEDUHNTESA-N 1 2 355.822 2.934 20 5 FFBDLO O=C1OCC[C@@H]1CC[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284678508 511822297 /nfs/dbraw/zinc/82/22/97/511822297.db2.gz HIBQSRFEXYBERO-JTQLQIEISA-N 1 2 369.215 2.669 20 5 FFBDLO O=C1OCC[C@@H]1CC[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284678508 511822303 /nfs/dbraw/zinc/82/23/03/511822303.db2.gz HIBQSRFEXYBERO-JTQLQIEISA-N 1 2 369.215 2.669 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@@H](CO)CC1 ZINC000293121598 511847735 /nfs/dbraw/zinc/84/77/35/511847735.db2.gz MINSXAMCCZVMFB-NWDGAFQWSA-N 1 2 355.822 2.670 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@H](CO)CC1 ZINC000293121598 511847740 /nfs/dbraw/zinc/84/77/40/511847740.db2.gz MINSXAMCCZVMFB-NWDGAFQWSA-N 1 2 355.822 2.670 20 5 FFBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000366126317 511855386 /nfs/dbraw/zinc/85/53/86/511855386.db2.gz CYRXTGBNCKSQEU-CQSZACIVSA-N 1 2 357.414 2.795 20 5 FFBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000366126317 511855390 /nfs/dbraw/zinc/85/53/90/511855390.db2.gz CYRXTGBNCKSQEU-CQSZACIVSA-N 1 2 357.414 2.795 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCOC[C@@H]3[C@@H]3CCC[C@@H]3O)co2)cc1 ZINC000284861423 511902126 /nfs/dbraw/zinc/90/21/26/511902126.db2.gz QWKASBMYWVSSOI-KSZLIROESA-N 1 2 373.409 2.612 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCOC[C@@H]3[C@@H]3CCC[C@@H]3O)co2)cc1 ZINC000284861423 511902132 /nfs/dbraw/zinc/90/21/32/511902132.db2.gz QWKASBMYWVSSOI-KSZLIROESA-N 1 2 373.409 2.612 20 5 FFBDLO COc1cc(C[N@@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c([N+](=O)[O-])cc1F ZINC000369555335 512475961 /nfs/dbraw/zinc/47/59/61/512475961.db2.gz BIOYJAILOHOGFY-YVEFUNNKSA-N 1 2 354.378 2.512 20 5 FFBDLO COc1cc(C[N@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c([N+](=O)[O-])cc1F ZINC000369555335 512475963 /nfs/dbraw/zinc/47/59/63/512475963.db2.gz BIOYJAILOHOGFY-YVEFUNNKSA-N 1 2 354.378 2.512 20 5 FFBDLO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000375836106 512532025 /nfs/dbraw/zinc/53/20/25/512532025.db2.gz BBFRFGHLJNVKST-SECBINFHSA-N 1 2 365.187 2.755 20 5 FFBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000373997130 512612510 /nfs/dbraw/zinc/61/25/10/512612510.db2.gz DFZOMQVAORSHMD-UHFFFAOYSA-N 1 2 367.365 2.504 20 5 FFBDLO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)C[C@H](C)O2 ZINC000374018071 512624378 /nfs/dbraw/zinc/62/43/78/512624378.db2.gz MVMLEZMKXPQCDR-VBHSOAQHSA-N 1 2 361.398 2.894 20 5 FFBDLO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)C[C@H](C)O2 ZINC000374018071 512624384 /nfs/dbraw/zinc/62/43/84/512624384.db2.gz MVMLEZMKXPQCDR-VBHSOAQHSA-N 1 2 361.398 2.894 20 5 FFBDLO CC(C)[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000411481791 512656731 /nfs/dbraw/zinc/65/67/31/512656731.db2.gz RMODXCZQKOTYCT-MRXNPFEDSA-N 1 2 365.430 2.879 20 5 FFBDLO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000378410280 512745573 /nfs/dbraw/zinc/74/55/73/512745573.db2.gz GQWKCBNSIHJIDG-OAHLLOKOSA-N 1 2 355.398 2.895 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCc2occc2C1 ZINC000367979076 512749298 /nfs/dbraw/zinc/74/92/98/512749298.db2.gz UFMRTSJNMLXNFZ-UHFFFAOYSA-N 1 2 352.350 2.962 20 5 FFBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000376456265 512825285 /nfs/dbraw/zinc/82/52/85/512825285.db2.gz WGSPNHHKAPMDHK-UHFFFAOYSA-N 1 2 358.398 2.555 20 5 FFBDLO O=C(C[N@H+]1CCC[C@](CO)(c2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000374518381 512869683 /nfs/dbraw/zinc/86/96/83/512869683.db2.gz HCCALOKADUZMSD-FQEVSTJZSA-N 1 2 369.421 2.559 20 5 FFBDLO O=C(C[N@@H+]1CCC[C@](CO)(c2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000374518381 512869688 /nfs/dbraw/zinc/86/96/88/512869688.db2.gz HCCALOKADUZMSD-FQEVSTJZSA-N 1 2 369.421 2.559 20 5 FFBDLO CCOc1ccc(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000372545069 512931252 /nfs/dbraw/zinc/93/12/52/512931252.db2.gz JDNTVMNXDAPZPH-UHFFFAOYSA-N 1 2 367.365 2.504 20 5 FFBDLO Cc1cccn2cc(CNC(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)[nH+]c12 ZINC000412072447 512944643 /nfs/dbraw/zinc/94/46/43/512944643.db2.gz ILFASSYWSYIOTM-DLBZAZTESA-N 1 2 350.378 2.971 20 5 FFBDLO O=C1CCCCN1[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000368542793 512994344 /nfs/dbraw/zinc/99/43/44/512994344.db2.gz ISMGGNHMPFYZAS-AWEZNQCLSA-N 1 2 358.398 2.713 20 5 FFBDLO O=C1CCCCN1[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000368542793 512994346 /nfs/dbraw/zinc/99/43/46/512994346.db2.gz ISMGGNHMPFYZAS-AWEZNQCLSA-N 1 2 358.398 2.713 20 5 FFBDLO O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000368554405 512998476 /nfs/dbraw/zinc/99/84/76/512998476.db2.gz KVTVQRYTWDHVBK-ZBFHGGJFSA-N 1 2 367.833 2.621 20 5 FFBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000376956709 513066155 /nfs/dbraw/zinc/06/61/55/513066155.db2.gz SITKXMFGNLJAIA-HZPDHXFCSA-N 1 2 356.426 2.913 20 5 FFBDLO O=[N+]([O-])c1cc(Br)ccc1NCC1([NH+]2CCOCC2)CC1 ZINC000433789940 513150427 /nfs/dbraw/zinc/15/04/27/513150427.db2.gz RWOUSWAZJYBTHQ-UHFFFAOYSA-N 1 2 356.220 2.634 20 5 FFBDLO CCO[C@H]1C[C@@H](O)C12CCN(c1[nH+]ccc3ccc([N+](=O)[O-])cc31)CC2 ZINC000413167319 513495000 /nfs/dbraw/zinc/49/50/00/513495000.db2.gz VHMUIDLNSLERTO-SJORKVTESA-N 1 2 357.410 2.899 20 5 FFBDLO C[N@@H+](Cc1c(Cl)cccc1Cl)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441284502 513530593 /nfs/dbraw/zinc/53/05/93/513530593.db2.gz KGUFXOHIPYMWCS-LLVKDONJSA-N 1 2 359.213 2.591 20 5 FFBDLO C[N@H+](Cc1c(Cl)cccc1Cl)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441284502 513530600 /nfs/dbraw/zinc/53/06/00/513530600.db2.gz KGUFXOHIPYMWCS-LLVKDONJSA-N 1 2 359.213 2.591 20 5 FFBDLO C[C@@](O)(CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CCCCC1 ZINC000451126457 513539435 /nfs/dbraw/zinc/53/94/35/513539435.db2.gz DGDHAOVYDJFPJS-LJQANCHMSA-N 1 2 372.425 2.842 20 5 FFBDLO CN(C)c1noc([C@H]2CCCN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)C2)n1 ZINC000413253535 513548731 /nfs/dbraw/zinc/54/87/31/513548731.db2.gz VFFSULWFWFFSCR-ZDUSSCGKSA-N 1 2 368.397 2.976 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCO[C@@H](c2ccco2)C1 ZINC000447810805 513577707 /nfs/dbraw/zinc/57/77/07/513577707.db2.gz KZZRTGFRUIJSKE-LJQANCHMSA-N 1 2 373.409 2.598 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCC(C(F)F)CC1 ZINC000447813504 513578333 /nfs/dbraw/zinc/57/83/33/513578333.db2.gz WBFQYPDOCYEZRE-UHFFFAOYSA-N 1 2 355.385 2.909 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCCc1ccccn1 ZINC000447817909 513582013 /nfs/dbraw/zinc/58/20/13/513582013.db2.gz TXFZMECLJOPYLM-UHFFFAOYSA-N 1 2 356.426 2.867 20 5 FFBDLO Cc1cc(OCC(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)ccc1[N+](=O)[O-] ZINC000435807511 513688888 /nfs/dbraw/zinc/68/88/88/513688888.db2.gz IYPFDFAKTLILIZ-UHFFFAOYSA-N 1 2 366.377 2.989 20 5 FFBDLO O=C(N[C@@H](CO)CC1CCCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000416330381 513713747 /nfs/dbraw/zinc/71/37/47/513713747.db2.gz FICIAFQCZAKFDK-MRXNPFEDSA-N 1 2 372.425 2.842 20 5 FFBDLO CCCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@H](C)C(=O)OCC ZINC000451434643 513749562 /nfs/dbraw/zinc/74/95/62/513749562.db2.gz PKLKMRJQJZESSU-CYBMUJFWSA-N 1 2 374.397 2.584 20 5 FFBDLO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3ncnn3CC(F)F)C2)cc1 ZINC000451548773 513826520 /nfs/dbraw/zinc/82/65/20/513826520.db2.gz OJSMYQUHAGQTCX-ZDUSSCGKSA-N 1 2 351.357 2.831 20 5 FFBDLO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3ncnn3CC(F)F)C2)cc1 ZINC000451548773 513826527 /nfs/dbraw/zinc/82/65/27/513826527.db2.gz OJSMYQUHAGQTCX-ZDUSSCGKSA-N 1 2 351.357 2.831 20 5 FFBDLO CO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000451574687 513844019 /nfs/dbraw/zinc/84/40/19/513844019.db2.gz RVBFWCYBCYCRCH-FIXISWKDSA-N 1 2 355.822 2.932 20 5 FFBDLO CO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000451574687 513844024 /nfs/dbraw/zinc/84/40/24/513844024.db2.gz RVBFWCYBCYCRCH-FIXISWKDSA-N 1 2 355.822 2.932 20 5 FFBDLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)s1 ZINC000414081684 513969467 /nfs/dbraw/zinc/96/94/67/513969467.db2.gz UPJFCFJFPLJJNN-SECBINFHSA-N 1 2 351.384 2.697 20 5 FFBDLO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000451879491 514041065 /nfs/dbraw/zinc/04/10/65/514041065.db2.gz JVVNVSXNRBXVFX-NSHDSACASA-N 1 2 371.363 2.787 20 5 FFBDLO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000451879491 514041072 /nfs/dbraw/zinc/04/10/72/514041072.db2.gz JVVNVSXNRBXVFX-NSHDSACASA-N 1 2 371.363 2.787 20 5 FFBDLO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000436958347 514049836 /nfs/dbraw/zinc/04/98/36/514049836.db2.gz GWDXAMRIEBCKMD-GOEBONIOSA-N 1 2 369.421 2.941 20 5 FFBDLO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000436958347 514049840 /nfs/dbraw/zinc/04/98/40/514049840.db2.gz GWDXAMRIEBCKMD-GOEBONIOSA-N 1 2 369.421 2.941 20 5 FFBDLO CC[C@@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@@H](CC)O1 ZINC000420639252 514211099 /nfs/dbraw/zinc/21/10/99/514211099.db2.gz XUXQINGFISZLDE-IAGOWNOFSA-N 1 2 363.458 2.821 20 5 FFBDLO C[C@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000452180749 514234684 /nfs/dbraw/zinc/23/46/84/514234684.db2.gz FSKUULMJZDGEET-HNNXBMFYSA-N 1 2 369.421 2.918 20 5 FFBDLO CCOC(=O)c1cc(C(=O)Nc2c[nH+]c3n2CCCC3)cc([N+](=O)[O-])c1 ZINC000452342473 514293430 /nfs/dbraw/zinc/29/34/30/514293430.db2.gz LPOYUGLZKBZHSB-UHFFFAOYSA-N 1 2 358.354 2.557 20 5 FFBDLO Cc1cc(F)c(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000424177167 514406426 /nfs/dbraw/zinc/40/64/26/514406426.db2.gz PQWLNYMCILSYCD-UHFFFAOYSA-N 1 2 370.377 2.745 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccccc2-n2cc[nH+]c2)n1 ZINC000439170678 514503472 /nfs/dbraw/zinc/50/34/72/514503472.db2.gz OFVMBKFTHLXNRY-UHFFFAOYSA-N 1 2 353.338 2.574 20 5 FFBDLO O=c1[nH]c(NCCCc2[nH]c3ccccc3[nH+]2)nc2ccc([N+](=O)[O-])cc21 ZINC000439174745 514504354 /nfs/dbraw/zinc/50/43/54/514504354.db2.gz YWVYMVOZWIOLRW-UHFFFAOYSA-N 1 2 364.365 2.587 20 5 FFBDLO Cc1ccc(NCCCNC(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)c([N+](=O)[O-])c1 ZINC000455468681 514541277 /nfs/dbraw/zinc/54/12/77/514541277.db2.gz IVTCTUWFCAOKNY-HIFRSBDPSA-N 1 2 372.429 2.907 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000470934386 514679595 /nfs/dbraw/zinc/67/95/95/514679595.db2.gz VZRPRWUHNUKYJP-GXSJLCMTSA-N 1 2 361.320 2.815 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000470934386 514679605 /nfs/dbraw/zinc/67/96/05/514679605.db2.gz VZRPRWUHNUKYJP-GXSJLCMTSA-N 1 2 361.320 2.815 20 5 FFBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1C)CCC2 ZINC000479713919 514696945 /nfs/dbraw/zinc/69/69/45/514696945.db2.gz HATVLQKORXYSQM-OAHLLOKOSA-N 1 2 357.414 2.785 20 5 FFBDLO O=C1[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]2CCCCN12 ZINC000453615546 514728082 /nfs/dbraw/zinc/72/80/82/514728082.db2.gz FUXDGXLTKRHPHV-ZBFHGGJFSA-N 1 2 372.450 2.961 20 5 FFBDLO COC(=O)COc1ccc(C[N@@H+]2CCc3cccc(F)c3C2)cc1[N+](=O)[O-] ZINC000475726964 514782477 /nfs/dbraw/zinc/78/24/77/514782477.db2.gz WNLGWMFLRRCRPU-UHFFFAOYSA-N 1 2 374.368 2.844 20 5 FFBDLO COC(=O)COc1ccc(C[N@H+]2CCc3cccc(F)c3C2)cc1[N+](=O)[O-] ZINC000475726964 514782489 /nfs/dbraw/zinc/78/24/89/514782489.db2.gz WNLGWMFLRRCRPU-UHFFFAOYSA-N 1 2 374.368 2.844 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000502812442 514788719 /nfs/dbraw/zinc/78/87/19/514788719.db2.gz ZXQRJSXIOOPCJK-INIZCTEOSA-N 1 2 370.471 2.781 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000502812442 514788726 /nfs/dbraw/zinc/78/87/26/514788726.db2.gz ZXQRJSXIOOPCJK-INIZCTEOSA-N 1 2 370.471 2.781 20 5 FFBDLO Nc1c(F)c(NC[C@H](c2cccs2)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000476097220 514914912 /nfs/dbraw/zinc/91/49/12/514914912.db2.gz AOIODWYFJMAMIS-CYBMUJFWSA-N 1 2 366.418 2.863 20 5 FFBDLO O=C(N[C@@H]1CC(=O)c2ccccc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000499022261 515169331 /nfs/dbraw/zinc/16/93/31/515169331.db2.gz OWOFJWANWZECJN-OAHLLOKOSA-N 1 2 362.345 2.838 20 5 FFBDLO COc1cc(C[NH+]2CCN(Cc3csc(C)n3)CC2)ccc1[N+](=O)[O-] ZINC000485768724 515178220 /nfs/dbraw/zinc/17/82/20/515178220.db2.gz FMABEIHDEAKVEB-UHFFFAOYSA-N 1 2 362.455 2.686 20 5 FFBDLO Cc1cc(N2CC[C@H](N3CCCC3=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000477800484 515596317 /nfs/dbraw/zinc/59/63/17/515596317.db2.gz OWXPSANFJQCVCH-INIZCTEOSA-N 1 2 367.409 2.561 20 5 FFBDLO CCOC(=O)c1cc(N2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1[N+](=O)[O-] ZINC000468963343 515603568 /nfs/dbraw/zinc/60/35/68/515603568.db2.gz NEJWECIKULPWQS-HNNXBMFYSA-N 1 2 357.366 2.824 20 5 FFBDLO Cc1cc[nH+]cc1N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000500205518 515627079 /nfs/dbraw/zinc/62/70/79/515627079.db2.gz ODEKNOYLXSSHNG-UHFFFAOYSA-N 1 2 359.361 2.791 20 5 FFBDLO Cc1ccc(S(=O)(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)c([N+](=O)[O-])c1 ZINC000463871851 515649595 /nfs/dbraw/zinc/64/95/95/515649595.db2.gz BIAWSOOEARICCD-UHFFFAOYSA-N 1 2 372.406 2.772 20 5 FFBDLO COc1ccc([C@@H](CO)[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000482712118 515780307 /nfs/dbraw/zinc/78/03/07/515780307.db2.gz VBBHQZIUJQTRKF-QGZVFWFLSA-N 1 2 356.382 2.645 20 5 FFBDLO COc1ccc([C@@H](CO)[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000482712118 515780312 /nfs/dbraw/zinc/78/03/12/515780312.db2.gz VBBHQZIUJQTRKF-QGZVFWFLSA-N 1 2 356.382 2.645 20 5 FFBDLO Cc1c(CNC(=O)NCCc2cn3ccccc3[nH+]2)cccc1[N+](=O)[O-] ZINC000478361518 515794469 /nfs/dbraw/zinc/79/44/69/515794469.db2.gz MCGSJCKTHQHJSY-UHFFFAOYSA-N 1 2 353.382 2.593 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cnccc2C)c([N+](=O)[O-])c1 ZINC000483026244 515887687 /nfs/dbraw/zinc/88/76/87/515887687.db2.gz WBKARBDORYIRQX-CYBMUJFWSA-N 1 2 358.398 2.766 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cnccc2C)c([N+](=O)[O-])c1 ZINC000483026244 515887697 /nfs/dbraw/zinc/88/76/97/515887697.db2.gz WBKARBDORYIRQX-CYBMUJFWSA-N 1 2 358.398 2.766 20 5 FFBDLO CC[C@H]1C[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@@H](CC)CN1C(C)=O ZINC000464686623 515922015 /nfs/dbraw/zinc/92/20/15/515922015.db2.gz BRWSRHGZEBHMCP-GJZGRUSLSA-N 1 2 367.421 2.964 20 5 FFBDLO CC[C@H]1C[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@@H](CC)CN1C(C)=O ZINC000464686623 515922024 /nfs/dbraw/zinc/92/20/24/515922024.db2.gz BRWSRHGZEBHMCP-GJZGRUSLSA-N 1 2 367.421 2.964 20 5 FFBDLO Cc1sc(C(=O)NCCNc2ccc3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000469749126 515949682 /nfs/dbraw/zinc/94/96/82/515949682.db2.gz RMSNJZLDYLPYGU-UHFFFAOYSA-N 1 2 356.407 2.777 20 5 FFBDLO CCCc1csc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000494851133 515984360 /nfs/dbraw/zinc/98/43/60/515984360.db2.gz ONBBNAUZDNVYMU-UHFFFAOYSA-N 1 2 369.468 2.567 20 5 FFBDLO COC(=O)COc1ccc(C[NH2+][C@H](C)c2ncc(C)s2)cc1[N+](=O)[O-] ZINC000474339728 515999214 /nfs/dbraw/zinc/99/92/14/515999214.db2.gz CDVYWKHIRZOFGO-LLVKDONJSA-N 1 2 365.411 2.762 20 5 FFBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000464986750 516035095 /nfs/dbraw/zinc/03/50/95/516035095.db2.gz QMGXTCIBXLHBTG-UHFFFAOYSA-N 1 2 357.414 2.697 20 5 FFBDLO C[C@@]12CCN(c3cc(C[NH+]4CCOCC4)ccc3[N+](=O)[O-])C[C@@H]1C2(F)F ZINC000488439209 516225914 /nfs/dbraw/zinc/22/59/14/516225914.db2.gz ZETHJEMWZDJGNI-DLBZAZTESA-N 1 2 367.396 2.909 20 5 FFBDLO COc1ccc(-c2ccc(C[N@@H+]3CCN(C(C)C)C(=O)C3)o2)c([N+](=O)[O-])c1 ZINC000507868377 516316391 /nfs/dbraw/zinc/31/63/91/516316391.db2.gz JEFLZQDWWYHWLG-UHFFFAOYSA-N 1 2 373.409 2.916 20 5 FFBDLO COc1ccc(-c2ccc(C[N@H+]3CCN(C(C)C)C(=O)C3)o2)c([N+](=O)[O-])c1 ZINC000507868377 516316395 /nfs/dbraw/zinc/31/63/95/516316395.db2.gz JEFLZQDWWYHWLG-UHFFFAOYSA-N 1 2 373.409 2.916 20 5 FFBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000512644934 516317964 /nfs/dbraw/zinc/31/79/64/516317964.db2.gz ADUWIBKVBVTFFV-UHFFFAOYSA-N 1 2 360.761 2.578 20 5 FFBDLO CSCC[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000557662832 516368539 /nfs/dbraw/zinc/36/85/39/516368539.db2.gz RSBBUZQKVUGJMD-CQSZACIVSA-N 1 2 373.438 2.927 20 5 FFBDLO C[C@H](O)C[C@@H]1CCCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000561185684 516436591 /nfs/dbraw/zinc/43/65/91/516436591.db2.gz QTDJXQAHQZXYPX-HOCLYGCPSA-N 1 2 372.425 2.936 20 5 FFBDLO CCc1ccc(C[NH+]2CCN(C(=O)c3cc([N+](=O)[O-])cn3C)CC2)s1 ZINC000523397384 516458006 /nfs/dbraw/zinc/45/80/06/516458006.db2.gz IGQBDBFIYIRPHG-UHFFFAOYSA-N 1 2 362.455 2.515 20 5 FFBDLO O=C(CNc1ccccc1[N+](=O)[O-])NCc1cccc(-n2cc[nH+]c2)c1 ZINC000523719816 516557707 /nfs/dbraw/zinc/55/77/07/516557707.db2.gz HHFWSTREMHVHCH-UHFFFAOYSA-N 1 2 351.366 2.509 20 5 FFBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000523762391 516572798 /nfs/dbraw/zinc/57/27/98/516572798.db2.gz RYRJBRHLYNRIFV-UHFFFAOYSA-N 1 2 365.393 2.822 20 5 FFBDLO O=C([O-])C1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000551420807 516704079 /nfs/dbraw/zinc/70/40/79/516704079.db2.gz LJEATXCPOUIMDS-UHFFFAOYSA-N 1 2 369.421 2.804 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000561820543 516786611 /nfs/dbraw/zinc/78/66/11/516786611.db2.gz OPGMDGGGWFLTNS-ZDUSSCGKSA-N 1 2 366.324 2.811 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)n1 ZINC000541004467 516825961 /nfs/dbraw/zinc/82/59/61/516825961.db2.gz CZXGEMIAHSHPFN-AWEZNQCLSA-N 1 2 357.414 2.839 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000514139817 516877004 /nfs/dbraw/zinc/87/70/04/516877004.db2.gz HCLXPGSACWKNAJ-CQSZACIVSA-N 1 2 370.409 2.517 20 5 FFBDLO O=C(C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1)N1CCCC1 ZINC000536680015 516890083 /nfs/dbraw/zinc/89/00/83/516890083.db2.gz WMKFAHPSYAYRBG-MTIYJEKLSA-N 1 2 373.453 2.711 20 5 FFBDLO O=C(C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1)N1CCCC1 ZINC000536680015 516890092 /nfs/dbraw/zinc/89/00/92/516890092.db2.gz WMKFAHPSYAYRBG-MTIYJEKLSA-N 1 2 373.453 2.711 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCNC(=O)[C@@H]1Cc1ccccc1 ZINC000555591514 516998660 /nfs/dbraw/zinc/99/86/60/516998660.db2.gz ZVFZCZLPSINKIZ-SFHVURJKSA-N 1 2 369.421 2.537 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCNC(=O)[C@@H]1Cc1ccccc1 ZINC000555591514 516998671 /nfs/dbraw/zinc/99/86/71/516998671.db2.gz ZVFZCZLPSINKIZ-SFHVURJKSA-N 1 2 369.421 2.537 20 5 FFBDLO O=C(C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)N1CCCCC1 ZINC000548508496 517024996 /nfs/dbraw/zinc/02/49/96/517024996.db2.gz IGADSWOZWKFOHC-UHFFFAOYSA-N 1 2 371.441 2.696 20 5 FFBDLO CC(C)(C(=O)NCc1ccn2cc[nH+]c2c1)c1ccc([N+](=O)[O-])cc1F ZINC000545147705 517069694 /nfs/dbraw/zinc/06/96/94/517069694.db2.gz PKCISEBZXDIHGV-UHFFFAOYSA-N 1 2 356.357 2.976 20 5 FFBDLO CNc1c(C(=O)N2CC[NH+](Cc3ccsc3)CC2)cccc1[N+](=O)[O-] ZINC000545199625 517098882 /nfs/dbraw/zinc/09/88/82/517098882.db2.gz ONJCFBZSZYLXJO-UHFFFAOYSA-N 1 2 360.439 2.656 20 5 FFBDLO CN(CC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000552247202 517159957 /nfs/dbraw/zinc/15/99/57/517159957.db2.gz FLQJNBNCEXVVKL-CQSZACIVSA-N 1 2 371.363 2.501 20 5 FFBDLO Cc1cc[nH+]cc1N1CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000532993760 517243641 /nfs/dbraw/zinc/24/36/41/517243641.db2.gz ZBCMVVLKFYDTFZ-HNNXBMFYSA-N 1 2 354.410 2.751 20 5 FFBDLO Cc1cccc2[nH+]c(CNC(=O)N3CCc4c(cccc4[N+](=O)[O-])C3)cn21 ZINC000537596261 517249670 /nfs/dbraw/zinc/24/96/70/517249670.db2.gz AEUCPKUUAJZGDJ-UHFFFAOYSA-N 1 2 365.393 2.819 20 5 FFBDLO COc1ccc(C[N@H+](C)Cc2nc(-c3cccnc3)no2)cc1[N+](=O)[O-] ZINC000533079129 517282367 /nfs/dbraw/zinc/28/23/67/517282367.db2.gz RDMQJEQUMBJJOA-UHFFFAOYSA-N 1 2 355.354 2.680 20 5 FFBDLO COc1ccc(C[N@@H+](C)Cc2nc(-c3cccnc3)no2)cc1[N+](=O)[O-] ZINC000533079129 517282376 /nfs/dbraw/zinc/28/23/76/517282376.db2.gz RDMQJEQUMBJJOA-UHFFFAOYSA-N 1 2 355.354 2.680 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCC1(O)CCCCCC1 ZINC000515336706 517304583 /nfs/dbraw/zinc/30/45/83/517304583.db2.gz FANHOKMVTOMHSS-UHFFFAOYSA-N 1 2 363.458 2.924 20 5 FFBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549708887 517666971 /nfs/dbraw/zinc/66/69/71/517666971.db2.gz GKYNFAORANJAMT-SWLSCSKDSA-N 1 2 373.375 2.909 20 5 FFBDLO O=C(c1ccccc1F)N1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000549747809 517687265 /nfs/dbraw/zinc/68/72/65/517687265.db2.gz QYQLWKNRMKDXBT-UHFFFAOYSA-N 1 2 373.384 2.788 20 5 FFBDLO O=C(c1ccccc1F)N1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000549747809 517687270 /nfs/dbraw/zinc/68/72/70/517687270.db2.gz QYQLWKNRMKDXBT-UHFFFAOYSA-N 1 2 373.384 2.788 20 5 FFBDLO COc1cc(N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000534335413 517857503 /nfs/dbraw/zinc/85/75/03/517857503.db2.gz DIFYNTXWICTDQS-UKRRQHHQSA-N 1 2 353.394 2.798 20 5 FFBDLO O=C(CC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000550113033 517866603 /nfs/dbraw/zinc/86/66/03/517866603.db2.gz NAEXTEFWBCLNLQ-UHFFFAOYSA-N 1 2 367.405 2.626 20 5 FFBDLO Nc1ccc(-c2noc(CCc3[nH]c4ccccc4[nH+]3)n2)cc1[N+](=O)[O-] ZINC000546963312 517937940 /nfs/dbraw/zinc/93/79/40/517937940.db2.gz UEFZIRJAFPHRGI-UHFFFAOYSA-N 1 2 350.338 2.889 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000581348011 518240147 /nfs/dbraw/zinc/24/01/47/518240147.db2.gz INHWNLZCWPLCHZ-UHFFFAOYSA-N 1 2 355.398 2.542 20 5 FFBDLO CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1(CO)CCC1 ZINC000584664854 518420310 /nfs/dbraw/zinc/42/03/10/518420310.db2.gz SFCJCJLOXRMMSB-KRWDZBQOSA-N 1 2 372.425 2.698 20 5 FFBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c[nH+]ccc1-n1ccnn1 ZINC000570317320 518546988 /nfs/dbraw/zinc/54/69/88/518546988.db2.gz YMSVCAGBUXQTGS-NSHDSACASA-N 1 2 370.394 2.690 20 5 FFBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)COc1ccccc1-n1cc[nH+]c1 ZINC000579165431 518549408 /nfs/dbraw/zinc/54/94/08/518549408.db2.gz DAMFFTKMWMWDQL-CQSZACIVSA-N 1 2 355.350 2.599 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)NCCc2cn3ccccc3[nH+]2)c1 ZINC000573462103 518677360 /nfs/dbraw/zinc/67/73/60/518677360.db2.gz UJBOGPVXUSDYCG-UHFFFAOYSA-N 1 2 354.366 2.614 20 5 FFBDLO Cc1cccc(CCCNc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)[nH+]1 ZINC000588063026 518713158 /nfs/dbraw/zinc/71/31/58/518713158.db2.gz GSILMFYTGCFVCA-UHFFFAOYSA-N 1 2 355.398 2.533 20 5 FFBDLO C[C@@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCC1(F)F ZINC000565275423 518872320 /nfs/dbraw/zinc/87/23/20/518872320.db2.gz LPOUUKQZMIUOTQ-CYBMUJFWSA-N 1 2 355.385 2.909 20 5 FFBDLO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000582729985 518894814 /nfs/dbraw/zinc/89/48/14/518894814.db2.gz HZLOZRQGOXEAKV-VYDXJSESSA-N 1 2 372.425 2.739 20 5 FFBDLO COC(=O)C[C@@](C)([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccncc1 ZINC000589163439 518935214 /nfs/dbraw/zinc/93/52/14/518935214.db2.gz BYGJAZAYKYDMQV-GOSISDBHSA-N 1 2 359.382 2.567 20 5 FFBDLO COCCC[N@H+](Cc1ccncc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589195950 518947948 /nfs/dbraw/zinc/94/79/48/518947948.db2.gz AIYVNUCILNVZBZ-UHFFFAOYSA-N 1 2 373.409 2.800 20 5 FFBDLO COCCC[N@@H+](Cc1ccncc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589195950 518947953 /nfs/dbraw/zinc/94/79/53/518947953.db2.gz AIYVNUCILNVZBZ-UHFFFAOYSA-N 1 2 373.409 2.800 20 5 FFBDLO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CC(n2cc[nH+]c2)C1 ZINC000577347353 519033841 /nfs/dbraw/zinc/03/38/41/519033841.db2.gz YYBSHLNAHCENMZ-UHFFFAOYSA-N 1 2 363.246 2.902 20 5 FFBDLO O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CC(Oc2cc[nH+]cc2)C1 ZINC000590210592 519173998 /nfs/dbraw/zinc/17/39/98/519173998.db2.gz DIOQWMKGIUVARY-UHFFFAOYSA-N 1 2 367.283 2.912 20 5 FFBDLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000590686001 519315916 /nfs/dbraw/zinc/31/59/16/519315916.db2.gz SRGLJVSYQBHNMR-GOSISDBHSA-N 1 2 367.405 2.861 20 5 FFBDLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000590686001 519315925 /nfs/dbraw/zinc/31/59/25/519315925.db2.gz SRGLJVSYQBHNMR-GOSISDBHSA-N 1 2 367.405 2.861 20 5 FFBDLO CC(C)Oc1cc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)ccc1[N+](=O)[O-] ZINC000591048528 519490742 /nfs/dbraw/zinc/49/07/42/519490742.db2.gz MCCLWZGSYPCKPJ-UHFFFAOYSA-N 1 2 357.366 2.680 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@H]1CCO[C@H](C2CC2)C1 ZINC000581051798 519495284 /nfs/dbraw/zinc/49/52/84/519495284.db2.gz HCTHDLIWAVMVCE-LPHOPBHVSA-N 1 2 361.442 2.797 20 5 FFBDLO COc1cc(C[N@H+](C)Cc2c[nH]nc2C)c([N+](=O)[O-])cc1OC(F)F ZINC000602939247 519982592 /nfs/dbraw/zinc/98/25/92/519982592.db2.gz UQZKSCFANAENDT-UHFFFAOYSA-N 1 2 356.329 2.868 20 5 FFBDLO COc1cc(C[N@@H+](C)Cc2c[nH]nc2C)c([N+](=O)[O-])cc1OC(F)F ZINC000602939247 519982600 /nfs/dbraw/zinc/98/26/00/519982600.db2.gz UQZKSCFANAENDT-UHFFFAOYSA-N 1 2 356.329 2.868 20 5 FFBDLO CC[C@@]1(O)CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000602983251 520005414 /nfs/dbraw/zinc/00/54/14/520005414.db2.gz GHHPQWOTXLZJQV-BDJLRTHQSA-N 1 2 355.822 2.812 20 5 FFBDLO CC[C@@]1(O)CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000602983251 520005416 /nfs/dbraw/zinc/00/54/16/520005416.db2.gz GHHPQWOTXLZJQV-BDJLRTHQSA-N 1 2 355.822 2.812 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c1 ZINC000612600035 520042947 /nfs/dbraw/zinc/04/29/47/520042947.db2.gz UNZGAVAMODXIEY-UHFFFAOYSA-N 1 2 373.394 2.593 20 5 FFBDLO O=C1C[C@H]([NH+]2CCC(c3ccco3)CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000594661416 520072152 /nfs/dbraw/zinc/07/21/52/520072152.db2.gz YNIZJYXQGYFFSA-INIZCTEOSA-N 1 2 369.377 2.699 20 5 FFBDLO C[C@H](NC(=O)NCc1[nH+]ccn1CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000609049282 520183064 /nfs/dbraw/zinc/18/30/64/520183064.db2.gz GXEOGVVSMFRTJA-JTQLQIEISA-N 1 2 371.319 2.914 20 5 FFBDLO O=c1cc(C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)occ1O ZINC000592130300 520204046 /nfs/dbraw/zinc/20/40/46/520204046.db2.gz AXIPXXIUZPPDLX-SHTZXODSSA-N 1 2 374.393 2.559 20 5 FFBDLO O=c1cc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)occ1O ZINC000592130300 520204053 /nfs/dbraw/zinc/20/40/53/520204053.db2.gz AXIPXXIUZPPDLX-SHTZXODSSA-N 1 2 374.393 2.559 20 5 FFBDLO Cc1cc(NCCNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)nc(C(C)C)[nH+]1 ZINC000600368406 520228499 /nfs/dbraw/zinc/22/84/99/520228499.db2.gz YBEKLNAHFDETIR-AWEZNQCLSA-N 1 2 371.441 2.570 20 5 FFBDLO C[C@H]1CN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3)c[nH+]2)C[C@H](C)O1 ZINC000603665190 520338278 /nfs/dbraw/zinc/33/82/78/520338278.db2.gz QGXWVZDXHYQWTQ-KBPBESRZSA-N 1 2 370.409 2.533 20 5 FFBDLO C[C@@H]1C[N@H+](CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@H](C)CO1 ZINC000597995044 520366195 /nfs/dbraw/zinc/36/61/95/520366195.db2.gz DNTBVAPXTATFQB-VXGBXAGGSA-N 1 2 363.439 2.649 20 5 FFBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@H](C)CO1 ZINC000597995044 520366200 /nfs/dbraw/zinc/36/62/00/520366200.db2.gz DNTBVAPXTATFQB-VXGBXAGGSA-N 1 2 363.439 2.649 20 5 FFBDLO CC(=O)c1ccccc1OCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000603849123 520376934 /nfs/dbraw/zinc/37/69/34/520376934.db2.gz HOHOOPNMNJQUCD-UHFFFAOYSA-N 1 2 369.421 2.998 20 5 FFBDLO COc1ccc(CNc2cc(C)[nH+]c(-c3cccnc3)n2)cc1[N+](=O)[O-] ZINC000603933318 520408792 /nfs/dbraw/zinc/40/87/92/520408792.db2.gz DERAPQNWJLIJFA-UHFFFAOYSA-N 1 2 351.366 2.798 20 5 FFBDLO Cc1noc(C[N@@H+]2CCCN(C(=O)CCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000595341517 520417882 /nfs/dbraw/zinc/41/78/82/520417882.db2.gz BYWWLXNHKBZSET-UHFFFAOYSA-N 1 2 372.425 2.558 20 5 FFBDLO Cc1noc(C[N@H+]2CCCN(C(=O)CCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000595341517 520417894 /nfs/dbraw/zinc/41/78/94/520417894.db2.gz BYWWLXNHKBZSET-UHFFFAOYSA-N 1 2 372.425 2.558 20 5 FFBDLO Cc1cc2c(ncnc2N2CC[NH+](Cc3onc(C)c3[N+](=O)[O-])CC2)s1 ZINC000595472690 520493073 /nfs/dbraw/zinc/49/30/73/520493073.db2.gz RKJQXYJIXKSQFY-UHFFFAOYSA-N 1 2 374.426 2.527 20 5 FFBDLO CC(C)(C(=O)NCc1[nH+]ccn1CC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000610064225 520520931 /nfs/dbraw/zinc/52/09/31/520520931.db2.gz ZPAJAKAPCAMACG-UHFFFAOYSA-N 1 2 370.331 2.948 20 5 FFBDLO Cc1noc(C[NH+]2CCC(Cc3nc([C@H]4C[C@@H]4C)no3)CC2)c1[N+](=O)[O-] ZINC000595557440 520551387 /nfs/dbraw/zinc/55/13/87/520551387.db2.gz IRTYGWUSENATAJ-GWCFXTLKSA-N 1 2 361.402 2.852 20 5 FFBDLO COc1cc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000604565949 520607668 /nfs/dbraw/zinc/60/76/68/520607668.db2.gz VGDGDTFLMWXQLI-KRWDZBQOSA-N 1 2 366.377 2.856 20 5 FFBDLO C[C@@H]1CCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@H]1n1cc[nH+]c1 ZINC000601129362 520650141 /nfs/dbraw/zinc/65/01/41/520650141.db2.gz GUULZDXAKQKZPI-NXEZZACHSA-N 1 2 358.324 2.631 20 5 FFBDLO COc1cc(C(=O)NCCc2cn3cccc(C)c3[nH+]2)ccc1[N+](=O)[O-] ZINC000610434746 520681645 /nfs/dbraw/zinc/68/16/45/520681645.db2.gz JXVLCLKPVIDYLK-UHFFFAOYSA-N 1 2 354.366 2.532 20 5 FFBDLO C[C@@H](C(=O)NCCNc1ccc2ccccc2[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000617736422 520690228 /nfs/dbraw/zinc/69/02/28/520690228.db2.gz SUEZYMZCPMJZDC-CQSZACIVSA-N 1 2 364.405 2.897 20 5 FFBDLO COc1ccc(C2CC[NH+](CC(=O)Nc3ccccc3[N+](=O)[O-])CC2)nc1 ZINC000593040978 520702297 /nfs/dbraw/zinc/70/22/97/520702297.db2.gz LDTHEMFWTSNPJV-UHFFFAOYSA-N 1 2 370.409 2.817 20 5 FFBDLO CCOc1cc(N2CCN(c3[nH+]cccc3OC)CC2)ccc1[N+](=O)[O-] ZINC000610515236 520723714 /nfs/dbraw/zinc/72/37/14/520723714.db2.gz KQBGPJSFWCYVFL-UHFFFAOYSA-N 1 2 358.398 2.724 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000610855221 520875133 /nfs/dbraw/zinc/87/51/33/520875133.db2.gz BMDMYAUUSUHAIK-UHFFFAOYSA-N 1 2 373.394 2.593 20 5 FFBDLO COc1cc(N2CC[NH+](C[C@H]3CCCO3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596052678 520879738 /nfs/dbraw/zinc/87/97/38/520879738.db2.gz GXMQACIALSABJE-GFCCVEGCSA-N 1 2 355.822 2.558 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1CNc1nc(C)[nH+]c(C)c1Br ZINC000596084194 520903350 /nfs/dbraw/zinc/90/33/50/520903350.db2.gz XDFVCXJSEUYMEY-UHFFFAOYSA-N 1 2 367.203 2.807 20 5 FFBDLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000598950880 520938016 /nfs/dbraw/zinc/93/80/16/520938016.db2.gz VGZULUUYYCLVFJ-VIFPVBQESA-N 1 2 354.288 2.555 20 5 FFBDLO O=[N+]([O-])c1ncccc1N1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000611030342 520954023 /nfs/dbraw/zinc/95/40/23/520954023.db2.gz IOVNEQLRVDPYNN-UHFFFAOYSA-N 1 2 355.423 2.922 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(C(F)(F)F)cn3)CC2)cn1 ZINC000618272838 520976676 /nfs/dbraw/zinc/97/66/76/520976676.db2.gz WFGSDZFAHYJQIT-UHFFFAOYSA-N 1 2 367.331 2.726 20 5 FFBDLO O=C([C@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1)N1CCCC1 ZINC000599043905 520996597 /nfs/dbraw/zinc/99/65/97/520996597.db2.gz OKGRMJPDYLMZON-HNNXBMFYSA-N 1 2 354.410 2.982 20 5 FFBDLO O=[N+]([O-])c1cc2ccccc2nc1N(CC[NH+]1CCOCC1)CC1CC1 ZINC000596513560 521107283 /nfs/dbraw/zinc/10/72/83/521107283.db2.gz BBEOYHZGPSECMA-UHFFFAOYSA-N 1 2 356.426 2.692 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CC(N4CC[C@@H](O)C4)C3)s2)cc1 ZINC000593679675 521150690 /nfs/dbraw/zinc/15/06/90/521150690.db2.gz GGQDORRDMLXUQD-MRXNPFEDSA-N 1 2 359.451 2.574 20 5 FFBDLO COc1cc(Cc2noc(Cc3c[nH+]ccc3C)n2)c([N+](=O)[O-])c(OC)c1 ZINC000596597108 521153498 /nfs/dbraw/zinc/15/34/98/521153498.db2.gz IUNWHTWJECYUIZ-UHFFFAOYSA-N 1 2 370.365 2.880 20 5 FFBDLO C[NH+](C)[C@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)c1c(F)cccc1F ZINC000611704777 521289059 /nfs/dbraw/zinc/28/90/59/521289059.db2.gz AUVZQXWQGCSXIL-MRXNPFEDSA-N 1 2 373.363 2.953 20 5 FFBDLO NC(=O)C[N@H+](Cc1cc(Br)c([N+](=O)[O-])s1)C1CCCC1 ZINC000602438794 521346808 /nfs/dbraw/zinc/34/68/08/521346808.db2.gz ALOVCTBSBLDALL-UHFFFAOYSA-N 1 2 362.249 2.649 20 5 FFBDLO NC(=O)C[N@@H+](Cc1cc(Br)c([N+](=O)[O-])s1)C1CCCC1 ZINC000602438794 521346816 /nfs/dbraw/zinc/34/68/16/521346816.db2.gz ALOVCTBSBLDALL-UHFFFAOYSA-N 1 2 362.249 2.649 20 5 FFBDLO O=C(NC1CC1)[C@H]1CCC[N@H+]1Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602442966 521349152 /nfs/dbraw/zinc/34/91/52/521349152.db2.gz DGQVPWKQWBLIKY-CYBMUJFWSA-N 1 2 357.332 2.857 20 5 FFBDLO O=C(NC1CC1)[C@H]1CCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602442966 521349162 /nfs/dbraw/zinc/34/91/62/521349162.db2.gz DGQVPWKQWBLIKY-CYBMUJFWSA-N 1 2 357.332 2.857 20 5 FFBDLO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H](O)C(F)(F)F ZINC000594017330 521351492 /nfs/dbraw/zinc/35/14/92/521351492.db2.gz DGVSDJRTUBKDSG-LBPRGKRZSA-N 1 2 356.728 2.620 20 5 FFBDLO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H](O)C(F)(F)F ZINC000594017330 521351502 /nfs/dbraw/zinc/35/15/02/521351502.db2.gz DGVSDJRTUBKDSG-LBPRGKRZSA-N 1 2 356.728 2.620 20 5 FFBDLO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602452329 521354151 /nfs/dbraw/zinc/35/41/51/521354151.db2.gz VLYHSSYPIMCFMP-MRVPVSSYSA-N 1 2 362.249 2.649 20 5 FFBDLO NC(=O)C[C@H]1CCCC[N@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602452329 521354160 /nfs/dbraw/zinc/35/41/60/521354160.db2.gz VLYHSSYPIMCFMP-MRVPVSSYSA-N 1 2 362.249 2.649 20 5 FFBDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)Cc2ccccc21 ZINC000599666620 521378976 /nfs/dbraw/zinc/37/89/76/521378976.db2.gz NVEPNPDKIIOUQQ-QGZVFWFLSA-N 1 2 356.378 2.876 20 5 FFBDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)Cc2ccccc21 ZINC000599666620 521378982 /nfs/dbraw/zinc/37/89/82/521378982.db2.gz NVEPNPDKIIOUQQ-QGZVFWFLSA-N 1 2 356.378 2.876 20 5 FFBDLO C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000602643406 521453075 /nfs/dbraw/zinc/45/30/75/521453075.db2.gz GAJPWYCTWOJHSC-NHYWBVRUSA-N 1 2 360.332 2.993 20 5 FFBDLO C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000602643406 521453079 /nfs/dbraw/zinc/45/30/79/521453079.db2.gz GAJPWYCTWOJHSC-NHYWBVRUSA-N 1 2 360.332 2.993 20 5 FFBDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CCO2 ZINC000602653188 521458606 /nfs/dbraw/zinc/45/86/06/521458606.db2.gz ZKBVYQHTGZNEBX-IAQYHMDHSA-N 1 2 360.332 2.993 20 5 FFBDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CCO2 ZINC000602653188 521458613 /nfs/dbraw/zinc/45/86/13/521458613.db2.gz ZKBVYQHTGZNEBX-IAQYHMDHSA-N 1 2 360.332 2.993 20 5 FFBDLO CC(C)c1nnc(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)[nH]1 ZINC000602674337 521473371 /nfs/dbraw/zinc/47/33/71/521473371.db2.gz OPAULXCTUJMPGK-UHFFFAOYSA-N 1 2 360.237 2.950 20 5 FFBDLO O=[N+]([O-])c1sc(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)cc1Br ZINC000602707296 521487056 /nfs/dbraw/zinc/48/70/56/521487056.db2.gz SJIKFNOULFBNSK-SECBINFHSA-N 1 2 372.248 2.532 20 5 FFBDLO O=[N+]([O-])c1sc(C[N@H+]2CC[C@@H](Cn3ccnn3)C2)cc1Br ZINC000602707296 521487061 /nfs/dbraw/zinc/48/70/61/521487061.db2.gz SJIKFNOULFBNSK-SECBINFHSA-N 1 2 372.248 2.532 20 5 FFBDLO Nc1c(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597094341 521499502 /nfs/dbraw/zinc/49/95/02/521499502.db2.gz DVKBZNVEJCGPOU-VIFPVBQESA-N 1 2 364.793 2.965 20 5 FFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C(=O)N2CCCC2)CC1 ZINC000615833458 521550624 /nfs/dbraw/zinc/55/06/24/521550624.db2.gz KACJVQLEFZJWTN-DTQAZKPQSA-N 1 2 358.442 2.832 20 5 FFBDLO Cn1ncc2c1CC(C)(C)C[N@H+](Cc1cc3c(cc1[N+](=O)[O-])OCCO3)C2 ZINC000597258774 521600336 /nfs/dbraw/zinc/60/03/36/521600336.db2.gz RJFABBPSQIFNDX-UHFFFAOYSA-N 1 2 372.425 2.684 20 5 FFBDLO Cn1ncc2c1CC(C)(C)C[N@@H+](Cc1cc3c(cc1[N+](=O)[O-])OCCO3)C2 ZINC000597258774 521600340 /nfs/dbraw/zinc/60/03/40/521600340.db2.gz RJFABBPSQIFNDX-UHFFFAOYSA-N 1 2 372.425 2.684 20 5 FFBDLO O=C(CC[N@@H+]1CCOc2cccc(F)c2C1)Nc1ccccc1[N+](=O)[O-] ZINC000619782783 521869056 /nfs/dbraw/zinc/86/90/56/521869056.db2.gz KPSZNXVISZPUCV-UHFFFAOYSA-N 1 2 359.357 2.957 20 5 FFBDLO O=C(CC[N@H+]1CCOc2cccc(F)c2C1)Nc1ccccc1[N+](=O)[O-] ZINC000619782783 521869067 /nfs/dbraw/zinc/86/90/67/521869067.db2.gz KPSZNXVISZPUCV-UHFFFAOYSA-N 1 2 359.357 2.957 20 5 FFBDLO O=C(N=c1ccc(C2CC2)n[nH]1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000523846137 562220797 /nfs/dbraw/zinc/22/07/97/562220797.db2.gz YVEHFJIQYRFQFS-UHFFFAOYSA-N 1 2 350.338 2.700 20 5 FFBDLO C[C@@H](O)CNc1[nH+]c2ccccc2n1CCOc1ccccc1[N+](=O)[O-] ZINC000541125877 562603735 /nfs/dbraw/zinc/60/37/35/562603735.db2.gz LVHZMOJKWOCYCB-CYBMUJFWSA-N 1 2 356.382 2.816 20 5 FFBDLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)c1cccc([N+](=O)[O-])c1Br ZINC000898497380 735370135 /nfs/dbraw/zinc/37/01/35/735370135.db2.gz BMPASVSGTWAPER-SNVBAGLBSA-N 1 2 374.210 2.521 20 5 FFBDLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)c1cccc([N+](=O)[O-])c1Br ZINC000898497380 735370138 /nfs/dbraw/zinc/37/01/38/735370138.db2.gz BMPASVSGTWAPER-SNVBAGLBSA-N 1 2 374.210 2.521 20 5 FFBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC000075656005 728250697 /nfs/dbraw/zinc/25/06/97/728250697.db2.gz MBXLBIORPHLUJY-UHFFFAOYSA-N 1 2 359.363 2.857 20 5 FFBDLO Cc1cc(S(=O)(=O)Oc2cccc(-n3cc[nH+]c3)c2)ccc1[N+](=O)[O-] ZINC000172601635 729028836 /nfs/dbraw/zinc/02/88/36/729028836.db2.gz KZTAYFZLZADSHU-UHFFFAOYSA-N 1 2 359.363 2.857 20 5 FFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000856792408 730357987 /nfs/dbraw/zinc/35/79/87/730357987.db2.gz RFOKMNQOJBNWIK-GRYCIOLGSA-N 1 2 355.822 2.526 20 5 FFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000856792408 730357990 /nfs/dbraw/zinc/35/79/90/730357990.db2.gz RFOKMNQOJBNWIK-GRYCIOLGSA-N 1 2 355.822 2.526 20 5 FFBDLO C[C@@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCCCCC1 ZINC000859566630 730459207 /nfs/dbraw/zinc/45/92/07/730459207.db2.gz JWIUAGPSWGDIFL-LBPRGKRZSA-N 1 2 352.362 2.724 20 5 FFBDLO O=C(C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000917174460 737744700 /nfs/dbraw/zinc/74/47/00/737744700.db2.gz SXQQIIDPTPRZDW-NSHDSACASA-N 1 2 363.805 2.789 20 5 FFBDLO O=C(C[N@H+]1CCC[C@H](c2cc[nH]n2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000917174460 737744703 /nfs/dbraw/zinc/74/47/03/737744703.db2.gz SXQQIIDPTPRZDW-NSHDSACASA-N 1 2 363.805 2.789 20 5 FFBDLO C[NH+](C)Cc1csc(CNC(=O)CSc2ccccc2[N+](=O)[O-])n1 ZINC000927773961 738782279 /nfs/dbraw/zinc/78/22/79/738782279.db2.gz NMNKRVMFJHPQFJ-UHFFFAOYSA-N 1 2 366.468 2.521 20 5 FFBDLO C[N@@H+]1CCc2nc(NC(=O)[C@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)sc2C1 ZINC000891637694 734455027 /nfs/dbraw/zinc/45/50/27/734455027.db2.gz DCOUVHVEXXSEJE-OLZOCXBDSA-N 1 2 358.423 2.781 20 5 FFBDLO C[N@H+]1CCc2nc(NC(=O)[C@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)sc2C1 ZINC000891637694 734455030 /nfs/dbraw/zinc/45/50/30/734455030.db2.gz DCOUVHVEXXSEJE-OLZOCXBDSA-N 1 2 358.423 2.781 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCC(CCO)CC1 ZINC000730261400 734623555 /nfs/dbraw/zinc/62/35/55/734623555.db2.gz ZFMPCBFRIXOXOH-LLVKDONJSA-N 1 2 355.822 2.670 20 5 FFBDLO C[C@H](CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000731976184 734710577 /nfs/dbraw/zinc/71/05/77/734710577.db2.gz NFNURNMGKUICTI-SNVBAGLBSA-N 1 2 374.369 2.536 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@H](CCO)C1 ZINC000735870817 734964263 /nfs/dbraw/zinc/96/42/63/734964263.db2.gz FKPWJVJCVTUFDJ-VXGBXAGGSA-N 1 2 355.822 2.670 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@H](CCO)C1 ZINC000735870817 734964264 /nfs/dbraw/zinc/96/42/64/734964264.db2.gz FKPWJVJCVTUFDJ-VXGBXAGGSA-N 1 2 355.822 2.670 20 5 FFBDLO O=C(C[NH+]1CCC([C@H]2CCOC2)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000784343506 738881090 /nfs/dbraw/zinc/88/10/90/738881090.db2.gz HBEZJLRXFVUFPG-ZDUSSCGKSA-N 1 2 367.833 2.935 20 5 FFBDLO C[C@@H]1C[N@@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C[C@H](C)S1 ZINC000752791491 736012869 /nfs/dbraw/zinc/01/28/69/736012869.db2.gz HDEZVQDJCQTPEN-BETUJISGSA-N 1 2 350.444 2.620 20 5 FFBDLO C[C@@H]1C[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C[C@H](C)S1 ZINC000752791491 736012871 /nfs/dbraw/zinc/01/28/71/736012871.db2.gz HDEZVQDJCQTPEN-BETUJISGSA-N 1 2 350.444 2.620 20 5 FFBDLO CS(=O)(=O)c1cccc([C@H]([NH2+]CC[N+](=O)[O-])c2ccc(Cl)cc2)c1 ZINC000905133264 736301039 /nfs/dbraw/zinc/30/10/39/736301039.db2.gz GDHCVPALVGCNCU-MRXNPFEDSA-N 1 2 368.842 2.699 20 5 FFBDLO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CCS[C@@H]4COCC[C@@H]43)c2c(Cl)c1 ZINC000774640402 738008714 /nfs/dbraw/zinc/00/87/14/738008714.db2.gz RYIRGKJEYJDXJH-UONOGXRCSA-N 1 2 368.846 2.762 20 5 FFBDLO O=[N+]([O-])c1cc2cnn(C[N@H+]3CCS[C@@H]4COCC[C@@H]43)c2c(Cl)c1 ZINC000774640402 738008715 /nfs/dbraw/zinc/00/87/15/738008715.db2.gz RYIRGKJEYJDXJH-UONOGXRCSA-N 1 2 368.846 2.762 20 5 FFBDLO CNC(=O)C1([NH2+]Cc2c(Br)cccc2[N+](=O)[O-])CCCC1 ZINC000929981857 739045155 /nfs/dbraw/zinc/04/51/55/739045155.db2.gz UQIUUGHEWLVLAJ-UHFFFAOYSA-N 1 2 356.220 2.506 20 5 FFBDLO Cc1ccc(NCC[N@H+]2CCOC[C@H]2C)c([N+](=O)[O-])c1Br ZINC000804431168 740872328 /nfs/dbraw/zinc/87/23/28/740872328.db2.gz LBWVOZPGBOQJLY-LLVKDONJSA-N 1 2 358.236 2.798 20 5 FFBDLO Cc1ccc(NCC[N@@H+]2CCOC[C@H]2C)c([N+](=O)[O-])c1Br ZINC000804431168 740872329 /nfs/dbraw/zinc/87/23/29/740872329.db2.gz LBWVOZPGBOQJLY-LLVKDONJSA-N 1 2 358.236 2.798 20 5 FFBDLO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000808189195 741196598 /nfs/dbraw/zinc/19/65/98/741196598.db2.gz MBDHTWRSRJNNPF-ZDUSSCGKSA-N 1 2 353.423 2.518 20 5 FFBDLO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000808189195 741196599 /nfs/dbraw/zinc/19/65/99/741196599.db2.gz MBDHTWRSRJNNPF-ZDUSSCGKSA-N 1 2 353.423 2.518 20 5 FFBDLO C[N@H+](Cc1c(F)cccc1Cl)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985432295 741395438 /nfs/dbraw/zinc/39/54/38/741395438.db2.gz YVMPDNSKGQWTHK-MLGOLLRUSA-N 1 2 369.824 2.567 20 5 FFBDLO C[N@@H+](Cc1c(F)cccc1Cl)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985432295 741395444 /nfs/dbraw/zinc/39/54/44/741395444.db2.gz YVMPDNSKGQWTHK-MLGOLLRUSA-N 1 2 369.824 2.567 20 5 FFBDLO Cc1cc([NH+](C)C)ccc1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000819408257 742387348 /nfs/dbraw/zinc/38/73/48/742387348.db2.gz CICGYYGNBCBOAM-UHFFFAOYSA-N 1 2 363.439 2.855 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](CCOC(C)C)CC2)cc1Cl ZINC000836735338 746293743 /nfs/dbraw/zinc/29/37/43/746293743.db2.gz KFLAPCSGVPCSRM-UHFFFAOYSA-N 1 2 369.849 2.739 20 5 FFBDLO O=C1C[C@@H](C(F)F)CN1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000840128330 747013006 /nfs/dbraw/zinc/01/30/06/747013006.db2.gz WFMVCJCAWANSHZ-UONOGXRCSA-N 1 2 353.369 2.845 20 5 FFBDLO O=C1C[C@@H](C(F)F)CN1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000840128330 747013008 /nfs/dbraw/zinc/01/30/08/747013008.db2.gz WFMVCJCAWANSHZ-UONOGXRCSA-N 1 2 353.369 2.845 20 5 FFBDLO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)C1SCCS1 ZINC000842366598 747580531 /nfs/dbraw/zinc/58/05/31/747580531.db2.gz NEXFMOBTKNZWCC-ZDUSSCGKSA-N 1 2 354.453 2.518 20 5 FFBDLO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)C1SCCS1 ZINC000842366598 747580538 /nfs/dbraw/zinc/58/05/38/747580538.db2.gz NEXFMOBTKNZWCC-ZDUSSCGKSA-N 1 2 354.453 2.518 20 5 FFBDLO C[C@H]([C@H](OC(=O)C[N@H+](C)[C@@H]1CCSC1)c1ccccc1F)[N+](=O)[O-] ZINC000845875553 748341935 /nfs/dbraw/zinc/34/19/35/748341935.db2.gz LQAYOUWIPYLYEG-HSMVNMDESA-N 1 2 356.419 2.513 20 5 FFBDLO C[C@H]([C@H](OC(=O)C[N@@H+](C)[C@@H]1CCSC1)c1ccccc1F)[N+](=O)[O-] ZINC000845875553 748341943 /nfs/dbraw/zinc/34/19/43/748341943.db2.gz LQAYOUWIPYLYEG-HSMVNMDESA-N 1 2 356.419 2.513 20 5 FFBDLO Cc1nn(C[N@@H+]2CC[C@H](C(F)(F)F)O[C@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000872816781 1013266735 /nfs/dbraw/zinc/26/67/35/1013266735.db2.gz OFOZPUCFKSMQCB-NOZJJQNGSA-N 1 2 373.335 2.647 20 5 FFBDLO Cc1nn(C[N@H+]2CC[C@H](C(F)(F)F)O[C@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000872816781 1013266738 /nfs/dbraw/zinc/26/67/38/1013266738.db2.gz OFOZPUCFKSMQCB-NOZJJQNGSA-N 1 2 373.335 2.647 20 5 FFBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)NCCCN(C)c1cccc[nH+]1 ZINC001175707059 1013551393 /nfs/dbraw/zinc/55/13/93/1013551393.db2.gz HPXROHDBSXDVDC-UHFFFAOYSA-N 1 2 358.398 2.645 20 5 FFBDLO C/C(=C\C(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000785178040 968113473 /nfs/dbraw/zinc/11/34/73/968113473.db2.gz YXICQRQNYWIGEA-WYMLVPIESA-N 1 2 354.410 2.890 20 5 FFBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@@H](O)c1ccccc1 ZINC001141761137 969108381 /nfs/dbraw/zinc/10/83/81/969108381.db2.gz BDPDJMWPGCULAZ-FZKQIMNGSA-N 1 2 366.377 2.632 20 5 FFBDLO COc1cc(C(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000874896332 1013927376 /nfs/dbraw/zinc/92/73/76/1013927376.db2.gz LJKFIFBYVWYIJC-HNNXBMFYSA-N 1 2 359.357 2.529 20 5 FFBDLO Cc1ncsc1CN(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001126075451 974177284 /nfs/dbraw/zinc/17/72/84/974177284.db2.gz DQJAHFUHRNRAJD-UHFFFAOYSA-N 1 2 357.395 2.818 20 5 FFBDLO O=c1[nH]ccc2oc(C[NH+]3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc21 ZINC000876529433 1014294248 /nfs/dbraw/zinc/29/42/48/1014294248.db2.gz CTVJPHZPAJEGOZ-UHFFFAOYSA-N 1 2 354.366 2.764 20 5 FFBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000126229660 977927692 /nfs/dbraw/zinc/92/76/92/977927692.db2.gz ZNTGLCKLYJTAKE-UHFFFAOYSA-N 1 2 374.466 2.726 20 5 FFBDLO COc1ccc(CNC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000130006174 979634458 /nfs/dbraw/zinc/63/44/58/979634458.db2.gz MLCGUDJQEBRFAD-UHFFFAOYSA-N 1 2 369.421 2.884 20 5 FFBDLO COc1ccc(CNC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000130006174 979634464 /nfs/dbraw/zinc/63/44/64/979634464.db2.gz MLCGUDJQEBRFAD-UHFFFAOYSA-N 1 2 369.421 2.884 20 5 FFBDLO O=C(c1cc([N+](=O)[O-])ccc1F)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910778842 982059220 /nfs/dbraw/zinc/05/92/20/982059220.db2.gz BZNHIIXFXYZWQA-UHFFFAOYSA-N 1 2 355.369 2.834 20 5 FFBDLO O=C(c1cc([N+](=O)[O-])ccc1F)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910778842 982059226 /nfs/dbraw/zinc/05/92/26/982059226.db2.gz BZNHIIXFXYZWQA-UHFFFAOYSA-N 1 2 355.369 2.834 20 5 FFBDLO COc1cc(-c2noc(-c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)n2)ccn1 ZINC000172251003 985499763 /nfs/dbraw/zinc/49/97/63/985499763.db2.gz SBIJGXIBMVTZHV-UHFFFAOYSA-N 1 2 364.321 2.901 20 5 FFBDLO CC(C)[N@H+](CCc1nccs1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000151535963 986454442 /nfs/dbraw/zinc/45/44/42/986454442.db2.gz NNCWEPOEARELNF-UHFFFAOYSA-N 1 2 374.422 2.558 20 5 FFBDLO CC(C)[N@@H+](CCc1nccs1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000151535963 986454449 /nfs/dbraw/zinc/45/44/49/986454449.db2.gz NNCWEPOEARELNF-UHFFFAOYSA-N 1 2 374.422 2.558 20 5 FFBDLO Cc1nn(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000176496694 987492058 /nfs/dbraw/zinc/49/20/58/987492058.db2.gz UBRSGIHIUWKJJW-INIZCTEOSA-N 1 2 371.441 2.508 20 5 FFBDLO Cc1nn(C[N@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000176496694 987492061 /nfs/dbraw/zinc/49/20/61/987492061.db2.gz UBRSGIHIUWKJJW-INIZCTEOSA-N 1 2 371.441 2.508 20 5 FFBDLO Cc1cc(CNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cc(C)[nH+]1 ZINC001212219241 990102862 /nfs/dbraw/zinc/10/28/62/990102862.db2.gz CHFQBESEKRYAMG-UHFFFAOYSA-N 1 2 373.793 2.878 20 5 FFBDLO CC(C)c1cc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)nn1C ZINC000813170534 995631976 /nfs/dbraw/zinc/63/19/76/995631976.db2.gz QFHKRCBYDVWEQL-INIZCTEOSA-N 1 2 372.425 2.883 20 5 FFBDLO CC(C)c1cc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)nn1C ZINC000813170534 995631982 /nfs/dbraw/zinc/63/19/82/995631982.db2.gz QFHKRCBYDVWEQL-INIZCTEOSA-N 1 2 372.425 2.883 20 5 FFBDLO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)OCc1cccc([N+](=O)[O-])c1 ZINC000740702135 999680885 /nfs/dbraw/zinc/68/08/85/999680885.db2.gz NKCGPCAPGDONHJ-IBGZPJMESA-N 1 2 370.405 2.929 20 5 FFBDLO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)OCc1cccc([N+](=O)[O-])c1 ZINC000740702135 999680886 /nfs/dbraw/zinc/68/08/86/999680886.db2.gz NKCGPCAPGDONHJ-IBGZPJMESA-N 1 2 370.405 2.929 20 5 FFBDLO CCOC(=O)[C@@H]1c2ccc(OC)cc2CC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169052050 1000019023 /nfs/dbraw/zinc/01/90/23/1000019023.db2.gz FTGNXZQTDKLDFQ-JOQOYGCGSA-N 1 2 362.426 2.603 20 5 FFBDLO CCOC(=O)[C@@H]1c2ccc(OC)cc2CC[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169052050 1000019024 /nfs/dbraw/zinc/01/90/24/1000019024.db2.gz FTGNXZQTDKLDFQ-JOQOYGCGSA-N 1 2 362.426 2.603 20 5 FFBDLO C[C@](O)(C1CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1)C(F)(F)F ZINC000767517267 1000119450 /nfs/dbraw/zinc/11/94/50/1000119450.db2.gz YVHXMBJAOMDLQW-HNNXBMFYSA-N 1 2 372.347 2.927 20 5 FFBDLO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000769745890 1000596791 /nfs/dbraw/zinc/59/67/91/1000596791.db2.gz GVASBQRDGWYTBP-NSHDSACASA-N 1 2 363.418 2.816 20 5 FFBDLO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000769745890 1000596793 /nfs/dbraw/zinc/59/67/93/1000596793.db2.gz GVASBQRDGWYTBP-NSHDSACASA-N 1 2 363.418 2.816 20 5 FFBDLO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000769745888 1000597301 /nfs/dbraw/zinc/59/73/01/1000597301.db2.gz GVASBQRDGWYTBP-LLVKDONJSA-N 1 2 363.418 2.816 20 5 FFBDLO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000769745888 1000597310 /nfs/dbraw/zinc/59/73/10/1000597310.db2.gz GVASBQRDGWYTBP-LLVKDONJSA-N 1 2 363.418 2.816 20 5 FFBDLO C[C@H](O)CNc1[nH+]c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000789570703 1002119978 /nfs/dbraw/zinc/11/99/78/1002119978.db2.gz KEVKWQCCYREPCE-NSHDSACASA-N 1 2 371.353 2.694 20 5 FFBDLO COc1ccc(CC(N)=[NH+]OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000789588923 1002125365 /nfs/dbraw/zinc/12/53/65/1002125365.db2.gz PXVCVKRVEFURDH-UHFFFAOYSA-N 1 2 360.326 2.753 20 5 FFBDLO O=[N+]([O-])c1cn(C[N@@H+]2CCOCC3(CCCC3)C2)nc1-c1ccncc1 ZINC000774648971 1002311372 /nfs/dbraw/zinc/31/13/72/1002311372.db2.gz AAMLCOVKMURZAO-UHFFFAOYSA-N 1 2 357.414 2.703 20 5 FFBDLO O=[N+]([O-])c1cn(C[N@H+]2CCOCC3(CCCC3)C2)nc1-c1ccncc1 ZINC000774648971 1002311386 /nfs/dbraw/zinc/31/13/86/1002311386.db2.gz AAMLCOVKMURZAO-UHFFFAOYSA-N 1 2 357.414 2.703 20 5 FFBDLO C[C@H]1OCC[C@@]12C[N@H+](Cn1cc(-c3cccc([N+](=O)[O-])c3)cn1)C[C@@H](C)O2 ZINC000790401407 1002371650 /nfs/dbraw/zinc/37/16/50/1002371650.db2.gz 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20 5 FFBDLO C[C@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C(=O)OC(C)(C)C ZINC000776591379 1005985645 /nfs/dbraw/zinc/98/56/45/1005985645.db2.gz LTYLUEWPJKEXFO-BBRMVZONSA-N 1 2 365.430 2.569 20 5 FFBDLO C[C@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C(=O)OC(C)(C)C ZINC000776591379 1005985650 /nfs/dbraw/zinc/98/56/50/1005985650.db2.gz LTYLUEWPJKEXFO-BBRMVZONSA-N 1 2 365.430 2.569 20 5 FFBDLO O=C(N[C@@H]1CCC[C@]12CCCO2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000882613475 1006454791 /nfs/dbraw/zinc/45/47/91/1006454791.db2.gz VAEGREQXOSODIR-AEFFLSMTSA-N 1 2 356.382 2.612 20 5 FFBDLO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[NH+]1CCC(c2ccon2)CC1 ZINC000853589208 1006462436 /nfs/dbraw/zinc/46/24/36/1006462436.db2.gz JZXZUBHMEUNWBS-QGZVFWFLSA-N 1 2 370.409 2.736 20 5 FFBDLO CCC[C@H](C)NC(=O)[C@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000855086020 1007103981 /nfs/dbraw/zinc/10/39/81/1007103981.db2.gz NVXQOQBTNZDDTR-STQMWFEESA-N 1 2 374.397 2.631 20 5 FFBDLO 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ZINC000780764519 1028799332 /nfs/dbraw/zinc/79/93/32/1028799332.db2.gz MQLAMTSQIWJZRA-AEFFLSMTSA-N 1 2 372.450 2.977 20 5 FFBDLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNc3ccc([N+](=O)[O-])c(C)n3)C2)cc1 ZINC001163941909 1029123150 /nfs/dbraw/zinc/12/31/50/1029123150.db2.gz CYHWHKWHPXODQO-KRWDZBQOSA-N 1 2 356.426 2.920 20 5 FFBDLO Cc1ccc(C[N@H+]2CCO[C@@H](CNc3ccc([N+](=O)[O-])c(C)n3)C2)cc1 ZINC001163941909 1029123154 /nfs/dbraw/zinc/12/31/54/1029123154.db2.gz CYHWHKWHPXODQO-KRWDZBQOSA-N 1 2 356.426 2.920 20 5 FFBDLO O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000781965021 1029499007 /nfs/dbraw/zinc/49/90/07/1029499007.db2.gz FGSLCJXDRKTMCX-CYBMUJFWSA-N 1 2 373.369 2.565 20 5 FFBDLO Cc1cc(C)c(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c[nH+]1 ZINC001536110583 1069924588 /nfs/dbraw/zinc/92/45/88/1069924588.db2.gz ZJAWNIABYBNUSL-UHFFFAOYSA-N 1 2 351.366 2.722 20 5 FFBDLO Cc1ccc(N2CCC[C@@H](Oc3ncc([N+](=O)[O-])c4nc[nH]c43)C2)[nH+]c1 ZINC001227691123 1035675491 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357.362 2.536 20 5 FFBDLO CC[N@@H+]1CC[C@H](Oc2cc(O)cc3oc4c(O)ccc(O)c4c(=O)c23)C1 ZINC001234125465 1036927693 /nfs/dbraw/zinc/92/76/93/1036927693.db2.gz RSHSCZOBZKGSHZ-NSHDSACASA-N 1 2 357.362 2.536 20 5 FFBDLO CC[N@H+]1CC[C@H](Oc2cc(O)cc3oc4c(O)ccc(O)c4c(=O)c23)C1 ZINC001234125465 1036927711 /nfs/dbraw/zinc/92/77/11/1036927711.db2.gz RSHSCZOBZKGSHZ-NSHDSACASA-N 1 2 357.362 2.536 20 5 FFBDLO O=[N+]([O-])C[C@H](Oc1ccc(-n2cc[nH+]c2)cc1)c1ccc2c(c1)OCO2 ZINC001229954209 1036998226 /nfs/dbraw/zinc/99/82/26/1036998226.db2.gz LJXVQYHCYGTQNO-SFHVURJKSA-N 1 2 353.334 2.998 20 5 FFBDLO O=c1c2cccc(O)c2oc2cc(O)cc(O[C@H]3CCc4[nH+]ccn4C3)c12 ZINC001234743106 1037162562 /nfs/dbraw/zinc/16/25/62/1037162562.db2.gz YTCRAAXGNQOBHB-LBPRGKRZSA-N 1 2 364.357 2.948 20 5 FFBDLO C[C@@H](C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC001255840556 1038198496 /nfs/dbraw/zinc/19/84/96/1038198496.db2.gz VSPCLMGKSRMIQC-CABCVRRESA-N 1 2 356.426 2.913 20 5 FFBDLO C[NH+]1CCN(c2ccc3[nH]c(-c4cc(O)cc([N+](=O)[O-])c4)nc3c2)CC1 ZINC001251385725 1039105272 /nfs/dbraw/zinc/10/52/72/1039105272.db2.gz IHZSORFZFNODEK-UHFFFAOYSA-N 1 2 353.382 2.596 20 5 FFBDLO C[NH+]1CCN(c2ccc3nc(-c4cc(O)cc([N+](=O)[O-])c4)[nH]c3c2)CC1 ZINC001251385725 1039105285 /nfs/dbraw/zinc/10/52/85/1039105285.db2.gz IHZSORFZFNODEK-UHFFFAOYSA-N 1 2 353.382 2.596 20 5 FFBDLO CNc1c(C(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC001262638287 1041768073 /nfs/dbraw/zinc/76/80/73/1041768073.db2.gz SZKJKNIZQLUVAI-OAHLLOKOSA-N 1 2 358.373 2.562 20 5 FFBDLO O=C(N[C@@H]1CCOCC12CCCC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001262825888 1041879895 /nfs/dbraw/zinc/87/98/95/1041879895.db2.gz XHZRUXDRNBRIAA-QGZVFWFLSA-N 1 2 370.409 2.860 20 5 FFBDLO COc1cc(O)ccc1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001303623463 1051405534 /nfs/dbraw/zinc/40/55/34/1051405534.db2.gz SCYGIUXFEAVIAH-UHFFFAOYSA-N 1 2 354.322 2.747 20 5 FFBDLO Cc1ccc(NC(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)c(N)c1[N+](=O)[O-] ZINC001304500303 1051626159 /nfs/dbraw/zinc/62/61/59/1051626159.db2.gz JZHRMPGHXJGERT-IOASZLSFSA-N 1 2 364.446 2.558 20 5 FFBDLO Cc1cn(C(C)(C)C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)c[nH]2)c[nH+]1 ZINC001306866216 1052204838 /nfs/dbraw/zinc/20/48/38/1052204838.db2.gz WXXQAKBRGLIOID-UHFFFAOYSA-N 1 2 354.370 2.864 20 5 FFBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CN1C(=O)C[C@@H]1Cc1ccccc1 ZINC001345054711 1052226269 /nfs/dbraw/zinc/22/62/69/1052226269.db2.gz DAHGXIFNLRIVKH-SFHVURJKSA-N 1 2 353.422 2.870 20 5 FFBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CN1C(=O)C[C@@H]1Cc1ccccc1 ZINC001345054711 1052226281 /nfs/dbraw/zinc/22/62/81/1052226281.db2.gz DAHGXIFNLRIVKH-SFHVURJKSA-N 1 2 353.422 2.870 20 5 FFBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CCOC2CCCCC2)CC1 ZINC001307803766 1052352371 /nfs/dbraw/zinc/35/23/71/1052352371.db2.gz FWKLPBPSPAWNDM-UHFFFAOYSA-N 1 2 361.442 2.702 20 5 FFBDLO O=C(N[C@@H](C1CCC1)[C@@H]1CCCO1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001543304341 1071442298 /nfs/dbraw/zinc/44/22/98/1071442298.db2.gz RNGYEHVLCYAUEM-ROUUACIJSA-N 1 2 370.409 2.858 20 5 FFBDLO COc1cccc([C@@H]2CN(C(=O)c3c(C)cccc3[N+](=O)[O-])CC[NH2+]2)c1 ZINC001337374472 1054700895 /nfs/dbraw/zinc/70/08/95/1054700895.db2.gz ALKFLEWWKAVKCH-INIZCTEOSA-N 1 2 355.394 2.699 20 5 FFBDLO Cc1c[nH+]c2cc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)ccn12 ZINC000847286524 1055389836 /nfs/dbraw/zinc/38/98/36/1055389836.db2.gz SIHAIFCCPIMTRK-UHFFFAOYSA-N 1 2 365.393 2.513 20 5 FFBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001350815119 1055953353 /nfs/dbraw/zinc/95/33/53/1055953353.db2.gz PDLKKPQJKIUHGW-UHFFFAOYSA-N 1 2 360.439 2.891 20 5 FFBDLO CC(C)(C)n1nccc1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001358411335 1056299529 /nfs/dbraw/zinc/29/95/29/1056299529.db2.gz IGUSMOZCCSZBFZ-UHFFFAOYSA-N 1 2 354.370 2.984 20 5 FFBDLO CC(C)C[C@@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)n1cc[nH+]c1 ZINC001448547126 1058788131 /nfs/dbraw/zinc/78/81/31/1058788131.db2.gz DBEFQQCGCPEDPC-HNNXBMFYSA-N 1 2 356.386 2.571 20 5 FFBDLO CC(C)c1nn(C)cc1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001448653998 1058803983 /nfs/dbraw/zinc/80/39/83/1058803983.db2.gz UAZCVGHCSMXLGO-UHFFFAOYSA-N 1 2 354.370 2.890 20 5 FFBDLO CC1(C)COCC[N@@H+]1CCNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001458162738 1060529421 /nfs/dbraw/zinc/52/94/21/1060529421.db2.gz DYSJSBFWBFYQAJ-UHFFFAOYSA-N 1 2 364.833 2.741 20 5 FFBDLO CC1(C)COCC[N@H+]1CCNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001458162738 1060529446 /nfs/dbraw/zinc/52/94/46/1060529446.db2.gz DYSJSBFWBFYQAJ-UHFFFAOYSA-N 1 2 364.833 2.741 20 5 FFBDLO C[NH+](C)Cc1nc(CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)co1 ZINC001476584805 1061437187 /nfs/dbraw/zinc/43/71/87/1061437187.db2.gz DDULUXSWXIMAFA-UHFFFAOYSA-N 1 2 353.766 2.620 20 5 FFBDLO Cc1cccn2c(NC(=O)c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)cnc12 ZINC001532129419 1062982818 /nfs/dbraw/zinc/98/28/18/1062982818.db2.gz ZHHUGBFZWDOJET-UHFFFAOYSA-N 1 2 362.349 2.989 20 5 FFBDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC001471720298 1064770368 /nfs/dbraw/zinc/77/03/68/1064770368.db2.gz ALLNZBTYGWVJAX-OAHLLOKOSA-N 1 2 363.458 2.733 20 5 FFBDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC001471720298 1064770380 /nfs/dbraw/zinc/77/03/80/1064770380.db2.gz ALLNZBTYGWVJAX-OAHLLOKOSA-N 1 2 363.458 2.733 20 5 FFBDLO COC(=O)c1ccnc(NCc2cccc(Cn3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC001472656174 1065121730 /nfs/dbraw/zinc/12/17/30/1065121730.db2.gz ICYZMIQOHAIGAG-UHFFFAOYSA-N 1 2 367.365 2.633 20 5 FFBDLO O=C(N[C@H]1COCc2ccccc21)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001584184256 1079318488 /nfs/dbraw/zinc/31/84/88/1079318488.db2.gz PRQFYIGCRGQOIN-INIZCTEOSA-N 1 2 364.361 2.782 20 5 FFBDLO O=C(Nc1nc2c(o1)CCCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001558773044 1076073716 /nfs/dbraw/zinc/07/37/16/1076073716.db2.gz UWFQXVNYNLCEFO-UHFFFAOYSA-N 1 2 353.338 2.900 20 5 FFBDLO O=C(OCc1ccccc1)N1CC([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC001560881509 1076306035 /nfs/dbraw/zinc/30/60/35/1076306035.db2.gz MADGYLUNODPCLV-UHFFFAOYSA-N 1 2 359.357 2.845 20 5 FFBDLO Cc1cc(CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)cc(C)[nH+]1 ZINC001570451626 1077206590 /nfs/dbraw/zinc/20/65/90/1077206590.db2.gz ANAMSTXOTNCVER-UHFFFAOYSA-N 1 2 351.366 2.927 20 5 FFBDLO CC[C@H](C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[N@@H+]1CCO[C@H](CC)C1 ZINC001587037908 1079725082 /nfs/dbraw/zinc/72/50/82/1079725082.db2.gz USTHKUJVNCCSJA-DJIMGWMZSA-N 1 2 363.458 2.970 20 5 FFBDLO CC[C@H](C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[N@H+]1CCO[C@H](CC)C1 ZINC001587037908 1079725086 /nfs/dbraw/zinc/72/50/86/1079725086.db2.gz USTHKUJVNCCSJA-DJIMGWMZSA-N 1 2 363.458 2.970 20 5 FFBDLO Cc1sc(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)cc1[N+](=O)[O-] ZINC000057274034 205237589 /nfs/dbraw/zinc/23/75/89/205237589.db2.gz MWZLLFGSTBACEO-UHFFFAOYSA-N 1 2 374.466 2.964 20 5 FFBDLO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000103205379 250138460 /nfs/dbraw/zinc/13/84/60/250138460.db2.gz CZGZAVUYCPLYFG-MRXNPFEDSA-N 1 2 369.421 2.595 20 5 FFBDLO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000103205379 250138463 /nfs/dbraw/zinc/13/84/63/250138463.db2.gz CZGZAVUYCPLYFG-MRXNPFEDSA-N 1 2 369.421 2.595 20 5 FFBDLO C[C@H](C(=O)NC1CCCC1)N1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000103491959 250156725 /nfs/dbraw/zinc/15/67/25/250156725.db2.gz KJVKENMWWFTLJE-HZPDHXFCSA-N 1 2 374.485 2.721 20 5 FFBDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000103491959 250156728 /nfs/dbraw/zinc/15/67/28/250156728.db2.gz KJVKENMWWFTLJE-HZPDHXFCSA-N 1 2 374.485 2.721 20 5 FFBDLO Cc1[nH]nc(C(=O)Nc2c[nH+]c(N3CCCC[C@H]3C)c(C)c2)c1[N+](=O)[O-] ZINC000272496241 252052974 /nfs/dbraw/zinc/05/29/74/252052974.db2.gz GAJZYFHOQYUMEN-LLVKDONJSA-N 1 2 358.402 2.961 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000272518784 252058810 /nfs/dbraw/zinc/05/88/10/252058810.db2.gz KRUOWEIUQDLBJN-SGANQWHYSA-N 1 2 364.471 2.555 20 5 FFBDLO Cc1cc(C[C@H](C)[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000272586843 252073683 /nfs/dbraw/zinc/07/36/83/252073683.db2.gz ZHNFVBHJJFSIHO-SJCJKPOMSA-N 1 2 354.414 2.670 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)[nH]1 ZINC000272616256 252080634 /nfs/dbraw/zinc/08/06/34/252080634.db2.gz HZQHBHHOZOIZBN-AWEZNQCLSA-N 1 2 355.354 2.546 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)[nH]1 ZINC000272616256 252080639 /nfs/dbraw/zinc/08/06/39/252080639.db2.gz HZQHBHHOZOIZBN-AWEZNQCLSA-N 1 2 355.354 2.546 20 5 FFBDLO CNC(=O)c1ccc(N2CCC[C@H]2c2[nH]c3c([nH+]2)CCCC3)c([N+](=O)[O-])c1 ZINC000275498988 256016163 /nfs/dbraw/zinc/01/61/63/256016163.db2.gz CCDIHBNFEANFNW-INIZCTEOSA-N 1 2 369.425 2.898 20 5 FFBDLO Cc1cc(NC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)ccc1[N+](=O)[O-] ZINC000276091249 256071408 /nfs/dbraw/zinc/07/14/08/256071408.db2.gz VYPZHVDRAZCHSD-CJNGLKHVSA-N 1 2 359.386 2.679 20 5 FFBDLO Cc1cc(NC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)ccc1[N+](=O)[O-] ZINC000276091251 256071825 /nfs/dbraw/zinc/07/18/25/256071825.db2.gz VYPZHVDRAZCHSD-CZUORRHYSA-N 1 2 359.386 2.679 20 5 FFBDLO CCOc1cc(CN2CC[NH+](Cc3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000276902428 256141253 /nfs/dbraw/zinc/14/12/53/256141253.db2.gz LXMJJMKQKROVGK-UHFFFAOYSA-N 1 2 356.426 2.706 20 5 FFBDLO CCOc1cc(C[NH+]2CCN(Cc3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000276902428 256141255 /nfs/dbraw/zinc/14/12/55/256141255.db2.gz LXMJJMKQKROVGK-UHFFFAOYSA-N 1 2 356.426 2.706 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000277105290 256161818 /nfs/dbraw/zinc/16/18/18/256161818.db2.gz PSEZRXRUMQCPDS-UHFFFAOYSA-N 1 2 356.382 2.529 20 5 FFBDLO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000278158102 256282567 /nfs/dbraw/zinc/28/25/67/256282567.db2.gz BVEJWLXHDHTEOL-UHFFFAOYSA-N 1 2 367.331 2.726 20 5 FFBDLO COc1ccc(C[NH2+][C@@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)cc1[N+](=O)[O-] ZINC000278663682 256335693 /nfs/dbraw/zinc/33/56/93/256335693.db2.gz GRKHCXRACDBVJA-LBPRGKRZSA-N 1 2 368.397 2.943 20 5 FFBDLO Cc1c[nH+]ccc1OC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000278767379 256345685 /nfs/dbraw/zinc/34/56/85/256345685.db2.gz VSVDCSBATJODNY-UHFFFAOYSA-N 1 2 357.366 2.687 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289409104 257279411 /nfs/dbraw/zinc/27/94/11/257279411.db2.gz ADHXNQXVEYPMQC-DGCLKSJQSA-N 1 2 363.805 2.719 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289409104 257279412 /nfs/dbraw/zinc/27/94/12/257279412.db2.gz ADHXNQXVEYPMQC-DGCLKSJQSA-N 1 2 363.805 2.719 20 5 FFBDLO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1)C(F)(F)F ZINC000289481129 257283415 /nfs/dbraw/zinc/28/34/15/257283415.db2.gz OBVBZNJBQLAHKE-NSHDSACASA-N 1 2 363.311 2.624 20 5 FFBDLO O=C(NC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1)C(F)(F)F ZINC000289481129 257283416 /nfs/dbraw/zinc/28/34/16/257283416.db2.gz OBVBZNJBQLAHKE-NSHDSACASA-N 1 2 363.311 2.624 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000289943597 257307822 /nfs/dbraw/zinc/30/78/22/257307822.db2.gz PSNLKGRIIAETDU-NHYWBVRUSA-N 1 2 363.805 2.719 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000289943597 257307823 /nfs/dbraw/zinc/30/78/23/257307823.db2.gz PSNLKGRIIAETDU-NHYWBVRUSA-N 1 2 363.805 2.719 20 5 FFBDLO Cn1ccnc1[C@@H]1[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000295863001 257650012 /nfs/dbraw/zinc/65/00/12/257650012.db2.gz JIKZPNWHTKDUQX-INIZCTEOSA-N 1 2 357.414 2.740 20 5 FFBDLO Cn1ccnc1[C@@H]1[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000295863001 257650013 /nfs/dbraw/zinc/65/00/13/257650013.db2.gz JIKZPNWHTKDUQX-INIZCTEOSA-N 1 2 357.414 2.740 20 5 FFBDLO COc1ccc(C[NH+]2CCN(c3ncc([N+](=O)[O-])cc3C)CC2)cc1F ZINC000301206255 258033682 /nfs/dbraw/zinc/03/36/82/258033682.db2.gz SVKVZWPHUNTBKE-UHFFFAOYSA-N 1 2 360.389 2.768 20 5 FFBDLO O=C1[C@H]([NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCN1c1ccccc1 ZINC000301214204 258034547 /nfs/dbraw/zinc/03/45/47/258034547.db2.gz YEMLJHWULBZWMQ-LJQANCHMSA-N 1 2 366.421 2.522 20 5 FFBDLO O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000299555146 258005258 /nfs/dbraw/zinc/00/52/58/258005258.db2.gz LROPVQPJRGSGEO-UHFFFAOYSA-N 1 2 367.365 2.539 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000302096440 258087785 /nfs/dbraw/zinc/08/77/85/258087785.db2.gz OGVAQVMAAPYXKD-UHFFFAOYSA-N 1 2 356.382 2.989 20 5 FFBDLO Cc1cc(N2CCN(c3cc[nH+]c(C)n3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302174377 258093042 /nfs/dbraw/zinc/09/30/42/258093042.db2.gz WJYIXFVWLYXNJY-UHFFFAOYSA-N 1 2 364.409 2.876 20 5 FFBDLO C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 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COC(=O)c1cc(C(=O)Nc2ccc3[nH+]c(C)[nH]c3c2)cc([N+](=O)[O-])c1 ZINC000010896109 506756840 /nfs/dbraw/zinc/75/68/40/506756840.db2.gz FHTQMQUUKWJYNZ-UHFFFAOYSA-N 1 2 354.322 2.818 20 5 FFBDLO COC(=O)c1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000014467280 506992213 /nfs/dbraw/zinc/99/22/13/506992213.db2.gz HPBRBWFTCBYMCJ-UHFFFAOYSA-N 1 2 366.333 2.819 20 5 FFBDLO CC1CCN(c2ccc(C(=O)N(C)Cc3[nH+]ccn3C)cc2[N+](=O)[O-])CC1 ZINC000017369518 507124765 /nfs/dbraw/zinc/12/47/65/507124765.db2.gz JTMQSLRQXVWCBK-UHFFFAOYSA-N 1 2 371.441 2.837 20 5 FFBDLO Cc1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1[N+](=O)[O-] ZINC000018044955 507133303 /nfs/dbraw/zinc/13/33/03/507133303.db2.gz DUACOBHYIMAGRL-GOSISDBHSA-N 1 2 369.421 2.534 20 5 FFBDLO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1[N+](=O)[O-] ZINC000018044955 507133311 /nfs/dbraw/zinc/13/33/11/507133311.db2.gz DUACOBHYIMAGRL-GOSISDBHSA-N 1 2 369.421 2.534 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375433591 512325620 /nfs/dbraw/zinc/32/56/20/512325620.db2.gz AICQCLDYRJHURS-ZDUSSCGKSA-N 1 2 371.397 2.592 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375433591 512325622 /nfs/dbraw/zinc/32/56/22/512325622.db2.gz AICQCLDYRJHURS-ZDUSSCGKSA-N 1 2 371.397 2.592 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068523200 507255344 /nfs/dbraw/zinc/25/53/44/507255344.db2.gz JOAWZYXASPEUMK-UHFFFAOYSA-N 1 2 356.382 2.741 20 5 FFBDLO Cc1cccc2[nH+]c(CNC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)cn21 ZINC000068568825 507274391 /nfs/dbraw/zinc/27/43/91/507274391.db2.gz MYCCHCBXNADYJZ-UHFFFAOYSA-N 1 2 363.377 2.822 20 5 FFBDLO Cc1cc(N)nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[nH+]1 ZINC000022089341 507279502 /nfs/dbraw/zinc/27/95/02/507279502.db2.gz DMCZKEPAPZKHJA-UHFFFAOYSA-N 1 2 353.791 2.660 20 5 FFBDLO Cc1ccccc1N1CC[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000028972706 507753250 /nfs/dbraw/zinc/75/32/50/507753250.db2.gz IRVDAGQSRTYCCS-UHFFFAOYSA-N 1 2 368.437 2.688 20 5 FFBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000089303344 507827776 /nfs/dbraw/zinc/82/77/76/507827776.db2.gz FWQUQRVTIWEBAD-UHFFFAOYSA-N 1 2 350.378 2.812 20 5 FFBDLO Cc1cnc(NCc2cccc(OCC[NH+]3CCOCC3)c2)c([N+](=O)[O-])c1 ZINC000078654548 507894262 /nfs/dbraw/zinc/89/42/62/507894262.db2.gz ONASOJPJOVLNFX-UHFFFAOYSA-N 1 2 372.425 2.621 20 5 FFBDLO O=C(COc1ccccc1[N+](=O)[O-])NCc1ccccc1Cn1cc[nH+]c1 ZINC000073171585 507900474 /nfs/dbraw/zinc/90/04/74/507900474.db2.gz YQIFLVXXHGLWPA-UHFFFAOYSA-N 1 2 366.377 2.535 20 5 FFBDLO COCCCOCCN(C)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000091023881 507943425 /nfs/dbraw/zinc/94/34/25/507943425.db2.gz AYAZDRBXZACITH-UHFFFAOYSA-N 1 2 360.414 2.850 20 5 FFBDLO O=C(CNc1ccccc1[N+](=O)[O-])NCc1ccccc1-n1cc[nH+]c1 ZINC000091212397 507969103 /nfs/dbraw/zinc/96/91/03/507969103.db2.gz KTYBLWIJORXHPI-UHFFFAOYSA-N 1 2 351.366 2.509 20 5 FFBDLO CCCc1[nH]nc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c1[N+](=O)[O-] ZINC000109619839 507971629 /nfs/dbraw/zinc/97/16/29/507971629.db2.gz VGUZNBYBKXGCDG-UHFFFAOYSA-N 1 2 358.333 2.848 20 5 FFBDLO CN(C)c1[nH+]cccc1N(C)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000079722597 507995238 /nfs/dbraw/zinc/99/52/38/507995238.db2.gz DALZRJOLHOCARH-UHFFFAOYSA-N 1 2 353.382 2.674 20 5 FFBDLO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)n1 ZINC000091685264 508001698 /nfs/dbraw/zinc/00/16/98/508001698.db2.gz UFXRMNOCOSKBON-CQSZACIVSA-N 1 2 370.409 2.855 20 5 FFBDLO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)n1 ZINC000091685264 508001701 /nfs/dbraw/zinc/00/17/01/508001701.db2.gz UFXRMNOCOSKBON-CQSZACIVSA-N 1 2 370.409 2.855 20 5 FFBDLO Cc1cc(N2CCC(C3OCCO3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000110473869 508029339 /nfs/dbraw/zinc/02/93/39/508029339.db2.gz DUNFQOVWBSPEQR-UHFFFAOYSA-N 1 2 370.409 2.950 20 5 FFBDLO Cc1cc(N2CCN(c3cc(C)c([N+](=O)[O-])cn3)CC2)nc(C(C)C)[nH+]1 ZINC000074727428 508050147 /nfs/dbraw/zinc/05/01/47/508050147.db2.gz IFONCMWGCLTQBH-UHFFFAOYSA-N 1 2 356.430 2.847 20 5 FFBDLO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075551271 508115920 /nfs/dbraw/zinc/11/59/20/508115920.db2.gz VUIWBBJWGOMDEV-CYBMUJFWSA-N 1 2 366.381 2.523 20 5 FFBDLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1O ZINC000080962697 508118192 /nfs/dbraw/zinc/11/81/92/508118192.db2.gz XXNWDFKLZAIKOP-GFCCVEGCSA-N 1 2 359.382 2.768 20 5 FFBDLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1O ZINC000080962697 508118195 /nfs/dbraw/zinc/11/81/95/508118195.db2.gz XXNWDFKLZAIKOP-GFCCVEGCSA-N 1 2 359.382 2.768 20 5 FFBDLO C[C@H](CS(C)(=O)=O)[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093384613 508143787 /nfs/dbraw/zinc/14/37/87/508143787.db2.gz RNWVJTABUPLRML-GFCCVEGCSA-N 1 2 352.412 2.720 20 5 FFBDLO C[C@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093384613 508143789 /nfs/dbraw/zinc/14/37/89/508143789.db2.gz RNWVJTABUPLRML-GFCCVEGCSA-N 1 2 352.412 2.720 20 5 FFBDLO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000076001975 508151243 /nfs/dbraw/zinc/15/12/43/508151243.db2.gz LGXJOADSIXQNDR-LLVKDONJSA-N 1 2 359.342 2.554 20 5 FFBDLO CCc1nsc(N2CCC[N@H+](Cc3csc([N+](=O)[O-])c3)CC2)n1 ZINC000076185018 508167326 /nfs/dbraw/zinc/16/73/26/508167326.db2.gz DKMSIKWGGVZIPW-UHFFFAOYSA-N 1 2 353.473 2.783 20 5 FFBDLO CCc1nsc(N2CCC[N@@H+](Cc3csc([N+](=O)[O-])c3)CC2)n1 ZINC000076185018 508167328 /nfs/dbraw/zinc/16/73/28/508167328.db2.gz DKMSIKWGGVZIPW-UHFFFAOYSA-N 1 2 353.473 2.783 20 5 FFBDLO COc1ccccc1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000102760320 508284458 /nfs/dbraw/zinc/28/44/58/508284458.db2.gz ZBUMHMFSTWMVLM-UHFFFAOYSA-N 1 2 373.384 2.701 20 5 FFBDLO C[C@H](NC(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(F)cc1 ZINC000088607378 508379087 /nfs/dbraw/zinc/37/90/87/508379087.db2.gz BKSABCDUJBSVDY-ZDUSSCGKSA-N 1 2 357.385 2.969 20 5 FFBDLO C[C@H](NC(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(F)cc1 ZINC000088607378 508379088 /nfs/dbraw/zinc/37/90/88/508379088.db2.gz BKSABCDUJBSVDY-ZDUSSCGKSA-N 1 2 357.385 2.969 20 5 FFBDLO Cc1cc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc([N+](=O)[O-])c1 ZINC000121892296 508441987 /nfs/dbraw/zinc/44/19/87/508441987.db2.gz PVCGAEXDKOOZCR-UHFFFAOYSA-N 1 2 369.421 2.665 20 5 FFBDLO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000156675344 508461006 /nfs/dbraw/zinc/46/10/06/508461006.db2.gz UULJPSMVWTWOMK-BBRMVZONSA-N 1 2 355.394 2.551 20 5 FFBDLO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000156675344 508461009 /nfs/dbraw/zinc/46/10/09/508461009.db2.gz UULJPSMVWTWOMK-BBRMVZONSA-N 1 2 355.394 2.551 20 5 FFBDLO CN(CCCn1cc[nH+]c1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000122342722 508520445 /nfs/dbraw/zinc/52/04/45/508520445.db2.gz KGIFMWKNKVKELV-UHFFFAOYSA-N 1 2 369.328 2.947 20 5 FFBDLO C[C@H](NC(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccc(F)cc1 ZINC000153032984 508541539 /nfs/dbraw/zinc/54/15/39/508541539.db2.gz NVUSHIQYNJPVAE-ZDUSSCGKSA-N 1 2 357.385 2.969 20 5 FFBDLO C[C@H](NC(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccc(F)cc1 ZINC000153032984 508541542 /nfs/dbraw/zinc/54/15/42/508541542.db2.gz NVUSHIQYNJPVAE-ZDUSSCGKSA-N 1 2 357.385 2.969 20 5 FFBDLO C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153087069 508546770 /nfs/dbraw/zinc/54/67/70/508546770.db2.gz HRKKJXRVTUTWID-AWEZNQCLSA-N 1 2 371.412 2.839 20 5 FFBDLO C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153087069 508546772 /nfs/dbraw/zinc/54/67/72/508546772.db2.gz HRKKJXRVTUTWID-AWEZNQCLSA-N 1 2 371.412 2.839 20 5 FFBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)COc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000153302355 508569561 /nfs/dbraw/zinc/56/95/61/508569561.db2.gz ZHYWXCVRSNJKEV-INIZCTEOSA-N 1 2 355.350 2.599 20 5 FFBDLO O=[N+]([O-])c1ccccc1C[NH+]1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000128484195 508599625 /nfs/dbraw/zinc/59/96/25/508599625.db2.gz NQOOWHJVDSRLSD-UHFFFAOYSA-N 1 2 351.410 2.789 20 5 FFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1F)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000128592202 508615834 /nfs/dbraw/zinc/61/58/34/508615834.db2.gz UPDKVIOKVCHCEK-UHFFFAOYSA-N 1 2 358.373 2.588 20 5 FFBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)c1 ZINC000153934211 508680158 /nfs/dbraw/zinc/68/01/58/508680158.db2.gz YTBMZQFMISNCOJ-MSOLQXFVSA-N 1 2 364.348 2.980 20 5 FFBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)c1 ZINC000153934211 508680162 /nfs/dbraw/zinc/68/01/62/508680162.db2.gz YTBMZQFMISNCOJ-MSOLQXFVSA-N 1 2 364.348 2.980 20 5 FFBDLO Cc1cc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cc([N+](=O)[O-])c1 ZINC000123576055 508708603 /nfs/dbraw/zinc/70/86/03/508708603.db2.gz QPIPKCNOIBUGRV-UHFFFAOYSA-N 1 2 355.394 2.988 20 5 FFBDLO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000154259936 508747135 /nfs/dbraw/zinc/74/71/35/508747135.db2.gz IWKMKADOQZWYJG-QZTJIDSGSA-N 1 2 373.384 2.505 20 5 FFBDLO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000154259936 508747140 /nfs/dbraw/zinc/74/71/40/508747140.db2.gz IWKMKADOQZWYJG-QZTJIDSGSA-N 1 2 373.384 2.505 20 5 FFBDLO COc1cc(C[N@@H+]2CCOC3(CCC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000154308258 508757252 /nfs/dbraw/zinc/75/72/52/508757252.db2.gz WSCRFNSZGMZLGS-UHFFFAOYSA-N 1 2 358.341 2.960 20 5 FFBDLO COc1cc(C[N@H+]2CCOC3(CCC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000154308258 508757257 /nfs/dbraw/zinc/75/72/57/508757257.db2.gz WSCRFNSZGMZLGS-UHFFFAOYSA-N 1 2 358.341 2.960 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000369451556 512417015 /nfs/dbraw/zinc/41/70/15/512417015.db2.gz KGGHYNNPMOXHQF-JTQLQIEISA-N 1 2 366.324 2.559 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000124491875 508840691 /nfs/dbraw/zinc/84/06/91/508840691.db2.gz VTUQBCSRNTZVAY-UHFFFAOYSA-N 1 2 369.421 2.740 20 5 FFBDLO O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000119755764 508856545 /nfs/dbraw/zinc/85/65/45/508856545.db2.gz GPFUTDFEGMWZBE-UHFFFAOYSA-N 1 2 354.370 2.964 20 5 FFBDLO CC(C)Cn1cc[nH+]c1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000130983340 508873015 /nfs/dbraw/zinc/87/30/15/508873015.db2.gz QFEHSQPCSRLMGJ-UHFFFAOYSA-N 1 2 350.806 2.960 20 5 FFBDLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000154911007 508880901 /nfs/dbraw/zinc/88/09/01/508880901.db2.gz LIRHKWVMLAGBSB-UHFFFAOYSA-N 1 2 356.304 2.972 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](OCC(C)C)C1 ZINC000120093419 508927078 /nfs/dbraw/zinc/92/70/78/508927078.db2.gz NPWARSWWRSJKFZ-ZFWWWQNUSA-N 1 2 365.430 2.677 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](OCC(C)C)C1 ZINC000120093419 508927080 /nfs/dbraw/zinc/92/70/80/508927080.db2.gz NPWARSWWRSJKFZ-ZFWWWQNUSA-N 1 2 365.430 2.677 20 5 FFBDLO COCC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccc(C)o1 ZINC000125253417 508955434 /nfs/dbraw/zinc/95/54/34/508955434.db2.gz ADIQSVFZTXIHCQ-UHFFFAOYSA-N 1 2 373.409 2.534 20 5 FFBDLO COCC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccc(C)o1 ZINC000125253417 508955436 /nfs/dbraw/zinc/95/54/36/508955436.db2.gz ADIQSVFZTXIHCQ-UHFFFAOYSA-N 1 2 373.409 2.534 20 5 FFBDLO O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000160957796 509053108 /nfs/dbraw/zinc/05/31/08/509053108.db2.gz ZEVOPIRCVZILBC-GOSISDBHSA-N 1 2 373.384 2.537 20 5 FFBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)NCC(=O)c1ccccc1 ZINC000155693072 509053624 /nfs/dbraw/zinc/05/36/24/509053624.db2.gz MNQVBKDQOHVMDX-UHFFFAOYSA-N 1 2 367.405 2.558 20 5 FFBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)NCC(=O)c1ccccc1 ZINC000155693072 509053626 /nfs/dbraw/zinc/05/36/26/509053626.db2.gz MNQVBKDQOHVMDX-UHFFFAOYSA-N 1 2 367.405 2.558 20 5 FFBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000126089770 509062347 /nfs/dbraw/zinc/06/23/47/509062347.db2.gz NVMGMPFGXMJWFP-CYBMUJFWSA-N 1 2 350.400 2.542 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000126095680 509062983 /nfs/dbraw/zinc/06/29/83/509062983.db2.gz OLMCDCKUKXIJDK-ZDUSSCGKSA-N 1 2 350.400 2.542 20 5 FFBDLO CCOC(=O)c1ccnc(NCc2ccc(N3CCCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000133307341 509145220 /nfs/dbraw/zinc/14/52/20/509145220.db2.gz JFCMPMMBHAOMPP-UHFFFAOYSA-N 1 2 371.397 2.774 20 5 FFBDLO CCCN(CC(=O)N(C)C)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000126919788 509147495 /nfs/dbraw/zinc/14/74/95/509147495.db2.gz HMQJUPMPRRPVFH-UHFFFAOYSA-N 1 2 357.414 2.665 20 5 FFBDLO C[N@H+](CCN1C(=O)c2ccccc2C1=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182362647 509194630 /nfs/dbraw/zinc/19/46/30/509194630.db2.gz YPMMIEMWFDWBCT-UHFFFAOYSA-N 1 2 373.796 2.976 20 5 FFBDLO C[N@@H+](CCN1C(=O)c2ccccc2C1=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182362647 509194641 /nfs/dbraw/zinc/19/46/41/509194641.db2.gz YPMMIEMWFDWBCT-UHFFFAOYSA-N 1 2 373.796 2.976 20 5 FFBDLO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000164193595 509474805 /nfs/dbraw/zinc/47/48/05/509474805.db2.gz IMFOQSNROIQMNV-UHFFFAOYSA-N 1 2 367.365 2.539 20 5 FFBDLO O=[N+]([O-])c1ccn(CC[NH+]2CCN(c3c(Cl)cccc3Cl)CC2)n1 ZINC000186028208 509487844 /nfs/dbraw/zinc/48/78/44/509487844.db2.gz UUDAVTPSIUUUKT-UHFFFAOYSA-N 1 2 370.240 2.920 20 5 FFBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000179654974 509557583 /nfs/dbraw/zinc/55/75/83/509557583.db2.gz NXNJBJVJCVHLLU-UHFFFAOYSA-N 1 2 355.320 2.659 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000192653855 509584504 /nfs/dbraw/zinc/58/45/04/509584504.db2.gz JPPZCPDFSIKDHN-CZUORRHYSA-N 1 2 371.393 2.694 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000192653855 509584511 /nfs/dbraw/zinc/58/45/11/509584511.db2.gz JPPZCPDFSIKDHN-CZUORRHYSA-N 1 2 371.393 2.694 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cc(-c4ccco4)on3)C2)nc1 ZINC000173462531 509616087 /nfs/dbraw/zinc/61/60/87/509616087.db2.gz YTQRSLKXOGQPMP-LBPRGKRZSA-N 1 2 355.354 2.924 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cc(-c4ccco4)on3)C2)nc1 ZINC000173462531 509616096 /nfs/dbraw/zinc/61/60/96/509616096.db2.gz YTQRSLKXOGQPMP-LBPRGKRZSA-N 1 2 355.354 2.924 20 5 FFBDLO Nc1ccc([N+](=O)[O-])c(NC[C@@H](c2cccc(F)c2)[NH+]2CCOCC2)c1 ZINC000192785671 509643850 /nfs/dbraw/zinc/64/38/50/509643850.db2.gz IMYGOFXSDPFQOY-SFHVURJKSA-N 1 2 360.389 2.802 20 5 FFBDLO C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000170763284 509763997 /nfs/dbraw/zinc/76/39/97/509763997.db2.gz WHERKMPZQVFSTA-SCLBCKFNSA-N 1 2 355.394 2.656 20 5 FFBDLO C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000170763284 509764004 /nfs/dbraw/zinc/76/40/04/509764004.db2.gz WHERKMPZQVFSTA-SCLBCKFNSA-N 1 2 355.394 2.656 20 5 FFBDLO CC(C)c1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000189935801 509838585 /nfs/dbraw/zinc/83/85/85/509838585.db2.gz SUZOBROSCNXIQF-INIZCTEOSA-N 1 2 361.442 2.655 20 5 FFBDLO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000245448172 509942830 /nfs/dbraw/zinc/94/28/30/509942830.db2.gz MQUWIUAZTONKMY-LIRRHRJNSA-N 1 2 369.421 2.964 20 5 FFBDLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000245448172 509942834 /nfs/dbraw/zinc/94/28/34/509942834.db2.gz MQUWIUAZTONKMY-LIRRHRJNSA-N 1 2 369.421 2.964 20 5 FFBDLO Cc1nc(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000268465481 509948748 /nfs/dbraw/zinc/94/87/48/509948748.db2.gz IDQPAPVARYHQQG-UHFFFAOYSA-N 1 2 369.425 2.813 20 5 FFBDLO CCc1cc(N2CC[S@](=O)[C@H](C)[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000265571347 510121277 /nfs/dbraw/zinc/12/12/77/510121277.db2.gz DXOUHOHMVIYQKD-DDDOEAIBSA-N 1 2 374.466 2.960 20 5 FFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000246157189 510327754 /nfs/dbraw/zinc/32/77/54/510327754.db2.gz UDXHQIONWNNQLZ-GZMMTYOYSA-N 1 2 360.292 2.561 20 5 FFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000246157189 510327760 /nfs/dbraw/zinc/32/77/60/510327760.db2.gz UDXHQIONWNNQLZ-GZMMTYOYSA-N 1 2 360.292 2.561 20 5 FFBDLO COc1cc(C(=O)NCCCCNc2cccc[nH+]2)cc([N+](=O)[O-])c1OC ZINC000265972658 510333274 /nfs/dbraw/zinc/33/32/74/510333274.db2.gz WGTOVAXVCSEIGB-UHFFFAOYSA-N 1 2 374.397 2.629 20 5 FFBDLO CC(C)OC(=O)C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000184475678 510343832 /nfs/dbraw/zinc/34/38/32/510343832.db2.gz VPJTUWBYCOWCMB-CQSZACIVSA-N 1 2 363.414 2.587 20 5 FFBDLO CC(C)OC(=O)C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000184475678 510343837 /nfs/dbraw/zinc/34/38/37/510343837.db2.gz VPJTUWBYCOWCMB-CQSZACIVSA-N 1 2 363.414 2.587 20 5 FFBDLO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccn2cc[nH+]c2c1 ZINC000178071768 510415672 /nfs/dbraw/zinc/41/56/72/510415672.db2.gz YJYMKHPQTJIGBS-UHFFFAOYSA-N 1 2 374.784 2.981 20 5 FFBDLO C[C@@H]1C[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1c1ccccc1 ZINC000174984171 510419363 /nfs/dbraw/zinc/41/93/63/510419363.db2.gz HVGGYGGATQNMIJ-BLVKFPJESA-N 1 2 369.377 2.955 20 5 FFBDLO C[C@@H]1C[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1c1ccccc1 ZINC000174984171 510419370 /nfs/dbraw/zinc/41/93/70/510419370.db2.gz HVGGYGGATQNMIJ-BLVKFPJESA-N 1 2 369.377 2.955 20 5 FFBDLO CC1(C)C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC2(CCCC2)O1 ZINC000190956354 510432993 /nfs/dbraw/zinc/43/29/93/510432993.db2.gz SWCGCUFEEYDDLJ-UHFFFAOYSA-N 1 2 373.453 2.908 20 5 FFBDLO CC1(C)C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC2(CCCC2)O1 ZINC000190956354 510432998 /nfs/dbraw/zinc/43/29/98/510432998.db2.gz SWCGCUFEEYDDLJ-UHFFFAOYSA-N 1 2 373.453 2.908 20 5 FFBDLO COc1ccc(CN(C)C(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000172154418 510572553 /nfs/dbraw/zinc/57/25/53/510572553.db2.gz ATPHUYZMFNAGHY-UHFFFAOYSA-N 1 2 357.410 2.694 20 5 FFBDLO COc1ccc(CN(C)C(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000172154418 510572561 /nfs/dbraw/zinc/57/25/61/510572561.db2.gz ATPHUYZMFNAGHY-UHFFFAOYSA-N 1 2 357.410 2.694 20 5 FFBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000172199600 510596487 /nfs/dbraw/zinc/59/64/87/510596487.db2.gz INTNQNWPYSJCPN-OAHLLOKOSA-N 1 2 369.425 2.578 20 5 FFBDLO Cc1cc(C[NH+]2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)CC2)on1 ZINC000182000553 510701215 /nfs/dbraw/zinc/70/12/15/510701215.db2.gz HIOBWKRLPWPQBY-UHFFFAOYSA-N 1 2 350.806 2.862 20 5 FFBDLO C[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1nc(C(C)(C)C)no1 ZINC000185195376 510741791 /nfs/dbraw/zinc/74/17/91/510741791.db2.gz VLQWHKGBDZNNCM-RISCZKNCSA-N 1 2 373.413 2.731 20 5 FFBDLO O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285361379 510875835 /nfs/dbraw/zinc/87/58/35/510875835.db2.gz AIIGKNXHSJXUOQ-LBPRGKRZSA-N 1 2 353.369 2.611 20 5 FFBDLO O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285361379 510875839 /nfs/dbraw/zinc/87/58/39/510875839.db2.gz AIIGKNXHSJXUOQ-LBPRGKRZSA-N 1 2 353.369 2.611 20 5 FFBDLO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCCCNc1cccc[nH+]1 ZINC000279404636 511072146 /nfs/dbraw/zinc/07/21/46/511072146.db2.gz WSETUNOZWMMNKL-UHFFFAOYSA-N 1 2 366.780 2.943 20 5 FFBDLO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000294685241 511142645 /nfs/dbraw/zinc/14/26/45/511142645.db2.gz SVMHWMLVPPACAH-GFCCVEGCSA-N 1 2 372.347 2.650 20 5 FFBDLO O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000294685241 511142650 /nfs/dbraw/zinc/14/26/50/511142650.db2.gz SVMHWMLVPPACAH-GFCCVEGCSA-N 1 2 372.347 2.650 20 5 FFBDLO C[C@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1[N+](=O)[O-] ZINC000271667965 511281778 /nfs/dbraw/zinc/28/17/78/511281778.db2.gz HLBSPCAPWSOZHR-UONOGXRCSA-N 1 2 355.398 2.629 20 5 FFBDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccncc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000271711251 511297445 /nfs/dbraw/zinc/29/74/45/511297445.db2.gz VEMWNBJMLTZUCT-HNNXBMFYSA-N 1 2 369.425 2.578 20 5 FFBDLO NC(=O)c1ccc(NCc2ccc(N3CCCCC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000298688663 511376062 /nfs/dbraw/zinc/37/60/62/511376062.db2.gz CHAMLOKDUBTONV-UHFFFAOYSA-N 1 2 355.398 2.691 20 5 FFBDLO CC(=O)c1cc(NCc2cc[nH+]c(N3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC000283481958 511384354 /nfs/dbraw/zinc/38/43/54/511384354.db2.gz HCKVDGKXVTZZJG-UHFFFAOYSA-N 1 2 356.382 2.641 20 5 FFBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000365477977 511473726 /nfs/dbraw/zinc/47/37/26/511473726.db2.gz PJXZZSNXPFSFES-UHFFFAOYSA-N 1 2 357.414 2.512 20 5 FFBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)n1 ZINC000272243971 511477624 /nfs/dbraw/zinc/47/76/24/511477624.db2.gz NZEIRLMSQXOOJH-HNNXBMFYSA-N 1 2 373.461 2.837 20 5 FFBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)n1 ZINC000272243971 511477626 /nfs/dbraw/zinc/47/76/26/511477626.db2.gz NZEIRLMSQXOOJH-HNNXBMFYSA-N 1 2 373.461 2.837 20 5 FFBDLO Nc1ccc(NCc2cccc(OCC[NH+]3CCOCC3)c2)c([N+](=O)[O-])c1 ZINC000283744318 511483931 /nfs/dbraw/zinc/48/39/31/511483931.db2.gz JQQGGJFETNSFRD-UHFFFAOYSA-N 1 2 372.425 2.500 20 5 FFBDLO CC(C)([NH2+]Cc1csc(CS(C)(=O)=O)n1)c1ccccc1[N+](=O)[O-] ZINC000292223302 511512074 /nfs/dbraw/zinc/51/20/74/511512074.db2.gz VCCNGJVODALKTC-UHFFFAOYSA-N 1 2 369.468 2.621 20 5 FFBDLO O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CC[NH+](C2CC2)CC1 ZINC000280751932 511588317 /nfs/dbraw/zinc/58/83/17/511588317.db2.gz ADIPZNORMFMVPO-UHFFFAOYSA-N 1 2 352.394 2.577 20 5 FFBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])CCC2 ZINC000363507694 511595954 /nfs/dbraw/zinc/59/59/54/511595954.db2.gz ZYKKZLYSZYATEN-CQSZACIVSA-N 1 2 358.398 2.562 20 5 FFBDLO Cn1cc([N+](=O)[O-])cc1-c1nc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000349836520 511672286 /nfs/dbraw/zinc/67/22/86/511672286.db2.gz FJIIBFXGMYAGIH-INIZCTEOSA-N 1 2 369.381 2.557 20 5 FFBDLO Cn1cc([N+](=O)[O-])cc1-c1nc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000349836520 511672294 /nfs/dbraw/zinc/67/22/94/511672294.db2.gz FJIIBFXGMYAGIH-INIZCTEOSA-N 1 2 369.381 2.557 20 5 FFBDLO Cc1nc([N+](=O)[O-])c(-c2noc(CCn3c(C)[nH+]c4ccccc43)n2)n1C ZINC000350270516 511762185 /nfs/dbraw/zinc/76/21/85/511762185.db2.gz SLVFEMXJNUOBHI-UHFFFAOYSA-N 1 2 367.369 2.588 20 5 FFBDLO C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000311878575 511780112 /nfs/dbraw/zinc/78/01/12/511780112.db2.gz VJBXAWBVVVONQR-BBRMVZONSA-N 1 2 355.394 2.693 20 5 FFBDLO C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[N@H+]1Cc1ccccc1 ZINC000311878575 511780118 /nfs/dbraw/zinc/78/01/18/511780118.db2.gz VJBXAWBVVVONQR-BBRMVZONSA-N 1 2 355.394 2.693 20 5 FFBDLO COC(=O)Cc1ccc(NCc2cc[nH+]c(N3CCCC3)c2)c([N+](=O)[O-])c1 ZINC000296578986 511804915 /nfs/dbraw/zinc/80/49/15/511804915.db2.gz QZSQIRSAJJSYHG-UHFFFAOYSA-N 1 2 370.409 2.918 20 5 FFBDLO CC(C)[C@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000293040476 511817915 /nfs/dbraw/zinc/81/79/15/511817915.db2.gz GXCZUPVTWSWEMU-OAHLLOKOSA-N 1 2 355.822 2.934 20 5 FFBDLO CC(C)[C@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000293040476 511817921 /nfs/dbraw/zinc/81/79/21/511817921.db2.gz GXCZUPVTWSWEMU-OAHLLOKOSA-N 1 2 355.822 2.934 20 5 FFBDLO Cc1cc(C[NH+]2CCN(c3nccc4cc([N+](=O)[O-])ccc43)CC2)no1 ZINC000296662626 511842260 /nfs/dbraw/zinc/84/22/60/511842260.db2.gz YPLPPJKZGAZITD-UHFFFAOYSA-N 1 2 353.382 2.762 20 5 FFBDLO C[NH+](C)CCOc1cccc(-c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)c1 ZINC000350646792 511857243 /nfs/dbraw/zinc/85/72/43/511857243.db2.gz WKUFLACXUYXNPF-UHFFFAOYSA-N 1 2 370.365 2.958 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000281630395 511914306 /nfs/dbraw/zinc/91/43/06/511914306.db2.gz QLCRLGUJTTUZNP-RDJZCZTQSA-N 1 2 372.425 2.978 20 5 FFBDLO CON1CCC(c2noc(-c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)n2)CC1 ZINC000351378652 512033999 /nfs/dbraw/zinc/03/39/99/512033999.db2.gz WTXIPHSXCBSMSQ-UHFFFAOYSA-N 1 2 370.369 2.571 20 5 FFBDLO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)cc1Cl ZINC000377833979 512474615 /nfs/dbraw/zinc/47/46/15/512474615.db2.gz IDIHBNLHSGSBQE-JTQLQIEISA-N 1 2 374.781 2.636 20 5 FFBDLO Cc1cn2c([nH+]1)CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)CC2 ZINC000371729074 512546741 /nfs/dbraw/zinc/54/67/41/512546741.db2.gz XTABZDGGTPBWNZ-UHFFFAOYSA-N 1 2 369.425 2.746 20 5 FFBDLO COc1cc(CN(C)Cc2cn3c([nH+]2)CCCC3)c([N+](=O)[O-])cc1OC ZINC000373884633 512554196 /nfs/dbraw/zinc/55/41/96/512554196.db2.gz ZADHCZLZPRRLQW-UHFFFAOYSA-N 1 2 360.414 2.777 20 5 FFBDLO Cn1cc([C@@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])c2ccccc2)cn1 ZINC000371754276 512556512 /nfs/dbraw/zinc/55/65/12/512556512.db2.gz SLBXIERHSDCXPD-IBGZPJMESA-N 1 2 365.393 2.646 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H](C2CCOCC2)C1 ZINC000372198479 512757979 /nfs/dbraw/zinc/75/79/79/512757979.db2.gz BAPQONMHLOTJBL-MRXNPFEDSA-N 1 2 370.409 2.669 20 5 FFBDLO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368090630 512797650 /nfs/dbraw/zinc/79/76/50/512797650.db2.gz BNEQEUGUOBPZEX-QMMMGPOBSA-N 1 2 367.312 2.598 20 5 FFBDLO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368090630 512797657 /nfs/dbraw/zinc/79/76/57/512797657.db2.gz BNEQEUGUOBPZEX-QMMMGPOBSA-N 1 2 367.312 2.598 20 5 FFBDLO CS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000411789347 512812406 /nfs/dbraw/zinc/81/24/06/512812406.db2.gz NGDVPZRAXGQJFP-CQSZACIVSA-N 1 2 364.423 2.971 20 5 FFBDLO CS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000411789347 512812411 /nfs/dbraw/zinc/81/24/11/512812411.db2.gz NGDVPZRAXGQJFP-CQSZACIVSA-N 1 2 364.423 2.971 20 5 FFBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@@H]2c2nnc(CC(F)(F)F)o2)c1 ZINC000376506163 512847438 /nfs/dbraw/zinc/84/74/38/512847438.db2.gz JWASJZINCUEYQP-LLVKDONJSA-N 1 2 374.323 2.506 20 5 FFBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@@H]2c2nnc(CC(F)(F)F)o2)c1 ZINC000376506163 512847441 /nfs/dbraw/zinc/84/74/41/512847441.db2.gz JWASJZINCUEYQP-LLVKDONJSA-N 1 2 374.323 2.506 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411958979 512890542 /nfs/dbraw/zinc/89/05/42/512890542.db2.gz XWFLUKIOMIXELO-WBVHZDCISA-N 1 2 355.394 2.650 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411958979 512890545 /nfs/dbraw/zinc/89/05/45/512890545.db2.gz XWFLUKIOMIXELO-WBVHZDCISA-N 1 2 355.394 2.650 20 5 FFBDLO CC[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1occc1C ZINC000412047849 512930193 /nfs/dbraw/zinc/93/01/93/512930193.db2.gz VLJOCNRIMQQYNC-UHFFFAOYSA-N 1 2 361.354 2.686 20 5 FFBDLO CC[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1occc1C ZINC000412047849 512930195 /nfs/dbraw/zinc/93/01/95/512930195.db2.gz VLJOCNRIMQQYNC-UHFFFAOYSA-N 1 2 361.354 2.686 20 5 FFBDLO C[C@H](O)c1cn(C2C[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2)nn1 ZINC000374821734 513021507 /nfs/dbraw/zinc/02/15/07/513021507.db2.gz SFDURUPCJXVJIT-LBPRGKRZSA-N 1 2 369.381 2.557 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)ccc1CCNc1cc(N2CCOCC2)nc[nH+]1 ZINC000433756898 513143922 /nfs/dbraw/zinc/14/39/22/513143922.db2.gz HMSOPTPGAPNNEZ-UHFFFAOYSA-N 1 2 363.805 2.529 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)ccc1CCNc1cc(N2CCOCC2)[nH+]cn1 ZINC000433756898 513143931 /nfs/dbraw/zinc/14/39/31/513143931.db2.gz HMSOPTPGAPNNEZ-UHFFFAOYSA-N 1 2 363.805 2.529 20 5 FFBDLO COc1cc(CCNc2[nH+]c(C)nc3[nH]ccc32)c([N+](=O)[O-])cc1OC ZINC000433768503 513145945 /nfs/dbraw/zinc/14/59/45/513145945.db2.gz JZBUYUCKKKFJNL-UHFFFAOYSA-N 1 2 357.370 2.798 20 5 FFBDLO C[C@H](CCO)C1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCC1 ZINC000450415414 513183966 /nfs/dbraw/zinc/18/39/66/513183966.db2.gz AZWXFFMXZSHTRY-CQSZACIVSA-N 1 2 372.425 2.699 20 5 FFBDLO COC[C@H]1CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000450951638 513422706 /nfs/dbraw/zinc/42/27/06/513422706.db2.gz XXTZZHCWOYNOHV-INIZCTEOSA-N 1 2 363.458 2.680 20 5 FFBDLO Cc1ccc(Cl)c(N(Cc2[nH]cc[nH+]2)C(=O)Cn2ccc([N+](=O)[O-])n2)c1 ZINC000440899385 513432276 /nfs/dbraw/zinc/43/22/76/513432276.db2.gz ATLCWNQHMSJLSX-UHFFFAOYSA-N 1 2 374.788 2.710 20 5 FFBDLO CC[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H](CC)O1 ZINC000421954792 513492003 /nfs/dbraw/zinc/49/20/03/513492003.db2.gz ORDLULWRXMAXMC-GJZGRUSLSA-N 1 2 358.398 2.810 20 5 FFBDLO CCC(O)(CC)CCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447800614 513573500 /nfs/dbraw/zinc/57/35/00/513573500.db2.gz VEZPFVOMFBMWIB-UHFFFAOYSA-N 1 2 351.447 2.780 20 5 FFBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2ccc([N+](=O)[O-])n2C)c(C)c1 ZINC000441484439 513577694 /nfs/dbraw/zinc/57/76/94/513577694.db2.gz FXIFUAMPMWRZNI-INIZCTEOSA-N 1 2 367.409 2.918 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC(OC2CCC2)CC1 ZINC000416266653 513683261 /nfs/dbraw/zinc/68/32/61/513683261.db2.gz NPBDKYIUZQLNNP-UHFFFAOYSA-N 1 2 370.409 2.954 20 5 FFBDLO Cc1cc(OCC(=O)NCc2cccc(-n3cc[nH+]c3)c2)ccc1[N+](=O)[O-] ZINC000430702468 513728333 /nfs/dbraw/zinc/72/83/33/513728333.db2.gz HUDQFKNJHKFBBE-UHFFFAOYSA-N 1 2 366.377 2.784 20 5 FFBDLO Cc1cccc2c1C[N@@H+]([C@@H]1CC(=O)N(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000430894980 513774527 /nfs/dbraw/zinc/77/45/27/513774527.db2.gz RBSXROANJFQEPC-GOSISDBHSA-N 1 2 365.389 2.593 20 5 FFBDLO Cc1cccc2c1C[N@H+]([C@@H]1CC(=O)N(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000430894980 513774534 /nfs/dbraw/zinc/77/45/34/513774534.db2.gz RBSXROANJFQEPC-GOSISDBHSA-N 1 2 365.389 2.593 20 5 FFBDLO O=C1[C@H]([N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCN1CC(F)(F)F ZINC000451545952 513824349 /nfs/dbraw/zinc/82/43/49/513824349.db2.gz IDIMQXBCDIAGHE-UKRRQHHQSA-N 1 2 371.359 2.937 20 5 FFBDLO O=C1[C@H]([N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCN1CC(F)(F)F ZINC000451545952 513824359 /nfs/dbraw/zinc/82/43/59/513824359.db2.gz IDIMQXBCDIAGHE-UKRRQHHQSA-N 1 2 371.359 2.937 20 5 FFBDLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)s1 ZINC000414076535 513966391 /nfs/dbraw/zinc/96/63/91/513966391.db2.gz OXMNUVWTOKBQBC-VIFPVBQESA-N 1 2 351.384 2.697 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451880377 514041183 /nfs/dbraw/zinc/04/11/83/514041183.db2.gz WALHFNLNRZKHNW-GFCCVEGCSA-N 1 2 361.364 2.919 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451880377 514041187 /nfs/dbraw/zinc/04/11/87/514041187.db2.gz WALHFNLNRZKHNW-GFCCVEGCSA-N 1 2 361.364 2.919 20 5 FFBDLO C[C@]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)(C(N)=O)c1cccc(Cl)c1 ZINC000426831599 514053536 /nfs/dbraw/zinc/05/35/36/514053536.db2.gz FNHFTDGQOOCOKT-MRXNPFEDSA-N 1 2 351.765 2.878 20 5 FFBDLO CCOC1(C)CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000451925803 514074187 /nfs/dbraw/zinc/07/41/87/514074187.db2.gz GRNCAPFIKKTSOB-UHFFFAOYSA-N 1 2 358.398 2.812 20 5 FFBDLO CCn1cc([N+](=O)[O-])c(C(=O)N(Cc2[nH]cc[nH+]2)c2cccc(F)c2)n1 ZINC000427371889 514196890 /nfs/dbraw/zinc/19/68/90/514196890.db2.gz GNVBEPFUTZJEQI-UHFFFAOYSA-N 1 2 358.333 2.520 20 5 FFBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000449554738 514252610 /nfs/dbraw/zinc/25/26/10/514252610.db2.gz PQSIKKDHVFACKC-ZNNBYXKUSA-N 1 2 350.440 2.509 20 5 FFBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000449554738 514252616 /nfs/dbraw/zinc/25/26/16/514252616.db2.gz PQSIKKDHVFACKC-ZNNBYXKUSA-N 1 2 350.440 2.509 20 5 FFBDLO CC[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](CC)CN1C(C)=O ZINC000444653297 514284589 /nfs/dbraw/zinc/28/45/89/514284589.db2.gz VNLKULVGHCEHQZ-ZIAGYGMSSA-N 1 2 359.430 2.692 20 5 FFBDLO CC[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](CC)CN1C(C)=O ZINC000444653297 514284597 /nfs/dbraw/zinc/28/45/97/514284597.db2.gz VNLKULVGHCEHQZ-ZIAGYGMSSA-N 1 2 359.430 2.692 20 5 FFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000449674414 514296993 /nfs/dbraw/zinc/29/69/93/514296993.db2.gz UQCRVJBVUOWAJF-PRHODGIISA-N 1 2 370.274 2.941 20 5 FFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000449674414 514297001 /nfs/dbraw/zinc/29/70/01/514297001.db2.gz UQCRVJBVUOWAJF-PRHODGIISA-N 1 2 370.274 2.941 20 5 FFBDLO COC(=O)[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000449756248 514338451 /nfs/dbraw/zinc/33/84/51/514338451.db2.gz PFAPLIYTRKFGNX-IRXDYDNUSA-N 1 2 356.378 2.689 20 5 FFBDLO COC(=O)[C@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000449756248 514338459 /nfs/dbraw/zinc/33/84/59/514338459.db2.gz PFAPLIYTRKFGNX-IRXDYDNUSA-N 1 2 356.378 2.689 20 5 FFBDLO Cc1cn2cc(NC(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)ccc2[nH+]1 ZINC000444899584 514363275 /nfs/dbraw/zinc/36/32/75/514363275.db2.gz IQTIUZHFMXYDFF-UHFFFAOYSA-N 1 2 365.353 2.749 20 5 FFBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000427990332 514368337 /nfs/dbraw/zinc/36/83/37/514368337.db2.gz IGFIRYGEHNJOPZ-NSHDSACASA-N 1 2 354.288 2.555 20 5 FFBDLO CCn1cc[nH+]c1CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000452577919 514409901 /nfs/dbraw/zinc/40/99/01/514409901.db2.gz YSNLMKKAKBMTGW-UHFFFAOYSA-N 1 2 372.303 2.682 20 5 FFBDLO O=C(C[N@H+]1CC[C@@H](O)CC12CCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420995015 514428899 /nfs/dbraw/zinc/42/88/99/514428899.db2.gz ODHPJGKWZLXMOU-GFCCVEGCSA-N 1 2 353.806 2.566 20 5 FFBDLO O=C(C[N@@H+]1CC[C@@H](O)CC12CCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420995015 514428902 /nfs/dbraw/zinc/42/89/02/514428902.db2.gz ODHPJGKWZLXMOU-GFCCVEGCSA-N 1 2 353.806 2.566 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCCC[C@@H]1c1ncon1 ZINC000449952644 514438348 /nfs/dbraw/zinc/43/83/48/514438348.db2.gz VZUFCNUUAMKZDC-CQSZACIVSA-N 1 2 368.353 2.531 20 5 FFBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000428351930 514454290 /nfs/dbraw/zinc/45/42/90/514454290.db2.gz PMJFDEFHCIVFEI-JTQLQIEISA-N 1 2 354.288 2.555 20 5 FFBDLO O=C(NC[C@@H]1CCOC2(CCC2)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452725221 514475746 /nfs/dbraw/zinc/47/57/46/514475746.db2.gz RRDAFJNLSOGYSR-CQSZACIVSA-N 1 2 370.409 2.860 20 5 FFBDLO CC(C)c1ccc(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000439147928 514501037 /nfs/dbraw/zinc/50/10/37/514501037.db2.gz VIGMLIJMRBNSPR-SFHVURJKSA-N 1 2 363.458 2.805 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC(C(F)F)CC1 ZINC000450149243 514511140 /nfs/dbraw/zinc/51/11/40/514511140.db2.gz BCAXQIARAVOFND-UHFFFAOYSA-N 1 2 350.325 2.898 20 5 FFBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1ccn(-c3ccccc3F)n1)CC2 ZINC000445814773 514526696 /nfs/dbraw/zinc/52/66/96/514526696.db2.gz CFOYZIGMOIXDNE-UHFFFAOYSA-N 1 2 353.357 2.873 20 5 FFBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1ccn(-c3ccccc3F)n1)CC2 ZINC000445814773 514526699 /nfs/dbraw/zinc/52/66/99/514526699.db2.gz CFOYZIGMOIXDNE-UHFFFAOYSA-N 1 2 353.357 2.873 20 5 FFBDLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452871116 514527390 /nfs/dbraw/zinc/52/73/90/514527390.db2.gz ZZTMGTOPEWCNHB-HOTGVXAUSA-N 1 2 354.410 2.760 20 5 FFBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000450199321 514536357 /nfs/dbraw/zinc/53/63/57/514536357.db2.gz KVRKRDDKNQPMRR-HNNXBMFYSA-N 1 2 370.409 2.756 20 5 FFBDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000470960004 514693054 /nfs/dbraw/zinc/69/30/54/514693054.db2.gz NXQRJBPUKFQCCU-MFKMUULPSA-N 1 2 357.332 2.757 20 5 FFBDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000470960004 514693065 /nfs/dbraw/zinc/69/30/65/514693065.db2.gz NXQRJBPUKFQCCU-MFKMUULPSA-N 1 2 357.332 2.757 20 5 FFBDLO CCOc1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1F ZINC000453576281 514694926 /nfs/dbraw/zinc/69/49/26/514694926.db2.gz MDIDQUDCPAOMSS-UHFFFAOYSA-N 1 2 360.389 2.850 20 5 FFBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC000453578088 514698311 /nfs/dbraw/zinc/69/83/11/514698311.db2.gz PWLKVKLHBTXWRV-UHFFFAOYSA-N 1 2 370.438 2.764 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000475534931 514705877 /nfs/dbraw/zinc/70/58/77/514705877.db2.gz ZAIHDKJJSQSLNK-UHFFFAOYSA-N 1 2 352.341 2.650 20 5 FFBDLO C[C@H]1C[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](C)S1=O ZINC000484710778 514758496 /nfs/dbraw/zinc/75/84/96/514758496.db2.gz GWGFGMSGKHOAJN-STQMWFEESA-N 1 2 363.439 2.634 20 5 FFBDLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498152069 514781601 /nfs/dbraw/zinc/78/16/01/514781601.db2.gz GPRZJQDGBQTVPJ-GUYCJALGSA-N 1 2 358.423 2.628 20 5 FFBDLO C[C@@]1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO[C@@H]1C1CC1 ZINC000466842285 514796908 /nfs/dbraw/zinc/79/69/08/514796908.db2.gz BHCZRFFKTAUFDD-MJGOQNOKSA-N 1 2 370.409 2.716 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCc1ccc2c(c1)OCO2 ZINC000471824391 515022549 /nfs/dbraw/zinc/02/25/49/515022549.db2.gz SLAIHFIAQKIKQN-UHFFFAOYSA-N 1 2 371.393 2.768 20 5 FFBDLO CCc1cnc(N2CC[NH+](Cc3ccc([N+](=O)[O-])c(OC)c3)CC2)s1 ZINC000490097670 515103709 /nfs/dbraw/zinc/10/37/09/515103709.db2.gz AKWDVSYCCKUMSB-UHFFFAOYSA-N 1 2 362.455 2.945 20 5 FFBDLO CNc1c(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cccc1[N+](=O)[O-] ZINC000462904392 515292616 /nfs/dbraw/zinc/29/26/16/515292616.db2.gz UJCYZTPNDIHQRW-UHFFFAOYSA-N 1 2 365.393 2.811 20 5 FFBDLO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2Nc2ccc(N3CCOCC3)c[nH+]2)n1 ZINC000472626212 515342902 /nfs/dbraw/zinc/34/29/02/515342902.db2.gz BZGQHBOWHSSXHL-JKSUJKDBSA-N 1 2 372.429 2.619 20 5 FFBDLO Cc1[nH+]c2cc(NC(=O)c3cc([N+](=O)[O-])cnc3C)ccc2n1[C@@H](C)CO ZINC000456720290 515381688 /nfs/dbraw/zinc/38/16/88/515381688.db2.gz QNXAJNZERRIBGM-JTQLQIEISA-N 1 2 369.381 2.762 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccc(F)cc1 ZINC000468731785 515491478 /nfs/dbraw/zinc/49/14/78/515491478.db2.gz CMTDWQYHYSFDQY-INIZCTEOSA-N 1 2 369.356 2.569 20 5 FFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000493207111 515609371 /nfs/dbraw/zinc/60/93/71/515609371.db2.gz RZUQSIGSHPFFMR-INIZCTEOSA-N 1 2 351.366 2.883 20 5 FFBDLO Cc1[nH+]c2cc(CNC(=O)c3cc([N+](=O)[O-])c[nH]c3=O)ccc2n1C1CC1 ZINC000510776642 515665722 /nfs/dbraw/zinc/66/57/22/515665722.db2.gz HYGCJOMPKMCNMD-UHFFFAOYSA-N 1 2 367.365 2.618 20 5 FFBDLO C[C@]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)(C(N)=O)c1cccc(Cl)c1 ZINC000482681605 515767066 /nfs/dbraw/zinc/76/70/66/515767066.db2.gz HUHOGIGWROTTRS-QGZVFWFLSA-N 1 2 373.800 2.615 20 5 FFBDLO COc1ccc([C@H](CO)[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000482712115 515779780 /nfs/dbraw/zinc/77/97/80/515779780.db2.gz VBBHQZIUJQTRKF-KRWDZBQOSA-N 1 2 356.382 2.645 20 5 FFBDLO COc1ccc([C@H](CO)[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000482712115 515779789 /nfs/dbraw/zinc/77/97/89/515779789.db2.gz VBBHQZIUJQTRKF-KRWDZBQOSA-N 1 2 356.382 2.645 20 5 FFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ncccc1S(C)(=O)=O ZINC000487177299 515788443 /nfs/dbraw/zinc/78/84/43/515788443.db2.gz CZODTTSKYWUDGP-LCYFTJDESA-N 1 2 361.423 2.586 20 5 FFBDLO O=C(C[N@@H+]1CCC=C(c2ccco2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000511138239 515800109 /nfs/dbraw/zinc/80/01/09/515800109.db2.gz NMEPPRTXWCUSFR-UHFFFAOYSA-N 1 2 353.378 2.866 20 5 FFBDLO O=C(C[N@H+]1CCC=C(c2ccco2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000511138239 515800118 /nfs/dbraw/zinc/80/01/18/515800118.db2.gz NMEPPRTXWCUSFR-UHFFFAOYSA-N 1 2 353.378 2.866 20 5 FFBDLO Cc1cc[nH+]cc1N1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000500691644 515818800 /nfs/dbraw/zinc/81/88/00/515818800.db2.gz ZYKSFPBJKIDLLE-UHFFFAOYSA-N 1 2 368.437 2.925 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2cnccc2C)c([N+](=O)[O-])c1 ZINC000483026245 515888066 /nfs/dbraw/zinc/88/80/66/515888066.db2.gz WBKARBDORYIRQX-ZDUSSCGKSA-N 1 2 358.398 2.766 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cnccc2C)c([N+](=O)[O-])c1 ZINC000483026245 515888075 /nfs/dbraw/zinc/88/80/75/515888075.db2.gz WBKARBDORYIRQX-ZDUSSCGKSA-N 1 2 358.398 2.766 20 5 FFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000470176477 516163587 /nfs/dbraw/zinc/16/35/87/516163587.db2.gz WOAAZSNHBBRTAM-YBEGLDIGSA-N 1 2 355.442 2.549 20 5 FFBDLO CC[C@@H](C)NC(=O)CN1CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000470179414 516165537 /nfs/dbraw/zinc/16/55/37/516165537.db2.gz XGNMNXWPVPDNIW-NWNNTGRJSA-N 1 2 374.485 2.530 20 5 FFBDLO Cc1ccc2c(c1)C[N@@H+](CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)CCO2 ZINC000512276995 516220287 /nfs/dbraw/zinc/22/02/87/516220287.db2.gz KODLNJFLRRGPNL-UHFFFAOYSA-N 1 2 367.405 2.687 20 5 FFBDLO Cc1ccc2c(c1)C[N@H+](CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)CCO2 ZINC000512276995 516220294 /nfs/dbraw/zinc/22/02/94/516220294.db2.gz KODLNJFLRRGPNL-UHFFFAOYSA-N 1 2 367.405 2.687 20 5 FFBDLO Cc1sccc1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000507566597 516247149 /nfs/dbraw/zinc/24/71/49/516247149.db2.gz ODQIDNTXRRENTN-UHFFFAOYSA-N 1 2 351.453 2.984 20 5 FFBDLO COc1cc(C[NH2+]Cc2cc(C)on2)c([N+](=O)[O-])cc1OCC(F)F ZINC000543702458 516376544 /nfs/dbraw/zinc/37/65/44/516376544.db2.gz FDSBMZVMQJSFHZ-UHFFFAOYSA-N 1 2 357.313 2.834 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](c2[nH+]ccn2C)C2CC2)c1 ZINC000561124203 516394359 /nfs/dbraw/zinc/39/43/59/516394359.db2.gz OINBUHANSKDKSI-KRWDZBQOSA-N 1 2 358.398 2.673 20 5 FFBDLO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000543783999 516427244 /nfs/dbraw/zinc/42/72/44/516427244.db2.gz YWBWIUKOPWTINA-UHFFFAOYSA-N 1 2 366.324 2.939 20 5 FFBDLO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000543783999 516427251 /nfs/dbraw/zinc/42/72/51/516427251.db2.gz YWBWIUKOPWTINA-UHFFFAOYSA-N 1 2 366.324 2.939 20 5 FFBDLO Cn1c[nH+]cc1CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000518022213 516525733 /nfs/dbraw/zinc/52/57/33/516525733.db2.gz JEMHXNGTEPTRPE-UHFFFAOYSA-N 1 2 362.187 2.673 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000543998792 516532222 /nfs/dbraw/zinc/53/22/22/516532222.db2.gz RATCRNMOHBWXDY-UHFFFAOYSA-N 1 2 372.406 2.772 20 5 FFBDLO CC[N@H+](CC(=O)N1CCCCCC1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000513224608 516533311 /nfs/dbraw/zinc/53/33/11/516533311.db2.gz WTPCDCBRVYAALW-UHFFFAOYSA-N 1 2 359.430 2.696 20 5 FFBDLO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000513224608 516533323 /nfs/dbraw/zinc/53/33/23/516533323.db2.gz WTPCDCBRVYAALW-UHFFFAOYSA-N 1 2 359.430 2.696 20 5 FFBDLO Cc1[nH]c2ccc(NC(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)cc2[nH+]1 ZINC000531930395 516721061 /nfs/dbraw/zinc/72/10/61/516721061.db2.gz HNOYZHNIMFDPQR-UHFFFAOYSA-N 1 2 363.337 2.613 20 5 FFBDLO O=C(COc1cccc([N+](=O)[O-])c1)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000540851824 516735677 /nfs/dbraw/zinc/73/56/77/516735677.db2.gz DCAAPPJRILNAOV-UHFFFAOYSA-N 1 2 352.350 2.680 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000544653836 516857747 /nfs/dbraw/zinc/85/77/47/516857747.db2.gz YFDQQVRJXWDXCV-CYBMUJFWSA-N 1 2 364.427 2.851 20 5 FFBDLO C[C@H]1OCC[C@]1(O)C[N@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000555461990 516935052 /nfs/dbraw/zinc/93/50/52/516935052.db2.gz AWZRCWGJGDQGCO-QRWLVFNGSA-N 1 2 372.421 2.843 20 5 FFBDLO C[C@H]1OCC[C@]1(O)C[N@@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000555461990 516935059 /nfs/dbraw/zinc/93/50/59/516935059.db2.gz AWZRCWGJGDQGCO-QRWLVFNGSA-N 1 2 372.421 2.843 20 5 FFBDLO CCc1n[nH]c(C(=O)NCc2ccc3c(c2)[nH+]c(C)n3C2CC2)c1[N+](=O)[O-] ZINC000514587320 516947623 /nfs/dbraw/zinc/94/76/23/516947623.db2.gz VJIYNFIMOKMLNF-UHFFFAOYSA-N 1 2 368.397 2.803 20 5 FFBDLO O=[N+]([O-])c1cc(F)c(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)c(F)c1 ZINC000551968557 516995571 /nfs/dbraw/zinc/99/55/71/516995571.db2.gz FQHZVRASOWEPIS-LBPRGKRZSA-N 1 2 356.369 2.891 20 5 FFBDLO Cc1ccccc1[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000541348521 517003207 /nfs/dbraw/zinc/00/32/07/517003207.db2.gz PYWIWENDVRJPPI-UZLBHIALSA-N 1 2 372.421 2.716 20 5 FFBDLO Cc1ccccc1[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000541348521 517003217 /nfs/dbraw/zinc/00/32/17/517003217.db2.gz PYWIWENDVRJPPI-UZLBHIALSA-N 1 2 372.421 2.716 20 5 FFBDLO C[C@H]1C[C@H](NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c2[nH+]ccn21 ZINC000514713842 517018089 /nfs/dbraw/zinc/01/80/89/517018089.db2.gz HHPRZRCYEJBDBY-ZBEGNZNMSA-N 1 2 368.397 2.820 20 5 FFBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000555622759 517023446 /nfs/dbraw/zinc/02/34/46/517023446.db2.gz WZENHWBKHNIPSE-UHFFFAOYSA-N 1 2 350.378 2.812 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]CCNc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000552045416 517049068 /nfs/dbraw/zinc/04/90/68/517049068.db2.gz GNICCKFENFQYPH-KRWDZBQOSA-N 1 2 352.398 2.514 20 5 FFBDLO O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CC[NH+](C2CCC2)CC1 ZINC000562547099 517183759 /nfs/dbraw/zinc/18/37/59/517183759.db2.gz WPOWKROFJJLTPV-UHFFFAOYSA-N 1 2 361.445 2.992 20 5 FFBDLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)c1ccc([N+](=O)[O-])cn1 ZINC000515559065 517406712 /nfs/dbraw/zinc/40/67/12/517406712.db2.gz KGFVJQCKDMVXHI-UHFFFAOYSA-N 1 2 357.757 2.759 20 5 FFBDLO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ncn(-c3ccccc3)n2)n1 ZINC000559916159 517486058 /nfs/dbraw/zinc/48/60/58/517486058.db2.gz ROXCDLKWBYTJIW-HZPDHXFCSA-N 1 2 367.413 2.646 20 5 FFBDLO CC(C)[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1[nH]cc[nH+]1 ZINC000549355142 517524511 /nfs/dbraw/zinc/52/45/11/517524511.db2.gz RLFUEEKDZFYJDX-MRXNPFEDSA-N 1 2 369.381 2.758 20 5 FFBDLO Cc1cc(N2CC[NH+](CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000520882347 517541302 /nfs/dbraw/zinc/54/13/02/517541302.db2.gz XGAPHKSQPSIESR-RDJZCZTQSA-N 1 2 374.485 2.720 20 5 FFBDLO CCOC(=O)CC[N@H+](Cc1cccnc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000549544414 517611253 /nfs/dbraw/zinc/61/12/53/517611253.db2.gz NOTLFJBZDBTQNB-UHFFFAOYSA-N 1 2 359.382 2.651 20 5 FFBDLO CCOC(=O)CC[N@@H+](Cc1cccnc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000549544414 517611261 /nfs/dbraw/zinc/61/12/61/517611261.db2.gz NOTLFJBZDBTQNB-UHFFFAOYSA-N 1 2 359.382 2.651 20 5 FFBDLO O=C(NCCNc1ccc2ccccc2[nH+]1)Nc1ccc([N+](=O)[O-])cc1F ZINC000542709231 517697806 /nfs/dbraw/zinc/69/78/06/517697806.db2.gz GPBSJBODLYUAJK-UHFFFAOYSA-N 1 2 369.356 2.938 20 5 FFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543096268 517905773 /nfs/dbraw/zinc/90/57/73/517905773.db2.gz ZJPIMHNKOYRUDR-UHFFFAOYSA-N 1 2 357.414 2.827 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000553875128 517946309 /nfs/dbraw/zinc/94/63/09/517946309.db2.gz MAACMJOKFMBIEX-MRXNPFEDSA-N 1 2 356.382 2.774 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000553875128 517946320 /nfs/dbraw/zinc/94/63/20/517946320.db2.gz MAACMJOKFMBIEX-MRXNPFEDSA-N 1 2 356.382 2.774 20 5 FFBDLO NC(=O)c1cccc(NCc2ccc(Cn3cc[nH+]c3)cc2)c1[N+](=O)[O-] ZINC000557510449 518045833 /nfs/dbraw/zinc/04/58/33/518045833.db2.gz HTHAUFHJOVOAJU-UHFFFAOYSA-N 1 2 351.366 2.551 20 5 FFBDLO Cc1c(Br)c(NCc2ccn3cc[nH+]c3c2)ncc1[N+](=O)[O-] ZINC000543436973 518091625 /nfs/dbraw/zinc/09/16/25/518091625.db2.gz XVYVJXCWGCAGAY-UHFFFAOYSA-N 1 2 362.187 2.742 20 5 FFBDLO Cc1cc(N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)nc(C2CC2)[nH+]1 ZINC000522570788 518128685 /nfs/dbraw/zinc/12/86/85/518128685.db2.gz MGEDDANZDQELMW-UHFFFAOYSA-N 1 2 373.438 2.595 20 5 FFBDLO C[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535129384 518155699 /nfs/dbraw/zinc/15/56/99/518155699.db2.gz KEXIDSFYNRAGCH-UKRRQHHQSA-N 1 2 366.780 2.891 20 5 FFBDLO C[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535129384 518155701 /nfs/dbraw/zinc/15/57/01/518155701.db2.gz KEXIDSFYNRAGCH-UKRRQHHQSA-N 1 2 366.780 2.891 20 5 FFBDLO O=C(c1csc([N+](=O)[O-])c1)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000588845700 518848076 /nfs/dbraw/zinc/84/80/76/518848076.db2.gz NAVMMGYNOKXKKW-UHFFFAOYSA-N 1 2 366.468 2.891 20 5 FFBDLO C[C@@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@H](C)S1 ZINC000574028731 518952236 /nfs/dbraw/zinc/95/22/36/518952236.db2.gz CLPJAGSLPZXKKT-OKILXGFUSA-N 1 2 351.472 2.757 20 5 FFBDLO O=[N+]([O-])c1cc2c(nc1NCc1ccc(N3CCOCC3)[nH+]c1)CCCC2 ZINC000571435108 519094909 /nfs/dbraw/zinc/09/49/09/519094909.db2.gz DPWUYAVIFINLNT-UHFFFAOYSA-N 1 2 369.425 2.712 20 5 FFBDLO COc1cc(Cl)ccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000568580704 519109074 /nfs/dbraw/zinc/10/90/74/519109074.db2.gz QRLLQAWLIVLUOX-UHFFFAOYSA-N 1 2 362.817 2.974 20 5 FFBDLO O=C(C[N@@H+]1CCOC[C@H](C2CCC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000590022582 519131838 /nfs/dbraw/zinc/13/18/38/519131838.db2.gz DTRIJNMMDRAKAW-CYBMUJFWSA-N 1 2 367.833 2.935 20 5 FFBDLO O=C(C[N@H+]1CCOC[C@H](C2CCC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000590022582 519131848 /nfs/dbraw/zinc/13/18/48/519131848.db2.gz DTRIJNMMDRAKAW-CYBMUJFWSA-N 1 2 367.833 2.935 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(CN3CCC(Nc4cccc[nH+]4)CC3)nc2c1 ZINC000568715640 519176888 /nfs/dbraw/zinc/17/68/88/519176888.db2.gz DOXMOJCJDCNJKL-UHFFFAOYSA-N 1 2 352.398 2.943 20 5 FFBDLO COC(=O)c1c(Cl)c(NCCNc2cccc[nH+]2)ccc1[N+](=O)[O-] ZINC000590570611 519269934 /nfs/dbraw/zinc/26/99/34/519269934.db2.gz PQCUFNYDGWCJLI-UHFFFAOYSA-N 1 2 350.762 2.954 20 5 FFBDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000597296577 519942045 /nfs/dbraw/zinc/94/20/45/519942045.db2.gz NTTUCDJFASGFHI-CKEIUWERSA-N 1 2 358.423 2.706 20 5 FFBDLO CN(c1nc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cs1)C1CC1 ZINC000602962842 519994377 /nfs/dbraw/zinc/99/43/77/519994377.db2.gz PQEUUNXWWLERKJ-KRWDZBQOSA-N 1 2 362.455 2.647 20 5 FFBDLO CCOC(=O)Cc1ccc(NCc2ccc[nH+]c2N(C)C)c([N+](=O)[O-])c1 ZINC000591897151 520074996 /nfs/dbraw/zinc/07/49/96/520074996.db2.gz VSOZOQSXROWRMG-UHFFFAOYSA-N 1 2 358.398 2.774 20 5 FFBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609131296 520199946 /nfs/dbraw/zinc/19/99/46/520199946.db2.gz MDNIVTMGGHYZSU-INIZCTEOSA-N 1 2 353.382 2.610 20 5 FFBDLO CCOc1cc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])cc1OC ZINC000609131185 520200122 /nfs/dbraw/zinc/20/01/22/520200122.db2.gz JWLGOCBNYQUZHT-ZDUSSCGKSA-N 1 2 374.397 2.676 20 5 FFBDLO O=[N+]([O-])c1cc(F)cnc1N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000603420268 520259005 /nfs/dbraw/zinc/25/90/05/520259005.db2.gz RGPQDUKSBVFNHW-UHFFFAOYSA-N 1 2 371.294 2.869 20 5 FFBDLO O=C(C1CCCCC1)N1CC[NH+](CCNc2ccc([N+](=O)[O-])s2)CC1 ZINC000609587449 520368130 /nfs/dbraw/zinc/36/81/30/520368130.db2.gz XFPZTBHMZDZAFD-UHFFFAOYSA-N 1 2 366.487 2.793 20 5 FFBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000603867064 520384831 /nfs/dbraw/zinc/38/48/31/520384831.db2.gz GQTYEOVAEGVSTP-UHFFFAOYSA-N 1 2 354.366 2.846 20 5 FFBDLO CNc1ccc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000603922293 520406097 /nfs/dbraw/zinc/40/60/97/520406097.db2.gz HKERDWFGADRGOJ-UHFFFAOYSA-N 1 2 369.425 2.952 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000617349955 520446299 /nfs/dbraw/zinc/44/62/99/520446299.db2.gz CBHMQFPDZYBTTF-UHFFFAOYSA-N 1 2 361.423 2.623 20 5 FFBDLO C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1CCO ZINC000595695914 520654812 /nfs/dbraw/zinc/65/48/12/520654812.db2.gz JCLJUYMZKBSWJN-IAQYHMDHSA-N 1 2 355.822 2.670 20 5 FFBDLO C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1CCO ZINC000595695914 520654820 /nfs/dbraw/zinc/65/48/20/520654820.db2.gz JCLJUYMZKBSWJN-IAQYHMDHSA-N 1 2 355.822 2.670 20 5 FFBDLO CNc1ccc(C(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1[N+](=O)[O-] ZINC000610446025 520691461 /nfs/dbraw/zinc/69/14/61/520691461.db2.gz JGNVYIUHNQSCEY-UHFFFAOYSA-N 1 2 353.382 2.565 20 5 FFBDLO O=[N+]([O-])c1ccc(OCCCN2CC[NH+](Cc3cccc(O)c3)CC2)cc1 ZINC000610504424 520718474 /nfs/dbraw/zinc/71/84/74/520718474.db2.gz BWQWZTQVMVEQOY-UHFFFAOYSA-N 1 2 371.437 2.887 20 5 FFBDLO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ncc([N+](=O)[O-])cc1Br ZINC000610512523 520721528 /nfs/dbraw/zinc/72/15/28/520721528.db2.gz CUPXYWUDILNMID-WDEREUQCSA-N 1 2 355.236 2.815 20 5 FFBDLO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1c1ncc([N+](=O)[O-])cc1Br ZINC000610512523 520721539 /nfs/dbraw/zinc/72/15/39/520721539.db2.gz CUPXYWUDILNMID-WDEREUQCSA-N 1 2 355.236 2.815 20 5 FFBDLO CCn1cc(C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C(C)C)cn1 ZINC000593079092 520730401 /nfs/dbraw/zinc/73/04/01/520730401.db2.gz GSBVDWOVOJOJSK-UHFFFAOYSA-N 1 2 359.430 2.685 20 5 FFBDLO CCn1cc(C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C(C)C)cn1 ZINC000593079092 520730408 /nfs/dbraw/zinc/73/04/08/520730408.db2.gz GSBVDWOVOJOJSK-UHFFFAOYSA-N 1 2 359.430 2.685 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(c3ccon3)CC2)c([N+](=O)[O-])c1 ZINC000595828789 520751795 /nfs/dbraw/zinc/75/17/95/520751795.db2.gz MOYKKSSMDDVZDE-GFCCVEGCSA-N 1 2 374.397 2.798 20 5 FFBDLO COc1cc(C[NH2+][C@H](CO)c2ccc(F)cc2F)c([N+](=O)[O-])cc1F ZINC000595867336 520779663 /nfs/dbraw/zinc/77/96/63/520779663.db2.gz 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Cc1cc[nH+]c([C@H]2CCN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])C2)c1 ZINC000599100088 521032096 /nfs/dbraw/zinc/03/20/96/521032096.db2.gz JRMOFYKPJUXQFI-NSHDSACASA-N 1 2 367.452 2.757 20 5 FFBDLO Cc1cc(S(=O)(=O)Nc2cccc3c2CC[N@@H+](C)C3)c([N+](=O)[O-])s1 ZINC000601964384 521045348 /nfs/dbraw/zinc/04/53/48/521045348.db2.gz ZHYSMOWXPMBBMT-UHFFFAOYSA-N 1 2 367.452 2.753 20 5 FFBDLO Cc1cc(S(=O)(=O)Nc2cccc3c2CC[N@H+](C)C3)c([N+](=O)[O-])s1 ZINC000601964384 521045354 /nfs/dbraw/zinc/04/53/54/521045354.db2.gz ZHYSMOWXPMBBMT-UHFFFAOYSA-N 1 2 367.452 2.753 20 5 FFBDLO O=C(CC1CCCC1)N1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000611254157 521059458 /nfs/dbraw/zinc/05/94/58/521059458.db2.gz UYKYMRGNOBSJOF-UHFFFAOYSA-N 1 2 361.442 2.915 20 5 FFBDLO O=C(CC1CCCC1)N1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000611254157 521059466 /nfs/dbraw/zinc/05/94/66/521059466.db2.gz UYKYMRGNOBSJOF-UHFFFAOYSA-N 1 2 361.442 2.915 20 5 FFBDLO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000599180207 521072870 /nfs/dbraw/zinc/07/28/70/521072870.db2.gz VZWBHTLXCXOKLL-UHFFFAOYSA-N 1 2 368.441 2.923 20 5 FFBDLO CS(=O)(=O)C1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000611273997 521073633 /nfs/dbraw/zinc/07/36/33/521073633.db2.gz USFGIPPHZSATRJ-UHFFFAOYSA-N 1 2 364.423 2.864 20 5 FFBDLO Cn1ncc(C2CC2)c1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000596474219 521089309 /nfs/dbraw/zinc/08/93/09/521089309.db2.gz XSICFJRUGCXICA-UHFFFAOYSA-N 1 2 371.441 2.650 20 5 FFBDLO CCc1cc(NCCc2cncc(C)n2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596498196 521100503 /nfs/dbraw/zinc/10/05/03/521100503.db2.gz KMRMJWDJMSCSJZ-UHFFFAOYSA-N 1 2 364.409 2.789 20 5 FFBDLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000593660657 521137085 /nfs/dbraw/zinc/13/70/85/521137085.db2.gz NEKCJWJZRYHUSS-CQSZACIVSA-N 1 2 366.414 2.536 20 5 FFBDLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000593660657 521137095 /nfs/dbraw/zinc/13/70/95/521137095.db2.gz NEKCJWJZRYHUSS-CQSZACIVSA-N 1 2 366.414 2.536 20 5 FFBDLO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000593660656 521138526 /nfs/dbraw/zinc/13/85/26/521138526.db2.gz NEKCJWJZRYHUSS-AWEZNQCLSA-N 1 2 366.414 2.536 20 5 FFBDLO CC[C@H]1COC(C)(C)C[N@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000593660656 521138534 /nfs/dbraw/zinc/13/85/34/521138534.db2.gz NEKCJWJZRYHUSS-AWEZNQCLSA-N 1 2 366.414 2.536 20 5 FFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596597575 521155260 /nfs/dbraw/zinc/15/52/60/521155260.db2.gz CGRSACAIEFKMSG-ZDUSSCGKSA-N 1 2 371.441 2.740 20 5 FFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596597575 521155263 /nfs/dbraw/zinc/15/52/63/521155263.db2.gz CGRSACAIEFKMSG-ZDUSSCGKSA-N 1 2 371.441 2.740 20 5 FFBDLO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000596599721 521159023 /nfs/dbraw/zinc/15/90/23/521159023.db2.gz WYZQVKLGBIHULU-UHFFFAOYSA-N 1 2 368.397 2.952 20 5 FFBDLO CC1(C)Cc2n[nH]cc2C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000596599721 521159032 /nfs/dbraw/zinc/15/90/32/521159032.db2.gz WYZQVKLGBIHULU-UHFFFAOYSA-N 1 2 368.397 2.952 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(C(=O)c2cccn2C)CC1 ZINC000611515350 521195725 /nfs/dbraw/zinc/19/57/25/521195725.db2.gz MODBARCCJBBIBU-OAHLLOKOSA-N 1 2 356.426 2.761 20 5 FFBDLO Cc1noc(C[N@@H+]2CCC[C@]3(CC(=O)c4ccccc4O3)C2)c1[N+](=O)[O-] ZINC000599576833 521307801 /nfs/dbraw/zinc/30/78/01/521307801.db2.gz VERPEIANDFRGCD-SFHVURJKSA-N 1 2 357.366 2.891 20 5 FFBDLO Cc1noc(C[N@H+]2CCC[C@]3(CC(=O)c4ccccc4O3)C2)c1[N+](=O)[O-] ZINC000599576833 521307804 /nfs/dbraw/zinc/30/78/04/521307804.db2.gz VERPEIANDFRGCD-SFHVURJKSA-N 1 2 357.366 2.891 20 5 FFBDLO O=C([C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl)N1CCSCC1 ZINC000611777604 521326388 /nfs/dbraw/zinc/32/63/88/521326388.db2.gz DLEDTEUGDKKGHC-OAHLLOKOSA-N 1 2 369.874 2.788 20 5 FFBDLO O=C([C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl)N1CCSCC1 ZINC000611777604 521326396 /nfs/dbraw/zinc/32/63/96/521326396.db2.gz DLEDTEUGDKKGHC-OAHLLOKOSA-N 1 2 369.874 2.788 20 5 FFBDLO Cn1cc(N2CC[NH+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cn1 ZINC000602467008 521361318 /nfs/dbraw/zinc/36/13/18/521361318.db2.gz CDWQMIIARLYMNU-UHFFFAOYSA-N 1 2 369.347 2.669 20 5 FFBDLO Cc1noc(CN2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)c1[N+](=O)[O-] ZINC000599658424 521371362 /nfs/dbraw/zinc/37/13/62/521371362.db2.gz CFFAMWWKXXGRIO-UHFFFAOYSA-N 1 2 355.398 2.690 20 5 FFBDLO O=C(N[C@H](C1CC1)[C@H]1CCCCO1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000594069642 521387948 /nfs/dbraw/zinc/38/79/48/521387948.db2.gz CLDASKJDHQKYCE-QZTJIDSGSA-N 1 2 370.409 2.858 20 5 FFBDLO Cc1c(C[N@H+](C)CC(=O)Nc2ccc3c(c2)OCCO3)cccc1[N+](=O)[O-] ZINC000599682553 521397531 /nfs/dbraw/zinc/39/75/31/521397531.db2.gz FZGZQTHYCCJZKB-UHFFFAOYSA-N 1 2 371.393 2.745 20 5 FFBDLO Cc1c(C[N@@H+](C)CC(=O)Nc2ccc3c(c2)OCCO3)cccc1[N+](=O)[O-] ZINC000599682553 521397534 /nfs/dbraw/zinc/39/75/34/521397534.db2.gz FZGZQTHYCCJZKB-UHFFFAOYSA-N 1 2 371.393 2.745 20 5 FFBDLO CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599691508 521405333 /nfs/dbraw/zinc/40/53/33/521405333.db2.gz SDLYHODOMAJMHU-KRWDZBQOSA-N 1 2 358.398 2.740 20 5 FFBDLO CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599691508 521405337 /nfs/dbraw/zinc/40/53/37/521405337.db2.gz SDLYHODOMAJMHU-KRWDZBQOSA-N 1 2 358.398 2.740 20 5 FFBDLO COc1ccc(-c2ccc(C[N@H+](C)Cc3cn(C)nn3)o2)c([N+](=O)[O-])c1 ZINC000597210882 521576406 /nfs/dbraw/zinc/57/64/06/521576406.db2.gz NXAYHVAQAUZMBB-UHFFFAOYSA-N 1 2 357.370 2.624 20 5 FFBDLO COc1ccc(-c2ccc(C[N@@H+](C)Cc3cn(C)nn3)o2)c([N+](=O)[O-])c1 ZINC000597210882 521576412 /nfs/dbraw/zinc/57/64/12/521576412.db2.gz NXAYHVAQAUZMBB-UHFFFAOYSA-N 1 2 357.370 2.624 20 5 FFBDLO C[N@@H+](CC(=O)Nc1cccc(Cl)c1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153714605 728786389 /nfs/dbraw/zinc/78/63/89/728786389.db2.gz SAMFVYVKENHLFO-MRXNPFEDSA-N 1 2 363.801 2.852 20 5 FFBDLO C[N@H+](CC(=O)Nc1cccc(Cl)c1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153714605 728786391 /nfs/dbraw/zinc/78/63/91/728786391.db2.gz SAMFVYVKENHLFO-MRXNPFEDSA-N 1 2 363.801 2.852 20 5 FFBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898484631 735367055 /nfs/dbraw/zinc/36/70/55/735367055.db2.gz VLRKCVVBBUZFIQ-QWHCGFSZSA-N 1 2 355.435 2.626 20 5 FFBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898484631 735367057 /nfs/dbraw/zinc/36/70/57/735367057.db2.gz VLRKCVVBBUZFIQ-QWHCGFSZSA-N 1 2 355.435 2.626 20 5 FFBDLO O=C(N[C@H]1CCC[N@H+](CCF)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000898494298 735369435 /nfs/dbraw/zinc/36/94/35/735369435.db2.gz JUNNGONGWLAYDB-JTQLQIEISA-N 1 2 374.210 2.521 20 5 FFBDLO O=C(N[C@H]1CCC[N@@H+](CCF)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000898494298 735369440 /nfs/dbraw/zinc/36/94/40/735369440.db2.gz JUNNGONGWLAYDB-JTQLQIEISA-N 1 2 374.210 2.521 20 5 FFBDLO CCN(CC)C(=O)C[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000129272571 728710949 /nfs/dbraw/zinc/71/09/49/728710949.db2.gz KCKUNJBVKCNBME-UHFFFAOYSA-N 1 2 358.236 2.658 20 5 FFBDLO CCN(CC)C(=O)C[N@@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000129272571 728710950 /nfs/dbraw/zinc/71/09/50/728710950.db2.gz KCKUNJBVKCNBME-UHFFFAOYSA-N 1 2 358.236 2.658 20 5 FFBDLO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000134902895 728733951 /nfs/dbraw/zinc/73/39/51/728733951.db2.gz ZODWVWYGWJCKGO-OAHLLOKOSA-N 1 2 367.833 2.575 20 5 FFBDLO CCS[C@@H]1CC[C@@H]([N@H+](C)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000173486602 729048459 /nfs/dbraw/zinc/04/84/59/729048459.db2.gz VEIPWTXIVKNYSG-VXGBXAGGSA-N 1 2 363.439 2.754 20 5 FFBDLO CCS[C@@H]1CC[C@@H]([N@@H+](C)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000173486602 729048461 /nfs/dbraw/zinc/04/84/61/729048461.db2.gz VEIPWTXIVKNYSG-VXGBXAGGSA-N 1 2 363.439 2.754 20 5 FFBDLO CC(C)[C@@H](CC[N@H+](C)Cn1nccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000176151791 729110840 /nfs/dbraw/zinc/11/08/40/729110840.db2.gz SRDUMZBDGUSEEE-CYBMUJFWSA-N 1 2 355.439 2.620 20 5 FFBDLO CC(C)[C@@H](CC[N@@H+](C)Cn1nccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000176151791 729110845 /nfs/dbraw/zinc/11/08/45/729110845.db2.gz SRDUMZBDGUSEEE-CYBMUJFWSA-N 1 2 355.439 2.620 20 5 FFBDLO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[NH+](Cc2ccsc2)CC1 ZINC000864625849 730866572 /nfs/dbraw/zinc/86/65/72/730866572.db2.gz YFFPFTRFWZQZMM-UHFFFAOYSA-N 1 2 363.414 2.682 20 5 FFBDLO C[C@@H]1C[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC[C@@H](C(F)(F)F)O1 ZINC000872816454 731836627 /nfs/dbraw/zinc/83/66/27/731836627.db2.gz JBLAFYNDPBMZFM-YGRLFVJLSA-N 1 2 358.320 2.944 20 5 FFBDLO C[C@@H]1C[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC[C@@H](C(F)(F)F)O1 ZINC000872816454 731836632 /nfs/dbraw/zinc/83/66/32/731836632.db2.gz JBLAFYNDPBMZFM-YGRLFVJLSA-N 1 2 358.320 2.944 20 5 FFBDLO CC1(C)CCC[C@@H](C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)O1 ZINC000877960618 732457994 /nfs/dbraw/zinc/45/79/94/732457994.db2.gz WAWCFKVLHNVLNI-ZDUSSCGKSA-N 1 2 367.471 2.762 20 5 FFBDLO CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886002098 733739509 /nfs/dbraw/zinc/73/95/09/733739509.db2.gz QHKSROJPWOTKGV-UHFFFAOYSA-N 1 2 350.419 2.821 20 5 FFBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000888280905 734030784 /nfs/dbraw/zinc/03/07/84/734030784.db2.gz GNOZFSUTNGCVFK-TXEJJXNPSA-N 1 2 368.821 2.541 20 5 FFBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000888280905 734030787 /nfs/dbraw/zinc/03/07/87/734030787.db2.gz GNOZFSUTNGCVFK-TXEJJXNPSA-N 1 2 368.821 2.541 20 5 FFBDLO O=C(NC1C[C@H]2CC[C@@H](C1)S2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000888354711 734041474 /nfs/dbraw/zinc/04/14/74/734041474.db2.gz AYWSTLXGGFBPSW-AGUYFDCRSA-N 1 2 358.423 2.937 20 5 FFBDLO C[NH+](C)Cc1csc(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000927770715 738781098 /nfs/dbraw/zinc/78/10/98/738781098.db2.gz IBDGMEBVHGCVDO-UHFFFAOYSA-N 1 2 354.819 2.696 20 5 FFBDLO C[C@]12CSC[C@H]1CN(C(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)C2 ZINC000891191591 734393543 /nfs/dbraw/zinc/39/35/43/734393543.db2.gz SJUQIEHDVWRHBD-DYVFJYSZSA-N 1 2 358.423 2.606 20 5 FFBDLO O=[N+]([O-])c1cccc2c1ccnc2N1CC[NH+](Cc2cncs2)CC1 ZINC000894854414 734928195 /nfs/dbraw/zinc/92/81/95/734928195.db2.gz AUEMNSAGNHWLJW-UHFFFAOYSA-N 1 2 355.423 2.922 20 5 FFBDLO CCn1c[nH+]c2c1CCN(c1c(Cl)cc([N+](=O)[O-])cc1C(=O)OC)C2 ZINC000896661052 735178685 /nfs/dbraw/zinc/17/86/85/735178685.db2.gz YCVRCXPKGQBVCW-UHFFFAOYSA-N 1 2 364.789 2.814 20 5 FFBDLO Cn1nc(C(F)(F)F)cc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000896839465 735185466 /nfs/dbraw/zinc/18/54/66/735185466.db2.gz AUMRFHWSNVPLFA-UHFFFAOYSA-N 1 2 355.276 2.778 20 5 FFBDLO COc1cc([C@H](C)[NH2+]Cc2c(Br)cnn2C)cc([N+](=O)[O-])c1 ZINC000903209304 736055277 /nfs/dbraw/zinc/05/52/77/736055277.db2.gz KFGOOMHZWAECFK-VIFPVBQESA-N 1 2 369.219 2.950 20 5 FFBDLO CC1(C)COCC[N@@H+]1CCNc1cc(Br)ccc1[N+](=O)[O-] ZINC000765489608 737124100 /nfs/dbraw/zinc/12/41/00/737124100.db2.gz HJEKNKHDBYRSOX-UHFFFAOYSA-N 1 2 358.236 2.880 20 5 FFBDLO CC1(C)COCC[N@H+]1CCNc1cc(Br)ccc1[N+](=O)[O-] ZINC000765489608 737124102 /nfs/dbraw/zinc/12/41/02/737124102.db2.gz HJEKNKHDBYRSOX-UHFFFAOYSA-N 1 2 358.236 2.880 20 5 FFBDLO COc1ccc(C[N@H+](C)C2CN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000769748050 737560912 /nfs/dbraw/zinc/56/09/12/737560912.db2.gz VWMRIYCPQBEMOW-UHFFFAOYSA-N 1 2 351.403 2.655 20 5 FFBDLO COc1ccc(C[N@@H+](C)C2CN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000769748050 737560917 /nfs/dbraw/zinc/56/09/17/737560917.db2.gz VWMRIYCPQBEMOW-UHFFFAOYSA-N 1 2 351.403 2.655 20 5 FFBDLO CC(=O)OC1CC[NH+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 ZINC000774639112 738008295 /nfs/dbraw/zinc/00/82/95/738008295.db2.gz JARJBSZGCPDUDU-UHFFFAOYSA-N 1 2 352.778 2.583 20 5 FFBDLO CC[C@]1(CO)CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000778327542 738372717 /nfs/dbraw/zinc/37/27/17/738372717.db2.gz YKESCBVPXHJIPB-INIZCTEOSA-N 1 2 355.822 2.671 20 5 FFBDLO CC[C@]1(CO)CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000778327542 738372720 /nfs/dbraw/zinc/37/27/20/738372720.db2.gz YKESCBVPXHJIPB-INIZCTEOSA-N 1 2 355.822 2.671 20 5 FFBDLO CC(=O)N(C)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000929417420 738982742 /nfs/dbraw/zinc/98/27/42/738982742.db2.gz OGPBMQQOSLTICM-UHFFFAOYSA-N 1 2 370.247 2.800 20 5 FFBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2c2cncc(Br)c2)c1 ZINC000932251066 739415881 /nfs/dbraw/zinc/41/58/81/739415881.db2.gz JENNBARVOZRTPG-CQSZACIVSA-N 1 2 366.219 2.786 20 5 FFBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]2c2cncc(Br)c2)c1 ZINC000932251066 739415885 /nfs/dbraw/zinc/41/58/85/739415885.db2.gz JENNBARVOZRTPG-CQSZACIVSA-N 1 2 366.219 2.786 20 5 FFBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2c2cncc(Br)c2)n1 ZINC000932252219 739415957 /nfs/dbraw/zinc/41/59/57/739415957.db2.gz ZYGJIJIHNQCLTN-CYBMUJFWSA-N 1 2 366.219 2.786 20 5 FFBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2c2cncc(Br)c2)n1 ZINC000932252219 739415961 /nfs/dbraw/zinc/41/59/61/739415961.db2.gz ZYGJIJIHNQCLTN-CYBMUJFWSA-N 1 2 366.219 2.786 20 5 FFBDLO O=[N+]([O-])c1ccc(OCC[N@@H+](CCO)Cc2cccnc2Cl)cc1 ZINC000796564945 740155362 /nfs/dbraw/zinc/15/53/62/740155362.db2.gz UMDVGZCKDDRUMI-UHFFFAOYSA-N 1 2 351.790 2.517 20 5 FFBDLO O=[N+]([O-])c1ccc(OCC[N@H+](CCO)Cc2cccnc2Cl)cc1 ZINC000796564945 740155366 /nfs/dbraw/zinc/15/53/66/740155366.db2.gz UMDVGZCKDDRUMI-UHFFFAOYSA-N 1 2 351.790 2.517 20 5 FFBDLO C[N@H+](CC(F)F)C1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000804534261 740880884 /nfs/dbraw/zinc/88/08/84/740880884.db2.gz FRCSCYCYGPDMKZ-UHFFFAOYSA-N 1 2 357.386 2.765 20 5 FFBDLO C[N@@H+](CC(F)F)C1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000804534261 740880887 /nfs/dbraw/zinc/88/08/87/740880887.db2.gz FRCSCYCYGPDMKZ-UHFFFAOYSA-N 1 2 357.386 2.765 20 5 FFBDLO CCOC1CC(CNc2cc(Cl)ccc2[N+](=O)[O-])([NH+]2CCOCC2)C1 ZINC000804660151 740894094 /nfs/dbraw/zinc/89/40/94/740894094.db2.gz QSADTRSEWIMKCT-UHFFFAOYSA-N 1 2 369.849 2.930 20 5 FFBDLO COc1cc(C[N@H+](C)C2CN(C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000810072833 741381371 /nfs/dbraw/zinc/38/13/71/741381371.db2.gz PFPULANDFQRISG-UHFFFAOYSA-N 1 2 351.403 2.655 20 5 FFBDLO COc1cc(C[N@@H+](C)C2CN(C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000810072833 741381374 /nfs/dbraw/zinc/38/13/74/741381374.db2.gz PFPULANDFQRISG-UHFFFAOYSA-N 1 2 351.403 2.655 20 5 FFBDLO Cc1cc(CNS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC000817142454 742094273 /nfs/dbraw/zinc/09/42/73/742094273.db2.gz SGKKGAGVYGAJLV-UHFFFAOYSA-N 1 2 353.375 2.533 20 5 FFBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC001005379853 742253093 /nfs/dbraw/zinc/25/30/93/742253093.db2.gz YCAGUKYLSBSSML-GDBMZVCRSA-N 1 2 369.824 2.567 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC000822750123 742778478 /nfs/dbraw/zinc/77/84/78/742778478.db2.gz HUPIWNCFPJSBSJ-ZDUSSCGKSA-N 1 2 372.252 2.937 20 5 FFBDLO C[N@@H+]1CCCC[C@H]1C(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000823593874 742942722 /nfs/dbraw/zinc/94/27/22/742942722.db2.gz KPMGGGXWRYYHAA-WCQYABFASA-N 1 2 363.311 2.938 20 5 FFBDLO C[N@H+]1CCCC[C@H]1C(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000823593874 742942730 /nfs/dbraw/zinc/94/27/30/742942730.db2.gz KPMGGGXWRYYHAA-WCQYABFASA-N 1 2 363.311 2.938 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1F ZINC000825737805 743320842 /nfs/dbraw/zinc/32/08/42/743320842.db2.gz FRYHLGURCRAGOV-JTQLQIEISA-N 1 2 350.325 2.924 20 5 FFBDLO C[NH+](C)Cc1csc(CNC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)n1 ZINC000829976082 745287716 /nfs/dbraw/zinc/28/77/16/745287716.db2.gz KFPOZUXTYFQMFQ-GJZGRUSLSA-N 1 2 360.439 2.533 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]CC1SCCS1)c1cccc([N+](=O)[O-])c1 ZINC000850561726 749388097 /nfs/dbraw/zinc/38/80/97/749388097.db2.gz QONJENVBQDIMPU-CQSZACIVSA-N 1 2 350.469 2.813 20 5 FFBDLO CCCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000852038435 749758924 /nfs/dbraw/zinc/75/89/24/749758924.db2.gz OAFDDNNBANJEQO-ZDUSSCGKSA-N 1 2 354.407 2.772 20 5 FFBDLO CCCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000852038435 749758929 /nfs/dbraw/zinc/75/89/29/749758929.db2.gz OAFDDNNBANJEQO-ZDUSSCGKSA-N 1 2 354.407 2.772 20 5 FFBDLO COc1c(C)c[nH+]c(CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c1C ZINC000123284890 971701061 /nfs/dbraw/zinc/70/10/61/971701061.db2.gz KIVRYTSWUYURFM-UHFFFAOYSA-N 1 2 370.409 2.883 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1)c1ccc([N+](=O)[O-])cc1 ZINC000872108843 1013146926 /nfs/dbraw/zinc/14/69/26/1013146926.db2.gz YINDMZKWPLCPLQ-LAVFITLUSA-N 1 2 356.426 2.965 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H](O)c3ccc(F)c(F)c3)CC2)cc1 ZINC000051093568 963983225 /nfs/dbraw/zinc/98/32/25/963983225.db2.gz QVZGZWJVCCYQBA-SFHVURJKSA-N 1 2 363.364 2.729 20 5 FFBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@H](O)c2ccc(F)cc2F)CC1 ZINC000051114292 964013517 /nfs/dbraw/zinc/01/35/17/964013517.db2.gz IORVJBBNZXNZED-SFHVURJKSA-N 1 2 363.364 2.729 20 5 FFBDLO C[C@H](CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1[N+](=O)[O-] ZINC000897063244 973215428 /nfs/dbraw/zinc/21/54/28/973215428.db2.gz MQWSVSGFOQAWKS-GDBMZVCRSA-N 1 2 370.409 2.956 20 5 FFBDLO O=[N+]([O-])c1ccc(OC2C[NH+](C[C@@H](O)CC[C@@H](O)c3ccccc3)C2)cc1 ZINC000899882712 977378569 /nfs/dbraw/zinc/37/85/69/977378569.db2.gz BJXZQFDAFFELER-FXAWDEMLSA-N 1 2 372.421 2.533 20 5 FFBDLO Cn1cc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)c([N+](=O)[O-])n1 ZINC000876794650 1014396224 /nfs/dbraw/zinc/39/62/24/1014396224.db2.gz YWKABAKLHNEEKL-MRXNPFEDSA-N 1 2 356.382 2.657 20 5 FFBDLO Cn1cc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)c([N+](=O)[O-])n1 ZINC000876794650 1014396228 /nfs/dbraw/zinc/39/62/28/1014396228.db2.gz YWKABAKLHNEEKL-MRXNPFEDSA-N 1 2 356.382 2.657 20 5 FFBDLO C/C(=C\C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C[NH+]1CCOCC1 ZINC000908970110 981579871 /nfs/dbraw/zinc/57/98/71/981579871.db2.gz ZJMJWETVGANZGH-IYICPGQYSA-N 1 2 373.453 2.579 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]Cc3cnc4n3CCOC4)cs2)c1 ZINC000898270395 982662677 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CC[N@@H+](C)[C@@H](C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000870828969 1012581993 /nfs/dbraw/zinc/58/19/93/1012581993.db2.gz YRJUXCSYTBVLRL-BDVYOWHSSA-N 1 2 358.398 2.731 20 5 FFBDLO O=C(N[C@H](C1CCC1)[C@@H]1CCOC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000871290144 1012830173 /nfs/dbraw/zinc/83/01/73/1012830173.db2.gz MFGPLSBMSIUHGV-CRAIPNDOSA-N 1 2 370.409 2.716 20 5 FFBDLO COc1cc(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)c([N+](=O)[O-])cc1F ZINC000927077484 1018351151 /nfs/dbraw/zinc/35/11/51/1018351151.db2.gz VVVQSMMZBBBTOA-UHFFFAOYSA-N 1 2 374.372 2.854 20 5 FFBDLO C[C@@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000928248673 1018908963 /nfs/dbraw/zinc/90/89/63/1018908963.db2.gz LVSWFOKAUCVMER-OAHLLOKOSA-N 1 2 369.421 2.918 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000470306619 1019057265 /nfs/dbraw/zinc/05/72/65/1019057265.db2.gz FZQYQCLSPCKWIS-HNNXBMFYSA-N 1 2 367.409 2.689 20 5 FFBDLO 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COc1ccc([C@H]2CCC[N@H+]2Cn2nc(C)c3cc([N+](=O)[O-])cnc32)nc1 ZINC000902653753 1020377978 /nfs/dbraw/zinc/37/79/78/1020377978.db2.gz OQGAWJAPXQVAFK-QGZVFWFLSA-N 1 2 368.397 2.846 20 5 FFBDLO CC(C)(C)C1=CC[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000758357793 1024069081 /nfs/dbraw/zinc/06/90/81/1024069081.db2.gz LFJXVRQJYJQBPV-UHFFFAOYSA-N 1 2 372.425 2.999 20 5 FFBDLO CC(C)(C)C1=CC[N@@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000758357793 1024069095 /nfs/dbraw/zinc/06/90/95/1024069095.db2.gz LFJXVRQJYJQBPV-UHFFFAOYSA-N 1 2 372.425 2.999 20 5 FFBDLO CC(C)C[N@@H+](Cc1cnn(C)c1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000840156697 1026989794 /nfs/dbraw/zinc/98/97/94/1026989794.db2.gz LMBZRLYAZOWQGH-UHFFFAOYSA-N 1 2 369.429 2.703 20 5 FFBDLO CC(C)C[N@H+](Cc1cnn(C)c1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000840156697 1026989795 /nfs/dbraw/zinc/98/97/95/1026989795.db2.gz LMBZRLYAZOWQGH-UHFFFAOYSA-N 1 2 369.429 2.703 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001158621462 1027076064 /nfs/dbraw/zinc/07/60/64/1027076064.db2.gz GIVOQDZAEDXTCI-HNNXBMFYSA-N 1 2 363.368 2.848 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC001161012638 1027975150 /nfs/dbraw/zinc/97/51/50/1027975150.db2.gz GFTGKLLQINNFLR-CYBMUJFWSA-N 1 2 351.366 2.975 20 5 FFBDLO CCOC(=O)C[NH+]1CCC(Nc2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001161084100 1028004603 /nfs/dbraw/zinc/00/46/03/1028004603.db2.gz ZOEWYKKKIVANQZ-UHFFFAOYSA-N 1 2 358.398 2.582 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@H](O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000780762623 1028798972 /nfs/dbraw/zinc/79/89/72/1028798972.db2.gz LVPDPMNWYKWFIJ-ZWKOTPCHSA-N 1 2 352.394 2.741 20 5 FFBDLO Cc1cccc([C@H]2CC[N@H+](CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C2)c1 ZINC000784024267 1030424550 /nfs/dbraw/zinc/42/45/50/1030424550.db2.gz DOFCVJWFVNTAEY-HNNXBMFYSA-N 1 2 365.389 2.946 20 5 FFBDLO Cc1cccc([C@H]2CC[N@@H+](CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C2)c1 ZINC000784024267 1030424559 /nfs/dbraw/zinc/42/45/59/1030424559.db2.gz DOFCVJWFVNTAEY-HNNXBMFYSA-N 1 2 365.389 2.946 20 5 FFBDLO CCOc1ccc(C(=O)OCC2CN(c3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000842893689 1031028076 /nfs/dbraw/zinc/02/80/76/1031028076.db2.gz YFHMNCQHFZRRNN-UHFFFAOYSA-N 1 2 357.366 2.682 20 5 FFBDLO Cc1cc(OS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000799749380 1031870399 /nfs/dbraw/zinc/87/03/99/1031870399.db2.gz QCFFCKRHSBXPQN-UHFFFAOYSA-N 1 2 373.390 2.916 20 5 FFBDLO C[C@@H](C[NH+]1CCOCC1)OCc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC001223733974 1033568411 /nfs/dbraw/zinc/56/84/11/1033568411.db2.gz UGJRLBFEWVRHRP-ZDUSSCGKSA-N 1 2 363.439 2.956 20 5 FFBDLO C[C@H](C[NH+]1CCOCC1)OCc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC001223733973 1033568615 /nfs/dbraw/zinc/56/86/15/1033568615.db2.gz UGJRLBFEWVRHRP-CYBMUJFWSA-N 1 2 363.439 2.956 20 5 FFBDLO Cc1cnc(O[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC001227236013 1034981150 /nfs/dbraw/zinc/98/11/50/1034981150.db2.gz BEGRTOFDDXSIPR-QAPCUYQASA-N 1 2 357.410 2.967 20 5 FFBDLO Cc1cnc(O[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC001227236013 1034981154 /nfs/dbraw/zinc/98/11/54/1034981154.db2.gz BEGRTOFDDXSIPR-QAPCUYQASA-N 1 2 357.410 2.967 20 5 FFBDLO Cc1ccc(N2CCC(Oc3nc(C4CC4)[nH]c(=O)c3[N+](=O)[O-])CC2)[nH+]c1 ZINC001228609730 1036203965 /nfs/dbraw/zinc/20/39/65/1036203965.db2.gz HJCGAUMGXVGJHL-UHFFFAOYSA-N 1 2 371.397 2.719 20 5 FFBDLO C[C@@H](Oc1cc([N+](=O)[O-])ccc1O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001229396694 1036649144 /nfs/dbraw/zinc/64/91/44/1036649144.db2.gz WPKKCSCERXZHIX-KUHUBIRLSA-N 1 2 358.394 2.969 20 5 FFBDLO C[C@@H](Oc1cc([N+](=O)[O-])ccc1O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001229396694 1036649158 /nfs/dbraw/zinc/64/91/58/1036649158.db2.gz WPKKCSCERXZHIX-KUHUBIRLSA-N 1 2 358.394 2.969 20 5 FFBDLO CCCSc1nc(OC2CCC([NH+](C)C)CC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229791775 1036897890 /nfs/dbraw/zinc/89/78/90/1036897890.db2.gz MBKONOGLXOLPMA-UHFFFAOYSA-N 1 2 356.448 2.844 20 5 FFBDLO C[C@H](C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC001255840557 1038198199 /nfs/dbraw/zinc/19/81/99/1038198199.db2.gz VSPCLMGKSRMIQC-GJZGRUSLSA-N 1 2 356.426 2.913 20 5 FFBDLO COC(=O)[C@@](C)(Cc1ccccc1)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254582437 1040814974 /nfs/dbraw/zinc/81/49/74/1040814974.db2.gz UNTZTMWEAPAJTI-FXAWDEMLSA-N 1 2 354.406 2.826 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCn3cc(C(F)(F)F)nc3C1)C2 ZINC001254599992 1040829758 /nfs/dbraw/zinc/82/97/58/1040829758.db2.gz NYXDZZVPINBDSH-CYBMUJFWSA-N 1 2 352.316 2.793 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCn3cc(C(F)(F)F)nc3C1)C2 ZINC001254599992 1040829764 /nfs/dbraw/zinc/82/97/64/1040829764.db2.gz NYXDZZVPINBDSH-CYBMUJFWSA-N 1 2 352.316 2.793 20 5 FFBDLO Cc1ccc(C(=O)N2CC[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)cc1 ZINC001254608640 1040837584 /nfs/dbraw/zinc/83/75/84/1040837584.db2.gz RWCODNRCHAYIEZ-HXUWFJFHSA-N 1 2 365.433 2.828 20 5 FFBDLO Cc1cnc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c(C)c1 ZINC001288707734 1047500581 /nfs/dbraw/zinc/50/05/81/1047500581.db2.gz BYRUKRQTDXQPFV-UHFFFAOYSA-N 1 2 351.366 2.722 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCC[C@@]12CCOC2 ZINC001341014565 1051351016 /nfs/dbraw/zinc/35/10/16/1051351016.db2.gz HWNDZGWMUGOACE-SFHVURJKSA-N 1 2 356.382 2.566 20 5 FFBDLO CCOC(=O)c1cc([N+](=O)[O-])c(NCC[N@@H+]2CCOC(C)(C)C2)cc1C ZINC001306949839 1052225694 /nfs/dbraw/zinc/22/56/94/1052225694.db2.gz ZSPAGMLPKNPVOG-UHFFFAOYSA-N 1 2 365.430 2.603 20 5 FFBDLO CCOC(=O)c1cc([N+](=O)[O-])c(NCC[N@H+]2CCOC(C)(C)C2)cc1C ZINC001306949839 1052225703 /nfs/dbraw/zinc/22/57/03/1052225703.db2.gz ZSPAGMLPKNPVOG-UHFFFAOYSA-N 1 2 365.430 2.603 20 5 FFBDLO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+](CCO)Cc2ccccc2)o1 ZINC001307454982 1052308149 /nfs/dbraw/zinc/30/81/49/1052308149.db2.gz KMEBYOHBPCHBRA-UHFFFAOYSA-N 1 2 354.366 2.639 20 5 FFBDLO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+](CCO)Cc2ccccc2)o1 ZINC001307454982 1052308155 /nfs/dbraw/zinc/30/81/55/1052308155.db2.gz KMEBYOHBPCHBRA-UHFFFAOYSA-N 1 2 354.366 2.639 20 5 FFBDLO Cn1cc[nH+]c1CCC(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001347172896 1053688228 /nfs/dbraw/zinc/68/82/28/1053688228.db2.gz IWUXXZCCYLQPJD-CQSZACIVSA-N 1 2 374.294 2.820 20 5 FFBDLO O=C(N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001351217228 1056141133 /nfs/dbraw/zinc/14/11/33/1056141133.db2.gz PTRIJYHLTLMJIR-UPJWGTAASA-N 1 2 362.336 2.944 20 5 FFBDLO O=C(N1CCC(c2[nH]cc[nH+]2)CC1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848581681 1060309949 /nfs/dbraw/zinc/30/99/49/1060309949.db2.gz BSVXSZWBJPJRSY-UHFFFAOYSA-N 1 2 366.324 2.696 20 5 FFBDLO Cc1cc(NCCNC(=O)c2ccc([N+](=O)[O-])cc2F)nc(C(C)C)[nH+]1 ZINC000600365330 1060314078 /nfs/dbraw/zinc/31/40/78/1060314078.db2.gz JBUVXLATBBSCRE-UHFFFAOYSA-N 1 2 361.377 2.798 20 5 FFBDLO CC(C)c1ccc(C[NH2+]Cc2nnnn2-c2ccccc2)cc1[N+](=O)[O-] ZINC001461161076 1061231014 /nfs/dbraw/zinc/23/10/14/1061231014.db2.gz IBCRDOLPERVCLH-UHFFFAOYSA-N 1 2 352.398 2.984 20 5 FFBDLO COc1cc(C(=O)Nc2c(C)c[nH+]cc2C)c([N+](=O)[O-])cc1OC(F)F ZINC001439221838 1063117020 /nfs/dbraw/zinc/11/70/20/1063117020.db2.gz DHFWDUHSOAYOAS-UHFFFAOYSA-N 1 2 367.308 2.891 20 5 FFBDLO O=C(Oc1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001525178630 1063186179 /nfs/dbraw/zinc/18/61/79/1063186179.db2.gz ILYUYGPLNRHZFS-UHFFFAOYSA-N 1 2 367.317 2.771 20 5 FFBDLO O=C(N[C@H]1CCn2c[nH+]cc21)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001470553959 1064363713 /nfs/dbraw/zinc/36/37/13/1064363713.db2.gz DPPSBOPUJMILJD-LBPRGKRZSA-N 1 2 355.379 2.790 20 5 FFBDLO CCC(O)(CC)C(C)(C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001471324488 1064640313 /nfs/dbraw/zinc/64/03/13/1064640313.db2.gz FKTHZNGYKLPHQI-UHFFFAOYSA-N 1 2 360.414 2.840 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2[nH]c3c([nH+]2)CCCC3)c1 ZINC001472063786 1064915437 /nfs/dbraw/zinc/91/54/37/1064915437.db2.gz BARLJYCTHUXEBY-UHFFFAOYSA-N 1 2 358.398 2.590 20 5 FFBDLO O=C(NCc1[nH]c2c([nH+]1)CCCC2)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001472065281 1064916364 /nfs/dbraw/zinc/91/63/64/1064916364.db2.gz UCLOFHLVLPNAJE-UHFFFAOYSA-N 1 2 366.381 2.517 20 5 FFBDLO CC[C@@H](C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](CC)C1 ZINC001472148044 1064953484 /nfs/dbraw/zinc/95/34/84/1064953484.db2.gz AULVZRMTNMMXPI-UXLLHSPISA-N 1 2 363.458 2.704 20 5 FFBDLO CC[C@@H](C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H](CC)C1 ZINC001472148044 1064953505 /nfs/dbraw/zinc/95/35/05/1064953505.db2.gz AULVZRMTNMMXPI-UXLLHSPISA-N 1 2 363.458 2.704 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](CCCC(C)C)CC1 ZINC001474313426 1065492123 /nfs/dbraw/zinc/49/21/23/1065492123.db2.gz AKVIFAXLRSCNIO-UHFFFAOYSA-N 1 2 369.487 2.646 20 5 FFBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC001584190740 1079319585 /nfs/dbraw/zinc/31/95/85/1079319585.db2.gz NKGUZFKJDTVJKT-KGLIPLIRSA-N 1 2 363.458 2.731 20 5 FFBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC001584190740 1079319597 /nfs/dbraw/zinc/31/95/97/1079319597.db2.gz NKGUZFKJDTVJKT-KGLIPLIRSA-N 1 2 363.458 2.731 20 5 FFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1coc(C[NH+](C)C)n1 ZINC001558567327 1076034933 /nfs/dbraw/zinc/03/49/33/1076034933.db2.gz NMDMSWMBMHSJBG-UHFFFAOYSA-N 1 2 364.427 2.686 20 5 FFBDLO CC(C)C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1nc(-c2nc[nH]n2)no1 ZINC001560423931 1076272635 /nfs/dbraw/zinc/27/26/35/1076272635.db2.gz DOKVZJFLCNFPJX-CYBMUJFWSA-N 1 2 357.374 2.640 20 5 FFBDLO Cc1cc(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc[nH+]1 ZINC000010165144 204392058 /nfs/dbraw/zinc/39/20/58/204392058.db2.gz FORARHQLBKQXNH-UHFFFAOYSA-N 1 2 356.338 2.625 20 5 FFBDLO Cc1c([N+](=O)[O-])cc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000101950443 250094916 /nfs/dbraw/zinc/09/49/16/250094916.db2.gz NNZRJJVWINAYIE-LBPRGKRZSA-N 1 2 359.342 2.902 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]CC[S@](=O)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000272518775 252058031 /nfs/dbraw/zinc/05/80/31/252058031.db2.gz KRUOWEIUQDLBJN-BZQUYTCOSA-N 1 2 364.471 2.555 20 5 FFBDLO C[C@@H]1CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000272375298 252023100 /nfs/dbraw/zinc/02/31/00/252023100.db2.gz RNYWVUUCKQBHMD-DOMZBBRYSA-N 1 2 364.352 2.993 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000276367909 256094024 /nfs/dbraw/zinc/09/40/24/256094024.db2.gz CGCGLEVEOFQHRD-DYVFJYSZSA-N 1 2 373.413 2.987 20 5 FFBDLO CCOc1cc(C[N@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000276838592 256135779 /nfs/dbraw/zinc/13/57/79/256135779.db2.gz BYWGHBXPBSOSGP-WBVHZDCISA-N 1 2 370.471 2.781 20 5 FFBDLO CCOc1cc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000276838592 256135780 /nfs/dbraw/zinc/13/57/80/256135780.db2.gz BYWGHBXPBSOSGP-WBVHZDCISA-N 1 2 370.471 2.781 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000277565672 256211913 /nfs/dbraw/zinc/21/19/13/256211913.db2.gz KOIXRXDHVHVMKK-UHFFFAOYSA-N 1 2 371.393 2.688 20 5 FFBDLO Cc1c(Cc2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cccc1[N+](=O)[O-] ZINC000278057574 256271558 /nfs/dbraw/zinc/27/15/58/256271558.db2.gz MFSFOYWAJLYWDR-GDBMZVCRSA-N 1 2 358.398 2.803 20 5 FFBDLO Cc1c(Cc2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cccc1[N+](=O)[O-] ZINC000278057574 256271560 /nfs/dbraw/zinc/27/15/60/256271560.db2.gz MFSFOYWAJLYWDR-GDBMZVCRSA-N 1 2 358.398 2.803 20 5 FFBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278508320 256320337 /nfs/dbraw/zinc/32/03/37/256320337.db2.gz REZZVOOGCWRDKR-UHFFFAOYSA-N 1 2 354.292 2.866 20 5 FFBDLO Cc1nc(C[NH+]2CCN(c3ncnc4sc([N+](=O)[O-])cc43)CC2)oc1C ZINC000288097790 257147441 /nfs/dbraw/zinc/14/74/41/257147441.db2.gz WSOQUQJDMGCYTM-UHFFFAOYSA-N 1 2 374.426 2.527 20 5 FFBDLO CCOc1cc([N+](=O)[O-])c(C(=O)OCc2c[nH+]ccc2OC)cc1OC ZINC000288882076 257234696 /nfs/dbraw/zinc/23/46/96/257234696.db2.gz YPNRNBVIYDMMMY-UHFFFAOYSA-N 1 2 362.338 2.763 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000289638669 257291422 /nfs/dbraw/zinc/29/14/22/257291422.db2.gz SHWAQOBSXNXSGJ-WMZOPIPTSA-N 1 2 359.426 2.875 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000289638669 257291423 /nfs/dbraw/zinc/29/14/23/257291423.db2.gz SHWAQOBSXNXSGJ-WMZOPIPTSA-N 1 2 359.426 2.875 20 5 FFBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000289862362 257303677 /nfs/dbraw/zinc/30/36/77/257303677.db2.gz RCQRQAKJZNUUEP-UHFFFAOYSA-N 1 2 355.398 2.906 20 5 FFBDLO CCc1nnc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)s1 ZINC000289943766 257307966 /nfs/dbraw/zinc/30/79/66/257307966.db2.gz XAGKTBWADCTCCM-UHFFFAOYSA-N 1 2 358.427 2.699 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289943593 257307971 /nfs/dbraw/zinc/30/79/71/257307971.db2.gz PSNLKGRIIAETDU-IAQYHMDHSA-N 1 2 363.805 2.719 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289943593 257307972 /nfs/dbraw/zinc/30/79/72/257307972.db2.gz PSNLKGRIIAETDU-IAQYHMDHSA-N 1 2 363.805 2.719 20 5 FFBDLO C[C@@H](Nc1ccc(Br)cc1[N+](=O)[O-])[C@@H](C)[NH+]1CCOCC1 ZINC000301157678 258030344 /nfs/dbraw/zinc/03/03/44/258030344.db2.gz AQOMVFTVVYECMF-GHMZBOCLSA-N 1 2 358.236 2.878 20 5 FFBDLO COc1cc(NC[C@H](c2ccc(C)o2)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000301368427 258045648 /nfs/dbraw/zinc/04/56/48/258045648.db2.gz RJSNAMCKBSRWHR-MRXNPFEDSA-N 1 2 361.398 2.990 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CCN(c3cccc[nH+]3)CC2)c(OC(F)F)c1 ZINC000302036873 258083476 /nfs/dbraw/zinc/08/34/76/258083476.db2.gz FVNXYBGRKBOZDL-UHFFFAOYSA-N 1 2 350.325 2.918 20 5 FFBDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000302139328 258090415 /nfs/dbraw/zinc/09/04/15/258090415.db2.gz CZDVFYBAOBIQRM-INIZCTEOSA-N 1 2 363.368 2.936 20 5 FFBDLO Cc1cccn2cc(CNc3ccc([N+](=O)[O-])cc3S(C)(=O)=O)[nH+]c12 ZINC000302672131 258107780 /nfs/dbraw/zinc/10/77/80/258107780.db2.gz RYDDLUHIHGXNDM-UHFFFAOYSA-N 1 2 360.395 2.567 20 5 FFBDLO C[C@H]1C[NH+]=C(N2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)CC2)S1 ZINC000301512143 258053279 /nfs/dbraw/zinc/05/32/79/258053279.db2.gz FLKREGIMQPDHRK-LBPRGKRZSA-N 1 2 357.439 2.756 20 5 FFBDLO CCn1cnnc1CCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301553122 258055271 /nfs/dbraw/zinc/05/52/71/258055271.db2.gz REBXBGLXHSBUKP-UHFFFAOYSA-N 1 2 353.386 2.626 20 5 FFBDLO Cc1nc(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000301645518 258060272 /nfs/dbraw/zinc/06/02/72/258060272.db2.gz NNNGOLMJUOPASW-STQMWFEESA-N 1 2 357.414 2.919 20 5 FFBDLO Cc1cc(NCCn2cc([N+](=O)[O-])cn2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301721243 258064984 /nfs/dbraw/zinc/06/49/84/258064984.db2.gz MUFJXFLYMMVIHU-UHFFFAOYSA-N 1 2 369.341 2.577 20 5 FFBDLO Cc1cccc2[nH+]c(CNc3sc(S(C)(=O)=O)cc3[N+](=O)[O-])cn21 ZINC000301943484 258077405 /nfs/dbraw/zinc/07/74/05/258077405.db2.gz YEVUPNJUAONNMN-UHFFFAOYSA-N 1 2 366.424 2.628 20 5 FFBDLO C[NH+](C)[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)c1c(F)cccc1F ZINC000301994541 258081175 /nfs/dbraw/zinc/08/11/75/258081175.db2.gz NYDOKEWTVSSWFZ-GFCCVEGCSA-N 1 2 362.340 2.631 20 5 FFBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCCC[C@@H]2c2[nH]cc[nH+]2)s1 ZINC000302017823 258082086 /nfs/dbraw/zinc/08/20/86/258082086.db2.gz GHZOXVNLPAPOAZ-SECBINFHSA-N 1 2 356.429 2.515 20 5 FFBDLO CC[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000140469813 508805581 /nfs/dbraw/zinc/80/55/81/508805581.db2.gz FXXYBBBXQKBWTN-LLVKDONJSA-N 1 2 353.176 2.962 20 5 FFBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000032687794 506278821 /nfs/dbraw/zinc/27/88/21/506278821.db2.gz RHUUCOCWSNSJJC-GFCCVEGCSA-N 1 2 360.439 2.853 20 5 FFBDLO Cc1noc(C2CC[NH+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)n1 ZINC000053641346 506421979 /nfs/dbraw/zinc/42/19/79/506421979.db2.gz ZGFKHBJAEVQJQR-UHFFFAOYSA-N 1 2 370.369 2.716 20 5 FFBDLO O=c1[nH]cnc2cc(NCc3ccc(-n4cc[nH+]c4)cc3)c([N+](=O)[O-])cc21 ZINC000066372355 506497739 /nfs/dbraw/zinc/49/77/39/506497739.db2.gz UZUIRDNGZPIIOW-UHFFFAOYSA-N 1 2 362.349 2.629 20 5 FFBDLO Cc1c(NC(=O)N2CC[NH+](Cc3ccncc3)CC2)cccc1[N+](=O)[O-] ZINC000043347885 506737611 /nfs/dbraw/zinc/73/76/11/506737611.db2.gz UUFKMLJGMKBHMT-UHFFFAOYSA-N 1 2 355.398 2.648 20 5 FFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000043752732 506776323 /nfs/dbraw/zinc/77/63/23/506776323.db2.gz VRNBZCLOQRIOLX-UHFFFAOYSA-N 1 2 365.393 2.516 20 5 FFBDLO O=C1[C@@H]([NH+]2CCN(c3ccccc3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000067374470 506851125 /nfs/dbraw/zinc/85/11/25/506851125.db2.gz AUAGYEBEZGROFK-IBGZPJMESA-N 1 2 366.421 2.522 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000023101443 507327693 /nfs/dbraw/zinc/32/76/93/507327693.db2.gz DVTQZHSSWSXOPR-UHFFFAOYSA-N 1 2 356.382 2.529 20 5 FFBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)c1nc2sccn2c1[N+](=O)[O-] ZINC000057839651 507339932 /nfs/dbraw/zinc/33/99/32/507339932.db2.gz UWEKXEZCXMHATF-UHFFFAOYSA-N 1 2 360.321 2.699 20 5 FFBDLO CN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047743860 507387728 /nfs/dbraw/zinc/38/77/28/507387728.db2.gz SFEGHKFMEJYINX-LJQANCHMSA-N 1 2 368.437 2.546 20 5 FFBDLO Cc1cccc(C)c1NC(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047911131 507412318 /nfs/dbraw/zinc/41/23/18/507412318.db2.gz WXPSDFGEILLTLZ-UHFFFAOYSA-N 1 2 368.437 2.972 20 5 FFBDLO COc1ccc(Cl)cc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000026713452 507604249 /nfs/dbraw/zinc/60/42/49/507604249.db2.gz SQAHKOCYTRIBEG-UHFFFAOYSA-N 1 2 362.817 2.974 20 5 FFBDLO C[C@@H]1CN(c2ccc(CNc3nc4sccn4c3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000052245620 507803829 /nfs/dbraw/zinc/80/38/29/507803829.db2.gz UXEQBVIVIFVUEB-LLVKDONJSA-N 1 2 374.426 2.536 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccc(Cl)cc1 ZINC000052400250 507808170 /nfs/dbraw/zinc/80/81/70/507808170.db2.gz KLHMXHDGTHYBJD-CQSZACIVSA-N 1 2 359.773 2.829 20 5 FFBDLO O=C1[C@@H]([N@@H+]2CCOC3(CCCCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000072717074 507846155 /nfs/dbraw/zinc/84/61/55/507846155.db2.gz BNPUMSSJYALSEW-KRWDZBQOSA-N 1 2 359.426 2.735 20 5 FFBDLO O=C1[C@@H]([N@H+]2CCOC3(CCCCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000072717074 507846157 /nfs/dbraw/zinc/84/61/57/507846157.db2.gz BNPUMSSJYALSEW-KRWDZBQOSA-N 1 2 359.426 2.735 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000072771666 507851508 /nfs/dbraw/zinc/85/15/08/507851508.db2.gz QKYDHNZTSNOZFD-SRVKXCTJSA-N 1 2 353.444 2.756 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCC(c4nc[nH]n4)CC3)co2)cc1 ZINC000089909103 507881799 /nfs/dbraw/zinc/88/17/99/507881799.db2.gz YVELFMWIWOKKJT-UHFFFAOYSA-N 1 2 354.370 2.748 20 5 FFBDLO COc1ccc(F)cc1C[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC000108349473 507889587 /nfs/dbraw/zinc/88/95/87/507889587.db2.gz LFLLNFVMFLGKJI-UHFFFAOYSA-N 1 2 360.389 2.768 20 5 FFBDLO Cc1ccsc1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000091978394 508028793 /nfs/dbraw/zinc/02/87/93/508028793.db2.gz YKGVCDINVBJSGW-UHFFFAOYSA-N 1 2 351.453 2.984 20 5 FFBDLO CCc1nn(C)c(Cl)c1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000110577389 508034832 /nfs/dbraw/zinc/03/48/32/508034832.db2.gz BUIXBQXAIHLQTP-UHFFFAOYSA-N 1 2 363.849 2.866 20 5 FFBDLO CC1CCN(C(=O)C2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)CC1 ZINC000092144474 508046089 /nfs/dbraw/zinc/04/60/89/508046089.db2.gz LVOPRKDZJKNQHL-UHFFFAOYSA-N 1 2 361.442 2.771 20 5 FFBDLO O=C(c1ccsc1)N1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000092149025 508046691 /nfs/dbraw/zinc/04/66/91/508046691.db2.gz BUJXKVKWVYTEIU-UHFFFAOYSA-N 1 2 361.423 2.710 20 5 FFBDLO O=C(c1ccsc1)N1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000092149025 508046692 /nfs/dbraw/zinc/04/66/92/508046692.db2.gz BUJXKVKWVYTEIU-UHFFFAOYSA-N 1 2 361.423 2.710 20 5 FFBDLO CC(=O)NC1CC[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000092669176 508092871 /nfs/dbraw/zinc/09/28/71/508092871.db2.gz PFEVLOZTZXDWSA-UHFFFAOYSA-N 1 2 360.439 2.819 20 5 FFBDLO COC(=O)C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000093458463 508145791 /nfs/dbraw/zinc/14/57/91/508145791.db2.gz YRWFVDOZQKEUHJ-AWEZNQCLSA-N 1 2 360.366 2.619 20 5 FFBDLO COC(=O)C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000093458463 508145792 /nfs/dbraw/zinc/14/57/92/508145792.db2.gz YRWFVDOZQKEUHJ-AWEZNQCLSA-N 1 2 360.366 2.619 20 5 FFBDLO COc1ccccc1C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000076227514 508173393 /nfs/dbraw/zinc/17/33/93/508173393.db2.gz ZMAGCVPHDUGMHZ-UHFFFAOYSA-N 1 2 355.394 2.561 20 5 FFBDLO COc1cc(C[N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)ccc1O ZINC000104195228 508329334 /nfs/dbraw/zinc/32/93/34/508329334.db2.gz SSBCYZZRIOGKID-UHFFFAOYSA-N 1 2 370.365 2.991 20 5 FFBDLO COc1cc(C[N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)ccc1O ZINC000104195228 508329338 /nfs/dbraw/zinc/32/93/38/508329338.db2.gz SSBCYZZRIOGKID-UHFFFAOYSA-N 1 2 370.365 2.991 20 5 FFBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000104875344 508350660 /nfs/dbraw/zinc/35/06/60/508350660.db2.gz RRXZYQGUQMWBHC-UHFFFAOYSA-N 1 2 359.729 2.787 20 5 FFBDLO NC(=O)[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000105401345 508372730 /nfs/dbraw/zinc/37/27/30/508372730.db2.gz CQGNFDPPUCWATM-CQSZACIVSA-N 1 2 364.199 2.674 20 5 FFBDLO O=C(C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N1CCCc2ccccc21 ZINC000088605208 508378381 /nfs/dbraw/zinc/37/83/81/508378381.db2.gz IGJOKNFWQOXHKW-UHFFFAOYSA-N 1 2 351.406 2.932 20 5 FFBDLO O=C(C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N1CCCc2ccccc21 ZINC000088605208 508378382 /nfs/dbraw/zinc/37/83/82/508378382.db2.gz IGJOKNFWQOXHKW-UHFFFAOYSA-N 1 2 351.406 2.932 20 5 FFBDLO Cc1ccccc1CCNC(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605592 508378436 /nfs/dbraw/zinc/37/84/36/508378436.db2.gz YMBCPBYACSKGQJ-UHFFFAOYSA-N 1 2 353.422 2.620 20 5 FFBDLO Cc1ccccc1CCNC(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605592 508378439 /nfs/dbraw/zinc/37/84/39/508378439.db2.gz YMBCPBYACSKGQJ-UHFFFAOYSA-N 1 2 353.422 2.620 20 5 FFBDLO O=C(NC1CC1)[C@@H](c1ccccc1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153115645 508548903 /nfs/dbraw/zinc/54/89/03/508548903.db2.gz YTZRCNPSXDJPIB-LJQANCHMSA-N 1 2 351.406 2.973 20 5 FFBDLO O=C(NC1CC1)[C@@H](c1ccccc1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153115645 508548907 /nfs/dbraw/zinc/54/89/07/508548907.db2.gz YTZRCNPSXDJPIB-LJQANCHMSA-N 1 2 351.406 2.973 20 5 FFBDLO C[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)Cn1cc[nH+]c1 ZINC000153601844 508605300 /nfs/dbraw/zinc/60/53/00/508605300.db2.gz VSQNDKSEMHRGSC-INIZCTEOSA-N 1 2 374.444 2.804 20 5 FFBDLO O=C1NCCCN1C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000135447102 508605554 /nfs/dbraw/zinc/60/55/54/508605554.db2.gz VNGQBVTYUPKFQN-UHFFFAOYSA-N 1 2 352.822 2.628 20 5 FFBDLO COc1cc(C[NH+]2CCN(c3ccc(O)cc3)CC2)c([N+](=O)[O-])cc1OC ZINC000157904006 508629455 /nfs/dbraw/zinc/62/94/55/508629455.db2.gz BJLMOZRKXPWILT-UHFFFAOYSA-N 1 2 373.409 2.640 20 5 FFBDLO O=C1[C@@H]([N@@H+]2CCc3cccc(F)c3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000157903344 508629846 /nfs/dbraw/zinc/62/98/46/508629846.db2.gz YIRUAOMUFDRRJN-SFHVURJKSA-N 1 2 355.369 2.898 20 5 FFBDLO O=C1[C@@H]([N@H+]2CCc3cccc(F)c3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000157903344 508629849 /nfs/dbraw/zinc/62/98/49/508629849.db2.gz YIRUAOMUFDRRJN-SFHVURJKSA-N 1 2 355.369 2.898 20 5 FFBDLO O=C(CC[N@@H+]1CCO[C@@H](c2ccco2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128873025 508654261 /nfs/dbraw/zinc/65/42/61/508654261.db2.gz BLFOARFIUIOAOL-MRXNPFEDSA-N 1 2 363.345 2.729 20 5 FFBDLO O=C(CC[N@H+]1CCO[C@@H](c2ccco2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128873025 508654265 /nfs/dbraw/zinc/65/42/65/508654265.db2.gz BLFOARFIUIOAOL-MRXNPFEDSA-N 1 2 363.345 2.729 20 5 FFBDLO C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c2cccnc2O1 ZINC000158211777 508671922 /nfs/dbraw/zinc/67/19/22/508671922.db2.gz NUXAZAJTMPWZJU-LBPRGKRZSA-N 1 2 365.349 2.603 20 5 FFBDLO CC(C)C[C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000136236576 508680810 /nfs/dbraw/zinc/68/08/10/508680810.db2.gz SWNSXZKIUZZOKT-ZDUSSCGKSA-N 1 2 369.849 2.725 20 5 FFBDLO Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1C ZINC000118866101 508688083 /nfs/dbraw/zinc/68/80/83/508688083.db2.gz YCJOCFHZQLWYTD-OAHLLOKOSA-N 1 2 369.425 2.732 20 5 FFBDLO Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1C ZINC000118866101 508688084 /nfs/dbraw/zinc/68/80/84/508688084.db2.gz YCJOCFHZQLWYTD-OAHLLOKOSA-N 1 2 369.425 2.732 20 5 FFBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000137231656 508746401 /nfs/dbraw/zinc/74/64/01/508746401.db2.gz SUODZQWTHFNLFF-INIZCTEOSA-N 1 2 371.441 2.535 20 5 FFBDLO CC(C)Cn1cc[nH+]c1CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000130999786 508875091 /nfs/dbraw/zinc/87/50/91/508875091.db2.gz QQSWQPZTULYTIV-UHFFFAOYSA-N 1 2 368.397 2.563 20 5 FFBDLO Cc1ccccc1CN(C)C(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131326213 508916230 /nfs/dbraw/zinc/91/62/30/508916230.db2.gz CBNUFZGVXUBSBG-UHFFFAOYSA-N 1 2 353.422 2.920 20 5 FFBDLO Cc1ccccc1CN(C)C(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131326213 508916232 /nfs/dbraw/zinc/91/62/32/508916232.db2.gz CBNUFZGVXUBSBG-UHFFFAOYSA-N 1 2 353.422 2.920 20 5 FFBDLO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000160002127 508923758 /nfs/dbraw/zinc/92/37/58/508923758.db2.gz HGIBJGCOMKZESA-ZDUSSCGKSA-N 1 2 363.805 2.538 20 5 FFBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000373614189 512426470 /nfs/dbraw/zinc/42/64/70/512426470.db2.gz WNZZQVYVXMTPCO-UHFFFAOYSA-N 1 2 354.370 2.827 20 5 FFBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000126250460 509074683 /nfs/dbraw/zinc/07/46/83/509074683.db2.gz OAFNQQKOLLUCLU-UHFFFAOYSA-N 1 2 369.421 2.917 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000121020323 509111469 /nfs/dbraw/zinc/11/14/69/509111469.db2.gz UJDVVZVBEQFURR-KRWDZBQOSA-N 1 2 359.382 2.898 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000121020323 509111472 /nfs/dbraw/zinc/11/14/72/509111472.db2.gz UJDVVZVBEQFURR-KRWDZBQOSA-N 1 2 359.382 2.898 20 5 FFBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161449311 509116645 /nfs/dbraw/zinc/11/66/45/509116645.db2.gz IXHSDOPLKWKGJD-KGLIPLIRSA-N 1 2 372.450 2.866 20 5 FFBDLO CN(C)c1[nH+]cccc1CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000163477307 509379397 /nfs/dbraw/zinc/37/93/97/509379397.db2.gz QTUWBUUZTHZVHZ-UHFFFAOYSA-N 1 2 369.425 2.930 20 5 FFBDLO CCC(CC)[C@@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000173142503 509415930 /nfs/dbraw/zinc/41/59/30/509415930.db2.gz KFFXENRVJYKRET-KSSFIOAISA-N 1 2 363.458 2.909 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1C ZINC000267595735 509559029 /nfs/dbraw/zinc/55/90/29/509559029.db2.gz VYCADFDNPLUXRT-UHFFFAOYSA-N 1 2 364.427 2.503 20 5 FFBDLO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000264812130 509718329 /nfs/dbraw/zinc/71/83/29/509718329.db2.gz GFNADXFBMZQUBW-UHFFFAOYSA-N 1 2 367.365 2.592 20 5 FFBDLO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000170763277 509764731 /nfs/dbraw/zinc/76/47/31/509764731.db2.gz WHERKMPZQVFSTA-ACJLOTCBSA-N 1 2 355.394 2.656 20 5 FFBDLO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000170763277 509764738 /nfs/dbraw/zinc/76/47/38/509764738.db2.gz WHERKMPZQVFSTA-ACJLOTCBSA-N 1 2 355.394 2.656 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1cccnc1)C1CC1 ZINC000180270630 509841486 /nfs/dbraw/zinc/84/14/86/509841486.db2.gz KNYRKLDMKJWSTH-UHFFFAOYSA-N 1 2 356.382 2.602 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1cccnc1)C1CC1 ZINC000180270630 509841494 /nfs/dbraw/zinc/84/14/94/509841494.db2.gz KNYRKLDMKJWSTH-UHFFFAOYSA-N 1 2 356.382 2.602 20 5 FFBDLO COc1ccc(CNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000268355826 509886047 /nfs/dbraw/zinc/88/60/47/509886047.db2.gz RVYDNYMYMTWHEM-CZUORRHYSA-N 1 2 373.413 2.593 20 5 FFBDLO COc1ccc(C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000265207105 509921628 /nfs/dbraw/zinc/92/16/28/509921628.db2.gz FCLXLSGVHJYMCF-CQSZACIVSA-N 1 2 370.409 2.517 20 5 FFBDLO COC(=O)c1cc(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc(C)c1[N+](=O)[O-] ZINC000268502592 509973729 /nfs/dbraw/zinc/97/37/29/509973729.db2.gz SQQZNHJPOVFMOS-MLGOLLRUSA-N 1 2 358.398 2.974 20 5 FFBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CCO[C@H]2CCCC[C@H]21 ZINC000245737739 510117464 /nfs/dbraw/zinc/11/74/64/510117464.db2.gz DKACCRIUQOPONQ-MOPGFXCFSA-N 1 2 373.453 2.729 20 5 FFBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CCO[C@H]2CCCC[C@H]21 ZINC000245737739 510117474 /nfs/dbraw/zinc/11/74/74/510117474.db2.gz DKACCRIUQOPONQ-MOPGFXCFSA-N 1 2 373.453 2.729 20 5 FFBDLO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCCc3[nH]cc[nH+]3)cc2[N+](=O)[O-])C1 ZINC000174745396 510288683 /nfs/dbraw/zinc/28/86/83/510288683.db2.gz BYHQABVTWVAMIK-ZIAGYGMSSA-N 1 2 371.441 2.773 20 5 FFBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000184427193 510318786 /nfs/dbraw/zinc/31/87/86/510318786.db2.gz GFAUGECBNUEGFS-UHFFFAOYSA-N 1 2 370.409 2.570 20 5 FFBDLO COCc1cc([N+](=O)[O-])ccc1NCc1ccc[nH+]c1N1CCOCC1 ZINC000266038917 510374775 /nfs/dbraw/zinc/37/47/75/510374775.db2.gz UHEGWUPUJBMEJL-UHFFFAOYSA-N 1 2 358.398 2.585 20 5 FFBDLO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000178024202 510382136 /nfs/dbraw/zinc/38/21/36/510382136.db2.gz OLKQTHFLBIBWQC-UHFFFAOYSA-N 1 2 372.400 2.761 20 5 FFBDLO CCc1ccc([C@H](COC)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)o1 ZINC000184845447 510542305 /nfs/dbraw/zinc/54/23/05/510542305.db2.gz ZKFPLKBJVJNFHB-IRXDYDNUSA-N 1 2 373.409 2.833 20 5 FFBDLO CCOc1cc(C(=O)NCc2ccn3cc[nH+]c3c2)c([N+](=O)[O-])cc1OC ZINC000178351484 510560692 /nfs/dbraw/zinc/56/06/92/510560692.db2.gz JGPTXODAGDEYCA-UHFFFAOYSA-N 1 2 370.365 2.580 20 5 FFBDLO COc1cc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc([N+](=O)[O-])c1C ZINC000188044675 510563941 /nfs/dbraw/zinc/56/39/41/510563941.db2.gz XADBIAVJQVQNKO-UHFFFAOYSA-N 1 2 370.409 2.837 20 5 FFBDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)C2 ZINC000364530895 510918832 /nfs/dbraw/zinc/91/88/32/510918832.db2.gz OPUDYUUJXARRLU-AWEZNQCLSA-N 1 2 356.426 2.905 20 5 FFBDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000364530895 510918834 /nfs/dbraw/zinc/91/88/34/510918834.db2.gz OPUDYUUJXARRLU-AWEZNQCLSA-N 1 2 356.426 2.905 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCOCC12CCCC2 ZINC000270629375 510930706 /nfs/dbraw/zinc/93/07/06/510930706.db2.gz FMJUCIRDLHCULU-UHFFFAOYSA-N 1 2 356.382 2.566 20 5 FFBDLO C[C@H](c1nnnn1-c1ccccc1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282542328 511019769 /nfs/dbraw/zinc/01/97/69/511019769.db2.gz WERPOBFBGNFQSW-CQSZACIVSA-N 1 2 352.398 2.806 20 5 FFBDLO C[C@H](c1nnnn1-c1ccccc1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282542328 511019773 /nfs/dbraw/zinc/01/97/73/511019773.db2.gz WERPOBFBGNFQSW-CQSZACIVSA-N 1 2 352.398 2.806 20 5 FFBDLO COc1ccc(C[N@H+](CCNC(C)=O)Cc2ccsc2)cc1[N+](=O)[O-] ZINC000282587654 511036530 /nfs/dbraw/zinc/03/65/30/511036530.db2.gz WQDYPSSDVYXOND-UHFFFAOYSA-N 1 2 363.439 2.803 20 5 FFBDLO COc1ccc(C[N@@H+](CCNC(C)=O)Cc2ccsc2)cc1[N+](=O)[O-] ZINC000282587654 511036532 /nfs/dbraw/zinc/03/65/32/511036532.db2.gz WQDYPSSDVYXOND-UHFFFAOYSA-N 1 2 363.439 2.803 20 5 FFBDLO CSC[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000294586018 511112538 /nfs/dbraw/zinc/11/25/38/511112538.db2.gz HXJQUCJFPSKIJC-ZDUSSCGKSA-N 1 2 360.439 2.996 20 5 FFBDLO Cc1cc(C[NH+]2CCN(c3c4ccccc4ncc3[N+](=O)[O-])CC2)on1 ZINC000291711386 511306528 /nfs/dbraw/zinc/30/65/28/511306528.db2.gz VPKDKOSURVCQSF-UHFFFAOYSA-N 1 2 353.382 2.762 20 5 FFBDLO C[C@H]1C[C@@H](CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000273553594 511530706 /nfs/dbraw/zinc/53/07/06/511530706.db2.gz MMGNOLVODZAIAJ-KBPBESRZSA-N 1 2 358.398 2.716 20 5 FFBDLO CCCCc1[nH]c2ccc(NC(=O)Cn3cc([N+](=O)[O-])nc3C)cc2[nH+]1 ZINC000299281352 511575808 /nfs/dbraw/zinc/57/58/08/511575808.db2.gz CJCIKQZOXANOIL-UHFFFAOYSA-N 1 2 356.386 2.957 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000284618460 511796218 /nfs/dbraw/zinc/79/62/18/511796218.db2.gz AWFAWIMBKDYJMP-KSZLIROESA-N 1 2 364.442 2.744 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000284618460 511796222 /nfs/dbraw/zinc/79/62/22/511796222.db2.gz AWFAWIMBKDYJMP-KSZLIROESA-N 1 2 364.442 2.744 20 5 FFBDLO C[N@@H+](Cc1nc(-c2cccs2)no1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000285153583 512019901 /nfs/dbraw/zinc/01/99/01/512019901.db2.gz AAJAUKRYCQBRIU-ZDUSSCGKSA-N 1 2 360.395 2.872 20 5 FFBDLO C[N@H+](Cc1nc(-c2cccs2)no1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000285153583 512019911 /nfs/dbraw/zinc/01/99/11/512019911.db2.gz AAJAUKRYCQBRIU-ZDUSSCGKSA-N 1 2 360.395 2.872 20 5 FFBDLO C[C@H](c1nnnn1C1CCCCC1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369676393 512549138 /nfs/dbraw/zinc/54/91/38/512549138.db2.gz OXRFYGFAUUUXCM-CYBMUJFWSA-N 1 2 374.449 2.681 20 5 FFBDLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411373981 512603720 /nfs/dbraw/zinc/60/37/20/512603720.db2.gz KHPUICXTOXYXNH-GOSISDBHSA-N 1 2 371.393 2.770 20 5 FFBDLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411373981 512603724 /nfs/dbraw/zinc/60/37/24/512603724.db2.gz KHPUICXTOXYXNH-GOSISDBHSA-N 1 2 371.393 2.770 20 5 FFBDLO Cc1cc(C)c(NC(=O)C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C)[nH+]1 ZINC000411570502 512695389 /nfs/dbraw/zinc/69/53/89/512695389.db2.gz NXWPRACBRFQVDH-LBPRGKRZSA-N 1 2 356.382 2.731 20 5 FFBDLO C[N@@H+]1CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)c2ccccc2C1 ZINC000378487600 512786544 /nfs/dbraw/zinc/78/65/44/512786544.db2.gz IKJUNFCNHSZQRC-UHFFFAOYSA-N 1 2 369.406 2.692 20 5 FFBDLO C[N@H+]1CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)c2ccccc2C1 ZINC000378487600 512786550 /nfs/dbraw/zinc/78/65/50/512786550.db2.gz IKJUNFCNHSZQRC-UHFFFAOYSA-N 1 2 369.406 2.692 20 5 FFBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000374383066 512805542 /nfs/dbraw/zinc/80/55/42/512805542.db2.gz CRZOAPRYRVAWQK-LPHOPBHVSA-N 1 2 368.437 2.732 20 5 FFBDLO CO[C@H](C)c1nc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cs1 ZINC000376476136 512835613 /nfs/dbraw/zinc/83/56/13/512835613.db2.gz FLCUORPFPKZLOT-LLVKDONJSA-N 1 2 351.432 2.792 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000446085445 513183023 /nfs/dbraw/zinc/18/30/23/513183023.db2.gz WHZZADCALZVSSB-HZMBPMFUSA-N 1 2 355.822 2.668 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000446085445 513183028 /nfs/dbraw/zinc/18/30/28/513183028.db2.gz WHZZADCALZVSSB-HZMBPMFUSA-N 1 2 355.822 2.668 20 5 FFBDLO C[C@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)Cc2ccccc2O1 ZINC000429122786 513283941 /nfs/dbraw/zinc/28/39/41/513283941.db2.gz MXEITAXFQXETTM-AWEZNQCLSA-N 1 2 355.394 2.841 20 5 FFBDLO C[C@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)Cc2ccccc2O1 ZINC000429122786 513283947 /nfs/dbraw/zinc/28/39/47/513283947.db2.gz MXEITAXFQXETTM-AWEZNQCLSA-N 1 2 355.394 2.841 20 5 FFBDLO CCO[C@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000450745657 513322435 /nfs/dbraw/zinc/32/24/35/513322435.db2.gz POMBGWTVKNMJLX-KXBFYZLASA-N 1 2 363.458 2.678 20 5 FFBDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)[NH+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000429361880 513352967 /nfs/dbraw/zinc/35/29/67/513352967.db2.gz LDJRVCOKKLLTTH-HUUCEWRRSA-N 1 2 363.458 2.941 20 5 FFBDLO CCc1cc(N[C@H](C)Cc2cnn(C)c2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450841801 513363411 /nfs/dbraw/zinc/36/34/11/513363411.db2.gz LKSZPZXJRXYLCX-CYBMUJFWSA-N 1 2 366.425 2.813 20 5 FFBDLO COc1ccc(F)cc1C[NH+]1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413027479 513392998 /nfs/dbraw/zinc/39/29/98/513392998.db2.gz MDJJHFBMRSNBJD-UHFFFAOYSA-N 1 2 364.352 2.599 20 5 FFBDLO Cc1cc(C)c(CNc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])c[nH+]1 ZINC000450904107 513393412 /nfs/dbraw/zinc/39/34/12/513393412.db2.gz DVRAGZAEDXSZKP-UHFFFAOYSA-N 1 2 370.409 2.691 20 5 FFBDLO CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425402145 513547164 /nfs/dbraw/zinc/54/71/64/513547164.db2.gz QZGOQKYJNPTSKX-LBPRGKRZSA-N 1 2 370.247 2.705 20 5 FFBDLO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425402145 513547169 /nfs/dbraw/zinc/54/71/69/513547169.db2.gz QZGOQKYJNPTSKX-LBPRGKRZSA-N 1 2 370.247 2.705 20 5 FFBDLO Cn1nccc1N1CCC[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413257592 513552691 /nfs/dbraw/zinc/55/26/91/513552691.db2.gz CROZBZKZZDRVBB-AWEZNQCLSA-N 1 2 352.398 2.957 20 5 FFBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCc3c(Cl)c(Cl)ccc3C2)c1 ZINC000441475201 513576317 /nfs/dbraw/zinc/57/63/17/513576317.db2.gz NEDGQCOSPJHPAE-GFCCVEGCSA-N 1 2 371.224 2.517 20 5 FFBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCc3c(Cl)c(Cl)ccc3C2)c1 ZINC000441475201 513576323 /nfs/dbraw/zinc/57/63/23/513576323.db2.gz NEDGQCOSPJHPAE-GFCCVEGCSA-N 1 2 371.224 2.517 20 5 FFBDLO CO[C@@H](CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])C(C)(C)C ZINC000447808835 513576729 /nfs/dbraw/zinc/57/67/29/513576729.db2.gz WROHGHJMBGNGME-KRWDZBQOSA-N 1 2 351.447 2.900 20 5 FFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425514833 513614080 /nfs/dbraw/zinc/61/40/80/513614080.db2.gz QHPNFTHAQUHWNX-CYBMUJFWSA-N 1 2 366.219 2.786 20 5 FFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425514833 513614088 /nfs/dbraw/zinc/61/40/88/513614088.db2.gz QHPNFTHAQUHWNX-CYBMUJFWSA-N 1 2 366.219 2.786 20 5 FFBDLO Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)[NH+]2CCCC2)o1 ZINC000436871075 514016527 /nfs/dbraw/zinc/01/65/27/514016527.db2.gz RXGYPVXKBWWTDK-OAHLLOKOSA-N 1 2 359.382 2.769 20 5 FFBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000436929101 514038454 /nfs/dbraw/zinc/03/84/54/514038454.db2.gz UNOLPHBTBWANDD-GDBMZVCRSA-N 1 2 369.421 2.941 20 5 FFBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000436929101 514038458 /nfs/dbraw/zinc/03/84/58/514038458.db2.gz UNOLPHBTBWANDD-GDBMZVCRSA-N 1 2 369.421 2.941 20 5 FFBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(S(C)(=O)=O)s1 ZINC000414451945 514125606 /nfs/dbraw/zinc/12/56/06/514125606.db2.gz OOUUVZIFVVEYSA-UHFFFAOYSA-N 1 2 354.453 2.734 20 5 FFBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(S(C)(=O)=O)s1 ZINC000414451945 514125610 /nfs/dbraw/zinc/12/56/10/514125610.db2.gz OOUUVZIFVVEYSA-UHFFFAOYSA-N 1 2 354.453 2.734 20 5 FFBDLO O=C(NCCCC1CCOCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000452209282 514246638 /nfs/dbraw/zinc/24/66/38/514246638.db2.gz REPZALWRSBDHFV-UHFFFAOYSA-N 1 2 358.398 2.717 20 5 FFBDLO O=C(NCC(F)F)[C@@H]1CCCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449600377 514267594 /nfs/dbraw/zinc/26/75/94/514267594.db2.gz JQZLSFPEVNEQST-ZKKXHLJNSA-N 1 2 353.369 2.844 20 5 FFBDLO O=C(NCC(F)F)[C@@H]1CCCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449600377 514267602 /nfs/dbraw/zinc/26/76/02/514267602.db2.gz JQZLSFPEVNEQST-ZKKXHLJNSA-N 1 2 353.369 2.844 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(N3CC[C@@H](Oc4cc[nH+]cc4)C3)n2)cc1 ZINC000432940598 514331186 /nfs/dbraw/zinc/33/11/86/514331186.db2.gz YMZRYIZDVWVZBP-OAHLLOKOSA-N 1 2 353.338 2.698 20 5 FFBDLO CC1(C)CCC[C@@](O)(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000438487153 514388321 /nfs/dbraw/zinc/38/83/21/514388321.db2.gz IRVACDKYITXVEG-IBGZPJMESA-N 1 2 372.425 2.842 20 5 FFBDLO O=C(NCCC[C@@H]1CCCC[C@@H]1O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000433262624 514436933 /nfs/dbraw/zinc/43/69/33/514436933.db2.gz QSKISICZYHPJSU-KSSFIOAISA-N 1 2 372.425 2.842 20 5 FFBDLO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC(OC(C)(C)C)C1 ZINC000421018017 514441189 /nfs/dbraw/zinc/44/11/89/514441189.db2.gz WCLVXKABXOWNBG-UHFFFAOYSA-N 1 2 370.471 2.646 20 5 FFBDLO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC(OC(C)(C)C)C1 ZINC000421018017 514441191 /nfs/dbraw/zinc/44/11/91/514441191.db2.gz WCLVXKABXOWNBG-UHFFFAOYSA-N 1 2 370.471 2.646 20 5 FFBDLO CCn1[nH]c(=NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)cc1C1CC1 ZINC000450061755 514485066 /nfs/dbraw/zinc/48/50/66/514485066.db2.gz QXQSVOMVMCERLD-UHFFFAOYSA-N 1 2 366.381 2.549 20 5 FFBDLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452841427 514512680 /nfs/dbraw/zinc/51/26/80/514512680.db2.gz HDKGVEZKGOGEGX-HOTGVXAUSA-N 1 2 354.410 2.760 20 5 FFBDLO O=C(N[C@H]1CCOC2(CCC2)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450160572 514516003 /nfs/dbraw/zinc/51/60/03/514516003.db2.gz VWNGMATYFPNGNU-AWEZNQCLSA-N 1 2 356.382 2.612 20 5 FFBDLO CN(C)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c[nH+]1 ZINC000497909741 514679076 /nfs/dbraw/zinc/67/90/76/514679076.db2.gz SEINDKOGGMHHBM-UHFFFAOYSA-N 1 2 351.366 2.534 20 5 FFBDLO C=Cn1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c(OCC)c3)CC2)cn1 ZINC000475484954 514682729 /nfs/dbraw/zinc/68/27/29/514682729.db2.gz FKDWSKIXFKIMGR-UHFFFAOYSA-N 1 2 357.414 2.613 20 5 FFBDLO COc1ccc2[nH+]c(C)nc(NCc3ccc(OC)c([N+](=O)[O-])c3)c2c1 ZINC000508224923 514712659 /nfs/dbraw/zinc/71/26/59/514712659.db2.gz VVZTZRBRUDBSKE-UHFFFAOYSA-N 1 2 354.366 2.898 20 5 FFBDLO COC(=O)c1cccc2c1CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C2 ZINC000453597801 514713535 /nfs/dbraw/zinc/71/35/35/514713535.db2.gz MYLJXTKZZWTGNH-UHFFFAOYSA-N 1 2 356.378 2.948 20 5 FFBDLO COC(=O)c1cccc2c1CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C2 ZINC000453597801 514713543 /nfs/dbraw/zinc/71/35/43/514713543.db2.gz MYLJXTKZZWTGNH-UHFFFAOYSA-N 1 2 356.378 2.948 20 5 FFBDLO CCOc1cccc(N2CC[NH+](Cc3ccc([N+](=O)[O-])c(OC)c3)CC2)n1 ZINC000489163951 514733823 /nfs/dbraw/zinc/73/38/23/514733823.db2.gz RLWGRQVNRQXHEO-UHFFFAOYSA-N 1 2 372.425 2.719 20 5 FFBDLO O=C(N[C@H]1CCOC2(CCC2)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000489193109 514747265 /nfs/dbraw/zinc/74/72/65/514747265.db2.gz POPVVOQQQFNXCS-AWEZNQCLSA-N 1 2 356.382 2.612 20 5 FFBDLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498152067 514781137 /nfs/dbraw/zinc/78/11/37/514781137.db2.gz GPRZJQDGBQTVPJ-CXAGYDPISA-N 1 2 358.423 2.628 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000489739242 514956237 /nfs/dbraw/zinc/95/62/37/514956237.db2.gz KPUQUTWOSAGFGH-KRWDZBQOSA-N 1 2 373.384 2.980 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000489739242 514956248 /nfs/dbraw/zinc/95/62/48/514956248.db2.gz KPUQUTWOSAGFGH-KRWDZBQOSA-N 1 2 373.384 2.980 20 5 FFBDLO COc1cc[nH+]cc1CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000458817302 515115470 /nfs/dbraw/zinc/11/54/70/515115470.db2.gz VYUGADVVCVAGKX-UHFFFAOYSA-N 1 2 356.382 2.873 20 5 FFBDLO Cc1cc(C(=O)N(CC[NH+]2CCOCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000499116876 515208274 /nfs/dbraw/zinc/20/82/74/515208274.db2.gz LOLWCESHKHICNO-UHFFFAOYSA-N 1 2 369.421 2.882 20 5 FFBDLO CNc1c(C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000462983259 515321956 /nfs/dbraw/zinc/32/19/56/515321956.db2.gz ZZQVMUVRDWVOIK-UHFFFAOYSA-N 1 2 371.319 2.668 20 5 FFBDLO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2Nc2ccc(N3CCOCC3)c[nH+]2)n1 ZINC000472626209 515342707 /nfs/dbraw/zinc/34/27/07/515342707.db2.gz BZGQHBOWHSSXHL-CVEARBPZSA-N 1 2 372.429 2.619 20 5 FFBDLO CCOc1cc(C[N@@H+]2CCNC(=O)[C@@H]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000491681997 515464171 /nfs/dbraw/zinc/46/41/71/515464171.db2.gz WZWCMZPWAFRZOF-SFHVURJKSA-N 1 2 369.421 2.537 20 5 FFBDLO CCOc1cc(C[N@H+]2CCNC(=O)[C@@H]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000491681997 515464180 /nfs/dbraw/zinc/46/41/80/515464180.db2.gz WZWCMZPWAFRZOF-SFHVURJKSA-N 1 2 369.421 2.537 20 5 FFBDLO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000491831130 515473020 /nfs/dbraw/zinc/47/30/20/515473020.db2.gz VRFYDPQNKDXLAK-NSHDSACASA-N 1 2 367.402 2.574 20 5 FFBDLO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000491831130 515473030 /nfs/dbraw/zinc/47/30/30/515473030.db2.gz VRFYDPQNKDXLAK-NSHDSACASA-N 1 2 367.402 2.574 20 5 FFBDLO COc1cc(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)ccc1[N+](=O)[O-] ZINC000492784580 515563619 /nfs/dbraw/zinc/56/36/19/515563619.db2.gz PWSPYDIGIGEIHR-AWEZNQCLSA-N 1 2 357.414 2.979 20 5 FFBDLO COc1cc(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)ccc1[N+](=O)[O-] ZINC000492784580 515563630 /nfs/dbraw/zinc/56/36/30/515563630.db2.gz PWSPYDIGIGEIHR-AWEZNQCLSA-N 1 2 357.414 2.979 20 5 FFBDLO COC(=O)c1cnc(NCc2cccc(-n3cc[nH+]c3)c2)c([N+](=O)[O-])c1 ZINC000477726197 515570303 /nfs/dbraw/zinc/57/03/03/515570303.db2.gz RRBSKQOLWVXDLG-UHFFFAOYSA-N 1 2 353.338 2.574 20 5 FFBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CCOCC2CCCC2)CC1 ZINC000459482775 515584984 /nfs/dbraw/zinc/58/49/84/515584984.db2.gz DMBUWPHODJOXCO-UHFFFAOYSA-N 1 2 361.442 2.559 20 5 FFBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])nn2C)c[nH+]c1N1CCCC[C@H]1C ZINC000477926280 515641047 /nfs/dbraw/zinc/64/10/47/515641047.db2.gz GWDKQZRYXYRLSP-GFCCVEGCSA-N 1 2 358.402 2.663 20 5 FFBDLO COCCOc1ccccc1C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000459625145 515705660 /nfs/dbraw/zinc/70/56/60/515705660.db2.gz XAZPXPSDXZFPHS-UHFFFAOYSA-N 1 2 358.394 2.883 20 5 FFBDLO COc1cc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc([N+](=O)[O-])c1OC ZINC000469383008 515793067 /nfs/dbraw/zinc/79/30/67/515793067.db2.gz DFBOATJWSNEDFR-DOMZBBRYSA-N 1 2 374.397 2.532 20 5 FFBDLO CCC(CC)(CC(=O)OC)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000487412995 515853298 /nfs/dbraw/zinc/85/32/98/515853298.db2.gz NKZHAHDCBJPBTD-UHFFFAOYSA-N 1 2 374.397 2.632 20 5 FFBDLO COc1c(C(=O)NCCn2c(C)[nH+]c3ccccc32)cccc1[N+](=O)[O-] ZINC000474286311 515972555 /nfs/dbraw/zinc/97/25/55/515972555.db2.gz RQYLBBKWEVWZAO-UHFFFAOYSA-N 1 2 354.366 2.692 20 5 FFBDLO O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000511651758 515981669 /nfs/dbraw/zinc/98/16/69/515981669.db2.gz VYKJWYQAQYEYES-UHFFFAOYSA-N 1 2 356.313 2.937 20 5 FFBDLO O=C(C[N@@H+]1CCC[C@@H]2COCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000464856106 515992360 /nfs/dbraw/zinc/99/23/60/515992360.db2.gz RKVIXMNJKLTYKT-ABAIWWIYSA-N 1 2 353.806 2.688 20 5 FFBDLO O=C(C[N@H+]1CCC[C@@H]2COCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000464856106 515992371 /nfs/dbraw/zinc/99/23/71/515992371.db2.gz RKVIXMNJKLTYKT-ABAIWWIYSA-N 1 2 353.806 2.688 20 5 FFBDLO COc1c(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)cccc1[N+](=O)[O-] ZINC000470004960 516075921 /nfs/dbraw/zinc/07/59/21/516075921.db2.gz VOQSVAYRVWHTLN-UHFFFAOYSA-N 1 2 356.382 2.529 20 5 FFBDLO CCn1c2ccc(F)cc2[nH+]c1Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000522960795 516359393 /nfs/dbraw/zinc/35/93/93/516359393.db2.gz XLTZHAFHCZGJJV-UHFFFAOYSA-N 1 2 350.737 2.967 20 5 FFBDLO Cc1cn2cc(NC(=O)NCCNc3ccc([N+](=O)[O-])cc3)ccc2[nH+]1 ZINC000523426076 516467118 /nfs/dbraw/zinc/46/71/18/516467118.db2.gz SXMAVEMBAFKKFF-UHFFFAOYSA-N 1 2 354.370 2.785 20 5 FFBDLO Cc1ccccc1[C@@H](CO)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000541054235 516847772 /nfs/dbraw/zinc/84/77/72/516847772.db2.gz KYXPQCOKWLEAKX-MRXNPFEDSA-N 1 2 354.366 2.776 20 5 FFBDLO CCc1cc(N[C@H](C)Cn2cc[nH+]c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000536983060 516995552 /nfs/dbraw/zinc/99/55/52/516995552.db2.gz MTYRHIUNOJQZHS-CYBMUJFWSA-N 1 2 352.398 2.733 20 5 FFBDLO CCc1ccc([C@H](COC)[NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])o1 ZINC000541623376 517148122 /nfs/dbraw/zinc/14/81/22/517148122.db2.gz OFXFVQRMHBHRCY-AWEZNQCLSA-N 1 2 361.398 2.974 20 5 FFBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCc3ccc(O)cc3C2)cccc1[N+](=O)[O-] ZINC000533072096 517280396 /nfs/dbraw/zinc/28/03/96/517280396.db2.gz YKYQLKBPEQJZJB-CYBMUJFWSA-N 1 2 355.394 2.994 20 5 FFBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCc3ccc(O)cc3C2)cccc1[N+](=O)[O-] ZINC000533072096 517280405 /nfs/dbraw/zinc/28/04/05/517280405.db2.gz YKYQLKBPEQJZJB-CYBMUJFWSA-N 1 2 355.394 2.994 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCCO[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000559498760 517289073 /nfs/dbraw/zinc/28/90/73/517289073.db2.gz ZGVQMEBWBIIAGU-KRWDZBQOSA-N 1 2 365.430 2.679 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+]2CCCO[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000559498760 517289081 /nfs/dbraw/zinc/28/90/81/517289081.db2.gz ZGVQMEBWBIIAGU-KRWDZBQOSA-N 1 2 365.430 2.679 20 5 FFBDLO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000520223682 517307656 /nfs/dbraw/zinc/30/76/56/517307656.db2.gz NBYXEKNTLNYPER-UHFFFAOYSA-N 1 2 373.384 2.571 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCc2cccc(-c3[nH]cc[nH+]3)c2)n1 ZINC000553182597 517562880 /nfs/dbraw/zinc/56/28/80/517562880.db2.gz LLKRPYMEKXWVNJ-UHFFFAOYSA-N 1 2 353.338 2.779 20 5 FFBDLO COc1c(C(=O)N2CC[NH+](Cc3ccsc3)CC2)cccc1[N+](=O)[O-] ZINC000527221559 517571970 /nfs/dbraw/zinc/57/19/70/517571970.db2.gz YUXGXPXILKLNRH-UHFFFAOYSA-N 1 2 361.423 2.623 20 5 FFBDLO COc1cc(-c2nc(Cc3ccc(C)[nH+]c3)no2)cc([N+](=O)[O-])c1OC ZINC000546341174 517648467 /nfs/dbraw/zinc/64/84/67/517648467.db2.gz RGOUEXAUOVKQEB-UHFFFAOYSA-N 1 2 356.338 2.956 20 5 FFBDLO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000549687650 517659771 /nfs/dbraw/zinc/65/97/71/517659771.db2.gz MZFNUKKVICMABQ-CXAGYDPISA-N 1 2 358.394 2.810 20 5 FFBDLO CNc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc1[N+](=O)[O-] ZINC000521770121 517849652 /nfs/dbraw/zinc/84/96/52/517849652.db2.gz TXXGGCNUJHAQQC-SWLSCSKDSA-N 1 2 359.386 2.612 20 5 FFBDLO CNc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc1[N+](=O)[O-] ZINC000521770121 517849662 /nfs/dbraw/zinc/84/96/62/517849662.db2.gz TXXGGCNUJHAQQC-SWLSCSKDSA-N 1 2 359.386 2.612 20 5 FFBDLO O=C(NCC1CC[NH+](CC(F)F)CC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000563403949 517883907 /nfs/dbraw/zinc/88/39/07/517883907.db2.gz RNYGNGLGZZRXQH-JKSUJKDBSA-N 1 2 367.396 2.792 20 5 FFBDLO O=C(NCC1CC[NH+](CC(F)F)CC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000560604104 517925812 /nfs/dbraw/zinc/92/58/12/517925812.db2.gz NWGUAKXKNREKLM-UHFFFAOYSA-N 1 2 366.368 2.783 20 5 FFBDLO O=C(Nc1cccc2[nH]c(=O)[nH]c21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000560609425 517927568 /nfs/dbraw/zinc/92/75/68/517927568.db2.gz HOVZYCHNYPFGPW-UHFFFAOYSA-N 1 2 364.321 2.615 20 5 FFBDLO COc1cc2c(cc1C[NH+]1CCN(c3ccccc3[N+](=O)[O-])CC1)OCO2 ZINC000546975141 517945268 /nfs/dbraw/zinc/94/52/68/517945268.db2.gz OZQBDAKNOPAUAK-UHFFFAOYSA-N 1 2 371.393 2.654 20 5 FFBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2C[N@H+](C)CCN2C)no1 ZINC000547206079 518022791 /nfs/dbraw/zinc/02/27/91/518022791.db2.gz KGZSHXRQNIZPTI-RISCZKNCSA-N 1 2 363.443 2.749 20 5 FFBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2C[N@@H+](C)CCN2C)no1 ZINC000547206079 518022796 /nfs/dbraw/zinc/02/27/96/518022796.db2.gz KGZSHXRQNIZPTI-RISCZKNCSA-N 1 2 363.443 2.749 20 5 FFBDLO COc1ccc(CC(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000522370866 518091110 /nfs/dbraw/zinc/09/11/10/518091110.db2.gz OYHQYQWMINZYKD-UHFFFAOYSA-N 1 2 366.377 2.648 20 5 FFBDLO O=[N+]([O-])c1ccc(NCc2ccn3cc[nH+]c3c2)c(F)c1N1CCOCC1 ZINC000563820274 518137359 /nfs/dbraw/zinc/13/73/59/518137359.db2.gz DOBRIJILKZVVCA-UHFFFAOYSA-N 1 2 371.372 2.830 20 5 FFBDLO Cc1ccc(OC[C@@H](O)C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000563843248 518144834 /nfs/dbraw/zinc/14/48/34/518144834.db2.gz RWYPFEPKDJZEBV-KRWDZBQOSA-N 1 2 358.394 2.538 20 5 FFBDLO Cc1ccc(OC[C@@H](O)C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000563843248 518144840 /nfs/dbraw/zinc/14/48/40/518144840.db2.gz RWYPFEPKDJZEBV-KRWDZBQOSA-N 1 2 358.394 2.538 20 5 FFBDLO C[N@H+]1Cc2ccccc2[C@@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000535265104 518171770 /nfs/dbraw/zinc/17/17/70/518171770.db2.gz IULVOVJDYFWNEL-INIZCTEOSA-N 1 2 361.423 2.597 20 5 FFBDLO C[N@@H+]1Cc2ccccc2[C@@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000535265104 518171771 /nfs/dbraw/zinc/17/17/71/518171771.db2.gz IULVOVJDYFWNEL-INIZCTEOSA-N 1 2 361.423 2.597 20 5 FFBDLO COc1ccc(CSCC(=O)NC(C)(C)c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000567173024 518387930 /nfs/dbraw/zinc/38/79/30/518387930.db2.gz KHUHRBGYWKDAIO-UHFFFAOYSA-N 1 2 364.427 2.611 20 5 FFBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCc2c[nH+]cn2C1 ZINC000587066380 518676568 /nfs/dbraw/zinc/67/65/68/518676568.db2.gz LXRGHIQGXWQEOU-NSHDSACASA-N 1 2 366.830 2.668 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCCc3occc3C2)c([N+](=O)[O-])c1 ZINC000571002787 518878718 /nfs/dbraw/zinc/87/87/18/518878718.db2.gz QUIABYJUGNLWRE-UHFFFAOYSA-N 1 2 359.382 2.973 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+]2CCCc3occc3C2)c([N+](=O)[O-])c1 ZINC000571002787 518878721 /nfs/dbraw/zinc/87/87/21/518878721.db2.gz QUIABYJUGNLWRE-UHFFFAOYSA-N 1 2 359.382 2.973 20 5 FFBDLO COc1cccc([N+](=O)[O-])c1NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000568325683 518979977 /nfs/dbraw/zinc/97/99/77/518979977.db2.gz QAJAEVFCTJMOCK-CYBMUJFWSA-N 1 2 358.398 2.836 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000580076741 518997133 /nfs/dbraw/zinc/99/71/33/518997133.db2.gz FQMLRXMZFILMJD-HZPDHXFCSA-N 1 2 370.409 2.812 20 5 FFBDLO O=C(Nc1cccc2[nH]c(=O)oc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000589534533 519026930 /nfs/dbraw/zinc/02/69/30/519026930.db2.gz ZXWACGPVRKIFOU-UHFFFAOYSA-N 1 2 365.305 2.880 20 5 FFBDLO CC(C)n1ccc(CN[C@@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000583099296 519075541 /nfs/dbraw/zinc/07/55/41/519075541.db2.gz IWIUFAOMKNFPAY-QGZVFWFLSA-N 1 2 354.414 2.985 20 5 FFBDLO CC(C)c1[nH+]c2ccccc2n1Cc1noc(-c2cc([N+](=O)[O-])nn2C)n1 ZINC000580859682 519395379 /nfs/dbraw/zinc/39/53/79/519395379.db2.gz XCIHPFMURPOVBX-UHFFFAOYSA-N 1 2 367.369 2.900 20 5 FFBDLO CC(C)(C)OC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000566306723 519424650 /nfs/dbraw/zinc/42/46/50/519424650.db2.gz WWCZPGJYAILXMW-UHFFFAOYSA-N 1 2 350.415 2.918 20 5 FFBDLO CC(C)(C)OC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000566306723 519424659 /nfs/dbraw/zinc/42/46/59/519424659.db2.gz WWCZPGJYAILXMW-UHFFFAOYSA-N 1 2 350.415 2.918 20 5 FFBDLO Cc1cc(C)cc(OC[C@@H](O)C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000578266307 519502619 /nfs/dbraw/zinc/50/26/19/519502619.db2.gz FGYCHQDXIOKSQH-SFHVURJKSA-N 1 2 372.421 2.846 20 5 FFBDLO Cc1cc(C)cc(OC[C@@H](O)C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000578266307 519502625 /nfs/dbraw/zinc/50/26/25/519502625.db2.gz FGYCHQDXIOKSQH-SFHVURJKSA-N 1 2 372.421 2.846 20 5 FFBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000584065912 519573773 /nfs/dbraw/zinc/57/37/73/519573773.db2.gz ZHMDZGHBQBGQDL-UHFFFAOYSA-N 1 2 353.382 2.627 20 5 FFBDLO Cc1csc(CC2(O)CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)n1 ZINC000602892215 519955817 /nfs/dbraw/zinc/95/58/17/519955817.db2.gz HEKPVMLKOSCASO-UHFFFAOYSA-N 1 2 353.469 2.991 20 5 FFBDLO CCn1nc(C)c(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1C ZINC000602927025 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MVYALYDBDDYIGY-CYBMUJFWSA-N 1 2 367.365 2.522 20 5 FFBDLO CCOc1cc(C(=O)NCCCNc2cccc[nH+]2)c([N+](=O)[O-])cc1OC ZINC000609650469 520394696 /nfs/dbraw/zinc/39/46/96/520394696.db2.gz AGQMDTHFLHPLOB-UHFFFAOYSA-N 1 2 374.397 2.629 20 5 FFBDLO COCC1(C2CCC2)CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000598062693 520405380 /nfs/dbraw/zinc/40/53/80/520405380.db2.gz YZNLZHHXKWPNTQ-UHFFFAOYSA-N 1 2 370.409 2.669 20 5 FFBDLO Cn1c2ccc(Cl)cc2[nH+]c1NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000613285978 520428702 /nfs/dbraw/zinc/42/87/02/520428702.db2.gz CDVARHOZNNLIID-UHFFFAOYSA-N 1 2 374.784 2.940 20 5 FFBDLO COC(=O)COc1ccc(C[NH+]2CC(C)(CC(F)F)C2)cc1[N+](=O)[O-] ZINC000592524110 520438167 /nfs/dbraw/zinc/43/81/67/520438167.db2.gz VTZDNVKYLDBKPH-UHFFFAOYSA-N 1 2 358.341 2.624 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@H](CCO)C1 ZINC000609849088 520457490 /nfs/dbraw/zinc/45/74/90/520457490.db2.gz YSVQSZFGUXDENQ-VXGBXAGGSA-N 1 2 355.822 2.670 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@H](CCO)C1 ZINC000609849088 520457493 /nfs/dbraw/zinc/45/74/93/520457493.db2.gz YSVQSZFGUXDENQ-VXGBXAGGSA-N 1 2 355.822 2.670 20 5 FFBDLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])n3C)CC2)s1 ZINC000609995127 520498922 /nfs/dbraw/zinc/49/89/22/520498922.db2.gz FHRHUPNUOHQZAW-UHFFFAOYSA-N 1 2 362.455 2.515 20 5 FFBDLO Cc1noc(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000595493769 520505408 /nfs/dbraw/zinc/50/54/08/520505408.db2.gz VJPGCGJYVZOKJG-CQSZACIVSA-N 1 2 370.203 2.651 20 5 FFBDLO CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000592697231 520529750 /nfs/dbraw/zinc/52/97/50/520529750.db2.gz SOFGUMDJVHTTJW-OKILXGFUSA-N 1 2 358.398 2.856 20 5 FFBDLO O=[N+]([O-])c1ccc(NCc2cccc(OCC[NH+]3CCOCC3)c2)s1 ZINC000610274306 520616363 /nfs/dbraw/zinc/61/63/63/520616363.db2.gz MGCPALPHSWFWAB-UHFFFAOYSA-N 1 2 363.439 2.979 20 5 FFBDLO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2[nH+]ccn2C)cc1SC ZINC000598460647 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CC(C)[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccn1 ZINC000612030406 521447168 /nfs/dbraw/zinc/44/71/68/521447168.db2.gz YAIFDVACPAZSFY-UHFFFAOYSA-N 1 2 363.439 2.674 20 5 FFBDLO CC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000594172293 521448650 /nfs/dbraw/zinc/44/86/50/521448650.db2.gz IJDLDHCGIDMMPF-YOEHRIQHSA-N 1 2 358.398 2.858 20 5 FFBDLO Cc1cc(NCCNC(=O)Nc2ccc([N+](=O)[O-])cc2C)nc(C(C)C)[nH+]1 ZINC000599779500 521465979 /nfs/dbraw/zinc/46/59/79/521465979.db2.gz IWWZINFTSZXSFR-UHFFFAOYSA-N 1 2 372.429 2.781 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000619434210 521566000 /nfs/dbraw/zinc/56/60/00/521566000.db2.gz DKDROZWVFKVXEA-GOSISDBHSA-N 1 2 350.415 2.763 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000619434210 521566006 /nfs/dbraw/zinc/56/60/06/521566006.db2.gz DKDROZWVFKVXEA-GOSISDBHSA-N 1 2 350.415 2.763 20 5 FFBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN([C@H]3CCOC3)CC2)o1 ZINC000597203402 521571355 /nfs/dbraw/zinc/57/13/55/521571355.db2.gz PIWPUAUCFMVXBS-HNNXBMFYSA-N 1 2 357.410 2.761 20 5 FFBDLO CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(N(C)C)cc[nH+]2)cc1OC ZINC000612346695 521586047 /nfs/dbraw/zinc/58/60/47/521586047.db2.gz OLZYTEKHZIMAAQ-UHFFFAOYSA-N 1 2 360.370 2.715 20 5 FFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000619778392 521867197 /nfs/dbraw/zinc/86/71/97/521867197.db2.gz VYLYHHLJDHWNFI-KRWDZBQOSA-N 1 2 359.813 2.964 20 5 FFBDLO CN(C)c1c[nH+]ccc1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000619808512 521882599 /nfs/dbraw/zinc/88/25/99/521882599.db2.gz OFEZQPOOMIXZMX-UHFFFAOYSA-N 1 2 357.414 2.622 20 5 FFBDLO O=[N+]([O-])c1cccc(F)c1C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826499673 608533173 /nfs/dbraw/zinc/53/31/73/608533173.db2.gz RTLSHCMBOZPEIW-UHFFFAOYSA-N 1 2 354.345 2.693 20 5 FFBDLO Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c(C)c[nH+]1 ZINC000746601036 735497377 /nfs/dbraw/zinc/49/73/77/735497377.db2.gz UOPUCDFDZAQACJ-UHFFFAOYSA-N 1 2 355.803 2.791 20 5 FFBDLO CC(C)CO[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000120062398 728605018 /nfs/dbraw/zinc/60/50/18/728605018.db2.gz UOEVZMVLCPGSSC-ZDUSSCGKSA-N 1 2 355.822 2.934 20 5 FFBDLO CC(C)CO[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000120062398 728605020 /nfs/dbraw/zinc/60/50/20/728605020.db2.gz UOEVZMVLCPGSSC-ZDUSSCGKSA-N 1 2 355.822 2.934 20 5 FFBDLO Cc1nn(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000863301391 730765938 /nfs/dbraw/zinc/76/59/38/730765938.db2.gz DCMGXCBSOQJSMT-SMDDNHRTSA-N 1 2 352.435 2.665 20 5 FFBDLO Cc1nn(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000863301391 730765939 /nfs/dbraw/zinc/76/59/39/730765939.db2.gz DCMGXCBSOQJSMT-SMDDNHRTSA-N 1 2 352.435 2.665 20 5 FFBDLO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000770378843 737620275 /nfs/dbraw/zinc/62/02/75/737620275.db2.gz HKJBJRQJPTUAJT-GFCCVEGCSA-N 1 2 370.247 2.658 20 5 FFBDLO CC(=O)N1CC[C@H](C[N@H+](C)Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000770378843 737620281 /nfs/dbraw/zinc/62/02/81/737620281.db2.gz HKJBJRQJPTUAJT-GFCCVEGCSA-N 1 2 370.247 2.658 20 5 FFBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CC[NH+](CCc2cnccn2)CC1 ZINC000866120351 731032357 /nfs/dbraw/zinc/03/23/57/731032357.db2.gz WXHZFNNQFFPDQO-UHFFFAOYSA-N 1 2 365.796 2.542 20 5 FFBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ncccc3Br)CC2)n1 ZINC000878523835 732548037 /nfs/dbraw/zinc/54/80/37/732548037.db2.gz JRGOUAKGEGNBRX-UHFFFAOYSA-N 1 2 366.219 2.786 20 5 FFBDLO O=C(OCCCn1cc[nH+]c1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000781821521 738662073 /nfs/dbraw/zinc/66/20/73/738662073.db2.gz HJULVMQMPAPSBT-UHFFFAOYSA-N 1 2 354.160 2.801 20 5 FFBDLO Cc1ccc(C(=O)NC2CC[NH+](Cc3cccnc3[N+](=O)[O-])CC2)s1 ZINC000886054888 733743787 /nfs/dbraw/zinc/74/37/87/733743787.db2.gz NWYMFAGNPITXQV-UHFFFAOYSA-N 1 2 360.439 2.754 20 5 FFBDLO Cc1cccc(OCC[N@@H+](C)Cn2cc(Br)c([N+](=O)[O-])n2)c1 ZINC000725772629 734388994 /nfs/dbraw/zinc/38/89/94/734388994.db2.gz ZGSIIYBEPYSFJH-UHFFFAOYSA-N 1 2 369.219 2.831 20 5 FFBDLO Cc1cccc(OCC[N@H+](C)Cn2cc(Br)c([N+](=O)[O-])n2)c1 ZINC000725772629 734388998 /nfs/dbraw/zinc/38/89/98/734388998.db2.gz ZGSIIYBEPYSFJH-UHFFFAOYSA-N 1 2 369.219 2.831 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cnc(Br)cn1 ZINC000895408520 735001774 /nfs/dbraw/zinc/00/17/74/735001774.db2.gz DVFZNDLSMMSYRF-UHFFFAOYSA-N 1 2 367.203 2.836 20 5 FFBDLO COC[C@H](OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000752535525 735993093 /nfs/dbraw/zinc/99/30/93/735993093.db2.gz BEZKCLZELBSWKS-LBPRGKRZSA-N 1 2 359.260 2.515 20 5 FFBDLO COc1cc(C[N@@H+]2CCO[C@H](C)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000932346722 739437144 /nfs/dbraw/zinc/43/71/44/739437144.db2.gz JFDBGOSBNRJGTE-LLVKDONJSA-N 1 2 360.357 2.858 20 5 FFBDLO COc1cc(C[N@H+]2CCO[C@H](C)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000932346722 739437150 /nfs/dbraw/zinc/43/71/50/739437150.db2.gz JFDBGOSBNRJGTE-LLVKDONJSA-N 1 2 360.357 2.858 20 5 FFBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1(C(F)(F)F)CC1 ZINC000906223308 736472868 /nfs/dbraw/zinc/47/28/68/736472868.db2.gz JEWRTBBCYSGVBP-UHFFFAOYSA-N 1 2 354.288 2.947 20 5 FFBDLO CC(C)(C)OC(=O)NC[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000763431578 736937498 /nfs/dbraw/zinc/93/74/98/736937498.db2.gz IQQWOLUIBWIRLN-CQSZACIVSA-N 1 2 351.403 2.693 20 5 FFBDLO COCCC[N@H+](CCOC)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000768937115 737479991 /nfs/dbraw/zinc/47/99/91/737479991.db2.gz RBYIDDDOVYHYDA-UHFFFAOYSA-N 1 2 361.236 2.842 20 5 FFBDLO COCCC[N@@H+](CCOC)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000768937115 737479994 /nfs/dbraw/zinc/47/99/94/737479994.db2.gz RBYIDDDOVYHYDA-UHFFFAOYSA-N 1 2 361.236 2.842 20 5 FFBDLO CC(C)[N@H+](CCOCCO)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000930357854 739093615 /nfs/dbraw/zinc/09/36/15/739093615.db2.gz FXPIAGKQJUBRJT-UHFFFAOYSA-N 1 2 361.236 2.577 20 5 FFBDLO CC(C)[N@@H+](CCOCCO)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000930357854 739093616 /nfs/dbraw/zinc/09/36/16/739093616.db2.gz FXPIAGKQJUBRJT-UHFFFAOYSA-N 1 2 361.236 2.577 20 5 FFBDLO CC(C)[N@@H+](Cc1cc([N+](=O)[O-])ccc1Br)C[C@H]1CCC(=O)N1 ZINC000930740615 739155868 /nfs/dbraw/zinc/15/58/68/739155868.db2.gz SXOMHNPITXSRTE-GFCCVEGCSA-N 1 2 370.247 2.846 20 5 FFBDLO CC(C)[N@H+](Cc1cc([N+](=O)[O-])ccc1Br)C[C@H]1CCC(=O)N1 ZINC000930740615 739155871 /nfs/dbraw/zinc/15/58/71/739155871.db2.gz SXOMHNPITXSRTE-GFCCVEGCSA-N 1 2 370.247 2.846 20 5 FFBDLO CCOc1cc(C[N@@H+]2CCOC[C@H]2C[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000933681598 739672163 /nfs/dbraw/zinc/67/21/63/739672163.db2.gz PQSVICDFNHQCCU-HZPDHXFCSA-N 1 2 350.415 2.763 20 5 FFBDLO CCOc1cc(C[N@H+]2CCOC[C@H]2C[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000933681598 739672165 /nfs/dbraw/zinc/67/21/65/739672165.db2.gz PQSVICDFNHQCCU-HZPDHXFCSA-N 1 2 350.415 2.763 20 5 FFBDLO CCOc1cc(C[N@@H+]2CCOC[C@@H]2C[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000933681597 739672193 /nfs/dbraw/zinc/67/21/93/739672193.db2.gz PQSVICDFNHQCCU-HOTGVXAUSA-N 1 2 350.415 2.763 20 5 FFBDLO CCOc1cc(C[N@H+]2CCOC[C@@H]2C[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000933681597 739672197 /nfs/dbraw/zinc/67/21/97/739672197.db2.gz PQSVICDFNHQCCU-HOTGVXAUSA-N 1 2 350.415 2.763 20 5 FFBDLO O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1C[NH+]1C2CCC1CC2 ZINC000795403528 740017070 /nfs/dbraw/zinc/01/70/70/740017070.db2.gz ZYLKABJSFFFQEI-UHFFFAOYSA-N 1 2 366.215 2.897 20 5 FFBDLO O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000796529877 740150113 /nfs/dbraw/zinc/15/01/13/740150113.db2.gz JDAGEHUEPFFEJD-KGLIPLIRSA-N 1 2 369.443 2.526 20 5 FFBDLO O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000796529877 740150115 /nfs/dbraw/zinc/15/01/15/740150115.db2.gz JDAGEHUEPFFEJD-KGLIPLIRSA-N 1 2 369.443 2.526 20 5 FFBDLO O=C(O[C@@H]1CC[N@H+](CCF)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000802244389 740689736 /nfs/dbraw/zinc/68/97/36/740689736.db2.gz OPASYRABSUXLCB-GFCCVEGCSA-N 1 2 361.167 2.558 20 5 FFBDLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000802244389 740689741 /nfs/dbraw/zinc/68/97/41/740689741.db2.gz OPASYRABSUXLCB-GFCCVEGCSA-N 1 2 361.167 2.558 20 5 FFBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000806252836 741047854 /nfs/dbraw/zinc/04/78/54/741047854.db2.gz KXCLXSZNDCRCDF-DGCLKSJQSA-N 1 2 368.821 2.575 20 5 FFBDLO O=C1CCC2=C(CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)N1 ZINC000826780698 743441055 /nfs/dbraw/zinc/44/10/55/743441055.db2.gz OODCVVMQXYUEAQ-UHFFFAOYSA-N 1 2 353.325 2.566 20 5 FFBDLO O=C1CCC2=C(CC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)N1 ZINC000826780698 743441060 /nfs/dbraw/zinc/44/10/60/743441060.db2.gz OODCVVMQXYUEAQ-UHFFFAOYSA-N 1 2 353.325 2.566 20 5 FFBDLO CC(C)(C)OC(=O)C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000844410033 748023852 /nfs/dbraw/zinc/02/38/52/748023852.db2.gz PJDDYMBGNZLYJF-INIZCTEOSA-N 1 2 350.415 2.682 20 5 FFBDLO CC(C)(C)OC(=O)C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000844410033 748023861 /nfs/dbraw/zinc/02/38/61/748023861.db2.gz PJDDYMBGNZLYJF-INIZCTEOSA-N 1 2 350.415 2.682 20 5 FFBDLO Cc1noc(C[N@H+](C)C[C@@H](O)c2cccc(Br)c2)c1[N+](=O)[O-] ZINC000852171397 749793431 /nfs/dbraw/zinc/79/34/31/749793431.db2.gz FFTUUUISXRBNHD-GFCCVEGCSA-N 1 2 370.203 2.819 20 5 FFBDLO Cc1noc(C[N@@H+](C)C[C@@H](O)c2cccc(Br)c2)c1[N+](=O)[O-] ZINC000852171397 749793438 /nfs/dbraw/zinc/79/34/38/749793438.db2.gz FFTUUUISXRBNHD-GFCCVEGCSA-N 1 2 370.203 2.819 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000852503122 749877945 /nfs/dbraw/zinc/87/79/45/749877945.db2.gz QNFKWRCZYQUSOU-PIGZYNQJSA-N 1 2 367.833 2.812 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000852503122 749877958 /nfs/dbraw/zinc/87/79/58/749877958.db2.gz QNFKWRCZYQUSOU-PIGZYNQJSA-N 1 2 367.833 2.812 20 5 FFBDLO Cc1nn(CN2CCN(c3cc(C)cc[nH+]3)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000121265914 963403420 /nfs/dbraw/zinc/40/34/20/963403420.db2.gz NNIGFWIQHIMNEW-UHFFFAOYSA-N 1 2 366.425 2.736 20 5 FFBDLO CSc1cc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)ccn1 ZINC001266702603 963647131 /nfs/dbraw/zinc/64/71/31/963647131.db2.gz JQWDBGKARFQZPM-UHFFFAOYSA-N 1 2 369.406 2.827 20 5 FFBDLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H]([C@H]2CCCO2)C1 ZINC000933189380 963692156 /nfs/dbraw/zinc/69/21/56/963692156.db2.gz ZHMPFYGDBQSVCH-CSMYWGQOSA-N 1 2 366.389 2.667 20 5 FFBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H]([C@H]2CCCO2)C1 ZINC000933189380 963692160 /nfs/dbraw/zinc/69/21/60/963692160.db2.gz ZHMPFYGDBQSVCH-CSMYWGQOSA-N 1 2 366.389 2.667 20 5 FFBDLO C[C@]1(C(F)(F)F)C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001175513648 1013497067 /nfs/dbraw/zinc/49/70/67/1013497067.db2.gz VFSYPAXLKONMCO-CQSZACIVSA-N 1 2 361.320 2.577 20 5 FFBDLO C[C@]1(C(F)(F)F)C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001175513648 1013497071 /nfs/dbraw/zinc/49/70/71/1013497071.db2.gz VFSYPAXLKONMCO-CQSZACIVSA-N 1 2 361.320 2.577 20 5 FFBDLO Cc1cc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nc(C2CCC2)[nH+]1 ZINC000891757410 965024407 /nfs/dbraw/zinc/02/44/07/965024407.db2.gz QJPHIRZOWKKQJP-UHFFFAOYSA-N 1 2 354.414 2.682 20 5 FFBDLO Cc1c(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cccc1[N+](=O)[O-] ZINC000178634640 977669145 /nfs/dbraw/zinc/66/91/45/977669145.db2.gz VLOPRJKIPJFFKI-UHFFFAOYSA-N 1 2 350.378 2.948 20 5 FFBDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000729338007 978244569 /nfs/dbraw/zinc/24/45/69/978244569.db2.gz IXVUUVVDLVVIRI-HNNXBMFYSA-N 1 2 364.377 2.540 20 5 FFBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000130382097 982620985 /nfs/dbraw/zinc/62/09/85/982620985.db2.gz DKACCRIUQOPONQ-RBUKOAKNSA-N 1 2 373.453 2.729 20 5 FFBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000130382097 982620989 /nfs/dbraw/zinc/62/09/89/982620989.db2.gz DKACCRIUQOPONQ-RBUKOAKNSA-N 1 2 373.453 2.729 20 5 FFBDLO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccccc1-n1cc[nH+]c1 ZINC000915294185 988387584 /nfs/dbraw/zinc/38/75/84/988387584.db2.gz ZZROAXVQOZSJAK-UHFFFAOYSA-N 1 2 362.349 2.769 20 5 FFBDLO Cc1c(CNC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cccc1[N+](=O)[O-] ZINC000444123359 989215039 /nfs/dbraw/zinc/21/50/39/989215039.db2.gz RRHQFPKSIVGXEF-OAHLLOKOSA-N 1 2 357.414 2.726 20 5 FFBDLO C[N@@H+]1CCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000747657010 994977605 /nfs/dbraw/zinc/97/76/05/994977605.db2.gz SAGUEQJCRLAXPP-INIZCTEOSA-N 1 2 374.828 2.959 20 5 FFBDLO C[N@H+]1CCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000747657010 994977615 /nfs/dbraw/zinc/97/76/15/994977615.db2.gz SAGUEQJCRLAXPP-INIZCTEOSA-N 1 2 374.828 2.959 20 5 FFBDLO O=C(COc1ccccc1[N+](=O)[O-])N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001132815184 995146735 /nfs/dbraw/zinc/14/67/35/995146735.db2.gz GZUXPCXDTGLFPV-MRXNPFEDSA-N 1 2 366.377 2.728 20 5 FFBDLO Cc1nn(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c2ncc([N+](=O)[O-])cc12 ZINC000811790001 995262964 /nfs/dbraw/zinc/26/29/64/995262964.db2.gz KAJVFNHAIVEXJM-CVEARBPZSA-N 1 2 357.414 2.639 20 5 FFBDLO Cc1nn(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c2ncc([N+](=O)[O-])cc12 ZINC000811790001 995262971 /nfs/dbraw/zinc/26/29/71/995262971.db2.gz KAJVFNHAIVEXJM-CVEARBPZSA-N 1 2 357.414 2.639 20 5 FFBDLO CC[N@H+](C)[C@@H](C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000741148595 999711551 /nfs/dbraw/zinc/71/15/51/999711551.db2.gz GTSLMONWWHVFLY-GOSISDBHSA-N 1 2 371.393 2.770 20 5 FFBDLO CC[N@@H+](C)[C@@H](C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000741148595 999711553 /nfs/dbraw/zinc/71/15/53/999711553.db2.gz GTSLMONWWHVFLY-GOSISDBHSA-N 1 2 371.393 2.770 20 5 FFBDLO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)cc2)CC1 ZINC000771915205 1001248595 /nfs/dbraw/zinc/24/85/95/1001248595.db2.gz QXAURIGGAKLSBZ-UHFFFAOYSA-N 1 2 370.409 2.695 20 5 FFBDLO Cn1cc(C(=O)OCCCc2[nH+]ccn2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000788041249 1001748070 /nfs/dbraw/zinc/74/80/70/1001748070.db2.gz GMOXENHQOPXTPB-UHFFFAOYSA-N 1 2 369.381 2.518 20 5 FFBDLO COc1c(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cccc1[N+](=O)[O-] ZINC000793236517 1003313901 /nfs/dbraw/zinc/31/39/01/1003313901.db2.gz IEROOBDDBNIIQN-UHFFFAOYSA-N 1 2 352.350 2.719 20 5 FFBDLO CCOC(=O)[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)CCC1(F)F ZINC001196564631 1003816213 /nfs/dbraw/zinc/81/62/13/1003816213.db2.gz YEVSUGVFYRTPDW-ZDUSSCGKSA-N 1 2 358.341 2.624 20 5 FFBDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)CCC1(F)F ZINC001196564631 1003816223 /nfs/dbraw/zinc/81/62/23/1003816223.db2.gz YEVSUGVFYRTPDW-ZDUSSCGKSA-N 1 2 358.341 2.624 20 5 FFBDLO O=C(Nc1nccnc1C1CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001134254285 1006240776 /nfs/dbraw/zinc/24/07/76/1006240776.db2.gz DEHHBEPLYCQRDT-UHFFFAOYSA-N 1 2 350.338 2.700 20 5 FFBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000853595053 1006465832 /nfs/dbraw/zinc/46/58/32/1006465832.db2.gz WUTNSCRAGRPYKA-CQSZACIVSA-N 1 2 355.350 2.614 20 5 FFBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000853595053 1006465838 /nfs/dbraw/zinc/46/58/38/1006465838.db2.gz WUTNSCRAGRPYKA-CQSZACIVSA-N 1 2 355.350 2.614 20 5 FFBDLO COC(=O)c1ccoc1COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000818033380 1007850243 /nfs/dbraw/zinc/85/02/43/1007850243.db2.gz KJXARPMSAQROCD-UHFFFAOYSA-N 1 2 371.305 2.517 20 5 FFBDLO O=C(N[C@H]1CCn2c[nH+]cc21)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000857984605 1008268505 /nfs/dbraw/zinc/26/85/05/1008268505.db2.gz CAVJTOQYRVRLAE-NSHDSACASA-N 1 2 370.287 2.607 20 5 FFBDLO Cc1cccc(C(=O)NC2CC[NH+](Cc3cccnc3[N+](=O)[O-])CC2)c1 ZINC000886307624 1008633366 /nfs/dbraw/zinc/63/33/66/1008633366.db2.gz XRWUTEDUNAKMEZ-UHFFFAOYSA-N 1 2 354.410 2.693 20 5 FFBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000794641298 1010438595 /nfs/dbraw/zinc/43/85/95/1010438595.db2.gz VSMRJPVJKNRQTL-AWEZNQCLSA-N 1 2 369.377 2.861 20 5 FFBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000794641298 1010438598 /nfs/dbraw/zinc/43/85/98/1010438598.db2.gz VSMRJPVJKNRQTL-AWEZNQCLSA-N 1 2 369.377 2.861 20 5 FFBDLO COc1ccc(C[N@H+](C)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)cc1C ZINC000794625654 1010446717 /nfs/dbraw/zinc/44/67/17/1010446717.db2.gz IVIPNWXZUXWREI-UHFFFAOYSA-N 1 2 357.366 2.909 20 5 FFBDLO COc1ccc(C[N@@H+](C)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)cc1C ZINC000794625654 1010446721 /nfs/dbraw/zinc/44/67/21/1010446721.db2.gz IVIPNWXZUXWREI-UHFFFAOYSA-N 1 2 357.366 2.909 20 5 FFBDLO O=C(Cc1cccc(F)c1[N+](=O)[O-])Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000864994326 1010668846 /nfs/dbraw/zinc/66/88/46/1010668846.db2.gz ICIXKVSAFMHGKI-UHFFFAOYSA-N 1 2 373.384 2.747 20 5 FFBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCn2c(COCC3CC3)nnc2C1 ZINC001173228545 1012364069 /nfs/dbraw/zinc/36/40/69/1012364069.db2.gz ZAJVGOAMQNOHDI-CQSZACIVSA-N 1 2 371.441 2.560 20 5 FFBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCn2c(COCC3CC3)nnc2C1 ZINC001173228545 1012364081 /nfs/dbraw/zinc/36/40/81/1012364081.db2.gz ZAJVGOAMQNOHDI-CQSZACIVSA-N 1 2 371.441 2.560 20 5 FFBDLO CCOC(=O)c1cnc2n1CC[N@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@H]2C ZINC001173233402 1012366101 /nfs/dbraw/zinc/36/61/01/1012366101.db2.gz WGPOUDXQWAARRW-KGLIPLIRSA-N 1 2 372.425 2.976 20 5 FFBDLO CCOC(=O)c1cnc2n1CC[N@@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@H]2C ZINC001173233402 1012366118 /nfs/dbraw/zinc/36/61/18/1012366118.db2.gz WGPOUDXQWAARRW-KGLIPLIRSA-N 1 2 372.425 2.976 20 5 FFBDLO O=C(OCc1cn2ccccc2n1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000123506756 1012750343 /nfs/dbraw/zinc/75/03/43/1012750343.db2.gz HSLYSMHGEAOHMM-UHFFFAOYSA-N 1 2 363.333 2.785 20 5 FFBDLO CCn1c[nH+]c2c1CCN([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000933258147 1020985851 /nfs/dbraw/zinc/98/58/51/1020985851.db2.gz MLTXBPYJWSSUGN-CYBMUJFWSA-N 1 2 357.414 2.505 20 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CCCCc1nc(COC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)no1 ZINC000838100847 1026208672 /nfs/dbraw/zinc/20/86/72/1026208672.db2.gz HADOAFMATQIQEM-UHFFFAOYSA-N 1 2 371.353 2.863 20 5 FFBDLO Cc1cc(N2CC([N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001158721168 1027107839 /nfs/dbraw/zinc/10/78/39/1027107839.db2.gz VFKXATAAJBTLIE-OKILXGFUSA-N 1 2 356.426 2.749 20 5 FFBDLO Cc1cc(N2CC([N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001158721168 1027107842 /nfs/dbraw/zinc/10/78/42/1027107842.db2.gz VFKXATAAJBTLIE-OKILXGFUSA-N 1 2 356.426 2.749 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000780764522 1028799308 /nfs/dbraw/zinc/79/93/08/1028799308.db2.gz MQLAMTSQIWJZRA-WMZOPIPTSA-N 1 2 372.450 2.977 20 5 FFBDLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001156783180 1029343720 /nfs/dbraw/zinc/34/37/20/1029343720.db2.gz FYVVJIBOHLZIOI-UHFFFAOYSA-N 1 2 359.773 2.704 20 5 FFBDLO Cc1nc(N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)ccc1[N+](=O)[O-] ZINC001165983967 1030189129 /nfs/dbraw/zinc/18/91/29/1030189129.db2.gz JGCLUBTWLIDYRD-UHFFFAOYSA-N 1 2 369.425 2.569 20 5 FFBDLO COCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1ccco1 ZINC001534752924 1069679510 /nfs/dbraw/zinc/67/95/10/1069679510.db2.gz TWPOYRWUXWCXOR-CQSZACIVSA-N 1 2 370.365 2.881 20 5 FFBDLO COc1ccc(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC001225769530 1034401349 /nfs/dbraw/zinc/40/13/49/1034401349.db2.gz MHGKCBVSLVHBOR-QGZVFWFLSA-N 1 2 358.394 2.883 20 5 FFBDLO COc1ccc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC001225769530 1034401358 /nfs/dbraw/zinc/40/13/58/1034401358.db2.gz MHGKCBVSLVHBOR-QGZVFWFLSA-N 1 2 358.394 2.883 20 5 FFBDLO COc1cc([N+](=O)[O-])cnc1NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC001536172847 1069930786 /nfs/dbraw/zinc/93/07/86/1069930786.db2.gz IEXXVZQZKTWOAQ-CQSZACIVSA-N 1 2 364.789 2.893 20 5 FFBDLO Cc1ccc(N2CCC[C@H](Oc3nc(C4CC4)[nH]c(=O)c3[N+](=O)[O-])C2)[nH+]c1 ZINC001228610179 1036204916 /nfs/dbraw/zinc/20/49/16/1036204916.db2.gz QSWQFDZGOFTPOF-ZDUSSCGKSA-N 1 2 371.397 2.719 20 5 FFBDLO O=c1c2cccc(O)c2oc2cc(O)cc(O[C@@H]3C[NH+]4CCC3CC4)c21 ZINC001234741536 1037161837 /nfs/dbraw/zinc/16/18/37/1037161837.db2.gz JMYGPZOBWYRCQD-QGZVFWFLSA-N 1 2 353.374 2.830 20 5 FFBDLO COc1cc(N2CCC([N@@H+]3CCCC(=O)[C@@H](F)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093117 1038380147 /nfs/dbraw/zinc/38/01/47/1038380147.db2.gz GNGWWWBVQRUILE-HNNXBMFYSA-N 1 2 365.405 2.575 20 5 FFBDLO COc1cc(N2CCC([N@H+]3CCCC(=O)[C@@H](F)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093117 1038380160 /nfs/dbraw/zinc/38/01/60/1038380160.db2.gz GNGWWWBVQRUILE-HNNXBMFYSA-N 1 2 365.405 2.575 20 5 FFBDLO O=[N+]([O-])c1cc(F)cnc1-c1noc(C2CCN(c3cccc[nH+]3)CC2)n1 ZINC001247202917 1039656358 /nfs/dbraw/zinc/65/63/58/1039656358.db2.gz KCHBMEDREAKCHZ-UHFFFAOYSA-N 1 2 370.344 2.958 20 5 FFBDLO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)cc1 ZINC001255110741 1041146926 /nfs/dbraw/zinc/14/69/26/1041146926.db2.gz NEGZHZNFDUYPBO-UHFFFAOYSA-N 1 2 369.421 2.957 20 5 FFBDLO Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)cc1 ZINC001255110741 1041146937 /nfs/dbraw/zinc/14/69/37/1041146937.db2.gz NEGZHZNFDUYPBO-UHFFFAOYSA-N 1 2 369.421 2.957 20 5 FFBDLO C[NH+]1CCN(C(=O)c2ccc3[nH]c(-c4ccc([N+](=O)[O-])cc4)nc3c2)CC1 ZINC001250662114 1041287648 /nfs/dbraw/zinc/28/76/48/1041287648.db2.gz XBROGHKEMZBSTR-UHFFFAOYSA-N 1 2 365.393 2.526 20 5 FFBDLO CN(CCc1ccccc1[N+](=O)[O-])c1nnc([C@@H]2CCCC[N@@H+]2C)n1C ZINC001262904115 1041948122 /nfs/dbraw/zinc/94/81/22/1041948122.db2.gz HLLDDVJXLDXEPJ-INIZCTEOSA-N 1 2 358.446 2.559 20 5 FFBDLO CN(CCc1ccccc1[N+](=O)[O-])c1nnc([C@@H]2CCCC[N@H+]2C)n1C ZINC001262904115 1041948131 /nfs/dbraw/zinc/94/81/31/1041948131.db2.gz HLLDDVJXLDXEPJ-INIZCTEOSA-N 1 2 358.446 2.559 20 5 FFBDLO O=C(Nc1nccc(C2CC2)n1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001539375982 1070625714 /nfs/dbraw/zinc/62/57/14/1070625714.db2.gz JHLSTNOQCHBMIO-UHFFFAOYSA-N 1 2 350.338 2.700 20 5 FFBDLO C[C@@H](C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])n1cc[nH+]c1 ZINC001318012596 1045193215 /nfs/dbraw/zinc/19/32/15/1045193215.db2.gz GLEVXJNHEVONSJ-JTQLQIEISA-N 1 2 371.319 2.599 20 5 FFBDLO COc1c(C)c[nH+]c(CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c1C ZINC001323363402 1045561698 /nfs/dbraw/zinc/56/16/98/1045561698.db2.gz IXQSRWUBSFVKOQ-UHFFFAOYSA-N 1 2 356.382 2.841 20 5 FFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@](O)(C(F)F)C2)c(Br)c1 ZINC001327999378 1048130262 /nfs/dbraw/zinc/13/02/62/1048130262.db2.gz FYTZGPOAJMMWLH-GFCCVEGCSA-N 1 2 351.147 2.559 20 5 FFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@](O)(C(F)F)C2)c(Br)c1 ZINC001327999378 1048130267 /nfs/dbraw/zinc/13/02/67/1048130267.db2.gz FYTZGPOAJMMWLH-GFCCVEGCSA-N 1 2 351.147 2.559 20 5 FFBDLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001333427940 1048899015 /nfs/dbraw/zinc/89/90/15/1048899015.db2.gz CMEIYLGNBGECLD-ZDUSSCGKSA-N 1 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COC(=O)c1ccc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)o1 ZINC000849194114 1056795244 /nfs/dbraw/zinc/79/52/44/1056795244.db2.gz BBXZWYMYRCCZFD-UHFFFAOYSA-N 1 2 371.305 2.517 20 5 FFBDLO Nc1ccc(NC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC001450774464 1059052590 /nfs/dbraw/zinc/05/25/90/1059052590.db2.gz ZLJWEBKBLZAZRN-UHFFFAOYSA-N 1 2 366.381 2.738 20 5 FFBDLO CNc1ccc(C(=O)NCCNc2cc(C)[nH+]c(C(C)C)n2)cc1[N+](=O)[O-] ZINC000600363730 1060312598 /nfs/dbraw/zinc/31/25/98/1060312598.db2.gz AYLSACCUYRONNE-UHFFFAOYSA-N 1 2 372.429 2.700 20 5 FFBDLO Cc1cc(NCCNC(=O)Cc2cccc([N+](=O)[O-])c2C)nc(C(C)C)[nH+]1 ZINC000600367352 1060316569 /nfs/dbraw/zinc/31/65/69/1060316569.db2.gz SSCGWYODEDQVSG-UHFFFAOYSA-N 1 2 371.441 2.896 20 5 FFBDLO O=C(NC[C@H]1CCC2(CCC2)CO1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001462778363 1061771876 /nfs/dbraw/zinc/77/18/76/1061771876.db2.gz OIOBGVTVXOJHSK-OAHLLOKOSA-N 1 2 370.409 2.860 20 5 FFBDLO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC(c3c[nH+]cn3C)CC2)cc1[N+](=O)[O-] ZINC001463440895 1062105490 /nfs/dbraw/zinc/10/54/90/1062105490.db2.gz ZGHRVBDCCRWKLN-UHFFFAOYSA-N 1 2 373.369 2.565 20 5 FFBDLO O=C(NCc1ccc2c(c1)CCO2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001434964998 1062365491 /nfs/dbraw/zinc/36/54/91/1062365491.db2.gz AYKDPCCUKASKCU-UHFFFAOYSA-N 1 2 364.361 2.645 20 5 FFBDLO CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1ccc(Cl)nn1 ZINC001435205227 1062416848 /nfs/dbraw/zinc/41/68/48/1062416848.db2.gz HKKSMIQDGCMECY-UHFFFAOYSA-N 1 2 358.745 2.501 20 5 FFBDLO C[C@@H](NC(=O)c1cc(-n2cc[nH+]c2)ccc1O)c1cccc([N+](=O)[O-])c1 ZINC001464291193 1062528779 /nfs/dbraw/zinc/52/87/79/1062528779.db2.gz BIPXEORSWINYCK-GFCCVEGCSA-N 1 2 352.350 2.977 20 5 FFBDLO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1ccncc1 ZINC001545897387 1062705560 /nfs/dbraw/zinc/70/55/60/1062705560.db2.gz WXBJOTDGCPYVLO-UHFFFAOYSA-N 1 2 365.393 2.883 20 5 FFBDLO Cc1nc(C)c(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)s1 ZINC001465473409 1063107964 /nfs/dbraw/zinc/10/79/64/1063107964.db2.gz GJQLQXJPSHBPCI-UHFFFAOYSA-N 1 2 357.395 2.784 20 5 FFBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)OCCc1cn2c([nH+]1)CCCC2 ZINC001525601794 1063362444 /nfs/dbraw/zinc/36/24/44/1063362444.db2.gz BGCKCHSYOQCSBZ-UHFFFAOYSA-N 1 2 368.393 2.868 20 5 FFBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001441091624 1063395534 /nfs/dbraw/zinc/39/55/34/1063395534.db2.gz AOFIINZWLJEQFV-UHFFFAOYSA-N 1 2 350.378 2.982 20 5 FFBDLO C[NH+](C)Cc1csc(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)n1 ZINC001471916751 1064850748 /nfs/dbraw/zinc/85/07/48/1064850748.db2.gz LGFQFBRUWRCHNG-UHFFFAOYSA-N 1 2 359.411 2.524 20 5 FFBDLO CC(C)c1[nH]cc(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[nH+]1 ZINC001472093122 1064927369 /nfs/dbraw/zinc/92/73/69/1064927369.db2.gz SAXWNCVXZUNUMI-UHFFFAOYSA-N 1 2 371.441 2.974 20 5 FFBDLO CC(C)c1[nH]c(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c[nH+]1 ZINC001472093122 1064927381 /nfs/dbraw/zinc/92/73/81/1064927381.db2.gz SAXWNCVXZUNUMI-UHFFFAOYSA-N 1 2 371.441 2.974 20 5 FFBDLO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC001582803762 1079109413 /nfs/dbraw/zinc/10/94/13/1079109413.db2.gz UDUYAQUXDYQQCS-UHFFFAOYSA-N 1 2 370.800 2.987 20 5 FFBDLO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCc2ccc(Cl)cc2C1 ZINC001582803762 1079109421 /nfs/dbraw/zinc/10/94/21/1079109421.db2.gz UDUYAQUXDYQQCS-UHFFFAOYSA-N 1 2 370.800 2.987 20 5 FFBDLO O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001583337489 1079195210 /nfs/dbraw/zinc/19/52/10/1079195210.db2.gz FEYQPZMJQXRRKX-SFHVURJKSA-N 1 2 366.377 2.728 20 5 FFBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC=C[C@@H]2CO)cc1OC ZINC001560098923 1076226168 /nfs/dbraw/zinc/22/61/68/1076226168.db2.gz WNNGWEAWYFSVLU-DZGCQCFKSA-N 1 2 350.415 2.761 20 5 FFBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC=C[C@@H]2CO)cc1OC ZINC001560098923 1076226171 /nfs/dbraw/zinc/22/61/71/1076226171.db2.gz WNNGWEAWYFSVLU-DZGCQCFKSA-N 1 2 350.415 2.761 20 5 FFBDLO CCOC(=O)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC001560187329 1076243602 /nfs/dbraw/zinc/24/36/02/1076243602.db2.gz FSYBPPUNQGSDSI-SNVBAGLBSA-N 1 2 357.204 2.742 20 5 FFBDLO CCOC(=O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC001560187329 1076243604 /nfs/dbraw/zinc/24/36/04/1076243604.db2.gz FSYBPPUNQGSDSI-SNVBAGLBSA-N 1 2 357.204 2.742 20 5 FFBDLO C[C@@H]([NH2+][C@@H](CO)c1cc(F)ccc1F)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC001560224759 1076250652 /nfs/dbraw/zinc/25/06/52/1076250652.db2.gz FDIDZUTVCLAHRW-BMIGLBTASA-N 1 2 365.336 2.523 20 5 FFBDLO COc1c(O)ccc(C[NH2+]Cc2ccc(Br)cn2)c1[N+](=O)[O-] ZINC001560973717 1076315092 /nfs/dbraw/zinc/31/50/92/1076315092.db2.gz CLTUQSVXGDPEJH-UHFFFAOYSA-N 1 2 368.187 2.756 20 5 FFBDLO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001586484156 1079637171 /nfs/dbraw/zinc/63/71/71/1079637171.db2.gz LZHWZUGJTZKRMU-RDTXWAMCSA-N 1 2 369.421 2.941 20 5 FFBDLO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001586484156 1079637174 /nfs/dbraw/zinc/63/71/74/1079637174.db2.gz LZHWZUGJTZKRMU-RDTXWAMCSA-N 1 2 369.421 2.941 20 5 FFBDLO O=C(NCc1cccnc1-n1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000029917758 249352162 /nfs/dbraw/zinc/35/21/62/249352162.db2.gz RJWYLHWTNWLRPJ-UHFFFAOYSA-N 1 2 357.757 2.759 20 5 FFBDLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000103498092 250156627 /nfs/dbraw/zinc/15/66/27/250156627.db2.gz UHJJYTGEPNNYJV-UHFFFAOYSA-N 1 2 361.423 2.544 20 5 FFBDLO Cc1ccc(S(=O)(=O)N2CC[N@H+](C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000103498092 250156629 /nfs/dbraw/zinc/15/66/29/250156629.db2.gz UHJJYTGEPNNYJV-UHFFFAOYSA-N 1 2 361.423 2.544 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000275486198 256014204 /nfs/dbraw/zinc/01/42/04/256014204.db2.gz OXMZQQIWCPJOQZ-QMTHXVAHSA-N 1 2 355.822 2.668 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000275486198 256014207 /nfs/dbraw/zinc/01/42/07/256014207.db2.gz OXMZQQIWCPJOQZ-QMTHXVAHSA-N 1 2 355.822 2.668 20 5 FFBDLO Cc1nc(N2CCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000276533572 256108281 /nfs/dbraw/zinc/10/82/81/256108281.db2.gz CHTCIZAOTULLTB-UHFFFAOYSA-N 1 2 350.382 2.568 20 5 FFBDLO CCOc1cc(C[N@@H+]2CCC[C@@H]2C(=O)NCc2ccco2)ccc1[N+](=O)[O-] ZINC000276942787 256144921 /nfs/dbraw/zinc/14/49/21/256144921.db2.gz SMKXGOXFHWYUMU-QGZVFWFLSA-N 1 2 373.409 2.867 20 5 FFBDLO CCOc1cc(C[N@H+]2CCC[C@@H]2C(=O)NCc2ccco2)ccc1[N+](=O)[O-] ZINC000276942787 256144922 /nfs/dbraw/zinc/14/49/22/256144922.db2.gz SMKXGOXFHWYUMU-QGZVFWFLSA-N 1 2 373.409 2.867 20 5 FFBDLO CC[N@H+](Cc1nc(Cc2cc(OC)cc(OC)c2[N+](=O)[O-])no1)C1CC1 ZINC000278246510 256291422 /nfs/dbraw/zinc/29/14/22/256291422.db2.gz ZLUWEAOZULQFCU-UHFFFAOYSA-N 1 2 362.386 2.570 20 5 FFBDLO CC[N@@H+](Cc1nc(Cc2cc(OC)cc(OC)c2[N+](=O)[O-])no1)C1CC1 ZINC000278246510 256291424 /nfs/dbraw/zinc/29/14/24/256291424.db2.gz ZLUWEAOZULQFCU-UHFFFAOYSA-N 1 2 362.386 2.570 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000284389403 256927334 /nfs/dbraw/zinc/92/73/34/256927334.db2.gz MQAKADLGLAIRQM-SUMWQHHRSA-N 1 2 358.398 2.913 20 5 FFBDLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000286305646 257030318 /nfs/dbraw/zinc/03/03/18/257030318.db2.gz CQIJJNHLYZBDLX-AWEZNQCLSA-N 1 2 362.304 2.531 20 5 FFBDLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000286305646 257030319 /nfs/dbraw/zinc/03/03/19/257030319.db2.gz CQIJJNHLYZBDLX-AWEZNQCLSA-N 1 2 362.304 2.531 20 5 FFBDLO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000286732784 257051992 /nfs/dbraw/zinc/05/19/92/257051992.db2.gz RSSGEWYUOKTVJK-UHFFFAOYSA-N 1 2 371.397 2.658 20 5 FFBDLO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000286732784 257051993 /nfs/dbraw/zinc/05/19/93/257051993.db2.gz RSSGEWYUOKTVJK-UHFFFAOYSA-N 1 2 371.397 2.658 20 5 FFBDLO C[C@H]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@@H]1n1cc[nH+]c1 ZINC000287927084 257130384 /nfs/dbraw/zinc/13/03/84/257130384.db2.gz QPOFSYBLHRXLSE-NHYWBVRUSA-N 1 2 354.370 2.528 20 5 FFBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000289778342 257298619 /nfs/dbraw/zinc/29/86/19/257298619.db2.gz LUSYTCOODWCLBU-UHFFFAOYSA-N 1 2 370.413 2.610 20 5 FFBDLO O=[N+]([O-])c1ccc(Nc2cnn(CC[NH+]3CCOCC3)c2)c(Cl)c1 ZINC000301203034 258033968 /nfs/dbraw/zinc/03/39/68/258033968.db2.gz QGGZFUDPJLYRNB-UHFFFAOYSA-N 1 2 351.794 2.521 20 5 FFBDLO Cc1ccc(CCNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])c[nH+]1 ZINC000301290913 258040305 /nfs/dbraw/zinc/04/03/05/258040305.db2.gz WQNHQCVOVAUWAQ-UHFFFAOYSA-N 1 2 371.365 2.949 20 5 FFBDLO CCN(CC)c1ccc(Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)c[nH+]1 ZINC000302592578 258106496 /nfs/dbraw/zinc/10/64/96/258106496.db2.gz AOMOIVGKUABSOZ-UHFFFAOYSA-N 1 2 364.427 2.983 20 5 FFBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1NCCCc1[nH+]c2ccccc2n1C ZINC000301561351 258055902 /nfs/dbraw/zinc/05/59/02/258055902.db2.gz JALDLYPNEPMAAV-UHFFFAOYSA-N 1 2 367.409 2.886 20 5 FFBDLO O=[N+]([O-])c1cnc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(Br)c1 ZINC000301622085 258059313 /nfs/dbraw/zinc/05/93/13/258059313.db2.gz DNYKHXCGQYEVTR-GFCCVEGCSA-N 1 2 365.187 2.805 20 5 FFBDLO CC1(C)C[NH+]=C(N2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)S1 ZINC000301741614 258065717 /nfs/dbraw/zinc/06/57/17/258065717.db2.gz LFZWMEKRLWIMSB-UHFFFAOYSA-N 1 2 355.851 2.647 20 5 FFBDLO COc1cc(N2CCN(C3=[NH+]CC(C)(C)S3)CC2)ccc1[N+](=O)[O-] ZINC000301748300 258066116 /nfs/dbraw/zinc/06/61/16/258066116.db2.gz SBEHDHSUOZJBDB-UHFFFAOYSA-N 1 2 350.444 2.607 20 5 FFBDLO CS(=O)(=O)c1cccc(Nc2ccc(N3CCCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000301907146 258074515 /nfs/dbraw/zinc/07/45/15/258074515.db2.gz QZCDHASQASRWGZ-UHFFFAOYSA-N 1 2 362.411 2.737 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000330803470 258171060 /nfs/dbraw/zinc/17/10/60/258171060.db2.gz KDLNAAZVXLCWTR-AHIWAGSCSA-N 1 2 365.430 2.676 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000330803470 258171061 /nfs/dbraw/zinc/17/10/61/258171061.db2.gz KDLNAAZVXLCWTR-AHIWAGSCSA-N 1 2 365.430 2.676 20 5 FFBDLO Cc1c(CNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000332124662 258215033 /nfs/dbraw/zinc/21/50/33/258215033.db2.gz CTPPXNYLDPOORK-GUYCJALGSA-N 1 2 357.414 2.892 20 5 FFBDLO Cc1sc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1[N+](=O)[O-] ZINC000032196314 506233215 /nfs/dbraw/zinc/23/32/15/506233215.db2.gz FGYUEHHSSFJCST-UHFFFAOYSA-N 1 2 367.471 2.730 20 5 FFBDLO C[N@@H+]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@H](c2ccccc2)C1 ZINC000032313888 506241257 /nfs/dbraw/zinc/24/12/57/506241257.db2.gz RZSNWLFJHUURRB-KRWDZBQOSA-N 1 2 365.393 2.600 20 5 FFBDLO C[N@H+]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@H](c2ccccc2)C1 ZINC000032313888 506241262 /nfs/dbraw/zinc/24/12/62/506241262.db2.gz RZSNWLFJHUURRB-KRWDZBQOSA-N 1 2 365.393 2.600 20 5 FFBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000368975858 512165740 /nfs/dbraw/zinc/16/57/40/512165740.db2.gz SLMZVNQUQQWCOI-WQVCFCJDSA-N 1 2 372.450 2.804 20 5 FFBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000368975858 512165743 /nfs/dbraw/zinc/16/57/43/512165743.db2.gz SLMZVNQUQQWCOI-WQVCFCJDSA-N 1 2 372.450 2.804 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000377301222 512207333 /nfs/dbraw/zinc/20/73/33/512207333.db2.gz ZSUUZRLSGYUDEN-GFCCVEGCSA-N 1 2 359.386 2.748 20 5 FFBDLO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000373243370 512237523 /nfs/dbraw/zinc/23/75/23/512237523.db2.gz OBEYEFLIGBZION-LLVKDONJSA-N 1 2 368.315 2.689 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000369131674 512241451 /nfs/dbraw/zinc/24/14/51/512241451.db2.gz VBZKWWYCXHXFTN-SNVBAGLBSA-N 1 2 366.780 2.679 20 5 FFBDLO CC(C)(C)n1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cn1 ZINC000065923053 506394487 /nfs/dbraw/zinc/39/44/87/506394487.db2.gz AXKLJNQNLIUXJY-UHFFFAOYSA-N 1 2 354.370 2.984 20 5 FFBDLO Cc1noc(C2CC[NH+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)n1 ZINC000053640304 506420158 /nfs/dbraw/zinc/42/01/58/506420158.db2.gz JLWJPZXQTFBXBW-GFCCVEGCSA-N 1 2 373.413 2.801 20 5 FFBDLO Cc1[nH+]c2ccccc2n1CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000007129407 506536830 /nfs/dbraw/zinc/53/68/30/506536830.db2.gz JCGWGKQRCSZZSR-UHFFFAOYSA-N 1 2 374.422 2.769 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)Cc1scnc1C ZINC000066566125 506557657 /nfs/dbraw/zinc/55/76/57/506557657.db2.gz QRWUJRQRYULZPG-LLVKDONJSA-N 1 2 364.427 2.827 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1scnc1C ZINC000066566125 506557661 /nfs/dbraw/zinc/55/76/61/506557661.db2.gz QRWUJRQRYULZPG-LLVKDONJSA-N 1 2 364.427 2.827 20 5 FFBDLO CCOc1cc([N+](=O)[O-])c(C(=O)NCc2cn3ccccc3[nH+]2)cc1OC ZINC000008279318 506638821 /nfs/dbraw/zinc/63/88/21/506638821.db2.gz DQEZWNDFBKXBLP-UHFFFAOYSA-N 1 2 370.365 2.580 20 5 FFBDLO O=C(C1CCCCC1)N1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000066865777 506671382 /nfs/dbraw/zinc/67/13/82/506671382.db2.gz MIWTVRVGRMGPBH-UHFFFAOYSA-N 1 2 361.442 2.698 20 5 FFBDLO O=C(Nc1ccc2nccnc2c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000055442864 506753895 /nfs/dbraw/zinc/75/38/95/506753895.db2.gz BDTMBPZDKGGXNI-UHFFFAOYSA-N 1 2 360.333 2.976 20 5 FFBDLO Cc1[nH]c2ccc(NC(=O)[C@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)cc2[nH+]1 ZINC000010895783 506756577 /nfs/dbraw/zinc/75/65/77/506756577.db2.gz QRUHOUSCWKPMAK-JTQLQIEISA-N 1 2 367.365 2.537 20 5 FFBDLO CCN(CC)c1ccc(CNC(=O)NCc2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000067536568 506915302 /nfs/dbraw/zinc/91/53/02/506915302.db2.gz AFWGRNDYNLYCSR-UHFFFAOYSA-N 1 2 357.414 2.835 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)c1 ZINC000067790284 507009677 /nfs/dbraw/zinc/00/96/77/507009677.db2.gz KEHKQSVYVVCFNO-UHFFFAOYSA-N 1 2 360.757 2.835 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CCOc1ccccc1F ZINC000015045916 507013346 /nfs/dbraw/zinc/01/33/46/507013346.db2.gz WFHRRZWUNLGKOZ-UHFFFAOYSA-N 1 2 361.373 2.992 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CCOc1ccccc1F ZINC000015045916 507013351 /nfs/dbraw/zinc/01/33/51/507013351.db2.gz WFHRRZWUNLGKOZ-UHFFFAOYSA-N 1 2 361.373 2.992 20 5 FFBDLO C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000015304800 507031147 /nfs/dbraw/zinc/03/11/47/507031147.db2.gz PJUQEHPMHFTVKT-UHFFFAOYSA-N 1 2 372.377 2.865 20 5 FFBDLO C[N@@H+](Cc1ccc2c(c1)OCCO2)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000015304800 507031155 /nfs/dbraw/zinc/03/11/55/507031155.db2.gz PJUQEHPMHFTVKT-UHFFFAOYSA-N 1 2 372.377 2.865 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000016591568 507098763 /nfs/dbraw/zinc/09/87/63/507098763.db2.gz XVGMQPMLJJOXNY-JTQLQIEISA-N 1 2 361.320 2.816 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000016591568 507098768 /nfs/dbraw/zinc/09/87/68/507098768.db2.gz XVGMQPMLJJOXNY-JTQLQIEISA-N 1 2 361.320 2.816 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000016591603 507098975 /nfs/dbraw/zinc/09/89/75/507098975.db2.gz ZCTMYBFEEQVKRH-SNVBAGLBSA-N 1 2 361.320 2.816 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000016591603 507098978 /nfs/dbraw/zinc/09/89/78/507098978.db2.gz ZCTMYBFEEQVKRH-SNVBAGLBSA-N 1 2 361.320 2.816 20 5 FFBDLO CN(C)c1ccc(CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])c[nH+]1 ZINC000046484282 507142623 /nfs/dbraw/zinc/14/26/23/507142623.db2.gz MHGODIRXGBPKJC-UHFFFAOYSA-N 1 2 355.398 2.560 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000018235843 507146639 /nfs/dbraw/zinc/14/66/39/507146639.db2.gz DPOBWSMNYQZWPB-MRXNPFEDSA-N 1 2 354.341 2.987 20 5 FFBDLO COc1cccc(CNC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000046599528 507156802 /nfs/dbraw/zinc/15/68/02/507156802.db2.gz LQSWTIWOZOPXBE-CQSZACIVSA-N 1 2 357.410 2.740 20 5 FFBDLO COc1cccc(CNC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000046599528 507156808 /nfs/dbraw/zinc/15/68/08/507156808.db2.gz LQSWTIWOZOPXBE-CQSZACIVSA-N 1 2 357.410 2.740 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000023776249 507373534 /nfs/dbraw/zinc/37/35/34/507373534.db2.gz CCXXHJOUDAZSAI-SFHVURJKSA-N 1 2 368.368 2.916 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000023774011 507373592 /nfs/dbraw/zinc/37/35/92/507373592.db2.gz WCTGLNLFOZNSEJ-SFHVURJKSA-N 1 2 350.378 2.777 20 5 FFBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000048128861 507459904 /nfs/dbraw/zinc/45/99/04/507459904.db2.gz SUJRLBCCPIHVEN-JTQLQIEISA-N 1 2 372.303 2.551 20 5 FFBDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@H]1c1ccc(F)cc1 ZINC000371364572 512354617 /nfs/dbraw/zinc/35/46/17/512354617.db2.gz OIDRZNDLRCGBMW-RHSMWYFYSA-N 1 2 359.357 2.615 20 5 FFBDLO C[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@H]1c1ccc(F)cc1 ZINC000371364572 512354622 /nfs/dbraw/zinc/35/46/22/512354622.db2.gz OIDRZNDLRCGBMW-RHSMWYFYSA-N 1 2 359.357 2.615 20 5 FFBDLO O=C(NCCCn1cc[nH+]c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000072509197 507800371 /nfs/dbraw/zinc/80/03/71/507800371.db2.gz QFLWOWVZETUVRV-UHFFFAOYSA-N 1 2 357.414 2.602 20 5 FFBDLO Cc1cc(C(=O)N2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)c(C)o1 ZINC000052242427 507803782 /nfs/dbraw/zinc/80/37/82/507803782.db2.gz WDHUDHHCKHGYPV-UHFFFAOYSA-N 1 2 373.409 2.641 20 5 FFBDLO Cc1cc(C[NH+]2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)CC2)no1 ZINC000079830595 508004624 /nfs/dbraw/zinc/00/46/24/508004624.db2.gz DAXVDNAUDYCPIZ-UHFFFAOYSA-N 1 2 353.382 2.762 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(O)c1 ZINC000080924130 508112935 /nfs/dbraw/zinc/11/29/35/508112935.db2.gz GLJNTFCNPHFNDM-GFCCVEGCSA-N 1 2 359.382 2.768 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(O)c1 ZINC000080924130 508112936 /nfs/dbraw/zinc/11/29/36/508112936.db2.gz GLJNTFCNPHFNDM-GFCCVEGCSA-N 1 2 359.382 2.768 20 5 FFBDLO CN(C)C(=O)COc1ccccc1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000093338334 508140544 /nfs/dbraw/zinc/14/05/44/508140544.db2.gz SKZITRWYTKMVCY-UHFFFAOYSA-N 1 2 369.421 2.620 20 5 FFBDLO CN(C)C(=O)COc1ccccc1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000093338334 508140548 /nfs/dbraw/zinc/14/05/48/508140548.db2.gz SKZITRWYTKMVCY-UHFFFAOYSA-N 1 2 369.421 2.620 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000075890498 508141473 /nfs/dbraw/zinc/14/14/73/508141473.db2.gz RVUJLTUVDUEBSB-GOSISDBHSA-N 1 2 363.458 2.679 20 5 FFBDLO CC[C@H]1C[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CCN1CC(F)F ZINC000093767124 508154218 /nfs/dbraw/zinc/15/42/18/508154218.db2.gz IFHQMPYYZVGMTA-ZDUSSCGKSA-N 1 2 373.400 2.773 20 5 FFBDLO CC[C@H]1C[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CCN1CC(F)F ZINC000093767124 508154222 /nfs/dbraw/zinc/15/42/22/508154222.db2.gz IFHQMPYYZVGMTA-ZDUSSCGKSA-N 1 2 373.400 2.773 20 5 FFBDLO Cc1cccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1[N+](=O)[O-] ZINC000097008430 508217712 /nfs/dbraw/zinc/21/77/12/508217712.db2.gz FCQONMCAGZCAAS-UHFFFAOYSA-N 1 2 355.394 2.988 20 5 FFBDLO CN(C)c1[nH+]cccc1CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000076721507 508246273 /nfs/dbraw/zinc/24/62/73/508246273.db2.gz AFFLBWIUHHGBKR-UHFFFAOYSA-N 1 2 355.398 2.560 20 5 FFBDLO CCOC(=O)c1ccnc(NCc2cn3ccc(C)cc3[nH+]2)c1[N+](=O)[O-] ZINC000077932197 508393487 /nfs/dbraw/zinc/39/34/87/508393487.db2.gz OHFQUBHCJBRHNZ-UHFFFAOYSA-N 1 2 355.354 2.735 20 5 FFBDLO O=C(NCCc1cn2ccccc2[nH+]1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000121898206 508444124 /nfs/dbraw/zinc/44/41/24/508444124.db2.gz YDCKUZUXLAWOIA-UHFFFAOYSA-N 1 2 365.393 2.553 20 5 FFBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000367237495 512401397 /nfs/dbraw/zinc/40/13/97/512401397.db2.gz LAQXUBRTKFHXMA-SUMWQHHRSA-N 1 2 372.450 2.644 20 5 FFBDLO COc1cccc(CN(C)C(=O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153093824 508546647 /nfs/dbraw/zinc/54/66/47/508546647.db2.gz JISZGSAKCSPGFD-UHFFFAOYSA-N 1 2 369.421 2.620 20 5 FFBDLO COc1cccc(CN(C)C(=O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153093824 508546651 /nfs/dbraw/zinc/54/66/51/508546651.db2.gz JISZGSAKCSPGFD-UHFFFAOYSA-N 1 2 369.421 2.620 20 5 FFBDLO CCC1(CO)CC[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000128115370 508549931 /nfs/dbraw/zinc/54/99/31/508549931.db2.gz GSSDTRJLQMBJOT-UHFFFAOYSA-N 1 2 355.822 2.671 20 5 FFBDLO COc1ccccc1[C@@H](C)NC(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153246429 508562792 /nfs/dbraw/zinc/56/27/92/508562792.db2.gz SENLTJVFXOJVES-CQSZACIVSA-N 1 2 369.421 2.839 20 5 FFBDLO COc1ccccc1[C@@H](C)NC(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153246429 508562794 /nfs/dbraw/zinc/56/27/94/508562794.db2.gz SENLTJVFXOJVES-CQSZACIVSA-N 1 2 369.421 2.839 20 5 FFBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000153297245 508568659 /nfs/dbraw/zinc/56/86/59/508568659.db2.gz NAMUXYBUAZHHKZ-RBUKOAKNSA-N 1 2 373.453 2.729 20 5 FFBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000153297245 508568662 /nfs/dbraw/zinc/56/86/62/508568662.db2.gz NAMUXYBUAZHHKZ-RBUKOAKNSA-N 1 2 373.453 2.729 20 5 FFBDLO C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153350883 508574826 /nfs/dbraw/zinc/57/48/26/508574826.db2.gz LCVAKPTZUDOPAD-HNNXBMFYSA-N 1 2 365.433 2.926 20 5 FFBDLO C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153350883 508574828 /nfs/dbraw/zinc/57/48/28/508574828.db2.gz LCVAKPTZUDOPAD-HNNXBMFYSA-N 1 2 365.433 2.926 20 5 FFBDLO COc1cc(C[NH+]2CCN(c3nc(C)ccc3[N+](=O)[O-])CC2)cc(OC)c1 ZINC000128398284 508587282 /nfs/dbraw/zinc/58/72/82/508587282.db2.gz JWADXICPGGBFHT-UHFFFAOYSA-N 1 2 372.425 2.638 20 5 FFBDLO Cc1ccc(C)c(NC(=O)C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000118867140 508688395 /nfs/dbraw/zinc/68/83/95/508688395.db2.gz DJCPZHQRZARESZ-HNNXBMFYSA-N 1 2 369.425 2.732 20 5 FFBDLO Cc1ccc(C)c(NC(=O)C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000118867140 508688400 /nfs/dbraw/zinc/68/84/00/508688400.db2.gz DJCPZHQRZARESZ-HNNXBMFYSA-N 1 2 369.425 2.732 20 5 FFBDLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1C ZINC000118866393 508688607 /nfs/dbraw/zinc/68/86/07/508688607.db2.gz DDWNXHVCBLQWSP-INIZCTEOSA-N 1 2 369.425 2.732 20 5 FFBDLO Cc1ccc(NC(=O)C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1C ZINC000118866393 508688608 /nfs/dbraw/zinc/68/86/08/508688608.db2.gz DDWNXHVCBLQWSP-INIZCTEOSA-N 1 2 369.425 2.732 20 5 FFBDLO CCc1ccc(NC(=O)C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000118867137 508688693 /nfs/dbraw/zinc/68/86/93/508688693.db2.gz OTIVEGYACSWKLB-MRXNPFEDSA-N 1 2 369.425 2.677 20 5 FFBDLO 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ZINC000159652057 508871028 /nfs/dbraw/zinc/87/10/28/508871028.db2.gz QKEYANMRWQEOAR-UHFFFAOYSA-N 1 2 356.382 2.529 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000120141833 508937301 /nfs/dbraw/zinc/93/73/01/508937301.db2.gz COEYQXJJBUQCEQ-UHFFFAOYSA-N 1 2 369.425 2.956 20 5 FFBDLO Cn1cc(Cl)cc1C[N@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000120181586 508944794 /nfs/dbraw/zinc/94/47/94/508944794.db2.gz RSTJIAAXQKUHOZ-MRXNPFEDSA-N 1 2 362.817 2.824 20 5 FFBDLO Cn1cc(Cl)cc1C[N@@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000120181586 508944797 /nfs/dbraw/zinc/94/47/97/508944797.db2.gz RSTJIAAXQKUHOZ-MRXNPFEDSA-N 1 2 362.817 2.824 20 5 FFBDLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000160348695 508974530 /nfs/dbraw/zinc/97/45/30/508974530.db2.gz XAUXLCJQAFDWHT-HNNXBMFYSA-N 1 2 359.357 2.976 20 5 FFBDLO NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000160348695 508974534 /nfs/dbraw/zinc/97/45/34/508974534.db2.gz XAUXLCJQAFDWHT-HNNXBMFYSA-N 1 2 359.357 2.976 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccncc2)c([N+](=O)[O-])c1 ZINC000125384388 508975423 /nfs/dbraw/zinc/97/54/23/508975423.db2.gz NZOJQLHKEYALQE-INIZCTEOSA-N 1 2 356.382 2.774 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccncc2)c([N+](=O)[O-])c1 ZINC000125384388 508975426 /nfs/dbraw/zinc/97/54/26/508975426.db2.gz NZOJQLHKEYALQE-INIZCTEOSA-N 1 2 356.382 2.774 20 5 FFBDLO O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000160957903 509053104 /nfs/dbraw/zinc/05/31/04/509053104.db2.gz ZEVOPIRCVZILBC-SFHVURJKSA-N 1 2 373.384 2.537 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000126046656 509058155 /nfs/dbraw/zinc/05/81/55/509058155.db2.gz YRVHGGNWXLEPDU-CQSZACIVSA-N 1 2 364.427 2.851 20 5 FFBDLO CN(CCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000133041686 509107385 /nfs/dbraw/zinc/10/73/85/509107385.db2.gz RRRFNFPMNUJHAG-UHFFFAOYSA-N 1 2 357.414 2.554 20 5 FFBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121318308 509166078 /nfs/dbraw/zinc/16/60/78/509166078.db2.gz WDPPJSFFZCCRGB-OAHLLOKOSA-N 1 2 359.407 2.762 20 5 FFBDLO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccsc2)CC1 ZINC000198973422 509233252 /nfs/dbraw/zinc/23/32/52/509233252.db2.gz VRUGZAHIQZAIPO-UHFFFAOYSA-N 1 2 374.466 2.803 20 5 FFBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000264063944 509311913 /nfs/dbraw/zinc/31/19/13/509311913.db2.gz DBHMFMBOUATXSH-UHFFFAOYSA-N 1 2 360.267 2.765 20 5 FFBDLO Cc1[nH+]c[nH]c1CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000267026446 509314098 /nfs/dbraw/zinc/31/40/98/509314098.db2.gz AFSFOMKNQIWPIM-UHFFFAOYSA-N 1 2 371.319 2.764 20 5 FFBDLO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)CO1 ZINC000248466748 509334807 /nfs/dbraw/zinc/33/48/07/509334807.db2.gz SMYALAAXMIJQMP-SUMDDJOVSA-N 1 2 372.421 2.797 20 5 FFBDLO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)CO1 ZINC000248466748 509334816 /nfs/dbraw/zinc/33/48/16/509334816.db2.gz SMYALAAXMIJQMP-SUMDDJOVSA-N 1 2 372.421 2.797 20 5 FFBDLO COC(=O)[C@@H](c1ccccc1C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000163163825 509345870 /nfs/dbraw/zinc/34/58/70/509345870.db2.gz KOQDCDRWKQOBLH-KBXCAEBGSA-N 1 2 370.409 2.699 20 5 FFBDLO COC(=O)[C@@H](c1ccccc1C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000163163825 509345877 /nfs/dbraw/zinc/34/58/77/509345877.db2.gz KOQDCDRWKQOBLH-KBXCAEBGSA-N 1 2 370.409 2.699 20 5 FFBDLO CCc1cc(NCC2(O)CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000264241240 509406454 /nfs/dbraw/zinc/40/64/54/509406454.db2.gz VAJOABJOZCMMTG-UHFFFAOYSA-N 1 2 358.398 2.568 20 5 FFBDLO COc1ccc(CNC(=O)NCCCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000264266483 509423078 /nfs/dbraw/zinc/42/30/78/509423078.db2.gz GFLIWFQWKNBATI-UHFFFAOYSA-N 1 2 373.413 2.690 20 5 FFBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCc3cc(Br)ccc3C2)n1 ZINC000192256660 509428876 /nfs/dbraw/zinc/42/88/76/509428876.db2.gz OGRYPVXLJFYHPB-UHFFFAOYSA-N 1 2 351.204 2.612 20 5 FFBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCc3cc(Br)ccc3C2)n1 ZINC000192256660 509428881 /nfs/dbraw/zinc/42/88/81/509428881.db2.gz OGRYPVXLJFYHPB-UHFFFAOYSA-N 1 2 351.204 2.612 20 5 FFBDLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000248882664 509526788 /nfs/dbraw/zinc/52/67/88/509526788.db2.gz PXSVXAQENMPCRL-OCCSQVGLSA-N 1 2 350.419 2.596 20 5 FFBDLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000248882664 509526795 /nfs/dbraw/zinc/52/67/95/509526795.db2.gz PXSVXAQENMPCRL-OCCSQVGLSA-N 1 2 350.419 2.596 20 5 FFBDLO O=[N+]([O-])c1ccc2oc(C[NH+]3CCN(c4cccc(O)c4)CC3)nc2c1 ZINC000267561330 509542282 /nfs/dbraw/zinc/54/22/82/509542282.db2.gz AUAFWCBCRGDCHH-UHFFFAOYSA-N 1 2 354.366 2.764 20 5 FFBDLO CCc1ccc(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000173412646 509583383 /nfs/dbraw/zinc/58/33/83/509583383.db2.gz VTFHQIUHQMEWCB-UHFFFAOYSA-N 1 2 351.366 2.668 20 5 FFBDLO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000183117003 509607925 /nfs/dbraw/zinc/60/79/25/509607925.db2.gz MTUWMVOSKSQXQB-LBPRGKRZSA-N 1 2 368.390 2.681 20 5 FFBDLO C[C@H]1CO[C@H](c2cccc(Cl)c2)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000189510394 509610897 /nfs/dbraw/zinc/61/08/97/509610897.db2.gz FROOFUSCVFKVHA-LRDDRELGSA-N 1 2 350.806 2.907 20 5 FFBDLO C[C@H]1CO[C@H](c2cccc(Cl)c2)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000189510394 509610900 /nfs/dbraw/zinc/61/09/00/509610900.db2.gz FROOFUSCVFKVHA-LRDDRELGSA-N 1 2 350.806 2.907 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3noc(-c4ccccc4)n3)C2)nc1 ZINC000173468888 509621602 /nfs/dbraw/zinc/62/16/02/509621602.db2.gz WRWMDPWBIFWAKZ-CQSZACIVSA-N 1 2 366.381 2.726 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3noc(-c4ccccc4)n3)C2)nc1 ZINC000173468888 509621607 /nfs/dbraw/zinc/62/16/07/509621607.db2.gz WRWMDPWBIFWAKZ-CQSZACIVSA-N 1 2 366.381 2.726 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(C)(CO)CC1 ZINC000186891816 509932774 /nfs/dbraw/zinc/93/27/74/509932774.db2.gz YBTXQQYWCBYYRI-LLVKDONJSA-N 1 2 355.822 2.670 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCC(C)(CO)CC1 ZINC000186906596 509940794 /nfs/dbraw/zinc/94/07/94/509940794.db2.gz TVKLMBOIOGXPOE-LLVKDONJSA-N 1 2 355.822 2.670 20 5 FFBDLO COc1cc(NC(=O)C[N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)cc(OC)c1 ZINC000180499894 509956834 /nfs/dbraw/zinc/95/68/34/509956834.db2.gz YISPVWVHNWESRU-UHFFFAOYSA-N 1 2 373.409 2.991 20 5 FFBDLO COc1cc(NC(=O)C[N@@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)cc(OC)c1 ZINC000180499894 509956835 /nfs/dbraw/zinc/95/68/35/509956835.db2.gz YISPVWVHNWESRU-UHFFFAOYSA-N 1 2 373.409 2.991 20 5 FFBDLO Cc1cc(NC(=O)N2CC[NH+](Cc3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000193547485 509959579 /nfs/dbraw/zinc/95/95/79/509959579.db2.gz YTCCDDSVSUDSBZ-UHFFFAOYSA-N 1 2 355.398 2.648 20 5 FFBDLO O=C(C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000193578077 509971965 /nfs/dbraw/zinc/97/19/65/509971965.db2.gz BXMJUXHRINPAQT-NSHDSACASA-N 1 2 363.805 2.789 20 5 FFBDLO O=C(C[N@H+]1CCC[C@H](c2cc[nH]n2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000193578077 509971974 /nfs/dbraw/zinc/97/19/74/509971974.db2.gz BXMJUXHRINPAQT-NSHDSACASA-N 1 2 363.805 2.789 20 5 FFBDLO COC1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCCC1 ZINC000187027574 510014841 /nfs/dbraw/zinc/01/48/41/510014841.db2.gz DQEVOAAWNRVCPV-UHFFFAOYSA-N 1 2 358.398 2.860 20 5 FFBDLO Cc1cc(NC(=O)[C@H](C)[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)on1 ZINC000174244723 510022308 /nfs/dbraw/zinc/02/23/08/510022308.db2.gz PXLMEORVQATZKK-ZDUSSCGKSA-N 1 2 374.397 2.762 20 5 FFBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000180781266 510104706 /nfs/dbraw/zinc/10/47/06/510104706.db2.gz GGWNUESXFXWJCM-ZDUSSCGKSA-N 1 2 367.471 2.546 20 5 FFBDLO COc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(C)n1 ZINC000178078177 510418735 /nfs/dbraw/zinc/41/87/35/510418735.db2.gz 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SQAPWVDUEANKOZ-UHFFFAOYSA-N 1 2 359.386 2.800 20 5 FFBDLO Cc1cc(N2CCO[C@]3(CCO[C@@H]3C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000280223314 511381835 /nfs/dbraw/zinc/38/18/35/511381835.db2.gz HHYDIXFJMHWQJZ-AUUYWEPGSA-N 1 2 370.409 2.744 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000280252562 511393140 /nfs/dbraw/zinc/39/31/40/511393140.db2.gz XEWWWSSSQQPKRZ-BDJLRTHQSA-N 1 2 355.822 2.812 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@](C)(O)CC1 ZINC000280252562 511393143 /nfs/dbraw/zinc/39/31/43/511393143.db2.gz XEWWWSSSQQPKRZ-BDJLRTHQSA-N 1 2 355.822 2.812 20 5 FFBDLO COc1cc(C[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000280309368 511415816 /nfs/dbraw/zinc/41/58/16/511415816.db2.gz GFQKYMYERYGSHA-QGZVFWFLSA-N 1 2 354.378 2.512 20 5 FFBDLO COc1cc(C[N@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000280309368 511415819 /nfs/dbraw/zinc/41/58/19/511415819.db2.gz GFQKYMYERYGSHA-QGZVFWFLSA-N 1 2 354.378 2.512 20 5 FFBDLO O=C(COc1ccc([N+](=O)[O-])cc1)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000298817943 511419518 /nfs/dbraw/zinc/41/95/18/511419518.db2.gz UIRUOVXCAIOZJR-UHFFFAOYSA-N 1 2 370.409 2.675 20 5 FFBDLO Cc1noc(C)c1C[NH+]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000284014909 511575231 /nfs/dbraw/zinc/57/52/31/511575231.db2.gz KKEXIBLYDCRFCR-UHFFFAOYSA-N 1 2 366.368 2.796 20 5 FFBDLO CC[N@H+](Cc1ccc(OC)cc1OC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000299442644 511638202 /nfs/dbraw/zinc/63/82/02/511638202.db2.gz XGLIDBJSBTZDHJ-UHFFFAOYSA-N 1 2 373.409 2.733 20 5 FFBDLO CC[N@@H+](Cc1ccc(OC)cc1OC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000299442644 511638206 /nfs/dbraw/zinc/63/82/06/511638206.db2.gz XGLIDBJSBTZDHJ-UHFFFAOYSA-N 1 2 373.409 2.733 20 5 FFBDLO CN1CCO[C@@H]2CC[N@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]21 ZINC000284208941 511642296 /nfs/dbraw/zinc/64/22/96/511642296.db2.gz CCHXBFMBVMFXRP-DLBZAZTESA-N 1 2 374.466 2.623 20 5 FFBDLO CN1CCO[C@@H]2CC[N@@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]21 ZINC000284208941 511642302 /nfs/dbraw/zinc/64/23/02/511642302.db2.gz CCHXBFMBVMFXRP-DLBZAZTESA-N 1 2 374.466 2.623 20 5 FFBDLO C[N@@H+]1CCO[C@@H]2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]21 ZINC000284208941 511642308 /nfs/dbraw/zinc/64/23/08/511642308.db2.gz CCHXBFMBVMFXRP-DLBZAZTESA-N 1 2 374.466 2.623 20 5 FFBDLO C[N@H+]1CCO[C@@H]2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]21 ZINC000284208941 511642312 /nfs/dbraw/zinc/64/23/12/511642312.db2.gz CCHXBFMBVMFXRP-DLBZAZTESA-N 1 2 374.466 2.623 20 5 FFBDLO C[C@H](c1ccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000280918525 511652678 /nfs/dbraw/zinc/65/26/78/511652678.db2.gz JCRSJWCQJZFNQJ-CYBMUJFWSA-N 1 2 371.393 2.946 20 5 FFBDLO O=[N+]([O-])c1c[nH]c(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)c1 ZINC000349836138 511671918 /nfs/dbraw/zinc/67/19/18/511671918.db2.gz DLCUMAOIRUWDDW-HNNXBMFYSA-N 1 2 355.354 2.546 20 5 FFBDLO O=[N+]([O-])c1c[nH]c(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)c1 ZINC000349836138 511671922 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351.204 2.649 20 5 FFBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000281977637 512034222 /nfs/dbraw/zinc/03/42/22/512034222.db2.gz YZZXQLDSCUDFMI-HNNXBMFYSA-N 1 2 358.398 2.944 20 5 FFBDLO CCn1cc[nH+]c1CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000297230671 512069957 /nfs/dbraw/zinc/06/99/57/512069957.db2.gz OMLHNVCLCMIWTO-UHFFFAOYSA-N 1 2 354.819 2.873 20 5 FFBDLO CCC[C@@H](C)C(=O)NCC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000293831332 512094183 /nfs/dbraw/zinc/09/41/83/512094183.db2.gz XAIAOIROADUGIA-PBHICJAKSA-N 1 2 373.457 2.560 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000375659590 512442036 /nfs/dbraw/zinc/44/20/36/512442036.db2.gz HYNVSOYFAYCHMA-UHFFFAOYSA-N 1 2 357.366 2.924 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC=C(c2ccco2)C1 ZINC000375659590 512442041 /nfs/dbraw/zinc/44/20/41/512442041.db2.gz HYNVSOYFAYCHMA-UHFFFAOYSA-N 1 2 357.366 2.924 20 5 FFBDLO 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O=C1CCCN1[C@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000412053006 512933539 /nfs/dbraw/zinc/93/35/39/512933539.db2.gz DVAPWVXQKIZOGA-LBPRGKRZSA-N 1 2 353.369 2.850 20 5 FFBDLO O=C1CCCN1[C@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000412053006 512933540 /nfs/dbraw/zinc/93/35/40/512933540.db2.gz DVAPWVXQKIZOGA-LBPRGKRZSA-N 1 2 353.369 2.850 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000374825206 513022458 /nfs/dbraw/zinc/02/24/58/513022458.db2.gz CIHNPEKOGBZVAE-CYBMUJFWSA-N 1 2 358.398 2.806 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@H]1[C@@H]1CCCC1=O ZINC000450478632 513213816 /nfs/dbraw/zinc/21/38/16/513213816.db2.gz HXFWWKOUGDYIHF-GJZGRUSLSA-N 1 2 368.393 2.754 20 5 FFBDLO Cn1cnc2cc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)ccc21 ZINC000440528238 513348654 /nfs/dbraw/zinc/34/86/54/513348654.db2.gz BFOAMSACNLLUOX-UHFFFAOYSA-N 1 2 362.349 2.920 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C2)n1 ZINC000440637333 513367239 /nfs/dbraw/zinc/36/72/39/513367239.db2.gz LXQBLKGWYQYDIK-SFHVURJKSA-N 1 2 364.446 2.507 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000421739436 513397504 /nfs/dbraw/zinc/39/75/04/513397504.db2.gz BKGAYJUUFYYJTC-UHFFFAOYSA-N 1 2 354.410 2.565 20 5 FFBDLO CCNC(=O)[C@H]1Cc2ccccc2C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000425534000 513624696 /nfs/dbraw/zinc/62/46/96/513624696.db2.gz GAKCAEQYQXUSRX-LJQANCHMSA-N 1 2 369.421 2.537 20 5 FFBDLO CCNC(=O)[C@H]1Cc2ccccc2C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000425534000 513624701 /nfs/dbraw/zinc/62/47/01/513624701.db2.gz GAKCAEQYQXUSRX-LJQANCHMSA-N 1 2 369.421 2.537 20 5 FFBDLO Cc1cccn2cc(CNC(=O)COc3ccc([N+](=O)[O-])c(C)c3)[nH+]c12 ZINC000435678367 513654876 /nfs/dbraw/zinc/65/48/76/513654876.db2.gz OVAXJECFTSYXKN-UHFFFAOYSA-N 1 2 354.366 2.555 20 5 FFBDLO Cc1cc(N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)c(Br)cc1[N+](=O)[O-] ZINC000418993065 513709720 /nfs/dbraw/zinc/70/97/20/513709720.db2.gz GLYDTGGXVPYCGL-NWDGAFQWSA-N 1 2 372.263 2.557 20 5 FFBDLO Cc1cc(N2C[C@H](C)[N@H+](CCO)C[C@H]2C)c(Br)cc1[N+](=O)[O-] ZINC000418993065 513709726 /nfs/dbraw/zinc/70/97/26/513709726.db2.gz GLYDTGGXVPYCGL-NWDGAFQWSA-N 1 2 372.263 2.557 20 5 FFBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436098691 513759793 /nfs/dbraw/zinc/75/97/93/513759793.db2.gz DHFFXBJUYZKETP-GFCCVEGCSA-N 1 2 364.380 2.835 20 5 FFBDLO CC(C)[C@@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000436276660 513815540 /nfs/dbraw/zinc/81/55/40/513815540.db2.gz UGFTVMQUJJOXCK-GFCCVEGCSA-N 1 2 362.352 2.777 20 5 FFBDLO CCC[NH+]1CCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC1 ZINC000436318583 513825541 /nfs/dbraw/zinc/82/55/41/513825541.db2.gz PARKSIVVFVKFIZ-UHFFFAOYSA-N 1 2 367.424 2.988 20 5 FFBDLO CC[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1[nH]cc[nH+]1 ZINC000443120599 513877810 /nfs/dbraw/zinc/87/78/10/513877810.db2.gz UNBGRTSNNIZAPJ-GFCCVEGCSA-N 1 2 355.354 2.512 20 5 FFBDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000451935702 514081575 /nfs/dbraw/zinc/08/15/75/514081575.db2.gz RQJZSIVFECKELN-SECBINFHSA-N 1 2 358.807 2.504 20 5 FFBDLO O=C(NCCc1[nH]cc[nH+]1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444004863 514097168 /nfs/dbraw/zinc/09/71/68/514097168.db2.gz NKZLQJIEGDBJMJ-UHFFFAOYSA-N 1 2 368.343 2.655 20 5 FFBDLO CCOC(=O)c1cnn(C2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)c1 ZINC000449408364 514198860 /nfs/dbraw/zinc/19/88/60/514198860.db2.gz JFNMRQTXBNXBAK-UHFFFAOYSA-N 1 2 374.397 2.511 20 5 FFBDLO CN(c1ccccc1)c1ccc(C[N@@H+]2CCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000449548409 514248865 /nfs/dbraw/zinc/24/88/65/514248865.db2.gz NCRGMGNPHFCPFX-QGZVFWFLSA-N 1 2 354.410 2.812 20 5 FFBDLO CN(c1ccccc1)c1ccc(C[N@H+]2CCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000449548409 514248868 /nfs/dbraw/zinc/24/88/68/514248868.db2.gz NCRGMGNPHFCPFX-QGZVFWFLSA-N 1 2 354.410 2.812 20 5 FFBDLO CCCCN(C)C(=O)C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444587956 514266296 /nfs/dbraw/zinc/26/62/96/514266296.db2.gz BRFQFUUZSNUZHZ-UHFFFAOYSA-N 1 2 373.457 2.942 20 5 FFBDLO O=C(NC[C@@H]1CC[NH2+]CC1(F)F)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000449653982 514283649 /nfs/dbraw/zinc/28/36/49/514283649.db2.gz UMERBJUIHYSBLA-JTQLQIEISA-N 1 2 355.366 2.784 20 5 FFBDLO CC(C)(C)OC(=O)CCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450008478 514463456 /nfs/dbraw/zinc/46/34/56/514463456.db2.gz GVKOKNDFFODDPU-UHFFFAOYSA-N 1 2 374.397 2.632 20 5 FFBDLO COc1c(C(=O)Nc2ccccc2C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000475019505 514526364 /nfs/dbraw/zinc/52/63/64/514526364.db2.gz UVMPLBCEHQBRCL-UHFFFAOYSA-N 1 2 371.393 2.688 20 5 FFBDLO COc1cc(C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000489106833 514712705 /nfs/dbraw/zinc/71/27/05/514712705.db2.gz QYPIKQWYKUTWQT-QGZVFWFLSA-N 1 2 355.394 2.667 20 5 FFBDLO COc1cc(C[N@H+]2CCNC(=O)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000489106833 514712712 /nfs/dbraw/zinc/71/27/12/514712712.db2.gz QYPIKQWYKUTWQT-QGZVFWFLSA-N 1 2 355.394 2.667 20 5 FFBDLO COc1ccc(CNc2cc(C)[nH+]c(-c3ccncc3)n2)cc1[N+](=O)[O-] ZINC000489252136 514770927 /nfs/dbraw/zinc/77/09/27/514770927.db2.gz VHMXNNOUOUJNBD-UHFFFAOYSA-N 1 2 351.366 2.798 20 5 FFBDLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000480004456 514806634 /nfs/dbraw/zinc/80/66/34/514806634.db2.gz RDTIRJZOQXGGIW-LBPRGKRZSA-N 1 2 357.414 2.793 20 5 FFBDLO Cc1cc(F)cc([C@]2(F)CC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)c1 ZINC000502969264 514863969 /nfs/dbraw/zinc/86/39/69/514863969.db2.gz KQHZTTOEIFASIN-SFHVURJKSA-N 1 2 363.364 2.775 20 5 FFBDLO Cc1cc(F)cc([C@]2(F)CC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)c1 ZINC000502969264 514863977 /nfs/dbraw/zinc/86/39/77/514863977.db2.gz KQHZTTOEIFASIN-SFHVURJKSA-N 1 2 363.364 2.775 20 5 FFBDLO CC(C)Cc1nnc(NC(=O)C[N@H+](C)Cc2cccc([N+](=O)[O-])c2)s1 ZINC000485036725 514885405 /nfs/dbraw/zinc/88/54/05/514885405.db2.gz UZQUNGRZTDPUKR-UHFFFAOYSA-N 1 2 363.443 2.715 20 5 FFBDLO CC(C)Cc1nnc(NC(=O)C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)s1 ZINC000485036725 514885412 /nfs/dbraw/zinc/88/54/12/514885412.db2.gz UZQUNGRZTDPUKR-UHFFFAOYSA-N 1 2 363.443 2.715 20 5 FFBDLO O=C(NCc1cn2ccccc2[nH+]1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467220019 514944585 /nfs/dbraw/zinc/94/45/85/514944585.db2.gz UWBVBXKOQGQDGG-UHFFFAOYSA-N 1 2 359.773 2.895 20 5 FFBDLO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000456342149 515110176 /nfs/dbraw/zinc/11/01/76/515110176.db2.gz FPFCTTZAPVJYDX-CQSZACIVSA-N 1 2 357.414 2.541 20 5 FFBDLO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000456342149 515110186 /nfs/dbraw/zinc/11/01/86/515110186.db2.gz FPFCTTZAPVJYDX-CQSZACIVSA-N 1 2 357.414 2.541 20 5 FFBDLO CN(c1nc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cs1)C1CC1 ZINC000485672035 515135572 /nfs/dbraw/zinc/13/55/72/515135572.db2.gz PMOLTOGPIOWAOK-GFCCVEGCSA-N 1 2 374.470 2.731 20 5 FFBDLO CN(c1nc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cs1)C1CC1 ZINC000485672035 515135579 /nfs/dbraw/zinc/13/55/79/515135579.db2.gz PMOLTOGPIOWAOK-GFCCVEGCSA-N 1 2 374.470 2.731 20 5 FFBDLO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)cc1SC ZINC000456401751 515159189 /nfs/dbraw/zinc/15/91/89/515159189.db2.gz WAIFMNAOLJCFCE-KOLCDFICSA-N 1 2 362.411 2.958 20 5 FFBDLO CO[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C12CCC2 ZINC000456591984 515272834 /nfs/dbraw/zinc/27/28/34/515272834.db2.gz QRVXTFKGDQZAKM-IRXDYDNUSA-N 1 2 370.409 2.810 20 5 FFBDLO CCOc1ccc(NC(=O)C[NH+]2CCC(C(F)F)CC2)c([N+](=O)[O-])c1 ZINC000486137221 515349332 /nfs/dbraw/zinc/34/93/32/515349332.db2.gz NWSOFUIYLJMCRU-UHFFFAOYSA-N 1 2 357.357 2.909 20 5 FFBDLO Cc1[nH+]c2cc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)ccc2n1[C@@H](C)CO ZINC000456737916 515393991 /nfs/dbraw/zinc/39/39/91/515393991.db2.gz XQGOBBCUJJTARA-LBPRGKRZSA-N 1 2 368.393 2.987 20 5 FFBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000477354644 515424255 /nfs/dbraw/zinc/42/42/55/515424255.db2.gz UZCHULUMGDGUDM-UHFFFAOYSA-N 1 2 369.849 2.739 20 5 FFBDLO CCOc1cc(C(=O)NCc2c[nH+]c(C)cc2C)c([N+](=O)[O-])cc1OC ZINC000456862579 515466020 /nfs/dbraw/zinc/46/60/20/515466020.db2.gz PUKRUSDIEJDPST-UHFFFAOYSA-N 1 2 359.382 2.944 20 5 FFBDLO Cc1c(CC(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)cccc1[N+](=O)[O-] ZINC000505470140 515545498 /nfs/dbraw/zinc/54/54/98/515545498.db2.gz XSTQKTBKCKCYOG-KRWDZBQOSA-N 1 2 357.385 2.758 20 5 FFBDLO CCOc1ccccc1OCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459511371 515607163 /nfs/dbraw/zinc/60/71/63/515607163.db2.gz PCFSOVAHRLSWHF-UHFFFAOYSA-N 1 2 372.425 2.590 20 5 FFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000459523676 515617937 /nfs/dbraw/zinc/61/79/37/515617937.db2.gz SZJONGNXZOBGSY-QWHCGFSZSA-N 1 2 360.439 2.959 20 5 FFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000459523676 515617945 /nfs/dbraw/zinc/61/79/45/515617945.db2.gz SZJONGNXZOBGSY-QWHCGFSZSA-N 1 2 360.439 2.959 20 5 FFBDLO CCc1cc(NCC[C@H](O)C(F)(F)F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000510684710 515634589 /nfs/dbraw/zinc/63/45/89/515634589.db2.gz MMZAJFNLONMJQT-ZDUSSCGKSA-N 1 2 370.331 2.761 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000482445455 515678056 /nfs/dbraw/zinc/67/80/56/515678056.db2.gz BJCAXGMUEZXZIQ-KSSFIOAISA-N 1 2 350.415 2.763 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000482445455 515678064 /nfs/dbraw/zinc/67/80/64/515678064.db2.gz BJCAXGMUEZXZIQ-KSSFIOAISA-N 1 2 350.415 2.763 20 5 FFBDLO Cc1noc([C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C2CCOCC2)n1 ZINC000486915294 515683954 /nfs/dbraw/zinc/68/39/54/515683954.db2.gz FDZLDKWXKPILIR-OAHLLOKOSA-N 1 2 350.350 2.683 20 5 FFBDLO COc1cc(O)cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000510888107 515702615 /nfs/dbraw/zinc/70/26/15/515702615.db2.gz AUKMXQNDEFROCL-UHFFFAOYSA-N 1 2 354.322 2.747 20 5 FFBDLO COc1cc(C[NH2+]Cc2cnc(C)o2)c([N+](=O)[O-])cc1OCC(F)F ZINC000459679608 515738791 /nfs/dbraw/zinc/73/87/91/515738791.db2.gz TVQRHKHZBYEEKQ-UHFFFAOYSA-N 1 2 357.313 2.834 20 5 FFBDLO CC(=O)c1ccccc1NC(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511108786 515783430 /nfs/dbraw/zinc/78/34/30/515783430.db2.gz RWPWSULUCCVJFY-UHFFFAOYSA-N 1 2 355.394 2.910 20 5 FFBDLO CC(=O)c1ccccc1NC(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511108786 515783433 /nfs/dbraw/zinc/78/34/33/515783433.db2.gz RWPWSULUCCVJFY-UHFFFAOYSA-N 1 2 355.394 2.910 20 5 FFBDLO COc1cc(C(=O)Nc2nc(C[NH+](C)C)cs2)c([N+](=O)[O-])cc1F ZINC000457319956 515805226 /nfs/dbraw/zinc/80/52/26/515805226.db2.gz YWBLYJRBMSXTQF-UHFFFAOYSA-N 1 2 354.363 2.513 20 5 FFBDLO COC(=O)c1cc(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000469562158 515867267 /nfs/dbraw/zinc/86/72/67/515867267.db2.gz MXCPMLZTJFIMOD-KRWDZBQOSA-N 1 2 369.377 2.594 20 5 FFBDLO COC(=O)c1cc(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000469562158 515867275 /nfs/dbraw/zinc/86/72/75/515867275.db2.gz MXCPMLZTJFIMOD-KRWDZBQOSA-N 1 2 369.377 2.594 20 5 FFBDLO Cc1ccsc1[C@@H](CO)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000494643521 515906528 /nfs/dbraw/zinc/90/65/28/515906528.db2.gz RLHVSPWRRRJWSP-CYBMUJFWSA-N 1 2 360.395 2.838 20 5 FFBDLO COc1ccnc(N2CC[NH+](Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)n1 ZINC000506545372 515915919 /nfs/dbraw/zinc/91/59/19/515915919.db2.gz JJLCUBSVTCEXMO-UHFFFAOYSA-N 1 2 371.441 2.839 20 5 FFBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000464725357 515936021 /nfs/dbraw/zinc/93/60/21/515936021.db2.gz WVQVKHFVOFNTPB-LJQANCHMSA-N 1 2 369.421 2.997 20 5 FFBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000464725357 515936030 /nfs/dbraw/zinc/93/60/30/515936030.db2.gz WVQVKHFVOFNTPB-LJQANCHMSA-N 1 2 369.421 2.997 20 5 FFBDLO C[C@H](c1nnnn1C1CCCCC1)[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000469766611 515956077 /nfs/dbraw/zinc/95/60/77/515956077.db2.gz WLWCXMXHJVYOTF-GFCCVEGCSA-N 1 2 357.418 2.601 20 5 FFBDLO C[C@H](c1nnnn1C1CCCCC1)[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000469766611 515956082 /nfs/dbraw/zinc/95/60/82/515956082.db2.gz WLWCXMXHJVYOTF-GFCCVEGCSA-N 1 2 357.418 2.601 20 5 FFBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000483247104 516001633 /nfs/dbraw/zinc/00/16/33/516001633.db2.gz VYECFNKEFXYBQD-ZDUSSCGKSA-N 1 2 367.409 2.905 20 5 FFBDLO COC(=O)c1cc(NC(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)c(C)c([N+](=O)[O-])c1 ZINC000455259161 516079490 /nfs/dbraw/zinc/07/94/90/516079490.db2.gz ABWMNJYNFRLPTM-NOZJJQNGSA-N 1 2 373.369 2.714 20 5 FFBDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCO1 ZINC000470148393 516144482 /nfs/dbraw/zinc/14/44/82/516144482.db2.gz UWGBIMLPVAPGCW-ABAIWWIYSA-N 1 2 363.349 2.509 20 5 FFBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(Oc3ccccn3)CC2)c2c(c1)COCO2 ZINC000507665792 516278599 /nfs/dbraw/zinc/27/85/99/516278599.db2.gz LNEOOEOHMVFNAU-UHFFFAOYSA-N 1 2 371.393 2.900 20 5 FFBDLO CS(=O)(=O)c1cccc(NCc2cccc(-n3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC000497533503 516325629 /nfs/dbraw/zinc/32/56/29/516325629.db2.gz NJWCBJZPWDKFGH-UHFFFAOYSA-N 1 2 372.406 2.796 20 5 FFBDLO O=[N+]([O-])c1cccc(F)c1N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000561105049 516382890 /nfs/dbraw/zinc/38/28/90/516382890.db2.gz JTXMRCWWIUVRSD-UHFFFAOYSA-N 1 2 373.384 2.827 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](c2[nH+]ccn2C)c2ccccc2)n1 ZINC000561112334 516386764 /nfs/dbraw/zinc/38/67/64/516386764.db2.gz LQAVQDGHUFHKOB-OAHLLOKOSA-N 1 2 367.365 2.711 20 5 FFBDLO C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)c2)C[C@@H](C)O1 ZINC000523128954 516393048 /nfs/dbraw/zinc/39/30/48/516393048.db2.gz AMEVIWHJLJGGMZ-CHWSQXEVSA-N 1 2 358.398 2.784 20 5 FFBDLO Cc1cc(N(C)CCc2cnccn2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000540025005 516407340 /nfs/dbraw/zinc/40/73/40/516407340.db2.gz MDXUIYLZSMIUID-UHFFFAOYSA-N 1 2 350.382 2.829 20 5 FFBDLO C[NH+](C)[C@@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])c1c(F)cccc1F ZINC000561225610 516464501 /nfs/dbraw/zinc/46/45/01/516464501.db2.gz QANIYNUHFNYKQL-AWEZNQCLSA-N 1 2 364.352 2.687 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCc1cnn2ccccc12 ZINC000561358474 516540608 /nfs/dbraw/zinc/54/06/08/516540608.db2.gz CIQNFCORALPOBC-UHFFFAOYSA-N 1 2 367.409 2.687 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000531634960 516566340 /nfs/dbraw/zinc/56/63/40/516566340.db2.gz ARJJHCZRWNHQII-HNNXBMFYSA-N 1 2 371.784 2.896 20 5 FFBDLO CN(C)c1ccccc1C[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000554745253 516615113 /nfs/dbraw/zinc/61/51/13/516615113.db2.gz FWTPSRRJZOHQAY-UHFFFAOYSA-N 1 2 368.437 2.682 20 5 FFBDLO CN(C)c1ccccc1C[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000554745253 516615126 /nfs/dbraw/zinc/61/51/26/516615126.db2.gz FWTPSRRJZOHQAY-UHFFFAOYSA-N 1 2 368.437 2.682 20 5 FFBDLO O=C(N[C@H]1CCc2c1cccc2O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000518457541 516668192 /nfs/dbraw/zinc/66/81/92/516668192.db2.gz YHJNXITYUDJBLD-HNNXBMFYSA-N 1 2 364.361 2.903 20 5 FFBDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc([N+](=O)[O-])cn3)n2)C1 ZINC000531890593 516695529 /nfs/dbraw/zinc/69/55/29/516695529.db2.gz OYKCZIPHAVJXOB-NSHDSACASA-N 1 2 361.427 2.931 20 5 FFBDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc([N+](=O)[O-])cn3)n2)C1 ZINC000531890593 516695539 /nfs/dbraw/zinc/69/55/39/516695539.db2.gz OYKCZIPHAVJXOB-NSHDSACASA-N 1 2 361.427 2.931 20 5 FFBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000561677375 516710506 /nfs/dbraw/zinc/71/05/06/516710506.db2.gz XEHWRXBTHKYLCY-UHFFFAOYSA-N 1 2 355.394 2.825 20 5 FFBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)c1 ZINC000532138325 516821607 /nfs/dbraw/zinc/82/16/07/516821607.db2.gz CABWBQKOQZIKIT-AWEZNQCLSA-N 1 2 370.409 2.517 20 5 FFBDLO Cc1ccn2cc(CNS(=O)(=O)c3cc(C)cc([N+](=O)[O-])c3C)[nH+]c2c1 ZINC000544665080 516862209 /nfs/dbraw/zinc/86/22/09/516862209.db2.gz ZHORDAFBSSIUHE-UHFFFAOYSA-N 1 2 374.422 2.646 20 5 FFBDLO COc1cc([C@@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])ccc1OCCO ZINC000555420859 516921207 /nfs/dbraw/zinc/92/12/07/516921207.db2.gz PMENICZLJQEQPC-GFCCVEGCSA-N 1 2 362.382 2.531 20 5 FFBDLO Cc1cccn2cc(Cc3nc(-c4ccc(N)c([N+](=O)[O-])c4)no3)[nH+]c12 ZINC000544932468 516992631 /nfs/dbraw/zinc/99/26/31/516992631.db2.gz OOVAYBPWTDDUPH-UHFFFAOYSA-N 1 2 350.338 2.774 20 5 FFBDLO COc1ccc(-c2ccc(C[N@@H+]3CCN(C(C)=O)C[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000552076380 517066475 /nfs/dbraw/zinc/06/64/75/517066475.db2.gz KZKAIOFIWFHMPJ-ZDUSSCGKSA-N 1 2 373.409 2.916 20 5 FFBDLO COc1ccc(-c2ccc(C[N@H+]3CCN(C(C)=O)C[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000552076380 517066483 /nfs/dbraw/zinc/06/64/83/517066483.db2.gz KZKAIOFIWFHMPJ-ZDUSSCGKSA-N 1 2 373.409 2.916 20 5 FFBDLO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000559094259 517078894 /nfs/dbraw/zinc/07/88/94/517078894.db2.gz GKLPEUFCGILWDE-ZDUSSCGKSA-N 1 2 372.347 2.603 20 5 FFBDLO O=C1NCCN1[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000559094259 517078902 /nfs/dbraw/zinc/07/89/02/517078902.db2.gz GKLPEUFCGILWDE-ZDUSSCGKSA-N 1 2 372.347 2.603 20 5 FFBDLO COc1cc(C(=O)NCC2CC[NH+](CC(F)F)CC2)cc([N+](=O)[O-])c1C ZINC000552122053 517093982 /nfs/dbraw/zinc/09/39/82/517093982.db2.gz GFIYOGMTETXASZ-UHFFFAOYSA-N 1 2 371.384 2.619 20 5 FFBDLO COc1cc(C[NH2+]Cc2nnc(C(C)C)s2)c([N+](=O)[O-])cc1OC ZINC000537310923 517138550 /nfs/dbraw/zinc/13/85/50/517138550.db2.gz JZVCPWKPHSVSHH-UHFFFAOYSA-N 1 2 352.416 2.877 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000533026067 517258199 /nfs/dbraw/zinc/25/81/99/517258199.db2.gz WUXRNKQANHAGOF-MRXNPFEDSA-N 1 2 356.382 2.774 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000533026067 517258202 /nfs/dbraw/zinc/25/82/02/517258202.db2.gz WUXRNKQANHAGOF-MRXNPFEDSA-N 1 2 356.382 2.774 20 5 FFBDLO Cc1cccn2cc(Cc3noc(-c4cc([N+](=O)[O-])cnc4C)n3)[nH+]c12 ZINC000545674544 517328927 /nfs/dbraw/zinc/32/89/27/517328927.db2.gz GRQLADLPOZEBLV-UHFFFAOYSA-N 1 2 350.338 2.895 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@@H](CCO)c3ccccc3)o2)cc1 ZINC000538128545 517473524 /nfs/dbraw/zinc/47/35/24/517473524.db2.gz LOHKUHUVQGAQLV-INIZCTEOSA-N 1 2 354.366 2.858 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000520713817 517488348 /nfs/dbraw/zinc/48/83/48/517488348.db2.gz JJLVHTWIGFOMTD-LJQANCHMSA-N 1 2 369.421 2.707 20 5 FFBDLO COc1cc(C[NH2+]Cc2ccno2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000520812983 517520796 /nfs/dbraw/zinc/52/07/96/517520796.db2.gz MCGWKRSNEHUVGW-UHFFFAOYSA-N 1 2 361.276 2.822 20 5 FFBDLO Cc1cccn2cc(CNC(=O)CSc3ccc([N+](=O)[O-])cc3)[nH+]c12 ZINC000521054173 517595420 /nfs/dbraw/zinc/59/54/20/517595420.db2.gz KJGBUZRJOHPSTC-UHFFFAOYSA-N 1 2 356.407 2.959 20 5 FFBDLO Cc1cccc(CCCNc2c(Br)cncc2[N+](=O)[O-])[nH+]1 ZINC000553266795 517613613 /nfs/dbraw/zinc/61/36/13/517613613.db2.gz UXDUKMKLRLFGEL-UHFFFAOYSA-N 1 2 351.204 2.922 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1cccc([N+](=O)[O-])c1 ZINC000553298386 517632016 /nfs/dbraw/zinc/63/20/16/517632016.db2.gz PTGXJYVVCHTYEP-CYBMUJFWSA-N 1 2 351.366 2.977 20 5 FFBDLO COc1cc(C[NH2+]Cc2cn3cc(C)ccc3n2)c([N+](=O)[O-])cc1OC ZINC000553421226 517704542 /nfs/dbraw/zinc/70/45/42/517704542.db2.gz PEBNGWAHVGZQNG-UHFFFAOYSA-N 1 2 356.382 2.858 20 5 FFBDLO Cc1ccccc1[C@H](CO)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000538882796 517826135 /nfs/dbraw/zinc/82/61/35/517826135.db2.gz CKIOEBUWCJWLCQ-INIZCTEOSA-N 1 2 366.377 2.552 20 5 FFBDLO C[C@@H](NC(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccccc1[N+](=O)[O-] ZINC000539243729 517964641 /nfs/dbraw/zinc/96/46/41/517964641.db2.gz BBYZPBXCWPCNEF-CYBMUJFWSA-N 1 2 357.414 2.731 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](Nc1cccc(C(N)=O)c1[N+](=O)[O-])c1ccccc1 ZINC000557484263 518029066 /nfs/dbraw/zinc/02/90/66/518029066.db2.gz HKOPEXDVHHMEAZ-HNNXBMFYSA-N 1 2 351.366 2.629 20 5 FFBDLO Cn1c[nH+]cc1Cc1noc(-c2ccc([N+](=O)[O-])cc2Br)n1 ZINC000547265359 518044485 /nfs/dbraw/zinc/04/44/85/518044485.db2.gz LTEPQUJYMXVBRZ-UHFFFAOYSA-N 1 2 364.159 2.732 20 5 FFBDLO O=C1C[C@H]([N@@H+]2CC[C@H](CC(F)(F)F)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000563772061 518117380 /nfs/dbraw/zinc/11/73/80/518117380.db2.gz GDXGIKAFLHEAOY-MFKMUULPSA-N 1 2 371.315 2.501 20 5 FFBDLO O=C1C[C@H]([N@H+]2CC[C@H](CC(F)(F)F)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000563772061 518117388 /nfs/dbraw/zinc/11/73/88/518117388.db2.gz GDXGIKAFLHEAOY-MFKMUULPSA-N 1 2 371.315 2.501 20 5 FFBDLO O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H](c2nnc[nH]2)c2cccnc2)cc1 ZINC000566811136 518213879 /nfs/dbraw/zinc/21/38/79/518213879.db2.gz MXRHOFUMCNANLF-QGZVFWFLSA-N 1 2 352.398 2.810 20 5 FFBDLO O=C1[C@@H]([N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCN1c1ccc(F)cc1 ZINC000563942331 518240527 /nfs/dbraw/zinc/24/05/27/518240527.db2.gz JTCSKJQNFHMQJH-SFHVURJKSA-N 1 2 355.369 2.898 20 5 FFBDLO O=C1[C@@H]([N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCN1c1ccc(F)cc1 ZINC000563942331 518240532 /nfs/dbraw/zinc/24/05/32/518240532.db2.gz JTCSKJQNFHMQJH-SFHVURJKSA-N 1 2 355.369 2.898 20 5 FFBDLO O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000570144397 518461288 /nfs/dbraw/zinc/46/12/88/518461288.db2.gz CDHUGONXTGWDQT-CYBMUJFWSA-N 1 2 353.382 2.578 20 5 FFBDLO O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000570144397 518461297 /nfs/dbraw/zinc/46/12/97/518461297.db2.gz CDHUGONXTGWDQT-CYBMUJFWSA-N 1 2 353.382 2.578 20 5 FFBDLO C[N@H+](Cc1cc(C(C)(C)C)n[nH]1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000584819347 518491683 /nfs/dbraw/zinc/49/16/83/518491683.db2.gz SLNXDALZKQBKGU-INIZCTEOSA-N 1 2 371.441 2.853 20 5 FFBDLO C[N@@H+](Cc1cc(C(C)(C)C)n[nH]1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000584819347 518491690 /nfs/dbraw/zinc/49/16/90/518491690.db2.gz SLNXDALZKQBKGU-INIZCTEOSA-N 1 2 371.441 2.853 20 5 FFBDLO C[N@@H+]1Cc2cccc(NS(=O)(=O)CCc3ccccc3[N+](=O)[O-])c2C1 ZINC000585723508 518575079 /nfs/dbraw/zinc/57/50/79/518575079.db2.gz ZKRNQPMGNPJHLL-UHFFFAOYSA-N 1 2 361.423 2.525 20 5 FFBDLO C[N@H+]1Cc2cccc(NS(=O)(=O)CCc3ccccc3[N+](=O)[O-])c2C1 ZINC000585723508 518575086 /nfs/dbraw/zinc/57/50/86/518575086.db2.gz ZKRNQPMGNPJHLL-UHFFFAOYSA-N 1 2 361.423 2.525 20 5 FFBDLO Cc1ccccc1[C@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000582274527 518670776 /nfs/dbraw/zinc/67/07/76/518670776.db2.gz WHGSUUJEUFYTSY-YLJYHZDGSA-N 1 2 372.421 2.716 20 5 FFBDLO Cc1ccccc1[C@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000582274527 518670781 /nfs/dbraw/zinc/67/07/81/518670781.db2.gz WHGSUUJEUFYTSY-YLJYHZDGSA-N 1 2 372.421 2.716 20 5 FFBDLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000587045358 518675334 /nfs/dbraw/zinc/67/53/34/518675334.db2.gz NKFNUSOYKCCAFS-AWEZNQCLSA-N 1 2 363.377 2.598 20 5 FFBDLO CCOc1cc(Cn2c3ccccc3[nH+]c2NC[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000567968286 518805844 /nfs/dbraw/zinc/80/58/44/518805844.db2.gz AMJMAXWXSIHOIC-CYBMUJFWSA-N 1 2 370.409 2.606 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])cc1)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000588845713 518847690 /nfs/dbraw/zinc/84/76/90/518847690.db2.gz OGFUONPMQAMKLC-UHFFFAOYSA-N 1 2 360.439 2.829 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](CC(=O)NCCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000571113241 518931849 /nfs/dbraw/zinc/93/18/49/518931849.db2.gz CDGLGJVGKNABMZ-CYBMUJFWSA-N 1 2 370.331 2.723 20 5 FFBDLO O=C1[C@@H]([N@@H+]2CCC=C(c3cccnc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000577248093 518985490 /nfs/dbraw/zinc/98/54/90/518985490.db2.gz XJDVLXQUTFJOBG-IBGZPJMESA-N 1 2 364.405 2.884 20 5 FFBDLO O=C1[C@@H]([N@H+]2CCC=C(c3cccnc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000577248093 518985499 /nfs/dbraw/zinc/98/54/99/518985499.db2.gz XJDVLXQUTFJOBG-IBGZPJMESA-N 1 2 364.405 2.884 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCNc2ccccc2C1 ZINC000589559505 519031128 /nfs/dbraw/zinc/03/11/28/519031128.db2.gz VFZBEUZRPCCKGK-UHFFFAOYSA-N 1 2 368.437 2.859 20 5 FFBDLO O=C1NCCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H]1Cc1ccccc1 ZINC000590192495 519169888 /nfs/dbraw/zinc/16/98/88/519169888.db2.gz 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/nfs/dbraw/zinc/55/46/29/520554629.db2.gz INGBOYBSUQCSET-UHFFFAOYSA-N 1 2 352.394 2.761 20 5 FFBDLO COc1cc(C(=O)Nc2ccc3[nH+]c(C)cn3c2)c([N+](=O)[O-])cc1OC ZINC000604563649 520606186 /nfs/dbraw/zinc/60/61/86/520606186.db2.gz CSRSCBCZWYFNCW-UHFFFAOYSA-N 1 2 356.338 2.820 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000595748623 520695515 /nfs/dbraw/zinc/69/55/15/520695515.db2.gz BLOWZGPUGGFJTH-DIFFPNOSSA-N 1 2 367.833 2.812 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000595748623 520695522 /nfs/dbraw/zinc/69/55/22/520695522.db2.gz BLOWZGPUGGFJTH-DIFFPNOSSA-N 1 2 367.833 2.812 20 5 FFBDLO O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000593057284 520713135 /nfs/dbraw/zinc/71/31/35/520713135.db2.gz SECKCICTBMKGJV-UHFFFAOYSA-N 1 2 373.384 2.747 20 5 FFBDLO COc1nc(C)cc(C)c1C[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000598647252 520759829 /nfs/dbraw/zinc/75/98/29/520759829.db2.gz 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C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000601702919 520912413 /nfs/dbraw/zinc/91/24/13/520912413.db2.gz DTNYULSSWOHCBN-GOEBONIOSA-N 1 2 369.421 2.798 20 5 FFBDLO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000601702919 520912419 /nfs/dbraw/zinc/91/24/19/520912419.db2.gz DTNYULSSWOHCBN-GOEBONIOSA-N 1 2 369.421 2.798 20 5 FFBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCc3sc(Br)cc3C2)n1 ZINC000610990277 520933570 /nfs/dbraw/zinc/93/35/70/520933570.db2.gz YKQFWQQLPKKVSB-UHFFFAOYSA-N 1 2 357.233 2.674 20 5 FFBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCc3sc(Br)cc3C2)n1 ZINC000610990277 520933581 /nfs/dbraw/zinc/93/35/81/520933581.db2.gz YKQFWQQLPKKVSB-UHFFFAOYSA-N 1 2 357.233 2.674 20 5 FFBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2ccc([N+](=O)[O-])cn2)c(C)c1 ZINC000611001664 520942001 /nfs/dbraw/zinc/94/20/01/520942001.db2.gz TYVFYAMRBHWFOD-GOSISDBHSA-N 1 2 365.393 2.974 20 5 FFBDLO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)c3cc(O)ccc3[N+](=O)[O-])C2)c1 ZINC000601852167 520988958 /nfs/dbraw/zinc/98/89/58/520988958.db2.gz XUPUTHNMLDPKOV-HNNXBMFYSA-N 1 2 355.394 2.613 20 5 FFBDLO Cc1cccc(C[N@H+]2CC[C@H](NC(=O)c3cc(O)ccc3[N+](=O)[O-])C2)c1 ZINC000601852167 520988962 /nfs/dbraw/zinc/98/89/62/520988962.db2.gz XUPUTHNMLDPKOV-HNNXBMFYSA-N 1 2 355.394 2.613 20 5 FFBDLO C[N@H+]1Cc2ccccc2[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611134197 521003017 /nfs/dbraw/zinc/00/30/17/521003017.db2.gz PEIBNBQRERUXFK-MRXNPFEDSA-N 1 2 355.394 2.642 20 5 FFBDLO C[N@@H+]1Cc2ccccc2[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611134197 521003020 /nfs/dbraw/zinc/00/30/20/521003020.db2.gz PEIBNBQRERUXFK-MRXNPFEDSA-N 1 2 355.394 2.642 20 5 FFBDLO Cc1nc(N2CCN(c3ccc4cnccc4c3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000599067341 521010722 /nfs/dbraw/zinc/01/07/22/521010722.db2.gz UEGCKUGFRPJHJH-UHFFFAOYSA-N 1 2 350.382 2.568 20 5 FFBDLO O=C1N(CCNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@@H]2CCCCN12 ZINC000599110191 521036323 /nfs/dbraw/zinc/03/63/23/521036323.db2.gz JWZGXSQQDCDNQN-AWEZNQCLSA-N 1 2 355.398 2.845 20 5 FFBDLO COc1ccc2c(c1)C[N@@H+](Cc1cc3c(cc1[N+](=O)[O-])OCCO3)CC2 ZINC000611265256 521065960 /nfs/dbraw/zinc/06/59/60/521065960.db2.gz LYWVDHSSLNNGSF-UHFFFAOYSA-N 1 2 356.378 2.933 20 5 FFBDLO COc1ccc2c(c1)C[N@H+](Cc1cc3c(cc1[N+](=O)[O-])OCCO3)CC2 ZINC000611265256 521065967 /nfs/dbraw/zinc/06/59/67/521065967.db2.gz LYWVDHSSLNNGSF-UHFFFAOYSA-N 1 2 356.378 2.933 20 5 FFBDLO COC(=O)c1c(Cl)c(NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000596432188 521068781 /nfs/dbraw/zinc/06/87/81/521068781.db2.gz RCXZTOLZEKICPO-GHMZBOCLSA-N 1 2 371.821 2.556 20 5 FFBDLO COC(=O)c1c(Cl)c(NCC[N@H+]2C[C@@H](C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000596432188 521068786 /nfs/dbraw/zinc/06/87/86/521068786.db2.gz RCXZTOLZEKICPO-GHMZBOCLSA-N 1 2 371.821 2.556 20 5 FFBDLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000593661140 521137452 /nfs/dbraw/zinc/13/74/52/521137452.db2.gz JSGKARDXDXQTNG-CABCVRRESA-N 1 2 366.414 2.536 20 5 FFBDLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000593661140 521137460 /nfs/dbraw/zinc/13/74/60/521137460.db2.gz JSGKARDXDXQTNG-CABCVRRESA-N 1 2 366.414 2.536 20 5 FFBDLO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000602152556 521174009 /nfs/dbraw/zinc/17/40/09/521174009.db2.gz WDHVXCVWROIJBV-AWEZNQCLSA-N 1 2 370.331 2.986 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H](OC(F)F)C1 ZINC000611587298 521239708 /nfs/dbraw/zinc/23/97/08/521239708.db2.gz VUAJQHZAKQCQJC-GFCCVEGCSA-N 1 2 366.324 2.624 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000599512188 521268848 /nfs/dbraw/zinc/26/88/48/521268848.db2.gz FLQNTODZQLPUGC-QWRGUYRKSA-N 1 2 357.357 2.765 20 5 FFBDLO Cn1cc(C[N@H+](C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c([N+](=O)[O-])n1 ZINC000602445673 521349506 /nfs/dbraw/zinc/34/95/06/521349506.db2.gz SLFICPXAMUJDNI-UONOGXRCSA-N 1 2 371.224 2.725 20 5 FFBDLO Cn1cc(C[N@@H+](C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c([N+](=O)[O-])n1 ZINC000602445673 521349513 /nfs/dbraw/zinc/34/95/13/521349513.db2.gz SLFICPXAMUJDNI-UONOGXRCSA-N 1 2 371.224 2.725 20 5 FFBDLO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602442030 521349898 /nfs/dbraw/zinc/34/98/98/521349898.db2.gz IXLNLJMCSBEGOR-SFYZADRCSA-N 1 2 362.249 2.505 20 5 FFBDLO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602442030 521349910 /nfs/dbraw/zinc/34/99/10/521349910.db2.gz IXLNLJMCSBEGOR-SFYZADRCSA-N 1 2 362.249 2.505 20 5 FFBDLO COc1ccc(NC(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1[N+](=O)[O-] ZINC000611825124 521351738 /nfs/dbraw/zinc/35/17/38/521351738.db2.gz LGUUUUFIWGMUHH-UHFFFAOYSA-N 1 2 369.381 2.924 20 5 FFBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000602484629 521373788 /nfs/dbraw/zinc/37/37/88/521373788.db2.gz KZEPGDLWOMTYBJ-CABCVRRESA-N 1 2 360.332 2.993 20 5 FFBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000602484629 521373792 /nfs/dbraw/zinc/37/37/92/521373792.db2.gz KZEPGDLWOMTYBJ-CABCVRRESA-N 1 2 360.332 2.993 20 5 FFBDLO COc1cc2c(cc1Cl)C[N@H+](CCn1c(C)ncc1[N+](=O)[O-])CC2 ZINC000602831154 521558973 /nfs/dbraw/zinc/55/89/73/521558973.db2.gz HDSPEWPEVMQXSY-UHFFFAOYSA-N 1 2 350.806 2.820 20 5 FFBDLO COc1cc2c(cc1Cl)C[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])CC2 ZINC000602831154 521558980 /nfs/dbraw/zinc/55/89/80/521558980.db2.gz HDSPEWPEVMQXSY-UHFFFAOYSA-N 1 2 350.806 2.820 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCN([C@H]4CCOC4)CC3)o2)c1 ZINC000597202544 521571681 /nfs/dbraw/zinc/57/16/81/521571681.db2.gz DWZIFSMYGNGXEL-KRWDZBQOSA-N 1 2 357.410 2.761 20 5 FFBDLO C[C@@H](C(=O)NCC1CC[NH+](CC(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000594360918 521575024 /nfs/dbraw/zinc/57/50/24/521575024.db2.gz ANEVMEDYCYIUCH-GFCCVEGCSA-N 1 2 355.385 2.792 20 5 FFBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000619507368 521602629 /nfs/dbraw/zinc/60/26/29/521602629.db2.gz JIIBWZZECPJNRI-UHFFFAOYSA-N 1 2 362.367 2.589 20 5 FFBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000619777817 521866238 /nfs/dbraw/zinc/86/62/38/521866238.db2.gz BBQAYHZEUIRWRA-KRWDZBQOSA-N 1 2 359.813 2.964 20 5 FFBDLO Cc1nc(NCc2cccc(OCC[NH+]3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC000471622576 561009005 /nfs/dbraw/zinc/00/90/05/561009005.db2.gz WPVZHFVLXADWIL-UHFFFAOYSA-N 1 2 372.425 2.621 20 5 FFBDLO O=C(C[N@@H+]1CCC=C(c2ccccn2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000584662880 567986157 /nfs/dbraw/zinc/98/61/57/567986157.db2.gz NWDVVYPDMKETJM-UHFFFAOYSA-N 1 2 364.405 2.668 20 5 FFBDLO O=C(C[N@H+]1CCC=C(c2ccccn2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000584662880 567986158 /nfs/dbraw/zinc/98/61/58/567986158.db2.gz NWDVVYPDMKETJM-UHFFFAOYSA-N 1 2 364.405 2.668 20 5 FFBDLO CC[C@@H]1C[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CCS1 ZINC000154772767 728811548 /nfs/dbraw/zinc/81/15/48/728811548.db2.gz UKOZCLXDIAABFV-CYBMUJFWSA-N 1 2 350.444 2.622 20 5 FFBDLO CC[C@@H]1C[N@@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CCS1 ZINC000154772767 728811552 /nfs/dbraw/zinc/81/15/52/728811552.db2.gz UKOZCLXDIAABFV-CYBMUJFWSA-N 1 2 350.444 2.622 20 5 FFBDLO COCCCOCC[N@H+](C)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000091026277 728452938 /nfs/dbraw/zinc/45/29/38/728452938.db2.gz ZVVQTFAJNBFOOW-UHFFFAOYSA-N 1 2 355.416 2.814 20 5 FFBDLO COCCCOCC[N@@H+](C)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000091026277 728452939 /nfs/dbraw/zinc/45/29/39/728452939.db2.gz ZVVQTFAJNBFOOW-UHFFFAOYSA-N 1 2 355.416 2.814 20 5 FFBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC000123661323 728660920 /nfs/dbraw/zinc/66/09/20/728660920.db2.gz QHNFRWXWZSUYKS-UHFFFAOYSA-N 1 2 363.326 2.687 20 5 FFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000874708179 732094650 /nfs/dbraw/zinc/09/46/50/732094650.db2.gz SQHWSIPRZMCKGJ-ZDUSSCGKSA-N 1 2 367.471 2.547 20 5 FFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000874708179 732094654 /nfs/dbraw/zinc/09/46/54/732094654.db2.gz SQHWSIPRZMCKGJ-ZDUSSCGKSA-N 1 2 367.471 2.547 20 5 FFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000878652616 732572297 /nfs/dbraw/zinc/57/22/97/732572297.db2.gz SJJPBUVBTGVMCB-CYBMUJFWSA-N 1 2 350.341 2.532 20 5 FFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000878652616 732572298 /nfs/dbraw/zinc/57/22/98/732572298.db2.gz SJJPBUVBTGVMCB-CYBMUJFWSA-N 1 2 350.341 2.532 20 5 FFBDLO CC1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC(F)(F)C1 ZINC000881520718 733063891 /nfs/dbraw/zinc/06/38/91/733063891.db2.gz GARXAARFXJOJLH-UHFFFAOYSA-N 1 2 350.325 2.946 20 5 FFBDLO C[C@H](CC(=O)NCc1ccc(Br)cc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000881864989 733122682 /nfs/dbraw/zinc/12/26/82/733122682.db2.gz ISCCWNKRIFNWQN-SNVBAGLBSA-N 1 2 367.203 2.821 20 5 FFBDLO COc1c(O)ccc(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1[N+](=O)[O-] ZINC000894561872 734880055 /nfs/dbraw/zinc/88/00/55/734880055.db2.gz ZSFDWMSEVIVCGB-LBPRGKRZSA-N 1 2 352.778 2.606 20 5 FFBDLO COc1c(O)ccc(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1[N+](=O)[O-] ZINC000894561872 734880057 /nfs/dbraw/zinc/88/00/57/734880057.db2.gz ZSFDWMSEVIVCGB-LBPRGKRZSA-N 1 2 352.778 2.606 20 5 FFBDLO COc1c(O)ccc(C[N@@H+]2CC[C@H](C(F)(F)F)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000895939042 735077186 /nfs/dbraw/zinc/07/71/86/735077186.db2.gz HPOVLVBVOCYHIL-JOYOIKCWSA-N 1 2 364.320 2.851 20 5 FFBDLO COc1c(O)ccc(C[N@H+]2CC[C@H](C(F)(F)F)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000895939042 735077191 /nfs/dbraw/zinc/07/71/91/735077191.db2.gz HPOVLVBVOCYHIL-JOYOIKCWSA-N 1 2 364.320 2.851 20 5 FFBDLO CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1(C(F)(F)F)CC1 ZINC000906213691 736471631 /nfs/dbraw/zinc/47/16/31/736471631.db2.gz CXANWKQSDBOVIL-UHFFFAOYSA-N 1 2 354.288 2.947 20 5 FFBDLO O=C(NCCNc1cccc[nH+]1)c1cccc([N+](=O)[O-])c1Br ZINC000760787743 736669048 /nfs/dbraw/zinc/66/90/48/736669048.db2.gz OLPNLULZRQTPBX-UHFFFAOYSA-N 1 2 365.187 2.594 20 5 FFBDLO COC(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000769484959 737534355 /nfs/dbraw/zinc/53/43/55/737534355.db2.gz XVWVZOKJIIYOBV-LLVKDONJSA-N 1 2 357.204 2.885 20 5 FFBDLO COC(=O)C[C@H]1CCC[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000769484959 737534361 /nfs/dbraw/zinc/53/43/61/737534361.db2.gz XVWVZOKJIIYOBV-LLVKDONJSA-N 1 2 357.204 2.885 20 5 FFBDLO Cc1nn(C[NH+]2CCC(COc3ccc(Cl)nc3)CC2)cc1[N+](=O)[O-] ZINC000788366087 739238058 /nfs/dbraw/zinc/23/80/58/739238058.db2.gz LJUMDIHQMAAZTM-UHFFFAOYSA-N 1 2 365.821 2.897 20 5 FFBDLO CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])CC1(C)C ZINC000931994069 739368555 /nfs/dbraw/zinc/36/85/55/739368555.db2.gz ODCIDXAYVQQWBT-ZDUSSCGKSA-N 1 2 350.419 2.725 20 5 FFBDLO CC(C)(C)OC(=O)N[C@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])CC1(C)C ZINC000931994069 739368559 /nfs/dbraw/zinc/36/85/59/739368559.db2.gz ODCIDXAYVQQWBT-ZDUSSCGKSA-N 1 2 350.419 2.725 20 5 FFBDLO COc1cc(C[NH+]2CCC(CO)(C(F)(F)F)CC2)c([N+](=O)[O-])cc1F ZINC000932828518 739527326 /nfs/dbraw/zinc/52/73/26/739527326.db2.gz VWSTYWSDTCCPPW-UHFFFAOYSA-N 1 2 366.311 2.879 20 5 FFBDLO CCOc1cc(C[N@@H+]2CCOC[C@@H]2C[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000933664978 739669090 /nfs/dbraw/zinc/66/90/90/739669090.db2.gz HYVLACBPDQMTHD-CVEARBPZSA-N 1 2 350.415 2.621 20 5 FFBDLO CCOc1cc(C[N@H+]2CCOC[C@@H]2C[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000933664978 739669092 /nfs/dbraw/zinc/66/90/92/739669092.db2.gz HYVLACBPDQMTHD-CVEARBPZSA-N 1 2 350.415 2.621 20 5 FFBDLO Cn1cc[nH+]c1CCCOC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000802784498 740730925 /nfs/dbraw/zinc/73/09/25/740730925.db2.gz QMEDSDJHEVHRMG-UHFFFAOYSA-N 1 2 355.297 2.719 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1F ZINC000829806921 745263177 /nfs/dbraw/zinc/26/31/77/745263177.db2.gz UUXALUCDMWCUDF-UHFFFAOYSA-N 1 2 350.325 2.924 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1F ZINC000829806921 745263182 /nfs/dbraw/zinc/26/31/82/745263182.db2.gz UUXALUCDMWCUDF-UHFFFAOYSA-N 1 2 350.325 2.924 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000830498332 745370788 /nfs/dbraw/zinc/37/07/88/745370788.db2.gz IVQGKCYQJARMDR-HNNXBMFYSA-N 1 2 351.403 2.655 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000830498332 745370791 /nfs/dbraw/zinc/37/07/91/745370791.db2.gz IVQGKCYQJARMDR-HNNXBMFYSA-N 1 2 351.403 2.655 20 5 FFBDLO CSCC1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000834346086 745821458 /nfs/dbraw/zinc/82/14/58/745821458.db2.gz KUXMEIOBNYDRHI-UHFFFAOYSA-N 1 2 360.439 2.996 20 5 FFBDLO COC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839481376 746835835 /nfs/dbraw/zinc/83/58/35/746835835.db2.gz XVZGOGOJTVXTCE-LBPRGKRZSA-N 1 2 369.805 2.604 20 5 FFBDLO COC(=O)C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839481376 746835842 /nfs/dbraw/zinc/83/58/42/746835842.db2.gz XVZGOGOJTVXTCE-LBPRGKRZSA-N 1 2 369.805 2.604 20 5 FFBDLO Cc1noc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000852216720 749805613 /nfs/dbraw/zinc/80/56/13/749805613.db2.gz LEYGDWJPGALNBE-ZYHUDNBSSA-N 1 2 354.407 2.769 20 5 FFBDLO Cc1noc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000852216720 749805619 /nfs/dbraw/zinc/80/56/19/749805619.db2.gz LEYGDWJPGALNBE-ZYHUDNBSSA-N 1 2 354.407 2.769 20 5 FFBDLO O=[N+]([O-])c1ccc(Nc2ccc(N3CC[NH+](C4COC4)CC3)cc2)cc1 ZINC001174480983 1013235342 /nfs/dbraw/zinc/23/53/42/1013235342.db2.gz UKZFFHKMDGPFKC-UHFFFAOYSA-N 1 2 354.410 2.859 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H](O)c3c(F)cccc3F)CC2)cc1 ZINC000051093582 963983514 /nfs/dbraw/zinc/98/35/14/963983514.db2.gz ZVGZKMZCSZCIBF-QGZVFWFLSA-N 1 2 363.364 2.729 20 5 FFBDLO O=C1C[C@H](C2CC2)CN1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000134788929 965445189 /nfs/dbraw/zinc/44/51/89/965445189.db2.gz YHHIECLVFRMAHZ-HNNXBMFYSA-N 1 2 359.426 2.654 20 5 FFBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000843760914 965772808 /nfs/dbraw/zinc/77/28/08/965772808.db2.gz UMVJIHDNAQDYLB-UHFFFAOYSA-N 1 2 358.373 2.968 20 5 FFBDLO CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000796547707 1014244722 /nfs/dbraw/zinc/24/47/22/1014244722.db2.gz LOTAOXFDWZESFC-CQSZACIVSA-N 1 2 366.374 2.556 20 5 FFBDLO CN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000796547707 1014244730 /nfs/dbraw/zinc/24/47/30/1014244730.db2.gz LOTAOXFDWZESFC-CQSZACIVSA-N 1 2 366.374 2.556 20 5 FFBDLO O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001126248688 975634390 /nfs/dbraw/zinc/63/43/90/975634390.db2.gz AUZMNQKTYADIHD-UHFFFAOYSA-N 1 2 367.321 2.619 20 5 FFBDLO C[C@@H]1CN(c2ccc(NC3CC(n4cc([N+](=O)[O-])cn4)C3)c[nH+]2)C[C@@H](C)O1 ZINC000877161133 1014495151 /nfs/dbraw/zinc/49/51/51/1014495151.db2.gz GCEOHMTYMWSTGL-KCNJBTMXSA-N 1 2 372.429 2.616 20 5 FFBDLO C/C(=C/C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C[NH+]1CCOCC1 ZINC000908970109 981579908 /nfs/dbraw/zinc/57/99/08/981579908.db2.gz ZJMJWETVGANZGH-BBLCHGJFSA-N 1 2 373.453 2.579 20 5 FFBDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000172954945 985725392 /nfs/dbraw/zinc/72/53/92/985725392.db2.gz JCDOXYKWPRFUJV-KRWDZBQOSA-N 1 2 365.384 2.796 20 5 FFBDLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000672146475 987197801 /nfs/dbraw/zinc/19/78/01/987197801.db2.gz MUJJVPZMVKWADK-ZDUSSCGKSA-N 1 2 358.401 2.623 20 5 FFBDLO CC(=O)Nc1ccc(OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000032049261 987738052 /nfs/dbraw/zinc/73/80/52/987738052.db2.gz FUJASZSNGHHTLV-UHFFFAOYSA-N 1 2 366.333 2.958 20 5 FFBDLO CCOc1ccc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000126338362 989092388 /nfs/dbraw/zinc/09/23/88/989092388.db2.gz VAPFHNWTRRKOAS-BBRMVZONSA-N 1 2 358.398 2.913 20 5 FFBDLO CC[N@@H+](Cc1ccccc1C)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000917437545 990217380 /nfs/dbraw/zinc/21/73/80/990217380.db2.gz XRSCZPPSFKGPCC-UHFFFAOYSA-N 1 2 353.378 2.979 20 5 FFBDLO CC[N@H+](Cc1ccccc1C)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000917437545 990217385 /nfs/dbraw/zinc/21/73/85/990217385.db2.gz XRSCZPPSFKGPCC-UHFFFAOYSA-N 1 2 353.378 2.979 20 5 FFBDLO Cc1ncc(COC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c(C)n1 ZINC001127470537 990594766 /nfs/dbraw/zinc/59/47/66/990594766.db2.gz XQCCOHVAEPGGDQ-UHFFFAOYSA-N 1 2 353.338 2.544 20 5 FFBDLO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CC[NH+](CCc2ccncc2)CC1 ZINC000825100245 997197391 /nfs/dbraw/zinc/19/73/91/997197391.db2.gz ZQZQBQSZQHMVQE-UHFFFAOYSA-N 1 2 374.828 2.644 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC(Oc2ccccc2)C1 ZINC001144113890 998030633 /nfs/dbraw/zinc/03/06/33/998030633.db2.gz UFWLSHNUNNEXCR-UHFFFAOYSA-N 1 2 364.361 2.684 20 5 FFBDLO C[C@H](CC(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)n1cc[nH+]c1 ZINC000845458076 998545399 /nfs/dbraw/zinc/54/53/99/998545399.db2.gz XVQLTHPXFMJAFX-CQSZACIVSA-N 1 2 373.413 2.597 20 5 FFBDLO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000745083970 999894359 /nfs/dbraw/zinc/89/43/59/999894359.db2.gz PIWQYOOFWPZREA-XJKSGUPXSA-N 1 2 363.414 2.648 20 5 FFBDLO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000745083970 999894360 /nfs/dbraw/zinc/89/43/60/999894360.db2.gz PIWQYOOFWPZREA-XJKSGUPXSA-N 1 2 363.414 2.648 20 5 FFBDLO C[C@H](O)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1ccccc1 ZINC001149027037 1001253122 /nfs/dbraw/zinc/25/31/22/1001253122.db2.gz NVLFVEMFBKDYTM-UGSOOPFHSA-N 1 2 366.377 2.632 20 5 FFBDLO Cn1cc[nH+]c1C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccccc1 ZINC000787077282 1001659267 /nfs/dbraw/zinc/65/92/67/1001659267.db2.gz ANBYQZCXAWXOPF-QGZVFWFLSA-N 1 2 365.393 2.624 20 5 FFBDLO Cc1nn(C[N@@H+]2CCCN(c3ccc(F)c(F)c3)CC2)c(C)c1[N+](=O)[O-] ZINC000789444595 1002082476 /nfs/dbraw/zinc/08/24/76/1002082476.db2.gz WCUOADQZMQVVQE-UHFFFAOYSA-N 1 2 365.384 2.856 20 5 FFBDLO Cc1nn(C[N@H+]2CCCN(c3ccc(F)c(F)c3)CC2)c(C)c1[N+](=O)[O-] ZINC000789444595 1002082486 /nfs/dbraw/zinc/08/24/86/1002082486.db2.gz WCUOADQZMQVVQE-UHFFFAOYSA-N 1 2 365.384 2.856 20 5 FFBDLO COc1cccc2c1CC[C@@]2(CO)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001183520856 1002290994 /nfs/dbraw/zinc/29/09/94/1002290994.db2.gz SPEGAFDVOCBHAX-IBGZPJMESA-N 1 2 369.377 2.668 20 5 FFBDLO CCOC(=O)c1cc([N+](=O)[O-])c(NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)cc1C ZINC001186990169 1003521733 /nfs/dbraw/zinc/52/17/33/1003521733.db2.gz SJYGMNGDLTUNBA-UONOGXRCSA-N 1 2 365.430 2.601 20 5 FFBDLO CCOC(=O)c1cc([N+](=O)[O-])c(NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)cc1C ZINC001186990169 1003521742 /nfs/dbraw/zinc/52/17/42/1003521742.db2.gz SJYGMNGDLTUNBA-UONOGXRCSA-N 1 2 365.430 2.601 20 5 FFBDLO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000804404468 1003643979 /nfs/dbraw/zinc/64/39/79/1003643979.db2.gz OVXWEAFKWMKJNB-UHFFFAOYSA-N 1 2 358.354 2.531 20 5 FFBDLO CC[C@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCO[C@@H](CC)C1 ZINC001137531559 1004581388 /nfs/dbraw/zinc/58/13/88/1004581388.db2.gz VSMHRIUYIKLTAY-GOEBONIOSA-N 1 2 369.849 2.754 20 5 FFBDLO CC[C@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCO[C@@H](CC)C1 ZINC001137531559 1004581397 /nfs/dbraw/zinc/58/13/97/1004581397.db2.gz VSMHRIUYIKLTAY-GOEBONIOSA-N 1 2 369.849 2.754 20 5 FFBDLO Cc1noc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1[N+](=O)[O-] ZINC000851791313 1005914068 /nfs/dbraw/zinc/91/40/68/1005914068.db2.gz XIGWXORCFFVZTO-UHFFFAOYSA-N 1 2 362.342 2.843 20 5 FFBDLO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000852443969 1006026399 /nfs/dbraw/zinc/02/63/99/1006026399.db2.gz QBZXRPCPPAYMNI-MRXNPFEDSA-N 1 2 361.354 2.989 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2ncn(C[NH+]3CCC(c4ccon4)CC3)n2)c1 ZINC000853592235 1006463775 /nfs/dbraw/zinc/46/37/75/1006463775.db2.gz JGURWARRJRKENU-UHFFFAOYSA-N 1 2 354.370 2.678 20 5 FFBDLO COC(=O)N1CCN(c2ccc(Nc3ccccc3[N+](=O)[O-])c[nH+]2)CC1 ZINC000814933865 1006471614 /nfs/dbraw/zinc/47/16/14/1006471614.db2.gz DBEGPRBZQYXHJJ-UHFFFAOYSA-N 1 2 357.370 2.622 20 5 FFBDLO Cc1c(C[NH+]2CC(C)(c3nnc(C4CCOCC4)o3)C2)cccc1[N+](=O)[O-] ZINC000854075275 1006662418 /nfs/dbraw/zinc/66/24/18/1006662418.db2.gz MAVVDWPMTJJULZ-UHFFFAOYSA-N 1 2 372.425 2.954 20 5 FFBDLO O=C(Cc1ccccc1[N+](=O)[O-])OCc1cccc(C[NH+]2CCOCC2)c1 ZINC000817178611 1007457496 /nfs/dbraw/zinc/45/74/96/1007457496.db2.gz BXRINAGYGREKOS-UHFFFAOYSA-N 1 2 370.405 2.713 20 5 FFBDLO O=C(N[C@@H]1COc2ccccc2C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001136241471 1008192603 /nfs/dbraw/zinc/19/26/03/1008192603.db2.gz RIBFBLCFAMHEEK-HNNXBMFYSA-N 1 2 364.361 2.514 20 5 FFBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000819902992 1008247781 /nfs/dbraw/zinc/24/77/81/1008247781.db2.gz UAHADYIXGWSWTK-KRWDZBQOSA-N 1 2 373.409 2.741 20 5 FFBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000819902992 1008247783 /nfs/dbraw/zinc/24/77/83/1008247783.db2.gz UAHADYIXGWSWTK-KRWDZBQOSA-N 1 2 373.409 2.741 20 5 FFBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000820502627 1008346211 /nfs/dbraw/zinc/34/62/11/1008346211.db2.gz AMRBLUYKMAXTJL-UHFFFAOYSA-N 1 2 371.784 2.946 20 5 FFBDLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859811237 1008675292 /nfs/dbraw/zinc/67/52/92/1008675292.db2.gz JZFULTRGWZLYDN-IYBDPMFKSA-N 1 2 356.378 2.768 20 5 FFBDLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859811237 1008675297 /nfs/dbraw/zinc/67/52/97/1008675297.db2.gz JZFULTRGWZLYDN-IYBDPMFKSA-N 1 2 356.378 2.768 20 5 FFBDLO CC(C)OC(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000886721520 1008844211 /nfs/dbraw/zinc/84/42/11/1008844211.db2.gz BAPCKAOWZBPVFV-UHFFFAOYSA-N 1 2 364.398 2.625 20 5 FFBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861670808 1009504932 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O=C(Nc1nc2c(s1)CCC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001349018909 1055053331 /nfs/dbraw/zinc/05/33/31/1055053331.db2.gz ZUKZPCKUGTVJGK-UHFFFAOYSA-N 1 2 355.379 2.978 20 5 FFBDLO Cn1cc([N+](=O)[O-])cc1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001544310101 1071626208 /nfs/dbraw/zinc/62/62/08/1071626208.db2.gz NJHXGVNJJGSLRJ-UHFFFAOYSA-N 1 2 359.773 2.702 20 5 FFBDLO C[C@@H]1C[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C[C@@]2(CCCOC2)O1 ZINC000848487313 1060133262 /nfs/dbraw/zinc/13/32/62/1060133262.db2.gz QZDHWVIZZMTFLP-DNVCBOLYSA-N 1 2 372.425 2.686 20 5 FFBDLO C[C@@H]1C[N@@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C[C@@]2(CCCOC2)O1 ZINC000848487313 1060133273 /nfs/dbraw/zinc/13/32/73/1060133273.db2.gz QZDHWVIZZMTFLP-DNVCBOLYSA-N 1 2 372.425 2.686 20 5 FFBDLO O=C(N1CCC[C@H](c2[nH]cc[nH+]2)C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848581716 1060309246 /nfs/dbraw/zinc/30/92/46/1060309246.db2.gz PXWTUSWBBKAPMP-NSHDSACASA-N 1 2 366.324 2.696 20 5 FFBDLO Cc1cc(NCCNC(=O)Cc2ccc([N+](=O)[O-])cc2)nc(C(C)C)[nH+]1 ZINC000600367566 1060316067 /nfs/dbraw/zinc/31/60/67/1060316067.db2.gz UZQUDSDTQZPSLC-UHFFFAOYSA-N 1 2 357.414 2.587 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(NC3=[NH+]CCN3)c(Cl)c2)n1 ZINC001457936987 1060476319 /nfs/dbraw/zinc/47/63/19/1060476319.db2.gz PCPPFYQJFCXBDT-UHFFFAOYSA-N 1 2 374.788 2.575 20 5 FFBDLO Cc1ccc(C[N@@H+]2CCO[C@H](CNc3ncc([N+](=O)[O-])cc3C)C2)cc1 ZINC001458590180 1060630295 /nfs/dbraw/zinc/63/02/95/1060630295.db2.gz FSEKUAZUTXAOPE-GOSISDBHSA-N 1 2 356.426 2.920 20 5 FFBDLO Cc1ccc(C[N@H+]2CCO[C@H](CNc3ncc([N+](=O)[O-])cc3C)C2)cc1 ZINC001458590180 1060630303 /nfs/dbraw/zinc/63/03/03/1060630303.db2.gz FSEKUAZUTXAOPE-GOSISDBHSA-N 1 2 356.426 2.920 20 5 FFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2ncccn2)C1 ZINC001460790477 1061103928 /nfs/dbraw/zinc/10/39/28/1061103928.db2.gz GZDRKXTZZRIQCY-KBPBESRZSA-N 1 2 355.398 2.591 20 5 FFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](c2ncccn2)C1 ZINC001460790477 1061103938 /nfs/dbraw/zinc/10/39/38/1061103938.db2.gz GZDRKXTZZRIQCY-KBPBESRZSA-N 1 2 355.398 2.591 20 5 FFBDLO COc1cnc([C@H]2CCC[N@@H+]2CCCOc2ccc([N+](=O)[O-])cc2)[nH]c1=O ZINC001460911757 1061147622 /nfs/dbraw/zinc/14/76/22/1061147622.db2.gz QRUZGLIBCLDFNE-OAHLLOKOSA-N 1 2 374.397 2.705 20 5 FFBDLO COc1cnc([C@H]2CCC[N@H+]2CCCOc2ccc([N+](=O)[O-])cc2)[nH]c1=O ZINC001460911757 1061147627 /nfs/dbraw/zinc/14/76/27/1061147627.db2.gz QRUZGLIBCLDFNE-OAHLLOKOSA-N 1 2 374.397 2.705 20 5 FFBDLO Cc1cc(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc(C)[nH+]1 ZINC001529059351 1062147759 /nfs/dbraw/zinc/14/77/59/1062147759.db2.gz AENODQROZLMWAP-UHFFFAOYSA-N 1 2 351.366 2.722 20 5 FFBDLO Cc1ccc(C)c(S(=O)(=O)N2CC[N@@H+](C)[C@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC001464473522 1062632102 /nfs/dbraw/zinc/63/21/02/1062632102.db2.gz XSMPFMRGDSOFRO-AWEZNQCLSA-N 1 2 369.487 2.562 20 5 FFBDLO Cc1ccc(C)c(S(=O)(=O)N2CC[N@H+](C)[C@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC001464473522 1062632107 /nfs/dbraw/zinc/63/21/07/1062632107.db2.gz XSMPFMRGDSOFRO-AWEZNQCLSA-N 1 2 369.487 2.562 20 5 FFBDLO O=C(Nc1c2c(ccc1F)OCO2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001438701354 1063037000 /nfs/dbraw/zinc/03/70/00/1063037000.db2.gz HMEZMZDTQJNFKA-UHFFFAOYSA-N 1 2 370.296 2.901 20 5 FFBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC001466783965 1063557046 /nfs/dbraw/zinc/55/70/46/1063557046.db2.gz FEPVSJSMTCGVQQ-UHFFFAOYSA-N 1 2 363.443 2.997 20 5 FFBDLO O=C(NC[C@@H]1CCC2(CCC2)CO1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001584384653 1079347049 /nfs/dbraw/zinc/34/70/49/1079347049.db2.gz ILCQDNJKXGGJQO-HNNXBMFYSA-N 1 2 370.409 2.860 20 5 FFBDLO COc1cccc([C@H]2CN(C(=O)c3cc([N+](=O)[O-])c(F)cc3C)CC[NH2+]2)c1 ZINC001557821385 1075895051 /nfs/dbraw/zinc/89/50/51/1075895051.db2.gz LRNPAIRYZWTYRS-QGZVFWFLSA-N 1 2 373.384 2.838 20 5 FFBDLO CCOC(=O)c1ccnc(N2CCC[C@H]2c2[nH]c(C)c(C)[nH+]2)c1[N+](=O)[O-] ZINC001559279418 1076144735 /nfs/dbraw/zinc/14/47/35/1076144735.db2.gz OWLSCLXUCDMUCW-ZDUSSCGKSA-N 1 2 359.386 2.848 20 5 FFBDLO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(c2ccc(F)cc2Cl)CC1 ZINC001559659142 1076180711 /nfs/dbraw/zinc/18/07/11/1076180711.db2.gz BLFSWLGLZZXYLE-UHFFFAOYSA-N 1 2 367.812 2.714 20 5 FFBDLO COC(=O)COc1ccccc1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001560697790 1076292454 /nfs/dbraw/zinc/29/24/54/1076292454.db2.gz OWSNLMRSTJPPFH-UHFFFAOYSA-N 1 2 356.378 2.705 20 5 FFBDLO COC(=O)COc1ccccc1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001560697790 1076292458 /nfs/dbraw/zinc/29/24/58/1076292458.db2.gz OWSNLMRSTJPPFH-UHFFFAOYSA-N 1 2 356.378 2.705 20 5 FFBDLO Cc1cccc([C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])[NH+]2CCOCC2)c1 ZINC000029420281 249349039 /nfs/dbraw/zinc/34/90/39/249349039.db2.gz LZPUCDCTCUUWIO-LJQANCHMSA-N 1 2 369.421 2.707 20 5 FFBDLO CC[N@H+](CCS(C)(=O)=O)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093816043 250048498 /nfs/dbraw/zinc/04/84/98/250048498.db2.gz RIXUNTXBMPLZJH-UHFFFAOYSA-N 1 2 352.412 2.721 20 5 FFBDLO CC[N@@H+](CCS(C)(=O)=O)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093816043 250048502 /nfs/dbraw/zinc/04/85/02/250048502.db2.gz RIXUNTXBMPLZJH-UHFFFAOYSA-N 1 2 352.412 2.721 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000151395473 251069905 /nfs/dbraw/zinc/06/99/05/251069905.db2.gz HWUYOLMRMIHWMI-ZDUSSCGKSA-N 1 2 373.413 2.824 20 5 FFBDLO O=[N+]([O-])c1cccc(CN(CCC[NH+]2CCOCC2)Cc2ccncc2)c1 ZINC000272391664 252027561 /nfs/dbraw/zinc/02/75/61/252027561.db2.gz GVFDBBHRTLPZFB-UHFFFAOYSA-N 1 2 370.453 2.714 20 5 FFBDLO O=C(NCc1ccc(N2CCCCC2)[nH+]c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272631904 252087039 /nfs/dbraw/zinc/08/70/39/252087039.db2.gz WJIYHSREXBQGMZ-UHFFFAOYSA-N 1 2 356.382 2.616 20 5 FFBDLO Cc1ccc2[nH]c([C@H]3CCCN(c4ncc([N+](=O)[O-])c(N)n4)C3)[nH+]c2c1 ZINC000273093899 252213193 /nfs/dbraw/zinc/21/31/93/252213193.db2.gz KGJBFZJOKGEXRK-NSHDSACASA-N 1 2 353.386 2.536 20 5 FFBDLO Cc1nnc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000273539324 252326796 /nfs/dbraw/zinc/32/67/96/252326796.db2.gz AHMXQFHOJQNOQG-SSDOTTSWSA-N 1 2 355.807 2.697 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000276367913 256093887 /nfs/dbraw/zinc/09/38/87/256093887.db2.gz CGCGLEVEOFQHRD-GUYCJALGSA-N 1 2 373.413 2.987 20 5 FFBDLO CCCC[N@H+](Cc1ccc([N+](=O)[O-])c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000276982748 256149281 /nfs/dbraw/zinc/14/92/81/256149281.db2.gz YOMQATCYFHTKPX-OAHLLOKOSA-N 1 2 370.471 2.783 20 5 FFBDLO CCCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000276982748 256149284 /nfs/dbraw/zinc/14/92/84/256149284.db2.gz YOMQATCYFHTKPX-OAHLLOKOSA-N 1 2 370.471 2.783 20 5 FFBDLO CN(Cc1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1)c1ccccc1[N+](=O)[O-] ZINC000278238616 256290844 /nfs/dbraw/zinc/29/08/44/256290844.db2.gz YXNARXBVQPQJTO-CZUORRHYSA-N 1 2 373.413 2.540 20 5 FFBDLO CN(Cc1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1)c1ccccc1[N+](=O)[O-] ZINC000278238616 256290846 /nfs/dbraw/zinc/29/08/46/256290846.db2.gz YXNARXBVQPQJTO-CZUORRHYSA-N 1 2 373.413 2.540 20 5 FFBDLO C[C@@H](c1nccs1)[NH+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278539069 256323640 /nfs/dbraw/zinc/32/36/40/256323640.db2.gz UTYNUSDONUJJRE-NSHDSACASA-N 1 2 358.427 2.811 20 5 FFBDLO CC(C)(C)[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000279219722 256394751 /nfs/dbraw/zinc/39/47/51/256394751.db2.gz FNQWXBDZSVAYSQ-INIZCTEOSA-N 1 2 358.398 2.668 20 5 FFBDLO CC[NH+]1CCN(c2ccccc2NC(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000281097167 256602570 /nfs/dbraw/zinc/60/25/70/256602570.db2.gz FMFHXXWKEIWVAX-UHFFFAOYSA-N 1 2 370.409 2.695 20 5 FFBDLO COc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c([N+](=O)[O-])cc1F ZINC000286664788 257048400 /nfs/dbraw/zinc/04/84/00/257048400.db2.gz UVMFRMCEPBWWEF-QWRGUYRKSA-N 1 2 366.311 2.735 20 5 FFBDLO COc1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c([N+](=O)[O-])cc1F ZINC000286664788 257048401 /nfs/dbraw/zinc/04/84/01/257048401.db2.gz UVMFRMCEPBWWEF-QWRGUYRKSA-N 1 2 366.311 2.735 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000289366861 257277220 /nfs/dbraw/zinc/27/72/20/257277220.db2.gz AYFUFDVHRUUXEN-GHMZBOCLSA-N 1 2 357.357 2.908 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000289366861 257277221 /nfs/dbraw/zinc/27/72/21/257277221.db2.gz AYFUFDVHRUUXEN-GHMZBOCLSA-N 1 2 357.357 2.908 20 5 FFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)ccc1Br ZINC000291310391 257397100 /nfs/dbraw/zinc/39/71/00/257397100.db2.gz RNFNBZSIZQGCNT-JTQLQIEISA-N 1 2 365.174 2.807 20 5 FFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC(F)(F)[C@H](CO)C2)ccc1Br ZINC000291310391 257397101 /nfs/dbraw/zinc/39/71/01/257397101.db2.gz RNFNBZSIZQGCNT-JTQLQIEISA-N 1 2 365.174 2.807 20 5 FFBDLO O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CC[NH+](C2CC2)CC1 ZINC000301073281 258023184 /nfs/dbraw/zinc/02/31/84/258023184.db2.gz GANXHWIWYYSVJS-UHFFFAOYSA-N 1 2 360.292 2.806 20 5 FFBDLO Cc1ccnc(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)c1[N+](=O)[O-] ZINC000301298548 258040681 /nfs/dbraw/zinc/04/06/81/258040681.db2.gz PYORKPIDJXIIER-KBPBESRZSA-N 1 2 357.414 2.919 20 5 FFBDLO C[C@H]1C[NH+]=C(N2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)S1 ZINC000301602132 258058195 /nfs/dbraw/zinc/05/81/95/258058195.db2.gz VZJUXPWJMCFNSB-JTQLQIEISA-N 1 2 372.397 2.810 20 5 FFBDLO CCOC(=O)c1cc(N[C@H]2CCN(c3cccc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000301789518 258067914 /nfs/dbraw/zinc/06/79/14/258067914.db2.gz YHJWYCSZGNZWAT-AWEZNQCLSA-N 1 2 356.382 2.857 20 5 FFBDLO CN(Cc1[nH+]ccn1C)c1ccc(I)cc1[N+](=O)[O-] ZINC000301929044 258076043 /nfs/dbraw/zinc/07/60/43/258076043.db2.gz NQHHBPHHENJPFJ-UHFFFAOYSA-N 1 2 372.166 2.569 20 5 FFBDLO CC(C)(C)[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1O ZINC000330693690 258168369 /nfs/dbraw/zinc/16/83/69/258168369.db2.gz CJYICGLAIRCLKJ-IUODEOHRSA-N 1 2 369.849 2.916 20 5 FFBDLO CC(C)(C)[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1O ZINC000330693690 258168370 /nfs/dbraw/zinc/16/83/70/258168370.db2.gz CJYICGLAIRCLKJ-IUODEOHRSA-N 1 2 369.849 2.916 20 5 FFBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cncc(Br)c3)CC2)n1 ZINC000332466711 258231397 /nfs/dbraw/zinc/23/13/97/258231397.db2.gz SFOQYOZAAOTBEZ-UHFFFAOYSA-N 1 2 366.219 2.786 20 5 FFBDLO CN(Cc1cn2c([nH+]1)CCCC2)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000372996725 512124854 /nfs/dbraw/zinc/12/48/54/512124854.db2.gz LXFWVFFORRHSMY-UHFFFAOYSA-N 1 2 358.398 2.626 20 5 FFBDLO CC[C@@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000373043396 512146528 /nfs/dbraw/zinc/14/65/28/512146528.db2.gz BWOTVKUBWSVEAN-RISCZKNCSA-N 1 2 374.363 2.556 20 5 FFBDLO Cc1ccc(C(=O)N2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000052752870 506245909 /nfs/dbraw/zinc/24/59/09/506245909.db2.gz FGYIILCBTZFLPU-UHFFFAOYSA-N 1 2 369.421 2.740 20 5 FFBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000033043796 506328253 /nfs/dbraw/zinc/32/82/53/506328253.db2.gz PDOZQUWQOYALFJ-UHFFFAOYSA-N 1 2 369.406 2.827 20 5 FFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000053340699 506358255 /nfs/dbraw/zinc/35/82/55/506358255.db2.gz XYKCSQIZNRAXSR-INIZCTEOSA-N 1 2 369.356 2.690 20 5 FFBDLO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000366726711 512160476 /nfs/dbraw/zinc/16/04/76/512160476.db2.gz ANSFWONTMAKMNE-UHFFFAOYSA-N 1 2 373.319 2.571 20 5 FFBDLO Nc1c(C(=O)N2CC[NH2+][C@@H](c3ccccc3Cl)C2)cccc1[N+](=O)[O-] ZINC000366911216 512245265 /nfs/dbraw/zinc/24/52/65/512245265.db2.gz LSJQQKXJRWIVDJ-CQSZACIVSA-N 1 2 360.801 2.617 20 5 FFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC3(C2)Oc2ccccc2O3)c([N+](=O)[O-])c1 ZINC000377485051 512289128 /nfs/dbraw/zinc/28/91/28/512289128.db2.gz OHFOTJNQIRZAEY-UHFFFAOYSA-N 1 2 357.322 2.876 20 5 FFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC3(C2)Oc2ccccc2O3)c([N+](=O)[O-])c1 ZINC000377485051 512289134 /nfs/dbraw/zinc/28/91/34/512289134.db2.gz OHFOTJNQIRZAEY-UHFFFAOYSA-N 1 2 357.322 2.876 20 5 FFBDLO CCc1[nH+]c2ccccc2n1CC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000009889864 506715784 /nfs/dbraw/zinc/71/57/84/506715784.db2.gz UHIJMMVNSDMIIS-UHFFFAOYSA-N 1 2 367.409 2.735 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000067059018 506740169 /nfs/dbraw/zinc/74/01/69/506740169.db2.gz HKYFRWGHXTVDQQ-UHFFFAOYSA-N 1 2 368.437 2.903 20 5 FFBDLO O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000055388404 506740914 /nfs/dbraw/zinc/74/09/14/506740914.db2.gz IQKDPFVQSGHEDP-UHFFFAOYSA-N 1 2 366.381 2.630 20 5 FFBDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000043806535 506782761 /nfs/dbraw/zinc/78/27/61/506782761.db2.gz XNLPZPCILNUWEE-UHFFFAOYSA-N 1 2 368.393 2.838 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NC(=O)NCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000045231247 506936591 /nfs/dbraw/zinc/93/65/91/506936591.db2.gz VBJCWBLWDPBYBN-QGZVFWFLSA-N 1 2 365.393 2.917 20 5 FFBDLO CCOC(=O)C1CC[NH+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000015487462 507041743 /nfs/dbraw/zinc/04/17/43/507041743.db2.gz FMTOLBBSXOHKGF-LBPRGKRZSA-N 1 2 374.397 2.981 20 5 FFBDLO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccco3)CC2)cc1[N+](=O)[O-] ZINC000045932454 507048445 /nfs/dbraw/zinc/04/84/45/507048445.db2.gz HNZMNISPRNKTEK-UHFFFAOYSA-N 1 2 359.382 2.545 20 5 FFBDLO C[N@H+](CC(=O)NCC1(c2ccccc2)CC1)Cc1ccccc1[N+](=O)[O-] ZINC000046599388 507157269 /nfs/dbraw/zinc/15/72/69/507157269.db2.gz JSUGVQNXIIVDAO-UHFFFAOYSA-N 1 2 353.422 2.875 20 5 FFBDLO C[N@@H+](CC(=O)NCC1(c2ccccc2)CC1)Cc1ccccc1[N+](=O)[O-] ZINC000046599388 507157272 /nfs/dbraw/zinc/15/72/72/507157272.db2.gz JSUGVQNXIIVDAO-UHFFFAOYSA-N 1 2 353.422 2.875 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057440371 507265799 /nfs/dbraw/zinc/26/57/99/507265799.db2.gz KYPHJNZDAUHLTK-UHFFFAOYSA-N 1 2 372.400 2.803 20 5 FFBDLO COc1c(C)c[nH+]c(CN(C)C(=O)NCCc2ccc([N+](=O)[O-])cc2)c1C ZINC000057617916 507294855 /nfs/dbraw/zinc/29/48/55/507294855.db2.gz YLFXXOGGUIXHHZ-UHFFFAOYSA-N 1 2 372.425 2.999 20 5 FFBDLO CC[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047743385 507388255 /nfs/dbraw/zinc/38/82/55/507388255.db2.gz DAJYWMWFNNAGCQ-IRXDYDNUSA-N 1 2 374.485 2.896 20 5 FFBDLO Nc1c(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc(F)cc1[N+](=O)[O-] ZINC000058414873 507415866 /nfs/dbraw/zinc/41/58/66/507415866.db2.gz IYXQCRNWSJHHOK-UHFFFAOYSA-N 1 2 373.388 2.631 20 5 FFBDLO Cc1cccc(C[NH+]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)CC2)c1 ZINC000048244976 507487980 /nfs/dbraw/zinc/48/79/80/507487980.db2.gz RPYJQVAYLFKMQP-UHFFFAOYSA-N 1 2 372.400 2.583 20 5 FFBDLO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000025383665 507496593 /nfs/dbraw/zinc/49/65/93/507496593.db2.gz CVPDMRADKRYSGM-AWEZNQCLSA-N 1 2 361.423 2.929 20 5 FFBDLO COc1ccccc1C[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000026190514 507566308 /nfs/dbraw/zinc/56/63/08/507566308.db2.gz KXOPMSMHTZAQRC-UHFFFAOYSA-N 1 2 355.394 2.625 20 5 FFBDLO COc1ccccc1C[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000026190514 507566312 /nfs/dbraw/zinc/56/63/12/507566312.db2.gz KXOPMSMHTZAQRC-UHFFFAOYSA-N 1 2 355.394 2.625 20 5 FFBDLO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH+](Cc2ccncc2)CC1 ZINC000028693145 507736919 /nfs/dbraw/zinc/73/69/19/507736919.db2.gz SYXWGNQYJIKQHL-UHFFFAOYSA-N 1 2 360.801 2.601 20 5 FFBDLO COc1cccc(C(=O)N2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000051207622 507750434 /nfs/dbraw/zinc/75/04/34/507750434.db2.gz DCVMEHUAZRKHSU-UHFFFAOYSA-N 1 2 369.421 2.870 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000029081213 507758321 /nfs/dbraw/zinc/75/83/21/507758321.db2.gz KZYFZKXXYDUHRL-INIZCTEOSA-N 1 2 369.356 2.569 20 5 FFBDLO CCOc1ccc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1[N+](=O)[O-] ZINC000030298433 507805687 /nfs/dbraw/zinc/80/56/87/507805687.db2.gz IUUUVIRKUAGOCD-UHFFFAOYSA-N 1 2 370.409 2.919 20 5 FFBDLO NC(=O)c1ccc(NCc2cccc(Cn3cc[nH+]c3)c2)c([N+](=O)[O-])c1 ZINC000030587515 507811128 /nfs/dbraw/zinc/81/11/28/507811128.db2.gz FJWIYRFTAHCAQL-UHFFFAOYSA-N 1 2 351.366 2.551 20 5 FFBDLO C[C@H](NC(=O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000030909947 507814760 /nfs/dbraw/zinc/81/47/60/507814760.db2.gz OQNGVBWKGFUSDC-INIZCTEOSA-N 1 2 368.437 2.594 20 5 FFBDLO Cc1c[nH+]ccc1NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000107291408 507842280 /nfs/dbraw/zinc/84/22/80/507842280.db2.gz AWAFIDNOIAGGTG-QGZVFWFLSA-N 1 2 368.393 2.850 20 5 FFBDLO O=C(C[N@@H+]1CCOC2(CCCCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000072717275 507846270 /nfs/dbraw/zinc/84/62/70/507846270.db2.gz AZNRNPOQJMJMSG-UHFFFAOYSA-N 1 2 359.426 2.519 20 5 FFBDLO O=C(C[N@H+]1CCOC2(CCCCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000072717275 507846271 /nfs/dbraw/zinc/84/62/71/507846271.db2.gz AZNRNPOQJMJMSG-UHFFFAOYSA-N 1 2 359.426 2.519 20 5 FFBDLO Cc1nn(C)c(C(=O)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)c1[N+](=O)[O-] ZINC000089870065 507876754 /nfs/dbraw/zinc/87/67/54/507876754.db2.gz QAWOOJMZLMHDKU-UHFFFAOYSA-N 1 2 354.370 2.653 20 5 FFBDLO CCC(=O)N[C@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089891388 507879806 /nfs/dbraw/zinc/87/98/06/507879806.db2.gz PTLSDCDFFBRLBY-AWEZNQCLSA-N 1 2 358.398 2.740 20 5 FFBDLO CCC(=O)N[C@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089891388 507879808 /nfs/dbraw/zinc/87/98/08/507879808.db2.gz PTLSDCDFFBRLBY-AWEZNQCLSA-N 1 2 358.398 2.740 20 5 FFBDLO CCCc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n(C)n1 ZINC000090154660 507912631 /nfs/dbraw/zinc/91/26/31/507912631.db2.gz NYILOBWJOWDYAM-UHFFFAOYSA-N 1 2 354.370 2.719 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+](C)[C@H](C)c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000109781259 507986512 /nfs/dbraw/zinc/98/65/12/507986512.db2.gz ACAJFYVLUWWOGX-GFCCVEGCSA-N 1 2 359.382 2.941 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+](C)[C@H](C)c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000109781259 507986514 /nfs/dbraw/zinc/98/65/14/507986514.db2.gz ACAJFYVLUWWOGX-GFCCVEGCSA-N 1 2 359.382 2.941 20 5 FFBDLO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000092704512 508095748 /nfs/dbraw/zinc/09/57/48/508095748.db2.gz YAXSWSDBLOTXBH-HNNXBMFYSA-N 1 2 374.372 2.836 20 5 FFBDLO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000092704512 508095749 /nfs/dbraw/zinc/09/57/49/508095749.db2.gz YAXSWSDBLOTXBH-HNNXBMFYSA-N 1 2 374.372 2.836 20 5 FFBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000075506315 508112031 /nfs/dbraw/zinc/11/20/31/508112031.db2.gz GQCFJLNDGPKSKM-CYBMUJFWSA-N 1 2 368.821 2.577 20 5 FFBDLO CN(C)C(=O)COc1ccccc1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000093443752 508146110 /nfs/dbraw/zinc/14/61/10/508146110.db2.gz QCQJPQNHODDKJS-UHFFFAOYSA-N 1 2 369.421 2.620 20 5 FFBDLO CN(C)C(=O)COc1ccccc1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000093443752 508146113 /nfs/dbraw/zinc/14/61/13/508146113.db2.gz QCQJPQNHODDKJS-UHFFFAOYSA-N 1 2 369.421 2.620 20 5 FFBDLO CCc1cnc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC000081205964 508148215 /nfs/dbraw/zinc/14/82/15/508148215.db2.gz FXRLLXLQLZTWMF-UHFFFAOYSA-N 1 2 357.395 2.729 20 5 FFBDLO Cc1cc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc[nH+]1 ZINC000112298253 508171235 /nfs/dbraw/zinc/17/12/35/508171235.db2.gz NZPCSCRQBHEACH-UHFFFAOYSA-N 1 2 370.394 2.830 20 5 FFBDLO COCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000112353185 508178197 /nfs/dbraw/zinc/17/81/97/508178197.db2.gz LUQOPRGLJQQMKA-NSHDSACASA-N 1 2 355.822 2.934 20 5 FFBDLO COC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000112986704 508237969 /nfs/dbraw/zinc/23/79/69/508237969.db2.gz YOJXPZKHTMDWPR-NEPJUHHUSA-N 1 2 355.822 2.934 20 5 FFBDLO COC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000112986704 508237972 /nfs/dbraw/zinc/23/79/72/508237972.db2.gz YOJXPZKHTMDWPR-NEPJUHHUSA-N 1 2 355.822 2.934 20 5 FFBDLO COc1cc(C[NH2+]Cc2cn3cccc(C)c3n2)c([N+](=O)[O-])cc1OC ZINC000076894924 508261112 /nfs/dbraw/zinc/26/11/12/508261112.db2.gz FWYHBJPNRHYUCH-UHFFFAOYSA-N 1 2 356.382 2.858 20 5 FFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000085785659 508316535 /nfs/dbraw/zinc/31/65/35/508316535.db2.gz ZVCCMCKLNSDTJS-CQSZACIVSA-N 1 2 355.394 2.819 20 5 FFBDLO Cc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607477 508379029 /nfs/dbraw/zinc/37/90/29/508379029.db2.gz HHOGTRSTRGZMKH-OAHLLOKOSA-N 1 2 353.422 2.966 20 5 FFBDLO Cc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607477 508379032 /nfs/dbraw/zinc/37/90/32/508379032.db2.gz HHOGTRSTRGZMKH-OAHLLOKOSA-N 1 2 353.422 2.966 20 5 FFBDLO Cc1cccn2cc(CCNC(=O)Cc3cccc([N+](=O)[O-])c3C)[nH+]c12 ZINC000127137082 508405146 /nfs/dbraw/zinc/40/51/46/508405146.db2.gz TUBCQYRMVMVKAK-UHFFFAOYSA-N 1 2 352.394 2.761 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCc4ccccc4[C@@H]3CO)n2)c1 ZINC000133876535 508462197 /nfs/dbraw/zinc/46/21/97/508462197.db2.gz VZNOPMIQJSULFG-KRWDZBQOSA-N 1 2 366.377 2.737 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCc4ccccc4[C@@H]3CO)n2)c1 ZINC000133876535 508462200 /nfs/dbraw/zinc/46/22/00/508462200.db2.gz VZNOPMIQJSULFG-KRWDZBQOSA-N 1 2 366.377 2.737 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCS[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000118420547 508650581 /nfs/dbraw/zinc/65/05/81/508650581.db2.gz WCMCBGPFZVDSFK-RYUDHWBXSA-N 1 2 353.444 2.758 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+]2CCS[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000118420547 508650582 /nfs/dbraw/zinc/65/05/82/508650582.db2.gz WCMCBGPFZVDSFK-RYUDHWBXSA-N 1 2 353.444 2.758 20 5 FFBDLO O=C([C@H]1CCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-])N1CCSCC1 ZINC000118957005 508695297 /nfs/dbraw/zinc/69/52/97/508695297.db2.gz HCUXWBKTCMFOAT-OAHLLOKOSA-N 1 2 369.874 2.788 20 5 FFBDLO O=C([C@H]1CCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-])N1CCSCC1 ZINC000118957005 508695299 /nfs/dbraw/zinc/69/52/99/508695299.db2.gz HCUXWBKTCMFOAT-OAHLLOKOSA-N 1 2 369.874 2.788 20 5 FFBDLO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Cn1cc[nH+]c1 ZINC000123551980 508704179 /nfs/dbraw/zinc/70/41/79/508704179.db2.gz SGYCJIAFUQYZAX-SNVBAGLBSA-N 1 2 356.304 2.876 20 5 FFBDLO Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c(C)[nH+]1 ZINC000119136269 508733177 /nfs/dbraw/zinc/73/31/77/508733177.db2.gz YOYGSADMOXAJLQ-CYBMUJFWSA-N 1 2 374.422 2.911 20 5 FFBDLO COc1cc(OC)cc([C@@H](Nc2ccc([N+](=O)[O-])cn2)c2[nH+]ccn2C)c1 ZINC000139590899 508791325 /nfs/dbraw/zinc/79/13/25/508791325.db2.gz YCPRFMVWJYVKSM-QGZVFWFLSA-N 1 2 369.381 2.942 20 5 FFBDLO C[N@@H+]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)sc2C1 ZINC000154780539 508854479 /nfs/dbraw/zinc/85/44/79/508854479.db2.gz RIZACICUUFBOSG-UHFFFAOYSA-N 1 2 352.803 2.945 20 5 FFBDLO C[N@H+]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)sc2C1 ZINC000154780539 508854482 /nfs/dbraw/zinc/85/44/82/508854482.db2.gz RIZACICUUFBOSG-UHFFFAOYSA-N 1 2 352.803 2.945 20 5 FFBDLO CC(C)Cn1cc[nH+]c1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000131059691 508881676 /nfs/dbraw/zinc/88/16/76/508881676.db2.gz VHCQSVVYLNOKJH-UHFFFAOYSA-N 1 2 359.430 2.956 20 5 FFBDLO CCc1ccc(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000120091222 508926228 /nfs/dbraw/zinc/92/62/28/508926228.db2.gz BJFYXDYTJOHMJI-CQSZACIVSA-N 1 2 356.426 2.986 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@@H](Oc4ccncc4)C3)o2)cc1 ZINC000120198028 508948378 /nfs/dbraw/zinc/94/83/78/508948378.db2.gz MGTBADLTDJOTAJ-MRXNPFEDSA-N 1 2 367.365 2.693 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@@H](Oc4ccncc4)C3)o2)cc1 ZINC000120198028 508948383 /nfs/dbraw/zinc/94/83/83/508948383.db2.gz MGTBADLTDJOTAJ-MRXNPFEDSA-N 1 2 367.365 2.693 20 5 FFBDLO COc1ccc(C[N@H+](C)Cc2cn(C)nc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000155339934 508980637 /nfs/dbraw/zinc/98/06/37/508980637.db2.gz CPNNAXDIBXWOHJ-UHFFFAOYSA-N 1 2 358.320 2.988 20 5 FFBDLO COc1ccc(C[N@@H+](C)Cc2cn(C)nc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000155339934 508980640 /nfs/dbraw/zinc/98/06/40/508980640.db2.gz CPNNAXDIBXWOHJ-UHFFFAOYSA-N 1 2 358.320 2.988 20 5 FFBDLO C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000132588266 509049151 /nfs/dbraw/zinc/04/91/51/509049151.db2.gz JTQUSQHVEFPCRZ-HNNXBMFYSA-N 1 2 365.433 2.926 20 5 FFBDLO C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000132588266 509049156 /nfs/dbraw/zinc/04/91/56/509049156.db2.gz JTQUSQHVEFPCRZ-HNNXBMFYSA-N 1 2 365.433 2.926 20 5 FFBDLO O=[N+]([O-])c1ccccc1OCC[NH+]1CCN(c2ncccc2Cl)CC1 ZINC000155947439 509098060 /nfs/dbraw/zinc/09/80/60/509098060.db2.gz GAWVVENUFFUSLJ-UHFFFAOYSA-N 1 2 362.817 2.844 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@H](Oc4ccncc4)C3)n2)cc1 ZINC000156336972 509161698 /nfs/dbraw/zinc/16/16/98/509161698.db2.gz DZUPIINUKDMRQI-INIZCTEOSA-N 1 2 367.365 2.693 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@H](Oc4ccncc4)C3)n2)cc1 ZINC000156336972 509161701 /nfs/dbraw/zinc/16/17/01/509161701.db2.gz DZUPIINUKDMRQI-INIZCTEOSA-N 1 2 367.365 2.693 20 5 FFBDLO CC(C)NC(=O)c1ccc(N2CC[NH+](Cc3ccco3)CC2)c([N+](=O)[O-])c1 ZINC000198227250 509223687 /nfs/dbraw/zinc/22/36/87/509223687.db2.gz OKXZDCGNDXIGFD-UHFFFAOYSA-N 1 2 372.425 2.648 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCc1[nH+]ccn1CC(C)C ZINC000182417569 509228910 /nfs/dbraw/zinc/22/89/10/509228910.db2.gz VJCCITKGCHZDCP-UHFFFAOYSA-N 1 2 366.443 2.543 20 5 FFBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH+](C2CC2)CC1 ZINC000182437450 509237231 /nfs/dbraw/zinc/23/72/31/509237231.db2.gz NEYBKFHPPWOXOL-UHFFFAOYSA-N 1 2 355.847 2.647 20 5 FFBDLO CN1CC[NH+](Cc2cccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)c2)CC1 ZINC000172884120 509290290 /nfs/dbraw/zinc/29/02/90/509290290.db2.gz QVDRSLIIQAGMLJ-UHFFFAOYSA-N 1 2 368.437 2.523 20 5 FFBDLO CN(C)C(=O)COc1ccccc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000179316061 509371250 /nfs/dbraw/zinc/37/12/50/509371250.db2.gz ROYCKOKCTYWVSO-UHFFFAOYSA-N 1 2 357.410 2.694 20 5 FFBDLO CN(C)C(=O)COc1ccccc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000179316061 509371256 /nfs/dbraw/zinc/37/12/56/509371256.db2.gz ROYCKOKCTYWVSO-UHFFFAOYSA-N 1 2 357.410 2.694 20 5 FFBDLO O=C(CCNc1ccccc1[N+](=O)[O-])NCCCCNc1cccc[nH+]1 ZINC000264204966 509381352 /nfs/dbraw/zinc/38/13/52/509381352.db2.gz UOCOSMNPQGSKCM-UHFFFAOYSA-N 1 2 357.414 2.800 20 5 FFBDLO COCC1=CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000185894690 509411791 /nfs/dbraw/zinc/41/17/91/509411791.db2.gz AOIJHYBATNNVBF-LLVKDONJSA-N 1 2 353.806 2.854 20 5 FFBDLO COCC1=CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000185894690 509411795 /nfs/dbraw/zinc/41/17/95/509411795.db2.gz AOIJHYBATNNVBF-LLVKDONJSA-N 1 2 353.806 2.854 20 5 FFBDLO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179452243 509450610 /nfs/dbraw/zinc/45/06/10/509450610.db2.gz BUZFYSUSXVSRDT-UHFFFAOYSA-N 1 2 361.373 2.644 20 5 FFBDLO COc1ccc(F)cc1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000189408812 509560218 /nfs/dbraw/zinc/56/02/18/509560218.db2.gz UEDMDVZOWKFXQQ-UHFFFAOYSA-N 1 2 370.340 2.858 20 5 FFBDLO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000166518003 509610397 /nfs/dbraw/zinc/61/03/97/509610397.db2.gz AFDBZHWXDJWSIQ-UHFFFAOYSA-N 1 2 360.801 2.601 20 5 FFBDLO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000249316986 509657011 /nfs/dbraw/zinc/65/70/11/509657011.db2.gz OUUVYOYCHYBSEJ-BBWFWOEESA-N 1 2 374.485 2.895 20 5 FFBDLO COc1cc(C[N@H+](C)Cc2cnn(C)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179888149 509660656 /nfs/dbraw/zinc/66/06/56/509660656.db2.gz ICIKBUUDVLJDFN-UHFFFAOYSA-N 1 2 370.356 2.613 20 5 FFBDLO COc1cc(C[N@@H+](C)Cc2cnn(C)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179888149 509660660 /nfs/dbraw/zinc/66/06/60/509660660.db2.gz ICIKBUUDVLJDFN-UHFFFAOYSA-N 1 2 370.356 2.613 20 5 FFBDLO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)c2nnc3ccccn32)cccc1[N+](=O)[O-] ZINC000193323256 509866037 /nfs/dbraw/zinc/86/60/37/509866037.db2.gz CVTPEPPMDGQIJP-OLZOCXBDSA-N 1 2 368.397 2.624 20 5 FFBDLO O=C(Cc1ccccc1)N1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255696614 509933411 /nfs/dbraw/zinc/93/34/11/509933411.db2.gz XBDRTBCMIUKOKR-POHAHGRESA-N 1 2 365.433 2.995 20 5 FFBDLO O=C(C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000193578210 509973244 /nfs/dbraw/zinc/97/32/44/509973244.db2.gz RXODPCRMQWQUSM-LLVKDONJSA-N 1 2 363.805 2.789 20 5 FFBDLO O=C(C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000193578210 509973248 /nfs/dbraw/zinc/97/32/48/509973248.db2.gz RXODPCRMQWQUSM-LLVKDONJSA-N 1 2 363.805 2.789 20 5 FFBDLO Cc1ccccc1[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)CO1 ZINC000245573601 510017126 /nfs/dbraw/zinc/01/71/26/510017126.db2.gz DCPFRJJICGVOQC-YJBOKZPZSA-N 1 2 357.410 2.527 20 5 FFBDLO Cc1ccccc1[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)CO1 ZINC000245573601 510017133 /nfs/dbraw/zinc/01/71/33/510017133.db2.gz DCPFRJJICGVOQC-YJBOKZPZSA-N 1 2 357.410 2.527 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](Cc2cccc3c2NCC3)CC1 ZINC000262038125 510155727 /nfs/dbraw/zinc/15/57/27/510155727.db2.gz XXNGPNGMKAMLRJ-UHFFFAOYSA-N 1 2 372.450 2.582 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000246047917 510264966 /nfs/dbraw/zinc/26/49/66/510264966.db2.gz ATJSSQWMSHWNFN-LZLYRXPVSA-N 1 2 350.415 2.762 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000246047917 510264967 /nfs/dbraw/zinc/26/49/67/510264967.db2.gz ATJSSQWMSHWNFN-LZLYRXPVSA-N 1 2 350.415 2.762 20 5 FFBDLO O=C(NCCc1[nH]cc[nH+]1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000194594298 510436524 /nfs/dbraw/zinc/43/65/24/510436524.db2.gz YSBLMIRLLHCNGU-UHFFFAOYSA-N 1 2 366.377 2.869 20 5 FFBDLO Cc1cnc(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000266217624 510465983 /nfs/dbraw/zinc/46/59/83/510465983.db2.gz PONWUGHNPBZBLK-UHFFFAOYSA-N 1 2 369.425 2.813 20 5 FFBDLO Cn1c2ccccc2[nH+]c1Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000194700687 510486100 /nfs/dbraw/zinc/48/61/00/510486100.db2.gz TWKVLAROAFNAGY-UHFFFAOYSA-N 1 2 361.361 2.754 20 5 FFBDLO CC(C)c1ccc(C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000194737789 510502817 /nfs/dbraw/zinc/50/28/17/510502817.db2.gz JMPVIKCQXSRCBK-GASCZTMLSA-N 1 2 363.458 2.899 20 5 FFBDLO CC(C)c1ccc(C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000194737789 510502820 /nfs/dbraw/zinc/50/28/20/510502820.db2.gz JMPVIKCQXSRCBK-GASCZTMLSA-N 1 2 363.458 2.899 20 5 FFBDLO C[C@@H](N1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1)C(F)(F)F ZINC000178282050 510526173 /nfs/dbraw/zinc/52/61/73/510526173.db2.gz NOALCFUALHHELM-CYBMUJFWSA-N 1 2 361.364 2.932 20 5 FFBDLO CCc1ccc([C@@H](COC)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)o1 ZINC000184845387 510542406 /nfs/dbraw/zinc/54/24/06/510542406.db2.gz ZKFPLKBJVJNFHB-IAGOWNOFSA-N 1 2 373.409 2.833 20 5 FFBDLO CSc1cccc(C(=O)N2CC[NH+](Cc3ccncc3)CC2)c1[N+](=O)[O-] ZINC000188026075 510555639 /nfs/dbraw/zinc/55/56/39/510555639.db2.gz KWVMRVZHFBSWHB-UHFFFAOYSA-N 1 2 372.450 2.670 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000185152260 510715917 /nfs/dbraw/zinc/71/59/17/510715917.db2.gz KZFMRFLLBTWOQG-NSHDSACASA-N 1 2 361.402 2.873 20 5 FFBDLO Cn1cccc1[C@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182044095 510726766 /nfs/dbraw/zinc/72/67/66/510726766.db2.gz YLGMNUOQFZWHDL-QGZVFWFLSA-N 1 2 363.439 2.544 20 5 FFBDLO Cn1cccc1[C@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182044095 510726770 /nfs/dbraw/zinc/72/67/70/510726770.db2.gz YLGMNUOQFZWHDL-QGZVFWFLSA-N 1 2 363.439 2.544 20 5 FFBDLO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1nc(C(C)(C)C)no1 ZINC000185175018 510727943 /nfs/dbraw/zinc/72/79/43/510727943.db2.gz NDLWNPQCEAMNBZ-LLVKDONJSA-N 1 2 373.413 2.515 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000178838311 510798164 /nfs/dbraw/zinc/79/81/64/510798164.db2.gz IYTHMWHXOZCXAQ-CYBMUJFWSA-N 1 2 363.414 2.505 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000178838311 510798171 /nfs/dbraw/zinc/79/81/71/510798171.db2.gz IYTHMWHXOZCXAQ-CYBMUJFWSA-N 1 2 363.414 2.505 20 5 FFBDLO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000172610816 510821227 /nfs/dbraw/zinc/82/12/27/510821227.db2.gz XYMOTFPHGGQDFR-JTQLQIEISA-N 1 2 374.788 2.580 20 5 FFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000285363054 510877776 /nfs/dbraw/zinc/87/77/76/510877776.db2.gz QKHNEKQKIZMBCI-ACJLOTCBSA-N 1 2 374.397 2.587 20 5 FFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000285363054 510877784 /nfs/dbraw/zinc/87/77/84/510877784.db2.gz QKHNEKQKIZMBCI-ACJLOTCBSA-N 1 2 374.397 2.587 20 5 FFBDLO COc1cc(N2CCC[N@H+](Cc3cscn3)CC2)c(F)cc1[N+](=O)[O-] ZINC000271071203 511074202 /nfs/dbraw/zinc/07/42/02/511074202.db2.gz FHXYLUHZGBMSNZ-UHFFFAOYSA-N 1 2 366.418 2.911 20 5 FFBDLO COc1cc(N2CCC[N@@H+](Cc3cscn3)CC2)c(F)cc1[N+](=O)[O-] ZINC000271071203 511074206 /nfs/dbraw/zinc/07/42/06/511074206.db2.gz FHXYLUHZGBMSNZ-UHFFFAOYSA-N 1 2 366.418 2.911 20 5 FFBDLO CCOCCO[C@H]1CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000271248780 511136255 /nfs/dbraw/zinc/13/62/55/511136255.db2.gz DBTYMAAMCMMEAC-ZDUSSCGKSA-N 1 2 373.247 2.985 20 5 FFBDLO CCOCCO[C@H]1CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000271248780 511136259 /nfs/dbraw/zinc/13/62/59/511136259.db2.gz DBTYMAAMCMMEAC-ZDUSSCGKSA-N 1 2 373.247 2.985 20 5 FFBDLO Cc1ccc([C@@H]2COCC[N@@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000283255336 511296789 /nfs/dbraw/zinc/29/67/89/511296789.db2.gz KFHJWOORNJVXBD-INIZCTEOSA-N 1 2 359.382 2.898 20 5 FFBDLO Cc1ccc([C@@H]2COCC[N@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000283255336 511296793 /nfs/dbraw/zinc/29/67/93/511296793.db2.gz KFHJWOORNJVXBD-INIZCTEOSA-N 1 2 359.382 2.898 20 5 FFBDLO C[C@@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@]2(CCOC2)O1 ZINC000280264535 511398294 /nfs/dbraw/zinc/39/82/94/511398294.db2.gz CJMHDHKDXPZVAT-ACJLOTCBSA-N 1 2 359.382 2.630 20 5 FFBDLO C[C@@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@]2(CCOC2)O1 ZINC000280264535 511398297 /nfs/dbraw/zinc/39/82/97/511398297.db2.gz CJMHDHKDXPZVAT-ACJLOTCBSA-N 1 2 359.382 2.630 20 5 FFBDLO C[C@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@]2(CCOC2)O1 ZINC000280264553 511398780 /nfs/dbraw/zinc/39/87/80/511398780.db2.gz CJMHDHKDXPZVAT-UGSOOPFHSA-N 1 2 359.382 2.630 20 5 FFBDLO C[C@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@]2(CCOC2)O1 ZINC000280264553 511398785 /nfs/dbraw/zinc/39/87/85/511398785.db2.gz CJMHDHKDXPZVAT-UGSOOPFHSA-N 1 2 359.382 2.630 20 5 FFBDLO COc1ccc(C[NH2+][C@H](C(=O)NC2CC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000298893755 511444826 /nfs/dbraw/zinc/44/48/26/511444826.db2.gz ZIQZCVCPZGJKAD-SFHVURJKSA-N 1 2 355.394 2.713 20 5 FFBDLO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000280734028 511581177 /nfs/dbraw/zinc/58/11/77/511581177.db2.gz IWPZKTFUGSVUKH-CQSZACIVSA-N 1 2 359.382 2.850 20 5 FFBDLO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280847556 511627780 /nfs/dbraw/zinc/62/77/80/511627780.db2.gz AAONBYFJEAIYBR-XJKSGUPXSA-N 1 2 355.394 2.551 20 5 FFBDLO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280847556 511627784 /nfs/dbraw/zinc/62/77/84/511627784.db2.gz AAONBYFJEAIYBR-XJKSGUPXSA-N 1 2 355.394 2.551 20 5 FFBDLO C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000311878578 511780352 /nfs/dbraw/zinc/78/03/52/511780352.db2.gz VJBXAWBVVVONQR-CJNGLKHVSA-N 1 2 355.394 2.693 20 5 FFBDLO C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[N@H+]1Cc1ccccc1 ZINC000311878578 511780357 /nfs/dbraw/zinc/78/03/57/511780357.db2.gz VJBXAWBVVVONQR-CJNGLKHVSA-N 1 2 355.394 2.693 20 5 FFBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1ncc([N+](=O)[O-])c(C)n1 ZINC000297042849 511997733 /nfs/dbraw/zinc/99/77/33/511997733.db2.gz HXKYEQYRBGEFCB-UHFFFAOYSA-N 1 2 356.430 2.831 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000375789152 512507569 /nfs/dbraw/zinc/50/75/69/512507569.db2.gz ISFFZUYPVIPFRA-INIZCTEOSA-N 1 2 359.382 2.898 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCOC[C@H]1c1ccco1 ZINC000375789152 512507572 /nfs/dbraw/zinc/50/75/72/512507572.db2.gz ISFFZUYPVIPFRA-INIZCTEOSA-N 1 2 359.382 2.898 20 5 FFBDLO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(Oc4cnccn4)CC3)nc2c1 ZINC000369624282 512518980 /nfs/dbraw/zinc/51/89/80/512518980.db2.gz WYNBJMJCXRQUPV-UHFFFAOYSA-N 1 2 355.354 2.569 20 5 FFBDLO Cc1cn2c([nH+]1)CN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC000371734520 512548087 /nfs/dbraw/zinc/54/80/87/512548087.db2.gz GEHQNKNMWVLASE-UHFFFAOYSA-N 1 2 364.789 2.564 20 5 FFBDLO C[C@@H](c1nnnn1C1CCCCC1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369676394 512549165 /nfs/dbraw/zinc/54/91/65/512549165.db2.gz OXRFYGFAUUUXCM-ZDUSSCGKSA-N 1 2 374.449 2.681 20 5 FFBDLO Cc1noc(C2CN(c3cc(C)[nH+]c(-c4ccc([N+](=O)[O-])cc4)n3)C2)n1 ZINC000375948775 512585047 /nfs/dbraw/zinc/58/50/47/512585047.db2.gz UDQDDLFYSPSUGS-UHFFFAOYSA-N 1 2 352.354 2.655 20 5 FFBDLO CSc1ccc(C(=O)NCCc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000373945825 512585218 /nfs/dbraw/zinc/58/52/18/512585218.db2.gz UCHBPERXISFBIL-UHFFFAOYSA-N 1 2 360.439 2.822 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000370057172 512745761 /nfs/dbraw/zinc/74/57/61/512745761.db2.gz VFTVRWCABPGLFK-KGLIPLIRSA-N 1 2 371.224 2.725 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000370057172 512745764 /nfs/dbraw/zinc/74/57/64/512745764.db2.gz VFTVRWCABPGLFK-KGLIPLIRSA-N 1 2 371.224 2.725 20 5 FFBDLO COC(=O)Cc1ccc(NC[C@H]2CCCn3cc(C)[nH+]c32)c([N+](=O)[O-])c1 ZINC000450399640 513177289 /nfs/dbraw/zinc/17/72/89/513177289.db2.gz DKEAWDQJBKJCCE-CQSZACIVSA-N 1 2 358.398 2.805 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000439926650 513213554 /nfs/dbraw/zinc/21/35/54/513213554.db2.gz WRWVDLMBKVZMHW-HZPDHXFCSA-N 1 2 370.409 2.669 20 5 FFBDLO C[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000412702927 513235349 /nfs/dbraw/zinc/23/53/49/513235349.db2.gz WYYQEFMPEQSMJG-CQSZACIVSA-N 1 2 355.394 2.647 20 5 FFBDLO C[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000412702927 513235352 /nfs/dbraw/zinc/23/53/52/513235352.db2.gz WYYQEFMPEQSMJG-CQSZACIVSA-N 1 2 355.394 2.647 20 5 FFBDLO C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCO[C@@H]1C1CC1 ZINC000450685568 513303424 /nfs/dbraw/zinc/30/34/24/513303424.db2.gz TZYBLOSLOPHOOL-MJGOQNOKSA-N 1 2 370.409 2.716 20 5 FFBDLO Cn1c(C(=O)NCc2[nH+]ccn2CCCc2ccccc2)ccc1[N+](=O)[O-] ZINC000434378622 513304585 /nfs/dbraw/zinc/30/45/85/513304585.db2.gz UUDSWOFDCIHGKV-UHFFFAOYSA-N 1 2 367.409 2.693 20 5 FFBDLO CC[C@@H]1C[N@H+](CC)CCN1c1ncc([N+](=O)[O-])c(C)c1Br ZINC000450829763 513359551 /nfs/dbraw/zinc/35/95/51/513359551.db2.gz NCSWXQCQTQPFQH-LLVKDONJSA-N 1 2 357.252 2.981 20 5 FFBDLO CC[C@@H]1C[N@@H+](CC)CCN1c1ncc([N+](=O)[O-])c(C)c1Br ZINC000450829763 513359556 /nfs/dbraw/zinc/35/95/56/513359556.db2.gz NCSWXQCQTQPFQH-LLVKDONJSA-N 1 2 357.252 2.981 20 5 FFBDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2ncc([N+](=O)[O-])cc2F)cc1 ZINC000413040348 513400688 /nfs/dbraw/zinc/40/06/88/513400688.db2.gz UFHHLSKWQVPUSO-QGZVFWFLSA-N 1 2 360.389 2.923 20 5 FFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC(c4ccnn4CCO)CC3)c2c1 ZINC000413115686 513457755 /nfs/dbraw/zinc/45/77/55/513457755.db2.gz YYJRCZINKRETJP-UHFFFAOYSA-N 1 2 367.409 2.716 20 5 FFBDLO CC(C)(C(=O)N1CC[NH+](Cc2ccncc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000429916183 513498412 /nfs/dbraw/zinc/49/84/12/513498412.db2.gz JQLORKAOQCDJQA-UHFFFAOYSA-N 1 2 368.437 2.612 20 5 FFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c1 ZINC000425349523 513523054 /nfs/dbraw/zinc/52/30/54/513523054.db2.gz KSKREJIWPWIJLM-CYBMUJFWSA-N 1 2 353.329 2.625 20 5 FFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H](n3ccnn3)C2)c1 ZINC000425349523 513523060 /nfs/dbraw/zinc/52/30/60/513523060.db2.gz KSKREJIWPWIJLM-CYBMUJFWSA-N 1 2 353.329 2.625 20 5 FFBDLO Cc1nc(N2CCN(c3nccc4ccc([N+](=O)[O-])cc43)CC2)cc[nH+]1 ZINC000413225556 513532110 /nfs/dbraw/zinc/53/21/10/513532110.db2.gz GLYJELTYLLSNMA-UHFFFAOYSA-N 1 2 350.382 2.568 20 5 FFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+](CCO)Cc1cccnc1 ZINC000425425790 513560488 /nfs/dbraw/zinc/56/04/88/513560488.db2.gz REFMXBDPVPAOFU-UHFFFAOYSA-N 1 2 366.215 2.747 20 5 FFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+](CCO)Cc1cccnc1 ZINC000425425790 513560493 /nfs/dbraw/zinc/56/04/93/513560493.db2.gz REFMXBDPVPAOFU-UHFFFAOYSA-N 1 2 366.215 2.747 20 5 FFBDLO COC[C@H]1CCCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447802241 513573020 /nfs/dbraw/zinc/57/30/20/513573020.db2.gz ISYLTWKDBWCYDW-KRWDZBQOSA-N 1 2 363.458 2.680 20 5 FFBDLO COc1cc(N2CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000418945075 513699709 /nfs/dbraw/zinc/69/97/09/513699709.db2.gz LCOVQGZQFGXFGL-SFHVURJKSA-N 1 2 365.430 2.504 20 5 FFBDLO O=C1[C@H]([N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCN1CC(F)(F)F ZINC000451545950 513823160 /nfs/dbraw/zinc/82/31/60/513823160.db2.gz IDIMQXBCDIAGHE-DZGCQCFKSA-N 1 2 371.359 2.937 20 5 FFBDLO O=C1[C@H]([N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCN1CC(F)(F)F ZINC000451545950 513823164 /nfs/dbraw/zinc/82/31/64/513823164.db2.gz IDIMQXBCDIAGHE-DZGCQCFKSA-N 1 2 371.359 2.937 20 5 FFBDLO CN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550816 513828678 /nfs/dbraw/zinc/82/86/78/513828678.db2.gz SCFNINBVBPIJFV-CYBMUJFWSA-N 1 2 359.348 2.795 20 5 FFBDLO CN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550816 513828688 /nfs/dbraw/zinc/82/86/88/513828688.db2.gz SCFNINBVBPIJFV-CYBMUJFWSA-N 1 2 359.348 2.795 20 5 FFBDLO COc1ccc(C[NH2+][C@@](C)(C(N)=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000426797714 514043782 /nfs/dbraw/zinc/04/37/82/514043782.db2.gz CFPCRXXOTZRUPB-QGZVFWFLSA-N 1 2 363.801 2.747 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000426892980 514070170 /nfs/dbraw/zinc/07/01/70/514070170.db2.gz CIHLPDLFDXECON-UHFFFAOYSA-N 1 2 360.757 2.835 20 5 FFBDLO C[C@@H](O)C[C@@H]1CCCCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451921958 514073421 /nfs/dbraw/zinc/07/34/21/514073421.db2.gz DHDQELFWBXCDDK-ZBFHGGJFSA-N 1 2 372.425 2.936 20 5 FFBDLO C[C@@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)Cn1cc[nH+]c1 ZINC000444084112 514118642 /nfs/dbraw/zinc/11/86/42/514118642.db2.gz KNSQMFLLSUIICY-AWEZNQCLSA-N 1 2 360.417 2.944 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000452001185 514125938 /nfs/dbraw/zinc/12/59/38/514125938.db2.gz WFRGDKAVULDJHR-OAHLLOKOSA-N 1 2 364.446 2.618 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000452001185 514125940 /nfs/dbraw/zinc/12/59/40/514125940.db2.gz WFRGDKAVULDJHR-OAHLLOKOSA-N 1 2 364.446 2.618 20 5 FFBDLO O=[N+]([O-])c1cccc(Cl)c1NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000432341299 514166756 /nfs/dbraw/zinc/16/67/56/514166756.db2.gz VWXXZLBJMDDGIE-OAHLLOKOSA-N 1 2 357.863 2.868 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCCC[C@H]3[C@@H](O)C(F)(F)F)nc2c1 ZINC000444658823 514286738 /nfs/dbraw/zinc/28/67/38/514286738.db2.gz GKLLGSMPCKPWQS-GXTWGEPZSA-N 1 2 358.320 2.749 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCCC[C@H]3[C@@H](O)C(F)(F)F)nc2c1 ZINC000444658823 514286743 /nfs/dbraw/zinc/28/67/43/514286743.db2.gz GKLLGSMPCKPWQS-GXTWGEPZSA-N 1 2 358.320 2.749 20 5 FFBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2c1C[N@H+](C)C2 ZINC000427756969 514304607 /nfs/dbraw/zinc/30/46/07/514304607.db2.gz XPSVDDYHZOPNOH-UHFFFAOYSA-N 1 2 361.423 2.903 20 5 FFBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2c1C[N@@H+](C)C2 ZINC000427756969 514304609 /nfs/dbraw/zinc/30/46/09/514304609.db2.gz XPSVDDYHZOPNOH-UHFFFAOYSA-N 1 2 361.423 2.903 20 5 FFBDLO CCN1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000433104028 514382833 /nfs/dbraw/zinc/38/28/33/514382833.db2.gz LDFSKBLJWZLLGR-MRXNPFEDSA-N 1 2 371.441 2.501 20 5 FFBDLO Cc1nc([C@](C)([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C2CC2)no1 ZINC000433305052 514452699 /nfs/dbraw/zinc/45/26/99/514452699.db2.gz MBENQHHMSGCOFP-GOSISDBHSA-N 1 2 373.413 2.838 20 5 FFBDLO CO[C@]1(C)C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1(C)C ZINC000450008633 514462770 /nfs/dbraw/zinc/46/27/70/514462770.db2.gz DBCKVAQUFOHAIT-MAUKXSAKSA-N 1 2 358.398 2.714 20 5 FFBDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000475109862 514561535 /nfs/dbraw/zinc/56/15/35/514561535.db2.gz NABCRWMCCNIDMG-UHFFFAOYSA-N 1 2 374.347 2.890 20 5 FFBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000470696942 514578009 /nfs/dbraw/zinc/57/80/09/514578009.db2.gz JVRKEMYDNWZCEG-KRWDZBQOSA-N 1 2 359.357 2.573 20 5 FFBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000470696942 514578016 /nfs/dbraw/zinc/57/80/16/514578016.db2.gz JVRKEMYDNWZCEG-KRWDZBQOSA-N 1 2 359.357 2.573 20 5 FFBDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000470944997 514683298 /nfs/dbraw/zinc/68/32/98/514683298.db2.gz KINUYIXNDRELLF-LERXQTSPSA-N 1 2 357.332 2.973 20 5 FFBDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000470944997 514683304 /nfs/dbraw/zinc/68/33/04/514683304.db2.gz KINUYIXNDRELLF-LERXQTSPSA-N 1 2 357.332 2.973 20 5 FFBDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H](C)C1 ZINC000508301833 514735760 /nfs/dbraw/zinc/73/57/60/514735760.db2.gz PEFJBLKTKKUSRY-AWEZNQCLSA-N 1 2 372.425 2.668 20 5 FFBDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H](C)C1 ZINC000508301833 514735767 /nfs/dbraw/zinc/73/57/67/514735767.db2.gz PEFJBLKTKKUSRY-AWEZNQCLSA-N 1 2 372.425 2.668 20 5 FFBDLO O=[N+]([O-])c1ccccc1OCCN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000502742922 514757341 /nfs/dbraw/zinc/75/73/41/514757341.db2.gz CPVBRSQBZUSSRI-UHFFFAOYSA-N 1 2 359.401 2.931 20 5 FFBDLO O=[N+]([O-])c1ccccc1OCC[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC000502742922 514757352 /nfs/dbraw/zinc/75/73/52/514757352.db2.gz CPVBRSQBZUSSRI-UHFFFAOYSA-N 1 2 359.401 2.931 20 5 FFBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000475719877 514776184 /nfs/dbraw/zinc/77/61/84/514776184.db2.gz AFBLCCSOZKTCIL-NSHDSACASA-N 1 2 374.784 2.980 20 5 FFBDLO Nc1c(F)c(NC[C@H](c2ccccc2)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000471248111 514813133 /nfs/dbraw/zinc/81/31/33/514813133.db2.gz CAXOYUVYXMQSSI-MRXNPFEDSA-N 1 2 360.389 2.802 20 5 FFBDLO Cn1ccnc1C(=O)c1ccc(N2CCC[C@@H]2c2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000498901452 515106974 /nfs/dbraw/zinc/10/69/74/515106974.db2.gz MSBRGGWFHBUQSM-CQSZACIVSA-N 1 2 366.381 2.624 20 5 FFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000456392242 515152150 /nfs/dbraw/zinc/15/21/50/515152150.db2.gz PTMPKMPPNBUVOI-GFCCVEGCSA-N 1 2 368.397 2.703 20 5 FFBDLO C[C@H](c1ccc(Cl)cc1)N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 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/nfs/dbraw/zinc/30/10/02/517301002.db2.gz PNGIURSWSJBHKI-CRAIPNDOSA-N 1 2 371.437 2.944 20 5 FFBDLO C[C@@H]1CO[C@@H](CO)C[N@H+]1Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000537699412 517301012 /nfs/dbraw/zinc/30/10/12/517301012.db2.gz PNGIURSWSJBHKI-CRAIPNDOSA-N 1 2 371.437 2.944 20 5 FFBDLO Cc1cc[nH+]cc1N1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000553561714 517783767 /nfs/dbraw/zinc/78/37/67/517783767.db2.gz FHUALZXWFJWHSY-UHFFFAOYSA-N 1 2 356.411 2.630 20 5 FFBDLO O=C(NCc1cn2ccccc2[nH+]1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542871335 517791011 /nfs/dbraw/zinc/79/10/11/517791011.db2.gz WUVUUSQEFBKHDO-UHFFFAOYSA-N 1 2 362.292 2.774 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000534845489 518055513 /nfs/dbraw/zinc/05/55/13/518055513.db2.gz FBRDQWRJNKITAG-WOPDTQHZSA-N 1 2 355.822 2.668 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000534845489 518055518 /nfs/dbraw/zinc/05/55/18/518055518.db2.gz 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Cn1c[nH+]cc1CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000564506700 518478031 /nfs/dbraw/zinc/47/80/31/518478031.db2.gz RRDPGEWBWCACJF-UHFFFAOYSA-N 1 2 365.393 2.870 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CCC=C(c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC000584877331 518520385 /nfs/dbraw/zinc/52/03/85/518520385.db2.gz APMNOGXMEWHKEQ-UHFFFAOYSA-N 1 2 368.393 2.726 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CCC=C(c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC000584877331 518520391 /nfs/dbraw/zinc/52/03/91/518520391.db2.gz APMNOGXMEWHKEQ-UHFFFAOYSA-N 1 2 368.393 2.726 20 5 FFBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCN(c2c[nH+]ccc2C)CC1 ZINC000573311587 518605562 /nfs/dbraw/zinc/60/55/62/518605562.db2.gz LGGVBAKFPVIZKP-UHFFFAOYSA-N 1 2 370.409 2.720 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000573351456 518625429 /nfs/dbraw/zinc/62/54/29/518625429.db2.gz LLIMNRVAFOUAAZ-MOPGFXCFSA-N 1 2 366.421 2.611 20 5 FFBDLO CC(C)OC1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000573650065 518766355 /nfs/dbraw/zinc/76/63/55/518766355.db2.gz FXXYLLHZTDNPCS-UHFFFAOYSA-N 1 2 363.458 2.821 20 5 FFBDLO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)s1)c1ccccc1[N+](=O)[O-] ZINC000579624952 518771486 /nfs/dbraw/zinc/77/14/86/518771486.db2.gz IBLZJPWBSHHMCC-NSHDSACASA-N 1 2 369.468 2.757 20 5 FFBDLO CSc1cccc(-c2nc([C@@H]3C[N@@H+](C4CC4)CCO3)no2)c1[N+](=O)[O-] ZINC000579760805 518838306 /nfs/dbraw/zinc/83/83/06/518838306.db2.gz ZKMNBDQZXHHHDG-LBPRGKRZSA-N 1 2 362.411 2.902 20 5 FFBDLO CSc1cccc(-c2nc([C@@H]3C[N@H+](C4CC4)CCO3)no2)c1[N+](=O)[O-] ZINC000579760805 518838310 /nfs/dbraw/zinc/83/83/10/518838310.db2.gz ZKMNBDQZXHHHDG-LBPRGKRZSA-N 1 2 362.411 2.902 20 5 FFBDLO O=C(Cc1ccccc1[N+](=O)[O-])N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000588845813 518847120 /nfs/dbraw/zinc/84/71/20/518847120.db2.gz SMLRFUOHMOQEDY-UHFFFAOYSA-N 1 2 374.466 2.758 20 5 FFBDLO CC(C)[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H](O)C(F)(F)F ZINC000589162500 518933800 /nfs/dbraw/zinc/93/38/00/518933800.db2.gz KJECEWSPORARPI-STQMWFEESA-N 1 2 374.319 2.682 20 5 FFBDLO COC(=O)[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@H](OC)C1 ZINC000574046211 518962418 /nfs/dbraw/zinc/96/24/18/518962418.db2.gz FITLZIFDAPPNHU-ZAHQUIHGSA-N 1 2 362.426 2.944 20 5 FFBDLO Cc1cccc(CCNc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)[nH+]1 ZINC000583274335 519164741 /nfs/dbraw/zinc/16/47/41/519164741.db2.gz XAOHYOABVXJKEG-UHFFFAOYSA-N 1 2 360.389 2.929 20 5 FFBDLO CCC[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CC(=O)N(C)C1=O ZINC000574468721 519169465 /nfs/dbraw/zinc/16/94/65/519169465.db2.gz TXPZVJONQHROMF-ZDUSSCGKSA-N 1 2 373.331 2.583 20 5 FFBDLO CCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CC(=O)N(C)C1=O ZINC000574468721 519169470 /nfs/dbraw/zinc/16/94/70/519169470.db2.gz TXPZVJONQHROMF-ZDUSSCGKSA-N 1 2 373.331 2.583 20 5 FFBDLO Cc1cc(Cl)ccc1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000568895810 519272118 /nfs/dbraw/zinc/27/21/18/519272118.db2.gz GOYMZCDVFGOTBQ-UHFFFAOYSA-N 1 2 362.817 2.843 20 5 FFBDLO COc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)ccc1Cl ZINC000568956507 519302078 /nfs/dbraw/zinc/30/20/78/519302078.db2.gz BYKOUAXOONUCHK-UHFFFAOYSA-N 1 2 362.817 2.974 20 5 FFBDLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590775035 519361658 /nfs/dbraw/zinc/36/16/58/519361658.db2.gz OJPNPBJGIBERJE-CVEARBPZSA-N 1 2 354.410 2.760 20 5 FFBDLO CN(C)c1cccnc1CN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000569396878 519527874 /nfs/dbraw/zinc/52/78/74/519527874.db2.gz RQLXHJBVADUJLU-SFHVURJKSA-N 1 2 366.425 2.669 20 5 FFBDLO CCc1nn(C)c(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)c1[N+](=O)[O-] ZINC000578357891 519552607 /nfs/dbraw/zinc/55/26/07/519552607.db2.gz TUJYXYMYYSXVCR-TXEJJXNPSA-N 1 2 360.418 2.643 20 5 FFBDLO O=C1C[N@H+](Cc2cccc(N[C@@H]3CCc4c3cccc4[N+](=O)[O-])c2)CCN1 ZINC000584062870 519572332 /nfs/dbraw/zinc/57/23/32/519572332.db2.gz ADDJKHUJILRONQ-GOSISDBHSA-N 1 2 366.421 2.626 20 5 FFBDLO O=C1C[N@@H+](Cc2cccc(N[C@@H]3CCc4c3cccc4[N+](=O)[O-])c2)CCN1 ZINC000584062870 519572338 /nfs/dbraw/zinc/57/23/38/519572338.db2.gz ADDJKHUJILRONQ-GOSISDBHSA-N 1 2 366.421 2.626 20 5 FFBDLO CCn1nc(C)c(C[N@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1C ZINC000602927027 519977064 /nfs/dbraw/zinc/97/70/64/519977064.db2.gz VPRASDRCHGZBJD-CQSZACIVSA-N 1 2 359.430 2.887 20 5 FFBDLO CCn1nc(C)c(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1C ZINC000602927027 519977068 /nfs/dbraw/zinc/97/70/68/519977068.db2.gz VPRASDRCHGZBJD-CQSZACIVSA-N 1 2 359.430 2.887 20 5 FFBDLO C[C@@H]1C[C@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000599991138 519988454 /nfs/dbraw/zinc/98/84/54/519988454.db2.gz BBZJBBNYKWMJPU-SCZZXKLOSA-N 1 2 365.187 2.990 20 5 FFBDLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2C[C@H]3C[C@@]3(O)C2)c([N+](=O)[O-])c1 ZINC000603094510 520074691 /nfs/dbraw/zinc/07/46/91/520074691.db2.gz WNJJHUXTRPUMJD-MOXGXCLJSA-N 1 2 367.405 2.650 20 5 FFBDLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@H]3C[C@@]3(O)C2)c([N+](=O)[O-])c1 ZINC000603094510 520074699 /nfs/dbraw/zinc/07/46/99/520074699.db2.gz WNJJHUXTRPUMJD-MOXGXCLJSA-N 1 2 367.405 2.650 20 5 FFBDLO CCc1cc(N2C[C@@H](C)[C@H](C(=O)OC)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000591951715 520103288 /nfs/dbraw/zinc/10/32/88/520103288.db2.gz KGHBWHPTDPHTMK-MLGOLLRUSA-N 1 2 370.409 2.860 20 5 FFBDLO CCc1nc(CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cs1 ZINC000608820177 520136393 /nfs/dbraw/zinc/13/63/93/520136393.db2.gz YLNOPLHXVINVPJ-UHFFFAOYSA-N 1 2 371.422 2.772 20 5 FFBDLO Cc1nc(C)c(CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC000609382444 520298029 /nfs/dbraw/zinc/29/80/29/520298029.db2.gz DHEQQYWRUWHGIF-UHFFFAOYSA-N 1 2 371.422 2.826 20 5 FFBDLO Cc1nccc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000603834467 520370431 /nfs/dbraw/zinc/37/04/31/520370431.db2.gz VSKJVNQENALEKM-DZGCQCFKSA-N 1 2 369.425 2.900 20 5 FFBDLO Cc1nccc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000603834467 520370433 /nfs/dbraw/zinc/37/04/33/520370433.db2.gz VSKJVNQENALEKM-DZGCQCFKSA-N 1 2 369.425 2.900 20 5 FFBDLO C[C@@H]1COC2(CCC2)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000598046355 520395077 /nfs/dbraw/zinc/39/50/77/520395077.db2.gz CCGPGFDBOWHLKT-CYBMUJFWSA-N 1 2 356.382 2.564 20 5 FFBDLO Cc1noc(C[N@@H+](C)[C@H](CO)c2cccc(Br)c2)c1[N+](=O)[O-] ZINC000595410704 520453086 /nfs/dbraw/zinc/45/30/86/520453086.db2.gz XTYOJZFSQNGGLZ-GFCCVEGCSA-N 1 2 370.203 2.819 20 5 FFBDLO Cc1noc(C[N@H+](C)[C@H](CO)c2cccc(Br)c2)c1[N+](=O)[O-] ZINC000595410704 520453093 /nfs/dbraw/zinc/45/30/93/520453093.db2.gz XTYOJZFSQNGGLZ-GFCCVEGCSA-N 1 2 370.203 2.819 20 5 FFBDLO Cc1noc(C[NH+]2CCN(c3cncc4ccccc43)CC2)c1[N+](=O)[O-] ZINC000595456560 520484119 /nfs/dbraw/zinc/48/41/19/520484119.db2.gz RPALQXHKDOSBOU-UHFFFAOYSA-N 1 2 353.382 2.762 20 5 FFBDLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000600953160 520556117 /nfs/dbraw/zinc/55/61/17/520556117.db2.gz WHBUPROWVXLXKM-UHFFFAOYSA-N 1 2 359.357 2.818 20 5 FFBDLO C[C@@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000598458939 520627084 /nfs/dbraw/zinc/62/70/84/520627084.db2.gz ACHPUGRILYRBRR-SECBINFHSA-N 1 2 372.303 2.760 20 5 FFBDLO C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]1CCO ZINC000595695913 520656004 /nfs/dbraw/zinc/65/60/04/520656004.db2.gz JCLJUYMZKBSWJN-ABAIWWIYSA-N 1 2 355.822 2.670 20 5 FFBDLO C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]1CCO ZINC000595695913 520656012 /nfs/dbraw/zinc/65/60/12/520656012.db2.gz JCLJUYMZKBSWJN-ABAIWWIYSA-N 1 2 355.822 2.670 20 5 FFBDLO COC(=O)[C@@]1([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@@H](C)CC1 ZINC000595706663 520665343 /nfs/dbraw/zinc/66/53/43/520665343.db2.gz BVNUCQMTASQILQ-KTXOBNNYSA-N 1 2 363.414 2.635 20 5 FFBDLO Cc1cccn2cc(CCNC(=O)CCNc3ccccc3[N+](=O)[O-])[nH+]c12 ZINC000610434596 520681557 /nfs/dbraw/zinc/68/15/57/520681557.db2.gz ALEBYYCXZMWWCX-UHFFFAOYSA-N 1 2 367.409 2.712 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595836676 520758292 /nfs/dbraw/zinc/75/82/92/520758292.db2.gz YAHVSJJVIIESSR-WOPDTQHZSA-N 1 2 353.806 2.544 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595836676 520758298 /nfs/dbraw/zinc/75/82/98/520758298.db2.gz YAHVSJJVIIESSR-WOPDTQHZSA-N 1 2 353.806 2.544 20 5 FFBDLO Cc1ccc2c(c1Br)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000595874270 520783151 /nfs/dbraw/zinc/78/31/51/520783151.db2.gz UAHWEGGYFSTQKP-UHFFFAOYSA-N 1 2 351.204 2.878 20 5 FFBDLO Cc1ccc2c(c1Br)C[N@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000595874270 520783154 /nfs/dbraw/zinc/78/31/54/520783154.db2.gz UAHWEGGYFSTQKP-UHFFFAOYSA-N 1 2 351.204 2.878 20 5 FFBDLO NC(=O)c1cc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] ZINC000596054384 520881503 /nfs/dbraw/zinc/88/15/03/520881503.db2.gz SFTWBSCDPOETSI-UHFFFAOYSA-N 1 2 374.828 2.669 20 5 FFBDLO COc1cc(NCCCCN2CC[NH+](C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596075957 520897758 /nfs/dbraw/zinc/89/77/58/520897758.db2.gz KZVNFKYGDAURHL-UHFFFAOYSA-N 1 2 356.854 2.696 20 5 FFBDLO C[C@@H]1CN(c2ccc(Nc3c(Cl)cncc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000596080896 520901083 /nfs/dbraw/zinc/90/10/83/520901083.db2.gz PAPRSINKHMFORS-PHIMTYICSA-N 1 2 363.805 2.817 20 5 FFBDLO COC(=O)c1c(Cl)c(N[C@@H](C)[C@H](C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000596114681 520921540 /nfs/dbraw/zinc/92/15/40/520921540.db2.gz MTGOPNKZCBDZET-QWRGUYRKSA-N 1 2 371.821 2.556 20 5 FFBDLO O=[N+]([O-])c1c(NCc2ccc(N3CCOCC3)[nH+]c2)ccc2cnccc21 ZINC000599022494 520985230 /nfs/dbraw/zinc/98/52/30/520985230.db2.gz MCHOQYBZKSWTJK-UHFFFAOYSA-N 1 2 365.393 2.987 20 5 FFBDLO Cn1ncc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1C(F)F ZINC000611158681 521016037 /nfs/dbraw/zinc/01/60/37/521016037.db2.gz ZSPJYQYMRKLCAZ-UHFFFAOYSA-N 1 2 362.296 2.704 20 5 FFBDLO Cc1cc[nH+]c([C@@H]2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])C2)c1 ZINC000599100783 521033232 /nfs/dbraw/zinc/03/32/32/521033232.db2.gz NSLPFFTUUPAOOM-CYBMUJFWSA-N 1 2 361.423 2.696 20 5 FFBDLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cn1 ZINC000611209285 521037843 /nfs/dbraw/zinc/03/78/43/521037843.db2.gz UYMIYILYSQSWQL-CYBMUJFWSA-N 1 2 358.398 2.766 20 5 FFBDLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cn1 ZINC000611209285 521037852 /nfs/dbraw/zinc/03/78/52/521037852.db2.gz UYMIYILYSQSWQL-CYBMUJFWSA-N 1 2 358.398 2.766 20 5 FFBDLO Cc1cc(NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)c(F)cc1[N+](=O)[O-] ZINC000599183906 521077489 /nfs/dbraw/zinc/07/74/89/521077489.db2.gz DMXKJAILGUSGAC-OAHLLOKOSA-N 1 2 360.389 2.750 20 5 FFBDLO Cc1cc(NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)c(F)cc1[N+](=O)[O-] ZINC000599183906 521077498 /nfs/dbraw/zinc/07/74/98/521077498.db2.gz DMXKJAILGUSGAC-OAHLLOKOSA-N 1 2 360.389 2.750 20 5 FFBDLO O=C([C@H]1CC12CC[NH+](Cc1cc(O)ccc1[N+](=O)[O-])CC2)N1CCCCC1 ZINC000611532349 521206822 /nfs/dbraw/zinc/20/68/22/521206822.db2.gz WCJDSABCEQUWCJ-QGZVFWFLSA-N 1 2 373.453 2.915 20 5 FFBDLO O=[N+]([O-])c1ccc2ncnc(NCc3ccc(-n4cc[nH+]c4)c(F)c3)c2c1 ZINC000611707283 521290612 /nfs/dbraw/zinc/29/06/12/521290612.db2.gz DZXXTONZJDJNMG-UHFFFAOYSA-N 1 2 364.340 2.897 20 5 FFBDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)CC2 ZINC000599575351 521308500 /nfs/dbraw/zinc/30/85/00/521308500.db2.gz BIFKWPKUFIWWOG-RDTXWAMCSA-N 1 2 372.450 2.936 20 5 FFBDLO Cc1cn2c([nH+]1)CN(C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC000611851782 521365031 /nfs/dbraw/zinc/36/50/31/521365031.db2.gz ZKCPHCRNQMEBQK-UHFFFAOYSA-N 1 2 363.805 2.521 20 5 FFBDLO Cn1cc(C[N@H+]2Cc3ccccc3[C@@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC000602706595 521488016 /nfs/dbraw/zinc/48/80/16/521488016.db2.gz RFWCUZSHEYZIAH-INIZCTEOSA-N 1 2 372.425 2.769 20 5 FFBDLO Cn1cc(C[N@@H+]2Cc3ccccc3[C@@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC000602706595 521488023 /nfs/dbraw/zinc/48/80/23/521488023.db2.gz RFWCUZSHEYZIAH-INIZCTEOSA-N 1 2 372.425 2.769 20 5 FFBDLO Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602721282 521494675 /nfs/dbraw/zinc/49/46/75/521494675.db2.gz PIBNJODLTDLEKI-UHFFFAOYSA-N 1 2 355.276 2.778 20 5 FFBDLO Nc1c(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597094928 521501219 /nfs/dbraw/zinc/50/12/19/521501219.db2.gz KZCCCHYAQBXPBC-LLVKDONJSA-N 1 2 364.793 2.896 20 5 FFBDLO COC(=O)COc1ccc(C[NH2+]Cc2cc(C(C)C)no2)cc1[N+](=O)[O-] ZINC000616089339 521620318 /nfs/dbraw/zinc/62/03/18/521620318.db2.gz WBTWGPLILOJPKZ-UHFFFAOYSA-N 1 2 363.370 2.548 20 5 FFBDLO C[C@@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485404167 561318536 /nfs/dbraw/zinc/31/85/36/561318536.db2.gz YAALFRHXJSAJGC-ZDUSSCGKSA-N 1 2 360.389 2.929 20 5 FFBDLO Cc1c(Br)c(NCCNc2cccc[nH+]2)ncc1[N+](=O)[O-] ZINC000542520755 673588113 /nfs/dbraw/zinc/58/81/13/673588113.db2.gz JWLJVVHYHCMQOR-UHFFFAOYSA-N 1 2 352.192 2.980 20 5 FFBDLO C[C@H]1SCC[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)[C@@H]1C ZINC000154754528 728811271 /nfs/dbraw/zinc/81/12/71/728811271.db2.gz QOXIFKSGUAYVEA-CHWSQXEVSA-N 1 2 350.444 2.620 20 5 FFBDLO C[C@H]1SCC[N@@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)[C@@H]1C ZINC000154754528 728811274 /nfs/dbraw/zinc/81/12/74/728811274.db2.gz QOXIFKSGUAYVEA-CHWSQXEVSA-N 1 2 350.444 2.620 20 5 FFBDLO O=C(N[C@H]1CCC[N@H+](CCF)C1)c1cccc([N+](=O)[O-])c1Br ZINC000898497379 735370062 /nfs/dbraw/zinc/37/00/62/735370062.db2.gz BMPASVSGTWAPER-JTQLQIEISA-N 1 2 374.210 2.521 20 5 FFBDLO O=C(N[C@H]1CCC[N@@H+](CCF)C1)c1cccc([N+](=O)[O-])c1Br ZINC000898497379 735370065 /nfs/dbraw/zinc/37/00/65/735370065.db2.gz BMPASVSGTWAPER-JTQLQIEISA-N 1 2 374.210 2.521 20 5 FFBDLO C[N@@H+]1CCc2nc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)sc2C1 ZINC000134652490 728731854 /nfs/dbraw/zinc/73/18/54/728731854.db2.gz YKJHDNKIFGIBGI-UHFFFAOYSA-N 1 2 352.803 2.945 20 5 FFBDLO C[N@H+]1CCc2nc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)sc2C1 ZINC000134652490 728731855 /nfs/dbraw/zinc/73/18/55/728731855.db2.gz YKJHDNKIFGIBGI-UHFFFAOYSA-N 1 2 352.803 2.945 20 5 FFBDLO CC(C)[C@H](CC[N@H+](C)Cn1cc([N+](=O)[O-])cn1)NC(=O)OC(C)(C)C ZINC000176152139 729110901 /nfs/dbraw/zinc/11/09/01/729110901.db2.gz WIFKAKNKTISWGU-AWEZNQCLSA-N 1 2 355.439 2.620 20 5 FFBDLO CC(C)[C@H](CC[N@@H+](C)Cn1cc([N+](=O)[O-])cn1)NC(=O)OC(C)(C)C ZINC000176152139 729110904 /nfs/dbraw/zinc/11/09/04/729110904.db2.gz WIFKAKNKTISWGU-AWEZNQCLSA-N 1 2 355.439 2.620 20 5 FFBDLO COCCC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000859399627 730453283 /nfs/dbraw/zinc/45/32/83/730453283.db2.gz WPJXYNIUXJMTHP-UHFFFAOYSA-N 1 2 355.822 2.935 20 5 FFBDLO CC[C@@]1(O)CCC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000879309757 732681956 /nfs/dbraw/zinc/68/19/56/732681956.db2.gz BBZVLWCJUNKHBM-MEDUHNTESA-N 1 2 355.822 2.812 20 5 FFBDLO CC[C@@]1(O)CCC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000879309757 732681961 /nfs/dbraw/zinc/68/19/61/732681961.db2.gz BBZVLWCJUNKHBM-MEDUHNTESA-N 1 2 355.822 2.812 20 5 FFBDLO C[C@@]1(C(F)(F)F)CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000880000711 732816318 /nfs/dbraw/zinc/81/63/18/732816318.db2.gz JRGCFMPTRAJLNJ-OAHLLOKOSA-N 1 2 357.332 2.758 20 5 FFBDLO C[C@@]1(C(F)(F)F)CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000880000711 732816323 /nfs/dbraw/zinc/81/63/23/732816323.db2.gz JRGCFMPTRAJLNJ-OAHLLOKOSA-N 1 2 357.332 2.758 20 5 FFBDLO Cc1c(CC(=O)N2CCC([N@H+](C)CC(F)F)CC2)cccc1[N+](=O)[O-] ZINC000747904967 735602307 /nfs/dbraw/zinc/60/23/07/735602307.db2.gz OTPMTZGSCZNEHQ-UHFFFAOYSA-N 1 2 355.385 2.634 20 5 FFBDLO Cc1c(CC(=O)N2CCC([N@@H+](C)CC(F)F)CC2)cccc1[N+](=O)[O-] ZINC000747904967 735602309 /nfs/dbraw/zinc/60/23/09/735602309.db2.gz OTPMTZGSCZNEHQ-UHFFFAOYSA-N 1 2 355.385 2.634 20 5 FFBDLO CC(C)(C)[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1O ZINC000754232754 736138538 /nfs/dbraw/zinc/13/85/38/736138538.db2.gz HUPDMLIDWGRMGX-IUODEOHRSA-N 1 2 369.849 2.916 20 5 FFBDLO CC(C)(C)[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1O ZINC000754232754 736138542 /nfs/dbraw/zinc/13/85/42/736138542.db2.gz HUPDMLIDWGRMGX-IUODEOHRSA-N 1 2 369.849 2.916 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cncs3)CC2)c2ccncc21 ZINC000757884556 736432957 /nfs/dbraw/zinc/43/29/57/736432957.db2.gz BKAGOEIATOSOOT-UHFFFAOYSA-N 1 2 355.423 2.922 20 5 FFBDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000758172610 736458595 /nfs/dbraw/zinc/45/85/95/736458595.db2.gz OIDLROMBXXYIIT-UHFFFAOYSA-N 1 2 372.472 2.516 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000760877526 736676785 /nfs/dbraw/zinc/67/67/85/736676785.db2.gz WBMPVZXHUPROFA-WOPDTQHZSA-N 1 2 355.822 2.668 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000760877526 736676788 /nfs/dbraw/zinc/67/67/88/736676788.db2.gz WBMPVZXHUPROFA-WOPDTQHZSA-N 1 2 355.822 2.668 20 5 FFBDLO CCOCCO[C@H]1CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000770387597 737621523 /nfs/dbraw/zinc/62/15/23/737621523.db2.gz QGQXZTWLOHZXKP-LBPRGKRZSA-N 1 2 373.247 2.985 20 5 FFBDLO CCOCCO[C@H]1CC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000770387597 737621524 /nfs/dbraw/zinc/62/15/24/737621524.db2.gz QGQXZTWLOHZXKP-LBPRGKRZSA-N 1 2 373.247 2.985 20 5 FFBDLO C[N@@H+](CC(=O)Nc1cccc(Cl)c1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776576004 738210540 /nfs/dbraw/zinc/21/05/40/738210540.db2.gz ZCEPJWKYRJCBIT-MRXNPFEDSA-N 1 2 363.801 2.852 20 5 FFBDLO C[N@H+](CC(=O)Nc1cccc(Cl)c1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776576004 738210543 /nfs/dbraw/zinc/21/05/43/738210543.db2.gz ZCEPJWKYRJCBIT-MRXNPFEDSA-N 1 2 363.801 2.852 20 5 FFBDLO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000796156004 740108503 /nfs/dbraw/zinc/10/85/03/740108503.db2.gz FZPNUIKOGREOKL-OAHLLOKOSA-N 1 2 351.403 2.704 20 5 FFBDLO CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000796156004 740108506 /nfs/dbraw/zinc/10/85/06/740108506.db2.gz FZPNUIKOGREOKL-OAHLLOKOSA-N 1 2 351.403 2.704 20 5 FFBDLO CC1=C(Br)C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000797529292 740254280 /nfs/dbraw/zinc/25/42/80/740254280.db2.gz OYBHJRKSQIGPTA-CYBMUJFWSA-N 1 2 371.231 2.709 20 5 FFBDLO CC1=C(Br)C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000797529292 740254284 /nfs/dbraw/zinc/25/42/84/740254284.db2.gz OYBHJRKSQIGPTA-CYBMUJFWSA-N 1 2 371.231 2.709 20 5 FFBDLO O=C(NC[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1)C(F)(F)F ZINC000810067119 741380946 /nfs/dbraw/zinc/38/09/46/741380946.db2.gz TTZWHRZMVXQUME-SNVBAGLBSA-N 1 2 363.311 2.624 20 5 FFBDLO O=C(NC[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1)C(F)(F)F ZINC000810067119 741380950 /nfs/dbraw/zinc/38/09/50/741380950.db2.gz TTZWHRZMVXQUME-SNVBAGLBSA-N 1 2 363.311 2.624 20 5 FFBDLO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@H]1CCCCS1 ZINC000813172643 741684706 /nfs/dbraw/zinc/68/47/06/741684706.db2.gz PKCQSQJFMAUEBY-JKSUJKDBSA-N 1 2 350.440 2.998 20 5 FFBDLO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@H]1CCCCS1 ZINC000813172643 741684709 /nfs/dbraw/zinc/68/47/09/741684709.db2.gz PKCQSQJFMAUEBY-JKSUJKDBSA-N 1 2 350.440 2.998 20 5 FFBDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000823084214 742829594 /nfs/dbraw/zinc/82/95/94/742829594.db2.gz PRAASKFSRJCEGY-AWEZNQCLSA-N 1 2 351.422 2.866 20 5 FFBDLO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000830509116 745372806 /nfs/dbraw/zinc/37/28/06/745372806.db2.gz BXJWUWNZNHGUSU-LBPRGKRZSA-N 1 2 361.320 2.886 20 5 FFBDLO CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000830509116 745372807 /nfs/dbraw/zinc/37/28/07/745372807.db2.gz BXJWUWNZNHGUSU-LBPRGKRZSA-N 1 2 361.320 2.886 20 5 FFBDLO CO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C ZINC000831527986 745542679 /nfs/dbraw/zinc/54/26/79/745542679.db2.gz JVKGIQMLCZHQLY-FIXISWKDSA-N 1 2 355.822 2.932 20 5 FFBDLO CO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C ZINC000831527986 745542681 /nfs/dbraw/zinc/54/26/81/745542681.db2.gz JVKGIQMLCZHQLY-FIXISWKDSA-N 1 2 355.822 2.932 20 5 FFBDLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1cccc([N+](=O)[O-])c1Br ZINC000840234517 747046154 /nfs/dbraw/zinc/04/61/54/747046154.db2.gz BRULFUBZCZIBRC-LBPRGKRZSA-N 1 2 357.204 2.885 20 5 FFBDLO C[N@H+]1CCCC[C@H]1C(=O)OCc1cccc([N+](=O)[O-])c1Br ZINC000840234517 747046156 /nfs/dbraw/zinc/04/61/56/747046156.db2.gz BRULFUBZCZIBRC-LBPRGKRZSA-N 1 2 357.204 2.885 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000847179019 748636893 /nfs/dbraw/zinc/63/68/93/748636893.db2.gz XMRIZGZGVZPKAE-RWMBFGLXSA-N 1 2 369.849 2.784 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000847179019 748636899 /nfs/dbraw/zinc/63/68/99/748636899.db2.gz XMRIZGZGVZPKAE-RWMBFGLXSA-N 1 2 369.849 2.784 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000852667501 749917493 /nfs/dbraw/zinc/91/74/93/749917493.db2.gz GENAJEZOUHNOFZ-WOPDTQHZSA-N 1 2 353.806 2.544 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000852667501 749917496 /nfs/dbraw/zinc/91/74/96/749917496.db2.gz GENAJEZOUHNOFZ-WOPDTQHZSA-N 1 2 353.806 2.544 20 5 FFBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000051114295 964013496 /nfs/dbraw/zinc/01/34/96/964013496.db2.gz IORVJBBNZXNZED-GOSISDBHSA-N 1 2 363.364 2.729 20 5 FFBDLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178863033 967421392 /nfs/dbraw/zinc/42/13/92/967421392.db2.gz BGRMQBJTJMHZIT-OALUTQOASA-N 1 2 372.421 2.734 20 5 FFBDLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178863033 967421396 /nfs/dbraw/zinc/42/13/96/967421396.db2.gz BGRMQBJTJMHZIT-OALUTQOASA-N 1 2 372.421 2.734 20 5 FFBDLO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874893225 1013925042 /nfs/dbraw/zinc/92/50/42/1013925042.db2.gz PKDGAVDKEACOQT-SFHVURJKSA-N 1 2 357.385 2.840 20 5 FFBDLO O=C(OCc1cccc([N+](=O)[O-])c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000125878065 1014224786 /nfs/dbraw/zinc/22/47/86/1014224786.db2.gz WEJSCBSWYZACJK-GOSISDBHSA-N 1 2 356.378 2.539 20 5 FFBDLO O=C(OCc1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000125878065 1014224794 /nfs/dbraw/zinc/22/47/94/1014224794.db2.gz WEJSCBSWYZACJK-GOSISDBHSA-N 1 2 356.378 2.539 20 5 FFBDLO Cc1c(C(=O)N2CC[N@@H+](C)Cc3ccccc32)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000728833293 974949782 /nfs/dbraw/zinc/94/97/82/974949782.db2.gz CFLCXFCAGFBGDW-UHFFFAOYSA-N 1 2 370.365 2.904 20 5 FFBDLO Cc1c(C(=O)N2CC[N@H+](C)Cc3ccccc32)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000728833293 974949789 /nfs/dbraw/zinc/94/97/89/974949789.db2.gz CFLCXFCAGFBGDW-UHFFFAOYSA-N 1 2 370.365 2.904 20 5 FFBDLO CC1(C)[C@@H]2OCC[C@@H]2[C@@H]1OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000126942048 1014893857 /nfs/dbraw/zinc/89/38/57/1014893857.db2.gz ZWDCPSOXOGRFRU-MAZHCROVSA-N 1 2 357.366 2.751 20 5 FFBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)c1 ZINC000157861516 984695460 /nfs/dbraw/zinc/69/54/60/984695460.db2.gz XMBZMYPXNYWJOA-UYAOXDASSA-N 1 2 372.421 2.798 20 5 FFBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)c1 ZINC000157861516 984695462 /nfs/dbraw/zinc/69/54/62/984695462.db2.gz XMBZMYPXNYWJOA-UYAOXDASSA-N 1 2 372.421 2.798 20 5 FFBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000172916551 985718566 /nfs/dbraw/zinc/71/85/66/985718566.db2.gz PRHPOVDGRSQSNU-HNNXBMFYSA-N 1 2 365.389 2.713 20 5 FFBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000172916551 985718572 /nfs/dbraw/zinc/71/85/72/985718572.db2.gz PRHPOVDGRSQSNU-HNNXBMFYSA-N 1 2 365.389 2.713 20 5 FFBDLO Cc1cc(Cc2noc(-c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)n2)no1 ZINC000762102346 988116152 /nfs/dbraw/zinc/11/61/52/988116152.db2.gz RZTVNMJXEXQGNI-UHFFFAOYSA-N 1 2 352.310 2.718 20 5 FFBDLO COc1ccccc1[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000879631251 1015618360 /nfs/dbraw/zinc/61/83/60/1015618360.db2.gz RBGQJXYRWRXYMB-HKUYNNGSSA-N 1 2 358.394 2.710 20 5 FFBDLO COc1ccccc1[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000879631251 1015618365 /nfs/dbraw/zinc/61/83/65/1015618365.db2.gz RBGQJXYRWRXYMB-HKUYNNGSSA-N 1 2 358.394 2.710 20 5 FFBDLO CC(C)(O)c1cnc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC000811615972 995202215 /nfs/dbraw/zinc/20/22/15/995202215.db2.gz SMVAXNXHXGLBJJ-UHFFFAOYSA-N 1 2 373.394 2.717 20 5 FFBDLO COc1nc(C)ccc1C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171381 995633691 /nfs/dbraw/zinc/63/36/91/995633691.db2.gz JQFARAAPDFWMEQ-INIZCTEOSA-N 1 2 371.393 2.738 20 5 FFBDLO COc1nc(C)ccc1C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171381 995633693 /nfs/dbraw/zinc/63/36/93/995633693.db2.gz JQFARAAPDFWMEQ-INIZCTEOSA-N 1 2 371.393 2.738 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000845146034 998379205 /nfs/dbraw/zinc/37/92/05/998379205.db2.gz BNXRSDFRJHLWIT-KRWDZBQOSA-N 1 2 372.377 2.728 20 5 FFBDLO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)OCCCn2cc[nH+]c2)c1 ZINC000845284401 998466017 /nfs/dbraw/zinc/46/60/17/998466017.db2.gz GKJRDYVKVNAHJP-UHFFFAOYSA-N 1 2 369.381 2.592 20 5 FFBDLO Cc1nn(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000740856208 999686754 /nfs/dbraw/zinc/68/67/54/999686754.db2.gz BICUNKHHMAUVHL-FZMZJTMJSA-N 1 2 367.450 2.601 20 5 FFBDLO Cc1nn(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000740856208 999686756 /nfs/dbraw/zinc/68/67/56/999686756.db2.gz BICUNKHHMAUVHL-FZMZJTMJSA-N 1 2 367.450 2.601 20 5 FFBDLO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000745083967 999894379 /nfs/dbraw/zinc/89/43/79/999894379.db2.gz PIWQYOOFWPZREA-BBRMVZONSA-N 1 2 363.414 2.648 20 5 FFBDLO CC[N@H+]1CCCC[C@H]1C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000745083967 999894380 /nfs/dbraw/zinc/89/43/80/999894380.db2.gz PIWQYOOFWPZREA-BBRMVZONSA-N 1 2 363.414 2.648 20 5 FFBDLO CC(C)(C)OC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168977759 1000012201 /nfs/dbraw/zinc/01/22/01/1000012201.db2.gz LQRPIQGNKUWJBH-UXLLHSPISA-N 1 2 364.442 2.680 20 5 FFBDLO Cc1c(C(=O)OCc2cc[nH+]c(N(C)C)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000767521932 1000119924 /nfs/dbraw/zinc/11/99/24/1000119924.db2.gz FJBSLWMZPBSCAM-UHFFFAOYSA-N 1 2 374.353 2.938 20 5 FFBDLO CN(CCC1CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1)C(=O)OC(C)(C)C ZINC000769653865 1000569975 /nfs/dbraw/zinc/56/99/75/1000569975.db2.gz OYUSDAHBCFSADU-UHFFFAOYSA-N 1 2 367.450 2.718 20 5 FFBDLO Cc1ccc(NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(N(C)C)[nH+]1 ZINC000770613736 1000862076 /nfs/dbraw/zinc/86/20/76/1000862076.db2.gz YZMQPEOTBHUOSJ-UHFFFAOYSA-N 1 2 369.385 2.562 20 5 FFBDLO Cc1cc(C)c(CNC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)c[nH+]1 ZINC001129714243 1003747597 /nfs/dbraw/zinc/74/75/97/1003747597.db2.gz DPBSSZMMSHIOCQ-UHFFFAOYSA-N 1 2 365.393 2.781 20 5 FFBDLO CC(C)(C)C(=O)N1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000776036217 1005056326 /nfs/dbraw/zinc/05/63/26/1005056326.db2.gz DEDXBNIDCQCURP-MRXNPFEDSA-N 1 2 363.458 2.597 20 5 FFBDLO CC(C)(C)C(=O)N1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000776036217 1005056328 /nfs/dbraw/zinc/05/63/28/1005056328.db2.gz DEDXBNIDCQCURP-MRXNPFEDSA-N 1 2 363.458 2.597 20 5 FFBDLO CNc1cc(CNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])cc[nH+]1 ZINC001187687216 1006198486 /nfs/dbraw/zinc/19/84/86/1006198486.db2.gz VYWKSESGDWZCFJ-UHFFFAOYSA-N 1 2 366.381 2.608 20 5 FFBDLO CC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000882444567 1006401612 /nfs/dbraw/zinc/40/16/12/1006401612.db2.gz QRNDHEATWBWDAS-CABCVRRESA-N 1 2 358.398 2.716 20 5 FFBDLO O=[N+]([O-])c1cn(C[NH+]2CCC(OC3CCC3)CC2)nc1-c1ccccn1 ZINC000853515852 1006423095 /nfs/dbraw/zinc/42/30/95/1006423095.db2.gz OQBDBZYCFFPAHT-UHFFFAOYSA-N 1 2 357.414 2.844 20 5 FFBDLO O=[N+]([O-])c1cn(C[NH+]2CCC(c3ccon3)CC2)nc1-c1ccncc1 ZINC000853592198 1006463741 /nfs/dbraw/zinc/46/37/41/1006463741.db2.gz HXJJLKKGQWXTOJ-UHFFFAOYSA-N 1 2 354.370 2.678 20 5 FFBDLO O=[N+]([O-])c1ccccc1Nc1ccc(N2CC[NH+](C3COC3)CC2)cc1 ZINC001206180525 1032177976 /nfs/dbraw/zinc/17/79/76/1032177976.db2.gz SUUUJPRNUQTQNU-UHFFFAOYSA-N 1 2 354.410 2.859 20 5 FFBDLO O=C(OCc1cccc(C[NH+]2CCOCC2)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000817182716 1007462961 /nfs/dbraw/zinc/46/29/61/1007462961.db2.gz BWEMZZNUSFMBCE-UHFFFAOYSA-N 1 2 374.368 2.923 20 5 FFBDLO C[N@H+](CCN1C(=O)c2ccccc2C1=O)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000011011705 1007838672 /nfs/dbraw/zinc/83/86/72/1007838672.db2.gz GKKYKBCQKBKQGI-UHFFFAOYSA-N 1 2 373.796 2.976 20 5 FFBDLO C[N@@H+](CCN1C(=O)c2ccccc2C1=O)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000011011705 1007838690 /nfs/dbraw/zinc/83/86/90/1007838690.db2.gz GKKYKBCQKBKQGI-UHFFFAOYSA-N 1 2 373.796 2.976 20 5 FFBDLO Nc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)cc1[N+](=O)[O-] ZINC000819916182 1008249665 /nfs/dbraw/zinc/24/96/65/1008249665.db2.gz ITGNGVLVVDRRPX-QGZVFWFLSA-N 1 2 372.450 2.906 20 5 FFBDLO CCOC(=O)C1=CC[C@@H]([NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000858509023 1008371719 /nfs/dbraw/zinc/37/17/19/1008371719.db2.gz PFWBEKRKUDTTPC-NVXWUHKLSA-N 1 2 370.409 2.659 20 5 FFBDLO CC1(C)C[N@H+](CCNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCO1 ZINC000859046578 1008469705 /nfs/dbraw/zinc/46/97/05/1008469705.db2.gz LFDDGKLIFXCGFX-UHFFFAOYSA-N 1 2 357.410 2.589 20 5 FFBDLO CC1(C)C[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCO1 ZINC000859046578 1008469708 /nfs/dbraw/zinc/46/97/08/1008469708.db2.gz LFDDGKLIFXCGFX-UHFFFAOYSA-N 1 2 357.410 2.589 20 5 FFBDLO CC(C)(C)OC(=O)N1CC[C@H]([N@H+](Cc2cccnc2[N+](=O)[O-])C2CC2)C1 ZINC000886081389 1008537310 /nfs/dbraw/zinc/53/73/10/1008537310.db2.gz OIJFWCJASSJXRI-HNNXBMFYSA-N 1 2 362.430 2.964 20 5 FFBDLO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+](Cc2cccnc2[N+](=O)[O-])C2CC2)C1 ZINC000886081389 1008537317 /nfs/dbraw/zinc/53/73/17/1008537317.db2.gz OIJFWCJASSJXRI-HNNXBMFYSA-N 1 2 362.430 2.964 20 5 FFBDLO C[C@@H](C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000860100817 1008839438 /nfs/dbraw/zinc/83/94/38/1008839438.db2.gz OSCIIGFURZPSQV-NSHDSACASA-N 1 2 368.390 2.848 20 5 FFBDLO C[C@@H](C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000860100817 1008839452 /nfs/dbraw/zinc/83/94/52/1008839452.db2.gz OSCIIGFURZPSQV-NSHDSACASA-N 1 2 368.390 2.848 20 5 FFBDLO CCNC(=O)N1CC[NH+](Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000126477061 1009231704 /nfs/dbraw/zinc/23/17/04/1009231704.db2.gz SZAFLMGZUCXUEX-UHFFFAOYSA-N 1 2 365.433 2.793 20 5 FFBDLO CN(C)c1cc(F)c(C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)cc1[N+](=O)[O-] ZINC000826697269 1010426251 /nfs/dbraw/zinc/42/62/51/1010426251.db2.gz ZFRXPWWHKVPQSU-GOSISDBHSA-N 1 2 372.400 2.716 20 5 FFBDLO CN(C)c1cc(F)c(C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)cc1[N+](=O)[O-] ZINC000826697269 1010426255 /nfs/dbraw/zinc/42/62/55/1010426255.db2.gz ZFRXPWWHKVPQSU-GOSISDBHSA-N 1 2 372.400 2.716 20 5 FFBDLO COC(=O)[C@H](CCSC)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899819 1012075945 /nfs/dbraw/zinc/07/59/45/1012075945.db2.gz CUTXCIWNLZSCTM-ZBFHGGJFSA-N 1 2 352.456 2.727 20 5 FFBDLO CCOC(=O)[C@@H](CC)[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173009084 1012176868 /nfs/dbraw/zinc/17/68/68/1012176868.db2.gz LUURJXIZIFKWQB-OAHLLOKOSA-N 1 2 371.384 2.773 20 5 FFBDLO COc1cccc([C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3C)CC[NH2+]2)c1 ZINC000870149000 1012202811 /nfs/dbraw/zinc/20/28/11/1012202811.db2.gz AHQAQROORHQNMR-GOSISDBHSA-N 1 2 355.394 2.699 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000777736381 1019214010 /nfs/dbraw/zinc/21/40/10/1019214010.db2.gz PNXGGVLGPVVWME-LJQANCHMSA-N 1 2 373.384 2.574 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000777736381 1019214020 /nfs/dbraw/zinc/21/40/20/1019214020.db2.gz PNXGGVLGPVVWME-LJQANCHMSA-N 1 2 373.384 2.574 20 5 FFBDLO CC(C)O[C@@]1(C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000903358064 1020802779 /nfs/dbraw/zinc/80/27/79/1020802779.db2.gz RESOIWIHRDYSKX-PKOBYXMFSA-N 1 2 374.441 2.591 20 5 FFBDLO O=c1c2cc(O[C@@H]3CC[NH2+]CC3(F)F)c(O)cc2oc2cccc(O)c12 ZINC001218006570 1032947332 /nfs/dbraw/zinc/94/73/32/1032947332.db2.gz LUOJLLLMXLMFEE-OAHLLOKOSA-N 1 2 363.316 2.733 20 5 FFBDLO O=[N+]([O-])c1cc(F)cc(Br)c1O[C@@H]1CC[NH2+]CC1(F)F ZINC001218010702 1032949627 /nfs/dbraw/zinc/94/96/27/1032949627.db2.gz RLIZOCZNGMAFJZ-SECBINFHSA-N 1 2 355.110 2.872 20 5 FFBDLO COc1ccc2c(c1)C[N@@H+](Cn1nc(C)c3cc([N+](=O)[O-])cnc31)CC2 ZINC000749948040 1021157599 /nfs/dbraw/zinc/15/75/99/1021157599.db2.gz YHYJXGLGPOBIAA-UHFFFAOYSA-N 1 2 353.382 2.672 20 5 FFBDLO COc1ccc2c(c1)C[N@H+](Cn1nc(C)c3cc([N+](=O)[O-])cnc31)CC2 ZINC000749948040 1021157603 /nfs/dbraw/zinc/15/76/03/1021157603.db2.gz YHYJXGLGPOBIAA-UHFFFAOYSA-N 1 2 353.382 2.672 20 5 FFBDLO Cc1cc2nc3nc(=O)[nH]c(O[C@@H]4C[C@H]5CC[C@@H](C4)[NH2+]5)c3nc2cc1C ZINC001218185883 1033038608 /nfs/dbraw/zinc/03/86/08/1033038608.db2.gz JBGISCUYQIWLOW-CLLJXQQHSA-N 1 2 351.410 2.557 20 5 FFBDLO Cc1cc2nc3nc(=O)[nH]c(O[C@@H]4CC[NH2+]C5(CCC5)C4)c3nc2cc1C ZINC001218309444 1033097719 /nfs/dbraw/zinc/09/77/19/1033097719.db2.gz RBLYWLCRKIYJAY-CYBMUJFWSA-N 1 2 365.437 2.949 20 5 FFBDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)[C@H]2C1 ZINC000754797362 1023520144 /nfs/dbraw/zinc/52/01/44/1023520144.db2.gz OLLZDJZVOFEJRH-QYZOEREBSA-N 1 2 372.425 2.684 20 5 FFBDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)[C@H]2C1 ZINC000754797362 1023520148 /nfs/dbraw/zinc/52/01/48/1023520148.db2.gz OLLZDJZVOFEJRH-QYZOEREBSA-N 1 2 372.425 2.684 20 5 FFBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCO[C@H](CCc3ccccc3)C2)cc1 ZINC000755274193 1023586680 /nfs/dbraw/zinc/58/66/80/1023586680.db2.gz WFLPXEJSRALVDL-WOJBJXKFSA-N 1 2 356.422 2.962 20 5 FFBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCO[C@H](CCc3ccccc3)C2)cc1 ZINC000755274193 1023586684 /nfs/dbraw/zinc/58/66/84/1023586684.db2.gz WFLPXEJSRALVDL-WOJBJXKFSA-N 1 2 356.422 2.962 20 5 FFBDLO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000077356503 1023596359 /nfs/dbraw/zinc/59/63/59/1023596359.db2.gz LHWVIAVBTCRXTD-UHFFFAOYSA-N 1 2 359.430 2.590 20 5 FFBDLO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000077356503 1023596368 /nfs/dbraw/zinc/59/63/68/1023596368.db2.gz LHWVIAVBTCRXTD-UHFFFAOYSA-N 1 2 359.430 2.590 20 5 FFBDLO CCCCc1noc(COC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC000838100455 1026208847 /nfs/dbraw/zinc/20/88/47/1026208847.db2.gz DZGBXQKZFCFPRS-UHFFFAOYSA-N 1 2 371.353 2.863 20 5 FFBDLO Cc1ccc(COC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000839395939 1026665047 /nfs/dbraw/zinc/66/50/47/1026665047.db2.gz FFWKYHIGTVBQJR-LJQANCHMSA-N 1 2 370.405 2.847 20 5 FFBDLO Cc1ccc(COC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000839395939 1026665052 /nfs/dbraw/zinc/66/50/52/1026665052.db2.gz FFWKYHIGTVBQJR-LJQANCHMSA-N 1 2 370.405 2.847 20 5 FFBDLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001159829194 1027512931 /nfs/dbraw/zinc/51/29/31/1027512931.db2.gz ORLZPOLFWODESQ-GFCCVEGCSA-N 1 2 372.429 2.543 20 5 FFBDLO Cc1n[nH]cc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000093015342 1027558405 /nfs/dbraw/zinc/55/84/05/1027558405.db2.gz ACRNGVWBQHJVKV-UHFFFAOYSA-N 1 2 369.347 2.967 20 5 FFBDLO CCOC(=O)c1cc([N+](=O)[O-])cnc1NCC(C)(C)c1cc(OC)cc[nH+]1 ZINC001162130031 1028445571 /nfs/dbraw/zinc/44/55/71/1028445571.db2.gz UQEJMGJUERJDLV-UHFFFAOYSA-N 1 2 374.397 2.960 20 5 FFBDLO CC[C@H](C[NH+]1CCOCC1)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC001164177704 1029191185 /nfs/dbraw/zinc/19/11/85/1029191185.db2.gz WJGUCUPLYQIARP-GFCCVEGCSA-N 1 2 358.236 2.880 20 5 FFBDLO CCN(CCn1cc[nH+]c1)c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-] ZINC001157467529 1029592337 /nfs/dbraw/zinc/59/23/37/1029592337.db2.gz YDTCNTPYEFENMO-UHFFFAOYSA-N 1 2 364.715 2.780 20 5 FFBDLO COc1cc(N2CCN(c3nc(Cl)cc(C)c3[N+](=O)[O-])CC2)cc[nH+]1 ZINC001158097639 1029733478 /nfs/dbraw/zinc/73/34/78/1029733478.db2.gz FBLWFLWNRQXKOF-UHFFFAOYSA-N 1 2 363.805 2.682 20 5 FFBDLO NC(Cc1cccc(F)c1)=[NH+]O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000783152436 1029929077 /nfs/dbraw/zinc/92/90/77/1029929077.db2.gz OMWBHDYXFDAJDP-INIZCTEOSA-N 1 2 372.356 2.580 20 5 FFBDLO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCCN(c4ncccc4F)CC3)c2c1 ZINC000783979048 1030387015 /nfs/dbraw/zinc/38/70/15/1030387015.db2.gz HCFUDGNPKPSYLF-UHFFFAOYSA-N 1 2 370.388 2.648 20 5 FFBDLO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CCCN(c4ncccc4F)CC3)c2c1 ZINC000783979048 1030387029 /nfs/dbraw/zinc/38/70/29/1030387029.db2.gz HCFUDGNPKPSYLF-UHFFFAOYSA-N 1 2 370.388 2.648 20 5 FFBDLO Cc1cc(C(=O)N2CC[NH2+][C@@H](c3ccc(Cl)cc3)C2)c(N)c([N+](=O)[O-])c1 ZINC001149524753 1031529545 /nfs/dbraw/zinc/52/95/45/1031529545.db2.gz RIHICFAZBRFHLM-OAHLLOKOSA-N 1 2 374.828 2.926 20 5 FFBDLO O=C(Nc1c2c(ccc1F)OCO2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001535668518 1069866366 /nfs/dbraw/zinc/86/63/66/1069866366.db2.gz HRPMBKWHZHOGSQ-UHFFFAOYSA-N 1 2 370.296 2.901 20 5 FFBDLO O=[N+]([O-])c1ccc(C[N@H+](CCN2CCOCC2)Cc2ccco2)cc1F ZINC000832673711 1034905270 /nfs/dbraw/zinc/90/52/70/1034905270.db2.gz XHBPJDYZQKJEGI-UHFFFAOYSA-N 1 2 363.389 2.661 20 5 FFBDLO O=[N+]([O-])c1ccc(C[N@@H+](CCN2CCOCC2)Cc2ccco2)cc1F ZINC000832673711 1034905275 /nfs/dbraw/zinc/90/52/75/1034905275.db2.gz XHBPJDYZQKJEGI-UHFFFAOYSA-N 1 2 363.389 2.661 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001227184817 1034965109 /nfs/dbraw/zinc/96/51/09/1034965109.db2.gz KOCXCFNIQPJJLM-KRWDZBQOSA-N 1 2 358.394 2.883 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001227184817 1034965116 /nfs/dbraw/zinc/96/51/16/1034965116.db2.gz KOCXCFNIQPJJLM-KRWDZBQOSA-N 1 2 358.394 2.883 20 5 FFBDLO COC(=O)[C@@H]1CCCC[C@@H]1OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835263086 1035646549 /nfs/dbraw/zinc/64/65/49/1035646549.db2.gz HCBHMGDXKQOMIC-CJNGLKHVSA-N 1 2 373.365 2.669 20 5 FFBDLO O=C(O[C@H](C(F)F)[C@@H]1CCCO1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835361101 1035715931 /nfs/dbraw/zinc/71/59/31/1035715931.db2.gz WDMCEWNPYOLBSD-KBPBESRZSA-N 1 2 367.308 2.750 20 5 FFBDLO O=C(O[C@@H](C(F)F)[C@@H]1CCCO1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835361105 1035716647 /nfs/dbraw/zinc/71/66/47/1035716647.db2.gz WDMCEWNPYOLBSD-UONOGXRCSA-N 1 2 367.308 2.750 20 5 FFBDLO Cc1ccc(N2CCC[C@@H](Oc3nc(C4CC4)[nH]c(=O)c3[N+](=O)[O-])C2)[nH+]c1 ZINC001228610178 1036203288 /nfs/dbraw/zinc/20/32/88/1036203288.db2.gz QSWQFDZGOFTPOF-CYBMUJFWSA-N 1 2 371.397 2.719 20 5 FFBDLO Cc1nc(O[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229380077 1036642107 /nfs/dbraw/zinc/64/21/07/1036642107.db2.gz ZEPCNXGEGFSMDG-CYBMUJFWSA-N 1 2 362.361 2.581 20 5 FFBDLO Cc1nc(O[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229380077 1036642122 /nfs/dbraw/zinc/64/21/22/1036642122.db2.gz ZEPCNXGEGFSMDG-CYBMUJFWSA-N 1 2 362.361 2.581 20 5 FFBDLO Cc1ccnc([N+](=O)[O-])c1O[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001233557353 1036680889 /nfs/dbraw/zinc/68/08/89/1036680889.db2.gz SWUANUUPMUQJFK-RDJZCZTQSA-N 1 2 357.410 2.967 20 5 FFBDLO Cc1ccnc([N+](=O)[O-])c1O[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001233557353 1036680893 /nfs/dbraw/zinc/68/08/93/1036680893.db2.gz SWUANUUPMUQJFK-RDJZCZTQSA-N 1 2 357.410 2.967 20 5 FFBDLO C[N@@H+]1CCO[C@@H](COc2c(Br)cc(Cl)cc2[N+](=O)[O-])C1 ZINC001233788891 1036765490 /nfs/dbraw/zinc/76/54/90/1036765490.db2.gz LOLWINYNPBJTCM-SECBINFHSA-N 1 2 365.611 2.720 20 5 FFBDLO C[N@H+]1CCO[C@@H](COc2c(Br)cc(Cl)cc2[N+](=O)[O-])C1 ZINC001233788891 1036765504 /nfs/dbraw/zinc/76/55/04/1036765504.db2.gz LOLWINYNPBJTCM-SECBINFHSA-N 1 2 365.611 2.720 20 5 FFBDLO C[N@@H+]1CCC[C@@H](Oc2c(O)ccc3c(=O)c4c(O)cc(O)cc4oc32)C1 ZINC001234752260 1037169035 /nfs/dbraw/zinc/16/90/35/1037169035.db2.gz GFHCPRLHFCDMFZ-LLVKDONJSA-N 1 2 357.362 2.536 20 5 FFBDLO C[N@H+]1CCC[C@@H](Oc2c(O)ccc3c(=O)c4c(O)cc(O)cc4oc32)C1 ZINC001234752260 1037169046 /nfs/dbraw/zinc/16/90/46/1037169046.db2.gz GFHCPRLHFCDMFZ-LLVKDONJSA-N 1 2 357.362 2.536 20 5 FFBDLO COc1cc(N2CCC([N@@H+]3CCC[C@@H](F)C(=O)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093972 1038379458 /nfs/dbraw/zinc/37/94/58/1038379458.db2.gz UCIDQMGBPWLZST-OAHLLOKOSA-N 1 2 365.405 2.575 20 5 FFBDLO COc1cc(N2CCC([N@H+]3CCC[C@@H](F)C(=O)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093972 1038379466 /nfs/dbraw/zinc/37/94/66/1038379466.db2.gz UCIDQMGBPWLZST-OAHLLOKOSA-N 1 2 365.405 2.575 20 5 FFBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC001253110233 1039986624 /nfs/dbraw/zinc/98/66/24/1039986624.db2.gz PEVDLOWZUVCAKX-CYBMUJFWSA-N 1 2 367.409 2.905 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@@H](S(=O)(=O)c3ccccc3)C1)C2 ZINC001254602313 1040833162 /nfs/dbraw/zinc/83/31/62/1040833162.db2.gz DBDXBIZVZCQSRU-IEBWSBKVSA-N 1 2 372.446 2.610 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@@H](S(=O)(=O)c3ccccc3)C1)C2 ZINC001254602313 1040833175 /nfs/dbraw/zinc/83/31/75/1040833175.db2.gz DBDXBIZVZCQSRU-IEBWSBKVSA-N 1 2 372.446 2.610 20 5 FFBDLO Cc1nc(Nc2c(F)ccc([N+](=O)[O-])c2F)cc(N2CCOCC2)[nH+]1 ZINC001215287645 1041725341 /nfs/dbraw/zinc/72/53/41/1041725341.db2.gz UJNDQBJSIBYQRL-UHFFFAOYSA-N 1 2 351.313 2.552 20 5 FFBDLO CC1(C)COCC[N@@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001311330298 1043891290 /nfs/dbraw/zinc/89/12/90/1043891290.db2.gz CHLBAVMIDSMYIL-UHFFFAOYSA-N 1 2 372.425 2.980 20 5 FFBDLO CC1(C)COCC[N@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001311330298 1043891311 /nfs/dbraw/zinc/89/13/11/1043891311.db2.gz CHLBAVMIDSMYIL-UHFFFAOYSA-N 1 2 372.425 2.980 20 5 FFBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001322655214 1046167471 /nfs/dbraw/zinc/16/74/71/1046167471.db2.gz UUFSEUFNUVVQOI-SFHVURJKSA-N 1 2 354.410 2.661 20 5 FFBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001322655214 1046167478 /nfs/dbraw/zinc/16/74/78/1046167478.db2.gz UUFSEUFNUVVQOI-SFHVURJKSA-N 1 2 354.410 2.661 20 5 FFBDLO Cn1c[nH+]cc1C1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC001337766738 1055003421 /nfs/dbraw/zinc/00/34/21/1055003421.db2.gz MIVMNUGGYLBIQQ-UHFFFAOYSA-N 1 2 367.409 2.689 20 5 FFBDLO CCn1c[nH+]c2c1CCN(c1ncnc3c(Cl)cc([N+](=O)[O-])cc31)C2 ZINC001352088797 1055182991 /nfs/dbraw/zinc/18/29/91/1055182991.db2.gz OVPUOXDRNVBKQB-UHFFFAOYSA-N 1 2 358.789 2.971 20 5 FFBDLO COC(=O)/C=C\c1ccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)o1 ZINC000848877112 1055289131 /nfs/dbraw/zinc/28/91/31/1055289131.db2.gz PVEXKNMLVRETBT-HJWRWDBZSA-N 1 2 371.393 2.696 20 5 FFBDLO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c2ccccc12)[C@H]1CN(C)CC[N@@H+]1C ZINC001517886779 1058189169 /nfs/dbraw/zinc/18/91/69/1058189169.db2.gz BEPPJRRCCDGVEF-SCLBCKFNSA-N 1 2 371.441 2.504 20 5 FFBDLO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c2ccccc12)[C@H]1CN(C)CC[N@H+]1C ZINC001517886779 1058189177 /nfs/dbraw/zinc/18/91/77/1058189177.db2.gz BEPPJRRCCDGVEF-SCLBCKFNSA-N 1 2 371.441 2.504 20 5 FFBDLO C[C@@H](CC(=O)c1ccco1)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001446163427 1058485971 /nfs/dbraw/zinc/48/59/71/1058485971.db2.gz NDEKLBLYTSGUGU-LBPRGKRZSA-N 1 2 368.349 2.765 20 5 FFBDLO Cc1cc(NCCNC(=O)c2cccc([N+](=O)[O-])c2C)nc(C(C)C)[nH+]1 ZINC000600366545 1060315874 /nfs/dbraw/zinc/31/58/74/1060315874.db2.gz PFOKYRNBCALPOF-UHFFFAOYSA-N 1 2 357.414 2.967 20 5 FFBDLO COC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1ccccc1 ZINC001458070880 1060505537 /nfs/dbraw/zinc/50/55/37/1060505537.db2.gz RTMSGPQFRDIDSI-MRXNPFEDSA-N 1 2 366.377 2.898 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)Cc1cccc(=O)[nH]1 ZINC001460833939 1061121742 /nfs/dbraw/zinc/12/17/42/1061121742.db2.gz ZPUYPWNLRRECAO-SNVBAGLBSA-N 1 2 364.789 2.808 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC001460833939 1061121752 /nfs/dbraw/zinc/12/17/52/1061121752.db2.gz ZPUYPWNLRRECAO-SNVBAGLBSA-N 1 2 364.789 2.808 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@@]12CCCOC2 ZINC001460975036 1061172889 /nfs/dbraw/zinc/17/28/89/1061172889.db2.gz NHYGXMXWAIQWLD-SFHVURJKSA-N 1 2 363.414 2.577 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@@]12CCCOC2 ZINC001460975036 1061172896 /nfs/dbraw/zinc/17/28/96/1061172896.db2.gz NHYGXMXWAIQWLD-SFHVURJKSA-N 1 2 363.414 2.577 20 5 FFBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC001476664652 1061452873 /nfs/dbraw/zinc/45/28/73/1061452873.db2.gz PEWHPKPEWVKKKP-UHFFFAOYSA-N 1 2 370.837 2.789 20 5 FFBDLO CCc1cc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)nc(C)n1 ZINC001435164677 1062407231 /nfs/dbraw/zinc/40/72/31/1062407231.db2.gz BFPGQKQGPBZVQH-UHFFFAOYSA-N 1 2 352.354 2.694 20 5 FFBDLO O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)c1cc([N+](=O)[O-])n[nH]1 ZINC001467581036 1063790880 /nfs/dbraw/zinc/79/08/80/1063790880.db2.gz NRWUKSOOTXINSE-UHFFFAOYSA-N 1 2 352.354 2.770 20 5 FFBDLO O=C(NCc1[nH]c2c([nH+]1)CCCC2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001472063805 1064916422 /nfs/dbraw/zinc/91/64/22/1064916422.db2.gz BXGIWCKPBYQZRO-UHFFFAOYSA-N 1 2 355.398 2.701 20 5 FFBDLO CC(C)c1ccc(C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001584952404 1079407663 /nfs/dbraw/zinc/40/76/63/1079407663.db2.gz TVBYEKIRZOYNKN-SOUVJXGZSA-N 1 2 363.458 2.946 20 5 FFBDLO CC(C)c1ccc(C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001584952404 1079407665 /nfs/dbraw/zinc/40/76/65/1079407665.db2.gz TVBYEKIRZOYNKN-SOUVJXGZSA-N 1 2 363.458 2.946 20 5 FFBDLO C[NH+](C)Cc1nc(C2(NC(=O)Nc3cccc([N+](=O)[O-])c3)CCCC2)no1 ZINC000095398660 205753122 /nfs/dbraw/zinc/75/31/22/205753122.db2.gz GOBBSJQWVTUOQI-UHFFFAOYSA-N 1 2 374.401 2.630 20 5 FFBDLO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000017363143 249324900 /nfs/dbraw/zinc/32/49/00/249324900.db2.gz PJYVLFCXGJVSOC-UHFFFAOYSA-N 1 2 355.394 2.695 20 5 FFBDLO Cc1c(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000101866302 250091401 /nfs/dbraw/zinc/09/14/01/250091401.db2.gz MLJRHCHAUDQWPW-UHFFFAOYSA-N 1 2 373.369 2.794 20 5 FFBDLO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000106869709 250296189 /nfs/dbraw/zinc/29/61/89/250296189.db2.gz JQMOSHHNJNHIBP-ZDUSSCGKSA-N 1 2 351.403 2.702 20 5 FFBDLO COc1ccc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000106869709 250296192 /nfs/dbraw/zinc/29/61/92/250296192.db2.gz JQMOSHHNJNHIBP-ZDUSSCGKSA-N 1 2 351.403 2.702 20 5 FFBDLO COc1ccc(C[N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1O ZINC000267381538 251339576 /nfs/dbraw/zinc/33/95/76/251339576.db2.gz MPPHATWIICVDIC-UHFFFAOYSA-N 1 2 360.366 2.808 20 5 FFBDLO COc1ccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1O ZINC000267381538 251339581 /nfs/dbraw/zinc/33/95/81/251339581.db2.gz MPPHATWIICVDIC-UHFFFAOYSA-N 1 2 360.366 2.808 20 5 FFBDLO CS(=O)(=O)C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000271769288 251872153 /nfs/dbraw/zinc/87/21/53/251872153.db2.gz IESUQMRWHZGGMU-MRXNPFEDSA-N 1 2 352.387 2.609 20 5 FFBDLO Cc1ccc([C@H](O)C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000272511826 252056781 /nfs/dbraw/zinc/05/67/81/252056781.db2.gz JFALBKYXQQSPDB-WBVHZDCISA-N 1 2 356.382 2.642 20 5 FFBDLO C[C@H]1CN(c2ccc(CNc3nc4cc([N+](=O)[O-])ccc4[nH]3)c[nH+]2)CCO1 ZINC000277885710 256251825 /nfs/dbraw/zinc/25/18/25/256251825.db2.gz PZPBBJCEMQOKMI-LBPRGKRZSA-N 1 2 368.397 2.703 20 5 FFBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000279071931 256378459 /nfs/dbraw/zinc/37/84/59/256378459.db2.gz FIDIFRRMPFHLOH-UHFFFAOYSA-N 1 2 361.398 2.524 20 5 FFBDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000279071931 256378460 /nfs/dbraw/zinc/37/84/60/256378460.db2.gz FIDIFRRMPFHLOH-UHFFFAOYSA-N 1 2 361.398 2.524 20 5 FFBDLO Cc1cc(N2CCO[C@@]3(CCO[C@@H]3C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000280223325 256493298 /nfs/dbraw/zinc/49/32/98/256493298.db2.gz HHYDIXFJMHWQJZ-KUHUBIRLSA-N 1 2 370.409 2.744 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282753240 256784815 /nfs/dbraw/zinc/78/48/15/256784815.db2.gz JYDYCRZQVPKCDL-CYBMUJFWSA-N 1 2 370.409 2.853 20 5 FFBDLO CC(C)c1ccc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000285971023 257013812 /nfs/dbraw/zinc/01/38/12/257013812.db2.gz WMVKJQCTQSGHIN-GOEBONIOSA-N 1 2 361.442 2.653 20 5 FFBDLO CCN(CC)c1ccc(CNc2nc(C(=O)OC)ccc2[N+](=O)[O-])c[nH+]1 ZINC000286513582 257040578 /nfs/dbraw/zinc/04/05/78/257040578.db2.gz WYYIHTXWYNBLFK-UHFFFAOYSA-N 1 2 359.386 2.630 20 5 FFBDLO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC2 ZINC000286382777 257034103 /nfs/dbraw/zinc/03/41/03/257034103.db2.gz KLZYCUFMIUDYOW-JKSUJKDBSA-N 1 2 356.369 2.625 20 5 FFBDLO COCC(C)(C)CCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000288185613 257158028 /nfs/dbraw/zinc/15/80/28/257158028.db2.gz NGDVAWGKWYNGLG-UHFFFAOYSA-N 1 2 360.414 2.963 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CCC=C(c3cccnc3)C2)c([N+](=O)[O-])c1 ZINC000289388331 257278097 /nfs/dbraw/zinc/27/80/97/257278097.db2.gz QSDRUCJSMNWIJS-UHFFFAOYSA-N 1 2 368.393 2.726 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CCC=C(c3cccnc3)C2)c([N+](=O)[O-])c1 ZINC000289388331 257278098 /nfs/dbraw/zinc/27/80/98/257278098.db2.gz QSDRUCJSMNWIJS-UHFFFAOYSA-N 1 2 368.393 2.726 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2nc(CNCC[N@@H+]3CCCOCC3)cs2)c1 ZINC000289413353 257279823 /nfs/dbraw/zinc/27/98/23/257279823.db2.gz IEBLMDBTBLPLOT-UHFFFAOYSA-N 1 2 362.455 2.530 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2nc(CNCC[N@H+]3CCCOCC3)cs2)c1 ZINC000289413353 257279824 /nfs/dbraw/zinc/27/98/24/257279824.db2.gz IEBLMDBTBLPLOT-UHFFFAOYSA-N 1 2 362.455 2.530 20 5 FFBDLO O=C(C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000289472897 257283165 /nfs/dbraw/zinc/28/31/65/257283165.db2.gz HPGWFOLKFHTBCQ-PKOBYXMFSA-N 1 2 371.437 2.517 20 5 FFBDLO O=C(C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000289472897 257283166 /nfs/dbraw/zinc/28/31/66/257283166.db2.gz HPGWFOLKFHTBCQ-PKOBYXMFSA-N 1 2 371.437 2.517 20 5 FFBDLO CC(C)[C@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000288906994 257236914 /nfs/dbraw/zinc/23/69/14/257236914.db2.gz KCWNHBXADYDVFK-LBPRGKRZSA-N 1 2 358.807 2.647 20 5 FFBDLO Cc1cnn([C@@H]2CC[N@H+](CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C2)c1 ZINC000289894297 257305259 /nfs/dbraw/zinc/30/52/59/257305259.db2.gz MXPCSYUITCIVLV-CYBMUJFWSA-N 1 2 363.805 2.639 20 5 FFBDLO Cc1cnn([C@@H]2CC[N@@H+](CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C2)c1 ZINC000289894297 257305260 /nfs/dbraw/zinc/30/52/60/257305260.db2.gz MXPCSYUITCIVLV-CYBMUJFWSA-N 1 2 363.805 2.639 20 5 FFBDLO CCn1c2ccccc2[nH+]c1CCNc1ccc([N+](=O)[O-])cc1C(=O)NC ZINC000301090219 258024516 /nfs/dbraw/zinc/02/45/16/258024516.db2.gz HNDOXVGBGJFMJM-UHFFFAOYSA-N 1 2 367.409 2.979 20 5 FFBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000301129543 258028086 /nfs/dbraw/zinc/02/80/86/258028086.db2.gz ZDLYFFOQAUHYNJ-UHFFFAOYSA-N 1 2 359.773 2.868 20 5 FFBDLO Cc1cc(N2CCC[C@@H](CCC(N)=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301163808 258030795 /nfs/dbraw/zinc/03/07/95/258030795.db2.gz TXOCXUWUYSUJLW-AWEZNQCLSA-N 1 2 369.425 2.842 20 5 FFBDLO C[N@@H+]1CCO[C@@H]([C@H](Nc2ncc([N+](=O)[O-])cn2)c2ccc(Cl)cc2)C1 ZINC000302239535 258097154 /nfs/dbraw/zinc/09/71/54/258097154.db2.gz XBNVTOBYNYAXHF-HUUCEWRRSA-N 1 2 363.805 2.522 20 5 FFBDLO C[N@H+]1CCO[C@@H]([C@H](Nc2ncc([N+](=O)[O-])cn2)c2ccc(Cl)cc2)C1 ZINC000302239535 258097155 /nfs/dbraw/zinc/09/71/55/258097155.db2.gz XBNVTOBYNYAXHF-HUUCEWRRSA-N 1 2 363.805 2.522 20 5 FFBDLO Cc1cc(N2CC[N@H+](CCO)C(C)(C)C2)c(Br)cc1[N+](=O)[O-] ZINC000302670684 258107610 /nfs/dbraw/zinc/10/76/10/258107610.db2.gz KKEIJCVPKCLPSZ-UHFFFAOYSA-N 1 2 372.263 2.559 20 5 FFBDLO Cc1cc(N2CC[N@@H+](CCO)C(C)(C)C2)c(Br)cc1[N+](=O)[O-] ZINC000302670684 258107611 /nfs/dbraw/zinc/10/76/11/258107611.db2.gz KKEIJCVPKCLPSZ-UHFFFAOYSA-N 1 2 372.263 2.559 20 5 FFBDLO Cc1cc(N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c(Br)cc1[N+](=O)[O-] ZINC000302718289 258108944 /nfs/dbraw/zinc/10/89/44/258108944.db2.gz YZXJVBNOINFZFF-VXGBXAGGSA-N 1 2 372.263 2.557 20 5 FFBDLO Cc1cc(N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c(Br)cc1[N+](=O)[O-] ZINC000302718289 258108945 /nfs/dbraw/zinc/10/89/45/258108945.db2.gz YZXJVBNOINFZFF-VXGBXAGGSA-N 1 2 372.263 2.557 20 5 FFBDLO Cc1cc(N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c(Br)cc1[N+](=O)[O-] ZINC000302718287 258108976 /nfs/dbraw/zinc/10/89/76/258108976.db2.gz YZXJVBNOINFZFF-RYUDHWBXSA-N 1 2 372.263 2.557 20 5 FFBDLO Cc1cc(N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c(Br)cc1[N+](=O)[O-] ZINC000302718287 258108977 /nfs/dbraw/zinc/10/89/77/258108977.db2.gz YZXJVBNOINFZFF-RYUDHWBXSA-N 1 2 372.263 2.557 20 5 FFBDLO Cc1ccc(N2CC[NH+](CC(=O)N(C)C3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000301440448 258049818 /nfs/dbraw/zinc/04/98/18/258049818.db2.gz MGFLWEFAOFJWSY-UHFFFAOYSA-N 1 2 374.485 2.816 20 5 FFBDLO Cc1cc(N2CCO[C@@H]([C@@H]3CCCO3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301607778 258058436 /nfs/dbraw/zinc/05/84/36/258058436.db2.gz OAORXKJYXBZWAH-DLBZAZTESA-N 1 2 370.409 2.744 20 5 FFBDLO Cc1cc(N[C@@H]2CCCC[C@@H]2C(N)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301835588 258069859 /nfs/dbraw/zinc/06/98/59/258069859.db2.gz UNAOXZLZKHOJJF-LSDHHAIUSA-N 1 2 355.398 2.816 20 5 FFBDLO Cc1cccn2cc(CNc3sc(S(C)(=O)=O)cc3[N+](=O)[O-])[nH+]c12 ZINC000302002280 258081407 /nfs/dbraw/zinc/08/14/07/258081407.db2.gz SIVWBOTYQXKRDS-UHFFFAOYSA-N 1 2 366.424 2.628 20 5 FFBDLO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000331304123 258181795 /nfs/dbraw/zinc/18/17/95/258181795.db2.gz YBGCKPPHVNBCNW-JRPNMDOOSA-N 1 2 355.822 2.668 20 5 FFBDLO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000331304123 258181796 /nfs/dbraw/zinc/18/17/96/258181796.db2.gz YBGCKPPHVNBCNW-JRPNMDOOSA-N 1 2 355.822 2.668 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H]2CCCCN2C[C@H]1C ZINC000332007016 258209640 /nfs/dbraw/zinc/20/96/40/258209640.db2.gz JJQONTLPJIUVJF-NVXWUHKLSA-N 1 2 360.458 2.790 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H]2CCCCN2C[C@H]1C ZINC000332007016 258209641 /nfs/dbraw/zinc/20/96/41/258209641.db2.gz JJQONTLPJIUVJF-NVXWUHKLSA-N 1 2 360.458 2.790 20 5 FFBDLO CCN1CCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000332442238 258230684 /nfs/dbraw/zinc/23/06/84/258230684.db2.gz RWPCIGMTDANNNY-OAHLLOKOSA-N 1 2 372.429 2.845 20 5 FFBDLO COc1c(C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)cccc1[N+](=O)[O-] ZINC000332632563 258238440 /nfs/dbraw/zinc/23/84/40/258238440.db2.gz PYTBGOWEKLYGHU-UHFFFAOYSA-N 1 2 358.398 2.659 20 5 FFBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cccc3c2OCCO3)CC1 ZINC000109471215 132245372 /nfs/dbraw/zinc/24/53/72/132245372.db2.gz RNXOGHTWEBJYFM-UHFFFAOYSA-N 1 2 355.394 2.688 20 5 FFBDLO Cc1c(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000373072437 512158360 /nfs/dbraw/zinc/15/83/60/512158360.db2.gz XJQOCNZNBOEREU-GFCCVEGCSA-N 1 2 373.369 2.565 20 5 FFBDLO O=C(NCc1cc(F)cc(F)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032165532 506234080 /nfs/dbraw/zinc/23/40/80/506234080.db2.gz CFJIMFKYADOIOB-UHFFFAOYSA-N 1 2 358.304 2.989 20 5 FFBDLO COc1ccccc1C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000053238368 506339667 /nfs/dbraw/zinc/33/96/67/506339667.db2.gz ULNQJMFCNPGABB-UHFFFAOYSA-N 1 2 355.394 2.867 20 5 FFBDLO COc1ccccc1C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000053238368 506339679 /nfs/dbraw/zinc/33/96/79/506339679.db2.gz ULNQJMFCNPGABB-UHFFFAOYSA-N 1 2 355.394 2.867 20 5 FFBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000368975856 512165358 /nfs/dbraw/zinc/16/53/58/512165358.db2.gz SLMZVNQUQQWCOI-MAZHCROVSA-N 1 2 372.450 2.804 20 5 FFBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000368975856 512165362 /nfs/dbraw/zinc/16/53/62/512165362.db2.gz SLMZVNQUQQWCOI-MAZHCROVSA-N 1 2 372.450 2.804 20 5 FFBDLO C[C@H]1[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000377347244 512226283 /nfs/dbraw/zinc/22/62/83/512226283.db2.gz QVJKBELFWPQPOR-GUYCJALGSA-N 1 2 355.394 2.693 20 5 FFBDLO O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000054224050 506516047 /nfs/dbraw/zinc/51/60/47/506516047.db2.gz TUDPVIYIYXAHNO-UHFFFAOYSA-N 1 2 356.313 2.937 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000007640281 506576328 /nfs/dbraw/zinc/57/63/28/506576328.db2.gz BDCSCTHJJHMZTL-UHFFFAOYSA-N 1 2 357.366 2.702 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000007640281 506576336 /nfs/dbraw/zinc/57/63/36/506576336.db2.gz BDCSCTHJJHMZTL-UHFFFAOYSA-N 1 2 357.366 2.702 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000008111663 506622238 /nfs/dbraw/zinc/62/22/38/506622238.db2.gz WQOCRBPIWPYOPO-UHFFFAOYSA-N 1 2 360.370 2.546 20 5 FFBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1ccc(NC3CC3)c([N+](=O)[O-])c1)CCC2 ZINC000371255115 512290930 /nfs/dbraw/zinc/29/09/30/512290930.db2.gz DMJSDCMPNUZSFM-AWEZNQCLSA-N 1 2 369.425 2.981 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000067132246 506766621 /nfs/dbraw/zinc/76/66/21/506766621.db2.gz OVGCBQUQSSTYSC-UHFFFAOYSA-N 1 2 369.421 2.665 20 5 FFBDLO Cc1c(C(=O)Nc2ccccc2C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000055816165 506858528 /nfs/dbraw/zinc/85/85/28/506858528.db2.gz PQHPYDZXRYKDGY-UHFFFAOYSA-N 1 2 355.394 2.988 20 5 FFBDLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1cccc([N+](=O)[O-])c1 ZINC000018179041 507142285 /nfs/dbraw/zinc/14/22/85/507142285.db2.gz NLQOECMIYOFPIY-GOSISDBHSA-N 1 2 370.409 2.617 20 5 FFBDLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1cccc([N+](=O)[O-])c1 ZINC000018179041 507142287 /nfs/dbraw/zinc/14/22/87/507142287.db2.gz NLQOECMIYOFPIY-GOSISDBHSA-N 1 2 370.409 2.617 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(CN3CC[NH+](Cc4ccco4)CC3)n2)cc1 ZINC000047406705 507324249 /nfs/dbraw/zinc/32/42/49/507324249.db2.gz AXALXMGMAVHGPV-UHFFFAOYSA-N 1 2 369.381 2.556 20 5 FFBDLO COc1ccc(CC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000069394356 507480292 /nfs/dbraw/zinc/48/02/92/507480292.db2.gz LIZLXWIUPGPEQU-UHFFFAOYSA-N 1 2 366.377 2.648 20 5 FFBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000069429137 507489962 /nfs/dbraw/zinc/48/99/62/507489962.db2.gz NFXGSHPDZXSBLX-LBPRGKRZSA-N 1 2 352.350 2.977 20 5 FFBDLO COC(=O)c1ccc([C@H](C)[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)o1 ZINC000025916526 507542402 /nfs/dbraw/zinc/54/24/02/507542402.db2.gz ANAKGQRLBBJGEW-ZDUSSCGKSA-N 1 2 359.382 2.858 20 5 FFBDLO O=C(CCN1CC[NH+](Cc2ccsc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000026336604 507578811 /nfs/dbraw/zinc/57/88/11/507578811.db2.gz MNZDYQHCHHYPBR-UHFFFAOYSA-N 1 2 374.466 2.803 20 5 FFBDLO CN(Cc1[nH+]ccn1C)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000049603072 507624916 /nfs/dbraw/zinc/62/49/16/507624916.db2.gz JUOHUSUXHFVXSZ-UHFFFAOYSA-N 1 2 372.303 2.542 20 5 FFBDLO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cnn(-c2ccccc2)c1 ZINC000027550752 507664912 /nfs/dbraw/zinc/66/49/12/507664912.db2.gz UPCVWSMVPBQLQY-UHFFFAOYSA-N 1 2 365.393 2.851 20 5 FFBDLO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cnn(-c2ccccc2)c1 ZINC000027550752 507664916 /nfs/dbraw/zinc/66/49/16/507664916.db2.gz UPCVWSMVPBQLQY-UHFFFAOYSA-N 1 2 365.393 2.851 20 5 FFBDLO CCOc1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000369343221 512359961 /nfs/dbraw/zinc/35/99/61/512359961.db2.gz LBUZJTYCZYUEJE-CQSZACIVSA-N 1 2 358.398 2.747 20 5 FFBDLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000029910855 507795598 /nfs/dbraw/zinc/79/55/98/507795598.db2.gz FIUREIYAJXFUJF-UHFFFAOYSA-N 1 2 352.306 2.762 20 5 FFBDLO COc1cccc(C(=O)N2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000052530694 507812895 /nfs/dbraw/zinc/81/28/95/507812895.db2.gz QLACYIJSKWPFAR-UHFFFAOYSA-N 1 2 369.421 2.604 20 5 FFBDLO CC(C)Cn1nccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000072628797 507833491 /nfs/dbraw/zinc/83/34/91/507833491.db2.gz SNMYMRKNNHJCHM-UHFFFAOYSA-N 1 2 354.370 2.885 20 5 FFBDLO C[C@@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[N@@H+]1CCc2ccccc2C1 ZINC000089420917 507836988 /nfs/dbraw/zinc/83/69/88/507836988.db2.gz HYIOAOZFSYRSSM-LBPRGKRZSA-N 1 2 365.393 2.856 20 5 FFBDLO C[C@@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[N@H+]1CCc2ccccc2C1 ZINC000089420917 507836991 /nfs/dbraw/zinc/83/69/91/507836991.db2.gz HYIOAOZFSYRSSM-LBPRGKRZSA-N 1 2 365.393 2.856 20 5 FFBDLO CCN(CC)c1ccc(CNC(=O)CCNc2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000108170044 507879517 /nfs/dbraw/zinc/87/95/17/507879517.db2.gz MWCGALCFUIFUKL-UHFFFAOYSA-N 1 2 371.441 2.954 20 5 FFBDLO O=C(C[NH+]1CCC(n2ccnc2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000109793274 507987340 /nfs/dbraw/zinc/98/73/40/507987340.db2.gz CACBVYNLDVRGSE-UHFFFAOYSA-N 1 2 363.805 2.720 20 5 FFBDLO CCC[C@@](C)([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C(=O)OC ZINC000109803335 507988620 /nfs/dbraw/zinc/98/86/20/507988620.db2.gz SZCQJKOVUSAKDF-QGZVFWFLSA-N 1 2 351.403 2.553 20 5 FFBDLO CC(C)[C@]1(CO)CC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000377641236 512371870 /nfs/dbraw/zinc/37/18/70/512371870.db2.gz KOXVACIZGXKTBN-SJKOYZFVSA-N 1 2 369.849 2.916 20 5 FFBDLO CC(C)[C@]1(CO)CC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000377641236 512371875 /nfs/dbraw/zinc/37/18/75/512371875.db2.gz KOXVACIZGXKTBN-SJKOYZFVSA-N 1 2 369.849 2.916 20 5 FFBDLO O=C(C[N@@H+]1CCc2cc(F)ccc2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000091893632 508022798 /nfs/dbraw/zinc/02/27/98/508022798.db2.gz RDBVXHDLAPBYRH-UHFFFAOYSA-N 1 2 355.369 2.681 20 5 FFBDLO O=C(C[N@H+]1CCc2cc(F)ccc2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000091893632 508022801 /nfs/dbraw/zinc/02/28/01/508022801.db2.gz RDBVXHDLAPBYRH-UHFFFAOYSA-N 1 2 355.369 2.681 20 5 FFBDLO O=[N+]([O-])c1ccc(OCCC[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC000375527137 512377938 /nfs/dbraw/zinc/37/79/38/512377938.db2.gz WNGGNQZJQFIYFE-QGZVFWFLSA-N 1 2 353.382 2.861 20 5 FFBDLO O=C(NC[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000092783838 508100808 /nfs/dbraw/zinc/10/08/08/508100808.db2.gz NOJGDTYPTQHMHC-OAHLLOKOSA-N 1 2 369.421 2.942 20 5 FFBDLO O=C(NC[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000092783838 508100810 /nfs/dbraw/zinc/10/08/10/508100810.db2.gz NOJGDTYPTQHMHC-OAHLLOKOSA-N 1 2 369.421 2.942 20 5 FFBDLO Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc[nH+]1 ZINC000111546671 508107864 /nfs/dbraw/zinc/10/78/64/508107864.db2.gz LJQNEZNAMVBAAY-LBPRGKRZSA-N 1 2 360.395 2.603 20 5 FFBDLO COc1cc(C[N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1O ZINC000080847747 508108040 /nfs/dbraw/zinc/10/80/40/508108040.db2.gz MPVKSOJTCHCZLQ-UHFFFAOYSA-N 1 2 359.382 2.688 20 5 FFBDLO COc1cc(C[N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1O ZINC000080847747 508108045 /nfs/dbraw/zinc/10/80/45/508108045.db2.gz MPVKSOJTCHCZLQ-UHFFFAOYSA-N 1 2 359.382 2.688 20 5 FFBDLO COc1ccc(C[N@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1O ZINC000080963448 508117658 /nfs/dbraw/zinc/11/76/58/508117658.db2.gz SWKZDJOPWSFTLZ-UHFFFAOYSA-N 1 2 359.382 2.688 20 5 FFBDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1O ZINC000080963448 508117659 /nfs/dbraw/zinc/11/76/59/508117659.db2.gz SWKZDJOPWSFTLZ-UHFFFAOYSA-N 1 2 359.382 2.688 20 5 FFBDLO Cn1cc[nH+]c1C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000081318774 508162090 /nfs/dbraw/zinc/16/20/90/508162090.db2.gz NASLHTLUELEWLU-SFHVURJKSA-N 1 2 364.405 2.971 20 5 FFBDLO O=C(Cc1ccccc1[N+](=O)[O-])NCc1[nH+]ccn1CCc1ccccc1 ZINC000081930040 508219164 /nfs/dbraw/zinc/21/91/64/508219164.db2.gz OZDGKRUHIUSSBM-UHFFFAOYSA-N 1 2 364.405 2.893 20 5 FFBDLO O=[N+]([O-])c1ccc2oc(C[NH+]3CCN(c4ccc(O)cc4)CC3)nc2c1 ZINC000083127110 508237205 /nfs/dbraw/zinc/23/72/05/508237205.db2.gz PKESGALRKQNERY-UHFFFAOYSA-N 1 2 354.366 2.764 20 5 FFBDLO O=C(NCCCNc1cccc[nH+]1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000115162294 508372969 /nfs/dbraw/zinc/37/29/69/508372969.db2.gz QAPOQUFEBHSFHS-UHFFFAOYSA-N 1 2 355.398 2.796 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000106242251 508398577 /nfs/dbraw/zinc/39/85/77/508398577.db2.gz CLJRDSWHPALOIF-UWVGGRQHSA-N 1 2 350.400 2.738 20 5 FFBDLO NC(=O)c1ccc(C[N@@H+]2CCSC[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000115560186 508408841 /nfs/dbraw/zinc/40/88/41/508408841.db2.gz IJMQXXRYVZVQMK-QGZVFWFLSA-N 1 2 357.435 2.984 20 5 FFBDLO NC(=O)c1ccc(C[N@H+]2CCSC[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000115560186 508408842 /nfs/dbraw/zinc/40/88/42/508408842.db2.gz IJMQXXRYVZVQMK-QGZVFWFLSA-N 1 2 357.435 2.984 20 5 FFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000152376773 508434302 /nfs/dbraw/zinc/43/43/02/508434302.db2.gz SGYYBNGNVSJRMN-KCXAZCMYSA-N 1 2 374.397 2.586 20 5 FFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000152376773 508434307 /nfs/dbraw/zinc/43/43/07/508434307.db2.gz SGYYBNGNVSJRMN-KCXAZCMYSA-N 1 2 374.397 2.586 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000116601868 508536784 /nfs/dbraw/zinc/53/67/84/508536784.db2.gz LFGHGPWQRAHTNC-UHFFFAOYSA-N 1 2 358.379 2.890 20 5 FFBDLO Cc1ccccc1CN(C)C(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153041556 508542482 /nfs/dbraw/zinc/54/24/82/508542482.db2.gz OBHYEWJCWMPIEB-UHFFFAOYSA-N 1 2 353.422 2.920 20 5 FFBDLO Cc1ccccc1CN(C)C(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153041556 508542488 /nfs/dbraw/zinc/54/24/88/508542488.db2.gz OBHYEWJCWMPIEB-UHFFFAOYSA-N 1 2 353.422 2.920 20 5 FFBDLO Cc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153081740 508546132 /nfs/dbraw/zinc/54/61/32/508546132.db2.gz DLYBGUFBRNPYIV-HNNXBMFYSA-N 1 2 353.422 2.966 20 5 FFBDLO Cc1ccccc1CNC(=O)[C@H](C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153081740 508546134 /nfs/dbraw/zinc/54/61/34/508546134.db2.gz DLYBGUFBRNPYIV-HNNXBMFYSA-N 1 2 353.422 2.966 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153094117 508547445 /nfs/dbraw/zinc/54/74/45/508547445.db2.gz FIRHGTQRBJXHRE-LBPRGKRZSA-N 1 2 369.377 2.709 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153094117 508547450 /nfs/dbraw/zinc/54/74/50/508547450.db2.gz FIRHGTQRBJXHRE-LBPRGKRZSA-N 1 2 369.377 2.709 20 5 FFBDLO C[N@H+](CCc1nccs1)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000158025975 508646756 /nfs/dbraw/zinc/64/67/56/508646756.db2.gz OGYGSGBABCZAFF-UHFFFAOYSA-N 1 2 354.819 2.818 20 5 FFBDLO C[N@@H+](CCc1nccs1)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000158025975 508646759 /nfs/dbraw/zinc/64/67/59/508646759.db2.gz OGYGSGBABCZAFF-UHFFFAOYSA-N 1 2 354.819 2.818 20 5 FFBDLO Cc1ccc(C[NH+](C)C)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000154026614 508701474 /nfs/dbraw/zinc/70/14/74/508701474.db2.gz VTBMEGKFJFYIHO-UHFFFAOYSA-N 1 2 367.402 2.905 20 5 FFBDLO COc1cc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)ccc1[N+](=O)[O-] ZINC000154353727 508766779 /nfs/dbraw/zinc/76/67/79/508766779.db2.gz CSDVNHATBHODNH-UHFFFAOYSA-N 1 2 370.409 2.919 20 5 FFBDLO O=C(C[C@H]1COCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000119332306 508774496 /nfs/dbraw/zinc/77/44/96/508774496.db2.gz AUKXWPATFFDXOW-SFHVURJKSA-N 1 2 370.405 2.947 20 5 FFBDLO O=C(C[C@H]1COCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000119332306 508774499 /nfs/dbraw/zinc/77/44/99/508774499.db2.gz AUKXWPATFFDXOW-SFHVURJKSA-N 1 2 370.405 2.947 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000119928915 508892382 /nfs/dbraw/zinc/89/23/82/508892382.db2.gz QYSHOMDMTUDTSH-UHFFFAOYSA-N 1 2 370.413 2.664 20 5 FFBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000159823966 508896009 /nfs/dbraw/zinc/89/60/09/508896009.db2.gz KOHZBSHXIDLPHX-UHFFFAOYSA-N 1 2 352.394 2.920 20 5 FFBDLO COCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccccc1 ZINC000120233198 508955293 /nfs/dbraw/zinc/95/52/93/508955293.db2.gz YVJHCDGHZJJXKE-UHFFFAOYSA-N 1 2 357.410 2.990 20 5 FFBDLO COCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccccc1 ZINC000120233198 508955296 /nfs/dbraw/zinc/95/52/96/508955296.db2.gz YVJHCDGHZJJXKE-UHFFFAOYSA-N 1 2 357.410 2.990 20 5 FFBDLO CC(C)CO[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000120236044 508956017 /nfs/dbraw/zinc/95/60/17/508956017.db2.gz PYICBBCMBNIXFP-ZDUSSCGKSA-N 1 2 355.822 2.934 20 5 FFBDLO CC(C)CO[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000120236044 508956021 /nfs/dbraw/zinc/95/60/21/508956021.db2.gz PYICBBCMBNIXFP-ZDUSSCGKSA-N 1 2 355.822 2.934 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCCc3occc3C2)c([N+](=O)[O-])c1 ZINC000367296423 512429596 /nfs/dbraw/zinc/42/95/96/512429596.db2.gz XCWKBVSIUVCXBW-GFCCVEGCSA-N 1 2 359.382 2.972 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCCc3occc3C2)c([N+](=O)[O-])c1 ZINC000367296423 512429602 /nfs/dbraw/zinc/42/96/02/512429602.db2.gz XCWKBVSIUVCXBW-GFCCVEGCSA-N 1 2 359.382 2.972 20 5 FFBDLO C[C@H](C(=O)NC(=O)Nc1ccccc1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000132586412 509049072 /nfs/dbraw/zinc/04/90/72/509049072.db2.gz AYMWHJQJKKMFBG-CYBMUJFWSA-N 1 2 368.393 2.690 20 5 FFBDLO C[C@H](C(=O)NC(=O)Nc1ccccc1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000132586412 509049076 /nfs/dbraw/zinc/04/90/76/509049076.db2.gz AYMWHJQJKKMFBG-CYBMUJFWSA-N 1 2 368.393 2.690 20 5 FFBDLO O=c1cc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)nc2sccn21 ZINC000155730923 509061092 /nfs/dbraw/zinc/06/10/92/509061092.db2.gz DPFGEVRLSJXLTI-UHFFFAOYSA-N 1 2 356.407 2.829 20 5 FFBDLO O=c1cc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)nc2sccn21 ZINC000155730923 509061093 /nfs/dbraw/zinc/06/10/93/509061093.db2.gz DPFGEVRLSJXLTI-UHFFFAOYSA-N 1 2 356.407 2.829 20 5 FFBDLO O=C(C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000151832406 509092311 /nfs/dbraw/zinc/09/23/11/509092311.db2.gz NPTMMLGACJMPDX-CJNGLKHVSA-N 1 2 359.382 2.714 20 5 FFBDLO O=C(C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000151832406 509092314 /nfs/dbraw/zinc/09/23/14/509092314.db2.gz NPTMMLGACJMPDX-CJNGLKHVSA-N 1 2 359.382 2.714 20 5 FFBDLO COc1ccc(C[NH+]2CCN(c3ncccc3Cl)CC2)cc1[N+](=O)[O-] ZINC000155942430 509097852 /nfs/dbraw/zinc/09/78/52/509097852.db2.gz ANNMQXVHWTYPQM-UHFFFAOYSA-N 1 2 362.817 2.974 20 5 FFBDLO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)cc1 ZINC000121146526 509138249 /nfs/dbraw/zinc/13/82/49/509138249.db2.gz UYKXMWACFQUQFM-LLVKDONJSA-N 1 2 367.365 2.681 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(CC(=O)N2CCCCC2)CC1 ZINC000182586041 509318747 /nfs/dbraw/zinc/31/87/47/509318747.db2.gz PIIXHKJQJVHGFF-QGZVFWFLSA-N 1 2 374.485 2.594 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000182586041 509318751 /nfs/dbraw/zinc/31/87/51/509318751.db2.gz PIIXHKJQJVHGFF-QGZVFWFLSA-N 1 2 374.485 2.594 20 5 FFBDLO NC(=O)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 ZINC000179218587 509324089 /nfs/dbraw/zinc/32/40/89/509324089.db2.gz LZSSHDMIBCDUDN-CQSZACIVSA-N 1 2 364.199 2.674 20 5 FFBDLO CC1(C)[C@@H]2C[N@@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3Br)C[C@@H]21 ZINC000172973850 509330260 /nfs/dbraw/zinc/33/02/60/509330260.db2.gz XYINKIQCEFWMQQ-PHIMTYICSA-N 1 2 368.231 2.884 20 5 FFBDLO CC1(C)[C@@H]2C[N@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3Br)C[C@@H]21 ZINC000172973850 509330263 /nfs/dbraw/zinc/33/02/63/509330263.db2.gz XYINKIQCEFWMQQ-PHIMTYICSA-N 1 2 368.231 2.884 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3c[nH+]ccc32)c(C(F)(F)F)c1 ZINC000163426899 509373940 /nfs/dbraw/zinc/37/39/40/509373940.db2.gz WNZVXRZVDDOLOY-UHFFFAOYSA-N 1 2 373.312 2.760 20 5 FFBDLO Cc1cc(Br)c2c(c1)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000189234098 509476534 /nfs/dbraw/zinc/47/65/34/509476534.db2.gz RGLMZJFFRCORLN-UHFFFAOYSA-N 1 2 365.231 2.921 20 5 FFBDLO Cc1cc(Br)c2c(c1)C[N@H+](CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000189234098 509476539 /nfs/dbraw/zinc/47/65/39/509476539.db2.gz RGLMZJFFRCORLN-UHFFFAOYSA-N 1 2 365.231 2.921 20 5 FFBDLO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000179914075 509671398 /nfs/dbraw/zinc/67/13/98/509671398.db2.gz DJZORTXKXBBEJH-GFCCVEGCSA-N 1 2 373.384 2.982 20 5 FFBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000268038707 509729743 /nfs/dbraw/zinc/72/97/43/509729743.db2.gz HAWRICMHLORRPQ-SNVBAGLBSA-N 1 2 370.818 2.540 20 5 FFBDLO C[N@@H+]1CCc2nc(NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)sc2C1 ZINC000264909905 509769206 /nfs/dbraw/zinc/76/92/06/509769206.db2.gz NEPCSSGUYSYQPA-UHFFFAOYSA-N 1 2 357.395 2.773 20 5 FFBDLO C[N@H+]1CCc2nc(NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)sc2C1 ZINC000264909905 509769213 /nfs/dbraw/zinc/76/92/13/509769213.db2.gz NEPCSSGUYSYQPA-UHFFFAOYSA-N 1 2 357.395 2.773 20 5 FFBDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)s1 ZINC000176942263 509778969 /nfs/dbraw/zinc/77/89/69/509778969.db2.gz SYUYTFLDZOSWHY-UHFFFAOYSA-N 1 2 361.423 2.765 20 5 FFBDLO O=C(NC1CC1)c1ccc(NCCCNc2cccc[nH+]2)c([N+](=O)[O-])c1 ZINC000180408495 509909776 /nfs/dbraw/zinc/90/97/76/509909776.db2.gz VCNHGVZKQJWUPB-UHFFFAOYSA-N 1 2 355.398 2.796 20 5 FFBDLO Cc1nnc([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)[nH]1 ZINC000268484165 509961137 /nfs/dbraw/zinc/96/11/37/509961137.db2.gz ONVYRMQONXAACW-OCCSQVGLSA-N 1 2 372.429 2.536 20 5 FFBDLO Cc1nnc([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)[nH]1 ZINC000268484165 509961154 /nfs/dbraw/zinc/96/11/54/509961154.db2.gz ONVYRMQONXAACW-OCCSQVGLSA-N 1 2 372.429 2.536 20 5 FFBDLO Cc1n[nH]c([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000268484165 509961161 /nfs/dbraw/zinc/96/11/61/509961161.db2.gz ONVYRMQONXAACW-OCCSQVGLSA-N 1 2 372.429 2.536 20 5 FFBDLO Cc1n[nH]c([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000268484165 509961170 /nfs/dbraw/zinc/96/11/70/509961170.db2.gz ONVYRMQONXAACW-OCCSQVGLSA-N 1 2 372.429 2.536 20 5 FFBDLO CCC(=O)N1CC[C@@H](Nc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000268502505 509973645 /nfs/dbraw/zinc/97/36/45/509973645.db2.gz AQDLDBXPCIEMLC-CQSZACIVSA-N 1 2 355.398 2.783 20 5 FFBDLO COC(=O)c1cc(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc(C)c1[N+](=O)[O-] ZINC000268502590 509974217 /nfs/dbraw/zinc/97/42/17/509974217.db2.gz SQQZNHJPOVFMOS-LRDDRELGSA-N 1 2 358.398 2.974 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3cccc(O)c3)CC2)c([N+](=O)[O-])c1 ZINC000193641775 510002118 /nfs/dbraw/zinc/00/21/18/510002118.db2.gz KDOOEAVBCASSSL-UHFFFAOYSA-N 1 2 358.354 2.531 20 5 FFBDLO COc1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc([N+](=O)[O-])c1C ZINC000190231209 510017612 /nfs/dbraw/zinc/01/76/12/510017612.db2.gz RYSVYLZEYUEOQZ-UHFFFAOYSA-N 1 2 369.421 2.870 20 5 FFBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000184040125 510100284 /nfs/dbraw/zinc/10/02/84/510100284.db2.gz KKWIVINPTFSILT-LBPRGKRZSA-N 1 2 361.427 2.962 20 5 FFBDLO O=C1CCc2cc([N+](=O)[O-])c(NC3CCN(c4cccc[nH+]4)CC3)cc2N1 ZINC000193965562 510152358 /nfs/dbraw/zinc/15/23/58/510152358.db2.gz SQQNIFRAKMMUMX-UHFFFAOYSA-N 1 2 367.409 2.955 20 5 FFBDLO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000269109965 510240818 /nfs/dbraw/zinc/24/08/18/510240818.db2.gz CQKOHDTYYXZHQQ-UHFFFAOYSA-N 1 2 373.384 2.788 20 5 FFBDLO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000269109965 510240825 /nfs/dbraw/zinc/24/08/25/510240825.db2.gz CQKOHDTYYXZHQQ-UHFFFAOYSA-N 1 2 373.384 2.788 20 5 FFBDLO CCc1nnc(C2CC[NH+](Cc3cc(OC)c(F)cc3[N+](=O)[O-])CC2)[nH]1 ZINC000190669060 510272934 /nfs/dbraw/zinc/27/29/34/510272934.db2.gz SJQOYQZHQCGKIL-UHFFFAOYSA-N 1 2 363.393 2.803 20 5 FFBDLO CCc1n[nH]c(C2CC[NH+](Cc3cc(OC)c(F)cc3[N+](=O)[O-])CC2)n1 ZINC000190669060 510272940 /nfs/dbraw/zinc/27/29/40/510272940.db2.gz SJQOYQZHQCGKIL-UHFFFAOYSA-N 1 2 363.393 2.803 20 5 FFBDLO CCc1nc(C2CC[NH+](Cc3cc(OC)c(F)cc3[N+](=O)[O-])CC2)n[nH]1 ZINC000190669060 510272950 /nfs/dbraw/zinc/27/29/50/510272950.db2.gz SJQOYQZHQCGKIL-UHFFFAOYSA-N 1 2 363.393 2.803 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000246068912 510274800 /nfs/dbraw/zinc/27/48/00/510274800.db2.gz CEXUTQPLLWMSGW-ZBFHGGJFSA-N 1 2 365.455 2.902 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000246068912 510274808 /nfs/dbraw/zinc/27/48/08/510274808.db2.gz CEXUTQPLLWMSGW-ZBFHGGJFSA-N 1 2 365.455 2.902 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c1 ZINC000266002976 510352489 /nfs/dbraw/zinc/35/24/89/510352489.db2.gz MBDSTONMZZIXQQ-IBGZPJMESA-N 1 2 369.421 2.707 20 5 FFBDLO Cc1cc(N2CCC[C@@H](n3cncn3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000266104845 510411368 /nfs/dbraw/zinc/41/13/68/510411368.db2.gz LGIKTKVERHQCAF-MRXNPFEDSA-N 1 2 365.397 2.793 20 5 FFBDLO C[C@]1(c2ccccc2)C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000246293110 510412264 /nfs/dbraw/zinc/41/22/64/510412264.db2.gz BOHMKCDIHHPFNX-UYAOXDASSA-N 1 2 372.421 2.582 20 5 FFBDLO C[C@]1(c2ccccc2)C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000246293110 510412271 /nfs/dbraw/zinc/41/22/71/510412271.db2.gz BOHMKCDIHHPFNX-UYAOXDASSA-N 1 2 372.421 2.582 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246328446 510429512 /nfs/dbraw/zinc/42/95/12/510429512.db2.gz DLIYXHHXNCPSQT-CRAIPNDOSA-N 1 2 363.458 2.535 20 5 FFBDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc([N+](=O)[O-])cc1O ZINC000184697090 510469822 /nfs/dbraw/zinc/46/98/22/510469822.db2.gz FBZYTFDVDPPHIR-UHFFFAOYSA-N 1 2 356.313 2.555 20 5 FFBDLO COc1ccc(S(=O)(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1[N+](=O)[O-] ZINC000178191055 510481407 /nfs/dbraw/zinc/48/14/07/510481407.db2.gz UQJPSMAEBIVGRL-UHFFFAOYSA-N 1 2 374.378 2.794 20 5 FFBDLO CCc1ccc([C@H](COC)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)o1 ZINC000184845410 510542864 /nfs/dbraw/zinc/54/28/64/510542864.db2.gz ZKFPLKBJVJNFHB-SJORKVTESA-N 1 2 373.409 2.833 20 5 FFBDLO CO[C@H](C)c1noc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000175281416 510567542 /nfs/dbraw/zinc/56/75/42/510567542.db2.gz FFFIXPOGBDQPLF-GFCCVEGCSA-N 1 2 362.386 2.729 20 5 FFBDLO O=C(C[N@H+]1CC=C(C(F)(F)F)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000270177414 510703677 /nfs/dbraw/zinc/70/36/77/510703677.db2.gz LJIGICVHZNJCDO-UHFFFAOYSA-N 1 2 355.316 2.678 20 5 FFBDLO O=C(C[N@@H+]1CC=C(C(F)(F)F)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000270177414 510703685 /nfs/dbraw/zinc/70/36/85/510703685.db2.gz LJIGICVHZNJCDO-UHFFFAOYSA-N 1 2 355.316 2.678 20 5 FFBDLO COc1ccc2c(c1)C[N@H+]([C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000178727087 510740537 /nfs/dbraw/zinc/74/05/37/510740537.db2.gz KVUHDXPDKQIJJR-LJQANCHMSA-N 1 2 367.405 2.767 20 5 FFBDLO COc1ccc2c(c1)C[N@@H+]([C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000178727087 510740544 /nfs/dbraw/zinc/74/05/44/510740544.db2.gz KVUHDXPDKQIJJR-LJQANCHMSA-N 1 2 367.405 2.767 20 5 FFBDLO Cc1ccc(NCCCNC(=O)Cc2cn3ccccc3[nH+]2)c([N+](=O)[O-])c1 ZINC000172478411 510748824 /nfs/dbraw/zinc/74/88/24/510748824.db2.gz GXJCAOOMWHKINL-UHFFFAOYSA-N 1 2 367.409 2.712 20 5 FFBDLO O=C(NCc1ccc(Cl)cn1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000182161024 510788571 /nfs/dbraw/zinc/78/85/71/510788571.db2.gz FIXJDGUHRWAYPQ-UHFFFAOYSA-N 1 2 357.757 2.759 20 5 FFBDLO CC(C)N(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000172554721 510788757 /nfs/dbraw/zinc/78/87/57/510788757.db2.gz KEQNJMMVOMSWIM-UHFFFAOYSA-N 1 2 358.398 2.810 20 5 FFBDLO C[C@@H](c1cccc(O)c1)[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182165218 510789906 /nfs/dbraw/zinc/78/99/06/510789906.db2.gz YOYOWOWLWJRWRO-ZDUSSCGKSA-N 1 2 364.423 2.767 20 5 FFBDLO C[C@@H](c1cccc(O)c1)[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182165218 510789911 /nfs/dbraw/zinc/78/99/11/510789911.db2.gz YOYOWOWLWJRWRO-ZDUSSCGKSA-N 1 2 364.423 2.767 20 5 FFBDLO C[C@H](c1nnnn1-c1ccccc1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285358162 510874796 /nfs/dbraw/zinc/87/47/96/510874796.db2.gz QBLPJMONSKQPFQ-CQSZACIVSA-N 1 2 352.398 2.806 20 5 FFBDLO C[C@H](c1nnnn1-c1ccccc1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285358162 510874798 /nfs/dbraw/zinc/87/47/98/510874798.db2.gz QBLPJMONSKQPFQ-CQSZACIVSA-N 1 2 352.398 2.806 20 5 FFBDLO O=C(NCC[N@@H+]1CCCOCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275843716 510918915 /nfs/dbraw/zinc/91/89/15/510918915.db2.gz MDHIJEWICQRZIR-UHFFFAOYSA-N 1 2 365.433 2.546 20 5 FFBDLO O=C(NCC[N@H+]1CCCOCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275843716 510918919 /nfs/dbraw/zinc/91/89/19/510918919.db2.gz MDHIJEWICQRZIR-UHFFFAOYSA-N 1 2 365.433 2.546 20 5 FFBDLO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2c(F)cncc2F)c([N+](=O)[O-])c1 ZINC000285477753 510921957 /nfs/dbraw/zinc/92/19/57/510921957.db2.gz BOTHFGTWULPKKA-VIFPVBQESA-N 1 2 366.324 2.566 20 5 FFBDLO C[C@@H]([NH2+][C@@H](C)c1c(F)cncc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000285512010 510937265 /nfs/dbraw/zinc/93/72/65/510937265.db2.gz DLNAUCAKZNXMIN-VHSXEESVSA-N 1 2 350.325 2.946 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](CCNC(C)=O)Cc1ccsc1 ZINC000282592875 511038222 /nfs/dbraw/zinc/03/82/22/511038222.db2.gz XDGFJHCVXCRJKY-UHFFFAOYSA-N 1 2 363.439 2.803 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](CCNC(C)=O)Cc1ccsc1 ZINC000282592875 511038228 /nfs/dbraw/zinc/03/82/28/511038228.db2.gz XDGFJHCVXCRJKY-UHFFFAOYSA-N 1 2 363.439 2.803 20 5 FFBDLO COc1cc(C[N@H+](C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])ccc1O ZINC000271034468 511064933 /nfs/dbraw/zinc/06/49/33/511064933.db2.gz ITWUFGSLFMZEFG-UHFFFAOYSA-N 1 2 362.382 2.958 20 5 FFBDLO COc1cc(C[N@@H+](C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])ccc1O ZINC000271034468 511064935 /nfs/dbraw/zinc/06/49/35/511064935.db2.gz ITWUFGSLFMZEFG-UHFFFAOYSA-N 1 2 362.382 2.958 20 5 FFBDLO Cc1c(NC(=O)N[C@@H](c2[nH+]ccn2C)C(C)(C)CO)cccc1[N+](=O)[O-] ZINC000297779742 511066442 /nfs/dbraw/zinc/06/64/42/511066442.db2.gz MOEBJZMXDDLKKO-AWEZNQCLSA-N 1 2 361.402 2.518 20 5 FFBDLO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282690316 511074193 /nfs/dbraw/zinc/07/41/93/511074193.db2.gz DWEKDKHKZBSJPR-CYBMUJFWSA-N 1 2 370.409 2.853 20 5 FFBDLO CN(C)c1cc(F)c(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000294792853 511179381 /nfs/dbraw/zinc/17/93/81/511179381.db2.gz DJVZWDLLSSVPRA-LLVKDONJSA-N 1 2 361.377 2.543 20 5 FFBDLO C[C@H](CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000279696430 511180227 /nfs/dbraw/zinc/18/02/27/511180227.db2.gz VFUNJCGRRRRZDO-SNVBAGLBSA-N 1 2 354.769 2.579 20 5 FFBDLO C[C@@H](CCO)C1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCC1 ZINC000271842890 511344117 /nfs/dbraw/zinc/34/41/17/511344117.db2.gz IHOKLRZOSSNSPD-AWEZNQCLSA-N 1 2 372.425 2.699 20 5 FFBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000365346813 511395235 /nfs/dbraw/zinc/39/52/35/511395235.db2.gz RDIXGMDZPWNFIT-UHFFFAOYSA-N 1 2 357.414 2.588 20 5 FFBDLO C[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC[N@@H+](C2CC2)C1 ZINC000295532757 511436818 /nfs/dbraw/zinc/43/68/18/511436818.db2.gz JTDXJORELXNKSC-ZDUSSCGKSA-N 1 2 369.425 2.541 20 5 FFBDLO C[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC[N@H+](C2CC2)C1 ZINC000295532757 511436825 /nfs/dbraw/zinc/43/68/25/511436825.db2.gz JTDXJORELXNKSC-ZDUSSCGKSA-N 1 2 369.425 2.541 20 5 FFBDLO COc1cc(-c2nc([C@@H]3C[N@@H+](C(C)C)CCO3)no2)c([N+](=O)[O-])cc1F ZINC000295807922 511521836 /nfs/dbraw/zinc/52/18/36/511521836.db2.gz FMDNBDHOZAHGBF-AWEZNQCLSA-N 1 2 366.349 2.574 20 5 FFBDLO COc1cc(-c2nc([C@@H]3C[N@H+](C(C)C)CCO3)no2)c([N+](=O)[O-])cc1F ZINC000295807922 511521841 /nfs/dbraw/zinc/52/18/41/511521841.db2.gz FMDNBDHOZAHGBF-AWEZNQCLSA-N 1 2 366.349 2.574 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)cc1C ZINC000295928421 511558246 /nfs/dbraw/zinc/55/82/46/511558246.db2.gz IGTBZHUUFCSDSR-CQSZACIVSA-N 1 2 352.416 2.610 20 5 FFBDLO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280897549 511646004 /nfs/dbraw/zinc/64/60/04/511646004.db2.gz DNSFFXUPGKWUFB-INIZCTEOSA-N 1 2 369.421 2.895 20 5 FFBDLO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280897549 511646009 /nfs/dbraw/zinc/64/60/09/511646009.db2.gz DNSFFXUPGKWUFB-INIZCTEOSA-N 1 2 369.421 2.895 20 5 FFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000280951465 511663880 /nfs/dbraw/zinc/66/38/80/511663880.db2.gz IVEPHAMBGSWYJI-HOCLYGCPSA-N 1 2 370.409 2.608 20 5 FFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000280951465 511663884 /nfs/dbraw/zinc/66/38/84/511663884.db2.gz IVEPHAMBGSWYJI-HOCLYGCPSA-N 1 2 370.409 2.608 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000365835611 511678161 /nfs/dbraw/zinc/67/81/61/511678161.db2.gz GPDHPDCHKQOWQZ-UHFFFAOYSA-N 1 2 358.398 2.827 20 5 FFBDLO CCc1cc(NC[C@@H](CO)[C@@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000281007295 511686359 /nfs/dbraw/zinc/68/63/59/511686359.db2.gz OMQMAJJCCMIOOX-CABCVRRESA-N 1 2 372.425 2.671 20 5 FFBDLO C[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2)nc1)c1ccc([N+](=O)[O-])cc1F ZINC000363785692 511767391 /nfs/dbraw/zinc/76/73/91/511767391.db2.gz ZMRAISPXEXQVQV-GFCCVEGCSA-N 1 2 369.356 2.735 20 5 FFBDLO COc1ccc(OCC[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)c([N+](=O)[O-])c1 ZINC000366207649 511902572 /nfs/dbraw/zinc/90/25/72/511902572.db2.gz CPANNZLRJCIMHO-IBGZPJMESA-N 1 2 374.393 2.761 20 5 FFBDLO COc1ccc(OCC[N@H+]2CCO[C@H](c3cccc(O)c3)C2)c([N+](=O)[O-])c1 ZINC000366207649 511902578 /nfs/dbraw/zinc/90/25/78/511902578.db2.gz CPANNZLRJCIMHO-IBGZPJMESA-N 1 2 374.393 2.761 20 5 FFBDLO Cc1nc([N+](=O)[O-])c(-c2noc(-c3cccc(-n4cc[nH+]c4)c3)n2)n1C ZINC000350930244 511911215 /nfs/dbraw/zinc/91/12/15/511911215.db2.gz UIFQFVZCZWMTHA-UHFFFAOYSA-N 1 2 351.326 2.539 20 5 FFBDLO C[N@@H+]1CC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000297089821 512015894 /nfs/dbraw/zinc/01/58/94/512015894.db2.gz KMFIMGJYAIGTGR-GDBMZVCRSA-N 1 2 355.385 2.662 20 5 FFBDLO C[N@H+]1CC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000297089821 512015899 /nfs/dbraw/zinc/01/58/99/512015899.db2.gz KMFIMGJYAIGTGR-GDBMZVCRSA-N 1 2 355.385 2.662 20 5 FFBDLO Cc1nnc([C@@H]2CCCC[N@@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000411399935 512617679 /nfs/dbraw/zinc/61/76/79/512617679.db2.gz SHHJFFBDKUNVSA-HNNXBMFYSA-N 1 2 358.402 2.577 20 5 FFBDLO Cc1nnc([C@@H]2CCCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000411399935 512617682 /nfs/dbraw/zinc/61/76/82/512617682.db2.gz SHHJFFBDKUNVSA-HNNXBMFYSA-N 1 2 358.402 2.577 20 5 FFBDLO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1OC ZINC000370244591 512839873 /nfs/dbraw/zinc/83/98/73/512839873.db2.gz QQLHJRSXRQVCGI-UHFFFAOYSA-N 1 2 374.397 2.745 20 5 FFBDLO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1OC ZINC000370244591 512839875 /nfs/dbraw/zinc/83/98/75/512839875.db2.gz QQLHJRSXRQVCGI-UHFFFAOYSA-N 1 2 374.397 2.745 20 5 FFBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380478439 512872841 /nfs/dbraw/zinc/87/28/41/512872841.db2.gz TWPDZRPTKUPKFX-PBHICJAKSA-N 1 2 369.421 2.941 20 5 FFBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000380478439 512872847 /nfs/dbraw/zinc/87/28/47/512872847.db2.gz TWPDZRPTKUPKFX-PBHICJAKSA-N 1 2 369.421 2.941 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000372453327 512883584 /nfs/dbraw/zinc/88/35/84/512883584.db2.gz CGDLZHRCVVRHHT-GFCCVEGCSA-N 1 2 372.425 2.871 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000372453327 512883589 /nfs/dbraw/zinc/88/35/89/512883589.db2.gz CGDLZHRCVVRHHT-GFCCVEGCSA-N 1 2 372.425 2.871 20 5 FFBDLO C[C@@H]([NH2+][C@@H](C)c1csnn1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000412032603 512919978 /nfs/dbraw/zinc/91/99/78/512919978.db2.gz DOGCNWQCGQVWFM-JGVFFNPUSA-N 1 2 355.807 2.778 20 5 FFBDLO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000398049524 512953308 /nfs/dbraw/zinc/95/33/08/512953308.db2.gz CRVUMRCUPZTSFS-WMLDXEAASA-N 1 2 369.421 2.941 20 5 FFBDLO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000398049524 512953313 /nfs/dbraw/zinc/95/33/13/512953313.db2.gz CRVUMRCUPZTSFS-WMLDXEAASA-N 1 2 369.421 2.941 20 5 FFBDLO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCn2c[nH+]cc2C1 ZINC000368674616 513055835 /nfs/dbraw/zinc/05/58/35/513055835.db2.gz BCMQNWGJHXDDGE-UHFFFAOYSA-N 1 2 366.175 2.602 20 5 FFBDLO C[N@@H+]1CCc2c(cccc2NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000368794796 513106371 /nfs/dbraw/zinc/10/63/71/513106371.db2.gz KXGYKBLYIRXCCR-UHFFFAOYSA-N 1 2 365.386 2.523 20 5 FFBDLO C[N@H+]1CCc2c(cccc2NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000368794796 513106375 /nfs/dbraw/zinc/10/63/75/513106375.db2.gz KXGYKBLYIRXCCR-UHFFFAOYSA-N 1 2 365.386 2.523 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@@H]1[C@H]1CCCC1=O ZINC000450478633 513213462 /nfs/dbraw/zinc/21/34/62/513213462.db2.gz HXFWWKOUGDYIHF-HUUCEWRRSA-N 1 2 368.393 2.754 20 5 FFBDLO CN(C)c1nc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)[nH+]c2ccccc21 ZINC000450481659 513215263 /nfs/dbraw/zinc/21/52/63/513215263.db2.gz DZMXGRDNTJKKID-UHFFFAOYSA-N 1 2 367.413 2.642 20 5 FFBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000429199671 513303890 /nfs/dbraw/zinc/30/38/90/513303890.db2.gz PLCBYAOGBZHRRE-CQSZACIVSA-N 1 2 357.366 2.743 20 5 FFBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1ccn(CCc3ccccc3)n1)CC2 ZINC000450696094 513306872 /nfs/dbraw/zinc/30/68/72/513306872.db2.gz RVSAZQKPPFVLOW-UHFFFAOYSA-N 1 2 363.421 2.987 20 5 FFBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1ccn(CCc3ccccc3)n1)CC2 ZINC000450696094 513306873 /nfs/dbraw/zinc/30/68/73/513306873.db2.gz RVSAZQKPPFVLOW-UHFFFAOYSA-N 1 2 363.421 2.987 20 5 FFBDLO CC(C)c1ncc(C[N@H+](C)[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cn1 ZINC000440471844 513327254 /nfs/dbraw/zinc/32/72/54/513327254.db2.gz VTDKBKHUEZCKFX-KRWDZBQOSA-N 1 2 369.425 2.746 20 5 FFBDLO CC(C)c1ncc(C[N@@H+](C)[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cn1 ZINC000440471844 513327259 /nfs/dbraw/zinc/32/72/59/513327259.db2.gz VTDKBKHUEZCKFX-KRWDZBQOSA-N 1 2 369.425 2.746 20 5 FFBDLO O=C(c1cccc(O)c1[N+](=O)[O-])N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425013543 513369461 /nfs/dbraw/zinc/36/94/61/513369461.db2.gz RFVXXAHSHLVHIE-DOTOQJQBSA-N 1 2 367.405 2.647 20 5 FFBDLO O=C(c1cccc(O)c1[N+](=O)[O-])N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425013543 513369466 /nfs/dbraw/zinc/36/94/66/513369466.db2.gz RFVXXAHSHLVHIE-DOTOQJQBSA-N 1 2 367.405 2.647 20 5 FFBDLO O=[N+]([O-])c1ccc2ccnc(NCc3ccc(N4CCOCC4)[nH+]c3)c2c1 ZINC000413032096 513395976 /nfs/dbraw/zinc/39/59/76/513395976.db2.gz HDZHUWFNTKWTAV-UHFFFAOYSA-N 1 2 365.393 2.987 20 5 FFBDLO CC(=O)NCC1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425407170 513548684 /nfs/dbraw/zinc/54/86/84/513548684.db2.gz OGVAZDVZMFRFIO-UHFFFAOYSA-N 1 2 370.247 2.705 20 5 FFBDLO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425418144 513555656 /nfs/dbraw/zinc/55/56/56/513555656.db2.gz IQMLXUFLRIYMAZ-LBPRGKRZSA-N 1 2 357.204 2.885 20 5 FFBDLO COC(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425418144 513555660 /nfs/dbraw/zinc/55/56/60/513555660.db2.gz IQMLXUFLRIYMAZ-LBPRGKRZSA-N 1 2 357.204 2.885 20 5 FFBDLO C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000425438506 513566042 /nfs/dbraw/zinc/56/60/42/513566042.db2.gz AQRKCDKBWWMDLO-SNVBAGLBSA-N 1 2 357.126 2.712 20 5 FFBDLO C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000425438506 513566046 /nfs/dbraw/zinc/56/60/46/513566046.db2.gz AQRKCDKBWWMDLO-SNVBAGLBSA-N 1 2 357.126 2.712 20 5 FFBDLO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H](CO)c1ccccc1 ZINC000436261636 513812487 /nfs/dbraw/zinc/81/24/87/513812487.db2.gz PUOBILJBKPQDQA-MRXNPFEDSA-N 1 2 363.801 2.852 20 5 FFBDLO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H](CO)c1ccccc1 ZINC000436261636 513812495 /nfs/dbraw/zinc/81/24/95/513812495.db2.gz PUOBILJBKPQDQA-MRXNPFEDSA-N 1 2 363.801 2.852 20 5 FFBDLO CCOC(=O)[C@H](C)CNc1cc(CC)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000426416867 513934767 /nfs/dbraw/zinc/93/47/67/513934767.db2.gz MQFYQOSYKXXZRQ-GFCCVEGCSA-N 1 2 358.398 2.647 20 5 FFBDLO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436876005 514018134 /nfs/dbraw/zinc/01/81/34/514018134.db2.gz ZWDLVRQTOBVESC-RDTXWAMCSA-N 1 2 369.421 2.941 20 5 FFBDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436876005 514018142 /nfs/dbraw/zinc/01/81/42/514018142.db2.gz ZWDLVRQTOBVESC-RDTXWAMCSA-N 1 2 369.421 2.941 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000426894809 514069225 /nfs/dbraw/zinc/06/92/25/514069225.db2.gz DHIIVFSLQVKJKK-CQSZACIVSA-N 1 2 370.409 2.517 20 5 FFBDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444107329 514124477 /nfs/dbraw/zinc/12/44/77/514124477.db2.gz IZXLHAPOKPBDBT-UHFFFAOYSA-N 1 2 368.343 2.921 20 5 FFBDLO CCOc1cc(N2CC[NH+](Cc3cnc(CC)nc3)CC2)ccc1[N+](=O)[O-] ZINC000414450905 514124624 /nfs/dbraw/zinc/12/46/24/514124624.db2.gz ZAMBGQPWDMAEID-UHFFFAOYSA-N 1 2 371.441 2.668 20 5 FFBDLO O=C(NCC(F)F)[C@@H]1CCCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449600376 514267681 /nfs/dbraw/zinc/26/76/81/514267681.db2.gz JQZLSFPEVNEQST-PKYBCLHXSA-N 1 2 353.369 2.844 20 5 FFBDLO O=C(NCC(F)F)[C@@H]1CCCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449600376 514267691 /nfs/dbraw/zinc/26/76/91/514267691.db2.gz JQZLSFPEVNEQST-PKYBCLHXSA-N 1 2 353.369 2.844 20 5 FFBDLO CCn1cc[nH+]c1CNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000452570901 514406317 /nfs/dbraw/zinc/40/63/17/514406317.db2.gz BDXGBJHVALNPKC-CQSZACIVSA-N 1 2 371.441 2.978 20 5 FFBDLO CCn1cc[nH+]c1CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000452578127 514409701 /nfs/dbraw/zinc/40/97/01/514409701.db2.gz YYBKFDFHVCJRTA-SNVBAGLBSA-N 1 2 352.778 2.548 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000452679345 514453020 /nfs/dbraw/zinc/45/30/20/514453020.db2.gz JXFNEEZDSZYGOY-DAYGRLMNSA-N 1 2 370.409 2.546 20 5 FFBDLO NC(=O)c1cccc(NCc2ccc(N3CCCCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000439098792 514492843 /nfs/dbraw/zinc/49/28/43/514492843.db2.gz MGUJABORFHCBGM-UHFFFAOYSA-N 1 2 355.398 2.691 20 5 FFBDLO Cc1ccc(NC(=O)N2CCN(c3c[nH+]ccc3C)CC2)cc1[N+](=O)[O-] ZINC000439320713 514530919 /nfs/dbraw/zinc/53/09/19/514530919.db2.gz BVKOUDFTRQJTNT-UHFFFAOYSA-N 1 2 355.398 2.961 20 5 FFBDLO O=C(N[C@@H](CCO)C1CCCCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450190257 514531815 /nfs/dbraw/zinc/53/18/15/514531815.db2.gz BMBCTOJXHIGUES-INIZCTEOSA-N 1 2 372.425 2.842 20 5 FFBDLO Cc1ccc(C[N@@H+]2CCN(C(=O)c3cscn3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000453570805 514692393 /nfs/dbraw/zinc/69/23/93/514692393.db2.gz DQRVCRHLQPVEAA-ZDUSSCGKSA-N 1 2 360.439 2.706 20 5 FFBDLO Cc1ccc(C[N@H+]2CCN(C(=O)c3cscn3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000453570805 514692403 /nfs/dbraw/zinc/69/24/03/514692403.db2.gz DQRVCRHLQPVEAA-ZDUSSCGKSA-N 1 2 360.439 2.706 20 5 FFBDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000470962832 514695294 /nfs/dbraw/zinc/69/52/94/514695294.db2.gz YJDLRVRYLICZFT-ZWNOBZJWSA-N 1 2 357.332 2.757 20 5 FFBDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000470962832 514695305 /nfs/dbraw/zinc/69/53/05/514695305.db2.gz YJDLRVRYLICZFT-ZWNOBZJWSA-N 1 2 357.332 2.757 20 5 FFBDLO COC(=O)c1ccc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000453583525 514700996 /nfs/dbraw/zinc/70/09/96/514700996.db2.gz KAAMEXHAIQSURC-UHFFFAOYSA-N 1 2 361.423 2.765 20 5 FFBDLO COc1ccc(CN2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])CC2=O)cc1 ZINC000466910920 514823106 /nfs/dbraw/zinc/82/31/06/514823106.db2.gz ZFKLDCNWOVNSDC-UHFFFAOYSA-N 1 2 369.421 2.838 20 5 FFBDLO COc1ccc(CN2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])CC2=O)cc1 ZINC000466910920 514823115 /nfs/dbraw/zinc/82/31/15/514823115.db2.gz ZFKLDCNWOVNSDC-UHFFFAOYSA-N 1 2 369.421 2.838 20 5 FFBDLO CSCc1cnc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000508682002 514863215 /nfs/dbraw/zinc/86/32/15/514863215.db2.gz VJUJRQIBGUBTGW-NSHDSACASA-N 1 2 365.484 2.996 20 5 FFBDLO CSCc1cnc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000508682002 514863225 /nfs/dbraw/zinc/86/32/25/514863225.db2.gz VJUJRQIBGUBTGW-NSHDSACASA-N 1 2 365.484 2.996 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)ccc1Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000471546108 514923687 /nfs/dbraw/zinc/92/36/87/514923687.db2.gz IHAOLYFVLRXXLG-UHFFFAOYSA-N 1 2 351.794 2.521 20 5 FFBDLO Cn1cc[nH+]c1CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000485149684 514935907 /nfs/dbraw/zinc/93/59/07/514935907.db2.gz MEPGXYNUUCOTEH-UHFFFAOYSA-N 1 2 365.393 2.870 20 5 FFBDLO O=[N+]([O-])c1cccc2ncnc(NCc3cn4cc(Cl)ccc4[nH+]3)c21 ZINC000509039122 514998874 /nfs/dbraw/zinc/99/88/74/514998874.db2.gz JIONRYGNPUBXJP-UHFFFAOYSA-N 1 2 354.757 2.873 20 5 FFBDLO O=[N+]([O-])c1cccc(S(=O)(=O)Cc2cn3cc(Cl)ccc3[nH+]2)c1 ZINC000509145747 515044076 /nfs/dbraw/zinc/04/40/76/515044076.db2.gz GXPLLQSKRASQII-UHFFFAOYSA-N 1 2 351.771 2.870 20 5 FFBDLO Cc1cc(N2CCC(O)(C(F)F)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000490003964 515064904 /nfs/dbraw/zinc/06/49/04/515064904.db2.gz HBVVKDUNQVVVIY-UHFFFAOYSA-N 1 2 364.352 2.957 20 5 FFBDLO Cc1cc(C)c(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])c(=O)[nH]1 ZINC000472026302 515089437 /nfs/dbraw/zinc/08/94/37/515089437.db2.gz GMVDHIJVGMWJFY-UHFFFAOYSA-N 1 2 372.425 2.757 20 5 FFBDLO O=C(C1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1)N1CCCC1 ZINC000509327968 515126314 /nfs/dbraw/zinc/12/63/14/515126314.db2.gz OEKVWJIXGMBOIQ-UHFFFAOYSA-N 1 2 353.369 2.707 20 5 FFBDLO O=C(C1CCCCC1)N1CC[NH+](CCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000498934192 515129627 /nfs/dbraw/zinc/12/96/27/515129627.db2.gz QLPMKZHZRRLECI-UHFFFAOYSA-N 1 2 360.458 2.731 20 5 FFBDLO CO[C@@H]1C[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C12CCC2 ZINC000456614608 515288762 /nfs/dbraw/zinc/28/87/62/515288762.db2.gz GMMCFHQCNRDOAQ-DLBZAZTESA-N 1 2 370.409 2.810 20 5 FFBDLO O=C(NCc1cccc(-c2[nH]cc[nH+]2)c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000490738188 515295150 /nfs/dbraw/zinc/29/51/50/515295150.db2.gz ZSJPTMXMZOMWIX-UHFFFAOYSA-N 1 2 366.333 2.644 20 5 FFBDLO COC(=O)c1ccc(OCCc2[nH+]c3ccccc3n2C)c([N+](=O)[O-])c1 ZINC000509952689 515379806 /nfs/dbraw/zinc/37/98/06/515379806.db2.gz OSMRYCOAJNGPHN-UHFFFAOYSA-N 1 2 355.350 2.890 20 5 FFBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454341069 515414675 /nfs/dbraw/zinc/41/46/75/515414675.db2.gz OFJBHNGEXGGWJE-GDBMZVCRSA-N 1 2 357.414 2.769 20 5 FFBDLO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1cc(-n2cc[nH+]c2)ccn1 ZINC000468882220 515564032 /nfs/dbraw/zinc/56/40/32/515564032.db2.gz GOYCDUVKQMNSEB-UHFFFAOYSA-N 1 2 357.757 2.759 20 5 FFBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000505551261 515582364 /nfs/dbraw/zinc/58/23/64/515582364.db2.gz RTSYNCUQIYIBGX-HNNXBMFYSA-N 1 2 352.350 2.523 20 5 FFBDLO Cc1cc(N2C[C@@H](C)[S@](=O)[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000477801806 515598161 /nfs/dbraw/zinc/59/81/61/515598161.db2.gz RREBKZMEXJHFDR-JMZBPOJHSA-N 1 2 360.439 2.706 20 5 FFBDLO COc1cc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc([N+](=O)[O-])c1C ZINC000477822448 515605004 /nfs/dbraw/zinc/60/50/04/515605004.db2.gz HZDWSJHJLRQBOS-HNNXBMFYSA-N 1 2 357.366 2.600 20 5 FFBDLO Cc1ccsc1[C@H](CO)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000494670643 515918093 /nfs/dbraw/zinc/91/80/93/515918093.db2.gz GGFPGKXAJQYLLQ-ZDUSSCGKSA-N 1 2 360.395 2.838 20 5 FFBDLO Cc1nc2sccn2c1C[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000474274891 515966355 /nfs/dbraw/zinc/96/63/55/515966355.db2.gz GKDHDOHTQVNGED-UHFFFAOYSA-N 1 2 373.438 2.991 20 5 FFBDLO Cc1nc2sccn2c1C[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000474274891 515966365 /nfs/dbraw/zinc/96/63/65/515966365.db2.gz GKDHDOHTQVNGED-UHFFFAOYSA-N 1 2 373.438 2.991 20 5 FFBDLO Cc1c(CNC(=O)NCc2[nH+]ccn2CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000478889198 515997353 /nfs/dbraw/zinc/99/73/53/515997353.db2.gz ZZSDODZNBWIRIV-UHFFFAOYSA-N 1 2 371.319 2.661 20 5 FFBDLO C[C@H]1C[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C[C@H](CO)O1 ZINC000470153402 516150195 /nfs/dbraw/zinc/15/01/95/516150195.db2.gz YLCBWFKFSGQZLS-MAUKXSAKSA-N 1 2 371.437 2.944 20 5 FFBDLO C[C@H]1C[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C[C@H](CO)O1 ZINC000470153402 516150207 /nfs/dbraw/zinc/15/02/07/516150207.db2.gz YLCBWFKFSGQZLS-MAUKXSAKSA-N 1 2 371.437 2.944 20 5 FFBDLO CC[C@@H](C)NC(=O)CN1CC[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000470179415 516166534 /nfs/dbraw/zinc/16/65/34/516166534.db2.gz XGNMNXWPVPDNIW-TXQCQQFXSA-N 1 2 374.485 2.530 20 5 FFBDLO C[C@H](c1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000497507188 516324546 /nfs/dbraw/zinc/32/45/46/516324546.db2.gz IIGOXCIRBVCUGZ-CYBMUJFWSA-N 1 2 371.393 2.946 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000561114822 516388774 /nfs/dbraw/zinc/38/87/74/516388774.db2.gz XNISDOQDQAHYID-QGZVFWFLSA-N 1 2 353.382 2.620 20 5 FFBDLO COc1cc[nH+]cc1NC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 ZINC000540547461 516610960 /nfs/dbraw/zinc/61/09/60/516610960.db2.gz UNHHDVZVBPCODM-UHFFFAOYSA-N 1 2 372.366 2.520 20 5 FFBDLO CCOc1cc(N2CC[NH+](Cc3cnccc3OC)CC2)ccc1[N+](=O)[O-] ZINC000561876827 516810102 /nfs/dbraw/zinc/81/01/02/516810102.db2.gz VWMZWYZWBRIQMX-UHFFFAOYSA-N 1 2 372.425 2.719 20 5 FFBDLO O=C1[C@@H]([N@@H+]2CCO[C@H](C3CCCCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000544565695 516817134 /nfs/dbraw/zinc/81/71/34/516817134.db2.gz YQMWWYYMJLVRFD-OALUTQOASA-N 1 2 373.453 2.981 20 5 FFBDLO O=C1[C@@H]([N@H+]2CCO[C@H](C3CCCCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000544565695 516817143 /nfs/dbraw/zinc/81/71/43/516817143.db2.gz YQMWWYYMJLVRFD-OALUTQOASA-N 1 2 373.453 2.981 20 5 FFBDLO CCc1c[nH+]ccc1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000532311733 516902943 /nfs/dbraw/zinc/90/29/43/516902943.db2.gz QKWSUILPVINMEP-UHFFFAOYSA-N 1 2 350.172 2.989 20 5 FFBDLO COc1cc2cc[nH+]cc2cc1OC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000562210651 516959342 /nfs/dbraw/zinc/95/93/42/516959342.db2.gz NITLUSXSNBPUOC-INIZCTEOSA-N 1 2 370.361 2.970 20 5 FFBDLO COc1cc(OCC(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)ccc1[N+](=O)[O-] ZINC000532440042 516981780 /nfs/dbraw/zinc/98/17/80/516981780.db2.gz DIRFDJAIXUXGTE-UHFFFAOYSA-N 1 2 356.338 2.806 20 5 FFBDLO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3cc(O)ccc3[N+](=O)[O-])cccc21 ZINC000552215362 517145890 /nfs/dbraw/zinc/14/58/90/517145890.db2.gz UPUQYXDLXDEIKO-OAHLLOKOSA-N 1 2 357.366 2.938 20 5 FFBDLO Cc1nnc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000541683864 517171195 /nfs/dbraw/zinc/17/11/95/517171195.db2.gz BUCRQZYIAIPCCA-YUMQZZPRSA-N 1 2 353.766 2.617 20 5 FFBDLO Cc1nnc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000541683861 517171556 /nfs/dbraw/zinc/17/15/56/517171556.db2.gz BUCRQZYIAIPCCA-HTQZYQBOSA-N 1 2 353.766 2.617 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2C[C@@H](C)S[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000533290903 517389156 /nfs/dbraw/zinc/38/91/56/517389156.db2.gz YLJUUZAXOKVMSM-GRYCIOLGSA-N 1 2 353.444 2.756 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](C)S[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000533290903 517389168 /nfs/dbraw/zinc/38/91/68/517389168.db2.gz YLJUUZAXOKVMSM-GRYCIOLGSA-N 1 2 353.444 2.756 20 5 FFBDLO C[N@H+](Cc1cc(Cl)cc(S(N)(=O)=O)c1)Cc1ccccc1[N+](=O)[O-] ZINC000559778097 517423770 /nfs/dbraw/zinc/42/37/70/517423770.db2.gz ZBJOYNVBVJCIMW-UHFFFAOYSA-N 1 2 369.830 2.528 20 5 FFBDLO C[N@@H+](Cc1cc(Cl)cc(S(N)(=O)=O)c1)Cc1ccccc1[N+](=O)[O-] ZINC000559778097 517423779 /nfs/dbraw/zinc/42/37/79/517423779.db2.gz ZBJOYNVBVJCIMW-UHFFFAOYSA-N 1 2 369.830 2.528 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C1CC1 ZINC000552932179 517447227 /nfs/dbraw/zinc/44/72/27/517447227.db2.gz QBYNWJRIXKXETJ-ZDUSSCGKSA-N 1 2 366.324 2.811 20 5 FFBDLO CCc1[nH+]c2cc(CNC(=O)c3[nH]nc(C)c3[N+](=O)[O-])ccc2n1C1CC1 ZINC000549533933 517606236 /nfs/dbraw/zinc/60/62/36/517606236.db2.gz HIPURPXHQVOSQP-UHFFFAOYSA-N 1 2 368.397 2.803 20 5 FFBDLO CC(C)[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@@H](O)COc1ccccc1 ZINC000549614528 517637608 /nfs/dbraw/zinc/63/76/08/517637608.db2.gz GHBXTTVOPKNQLC-QGZVFWFLSA-N 1 2 360.410 2.951 20 5 FFBDLO CC(C)[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@@H](O)COc1ccccc1 ZINC000549614528 517637617 /nfs/dbraw/zinc/63/76/17/517637617.db2.gz GHBXTTVOPKNQLC-QGZVFWFLSA-N 1 2 360.410 2.951 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H](c2ccncc2)C1 ZINC000556954687 517772499 /nfs/dbraw/zinc/77/24/99/517772499.db2.gz YGBDAQPYRMLGHT-INIZCTEOSA-N 1 2 363.377 2.805 20 5 FFBDLO Cc1noc(C)c1C[NH+]1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000516863878 517879902 /nfs/dbraw/zinc/87/99/02/517879902.db2.gz HGZFWHQKMBRSDC-UHFFFAOYSA-N 1 2 371.441 2.796 20 5 FFBDLO Cc1cnc(CCNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)nc1 ZINC000534628675 517971218 /nfs/dbraw/zinc/97/12/18/517971218.db2.gz MVPGJDAFPMRRJU-UHFFFAOYSA-N 1 2 350.382 2.535 20 5 FFBDLO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H](C)CS(C)(=O)=O ZINC000517018133 517979489 /nfs/dbraw/zinc/97/94/89/517979489.db2.gz OJINPCOWUZMGQU-SNVBAGLBSA-N 1 2 368.377 2.869 20 5 FFBDLO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H](C)CS(C)(=O)=O ZINC000517018133 517979496 /nfs/dbraw/zinc/97/94/96/517979496.db2.gz OJINPCOWUZMGQU-SNVBAGLBSA-N 1 2 368.377 2.869 20 5 FFBDLO CO[C@@H]1[C@@H](C)[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1(C)C ZINC000539452112 518056924 /nfs/dbraw/zinc/05/69/24/518056924.db2.gz OVRXKQVCWOBOAC-IUIKQTSFSA-N 1 2 358.398 2.570 20 5 FFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(Nc2ccccn2)CC1 ZINC000534864103 518061539 /nfs/dbraw/zinc/06/15/39/518061539.db2.gz VGJQJRKYQGIHNS-CQSZACIVSA-N 1 2 369.425 2.893 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](Cc1ccccc1)[C@]1(CO)CCOC1 ZINC000585718558 518574403 /nfs/dbraw/zinc/57/44/03/518574403.db2.gz LQIHEYFHNYVNMV-FQEVSTJZSA-N 1 2 372.421 2.757 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](Cc1ccccc1)[C@]1(CO)CCOC1 ZINC000585718558 518574406 /nfs/dbraw/zinc/57/44/06/518574406.db2.gz LQIHEYFHNYVNMV-FQEVSTJZSA-N 1 2 372.421 2.757 20 5 FFBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000564717124 518580804 /nfs/dbraw/zinc/58/08/04/518580804.db2.gz BPESQRCUFLJDIU-JKSUJKDBSA-N 1 2 368.437 2.999 20 5 FFBDLO O=C(Cc1cccc([N+](=O)[O-])c1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000582208154 518637298 /nfs/dbraw/zinc/63/72/98/518637298.db2.gz JQRXDURYCHHYOZ-UHFFFAOYSA-N 1 2 350.378 2.699 20 5 FFBDLO C[C@@H](C(=O)NCc1[nH+]ccn1CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000573622444 518756587 /nfs/dbraw/zinc/75/65/87/518756587.db2.gz GYLUDACJBYIKSP-SNVBAGLBSA-N 1 2 356.304 2.774 20 5 FFBDLO O=C(NCc1cccc([N+](=O)[O-])c1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000568311213 518973405 /nfs/dbraw/zinc/97/34/05/518973405.db2.gz CZSPKFIGNZAKDE-UHFFFAOYSA-N 1 2 352.354 2.556 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000589300966 518975860 /nfs/dbraw/zinc/97/58/60/518975860.db2.gz XASBMTTWPFHSJW-KBRIMQKVSA-N 1 2 359.426 2.955 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000589300966 518975868 /nfs/dbraw/zinc/97/58/68/518975868.db2.gz XASBMTTWPFHSJW-KBRIMQKVSA-N 1 2 359.426 2.955 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000574118794 518994908 /nfs/dbraw/zinc/99/49/08/518994908.db2.gz FYECFKGDYBRWSB-ZDUSSCGKSA-N 1 2 352.416 2.610 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)c1 ZINC000589509463 519021155 /nfs/dbraw/zinc/02/11/55/519021155.db2.gz NSHNOJCHXLKSLA-GOSISDBHSA-N 1 2 370.405 2.825 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCO[C@H](Cc3ccccc3)C2)c1 ZINC000589509463 519021158 /nfs/dbraw/zinc/02/11/58/519021158.db2.gz NSHNOJCHXLKSLA-GOSISDBHSA-N 1 2 370.405 2.825 20 5 FFBDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000583569798 519316632 /nfs/dbraw/zinc/31/66/32/519316632.db2.gz NYTKRGSQURWGRD-UHFFFAOYSA-N 1 2 365.393 2.575 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](c3cc(C)ccn3)C2)c([N+](=O)[O-])c1 ZINC000584061796 519572263 /nfs/dbraw/zinc/57/22/63/519572263.db2.gz VLAYEMKZVNZIIT-AWEZNQCLSA-N 1 2 370.409 2.735 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@H](c3cc(C)ccn3)C2)c([N+](=O)[O-])c1 ZINC000584061796 519572276 /nfs/dbraw/zinc/57/22/76/519572276.db2.gz VLAYEMKZVNZIIT-AWEZNQCLSA-N 1 2 370.409 2.735 20 5 FFBDLO Cc1ccc(Sc2ccc(C[NH+]3C[C@H](O)[C@@H](O)C3)cc2[N+](=O)[O-])cc1 ZINC000600190243 520109920 /nfs/dbraw/zinc/10/99/20/520109920.db2.gz HGHHCNHSAQTRDX-IRXDYDNUSA-N 1 2 360.435 2.592 20 5 FFBDLO CC(C)C[C@@H](C)N(C)C(=O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000603839947 520372818 /nfs/dbraw/zinc/37/28/18/520372818.db2.gz HWXBPKNTXKERML-MRXNPFEDSA-N 1 2 362.474 2.610 20 5 FFBDLO CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3[nH+]ccn3c2)cc1OC ZINC000609619413 520381011 /nfs/dbraw/zinc/38/10/11/520381011.db2.gz KZXLUJJTSIMDJT-UHFFFAOYSA-N 1 2 356.338 2.902 20 5 FFBDLO CNc1ccc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000609669228 520402015 /nfs/dbraw/zinc/40/20/15/520402015.db2.gz MTQNMXHSUJCHLR-UHFFFAOYSA-N 1 2 351.366 2.752 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000609676404 520404557 /nfs/dbraw/zinc/40/45/57/520404557.db2.gz XUORBRQHHYNWGD-UHFFFAOYSA-N 1 2 372.406 2.567 20 5 FFBDLO COC(=O)CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])Cc1ccc(F)c(F)c1 ZINC000595318597 520405080 /nfs/dbraw/zinc/40/50/80/520405080.db2.gz WFSSJXADZXPFJX-UHFFFAOYSA-N 1 2 369.324 2.735 20 5 FFBDLO COC(=O)CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])Cc1ccc(F)c(F)c1 ZINC000595318597 520405082 /nfs/dbraw/zinc/40/50/82/520405082.db2.gz WFSSJXADZXPFJX-UHFFFAOYSA-N 1 2 369.324 2.735 20 5 FFBDLO COc1cc(OC)cc(OCCC[N@H+](C)Cc2onc(C)c2[N+](=O)[O-])c1 ZINC000595339381 520417521 /nfs/dbraw/zinc/41/75/21/520417521.db2.gz NUWLPXOHPOSEOK-UHFFFAOYSA-N 1 2 365.386 2.809 20 5 FFBDLO COc1cc(OC)cc(OCCC[N@@H+](C)Cc2onc(C)c2[N+](=O)[O-])c1 ZINC000595339381 520417525 /nfs/dbraw/zinc/41/75/25/520417525.db2.gz NUWLPXOHPOSEOK-UHFFFAOYSA-N 1 2 365.386 2.809 20 5 FFBDLO Cc1noc(C[NH+]2CCC(NC(=O)c3ccccc3C)CC2)c1[N+](=O)[O-] ZINC000595358184 520428154 /nfs/dbraw/zinc/42/81/54/520428154.db2.gz VVHVNTAAGLNFDO-UHFFFAOYSA-N 1 2 358.398 2.594 20 5 FFBDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000592520716 520435476 /nfs/dbraw/zinc/43/54/76/520435476.db2.gz PJEMHECZBRIEKQ-IUYMFKLXSA-N 1 2 351.406 2.781 20 5 FFBDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000592520716 520435482 /nfs/dbraw/zinc/43/54/82/520435482.db2.gz PJEMHECZBRIEKQ-IUYMFKLXSA-N 1 2 351.406 2.781 20 5 FFBDLO Cc1nc(C[NH+]2CCN(c3ncnc4ccc([N+](=O)[O-])cc43)CC2)cs1 ZINC000609849940 520457531 /nfs/dbraw/zinc/45/75/31/520457531.db2.gz ZXVCKENUZQZFKP-UHFFFAOYSA-N 1 2 370.438 2.625 20 5 FFBDLO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1nnc2n1CCCCC2 ZINC000595433638 520468956 /nfs/dbraw/zinc/46/89/56/520468956.db2.gz NYVIIZOVSHRBNT-LLVKDONJSA-N 1 2 355.402 2.640 20 5 FFBDLO CCOC(=O)c1ccnc(N(C)Cc2[nH+]cc(C)c(OC)c2C)c1[N+](=O)[O-] ZINC000609961648 520489868 /nfs/dbraw/zinc/48/98/68/520489868.db2.gz DZVVQQOPZOBXBO-UHFFFAOYSA-N 1 2 374.397 2.823 20 5 FFBDLO CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000592828402 520604481 /nfs/dbraw/zinc/60/44/81/520604481.db2.gz BHMAJSCMYPXCJV-UHFFFAOYSA-N 1 2 370.409 2.721 20 5 FFBDLO C[C@](CO)([NH2+]Cc1ccc(Br)cn1)c1cccc([N+](=O)[O-])c1 ZINC000601148567 520659717 /nfs/dbraw/zinc/65/97/17/520659717.db2.gz CXNCJBGSZXADOG-OAHLLOKOSA-N 1 2 366.215 2.750 20 5 FFBDLO Cc1cccn2cc(CCNc3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])[nH+]c12 ZINC000610468863 520702684 /nfs/dbraw/zinc/70/26/84/520702684.db2.gz OTGIAJFUIPQZQD-UHFFFAOYSA-N 1 2 364.365 2.854 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](OC(C)C)C1 ZINC000593056001 520712896 /nfs/dbraw/zinc/71/28/96/520712896.db2.gz WZTUJVDCCWEZBB-DZGCQCFKSA-N 1 2 365.430 2.820 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](OC(C)C)C1 ZINC000593056001 520712902 /nfs/dbraw/zinc/71/29/02/520712902.db2.gz WZTUJVDCCWEZBB-DZGCQCFKSA-N 1 2 365.430 2.820 20 5 FFBDLO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c(C)c1[N+](=O)[O-] ZINC000598602743 520737714 /nfs/dbraw/zinc/73/77/14/520737714.db2.gz BEWUAQHZVOPRTA-CYBMUJFWSA-N 1 2 364.427 2.851 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000610701342 520803008 /nfs/dbraw/zinc/80/30/08/520803008.db2.gz XUGNKGCGAODEMW-LBPRGKRZSA-N 1 2 365.393 2.898 20 5 FFBDLO CC[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1OCC(=O)NC ZINC000610786311 520843616 /nfs/dbraw/zinc/84/36/16/520843616.db2.gz ZGXURHNKPSSEBV-MRXNPFEDSA-N 1 2 373.409 2.666 20 5 FFBDLO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000601706317 520913311 /nfs/dbraw/zinc/91/33/11/520913311.db2.gz QHLABEKVFBKXQH-HOCLYGCPSA-N 1 2 369.421 2.798 20 5 FFBDLO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000601706317 520913316 /nfs/dbraw/zinc/91/33/16/520913316.db2.gz QHLABEKVFBKXQH-HOCLYGCPSA-N 1 2 369.421 2.798 20 5 FFBDLO Cc1cccc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)c1[N+](=O)[O-] ZINC000601850945 520986932 /nfs/dbraw/zinc/98/69/32/520986932.db2.gz IVMUJFCHWSSVMU-UHFFFAOYSA-N 1 2 372.450 2.781 20 5 FFBDLO O=C(Cc1cn2c([nH+]1)CCCC2)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000593482745 521022361 /nfs/dbraw/zinc/02/23/61/521022361.db2.gz CPFKXEASIZWPFY-UHFFFAOYSA-N 1 2 356.426 2.809 20 5 FFBDLO CC1(C)C(=O)N[C@H]1C1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599086699 521025375 /nfs/dbraw/zinc/02/53/75/521025375.db2.gz QFWPPJLUVGBRGM-KRWDZBQOSA-N 1 2 354.410 2.884 20 5 FFBDLO COC(=O)c1cc(C)nc(N(C)CCc2[nH]c3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000599091171 521028658 /nfs/dbraw/zinc/02/86/58/521028658.db2.gz HMHGUUYHFLQEMQ-UHFFFAOYSA-N 1 2 369.381 2.640 20 5 FFBDLO CCOC(=O)c1ccnc(N2CC[C@H](c3cc(C)cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000599099620 521031093 /nfs/dbraw/zinc/03/10/93/521031093.db2.gz GUWVYWSEKVICIO-ZDUSSCGKSA-N 1 2 356.382 2.864 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCO[C@@H](C(F)F)CC3)n2)c1 ZINC000601978057 521055298 /nfs/dbraw/zinc/05/52/98/521055298.db2.gz WWINNYVXJSRMKZ-GFCCVEGCSA-N 1 2 354.313 2.501 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCO[C@@H](C(F)F)CC3)n2)c1 ZINC000601978057 521055305 /nfs/dbraw/zinc/05/53/05/521055305.db2.gz WWINNYVXJSRMKZ-GFCCVEGCSA-N 1 2 354.313 2.501 20 5 FFBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCO[C@@H](c3ccccc3)C1)OCCO2 ZINC000611253786 521060914 /nfs/dbraw/zinc/06/09/14/521060914.db2.gz JEHPYIGOTURSKR-LJQANCHMSA-N 1 2 356.378 2.940 20 5 FFBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCO[C@@H](c3ccccc3)C1)OCCO2 ZINC000611253786 521060918 /nfs/dbraw/zinc/06/09/18/521060918.db2.gz JEHPYIGOTURSKR-LJQANCHMSA-N 1 2 356.378 2.940 20 5 FFBDLO CS(=O)(=O)C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000611273983 521073195 /nfs/dbraw/zinc/07/31/95/521073195.db2.gz ROFZHGLIJADFNG-UHFFFAOYSA-N 1 2 364.423 2.864 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)ccc1NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000599183453 521075846 /nfs/dbraw/zinc/07/58/46/521075846.db2.gz OARBUFOZWUXGAU-OAHLLOKOSA-N 1 2 362.817 2.956 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)ccc1NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000599183453 521075855 /nfs/dbraw/zinc/07/58/55/521075855.db2.gz OARBUFOZWUXGAU-OAHLLOKOSA-N 1 2 362.817 2.956 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596597574 521153913 /nfs/dbraw/zinc/15/39/13/521153913.db2.gz CGRSACAIEFKMSG-CYBMUJFWSA-N 1 2 371.441 2.740 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596597574 521153922 /nfs/dbraw/zinc/15/39/22/521153922.db2.gz CGRSACAIEFKMSG-CYBMUJFWSA-N 1 2 371.441 2.740 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596598090 521157457 /nfs/dbraw/zinc/15/74/57/521157457.db2.gz AMSFVFAAQDCDCG-UHFFFAOYSA-N 1 2 357.414 2.649 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596598090 521157466 /nfs/dbraw/zinc/15/74/66/521157466.db2.gz AMSFVFAAQDCDCG-UHFFFAOYSA-N 1 2 357.414 2.649 20 5 FFBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000602150360 521175450 /nfs/dbraw/zinc/17/54/50/521175450.db2.gz IBDGRQQUDOJVQO-CQSZACIVSA-N 1 2 370.331 2.986 20 5 FFBDLO Cn1c(CCNc2ncnc3ccc([N+](=O)[O-])cc32)[nH+]c2ccc(F)cc21 ZINC000611710012 521291652 /nfs/dbraw/zinc/29/16/52/521291652.db2.gz XEVDAGKTFZPIRG-UHFFFAOYSA-N 1 2 366.356 2.640 20 5 FFBDLO Cn1cc(C[N@H+](C)CCOc2ccc(Br)cc2)c([N+](=O)[O-])n1 ZINC000602436744 521345326 /nfs/dbraw/zinc/34/53/26/521345326.db2.gz YZMUOAQSTHKZNC-UHFFFAOYSA-N 1 2 369.219 2.602 20 5 FFBDLO Cn1cc(C[N@@H+](C)CCOc2ccc(Br)cc2)c([N+](=O)[O-])n1 ZINC000602436744 521345330 /nfs/dbraw/zinc/34/53/30/521345330.db2.gz YZMUOAQSTHKZNC-UHFFFAOYSA-N 1 2 369.219 2.602 20 5 FFBDLO COc1ccc(NC(=O)NCC[NH+]2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000611823466 521351927 /nfs/dbraw/zinc/35/19/27/521351927.db2.gz NHPXQYBFSRUCOC-UHFFFAOYSA-N 1 2 356.382 2.741 20 5 FFBDLO Cc1c(NC(=O)CC[NH2+]C(C)(C)C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000599651093 521362066 /nfs/dbraw/zinc/36/20/66/521362066.db2.gz YNAFTLHEFRBBDO-UHFFFAOYSA-N 1 2 365.430 2.942 20 5 FFBDLO Cc1cn2c([nH+]1)CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC2 ZINC000611894665 521384094 /nfs/dbraw/zinc/38/40/94/521384094.db2.gz DPRIBGDNIPLXLH-UHFFFAOYSA-N 1 2 354.288 2.775 20 5 FFBDLO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602618995 521438961 /nfs/dbraw/zinc/43/89/61/521438961.db2.gz VGZULBUMBIWNQH-CYBMUJFWSA-N 1 2 372.347 2.650 20 5 FFBDLO O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602618995 521438970 /nfs/dbraw/zinc/43/89/70/521438970.db2.gz VGZULBUMBIWNQH-CYBMUJFWSA-N 1 2 372.347 2.650 20 5 FFBDLO O=C1CC[C@@H]2C[N@H+](Cc3cc(Br)c([N+](=O)[O-])s3)CC[C@H]2N1 ZINC000602706732 521488078 /nfs/dbraw/zinc/48/80/78/521488078.db2.gz DLNQIYZFIMSKKO-LDYMZIIASA-N 1 2 374.260 2.519 20 5 FFBDLO O=C1CC[C@@H]2C[N@@H+](Cc3cc(Br)c([N+](=O)[O-])s3)CC[C@H]2N1 ZINC000602706732 521488082 /nfs/dbraw/zinc/48/80/82/521488082.db2.gz DLNQIYZFIMSKKO-LDYMZIIASA-N 1 2 374.260 2.519 20 5 FFBDLO Cc1cc(C)c(CN2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c(C)[nH+]1 ZINC000602764848 521520408 /nfs/dbraw/zinc/52/04/08/521520408.db2.gz ZXKRMJUCWYTMGQ-UHFFFAOYSA-N 1 2 374.466 2.935 20 5 FFBDLO CNC(=O)C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 ZINC000619517127 521605010 /nfs/dbraw/zinc/60/50/10/521605010.db2.gz YOPVMJYPTRVTAA-AWEZNQCLSA-N 1 2 354.366 2.703 20 5 FFBDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncc([N+](=O)[O-])c(C)c2C)CC1 ZINC001164918478 721816804 /nfs/dbraw/zinc/81/68/04/721816804.db2.gz ZXBOWIROFSOKAU-UHFFFAOYSA-N 1 2 370.457 2.553 20 5 FFBDLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000898503486 735371776 /nfs/dbraw/zinc/37/17/76/735371776.db2.gz MDXFTJUZEUHVDE-SNVBAGLBSA-N 1 2 363.311 2.777 20 5 FFBDLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000898503486 735371779 /nfs/dbraw/zinc/37/17/79/735371779.db2.gz MDXFTJUZEUHVDE-SNVBAGLBSA-N 1 2 363.311 2.777 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC000023863222 727849293 /nfs/dbraw/zinc/84/92/93/727849293.db2.gz IZYHBMZLWYYTSI-UHFFFAOYSA-N 1 2 359.363 2.857 20 5 FFBDLO Cc1nn(C[N@H+](C)CCOc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000779859995 738490888 /nfs/dbraw/zinc/49/08/88/738490888.db2.gz PSLWSHFYKDEJRZ-UHFFFAOYSA-N 1 2 369.219 2.831 20 5 FFBDLO Cc1nn(C[N@@H+](C)CCOc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000779859995 738490891 /nfs/dbraw/zinc/49/08/91/738490891.db2.gz PSLWSHFYKDEJRZ-UHFFFAOYSA-N 1 2 369.219 2.831 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)o1 ZINC000878706197 732581421 /nfs/dbraw/zinc/58/14/21/732581421.db2.gz SLJCRAJBYIYGML-UWVGGRQHSA-N 1 2 352.803 2.988 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@H+]2C[C@@H]3C[C@H]2CS3)o1 ZINC000878706197 732581426 /nfs/dbraw/zinc/58/14/26/732581426.db2.gz SLJCRAJBYIYGML-UWVGGRQHSA-N 1 2 352.803 2.988 20 5 FFBDLO CO[C@]1(C(F)(F)F)CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000880302260 732883179 /nfs/dbraw/zinc/88/31/79/732883179.db2.gz FKSAAVMKVPKPQX-CQSZACIVSA-N 1 2 362.304 2.615 20 5 FFBDLO CO[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000880302260 732883182 /nfs/dbraw/zinc/88/31/82/732883182.db2.gz FKSAAVMKVPKPQX-CQSZACIVSA-N 1 2 362.304 2.615 20 5 FFBDLO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000885980243 733737118 /nfs/dbraw/zinc/73/71/18/733737118.db2.gz WXOUUBGQSSTRGQ-CQSZACIVSA-N 1 2 350.419 2.869 20 5 FFBDLO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000885980243 733737122 /nfs/dbraw/zinc/73/71/22/733737122.db2.gz WXOUUBGQSSTRGQ-CQSZACIVSA-N 1 2 350.419 2.869 20 5 FFBDLO C[C@@H](OC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000741146356 735119668 /nfs/dbraw/zinc/11/96/68/735119668.db2.gz IAZNBEWZMQPFCA-QMTHXVAHSA-N 1 2 369.805 2.603 20 5 FFBDLO C[C@@H](OC(=O)[C@H]1CCCC[N@H+]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000741146356 735119669 /nfs/dbraw/zinc/11/96/69/735119669.db2.gz IAZNBEWZMQPFCA-QMTHXVAHSA-N 1 2 369.805 2.603 20 5 FFBDLO COc1cc([C@@H](C)[NH2+]Cc2cn(C)nc2Br)cc([N+](=O)[O-])c1 ZINC000903218649 736057484 /nfs/dbraw/zinc/05/74/84/736057484.db2.gz CLLBUSKIEXNINU-SECBINFHSA-N 1 2 369.219 2.950 20 5 FFBDLO CCc1ccc([C@H]([NH2+]CC[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000905135351 736300974 /nfs/dbraw/zinc/30/09/74/736300974.db2.gz NLRSYDWYEVAGDX-SFHVURJKSA-N 1 2 362.451 2.608 20 5 FFBDLO CCOC(=O)[C@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774636830 738008184 /nfs/dbraw/zinc/00/81/84/738008184.db2.gz YFOWNBCPXLKFDP-NSHDSACASA-N 1 2 366.805 2.831 20 5 FFBDLO CCOC(=O)[C@H]1CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774636830 738008188 /nfs/dbraw/zinc/00/81/88/738008188.db2.gz YFOWNBCPXLKFDP-NSHDSACASA-N 1 2 366.805 2.831 20 5 FFBDLO O=C(C[N@@H+]1CCOC[C@@H](C2CCC2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000795298029 739999589 /nfs/dbraw/zinc/99/95/89/739999589.db2.gz PTQWACOAJZRCFV-ZDUSSCGKSA-N 1 2 367.833 2.935 20 5 FFBDLO O=C(C[N@H+]1CCOC[C@@H](C2CCC2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000795298029 739999593 /nfs/dbraw/zinc/99/95/93/739999593.db2.gz PTQWACOAJZRCFV-ZDUSSCGKSA-N 1 2 367.833 2.935 20 5 FFBDLO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](Cc2cc3ccccc3s2)C1 ZINC000950055965 740392436 /nfs/dbraw/zinc/39/24/36/740392436.db2.gz SGPLAGPQTUAKRV-HZPDHXFCSA-N 1 2 359.451 2.599 20 5 FFBDLO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000808189464 741196861 /nfs/dbraw/zinc/19/68/61/741196861.db2.gz ROOAGQJDFXVRSG-ZDUSSCGKSA-N 1 2 353.423 2.518 20 5 FFBDLO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000808189464 741196863 /nfs/dbraw/zinc/19/68/63/741196863.db2.gz ROOAGQJDFXVRSG-ZDUSSCGKSA-N 1 2 353.423 2.518 20 5 FFBDLO Cc1ccc(CNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000825640313 743305043 /nfs/dbraw/zinc/30/50/43/743305043.db2.gz COIKJAAMSKKIFX-ZDUSSCGKSA-N 1 2 356.304 2.910 20 5 FFBDLO Cc1cc(Cl)c(C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000830786871 745429781 /nfs/dbraw/zinc/42/97/81/745429781.db2.gz ICJLSTNZBZPTCU-UHFFFAOYSA-N 1 2 369.849 2.739 20 5 FFBDLO Cc1cc(Cl)c(C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000830786871 745429787 /nfs/dbraw/zinc/42/97/87/745429787.db2.gz ICJLSTNZBZPTCU-UHFFFAOYSA-N 1 2 369.849 2.739 20 5 FFBDLO O=C(NC[C@@H]1C[C@H]1C(F)(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000831397073 745524542 /nfs/dbraw/zinc/52/45/42/745524542.db2.gz QTSOQSMAFAUNFZ-WDEREUQCSA-N 1 2 354.288 2.709 20 5 FFBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)OCC1CN(c2cccc[nH+]2)C1 ZINC000842892978 747715878 /nfs/dbraw/zinc/71/58/78/747715878.db2.gz PXCYEFOZCZCDQJ-UHFFFAOYSA-N 1 2 359.407 2.762 20 5 FFBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000843771719 747891763 /nfs/dbraw/zinc/89/17/63/747891763.db2.gz NNWVYQXROKFJMR-UHFFFAOYSA-N 1 2 363.414 2.892 20 5 FFBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000843771719 747891769 /nfs/dbraw/zinc/89/17/69/747891769.db2.gz NNWVYQXROKFJMR-UHFFFAOYSA-N 1 2 363.414 2.892 20 5 FFBDLO C[C@@H](CO)C1CC[NH+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000844416679 748025320 /nfs/dbraw/zinc/02/53/20/748025320.db2.gz PQEPISLNPBIOIT-NSHDSACASA-N 1 2 355.822 2.527 20 5 FFBDLO COC(=O)[C@H](CC1CCOCC1)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000895592252 970775288 /nfs/dbraw/zinc/77/52/88/970775288.db2.gz SHIQVSOZDWFLGL-PBHICJAKSA-N 1 2 364.442 2.864 20 5 FFBDLO Cc1nc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000177663599 962032671 /nfs/dbraw/zinc/03/26/71/962032671.db2.gz UGXBQIOZHPQKBH-UHFFFAOYSA-N 1 2 368.309 2.644 20 5 FFBDLO CCOC(=O)Cc1ccc(N2CCC(n3cc[nH+]c3)CC2)c([N+](=O)[O-])c1 ZINC000825668006 1013433663 /nfs/dbraw/zinc/43/36/63/1013433663.db2.gz KERKJHCFFQBAOM-UHFFFAOYSA-N 1 2 358.398 2.738 20 5 FFBDLO Cc1cc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)c(N)c([N+](=O)[O-])c1 ZINC000729512346 967490393 /nfs/dbraw/zinc/49/03/93/967490393.db2.gz FYFYDRLXWKCMNB-UHFFFAOYSA-N 1 2 365.393 2.660 20 5 FFBDLO O=C1CC2(C[NH+](CCc3ccc([N+](=O)[O-])cc3)C2)N1Cc1ccccc1 ZINC000877717555 1014696685 /nfs/dbraw/zinc/69/66/85/1014696685.db2.gz HOWPCCJNNLHDJJ-UHFFFAOYSA-N 1 2 351.406 2.624 20 5 FFBDLO CCOC(=O)C[C@@H](OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000764702321 984645619 /nfs/dbraw/zinc/64/56/19/984645619.db2.gz PBOVBXBYPQIHFP-MRXNPFEDSA-N 1 2 373.365 2.669 20 5 FFBDLO C[N@H+](CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@H]1CCc2ccccc21 ZINC000022758185 1015081346 /nfs/dbraw/zinc/08/13/46/1015081346.db2.gz RNBOBZGOTXHEJW-HNNXBMFYSA-N 1 2 351.362 2.768 20 5 FFBDLO C[N@@H+](CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@H]1CCc2ccccc21 ZINC000022758185 1015081358 /nfs/dbraw/zinc/08/13/58/1015081358.db2.gz RNBOBZGOTXHEJW-HNNXBMFYSA-N 1 2 351.362 2.768 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1Cn1c2ccccc2[nH+]c1NC[C@H](C)O ZINC000915669658 988848992 /nfs/dbraw/zinc/84/89/92/988848992.db2.gz PCDZLDSTLPJNFC-LBPRGKRZSA-N 1 2 356.382 2.794 20 5 FFBDLO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC000763206353 989223396 /nfs/dbraw/zinc/22/33/96/989223396.db2.gz HFPJCHGTXYDVMJ-UHFFFAOYSA-N 1 2 369.421 2.998 20 5 FFBDLO O=C(Nc1nccc2ccncc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000763327684 989684218 /nfs/dbraw/zinc/68/42/18/989684218.db2.gz SNXCYCLAUVQPPQ-UHFFFAOYSA-N 1 2 360.333 2.976 20 5 FFBDLO Cc1ccc([C@H](O)CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000032667433 989726084 /nfs/dbraw/zinc/72/60/84/989726084.db2.gz UPCBHBGIJSYVSS-GOSISDBHSA-N 1 2 366.377 2.552 20 5 FFBDLO COc1ccc([C@H]2C[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CCO2)cc1 ZINC000879634899 1015621075 /nfs/dbraw/zinc/62/10/75/1015621075.db2.gz ZMVGUCJKDOWSJP-RBUKOAKNSA-N 1 2 358.394 2.710 20 5 FFBDLO COc1ccc([C@H]2C[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CCO2)cc1 ZINC000879634899 1015621076 /nfs/dbraw/zinc/62/10/76/1015621076.db2.gz ZMVGUCJKDOWSJP-RBUKOAKNSA-N 1 2 358.394 2.710 20 5 FFBDLO COc1ccc([C@H]2COCC[N@@H+]2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000879737961 1015660240 /nfs/dbraw/zinc/66/02/40/1015660240.db2.gz LCPGKVDJCRFSPR-RTBURBONSA-N 1 2 358.394 2.710 20 5 FFBDLO COc1ccc([C@H]2COCC[N@H+]2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000879737961 1015660245 /nfs/dbraw/zinc/66/02/45/1015660245.db2.gz LCPGKVDJCRFSPR-RTBURBONSA-N 1 2 358.394 2.710 20 5 FFBDLO C[C@@H]1CC(=O)CC[C@H]1C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171875 995633472 /nfs/dbraw/zinc/63/34/72/995633472.db2.gz WGIROEPDBQFCSJ-JEBQAFNWSA-N 1 2 360.410 2.718 20 5 FFBDLO C[C@@H]1CC(=O)CC[C@H]1C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171875 995633477 /nfs/dbraw/zinc/63/34/77/995633477.db2.gz WGIROEPDBQFCSJ-JEBQAFNWSA-N 1 2 360.410 2.718 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000845146035 998378986 /nfs/dbraw/zinc/37/89/86/998378986.db2.gz BNXRSDFRJHLWIT-QGZVFWFLSA-N 1 2 372.377 2.728 20 5 FFBDLO Cc1c(NC(=O)[C@H](C)OC(=O)C[C@@H](C)n2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000845275127 998459055 /nfs/dbraw/zinc/45/90/55/998459055.db2.gz CYUGXUKRQZFYAU-YPMHNXCESA-N 1 2 360.370 2.621 20 5 FFBDLO COc1ccc([C@@H]2[C@H](COC(=O)c3ccc([N+](=O)[O-])[nH]3)CC[N@@H+]2C)cc1 ZINC000741120954 999709644 /nfs/dbraw/zinc/70/96/44/999709644.db2.gz OVTOXGIJQNEWIH-SUMWQHHRSA-N 1 2 359.382 2.781 20 5 FFBDLO COc1ccc([C@@H]2[C@H](COC(=O)c3ccc([N+](=O)[O-])[nH]3)CC[N@H+]2C)cc1 ZINC000741120954 999709647 /nfs/dbraw/zinc/70/96/47/999709647.db2.gz OVTOXGIJQNEWIH-SUMWQHHRSA-N 1 2 359.382 2.781 20 5 FFBDLO CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cn1nccc1[N+](=O)[O-] ZINC000769628425 1000553451 /nfs/dbraw/zinc/55/34/51/1000553451.db2.gz YFBUYDXSOWVVQZ-AGUYFDCRSA-N 1 2 365.434 2.659 20 5 FFBDLO CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cn1nccc1[N+](=O)[O-] ZINC000769628425 1000553456 /nfs/dbraw/zinc/55/34/56/1000553456.db2.gz YFBUYDXSOWVVQZ-AGUYFDCRSA-N 1 2 365.434 2.659 20 5 FFBDLO COC(=O)[C@@H]1CCC[C@@H](OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000785942618 1001506109 /nfs/dbraw/zinc/50/61/09/1001506109.db2.gz IIBQIZSJODIOAV-TZMCWYRMSA-N 1 2 373.365 2.669 20 5 FFBDLO COc1ccc(OC)c(C[NH+]2CCN(c3ccc(N)cc3[N+](=O)[O-])CC2)c1 ZINC000786581190 1001600985 /nfs/dbraw/zinc/60/09/85/1001600985.db2.gz NVRNLHBSESJIFW-UHFFFAOYSA-N 1 2 372.425 2.516 20 5 FFBDLO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2nc(-c3ccccc3)n[nH]2)n1 ZINC000774316334 1001856163 /nfs/dbraw/zinc/85/61/63/1001856163.db2.gz SVJWDAKHELQWBT-LSDHHAIUSA-N 1 2 367.413 2.850 20 5 FFBDLO CCN(C(=O)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 ZINC001183835015 1002405585 /nfs/dbraw/zinc/40/55/85/1002405585.db2.gz XSQCYTYIANVBMO-UHFFFAOYSA-N 1 2 354.366 2.879 20 5 FFBDLO COc1ccc(C[C@H](C)[NH+]2CCN(CC(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC001170344552 1003131660 /nfs/dbraw/zinc/13/16/60/1003131660.db2.gz BXTTTZPMVLCYQB-LBPRGKRZSA-N 1 2 361.364 2.714 20 5 FFBDLO Cc1cc(CNS(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])cc(C)[nH+]1 ZINC001191512360 1003860773 /nfs/dbraw/zinc/86/07/73/1003860773.db2.gz HHYROFQLHHIGBR-UHFFFAOYSA-N 1 2 353.375 2.533 20 5 FFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)c([N+](=O)[O-])c1 ZINC001197316611 1004158553 /nfs/dbraw/zinc/15/85/53/1004158553.db2.gz PPBJFICWPAQDPS-IRXDYDNUSA-N 1 2 354.366 2.966 20 5 FFBDLO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)c([N+](=O)[O-])c1 ZINC001197316611 1004158564 /nfs/dbraw/zinc/15/85/64/1004158564.db2.gz PPBJFICWPAQDPS-IRXDYDNUSA-N 1 2 354.366 2.966 20 5 FFBDLO COc1cccc([C@H]2C[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CCO2)c1 ZINC000776586207 1005972397 /nfs/dbraw/zinc/97/23/97/1005972397.db2.gz KPXASTQDKDNMCR-RTBURBONSA-N 1 2 358.394 2.710 20 5 FFBDLO COc1cccc([C@H]2C[N@@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CCO2)c1 ZINC000776586207 1005972405 /nfs/dbraw/zinc/97/24/05/1005972405.db2.gz KPXASTQDKDNMCR-RTBURBONSA-N 1 2 358.394 2.710 20 5 FFBDLO O=C(NC[C@@H]1CCC2(CCC2)O1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000882538674 1006425285 /nfs/dbraw/zinc/42/52/85/1006425285.db2.gz IGZSGJFYVJTTRF-AWEZNQCLSA-N 1 2 356.382 2.612 20 5 FFBDLO O=C(NC[C@H]1CCC2(CCC2)O1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000882538675 1006425438 /nfs/dbraw/zinc/42/54/38/1006425438.db2.gz IGZSGJFYVJTTRF-CQSZACIVSA-N 1 2 356.382 2.612 20 5 FFBDLO O=C(N[C@@H]1CCCc2cccnc21)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001134678991 1006442607 /nfs/dbraw/zinc/44/26/07/1006442607.db2.gz WHOQMGPYBHXLIP-OAHLLOKOSA-N 1 2 363.377 2.983 20 5 FFBDLO CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2Cc1cccnc1[N+](=O)[O-] ZINC000886310381 1008632178 /nfs/dbraw/zinc/63/21/78/1008632178.db2.gz KRCAAMJRISGSEJ-HUUCEWRRSA-N 1 2 362.430 2.964 20 5 FFBDLO CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2Cc1cccnc1[N+](=O)[O-] ZINC000886310381 1008632187 /nfs/dbraw/zinc/63/21/87/1008632187.db2.gz KRCAAMJRISGSEJ-HUUCEWRRSA-N 1 2 362.430 2.964 20 5 FFBDLO CC[C@H]([NH2+]Cc1cn(Cc2cccnc2)nn1)c1cccc([N+](=O)[O-])c1 ZINC001178365603 1008968842 /nfs/dbraw/zinc/96/88/42/1008968842.db2.gz NISAVNCWOWCTMP-SFHVURJKSA-N 1 2 352.398 2.871 20 5 FFBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861396093 1009390135 /nfs/dbraw/zinc/39/01/35/1009390135.db2.gz RPIKURYMISGSLD-AWEZNQCLSA-N 1 2 357.410 2.541 20 5 FFBDLO COc1ccc2c(c1)CN(C[N@H+](C)CCc1ccccc1[N+](=O)[O-])C2=O ZINC000863266998 1010148749 /nfs/dbraw/zinc/14/87/49/1010148749.db2.gz KSUDSUMVQQYBLX-UHFFFAOYSA-N 1 2 355.394 2.691 20 5 FFBDLO COc1ccc2c(c1)CN(C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])C2=O ZINC000863266998 1010148757 /nfs/dbraw/zinc/14/87/57/1010148757.db2.gz KSUDSUMVQQYBLX-UHFFFAOYSA-N 1 2 355.394 2.691 20 5 FFBDLO O=C(N[C@@H]1CCOC12CCCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000890424353 1010403630 /nfs/dbraw/zinc/40/36/30/1010403630.db2.gz NITSCHOFAXIZMI-MRXNPFEDSA-N 1 2 356.382 2.612 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2noc(C(C)C)n2)c1F ZINC001173178069 1012322707 /nfs/dbraw/zinc/32/27/07/1012322707.db2.gz ZSXQZNHLFNURDT-SNVBAGLBSA-N 1 2 352.366 2.970 20 5 FFBDLO O=C(NC[C@H]1CCC12CCOCC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000871587474 1013013873 /nfs/dbraw/zinc/01/38/73/1013013873.db2.gz WKKFNFFQRZSHTO-OAHLLOKOSA-N 1 2 370.409 2.717 20 5 FFBDLO Cc1ccc(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)c(N(C)C)[nH+]1 ZINC000827557214 1018477946 /nfs/dbraw/zinc/47/79/46/1018477946.db2.gz KJAKWFYHXWSQHV-UHFFFAOYSA-N 1 2 356.382 2.966 20 5 FFBDLO O=C(CCc1cc(F)ccc1[N+](=O)[O-])NCCc1cn2c([nH+]1)CCCC2 ZINC000929989856 1019795871 /nfs/dbraw/zinc/79/58/71/1019795871.db2.gz JJAHWLVIJOSNON-UHFFFAOYSA-N 1 2 360.389 2.558 20 5 FFBDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000800500666 1020361715 /nfs/dbraw/zinc/36/17/15/1020361715.db2.gz TYXWIMYSBQSQKU-DNVCBOLYSA-N 1 2 371.437 2.780 20 5 FFBDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000800500666 1020361724 /nfs/dbraw/zinc/36/17/24/1020361724.db2.gz TYXWIMYSBQSQKU-DNVCBOLYSA-N 1 2 371.437 2.780 20 5 FFBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c1 ZINC000726590782 1020491500 /nfs/dbraw/zinc/49/15/00/1020491500.db2.gz TYYQGNOZCFCSIJ-ZDUSSCGKSA-N 1 2 372.360 2.818 20 5 FFBDLO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c1 ZINC000726590782 1020491506 /nfs/dbraw/zinc/49/15/06/1020491506.db2.gz TYYQGNOZCFCSIJ-ZDUSSCGKSA-N 1 2 372.360 2.818 20 5 FFBDLO C[C@H]1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000934654451 1021324055 /nfs/dbraw/zinc/32/40/55/1021324055.db2.gz RXKFJJIZAFYAJO-SUMWQHHRSA-N 1 2 360.389 2.973 20 5 FFBDLO Cc1cc2nc3nc(=O)[nH]c(O[C@H]4C[C@H]5CC[C@@H](C4)[NH2+]5)c3nc2cc1C ZINC001218185888 1033038740 /nfs/dbraw/zinc/03/87/40/1033038740.db2.gz JBGISCUYQIWLOW-ITGUQSILSA-N 1 2 351.410 2.557 20 5 FFBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000157763199 1022458407 /nfs/dbraw/zinc/45/84/07/1022458407.db2.gz UBHOMXKWNIPZNB-PKOBYXMFSA-N 1 2 372.421 2.798 20 5 FFBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000157763199 1022458411 /nfs/dbraw/zinc/45/84/11/1022458411.db2.gz UBHOMXKWNIPZNB-PKOBYXMFSA-N 1 2 372.421 2.798 20 5 FFBDLO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000756995466 1023776946 /nfs/dbraw/zinc/77/69/46/1023776946.db2.gz DTZDKEKILRTHJW-QGZVFWFLSA-N 1 2 374.828 2.924 20 5 FFBDLO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000756995466 1023776951 /nfs/dbraw/zinc/77/69/51/1023776951.db2.gz DTZDKEKILRTHJW-QGZVFWFLSA-N 1 2 374.828 2.924 20 5 FFBDLO C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C[C@H]1n1cc[nH+]c1 ZINC000759250325 1024535211 /nfs/dbraw/zinc/53/52/11/1024535211.db2.gz WPGRKMXSURPOSZ-FZKQIMNGSA-N 1 2 369.425 2.771 20 5 FFBDLO O=C(OCc1nnc(C2CC2)s1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000838101500 1026208390 /nfs/dbraw/zinc/20/83/90/1026208390.db2.gz LDYTYUYTJNUZTM-UHFFFAOYSA-N 1 2 371.378 2.866 20 5 FFBDLO C[C@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000839646347 1026773140 /nfs/dbraw/zinc/77/31/40/1026773140.db2.gz IGNVDPJUTZBBEK-OXJNMPFZSA-N 1 2 355.438 2.835 20 5 FFBDLO C[C@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000839646347 1026773148 /nfs/dbraw/zinc/77/31/48/1026773148.db2.gz IGNVDPJUTZBBEK-OXJNMPFZSA-N 1 2 355.438 2.835 20 5 FFBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CN1C(=O)[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000839966521 1026886916 /nfs/dbraw/zinc/88/69/16/1026886916.db2.gz DIYQGPRKFHWBMU-UYAOXDASSA-N 1 2 373.453 2.933 20 5 FFBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)CN1C(=O)[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000839966521 1026886922 /nfs/dbraw/zinc/88/69/22/1026886922.db2.gz DIYQGPRKFHWBMU-UYAOXDASSA-N 1 2 373.453 2.933 20 5 FFBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CN1C(=O)[C@]2(CCCO2)[C@H]1C1CC1 ZINC000839966517 1026886937 /nfs/dbraw/zinc/88/69/37/1026886937.db2.gz DIYQGPRKFHWBMU-QUCCMNQESA-N 1 2 373.453 2.933 20 5 FFBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)CN1C(=O)[C@]2(CCCO2)[C@H]1C1CC1 ZINC000839966517 1026886945 /nfs/dbraw/zinc/88/69/45/1026886945.db2.gz DIYQGPRKFHWBMU-QUCCMNQESA-N 1 2 373.453 2.933 20 5 FFBDLO NC(=O)C1CC[NH+](c2ccc(Nc3ncc([N+](=O)[O-])cc3F)cc2)CC1 ZINC000840252906 1027021948 /nfs/dbraw/zinc/02/19/48/1027021948.db2.gz DNHOBPSXODYXGK-UHFFFAOYSA-N 1 2 359.361 2.574 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)c2c[nH+]c3c(C)cccn23)n1 ZINC001160688074 1027805452 /nfs/dbraw/zinc/80/54/52/1027805452.db2.gz LSGTWNUWZAKVRL-NSHDSACASA-N 1 2 355.354 2.906 20 5 FFBDLO O=[N+]([O-])c1cn(C[N@@H+]2CCC=C(c3ccncc3)C2)nc1-c1ccncc1 ZINC000795738271 1028077029 /nfs/dbraw/zinc/07/70/29/1028077029.db2.gz PQCDTJDZKRFXQN-UHFFFAOYSA-N 1 2 362.393 2.995 20 5 FFBDLO O=[N+]([O-])c1cn(C[N@H+]2CCC=C(c3ccncc3)C2)nc1-c1ccncc1 ZINC000795738271 1028077049 /nfs/dbraw/zinc/07/70/49/1028077049.db2.gz PQCDTJDZKRFXQN-UHFFFAOYSA-N 1 2 362.393 2.995 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]C[C@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000780762422 1028798674 /nfs/dbraw/zinc/79/86/74/1028798674.db2.gz GSJUBUQUAHKSAM-ROUUACIJSA-N 1 2 352.394 2.741 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1ccc([N+](=O)[O-])cc1 ZINC000780765336 1028798773 /nfs/dbraw/zinc/79/87/73/1028798773.db2.gz YHRNWOUUTXUSJV-FUHWJXTLSA-N 1 2 372.450 2.977 20 5 FFBDLO COc1cc2ncnc(NCCc3cn4ccccc4[nH+]3)c2cc1[N+](=O)[O-] ZINC001158145983 1029745510 /nfs/dbraw/zinc/74/55/10/1029745510.db2.gz VCVNQNZBNUGJRI-UHFFFAOYSA-N 1 2 364.365 2.849 20 5 FFBDLO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)c1 ZINC000782840162 1029835186 /nfs/dbraw/zinc/83/51/86/1029835186.db2.gz BQMRDMZRHBAPPE-HNNXBMFYSA-N 1 2 371.372 2.980 20 5 FFBDLO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CCC[C@H](Oc3ncccc3F)C2)c1 ZINC000782840162 1029835194 /nfs/dbraw/zinc/83/51/94/1029835194.db2.gz BQMRDMZRHBAPPE-HNNXBMFYSA-N 1 2 371.372 2.980 20 5 FFBDLO C[C@H](O[NH+]=C(N)Cc1cccc(F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000783149925 1029925200 /nfs/dbraw/zinc/92/52/00/1029925200.db2.gz AAMJWKDNFGTHID-NSHDSACASA-N 1 2 360.345 2.802 20 5 FFBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OCC1CN(c2cccc[nH+]2)C1 ZINC000842887073 1031025364 /nfs/dbraw/zinc/02/53/64/1031025364.db2.gz AMWJLNPKWULERG-UHFFFAOYSA-N 1 2 366.377 2.693 20 5 FFBDLO O=C(OCc1cc2n(n1)CCCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000843020056 1031129760 /nfs/dbraw/zinc/12/97/60/1031129760.db2.gz CTANOJFUAXKAIH-UHFFFAOYSA-N 1 2 367.365 2.670 20 5 FFBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC001225483918 1034272150 /nfs/dbraw/zinc/27/21/50/1034272150.db2.gz KXCUYMCQNDJBBP-UHFFFAOYSA-N 1 2 369.425 2.818 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(O[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC001227062222 1034925179 /nfs/dbraw/zinc/92/51/79/1034925179.db2.gz JNQKCUZYJZWXFP-CRAIPNDOSA-N 1 2 357.410 2.967 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(O[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC001227062222 1034925185 /nfs/dbraw/zinc/92/51/85/1034925185.db2.gz JNQKCUZYJZWXFP-CRAIPNDOSA-N 1 2 357.410 2.967 20 5 FFBDLO COC(=O)[C@H]1CCCC[C@@H]1OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835263083 1035647244 /nfs/dbraw/zinc/64/72/44/1035647244.db2.gz HCBHMGDXKQOMIC-BBRMVZONSA-N 1 2 373.365 2.669 20 5 FFBDLO C[C@@H](OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(=O)OC(C)(C)C ZINC000835407329 1035754493 /nfs/dbraw/zinc/75/44/93/1035754493.db2.gz ZYYCWCMMXQQZKS-LLVKDONJSA-N 1 2 361.354 2.668 20 5 FFBDLO CC[C@H](OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H](C)C(=O)OC ZINC000836113836 1036245648 /nfs/dbraw/zinc/24/56/48/1036245648.db2.gz YIIJBVMPWXNOKO-ABAIWWIYSA-N 1 2 361.354 2.525 20 5 FFBDLO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC001228678589 1036248970 /nfs/dbraw/zinc/24/89/70/1036248970.db2.gz JZRXXYRPRWMICW-UHFFFAOYSA-N 1 2 355.398 2.776 20 5 FFBDLO C[N@@H+]1CCC[C@H](Oc2cc(O)cc3oc4c(O)ccc(O)c4c(=O)c23)C1 ZINC001234124270 1036928102 /nfs/dbraw/zinc/92/81/02/1036928102.db2.gz HCQVECAORJYPNR-NSHDSACASA-N 1 2 357.362 2.536 20 5 FFBDLO C[N@H+]1CCC[C@H](Oc2cc(O)cc3oc4c(O)ccc(O)c4c(=O)c23)C1 ZINC001234124270 1036928117 /nfs/dbraw/zinc/92/81/17/1036928117.db2.gz HCQVECAORJYPNR-NSHDSACASA-N 1 2 357.362 2.536 20 5 FFBDLO [NH3+][C@@H](Cn1cccn1)c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001247230811 1039668547 /nfs/dbraw/zinc/66/85/47/1039668547.db2.gz QYRAAWKQXQSPGH-AWEZNQCLSA-N 1 2 357.377 2.730 20 5 FFBDLO C[C@@]1(CO)CC(F)(F)C[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254475056 1040742131 /nfs/dbraw/zinc/74/21/31/1040742131.db2.gz ZJMFYSGJHYKNNK-INIZCTEOSA-N 1 2 355.385 2.656 20 5 FFBDLO C[C@@]1(CO)CC(F)(F)C[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254475056 1040742147 /nfs/dbraw/zinc/74/21/47/1040742147.db2.gz ZJMFYSGJHYKNNK-INIZCTEOSA-N 1 2 355.385 2.656 20 5 FFBDLO COC(=O)[C@](C)(Cc1ccc(O)cc1)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254537668 1040786976 /nfs/dbraw/zinc/78/69/76/1040786976.db2.gz FWRLSLOYQUNYGD-XOBRGWDASA-N 1 2 372.421 2.995 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCO[C@H](COc3ccccc3)C1)C2 ZINC001254608684 1040836826 /nfs/dbraw/zinc/83/68/26/1040836826.db2.gz SGTDZZWZNXIXEK-ICSRJNTNSA-N 1 2 354.406 2.842 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCO[C@H](COc3ccccc3)C1)C2 ZINC001254608684 1040836833 /nfs/dbraw/zinc/83/68/33/1040836833.db2.gz SGTDZZWZNXIXEK-ICSRJNTNSA-N 1 2 354.406 2.842 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[C@@H]([NH+]3CCCC3)C(F)(F)C1)C2 ZINC001254611694 1040839707 /nfs/dbraw/zinc/83/97/07/1040839707.db2.gz RNCZVGRZHLIZNA-IAGOWNOFSA-N 1 2 351.397 2.867 20 5 FFBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1C(=O)C[C@@H]1Cc1ccccc1 ZINC001261363902 1041185642 /nfs/dbraw/zinc/18/56/42/1041185642.db2.gz RLRLSFABCPTCNG-IBGZPJMESA-N 1 2 353.422 2.870 20 5 FFBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1C(=O)C[C@@H]1Cc1ccccc1 ZINC001261363902 1041185648 /nfs/dbraw/zinc/18/56/48/1041185648.db2.gz RLRLSFABCPTCNG-IBGZPJMESA-N 1 2 353.422 2.870 20 5 FFBDLO CN(CCc1ccccc1[N+](=O)[O-])c1nnc([C@H]2CCCC[N@@H+]2C)n1C ZINC001262904116 1041948705 /nfs/dbraw/zinc/94/87/05/1041948705.db2.gz HLLDDVJXLDXEPJ-MRXNPFEDSA-N 1 2 358.446 2.559 20 5 FFBDLO CN(CCc1ccccc1[N+](=O)[O-])c1nnc([C@H]2CCCC[N@H+]2C)n1C ZINC001262904116 1041948709 /nfs/dbraw/zinc/94/87/09/1041948709.db2.gz HLLDDVJXLDXEPJ-MRXNPFEDSA-N 1 2 358.446 2.559 20 5 FFBDLO CCc1onc(C)c1CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001538316929 1070405339 /nfs/dbraw/zinc/40/53/39/1070405339.db2.gz MWPGDYARBOIXIQ-UHFFFAOYSA-N 1 2 355.354 2.569 20 5 FFBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001311330230 1043888980 /nfs/dbraw/zinc/88/89/80/1043888980.db2.gz GZWHLNAOIMTYHZ-AWEZNQCLSA-N 1 2 372.425 2.932 20 5 FFBDLO COc1ccc(NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC001320117201 1045351562 /nfs/dbraw/zinc/35/15/62/1045351562.db2.gz VQFWIUQQKXVVAA-ZDUSSCGKSA-N 1 2 373.413 2.824 20 5 FFBDLO O=C(NCc1cc2cnccc2o1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001302829720 1051206265 /nfs/dbraw/zinc/20/62/65/1051206265.db2.gz UUYVUALEMNONSM-UHFFFAOYSA-N 1 2 363.333 2.852 20 5 FFBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001343039740 1051655304 /nfs/dbraw/zinc/65/53/04/1051655304.db2.gz PAHNMFUGLZZVND-JSGCOSHPSA-N 1 2 360.389 2.582 20 5 FFBDLO O=C(Cc1ccccc1)OCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001307413979 1052305329 /nfs/dbraw/zinc/30/53/29/1052305329.db2.gz CLOSSQOQMNPSQP-UHFFFAOYSA-N 1 2 369.421 2.503 20 5 FFBDLO COc1ccc(NC(=O)NCCc2cn3cccc(C)c3[nH+]2)c([N+](=O)[O-])c1 ZINC001344472571 1052788383 /nfs/dbraw/zinc/78/83/83/1052788383.db2.gz KALTWNUODHXFLN-UHFFFAOYSA-N 1 2 369.381 2.924 20 5 FFBDLO CC(=O)c1csc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC001352411094 1055449784 /nfs/dbraw/zinc/44/97/84/1055449784.db2.gz WOJVJKPBSRZJRK-UHFFFAOYSA-N 1 2 357.351 2.692 20 5 FFBDLO CCOc1ccc(C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)cc1[N+](=O)[O-] ZINC001544703706 1071680324 /nfs/dbraw/zinc/68/03/24/1071680324.db2.gz GZPXIQNQZVGDQP-QGZVFWFLSA-N 1 2 355.394 2.910 20 5 FFBDLO CCOc1ccc(C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)cc1[N+](=O)[O-] ZINC001544703706 1071680326 /nfs/dbraw/zinc/68/03/26/1071680326.db2.gz GZPXIQNQZVGDQP-QGZVFWFLSA-N 1 2 355.394 2.910 20 5 FFBDLO COc1ccc(O)c(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c1 ZINC001447052282 1058591954 /nfs/dbraw/zinc/59/19/54/1058591954.db2.gz VDUQAZZUBZJJNQ-UHFFFAOYSA-N 1 2 354.322 2.747 20 5 FFBDLO CN(C)c1[nH+]ccc2cc(NC(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)ccc21 ZINC001449812504 1058940881 /nfs/dbraw/zinc/94/08/81/1058940881.db2.gz DHEJNNJRKJNTPE-KRWDZBQOSA-N 1 2 366.377 2.881 20 5 FFBDLO Cn1c(C[NH+]2CCCCC2)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001519970261 1059258612 /nfs/dbraw/zinc/25/86/12/1059258612.db2.gz FZIQVNRENHUFTF-UHFFFAOYSA-N 1 2 370.457 2.878 20 5 FFBDLO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001454269502 1059479684 /nfs/dbraw/zinc/47/96/84/1059479684.db2.gz VTRJXVIAOZFLFM-MRXNPFEDSA-N 1 2 361.785 2.741 20 5 FFBDLO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000848483666 1060126199 /nfs/dbraw/zinc/12/61/99/1060126199.db2.gz NIBQIXDTXAEJPA-LSDHHAIUSA-N 1 2 369.368 2.572 20 5 FFBDLO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000848483666 1060126203 /nfs/dbraw/zinc/12/62/03/1060126203.db2.gz NIBQIXDTXAEJPA-LSDHHAIUSA-N 1 2 369.368 2.572 20 5 FFBDLO O=[N+]([O-])c1cccc(Br)c1N1CC[NH+](CCCCCO)CC1 ZINC001458511492 1060609844 /nfs/dbraw/zinc/60/98/44/1060609844.db2.gz CVKSMIWDRRPCOJ-UHFFFAOYSA-N 1 2 372.263 2.642 20 5 FFBDLO CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1ccc2c(c1)OCO2 ZINC001526022096 1060970275 /nfs/dbraw/zinc/97/02/75/1060970275.db2.gz IZEFEBOAWDLIJR-UHFFFAOYSA-N 1 2 366.333 2.786 20 5 FFBDLO C[C@@H](Cc1ccccn1)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001526816622 1061276845 /nfs/dbraw/zinc/27/68/45/1061276845.db2.gz IRATZDUEGCLKFT-ZDUSSCGKSA-N 1 2 351.366 2.537 20 5 FFBDLO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)cc1[N+](=O)[O-] ZINC001438584255 1063021184 /nfs/dbraw/zinc/02/11/84/1063021184.db2.gz WRXFDAGZSSBZLF-KRWDZBQOSA-N 1 2 370.365 2.728 20 5 FFBDLO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)cc1[N+](=O)[O-] ZINC001438584255 1063021204 /nfs/dbraw/zinc/02/12/04/1063021204.db2.gz WRXFDAGZSSBZLF-KRWDZBQOSA-N 1 2 370.365 2.728 20 5 FFBDLO O=C(OCC1CN(c2cccc[nH+]2)C1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001525874730 1063445340 /nfs/dbraw/zinc/44/53/40/1063445340.db2.gz XWDAXAMGTZQMLY-SJORKVTESA-N 1 2 353.378 2.773 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2)C1 ZINC001473183838 1065215806 /nfs/dbraw/zinc/21/58/06/1065215806.db2.gz FKBKMKRPDXDWFF-QGZVFWFLSA-N 1 2 369.421 2.998 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](NC(=O)c2ccccc2)C1 ZINC001473183838 1065215814 /nfs/dbraw/zinc/21/58/14/1065215814.db2.gz FKBKMKRPDXDWFF-QGZVFWFLSA-N 1 2 369.421 2.998 20 5 FFBDLO CCOCCOCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Br ZINC001473390041 1065253586 /nfs/dbraw/zinc/25/35/86/1065253586.db2.gz BJYRFWWKUFDJRL-UHFFFAOYSA-N 1 2 361.236 2.842 20 5 FFBDLO CCOCCOCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Br ZINC001473390041 1065253596 /nfs/dbraw/zinc/25/35/96/1065253596.db2.gz BJYRFWWKUFDJRL-UHFFFAOYSA-N 1 2 361.236 2.842 20 5 FFBDLO C[C@H]([NH2+][C@H](CO)c1cc(F)ccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001473884508 1065405665 /nfs/dbraw/zinc/40/56/65/1065405665.db2.gz KBXPLLVXZRQBLC-MGPLVRAMSA-N 1 2 365.336 2.523 20 5 FFBDLO COc1cc(CNc2cc(CSCCO)cc[nH+]2)c([N+](=O)[O-])cc1O ZINC001474103425 1065457135 /nfs/dbraw/zinc/45/71/35/1065457135.db2.gz ZAQOVSONHNPSSU-UHFFFAOYSA-N 1 2 365.411 2.542 20 5 FFBDLO C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1noc(Cc2ccccc2)n1 ZINC001474474359 1065531827 /nfs/dbraw/zinc/53/18/27/1065531827.db2.gz MKWGROZGAVDVBG-GRTSSRMGSA-N 1 2 368.397 2.819 20 5 FFBDLO O=C(N[C@@H]1CCc2ccc(O)cc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001584973939 1079410350 /nfs/dbraw/zinc/41/03/50/1079410350.db2.gz UFUYQDDWMLHUGT-MRXNPFEDSA-N 1 2 364.361 2.903 20 5 FFBDLO O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccc2[nH+]ccn2c1 ZINC001585376063 1079457017 /nfs/dbraw/zinc/45/70/17/1079457017.db2.gz IAJKSLWDFSTLPG-UHFFFAOYSA-N 1 2 363.333 2.808 20 5 FFBDLO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCCn1c[nH+]cc1-c1ccccc1 ZINC001557760349 1075885327 /nfs/dbraw/zinc/88/53/27/1075885327.db2.gz XDESZQIKLZEGSP-UHFFFAOYSA-N 1 2 368.368 2.956 20 5 FFBDLO COc1c(F)nccc1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001585977366 1079520805 /nfs/dbraw/zinc/52/08/05/1079520805.db2.gz FQLHDLLTJBIDFA-UHFFFAOYSA-N 1 2 357.301 2.576 20 5 FFBDLO C[C@H]([NH2+][C@@H](C)c1c(F)cncc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000285695224 257000315 /nfs/dbraw/zinc/00/03/15/257000315.db2.gz OAGGLIYHZRVEIG-UWVGGRQHSA-N 1 2 350.325 2.946 20 5 FFBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000057020974 205233897 /nfs/dbraw/zinc/23/38/97/205233897.db2.gz GHBLIWZZYAPYPO-UHFFFAOYSA-N 1 2 372.406 2.567 20 5 FFBDLO COCCOC1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000093339423 250029006 /nfs/dbraw/zinc/02/90/06/250029006.db2.gz FTXIDWAZTGIBQJ-UHFFFAOYSA-N 1 2 373.247 2.985 20 5 FFBDLO COc1cc(C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C2CC2)ccc1O ZINC000102176113 250103518 /nfs/dbraw/zinc/10/35/18/250103518.db2.gz ROEHYRBEGPACCR-UHFFFAOYSA-N 1 2 371.393 2.912 20 5 FFBDLO COc1cc(C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C2CC2)ccc1O ZINC000102176113 250103521 /nfs/dbraw/zinc/10/35/21/250103521.db2.gz ROEHYRBEGPACCR-UHFFFAOYSA-N 1 2 371.393 2.912 20 5 FFBDLO O=C(c1cc(NCCNc2cccc[nH+]2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000117500064 250349390 /nfs/dbraw/zinc/34/93/90/250349390.db2.gz NCOQTNQLMMHVAP-UHFFFAOYSA-N 1 2 355.398 2.750 20 5 FFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](Cc2ccncc2)CC1 ZINC000117745903 250358040 /nfs/dbraw/zinc/35/80/40/250358040.db2.gz LKFSWWKMZWRDRS-UHFFFAOYSA-N 1 2 374.828 2.530 20 5 FFBDLO Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)n1 ZINC000272389206 252026667 /nfs/dbraw/zinc/02/66/67/252026667.db2.gz CPCOKZUXLZDKBL-UHFFFAOYSA-N 1 2 366.381 2.780 20 5 FFBDLO Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C1)CCCC2 ZINC000275766262 256046213 /nfs/dbraw/zinc/04/62/13/256046213.db2.gz VMEHYXPQNJUKHE-CQSZACIVSA-N 1 2 370.409 2.771 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000276367918 256093894 /nfs/dbraw/zinc/09/38/94/256093894.db2.gz CGCGLEVEOFQHRD-SUMWQHHRSA-N 1 2 373.413 2.987 20 5 FFBDLO COC[C@@H]1CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)O1 ZINC000276070929 256070638 /nfs/dbraw/zinc/07/06/38/256070638.db2.gz SLTVBIGCBJHDCL-BBRMVZONSA-N 1 2 358.398 2.600 20 5 FFBDLO COC(=O)[C@H]1CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000276543588 256108967 /nfs/dbraw/zinc/10/89/67/256108967.db2.gz YCGKRSBWLWJDCJ-JQWIXIFHSA-N 1 2 371.231 2.988 20 5 FFBDLO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000276543588 256108968 /nfs/dbraw/zinc/10/89/68/256108968.db2.gz YCGKRSBWLWJDCJ-JQWIXIFHSA-N 1 2 371.231 2.988 20 5 FFBDLO COC(=O)[C@@H]1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1C ZINC000276911744 256141945 /nfs/dbraw/zinc/14/19/45/256141945.db2.gz NQHUUQIZPCZYSY-BLLLJJGKSA-N 1 2 370.409 2.996 20 5 FFBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000277518516 256206963 /nfs/dbraw/zinc/20/69/63/256206963.db2.gz KIOQOOQXBZYASS-UHFFFAOYSA-N 1 2 362.434 2.753 20 5 FFBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000277518516 256206964 /nfs/dbraw/zinc/20/69/64/256206964.db2.gz KIOQOOQXBZYASS-UHFFFAOYSA-N 1 2 362.434 2.753 20 5 FFBDLO CCc1cc(N2CC[S@@](=O)C[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000277564764 256212099 /nfs/dbraw/zinc/21/20/99/256212099.db2.gz ARUZJMCWZJOGRS-WHDAMIPWSA-N 1 2 374.466 2.819 20 5 FFBDLO COc1ccc(C[NH2+]Cc2c(Br)c(C)nn2C)cc1[N+](=O)[O-] ZINC000279224485 256395581 /nfs/dbraw/zinc/39/55/81/256395581.db2.gz XUHSHGIMXLVRGI-UHFFFAOYSA-N 1 2 369.219 2.698 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3nccn3CC(F)(F)F)nc2c1 ZINC000278799908 256349290 /nfs/dbraw/zinc/34/92/90/256349290.db2.gz XRAIBIGNULEGCM-UHFFFAOYSA-N 1 2 354.292 2.520 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(CNCc3[nH+]ccn3CC(F)(F)F)nc2c1 ZINC000278799908 256349292 /nfs/dbraw/zinc/34/92/92/256349292.db2.gz XRAIBIGNULEGCM-UHFFFAOYSA-N 1 2 354.292 2.520 20 5 FFBDLO C[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N1CCCC1 ZINC000281311689 256626350 /nfs/dbraw/zinc/62/63/50/256626350.db2.gz JWQRHNSBXAVYIZ-LBPRGKRZSA-N 1 2 360.439 2.819 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000287413721 257088068 /nfs/dbraw/zinc/08/80/68/257088068.db2.gz DGUNVVKKWOXVAP-CABCVRRESA-N 1 2 362.430 2.539 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1-c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000289315144 257273829 /nfs/dbraw/zinc/27/38/29/257273829.db2.gz XVXNJZFSPYKYEU-IUODEOHRSA-N 1 2 360.370 2.579 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1-c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000289315144 257273831 /nfs/dbraw/zinc/27/38/31/257273831.db2.gz XVXNJZFSPYKYEU-IUODEOHRSA-N 1 2 360.370 2.579 20 5 FFBDLO Cc1cc(OCc2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)ccc1[N+](=O)[O-] ZINC000289085775 257255138 /nfs/dbraw/zinc/25/51/38/257255138.db2.gz JYKZWNMZGCODIA-XJKSGUPXSA-N 1 2 374.397 2.791 20 5 FFBDLO Cc1cc(OCc2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)ccc1[N+](=O)[O-] ZINC000289085775 257255139 /nfs/dbraw/zinc/25/51/39/257255139.db2.gz JYKZWNMZGCODIA-XJKSGUPXSA-N 1 2 374.397 2.791 20 5 FFBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000289794072 257299766 /nfs/dbraw/zinc/29/97/66/257299766.db2.gz MVYIAKVKWTZOMH-AWEZNQCLSA-N 1 2 355.398 2.953 20 5 FFBDLO O=[N+]([O-])c1cnc2ccccc2c1NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000291663677 257416082 /nfs/dbraw/zinc/41/60/82/257416082.db2.gz PBMZIAZYBWRFPL-UHFFFAOYSA-N 1 2 365.393 2.987 20 5 FFBDLO O=C(C[NH+]1CCC(CO)(c2ccccc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000293221087 257537447 /nfs/dbraw/zinc/53/74/47/257537447.db2.gz GUGNJKWQYJMBKZ-UHFFFAOYSA-N 1 2 369.421 2.559 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1N1CC[NH+](CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000301155149 258029971 /nfs/dbraw/zinc/02/99/71/258029971.db2.gz FVCXUGJODQURPD-HZPDHXFCSA-N 1 2 374.485 2.530 20 5 FFBDLO Cc1nn(C)c(N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c1[N+](=O)[O-] ZINC000301267590 258038124 /nfs/dbraw/zinc/03/81/24/258038124.db2.gz PYVWMPBZTODMRG-GFCCVEGCSA-N 1 2 365.384 2.991 20 5 FFBDLO Cc1nn(C)c(N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c1[N+](=O)[O-] ZINC000301267590 258038125 /nfs/dbraw/zinc/03/81/25/258038125.db2.gz PYVWMPBZTODMRG-GFCCVEGCSA-N 1 2 365.384 2.991 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000299613863 258010124 /nfs/dbraw/zinc/01/01/24/258010124.db2.gz JAWZNSNGXHZRJH-UHFFFAOYSA-N 1 2 369.421 2.665 20 5 FFBDLO C[N@@H+]1CCO[C@@H]([C@@H](Nc2ncc([N+](=O)[O-])cn2)c2ccc(Cl)cc2)C1 ZINC000302239533 258097301 /nfs/dbraw/zinc/09/73/01/258097301.db2.gz XBNVTOBYNYAXHF-CABCVRRESA-N 1 2 363.805 2.522 20 5 FFBDLO C[N@H+]1CCO[C@@H]([C@@H](Nc2ncc([N+](=O)[O-])cn2)c2ccc(Cl)cc2)C1 ZINC000302239533 258097302 /nfs/dbraw/zinc/09/73/02/258097302.db2.gz XBNVTOBYNYAXHF-CABCVRRESA-N 1 2 363.805 2.522 20 5 FFBDLO O=[N+]([O-])c1cnc(N2CCC(n3cc[nH+]c3)CC2)c(Br)c1 ZINC000301552435 258055457 /nfs/dbraw/zinc/05/54/57/258055457.db2.gz RGZGGPIBJHXJED-UHFFFAOYSA-N 1 2 352.192 2.790 20 5 FFBDLO Cc1c[nH+]ccc1CCNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000301851481 258070727 /nfs/dbraw/zinc/07/07/27/258070727.db2.gz 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361.329 2.533 20 5 FFBDLO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccccc1F ZINC000024818608 507440474 /nfs/dbraw/zinc/44/04/74/507440474.db2.gz VEWQXATTYJPHDL-UHFFFAOYSA-N 1 2 361.329 2.533 20 5 FFBDLO COc1cc(C[N@H+](C)Cc2cnn(C)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000027363467 507651120 /nfs/dbraw/zinc/65/11/20/507651120.db2.gz YAOLZNCSVXLLFT-UHFFFAOYSA-N 1 2 356.329 2.570 20 5 FFBDLO COc1cc(C[N@@H+](C)Cc2cnn(C)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000027363467 507651123 /nfs/dbraw/zinc/65/11/23/507651123.db2.gz YAOLZNCSVXLLFT-UHFFFAOYSA-N 1 2 356.329 2.570 20 5 FFBDLO CCOC[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000070920754 507660314 /nfs/dbraw/zinc/66/03/14/507660314.db2.gz RTLAZIPSVBGMDC-AWEZNQCLSA-N 1 2 358.398 2.669 20 5 FFBDLO C[C@H](C1CC1)N(C(=O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC000051374171 507765275 /nfs/dbraw/zinc/76/52/75/507765275.db2.gz MHKCLLXSGHVDPY-OAHLLOKOSA-N 1 2 372.469 2.506 20 5 FFBDLO 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ZINC000088605358 508378417 /nfs/dbraw/zinc/37/84/17/508378417.db2.gz YKXAMGPRBBIDGT-UHFFFAOYSA-N 1 2 365.433 2.801 20 5 FFBDLO COc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606596 508379150 /nfs/dbraw/zinc/37/91/50/508379150.db2.gz SCNXIXVODYAZMQ-CQSZACIVSA-N 1 2 369.421 2.666 20 5 FFBDLO COc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606596 508379152 /nfs/dbraw/zinc/37/91/52/508379152.db2.gz SCNXIXVODYAZMQ-CQSZACIVSA-N 1 2 369.421 2.666 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000089155373 508390099 /nfs/dbraw/zinc/39/00/99/508390099.db2.gz LQAYLOKHLHLRRF-ZWKOTPCHSA-N 1 2 350.415 2.762 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000089155373 508390101 /nfs/dbraw/zinc/39/01/01/508390101.db2.gz LQAYLOKHLHLRRF-ZWKOTPCHSA-N 1 2 350.415 2.762 20 5 FFBDLO COC(=O)C[C@@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000127211989 508415184 /nfs/dbraw/zinc/41/51/84/508415184.db2.gz WHDDTTOROFYJTH-MRXNPFEDSA-N 1 2 360.366 2.619 20 5 FFBDLO COC(=O)C[C@@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000127211989 508415187 /nfs/dbraw/zinc/41/51/87/508415187.db2.gz WHDDTTOROFYJTH-MRXNPFEDSA-N 1 2 360.366 2.619 20 5 FFBDLO Cc1cc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc([N+](=O)[O-])c1 ZINC000121865581 508435895 /nfs/dbraw/zinc/43/58/95/508435895.db2.gz JMMNHQSRIKFKKA-IBGZPJMESA-N 1 2 369.421 2.534 20 5 FFBDLO Cc1cc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc([N+](=O)[O-])c1 ZINC000121865581 508435899 /nfs/dbraw/zinc/43/58/99/508435899.db2.gz JMMNHQSRIKFKKA-IBGZPJMESA-N 1 2 369.421 2.534 20 5 FFBDLO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000122081629 508478881 /nfs/dbraw/zinc/47/88/81/508478881.db2.gz OFVKLXSAFOQDPU-GOEBONIOSA-N 1 2 369.425 2.937 20 5 FFBDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000122588212 508558187 /nfs/dbraw/zinc/55/81/87/508558187.db2.gz BDIDWQZERIMBNV-HNNXBMFYSA-N 1 2 360.439 2.771 20 5 FFBDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000122588212 508558191 /nfs/dbraw/zinc/55/81/91/508558191.db2.gz BDIDWQZERIMBNV-HNNXBMFYSA-N 1 2 360.439 2.771 20 5 FFBDLO CCn1c2ccc(F)cc2[nH+]c1Cn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000153598730 508605080 /nfs/dbraw/zinc/60/50/80/508605080.db2.gz QTBIDDWHYXCZFH-UHFFFAOYSA-N 1 2 350.737 2.967 20 5 FFBDLO CCOC(=O)c1ccnc(NCCc2[nH]c3ccc(F)cc3[nH+]2)c1[N+](=O)[O-] ZINC000128678801 508628405 /nfs/dbraw/zinc/62/84/05/508628405.db2.gz XWVVDABVPBVNML-UHFFFAOYSA-N 1 2 373.344 2.837 20 5 FFBDLO Cc1ncc(C[NH+]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)s1 ZINC000153717320 508633351 /nfs/dbraw/zinc/63/33/51/508633351.db2.gz LVFJZMMVSUCSRP-UHFFFAOYSA-N 1 2 353.835 2.730 20 5 FFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1F)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000129817211 508769783 /nfs/dbraw/zinc/76/97/83/508769783.db2.gz POYOAPJQHVUKMX-UHFFFAOYSA-N 1 2 368.368 2.838 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000130842785 508854321 /nfs/dbraw/zinc/85/43/21/508854321.db2.gz GWFGIJWURVVQLK-UHFFFAOYSA-N 1 2 355.394 2.567 20 5 FFBDLO COc1ccccc1CNC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130953421 508869203 /nfs/dbraw/zinc/86/92/03/508869203.db2.gz MCECQEBBJPPHHY-UHFFFAOYSA-N 1 2 369.421 2.884 20 5 FFBDLO COc1ccccc1CNC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130953421 508869205 /nfs/dbraw/zinc/86/92/05/508869205.db2.gz MCECQEBBJPPHHY-UHFFFAOYSA-N 1 2 369.421 2.884 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccncc2)c([N+](=O)[O-])c1 ZINC000125384143 508975840 /nfs/dbraw/zinc/97/58/40/508975840.db2.gz NZOJQLHKEYALQE-MRXNPFEDSA-N 1 2 356.382 2.774 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccncc2)c([N+](=O)[O-])c1 ZINC000125384143 508975844 /nfs/dbraw/zinc/97/58/44/508975844.db2.gz NZOJQLHKEYALQE-MRXNPFEDSA-N 1 2 356.382 2.774 20 5 FFBDLO COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000125766907 509027508 /nfs/dbraw/zinc/02/75/08/509027508.db2.gz IUQYGSWFFHOHHB-CVEARBPZSA-N 1 2 360.366 2.617 20 5 FFBDLO COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000125766907 509027511 /nfs/dbraw/zinc/02/75/11/509027511.db2.gz IUQYGSWFFHOHHB-CVEARBPZSA-N 1 2 360.366 2.617 20 5 FFBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000120639066 509036862 /nfs/dbraw/zinc/03/68/62/509036862.db2.gz ZJGXAFUEPLUCKW-AWEZNQCLSA-N 1 2 374.466 2.902 20 5 FFBDLO Cc1c(CC(=O)NCc2ccc(N3CCCC3)[nH+]c2)cccc1[N+](=O)[O-] ZINC000160950589 509052280 /nfs/dbraw/zinc/05/22/80/509052280.db2.gz OWMGMHURXYFRHU-UHFFFAOYSA-N 1 2 354.410 2.757 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@@H](Oc4ccncc4)C3)n2)c1 ZINC000156336822 509161952 /nfs/dbraw/zinc/16/19/52/509161952.db2.gz MDBYNDGRZBIGDQ-MRXNPFEDSA-N 1 2 367.365 2.693 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@@H](Oc4ccncc4)C3)n2)c1 ZINC000156336822 509161956 /nfs/dbraw/zinc/16/19/56/509161956.db2.gz MDBYNDGRZBIGDQ-MRXNPFEDSA-N 1 2 367.365 2.693 20 5 FFBDLO O=C1[C@H]([NH+]2CCN(c3cccs3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000121425021 509173258 /nfs/dbraw/zinc/17/32/58/509173258.db2.gz VPVBZMAUGBPPCF-MRXNPFEDSA-N 1 2 372.450 2.584 20 5 FFBDLO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1OC ZINC000263960597 509248772 /nfs/dbraw/zinc/24/87/72/509248772.db2.gz WWAUNTJJTCMKKH-GFCCVEGCSA-N 1 2 374.397 2.745 20 5 FFBDLO C[N@H+](CC(=O)[O-])[C@H]1CCC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000192011169 509294023 /nfs/dbraw/zinc/29/40/23/509294023.db2.gz HUVITGCJOCJEKW-AWEZNQCLSA-N 1 2 355.822 2.619 20 5 FFBDLO C[N@@H+](CC(=O)[O-])[C@H]1CCC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000192011169 509294029 /nfs/dbraw/zinc/29/40/29/509294029.db2.gz HUVITGCJOCJEKW-AWEZNQCLSA-N 1 2 355.822 2.619 20 5 FFBDLO C[NH+](CC(=O)[O-])[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000192011169 509294038 /nfs/dbraw/zinc/29/40/38/509294038.db2.gz HUVITGCJOCJEKW-AWEZNQCLSA-N 1 2 355.822 2.619 20 5 FFBDLO C[NH+](CC(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000192011169 509294047 /nfs/dbraw/zinc/29/40/47/509294047.db2.gz HUVITGCJOCJEKW-AWEZNQCLSA-N 1 2 355.822 2.619 20 5 FFBDLO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)CO1 ZINC000248466749 509334451 /nfs/dbraw/zinc/33/44/51/509334451.db2.gz SMYALAAXMIJQMP-SZVBFZGTSA-N 1 2 372.421 2.797 20 5 FFBDLO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)CO1 ZINC000248466749 509334454 /nfs/dbraw/zinc/33/44/54/509334454.db2.gz SMYALAAXMIJQMP-SZVBFZGTSA-N 1 2 372.421 2.797 20 5 FFBDLO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1O ZINC000185792425 509358201 /nfs/dbraw/zinc/35/82/01/509358201.db2.gz SUOPAKSQDAKPFX-UHFFFAOYSA-N 1 2 371.393 2.509 20 5 FFBDLO CCC(CC)[C@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000173064177 509374945 /nfs/dbraw/zinc/37/49/45/509374945.db2.gz NUYNQBLXZZSBGJ-GOSISDBHSA-N 1 2 363.458 2.690 20 5 FFBDLO COc1cccc2c1CC[N@@H+]([C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000182708195 509385197 /nfs/dbraw/zinc/38/51/97/509385197.db2.gz HWEUXUHQYGHABC-ZDUSSCGKSA-N 1 2 355.394 2.989 20 5 FFBDLO COc1cccc2c1CC[N@H+]([C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000182708195 509385203 /nfs/dbraw/zinc/38/52/03/509385203.db2.gz HWEUXUHQYGHABC-ZDUSSCGKSA-N 1 2 355.394 2.989 20 5 FFBDLO COc1cc(C[N@H+](C)[C@H]2CCCC[C@H]2S(C)(=O)=O)c([N+](=O)[O-])cc1F ZINC000248626402 509397940 /nfs/dbraw/zinc/39/79/40/509397940.db2.gz OJEMVBMCMXVZAO-XJKSGUPXSA-N 1 2 374.434 2.530 20 5 FFBDLO COc1cc(C[N@@H+](C)[C@H]2CCCC[C@H]2S(C)(=O)=O)c([N+](=O)[O-])cc1F ZINC000248626402 509397946 /nfs/dbraw/zinc/39/79/46/509397946.db2.gz OJEMVBMCMXVZAO-XJKSGUPXSA-N 1 2 374.434 2.530 20 5 FFBDLO CCOc1cc(N2CC[NH+](Cc3nc(C)c(C)o3)CC2)ccc1[N+](=O)[O-] ZINC000267253991 509412525 /nfs/dbraw/zinc/41/25/25/509412525.db2.gz VBUZPMLTPUPGAI-UHFFFAOYSA-N 1 2 360.414 2.921 20 5 FFBDLO C[C@@H](c1cccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)c1)[NH+]1CCOCC1 ZINC000264303304 509445348 /nfs/dbraw/zinc/44/53/48/509445348.db2.gz XTRZRMDKNFCVCH-ZDUSSCGKSA-N 1 2 370.409 2.823 20 5 FFBDLO C[C@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)Cn1cc[nH+]c1 ZINC000176385922 509480345 /nfs/dbraw/zinc/48/03/45/509480345.db2.gz UHFKHPSNEBZCFX-GFCCVEGCSA-N 1 2 371.422 2.981 20 5 FFBDLO CC[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CCS(=O)(=O)C1 ZINC000179597379 509529058 /nfs/dbraw/zinc/52/90/58/509529058.db2.gz HOCFEOCPZVIRRW-ZDUSSCGKSA-N 1 2 364.423 2.864 20 5 FFBDLO CC[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CCS(=O)(=O)C1 ZINC000179597379 509529064 /nfs/dbraw/zinc/52/90/64/509529064.db2.gz HOCFEOCPZVIRRW-ZDUSSCGKSA-N 1 2 364.423 2.864 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCO[C@H](c2ccco2)C1 ZINC000176724584 509659023 /nfs/dbraw/zinc/65/90/23/509659023.db2.gz AGNWDCVJVWGHCK-KRWDZBQOSA-N 1 2 368.349 2.587 20 5 FFBDLO COc1ccc([C@H](CO)[N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000264908897 509768861 /nfs/dbraw/zinc/76/88/61/509768861.db2.gz JIKGYKUMVDOEHP-SFHVURJKSA-N 1 2 374.393 2.635 20 5 FFBDLO COc1ccc([C@H](CO)[N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000264908897 509768865 /nfs/dbraw/zinc/76/88/65/509768865.db2.gz JIKGYKUMVDOEHP-SFHVURJKSA-N 1 2 374.393 2.635 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c([N+](=O)[O-])c1 ZINC000193577995 509972650 /nfs/dbraw/zinc/97/26/50/509972650.db2.gz XBFBHULDFJBPCS-CYBMUJFWSA-N 1 2 373.413 2.535 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c([N+](=O)[O-])c1 ZINC000193577995 509972656 /nfs/dbraw/zinc/97/26/56/509972656.db2.gz XBFBHULDFJBPCS-CYBMUJFWSA-N 1 2 373.413 2.535 20 5 FFBDLO Cn1cc[nH+]c1-c1cccc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000180808201 510121388 /nfs/dbraw/zinc/12/13/88/510121388.db2.gz IPCUWMKBPAJINX-UHFFFAOYSA-N 1 2 372.406 2.937 20 5 FFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000171394441 510130207 /nfs/dbraw/zinc/13/02/07/510130207.db2.gz JVNGGOXHJZIQEC-INIZCTEOSA-N 1 2 374.485 2.722 20 5 FFBDLO COc1cc(C[N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)ccc1O ZINC000174543497 510169028 /nfs/dbraw/zinc/16/90/28/510169028.db2.gz BIHFAPYMIICXSG-UHFFFAOYSA-N 1 2 370.365 2.991 20 5 FFBDLO COc1cc(C[N@@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)ccc1O ZINC000174543497 510169036 /nfs/dbraw/zinc/16/90/36/510169036.db2.gz BIHFAPYMIICXSG-UHFFFAOYSA-N 1 2 370.365 2.991 20 5 FFBDLO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000265857462 510265297 /nfs/dbraw/zinc/26/52/97/510265297.db2.gz JHIIIMIXKWOQEV-UHFFFAOYSA-N 1 2 364.423 2.509 20 5 FFBDLO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000265857462 510265302 /nfs/dbraw/zinc/26/53/02/510265302.db2.gz JHIIIMIXKWOQEV-UHFFFAOYSA-N 1 2 364.423 2.509 20 5 FFBDLO CCc1nc([C@H](C)[NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cs1 ZINC000184709119 510474973 /nfs/dbraw/zinc/47/49/73/510474973.db2.gz JWUJGJOMDKABKG-NSHDSACASA-N 1 2 360.439 2.854 20 5 FFBDLO C[C@@H](C(=O)N1CC[NH+](Cc2cccnc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000184785264 510515200 /nfs/dbraw/zinc/51/52/00/510515200.db2.gz DFBFLDTVGXAYLH-CQSZACIVSA-N 1 2 372.400 2.577 20 5 FFBDLO CC(C)(C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000269839622 510566031 /nfs/dbraw/zinc/56/60/31/510566031.db2.gz DZNAMAAGUHKHMB-HNNXBMFYSA-N 1 2 354.410 2.663 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000194910885 510585968 /nfs/dbraw/zinc/58/59/68/510585968.db2.gz DAWAGHZAINMNDZ-UHFFFAOYSA-N 1 2 356.382 2.696 20 5 FFBDLO Cc1ccc([C@H](C)[NH2+]Cc2csc(CC(=O)N(C)C)n2)cc1[N+](=O)[O-] ZINC000181827787 510614307 /nfs/dbraw/zinc/61/43/07/510614307.db2.gz FTPHGFGZMKPZDP-LBPRGKRZSA-N 1 2 362.455 2.841 20 5 FFBDLO C[C@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cccc([N+](=O)[O-])c1 ZINC000178733501 510744924 /nfs/dbraw/zinc/74/49/24/510744924.db2.gz WETBIGYLNKGBII-DZGCQCFKSA-N 1 2 355.398 2.629 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1CS(=O)(=O)Cc1ccc(C)[nH+]c1C ZINC000185229902 510760577 /nfs/dbraw/zinc/76/05/77/510760577.db2.gz IJHSUNHLJITUGS-UHFFFAOYSA-N 1 2 350.396 2.730 20 5 FFBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000182153932 510783933 /nfs/dbraw/zinc/78/39/33/510783933.db2.gz DDSAWCRDSYRKON-CQSZACIVSA-N 1 2 367.405 2.874 20 5 FFBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000182153932 510783935 /nfs/dbraw/zinc/78/39/35/510783935.db2.gz DDSAWCRDSYRKON-CQSZACIVSA-N 1 2 367.405 2.874 20 5 FFBDLO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000195345209 510795219 /nfs/dbraw/zinc/79/52/19/510795219.db2.gz UPHCADLUCHGZQQ-INIZCTEOSA-N 1 2 359.430 2.605 20 5 FFBDLO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1nc(Cc2ccccc2)no1 ZINC000185417325 510839958 /nfs/dbraw/zinc/83/99/58/510839958.db2.gz LWTJZJKQLIJICT-GUYCJALGSA-N 1 2 368.393 2.953 20 5 FFBDLO COc1cc(C[N@@H+]2CCCC3(C2)OCCO3)c([N+](=O)[O-])cc1OC(F)F ZINC000270476044 510881657 /nfs/dbraw/zinc/88/16/57/510881657.db2.gz DKXYKITWYUZFRG-UHFFFAOYSA-N 1 2 374.340 2.544 20 5 FFBDLO COc1cc(C[N@H+]2CCCC3(C2)OCCO3)c([N+](=O)[O-])cc1OC(F)F ZINC000270476044 510881660 /nfs/dbraw/zinc/88/16/60/510881660.db2.gz DKXYKITWYUZFRG-UHFFFAOYSA-N 1 2 374.340 2.544 20 5 FFBDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CCO2 ZINC000294089322 510951657 /nfs/dbraw/zinc/95/16/57/510951657.db2.gz LRFSVFCOLLKVIN-XHDPSFHLSA-N 1 2 360.332 2.993 20 5 FFBDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CCO2 ZINC000294089322 510951662 /nfs/dbraw/zinc/95/16/62/510951662.db2.gz LRFSVFCOLLKVIN-XHDPSFHLSA-N 1 2 360.332 2.993 20 5 FFBDLO C[C@@H](c1nnnn1-c1ccccc1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282542327 511019890 /nfs/dbraw/zinc/01/98/90/511019890.db2.gz WERPOBFBGNFQSW-AWEZNQCLSA-N 1 2 352.398 2.806 20 5 FFBDLO C[C@@H](c1nnnn1-c1ccccc1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282542327 511019893 /nfs/dbraw/zinc/01/98/93/511019893.db2.gz WERPOBFBGNFQSW-AWEZNQCLSA-N 1 2 352.398 2.806 20 5 FFBDLO O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CCC(n2cc[nH+]c2)CC1 ZINC000294573297 511108049 /nfs/dbraw/zinc/10/80/49/511108049.db2.gz OITVGWBKMXVMHK-UHFFFAOYSA-N 1 2 366.381 2.659 20 5 FFBDLO C[C@H]1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000295173559 511309096 /nfs/dbraw/zinc/30/90/96/511309096.db2.gz RXTVDQNEGDORDG-YOEHRIQHSA-N 1 2 370.409 2.864 20 5 FFBDLO CS(=O)(=O)C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000271769286 511317033 /nfs/dbraw/zinc/31/70/33/511317033.db2.gz IESUQMRWHZGGMU-INIZCTEOSA-N 1 2 352.387 2.609 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280159683 511356936 /nfs/dbraw/zinc/35/69/36/511356936.db2.gz BMCGSPHWYPNEOH-IYBDPMFKSA-N 1 2 367.405 2.504 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280159683 511356941 /nfs/dbraw/zinc/35/69/41/511356941.db2.gz BMCGSPHWYPNEOH-IYBDPMFKSA-N 1 2 367.405 2.504 20 5 FFBDLO O=C1CCc2cc([N+](=O)[O-])c(NCc3ccc(-n4cc[nH+]c4)nc3)cc2N1 ZINC000363109415 511360424 /nfs/dbraw/zinc/36/04/24/511360424.db2.gz UFHFNGCXBJZOLQ-UHFFFAOYSA-N 1 2 364.365 2.672 20 5 FFBDLO CC(=O)c1cc(NCc2ccc[nH+]c2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000283488996 511386770 /nfs/dbraw/zinc/38/67/70/511386770.db2.gz HSHNLLYLDAPFFQ-UHFFFAOYSA-N 1 2 356.382 2.641 20 5 FFBDLO C[C@@H]1[C@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000291938649 511398813 /nfs/dbraw/zinc/39/88/13/511398813.db2.gz UEVLNQCSIFQCIF-CZUORRHYSA-N 1 2 355.394 2.693 20 5 FFBDLO C[C@@H]1[C@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000291938649 511398819 /nfs/dbraw/zinc/39/88/19/511398819.db2.gz UEVLNQCSIFQCIF-CZUORRHYSA-N 1 2 355.394 2.693 20 5 FFBDLO CCOc1cc(N2CC[NH+]([C@H](C)c3cnccn3)CC2)ccc1[N+](=O)[O-] ZINC000280284030 511407498 /nfs/dbraw/zinc/40/74/98/511407498.db2.gz SRXYOTJFXXIZEJ-CQSZACIVSA-N 1 2 357.414 2.667 20 5 FFBDLO CCn1cc[nH+]c1CNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000295552259 511443639 /nfs/dbraw/zinc/44/36/39/511443639.db2.gz LZXIEDBIOSLRIR-UHFFFAOYSA-N 1 2 367.203 2.812 20 5 FFBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000280420858 511458850 /nfs/dbraw/zinc/45/88/50/511458850.db2.gz AMDBLLXCWDKRJG-OAHLLOKOSA-N 1 2 371.397 2.504 20 5 FFBDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccco2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000298999328 511479198 /nfs/dbraw/zinc/47/91/98/511479198.db2.gz SSZDRPYTRLLPGN-AWEZNQCLSA-N 1 2 358.398 2.776 20 5 FFBDLO CCn1cc([N+](=O)[O-])c(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)n1 ZINC000350052946 511710296 /nfs/dbraw/zinc/71/02/96/511710296.db2.gz SQFJVEGRSYGCHM-UHFFFAOYSA-N 1 2 351.326 2.714 20 5 FFBDLO COc1c(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cccc1[N+](=O)[O-] ZINC000350196684 511742400 /nfs/dbraw/zinc/74/24/00/511742400.db2.gz LKMYDQRDAJJXKF-BXUZGUMPSA-N 1 2 360.370 2.579 20 5 FFBDLO COc1c(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cccc1[N+](=O)[O-] ZINC000350196684 511742402 /nfs/dbraw/zinc/74/24/02/511742402.db2.gz LKMYDQRDAJJXKF-BXUZGUMPSA-N 1 2 360.370 2.579 20 5 FFBDLO CC(C)c1[nH+]c2c(n1C)CCN(c1nc3ccc([N+](=O)[O-])cc3c(=O)[nH]1)C2 ZINC000281279354 511786297 /nfs/dbraw/zinc/78/62/97/511786297.db2.gz XAGOHOYUWUFUCR-UHFFFAOYSA-N 1 2 368.397 2.663 20 5 FFBDLO COc1cc(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c([N+](=O)[O-])cc1F ZINC000274357893 511806732 /nfs/dbraw/zinc/80/67/32/511806732.db2.gz YRURRMWKACTRHH-GXFFZTMASA-N 1 2 352.284 2.630 20 5 FFBDLO COc1cc(C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c([N+](=O)[O-])cc1F ZINC000274357893 511806735 /nfs/dbraw/zinc/80/67/35/511806735.db2.gz YRURRMWKACTRHH-GXFFZTMASA-N 1 2 352.284 2.630 20 5 FFBDLO O=C1OCC[C@H]1CC[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284678511 511822053 /nfs/dbraw/zinc/82/20/53/511822053.db2.gz HIBQSRFEXYBERO-SNVBAGLBSA-N 1 2 369.215 2.669 20 5 FFBDLO O=C1OCC[C@H]1CC[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284678511 511822055 /nfs/dbraw/zinc/82/20/55/511822055.db2.gz HIBQSRFEXYBERO-SNVBAGLBSA-N 1 2 369.215 2.669 20 5 FFBDLO COC(=O)Cc1ccc(NCc2ccc(N3CCCC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000296673146 511846792 /nfs/dbraw/zinc/84/67/92/511846792.db2.gz ZRIZXYSPGJCULL-UHFFFAOYSA-N 1 2 370.409 2.918 20 5 FFBDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000366125355 511855036 /nfs/dbraw/zinc/85/50/36/511855036.db2.gz FVUJWDBPJVRGGD-CYBMUJFWSA-N 1 2 355.398 2.549 20 5 FFBDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000366125355 511855043 /nfs/dbraw/zinc/85/50/43/511855043.db2.gz FVUJWDBPJVRGGD-CYBMUJFWSA-N 1 2 355.398 2.549 20 5 FFBDLO C[NH+](C)CCOc1ccccc1-c1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000350659042 511858714 /nfs/dbraw/zinc/85/87/14/511858714.db2.gz PIVAVVTWFSPUAC-UHFFFAOYSA-N 1 2 370.365 2.958 20 5 FFBDLO CCC[C@H](C)C(=O)NCC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000293831340 512093927 /nfs/dbraw/zinc/09/39/27/512093927.db2.gz XAIAOIROADUGIA-YOEHRIQHSA-N 1 2 373.457 2.560 20 5 FFBDLO O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000371514249 512444022 /nfs/dbraw/zinc/44/40/22/512444022.db2.gz LMHWSNSVIHEEJO-QGZVFWFLSA-N 1 2 369.425 2.898 20 5 FFBDLO Cc1ccc([C@H]2COCC[N@@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000411269180 512553474 /nfs/dbraw/zinc/55/34/74/512553474.db2.gz BHVUFGQTVKDIDU-MRXNPFEDSA-N 1 2 359.382 2.898 20 5 FFBDLO Cc1ccc([C@H]2COCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000411269180 512553475 /nfs/dbraw/zinc/55/34/75/512553475.db2.gz BHVUFGQTVKDIDU-MRXNPFEDSA-N 1 2 359.382 2.898 20 5 FFBDLO COC(=O)C1([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCCCC1 ZINC000411437421 512636781 /nfs/dbraw/zinc/63/67/81/512636781.db2.gz ICXSEWLSXUHHKC-UHFFFAOYSA-N 1 2 363.414 2.779 20 5 FFBDLO CC[C@@H](NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000378264017 512664398 /nfs/dbraw/zinc/66/43/98/512664398.db2.gz JIWYLKHLOMVJRB-GDBMZVCRSA-N 1 2 357.414 2.979 20 5 FFBDLO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000372247744 512779614 /nfs/dbraw/zinc/77/96/14/512779614.db2.gz OFROKVSLKVITDM-MRXNPFEDSA-N 1 2 355.394 2.647 20 5 FFBDLO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000372247744 512779617 /nfs/dbraw/zinc/77/96/17/512779617.db2.gz OFROKVSLKVITDM-MRXNPFEDSA-N 1 2 355.394 2.647 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411920262 512875415 /nfs/dbraw/zinc/87/54/15/512875415.db2.gz CDBMBQQHXOCJRH-WMZOPIPTSA-N 1 2 355.394 2.650 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411920262 512875419 /nfs/dbraw/zinc/87/54/19/512875419.db2.gz CDBMBQQHXOCJRH-WMZOPIPTSA-N 1 2 355.394 2.650 20 5 FFBDLO CC(=O)c1ccc2c(c1)C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000411920404 512876006 /nfs/dbraw/zinc/87/60/06/512876006.db2.gz GMVRPELWJMFNDK-GOSISDBHSA-N 1 2 356.378 2.553 20 5 FFBDLO CC(=O)c1ccc2c(c1)C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000411920404 512876010 /nfs/dbraw/zinc/87/60/10/512876010.db2.gz GMVRPELWJMFNDK-GOSISDBHSA-N 1 2 356.378 2.553 20 5 FFBDLO CC(C)c1n[nH]c(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1[N+](=O)[O-] ZINC000433706172 513133680 /nfs/dbraw/zinc/13/36/80/513133680.db2.gz CZRLBPGPDRRAPS-UHFFFAOYSA-N 1 2 368.397 2.616 20 5 FFBDLO O=[N+]([O-])c1ccc(NCc2ccccc2OCC[NH+]2CCOCC2)cc1 ZINC000433768790 513146212 /nfs/dbraw/zinc/14/62/12/513146212.db2.gz MKBZMNSFEUGHEQ-UHFFFAOYSA-N 1 2 357.410 2.918 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCOCC12CCCC2 ZINC000450490346 513218416 /nfs/dbraw/zinc/21/84/16/513218416.db2.gz SQHNINAGJULWAO-UHFFFAOYSA-N 1 2 356.382 2.566 20 5 FFBDLO C[C@@H]1C[C@@H](CCNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCO1 ZINC000450560113 513251877 /nfs/dbraw/zinc/25/18/77/513251877.db2.gz SNVZLZADYQCVRE-KGLIPLIRSA-N 1 2 358.398 2.716 20 5 FFBDLO COc1ccc(Br)c(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000429292689 513332368 /nfs/dbraw/zinc/33/23/68/513332368.db2.gz JNJLWLJYBARJIJ-UHFFFAOYSA-N 1 2 369.219 2.694 20 5 FFBDLO COc1ccc(Br)c(C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000429292689 513332374 /nfs/dbraw/zinc/33/23/74/513332374.db2.gz JNJLWLJYBARJIJ-UHFFFAOYSA-N 1 2 369.219 2.694 20 5 FFBDLO CC(C)(O)C(C)(C)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000450897065 513388657 /nfs/dbraw/zinc/38/86/57/513388657.db2.gz PZNQHYWQTOKLOE-UHFFFAOYSA-N 1 2 351.447 2.636 20 5 FFBDLO CCNc1ccc(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000429527828 513399041 /nfs/dbraw/zinc/39/90/41/513399041.db2.gz NPWPAFZOPZPUMN-UHFFFAOYSA-N 1 2 357.414 2.832 20 5 FFBDLO COc1cc(N(CC[NH+]2CCOCC2)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000450933624 513410918 /nfs/dbraw/zinc/41/09/18/513410918.db2.gz CFJDUVNGCOKLPV-UHFFFAOYSA-N 1 2 361.398 2.535 20 5 FFBDLO CCc1cc(N)nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[nH+]1 ZINC000447786871 513567853 /nfs/dbraw/zinc/56/78/53/513567853.db2.gz NXPDRUXIGWMNRS-UHFFFAOYSA-N 1 2 367.818 2.744 20 5 FFBDLO COC(=O)[C@H]1CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C[C@H]1C ZINC000425441879 513568877 /nfs/dbraw/zinc/56/88/77/513568877.db2.gz IVANHQGRBZKEFA-MFKMUULPSA-N 1 2 371.231 2.988 20 5 FFBDLO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C[C@H]1C ZINC000425441879 513568880 /nfs/dbraw/zinc/56/88/80/513568880.db2.gz IVANHQGRBZKEFA-MFKMUULPSA-N 1 2 371.231 2.988 20 5 FFBDLO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@H](C)Cn1cc[nH+]c1 ZINC000447804822 513575873 /nfs/dbraw/zinc/57/58/73/513575873.db2.gz GTPNDFBSZQTZKG-JTQLQIEISA-N 1 2 352.778 2.980 20 5 FFBDLO C[C@H](C[NH+]1CCOCC1)N(C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425466409 513581470 /nfs/dbraw/zinc/58/14/70/513581470.db2.gz ASXMYQPUWWFHCR-GFCCVEGCSA-N 1 2 372.263 2.510 20 5 FFBDLO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)C[C@@H](C)O2 ZINC000430284668 513611259 /nfs/dbraw/zinc/61/12/59/513611259.db2.gz ORMVNIFCJBGWOF-VFVRVIDISA-N 1 2 360.414 2.630 20 5 FFBDLO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)C[C@@H](C)O2 ZINC000430284668 513611265 /nfs/dbraw/zinc/61/12/65/513611265.db2.gz ORMVNIFCJBGWOF-VFVRVIDISA-N 1 2 360.414 2.630 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451264695 513636296 /nfs/dbraw/zinc/63/62/96/513636296.db2.gz NEXAWADECYMDFW-HKUYNNGSSA-N 1 2 360.385 2.903 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451264695 513636301 /nfs/dbraw/zinc/63/63/01/513636301.db2.gz NEXAWADECYMDFW-HKUYNNGSSA-N 1 2 360.385 2.903 20 5 FFBDLO Cc1cc(C)c(S(=O)(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)cc1[N+](=O)[O-] ZINC000451545195 513824583 /nfs/dbraw/zinc/82/45/83/513824583.db2.gz GZSIRIIVCRJWAO-CQSZACIVSA-N 1 2 352.416 2.610 20 5 FFBDLO O=C(C[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000451695452 513915558 /nfs/dbraw/zinc/91/55/58/513915558.db2.gz NLGHIKMQUZEHGO-BZPMIXESSA-N 1 2 367.833 2.670 20 5 FFBDLO O=C(C[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000451695452 513915561 /nfs/dbraw/zinc/91/55/61/513915561.db2.gz NLGHIKMQUZEHGO-BZPMIXESSA-N 1 2 367.833 2.670 20 5 FFBDLO O=C(NCCCOC1CCCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448829054 513917376 /nfs/dbraw/zinc/91/73/76/513917376.db2.gz UHPIEYCPYOYUHW-UHFFFAOYSA-N 1 2 358.398 2.860 20 5 FFBDLO COCC[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCOC1 ZINC000426514294 513965679 /nfs/dbraw/zinc/96/56/79/513965679.db2.gz CKXSWIRXXXHPOS-MRXNPFEDSA-N 1 2 363.439 2.956 20 5 FFBDLO COCC[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCOC1 ZINC000426514294 513965687 /nfs/dbraw/zinc/96/56/87/513965687.db2.gz CKXSWIRXXXHPOS-MRXNPFEDSA-N 1 2 363.439 2.956 20 5 FFBDLO CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@@H]1[C@H]1CCCO1 ZINC000451818416 514001537 /nfs/dbraw/zinc/00/15/37/514001537.db2.gz PJOLBOSSFONOGS-IAGOWNOFSA-N 1 2 370.409 2.810 20 5 FFBDLO NC(=O)c1cccc([N+](=O)[O-])c1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000420590914 514195084 /nfs/dbraw/zinc/19/50/84/514195084.db2.gz VCTOWGYXDFKIBN-UHFFFAOYSA-N 1 2 374.828 2.669 20 5 FFBDLO CSC[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000452161104 514223078 /nfs/dbraw/zinc/22/30/78/514223078.db2.gz NTGFOJUXHAFQAF-CYBMUJFWSA-N 1 2 360.439 2.996 20 5 FFBDLO COC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]CCNc1ccccc1[N+](=O)[O-] ZINC000438308764 514351719 /nfs/dbraw/zinc/35/17/19/514351719.db2.gz WQKSNPUIFHLNEM-MRXNPFEDSA-N 1 2 361.373 2.520 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000452679346 514452974 /nfs/dbraw/zinc/45/29/74/514452974.db2.gz JXFNEEZDSZYGOY-HDMKZQKVSA-N 1 2 370.409 2.546 20 5 FFBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1c[nH+]cn1Cc1ccccc1 ZINC000445609848 514499045 /nfs/dbraw/zinc/49/90/45/514499045.db2.gz YPJUEFRSVACQRR-UHFFFAOYSA-N 1 2 362.345 2.636 20 5 FFBDLO Cc1cc[nH+]cc1N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000439378139 514541383 /nfs/dbraw/zinc/54/13/83/514541383.db2.gz YUADLGNMFKFEID-UHFFFAOYSA-N 1 2 355.398 2.961 20 5 FFBDLO CC(C)OC(=O)[C@@H]([NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000453311021 514597584 /nfs/dbraw/zinc/59/75/84/514597584.db2.gz ACYKQYMZNVZGHR-DYVFJYSZSA-N 1 2 365.430 2.878 20 5 FFBDLO O=C(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)Nc1ccccc1Cl ZINC000488980285 514660332 /nfs/dbraw/zinc/66/03/32/514660332.db2.gz JIVCZDJGQPHLQL-UHFFFAOYSA-N 1 2 363.805 2.720 20 5 FFBDLO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H](CO)c1ccccc1 ZINC000479634345 514664048 /nfs/dbraw/zinc/66/40/48/514664048.db2.gz CXFYIUKGGZZKBO-INIZCTEOSA-N 1 2 354.366 2.810 20 5 FFBDLO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H](CO)c1ccccc1 ZINC000479634345 514664057 /nfs/dbraw/zinc/66/40/57/514664057.db2.gz CXFYIUKGGZZKBO-INIZCTEOSA-N 1 2 354.366 2.810 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000470934391 514680108 /nfs/dbraw/zinc/68/01/08/514680108.db2.gz VZRPRWUHNUKYJP-ONGXEEELSA-N 1 2 361.320 2.815 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000470934391 514680117 /nfs/dbraw/zinc/68/01/17/514680117.db2.gz VZRPRWUHNUKYJP-ONGXEEELSA-N 1 2 361.320 2.815 20 5 FFBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCO[C@@H](COc3ccccc3)C2)c1 ZINC000484571682 514695771 /nfs/dbraw/zinc/69/57/71/514695771.db2.gz MALCTKWYBJSANB-LJQANCHMSA-N 1 2 358.394 2.753 20 5 FFBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCO[C@@H](COc3ccccc3)C2)c1 ZINC000484571682 514695780 /nfs/dbraw/zinc/69/57/80/514695780.db2.gz MALCTKWYBJSANB-LJQANCHMSA-N 1 2 358.394 2.753 20 5 FFBDLO COc1ccccc1/C=C/C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000453579747 514699934 /nfs/dbraw/zinc/69/99/34/514699934.db2.gz SCEMYWCTRBCJQT-FNORWQNLSA-N 1 2 354.410 2.834 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(Oc2ccccn2)CC1 ZINC000471153255 514775027 /nfs/dbraw/zinc/77/50/27/514775027.db2.gz VIACEZFSRLBGLO-UHFFFAOYSA-N 1 2 370.409 2.780 20 5 FFBDLO O=C(C[N@@H+]1CC[C@@H]1c1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000471166716 514780089 /nfs/dbraw/zinc/78/00/89/514780089.db2.gz YWUMTEUBVBSWQP-CQSZACIVSA-N 1 2 355.350 2.709 20 5 FFBDLO O=C(C[N@H+]1CC[C@@H]1c1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000471166716 514780099 /nfs/dbraw/zinc/78/00/99/514780099.db2.gz YWUMTEUBVBSWQP-CQSZACIVSA-N 1 2 355.350 2.709 20 5 FFBDLO C[C@]1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO[C@H]1C1CC1 ZINC000466842286 514797963 /nfs/dbraw/zinc/79/79/63/514797963.db2.gz BHCZRFFKTAUFDD-PKOBYXMFSA-N 1 2 370.409 2.716 20 5 FFBDLO C[C@]1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO[C@@H]1C1CC1 ZINC000466842284 514798237 /nfs/dbraw/zinc/79/82/37/514798237.db2.gz BHCZRFFKTAUFDD-IEBWSBKVSA-N 1 2 370.409 2.716 20 5 FFBDLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000484892750 514832017 /nfs/dbraw/zinc/83/20/17/514832017.db2.gz UJPQGKAMCYNRDU-UHFFFAOYSA-N 1 2 352.306 2.762 20 5 FFBDLO Cc1cc(Nc2ccc3ncc([N+](=O)[O-])n3n2)c[nH+]c1N1CCCC[C@@H]1C ZINC000503272661 514987021 /nfs/dbraw/zinc/98/70/21/514987021.db2.gz AZCRJAJWUFPHLG-ZDUSSCGKSA-N 1 2 367.413 2.885 20 5 FFBDLO COC(=O)C[C@@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)c1ccccn1 ZINC000509129334 515036354 /nfs/dbraw/zinc/03/63/54/515036354.db2.gz YNALPBVZFYWDPW-GOSISDBHSA-N 1 2 359.382 2.567 20 5 FFBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CCOC)CC1 ZINC000509138456 515040932 /nfs/dbraw/zinc/04/09/32/515040932.db2.gz LSFJLMAIEJZQFK-UHFFFAOYSA-N 1 2 367.471 2.501 20 5 FFBDLO COc1cc(CN2CC[NH+](Cc3c(C)noc3C)CC2)ccc1[N+](=O)[O-] ZINC000489976489 515053585 /nfs/dbraw/zinc/05/35/85/515053585.db2.gz GSJKHXNLAHIRFJ-UHFFFAOYSA-N 1 2 360.414 2.526 20 5 FFBDLO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000456342148 515110619 /nfs/dbraw/zinc/11/06/19/515110619.db2.gz FPFCTTZAPVJYDX-AWEZNQCLSA-N 1 2 357.414 2.541 20 5 FFBDLO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000456342148 515110630 /nfs/dbraw/zinc/11/06/30/515110630.db2.gz FPFCTTZAPVJYDX-AWEZNQCLSA-N 1 2 357.414 2.541 20 5 FFBDLO C[C@@H]1C[C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c2[nH+]ccn21 ZINC000456393199 515151859 /nfs/dbraw/zinc/15/18/59/515151859.db2.gz RLFGOKMONZQASJ-UKRRQHHQSA-N 1 2 369.425 2.830 20 5 FFBDLO CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@H](CO)CC(C)(C)C ZINC000456425965 515175759 /nfs/dbraw/zinc/17/57/59/515175759.db2.gz TYPHNXLAXTUHCF-AWEZNQCLSA-N 1 2 360.414 2.650 20 5 FFBDLO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000486056398 515315484 /nfs/dbraw/zinc/31/54/84/515315484.db2.gz VDAFLGHOLFUAGV-UHFFFAOYSA-N 1 2 350.325 2.545 20 5 FFBDLO CN(C)c1ccccc1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000509776142 515320554 /nfs/dbraw/zinc/32/05/54/515320554.db2.gz WXDPAYXXYLLJJW-UHFFFAOYSA-N 1 2 374.466 2.680 20 5 FFBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCc3ccc(F)c(F)c3C2)c1 ZINC000486429054 515479834 /nfs/dbraw/zinc/47/98/34/515479834.db2.gz DQFRLQVSOQQXFK-AWEZNQCLSA-N 1 2 364.348 2.671 20 5 FFBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCc3ccc(F)c(F)c3C2)c1 ZINC000486429054 515479842 /nfs/dbraw/zinc/47/98/42/515479842.db2.gz DQFRLQVSOQQXFK-AWEZNQCLSA-N 1 2 364.348 2.671 20 5 FFBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1cccc(-n2cc[nH+]c2)c1 ZINC000468721440 515487060 /nfs/dbraw/zinc/48/70/60/515487060.db2.gz ATBKQBXBUVGEQT-UHFFFAOYSA-N 1 2 372.406 2.796 20 5 FFBDLO Cn1c(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)ccc1[N+](=O)[O-] ZINC000481933661 515520460 /nfs/dbraw/zinc/52/04/60/515520460.db2.gz PVQAWULQSGPOBY-UHFFFAOYSA-N 1 2 362.817 2.545 20 5 FFBDLO CCOc1cc(C[NH2+][C@@H](C)c2nnnn2-c2ccccc2)ccc1[N+](=O)[O-] ZINC000492897082 515574989 /nfs/dbraw/zinc/57/49/89/515574989.db2.gz WXSUWUXEKIVWCZ-ZDUSSCGKSA-N 1 2 368.397 2.820 20 5 FFBDLO C[NH+](C)Cc1csc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)n1 ZINC000457312980 515802335 /nfs/dbraw/zinc/80/23/35/515802335.db2.gz LOXSTCRBXPEWJX-UHFFFAOYSA-N 1 2 356.354 2.572 20 5 FFBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000469441818 515819355 /nfs/dbraw/zinc/81/93/55/515819355.db2.gz ZIPVZBPFOKVUNQ-KRWDZBQOSA-N 1 2 366.377 2.624 20 5 FFBDLO COc1c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000474086372 515874737 /nfs/dbraw/zinc/87/47/37/515874737.db2.gz BZEFCKBJRXSEKC-UHFFFAOYSA-N 1 2 355.394 2.561 20 5 FFBDLO CCOC(=O)c1coc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000474102082 515884352 /nfs/dbraw/zinc/88/43/52/515884352.db2.gz YCSDXZHEHXNMOT-UHFFFAOYSA-N 1 2 359.382 2.687 20 5 FFBDLO Cc1ccc2c(c1)C[N@H+]([C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)CCO2 ZINC000512272180 516218438 /nfs/dbraw/zinc/21/84/38/516218438.db2.gz YDXJETYDMJFUDA-SFHVURJKSA-N 1 2 367.405 2.903 20 5 FFBDLO Cc1ccc2c(c1)C[N@@H+]([C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)CCO2 ZINC000512272180 516218444 /nfs/dbraw/zinc/21/84/44/516218444.db2.gz YDXJETYDMJFUDA-SFHVURJKSA-N 1 2 367.405 2.903 20 5 FFBDLO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000507505878 516226026 /nfs/dbraw/zinc/22/60/26/516226026.db2.gz LSIDYXLDRURSNG-UKRRQHHQSA-N 1 2 355.394 2.866 20 5 FFBDLO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000507505878 516226037 /nfs/dbraw/zinc/22/60/37/516226037.db2.gz LSIDYXLDRURSNG-UKRRQHHQSA-N 1 2 355.394 2.866 20 5 FFBDLO COc1cc[nH+]cc1CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000554368900 516408684 /nfs/dbraw/zinc/40/86/84/516408684.db2.gz SDBQIEQHVWEUPY-UHFFFAOYSA-N 1 2 373.412 2.875 20 5 FFBDLO COc1ccc(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000513166036 516499782 /nfs/dbraw/zinc/49/97/82/516499782.db2.gz PBLNGZJIEKSXTN-UHFFFAOYSA-N 1 2 366.377 2.778 20 5 FFBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000543997842 516532464 /nfs/dbraw/zinc/53/24/64/516532464.db2.gz FBPJNFLQOGQUDS-UHFFFAOYSA-N 1 2 372.406 2.772 20 5 FFBDLO COc1cc(C[NH2+]Cc2ccn(Cc3ccccc3)n2)c([N+](=O)[O-])cc1O ZINC000551219773 516612037 /nfs/dbraw/zinc/61/20/37/516612037.db2.gz YOWHKSLQMCVPBP-UHFFFAOYSA-N 1 2 368.393 2.844 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+](C)Cc2ccccc2N(C)C)c([N+](=O)[O-])c1 ZINC000554745607 516616982 /nfs/dbraw/zinc/61/69/82/516616982.db2.gz LPSYWBSNVLUESQ-UHFFFAOYSA-N 1 2 372.425 2.740 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2N(C)C)c([N+](=O)[O-])c1 ZINC000554745607 516616988 /nfs/dbraw/zinc/61/69/88/516616988.db2.gz LPSYWBSNVLUESQ-UHFFFAOYSA-N 1 2 372.425 2.740 20 5 FFBDLO Cc1cc(NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c(C)c[nH+]1 ZINC000558205371 516647153 /nfs/dbraw/zinc/64/71/53/516647153.db2.gz JWRVVTFJTKQJAK-UHFFFAOYSA-N 1 2 353.382 2.874 20 5 FFBDLO Cc1cn2cc(NC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)ccc2[nH+]1 ZINC000524232940 516674893 /nfs/dbraw/zinc/67/48/93/516674893.db2.gz UWMODTISHNEGHZ-UHFFFAOYSA-N 1 2 362.349 2.989 20 5 FFBDLO Cc1nc(CC[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c(C)o1 ZINC000513702299 516724756 /nfs/dbraw/zinc/72/47/56/516724756.db2.gz HNOIYKJXRXKZSD-QGZVFWFLSA-N 1 2 355.398 2.855 20 5 FFBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000561898739 516819105 /nfs/dbraw/zinc/81/91/05/516819105.db2.gz NQFYJGQNBJZADD-MRXNPFEDSA-N 1 2 357.414 2.664 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)n1 ZINC000541004468 516826905 /nfs/dbraw/zinc/82/69/05/516826905.db2.gz CZXGEMIAHSHPFN-CQSZACIVSA-N 1 2 357.414 2.839 20 5 FFBDLO COc1cc(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc(OC)c1 ZINC000514096792 516860268 /nfs/dbraw/zinc/86/02/68/516860268.db2.gz XWEPXLQFNYKQSW-UHFFFAOYSA-N 1 2 373.409 2.991 20 5 FFBDLO COc1cc(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc(OC)c1 ZINC000514096792 516860279 /nfs/dbraw/zinc/86/02/79/516860279.db2.gz XWEPXLQFNYKQSW-UHFFFAOYSA-N 1 2 373.409 2.991 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CCn3c[nH+]cc3C2)nc1OCc1ccccc1 ZINC000519042058 516866467 /nfs/dbraw/zinc/86/64/67/516866467.db2.gz UHLVMEICZQHCHE-UHFFFAOYSA-N 1 2 351.366 2.786 20 5 FFBDLO CN(CCCOc1ccccc1)C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000525271161 516986826 /nfs/dbraw/zinc/98/68/26/516986826.db2.gz YYWCXAFCPPWNSU-UHFFFAOYSA-N 1 2 371.437 2.954 20 5 FFBDLO CN(CCCOc1ccccc1)C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000525271161 516986832 /nfs/dbraw/zinc/98/68/32/516986832.db2.gz YYWCXAFCPPWNSU-UHFFFAOYSA-N 1 2 371.437 2.954 20 5 FFBDLO Cc1cc(N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)nc(C2CC2)[nH+]1 ZINC000559012335 517040767 /nfs/dbraw/zinc/04/07/67/517040767.db2.gz VCLVAUZFKHSILQ-UHFFFAOYSA-N 1 2 367.409 2.533 20 5 FFBDLO CC1(C)C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@@H]1[C@H]1CCCO1 ZINC000514973984 517150024 /nfs/dbraw/zinc/15/00/24/517150024.db2.gz AFSDZQZXWAIWRU-BRWVUGGUSA-N 1 2 359.426 2.590 20 5 FFBDLO CC1(C)C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@@H]1[C@H]1CCCO1 ZINC000514973984 517150035 /nfs/dbraw/zinc/15/00/35/517150035.db2.gz AFSDZQZXWAIWRU-BRWVUGGUSA-N 1 2 359.426 2.590 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccnn3C3CCCC3)CC2)cn1 ZINC000562515763 517156886 /nfs/dbraw/zinc/15/68/86/517156886.db2.gz DCUZSVMMTRESBH-UHFFFAOYSA-N 1 2 356.430 2.624 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(CNc3nc(C4CC4)[nH+]c4c3CCC4)nc2c1 ZINC000555964161 517211927 /nfs/dbraw/zinc/21/19/27/517211927.db2.gz QNCALHVCCBFKPB-UHFFFAOYSA-N 1 2 350.382 2.661 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCc3ccc(O)cc3C2)c([N+](=O)[O-])c1 ZINC000533072715 517279742 /nfs/dbraw/zinc/27/97/42/517279742.db2.gz COBZRSMFDCTJJB-GFCCVEGCSA-N 1 2 371.393 2.694 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCc3ccc(O)cc3C2)c([N+](=O)[O-])c1 ZINC000533072715 517279749 /nfs/dbraw/zinc/27/97/49/517279749.db2.gz COBZRSMFDCTJJB-GFCCVEGCSA-N 1 2 371.393 2.694 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(OC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000533475587 517481128 /nfs/dbraw/zinc/48/11/28/517481128.db2.gz YDENNABZJCAACC-ZDUSSCGKSA-N 1 2 365.430 2.820 20 5 FFBDLO Cc1ccc([C@H](C)[NH2+]CC2=Nc3ccccc3S(=O)(=O)N2)cc1[N+](=O)[O-] ZINC000538278043 517537517 /nfs/dbraw/zinc/53/75/17/517537517.db2.gz IXFKAHRRDRJXIR-LBPRGKRZSA-N 1 2 374.422 2.576 20 5 FFBDLO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542462476 517577793 /nfs/dbraw/zinc/57/77/93/517577793.db2.gz WRFISVLOSXKKPI-UHFFFAOYSA-N 1 2 358.398 2.830 20 5 FFBDLO CCc1cc(N[C@@H]2CCc3[nH]c[nH+]c3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000549519926 517597848 /nfs/dbraw/zinc/59/78/48/517597848.db2.gz DWUNMYIUABCNNO-CQSZACIVSA-N 1 2 364.409 2.729 20 5 FFBDLO Cc1cc(N[C@H](CO)CC(F)(F)F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000533783393 517610334 /nfs/dbraw/zinc/61/03/34/517610334.db2.gz KPLUNUHFGJEJHL-NSHDSACASA-N 1 2 356.304 2.507 20 5 FFBDLO Cc1ccc(NCCCNC(=O)Nc2cc(C)[nH+]cc2C)c([N+](=O)[O-])c1 ZINC000534324464 517853235 /nfs/dbraw/zinc/85/32/35/517853235.db2.gz YIGNLXPWIPIWEF-UHFFFAOYSA-N 1 2 357.414 2.961 20 5 FFBDLO O=[N+]([O-])c1ccc(OCc2nc(Cc3cn4ccccc4[nH+]3)no2)cc1 ZINC000547042585 517966712 /nfs/dbraw/zinc/96/67/12/517966712.db2.gz ZHEPASBUEJOUHN-UHFFFAOYSA-N 1 2 351.322 2.795 20 5 FFBDLO COC(=O)c1cc(C)nc(N(C)Cc2[nH+]cc(C)c(OC)c2C)c1[N+](=O)[O-] ZINC000550388303 518024217 /nfs/dbraw/zinc/02/42/17/518024217.db2.gz YTZDVABYXCLMGV-UHFFFAOYSA-N 1 2 374.397 2.742 20 5 FFBDLO CO[C@H](C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000550472255 518076584 /nfs/dbraw/zinc/07/65/84/518076584.db2.gz OLSBIWQOXSSSOG-LJQANCHMSA-N 1 2 369.421 2.740 20 5 FFBDLO COc1cc(OC)cc([C@@H](Nc2ccc([N+](=O)[O-])nc2)c2[nH+]ccn2C)c1 ZINC000560952477 518094764 /nfs/dbraw/zinc/09/47/64/518094764.db2.gz FXGRVASYUHQNMB-QGZVFWFLSA-N 1 2 369.381 2.942 20 5 FFBDLO CCOc1cc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000585800881 518607617 /nfs/dbraw/zinc/60/76/17/518607617.db2.gz QPHRPIOEUYXYSX-NXHRZFHOSA-N 1 2 364.442 2.745 20 5 FFBDLO CCOc1cc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000585800881 518607626 /nfs/dbraw/zinc/60/76/26/518607626.db2.gz QPHRPIOEUYXYSX-NXHRZFHOSA-N 1 2 364.442 2.745 20 5 FFBDLO O=C(C[N@@H+]1CCC[C@H]1c1cccnc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000588203918 518749945 /nfs/dbraw/zinc/74/99/45/518749945.db2.gz WVISOFBAWYSDFZ-KRWDZBQOSA-N 1 2 352.394 2.716 20 5 FFBDLO O=C(C[N@H+]1CCC[C@H]1c1cccnc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000588203918 518749955 /nfs/dbraw/zinc/74/99/55/518749955.db2.gz WVISOFBAWYSDFZ-KRWDZBQOSA-N 1 2 352.394 2.716 20 5 FFBDLO CSc1cccc(-c2nc([C@H]3C[N@@H+](C4CC4)CCO3)no2)c1[N+](=O)[O-] ZINC000579760804 518837630 /nfs/dbraw/zinc/83/76/30/518837630.db2.gz ZKMNBDQZXHHHDG-GFCCVEGCSA-N 1 2 362.411 2.902 20 5 FFBDLO CSc1cccc(-c2nc([C@H]3C[N@H+](C4CC4)CCO3)no2)c1[N+](=O)[O-] ZINC000579760804 518837637 /nfs/dbraw/zinc/83/76/37/518837637.db2.gz ZKMNBDQZXHHHDG-GFCCVEGCSA-N 1 2 362.411 2.902 20 5 FFBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC3(C1)Oc1ccccc1O3)OCCO2 ZINC000589210582 518953597 /nfs/dbraw/zinc/95/35/97/518953597.db2.gz BFOIGFXNGJGENZ-UHFFFAOYSA-N 1 2 370.361 2.739 20 5 FFBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC3(C1)Oc1ccccc1O3)OCCO2 ZINC000589210582 518953601 /nfs/dbraw/zinc/95/36/01/518953601.db2.gz BFOIGFXNGJGENZ-UHFFFAOYSA-N 1 2 370.361 2.739 20 5 FFBDLO COC(=O)C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000565961948 519219031 /nfs/dbraw/zinc/21/90/31/519219031.db2.gz KVYTYMQSTYABFK-UHFFFAOYSA-N 1 2 371.393 2.599 20 5 FFBDLO COC(=O)C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000565961948 519219034 /nfs/dbraw/zinc/21/90/34/519219034.db2.gz KVYTYMQSTYABFK-UHFFFAOYSA-N 1 2 371.393 2.599 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(C)cn2)c([N+](=O)[O-])c1 ZINC000590754607 519353378 /nfs/dbraw/zinc/35/33/78/519353378.db2.gz MANAWJNZFSIBNH-ZDUSSCGKSA-N 1 2 358.398 2.766 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C)cn2)c([N+](=O)[O-])c1 ZINC000590754607 519353382 /nfs/dbraw/zinc/35/33/82/519353382.db2.gz MANAWJNZFSIBNH-ZDUSSCGKSA-N 1 2 358.398 2.766 20 5 FFBDLO CC[C@H]1C[N@H+](C)CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000569142981 519399148 /nfs/dbraw/zinc/39/91/48/519399148.db2.gz NYQXQYSOJLPBAI-INIZCTEOSA-N 1 2 363.461 2.707 20 5 FFBDLO CC[C@H]1C[N@@H+](C)CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000569142981 519399156 /nfs/dbraw/zinc/39/91/56/519399156.db2.gz NYQXQYSOJLPBAI-INIZCTEOSA-N 1 2 363.461 2.707 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1CN(c3ccccc3)CCO1)CCO2 ZINC000572175789 519479711 /nfs/dbraw/zinc/47/97/11/519479711.db2.gz VTOYCJGQEDTHPL-LJQANCHMSA-N 1 2 369.421 2.695 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1CN(c3ccccc3)CCO1)CCO2 ZINC000572175789 519479716 /nfs/dbraw/zinc/47/97/16/519479716.db2.gz VTOYCJGQEDTHPL-LJQANCHMSA-N 1 2 369.421 2.695 20 5 FFBDLO COc1ccc(CN[C@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)cc1O ZINC000581062993 519504991 /nfs/dbraw/zinc/50/49/91/519504991.db2.gz RWYKGADGOBGEEF-SFHVURJKSA-N 1 2 368.393 2.922 20 5 FFBDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000597312990 519950510 /nfs/dbraw/zinc/95/05/10/519950510.db2.gz FBBWYNFLETUUKI-IAGOWNOFSA-N 1 2 370.409 2.502 20 5 FFBDLO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cccs2)CC1 ZINC000591720540 520009630 /nfs/dbraw/zinc/00/96/30/520009630.db2.gz NHYWTABGDLKJOG-UHFFFAOYSA-N 1 2 374.466 2.803 20 5 FFBDLO C[C@@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000594513543 520009911 /nfs/dbraw/zinc/00/99/11/520009911.db2.gz ZSIBVANSCZEMRS-BBRMVZONSA-N 1 2 374.441 2.985 20 5 FFBDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000600297733 520187659 /nfs/dbraw/zinc/18/76/59/520187659.db2.gz DAJUWHJMHKKBGA-AWEZNQCLSA-N 1 2 361.423 2.669 20 5 FFBDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000600297733 520187666 /nfs/dbraw/zinc/18/76/66/520187666.db2.gz DAJUWHJMHKKBGA-AWEZNQCLSA-N 1 2 361.423 2.669 20 5 FFBDLO CCOc1cc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])cc1OC ZINC000609131184 520200020 /nfs/dbraw/zinc/20/00/20/520200020.db2.gz JWLGOCBNYQUZHT-CYBMUJFWSA-N 1 2 374.397 2.676 20 5 FFBDLO COC(=O)c1ccc2c(c1)C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000609313552 520272656 /nfs/dbraw/zinc/27/26/56/520272656.db2.gz SIEJXPISJYXBQM-UHFFFAOYSA-N 1 2 369.377 2.726 20 5 FFBDLO COC(=O)c1ccc2c(c1)C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000609313552 520272659 /nfs/dbraw/zinc/27/26/59/520272659.db2.gz SIEJXPISJYXBQM-UHFFFAOYSA-N 1 2 369.377 2.726 20 5 FFBDLO CCCC(=O)NC1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000603682484 520342274 /nfs/dbraw/zinc/34/22/74/520342274.db2.gz UUQXCGSMWOEQJM-UHFFFAOYSA-N 1 2 373.413 2.526 20 5 FFBDLO CC(C)(C)OC(=O)C(C)(C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000600596571 520352546 /nfs/dbraw/zinc/35/25/46/520352546.db2.gz VSRWOTVPFYEGTJ-UHFFFAOYSA-N 1 2 374.397 2.631 20 5 FFBDLO Cc1cc(C)c(CN2C(=O)N[C@](C)(c3cccc([N+](=O)[O-])c3)C2=O)c[nH+]1 ZINC000600697041 520404489 /nfs/dbraw/zinc/40/44/89/520404489.db2.gz DGTHVOQSDKZTHJ-GOSISDBHSA-N 1 2 354.366 2.574 20 5 FFBDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)NCc1ccccc1[N+](=O)[O-] ZINC000609678489 520404461 /nfs/dbraw/zinc/40/44/61/520404461.db2.gz FXWGCJJLHIGSHM-UHFFFAOYSA-N 1 2 351.366 2.780 20 5 FFBDLO Cc1noc(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1[N+](=O)[O-] ZINC000595426969 520462538 /nfs/dbraw/zinc/46/25/38/520462538.db2.gz VBPOABSLVDVADI-JTQLQIEISA-N 1 2 359.308 2.944 20 5 FFBDLO Cc1noc(C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1[N+](=O)[O-] ZINC000595426969 520462546 /nfs/dbraw/zinc/46/25/46/520462546.db2.gz VBPOABSLVDVADI-JTQLQIEISA-N 1 2 359.308 2.944 20 5 FFBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2nnnn2C2CC2)s1 ZINC000610271760 520615774 /nfs/dbraw/zinc/61/57/74/520615774.db2.gz BXHKVDMCPLWNRB-UHFFFAOYSA-N 1 2 356.411 2.935 20 5 FFBDLO CSCc1cnc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)s1 ZINC000601148897 520659355 /nfs/dbraw/zinc/65/93/55/520659355.db2.gz HJPJXTKIAARFSY-OAHLLOKOSA-N 1 2 353.469 2.912 20 5 FFBDLO O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1ccccc1C[NH+]1CCOCC1 ZINC000593036291 520698629 /nfs/dbraw/zinc/69/86/29/520698629.db2.gz XNTCXKHBVPDMBL-UHFFFAOYSA-N 1 2 373.384 2.747 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@]3(CC3(F)F)C2)c([N+](=O)[O-])c1 ZINC000593117315 520757396 /nfs/dbraw/zinc/75/73/96/520757396.db2.gz LZZLDPAGXNQBMI-BMIGLBTASA-N 1 2 355.341 2.662 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@]3(CC3(F)F)C2)c([N+](=O)[O-])c1 ZINC000593117315 520757402 /nfs/dbraw/zinc/75/74/02/520757402.db2.gz LZZLDPAGXNQBMI-BMIGLBTASA-N 1 2 355.341 2.662 20 5 FFBDLO O=C(CC[N@@H+]1CCO[C@@H](CC(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595886904 520793911 /nfs/dbraw/zinc/79/39/11/520793911.db2.gz PGLOHXQQEJYAOP-ZDUSSCGKSA-N 1 2 361.320 2.577 20 5 FFBDLO O=C(CC[N@H+]1CCO[C@@H](CC(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595886904 520793914 /nfs/dbraw/zinc/79/39/14/520793914.db2.gz PGLOHXQQEJYAOP-ZDUSSCGKSA-N 1 2 361.320 2.577 20 5 FFBDLO COc1cc(N2CC[NH+](Cc3ccccn3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596060456 520887699 /nfs/dbraw/zinc/88/76/99/520887699.db2.gz JTWOCLKMHNATHY-UHFFFAOYSA-N 1 2 362.817 2.974 20 5 FFBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2ccc([N+](=O)[O-])cn2)c(C)c1 ZINC000611001665 520941877 /nfs/dbraw/zinc/94/18/77/520941877.db2.gz TYVFYAMRBHWFOD-SFHVURJKSA-N 1 2 365.393 2.974 20 5 FFBDLO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000593406873 520971799 /nfs/dbraw/zinc/97/17/99/520971799.db2.gz DESIZAZQNVHQLG-UHFFFAOYSA-N 1 2 372.400 2.978 20 5 FFBDLO O=[N+]([O-])c1c(NC[C@]2([NH+]3CCOCC3)CCSC2)ccc2cnccc21 ZINC000599027734 520990284 /nfs/dbraw/zinc/99/02/84/520990284.db2.gz QQQWNHWJTYGQNX-GOSISDBHSA-N 1 2 374.466 2.763 20 5 FFBDLO COc1ccc[nH+]c1N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000599071772 521014361 /nfs/dbraw/zinc/01/43/61/521014361.db2.gz ABDSHFSCTRXBMV-UHFFFAOYSA-N 1 2 368.397 2.591 20 5 FFBDLO CNC(=O)[C@]1(C(F)(F)F)CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599092510 521027632 /nfs/dbraw/zinc/02/76/32/521027632.db2.gz JHVRYRRVBMGWST-HNNXBMFYSA-N 1 2 368.315 2.648 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCO[C@H](C(F)F)CC3)o2)cc1 ZINC000601973922 521051583 /nfs/dbraw/zinc/05/15/83/521051583.db2.gz DVDQVMSYRJUXSV-LBPRGKRZSA-N 1 2 354.313 2.501 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCO[C@H](C(F)F)CC3)o2)cc1 ZINC000601973922 521051587 /nfs/dbraw/zinc/05/15/87/521051587.db2.gz DVDQVMSYRJUXSV-LBPRGKRZSA-N 1 2 354.313 2.501 20 5 FFBDLO Cc1cn2ccc(C(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)cc2[nH+]1 ZINC000602032738 521091184 /nfs/dbraw/zinc/09/11/84/521091184.db2.gz AUJOCEHGKXDLOU-UHFFFAOYSA-N 1 2 365.393 2.513 20 5 FFBDLO COc1cc(C[NH2+][C@H](c2ccccc2F)[C@@H](C)O)c([N+](=O)[O-])cc1OC ZINC000593656031 521135199 /nfs/dbraw/zinc/13/51/99/521135199.db2.gz AESXKOOLRMLMED-ZMZPIMSZSA-N 1 2 364.373 2.963 20 5 FFBDLO Cc1noc(C[NH+]2CC(C)(c3nnc(-c4cccc(F)c4)o3)C2)c1[N+](=O)[O-] ZINC000596604572 521163143 /nfs/dbraw/zinc/16/31/43/521163143.db2.gz DVMFXQRDEBVXFT-UHFFFAOYSA-N 1 2 373.344 2.854 20 5 FFBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H](N3CCOCC3)C2)c1 ZINC000594003038 521342671 /nfs/dbraw/zinc/34/26/71/521342671.db2.gz XXCJEUSETBHCJN-OAHLLOKOSA-N 1 2 373.375 2.910 20 5 FFBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@@H](N3CCOCC3)C2)c1 ZINC000594003038 521342680 /nfs/dbraw/zinc/34/26/80/521342680.db2.gz XXCJEUSETBHCJN-OAHLLOKOSA-N 1 2 373.375 2.910 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C(C)(C)C(=O)OC(C)(C)C ZINC000599651096 521361071 /nfs/dbraw/zinc/36/10/71/521361071.db2.gz YTEXESIVRTYBAB-UHFFFAOYSA-N 1 2 365.430 2.942 20 5 FFBDLO COC(=O)[C@]1(C)CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602480321 521367806 /nfs/dbraw/zinc/36/78/06/521367806.db2.gz GFWYFOROGDSTCM-GFCCVEGCSA-N 1 2 363.233 2.804 20 5 FFBDLO COC(=O)[C@]1(C)CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602480321 521367815 /nfs/dbraw/zinc/36/78/15/521367815.db2.gz GFWYFOROGDSTCM-GFCCVEGCSA-N 1 2 363.233 2.804 20 5 FFBDLO COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602480322 521368543 /nfs/dbraw/zinc/36/85/43/521368543.db2.gz GFWYFOROGDSTCM-LBPRGKRZSA-N 1 2 363.233 2.804 20 5 FFBDLO COC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602480322 521368550 /nfs/dbraw/zinc/36/85/50/521368550.db2.gz GFWYFOROGDSTCM-LBPRGKRZSA-N 1 2 363.233 2.804 20 5 FFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000599682857 521396764 /nfs/dbraw/zinc/39/67/64/521396764.db2.gz LVKHFOAYZJJWIP-ZDUSSCGKSA-N 1 2 371.393 2.998 20 5 FFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000599682857 521396774 /nfs/dbraw/zinc/39/67/74/521396774.db2.gz LVKHFOAYZJJWIP-ZDUSSCGKSA-N 1 2 371.393 2.998 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCC[C@@H](OC(F)F)C1 ZINC000619154676 521422045 /nfs/dbraw/zinc/42/20/45/521422045.db2.gz IVQFQQYXZBXOSO-CQSZACIVSA-N 1 2 371.384 2.635 20 5 FFBDLO CC(C)(C)O[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000594140944 521430826 /nfs/dbraw/zinc/43/08/26/521430826.db2.gz SOFGUMDJVHTTJW-HDJSIYSDSA-N 1 2 358.398 2.856 20 5 FFBDLO CC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@]2(CCOC2)O1 ZINC000619434271 521565485 /nfs/dbraw/zinc/56/54/85/521565485.db2.gz YEIMNKVPFHDZDI-RHSMWYFYSA-N 1 2 372.368 2.966 20 5 FFBDLO CC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@]2(CCOC2)O1 ZINC000619434271 521565490 /nfs/dbraw/zinc/56/54/90/521565490.db2.gz YEIMNKVPFHDZDI-RHSMWYFYSA-N 1 2 372.368 2.966 20 5 FFBDLO Cn1c2c([nH+]c1[C@H]1CCCN1c1ccc3ncc([N+](=O)[O-])n3n1)CCCC2 ZINC000619492909 521596063 /nfs/dbraw/zinc/59/60/63/521596063.db2.gz RRWPAYXDNRHLRY-CQSZACIVSA-N 1 2 367.413 2.591 20 5 FFBDLO Cc1ccc(NCCCNc2[nH+]ccc(C)c2-c2nn[nH]n2)c([N+](=O)[O-])c1 ZINC000826291612 609559026 /nfs/dbraw/zinc/55/90/26/609559026.db2.gz NOMAGXMEZDECEA-UHFFFAOYSA-N 1 2 368.401 2.701 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)Oc2cccc(-n3cc[nH+]c3)c2)c(F)c1 ZINC000159004930 728898972 /nfs/dbraw/zinc/89/89/72/728898972.db2.gz HOKKXTVMLSPVAW-UHFFFAOYSA-N 1 2 363.326 2.687 20 5 FFBDLO CC(C)(CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000898904060 735421265 /nfs/dbraw/zinc/42/12/65/735421265.db2.gz PSDLTHOOTQABEG-UHFFFAOYSA-N 1 2 356.304 2.975 20 5 FFBDLO CCCCCC[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000071809310 728208608 /nfs/dbraw/zinc/20/86/08/728208608.db2.gz SKHCTYBZRQWOFW-UHFFFAOYSA-N 1 2 369.487 2.790 20 5 FFBDLO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC([N@H+](C)CC(F)F)CC1 ZINC000865590971 730973847 /nfs/dbraw/zinc/97/38/47/730973847.db2.gz YHGGJAFVPJUJSC-UHFFFAOYSA-N 1 2 371.310 2.513 20 5 FFBDLO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000865590971 730973848 /nfs/dbraw/zinc/97/38/48/730973848.db2.gz YHGGJAFVPJUJSC-UHFFFAOYSA-N 1 2 371.310 2.513 20 5 FFBDLO CON(C)C(=O)[C@H](CCSC)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872048424 731723786 /nfs/dbraw/zinc/72/37/86/731723786.db2.gz ITGGUNIYISNCFM-PWSUYJOCSA-N 1 2 359.423 2.526 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC000880015712 732820811 /nfs/dbraw/zinc/82/08/11/732820811.db2.gz MSHQWVIXJXQHNC-XYPHTWIQSA-N 1 2 352.456 2.721 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC000880015712 732820813 /nfs/dbraw/zinc/82/08/13/732820813.db2.gz MSHQWVIXJXQHNC-XYPHTWIQSA-N 1 2 352.456 2.721 20 5 FFBDLO COc1c(O)ccc(C[N@@H+]2CCC[C@@](OC)(C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000893874622 734765741 /nfs/dbraw/zinc/76/57/41/734765741.db2.gz LGBZYSYSGPPWRI-AWEZNQCLSA-N 1 2 364.320 2.852 20 5 FFBDLO COc1c(O)ccc(C[N@H+]2CCC[C@@](OC)(C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000893874622 734765744 /nfs/dbraw/zinc/76/57/44/734765744.db2.gz LGBZYSYSGPPWRI-AWEZNQCLSA-N 1 2 364.320 2.852 20 5 FFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@](CO)(C(F)(F)F)C2)c1 ZINC000895846997 735063708 /nfs/dbraw/zinc/06/37/08/735063708.db2.gz SWVRSVBVGCGGAO-ZDUSSCGKSA-N 1 2 370.274 2.943 20 5 FFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)c1 ZINC000895846997 735063712 /nfs/dbraw/zinc/06/37/12/735063712.db2.gz SWVRSVBVGCGGAO-ZDUSSCGKSA-N 1 2 370.274 2.943 20 5 FFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000928643724 738887975 /nfs/dbraw/zinc/88/79/75/738887975.db2.gz LTMYTOZTGUCKAK-ZDUSSCGKSA-N 1 2 367.471 2.547 20 5 FFBDLO C[C@H](c1nnc(SCC[N+](=O)[O-])n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000899861799 735562230 /nfs/dbraw/zinc/56/22/30/735562230.db2.gz YXWQLITVTUHMEU-SNVBAGLBSA-N 1 2 355.851 2.912 20 5 FFBDLO CC(C)(CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000912615777 737324662 /nfs/dbraw/zinc/32/46/62/737324662.db2.gz PVVZSVHOLSMMDX-UHFFFAOYSA-N 1 2 366.805 2.765 20 5 FFBDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000773427753 737905282 /nfs/dbraw/zinc/90/52/82/737905282.db2.gz YZLDLSDLGWDYGE-GFCCVEGCSA-N 1 2 357.204 2.885 20 5 FFBDLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000773427753 737905284 /nfs/dbraw/zinc/90/52/84/737905284.db2.gz YZLDLSDLGWDYGE-GFCCVEGCSA-N 1 2 357.204 2.885 20 5 FFBDLO CCOC(=O)[C@@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774636729 738008283 /nfs/dbraw/zinc/00/82/83/738008283.db2.gz YFOWNBCPXLKFDP-LLVKDONJSA-N 1 2 366.805 2.831 20 5 FFBDLO CCOC(=O)[C@@H]1CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774636729 738008286 /nfs/dbraw/zinc/00/82/86/738008286.db2.gz YFOWNBCPXLKFDP-LLVKDONJSA-N 1 2 366.805 2.831 20 5 FFBDLO COC1(OC)CCOC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000931676094 739307772 /nfs/dbraw/zinc/30/77/72/739307772.db2.gz TXEQFBGSQAIPLO-LBPRGKRZSA-N 1 2 365.213 2.769 20 5 FFBDLO CC[NH+](CC)Cc1csc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)n1 ZINC000801833473 740656034 /nfs/dbraw/zinc/65/60/34/740656034.db2.gz HQKBZMAXWJQZKW-UHFFFAOYSA-N 1 2 367.406 2.867 20 5 FFBDLO Cc1ccc(NCC[N@H+]2CCOC[C@@H]2C)c([N+](=O)[O-])c1Br ZINC000804431169 740872260 /nfs/dbraw/zinc/87/22/60/740872260.db2.gz LBWVOZPGBOQJLY-NSHDSACASA-N 1 2 358.236 2.798 20 5 FFBDLO Cc1ccc(NCC[N@@H+]2CCOC[C@@H]2C)c([N+](=O)[O-])c1Br ZINC000804431169 740872262 /nfs/dbraw/zinc/87/22/62/740872262.db2.gz LBWVOZPGBOQJLY-NSHDSACASA-N 1 2 358.236 2.798 20 5 FFBDLO O=C(c1ccccc1[N+](=O)[O-])N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000813374766 741707121 /nfs/dbraw/zinc/70/71/21/741707121.db2.gz JREMVBRKNARHSE-UHFFFAOYSA-N 1 2 360.439 2.829 20 5 FFBDLO Cc1nn(C[N@@H+]2C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000817369550 742131739 /nfs/dbraw/zinc/13/17/39/742131739.db2.gz CFGNHSOPPZWFSB-RISCZKNCSA-N 1 2 352.435 2.665 20 5 FFBDLO Cc1nn(C[N@H+]2C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000817369550 742131744 /nfs/dbraw/zinc/13/17/44/742131744.db2.gz CFGNHSOPPZWFSB-RISCZKNCSA-N 1 2 352.435 2.665 20 5 FFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)ccc1Br ZINC000822504512 742745536 /nfs/dbraw/zinc/74/55/36/742745536.db2.gz SEKZYGLSXDQXTB-LBPRGKRZSA-N 1 2 366.219 2.786 20 5 FFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](n3ccnn3)C2)ccc1Br ZINC000822504512 742745539 /nfs/dbraw/zinc/74/55/39/742745539.db2.gz SEKZYGLSXDQXTB-LBPRGKRZSA-N 1 2 366.219 2.786 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)cc1Cl ZINC000836273293 746179458 /nfs/dbraw/zinc/17/94/58/746179458.db2.gz WQPPOCLKHSLIIY-MRXNPFEDSA-N 1 2 369.849 2.643 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1Cl ZINC000836779309 746304314 /nfs/dbraw/zinc/30/43/14/746304314.db2.gz DYFAHIHFQUQVJS-LBPRGKRZSA-N 1 2 360.801 2.960 20 5 FFBDLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000844364475 748013678 /nfs/dbraw/zinc/01/36/78/748013678.db2.gz RYUFZGLCFDGMOZ-WQVCFCJDSA-N 1 2 350.415 2.823 20 5 FFBDLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000844364475 748013681 /nfs/dbraw/zinc/01/36/81/748013681.db2.gz RYUFZGLCFDGMOZ-WQVCFCJDSA-N 1 2 350.415 2.823 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]CC1SCCS1)c1cccc([N+](=O)[O-])c1 ZINC000850561725 749388083 /nfs/dbraw/zinc/38/80/83/749388083.db2.gz QONJENVBQDIMPU-AWEZNQCLSA-N 1 2 350.469 2.813 20 5 FFBDLO Cc1noc(C[N@H+](C)C[C@@H](O)c2ccccc2Br)c1[N+](=O)[O-] ZINC000852150397 749786845 /nfs/dbraw/zinc/78/68/45/749786845.db2.gz WMSXLCNBDBEFQX-GFCCVEGCSA-N 1 2 370.203 2.819 20 5 FFBDLO Cc1noc(C[N@@H+](C)C[C@@H](O)c2ccccc2Br)c1[N+](=O)[O-] ZINC000852150397 749786851 /nfs/dbraw/zinc/78/68/51/749786851.db2.gz WMSXLCNBDBEFQX-GFCCVEGCSA-N 1 2 370.203 2.819 20 5 FFBDLO Cc1noc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000852216718 749805707 /nfs/dbraw/zinc/80/57/07/749805707.db2.gz LEYGDWJPGALNBE-JQWIXIFHSA-N 1 2 354.407 2.769 20 5 FFBDLO Cc1noc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000852216718 749805713 /nfs/dbraw/zinc/80/57/13/749805713.db2.gz LEYGDWJPGALNBE-JQWIXIFHSA-N 1 2 354.407 2.769 20 5 FFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000852460537 749866441 /nfs/dbraw/zinc/86/64/41/749866441.db2.gz ASRMDMITYMBTDP-MZPVMMEZSA-N 1 2 367.833 2.934 20 5 FFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000852460537 749866446 /nfs/dbraw/zinc/86/64/46/749866446.db2.gz ASRMDMITYMBTDP-MZPVMMEZSA-N 1 2 367.833 2.934 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000852504178 749878772 /nfs/dbraw/zinc/87/87/72/749878772.db2.gz ZWIACRCYDZAEDH-GMTAPVOTSA-N 1 2 355.822 2.524 20 5 FFBDLO O=C1CCC2=C(CC[N@@H+](Cn3c4cc([N+](=O)[O-])ccc4oc3=S)C2)N1 ZINC000853520745 750081521 /nfs/dbraw/zinc/08/15/21/750081521.db2.gz SSZJHFUZGFHYOX-UHFFFAOYSA-N 1 2 360.395 2.699 20 5 FFBDLO O=C1CCC2=C(CC[N@H+](Cn3c4cc([N+](=O)[O-])ccc4oc3=S)C2)N1 ZINC000853520745 750081531 /nfs/dbraw/zinc/08/15/31/750081531.db2.gz SSZJHFUZGFHYOX-UHFFFAOYSA-N 1 2 360.395 2.699 20 5 FFBDLO O=C(O[C@@H]1CCC[C@H]1n1cccn1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000103834546 971585237 /nfs/dbraw/zinc/58/52/37/971585237.db2.gz CWSJCAHKMXIJCY-NVXWUHKLSA-N 1 2 367.365 2.928 20 5 FFBDLO CCOC(=O)c1cc([N+](=O)[O-])c(N2CCc3c([nH+]cn3CC)C2)cc1C ZINC000896651919 971651890 /nfs/dbraw/zinc/65/18/90/971651890.db2.gz ZOCLVRYZQZJRLC-UHFFFAOYSA-N 1 2 358.398 2.859 20 5 FFBDLO C[C@H](C(=O)N1CCCCCC1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000008474501 1013302611 /nfs/dbraw/zinc/30/26/11/1013302611.db2.gz XPDLKAQZFPTUBG-MRXNPFEDSA-N 1 2 360.458 2.508 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC001175029326 1013371443 /nfs/dbraw/zinc/37/14/43/1013371443.db2.gz BIMSGPYIVYEFFB-VKJFTORMSA-N 1 2 370.409 2.546 20 5 FFBDLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@H]([C@@H]2CCCO2)C1 ZINC000933180869 963676203 /nfs/dbraw/zinc/67/62/03/963676203.db2.gz NUTNBYFQSRWPFQ-DQYPLSBCSA-N 1 2 366.389 2.667 20 5 FFBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@H]([C@@H]2CCCO2)C1 ZINC000933180869 963676208 /nfs/dbraw/zinc/67/62/08/963676208.db2.gz NUTNBYFQSRWPFQ-DQYPLSBCSA-N 1 2 366.389 2.667 20 5 FFBDLO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cnc(C2CC2)o1 ZINC000893052559 970540462 /nfs/dbraw/zinc/54/04/62/970540462.db2.gz DZALLXPORDCUBO-HNNXBMFYSA-N 1 2 357.366 2.892 20 5 FFBDLO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cnc(C2CC2)o1 ZINC000893052559 970540470 /nfs/dbraw/zinc/54/04/70/970540470.db2.gz DZALLXPORDCUBO-HNNXBMFYSA-N 1 2 357.366 2.892 20 5 FFBDLO COC(=O)c1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)oc1C ZINC000007492612 973025172 /nfs/dbraw/zinc/02/51/72/973025172.db2.gz RLWZNNJTOHHOKU-UHFFFAOYSA-N 1 2 359.382 2.605 20 5 FFBDLO CC(C)([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)N1CCCC1 ZINC000796578534 1014385667 /nfs/dbraw/zinc/38/56/67/1014385667.db2.gz ASEQWIWWNMGPPO-UHFFFAOYSA-N 1 2 358.398 2.740 20 5 FFBDLO O=[N+]([O-])c1ccc(OC2C[NH+](C[C@@H](O)CC[C@H](O)c3ccccc3)C2)cc1 ZINC000899882714 977378812 /nfs/dbraw/zinc/37/88/12/977378812.db2.gz BJXZQFDAFFELER-PXNSSMCTSA-N 1 2 372.421 2.533 20 5 FFBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000038575315 978358440 /nfs/dbraw/zinc/35/84/40/978358440.db2.gz PPNLYLSNNOQTLP-UHFFFAOYSA-N 1 2 374.466 2.680 20 5 FFBDLO Cn1nccc1[C@H]1CCC[N@@H+]1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000905742971 980504222 /nfs/dbraw/zinc/50/42/22/980504222.db2.gz WVNYHHAWSFWFHW-GOSISDBHSA-N 1 2 352.398 2.986 20 5 FFBDLO Cn1nccc1[C@H]1CCC[N@H+]1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000905742971 980504225 /nfs/dbraw/zinc/50/42/25/980504225.db2.gz WVNYHHAWSFWFHW-GOSISDBHSA-N 1 2 352.398 2.986 20 5 FFBDLO Cc1cccc2c1CC[N@@H+]([C@H]1CC(=O)N(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000729679932 981285604 /nfs/dbraw/zinc/28/56/04/981285604.db2.gz VMVSOHPDFGZVQB-SFHVURJKSA-N 1 2 365.389 2.593 20 5 FFBDLO Cc1cccc2c1CC[N@H+]([C@H]1CC(=O)N(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000729679932 981285606 /nfs/dbraw/zinc/28/56/06/981285606.db2.gz VMVSOHPDFGZVQB-SFHVURJKSA-N 1 2 365.389 2.593 20 5 FFBDLO Cc1nn(C[N@H+]2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000173452388 985833336 /nfs/dbraw/zinc/83/33/36/985833336.db2.gz PLQDNFZOEVVOOD-AWEZNQCLSA-N 1 2 367.450 2.697 20 5 FFBDLO Cc1nn(C[N@@H+]2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000173452388 985833346 /nfs/dbraw/zinc/83/33/46/985833346.db2.gz PLQDNFZOEVVOOD-AWEZNQCLSA-N 1 2 367.450 2.697 20 5 FFBDLO COc1ccc(NC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000444928834 986115217 /nfs/dbraw/zinc/11/52/17/986115217.db2.gz HRMWRXHFJCWGDZ-GFCCVEGCSA-N 1 2 359.386 2.748 20 5 FFBDLO CN1CC[NH+](Cc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3F)c2)CC1 ZINC000920017531 990781435 /nfs/dbraw/zinc/78/14/35/990781435.db2.gz KFYJOTYMDYWZBW-UHFFFAOYSA-N 1 2 372.400 2.734 20 5 FFBDLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000067990868 991297377 /nfs/dbraw/zinc/29/73/77/991297377.db2.gz VIPHWQGFOJVVAE-UHFFFAOYSA-N 1 2 358.304 2.989 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H]1COC(=O)NC1CC1 ZINC000810036674 994683395 /nfs/dbraw/zinc/68/33/95/994683395.db2.gz NLSHBDFDLCOASR-INIZCTEOSA-N 1 2 363.414 2.847 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@H]1COC(=O)NC1CC1 ZINC000810036674 994683399 /nfs/dbraw/zinc/68/33/99/994683399.db2.gz NLSHBDFDLCOASR-INIZCTEOSA-N 1 2 363.414 2.847 20 5 FFBDLO CC(C)n1ccc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000813171220 995633452 /nfs/dbraw/zinc/63/34/52/995633452.db2.gz GSTIKQYZRANMOS-INIZCTEOSA-N 1 2 358.398 2.804 20 5 FFBDLO CC(C)n1ccc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000813171220 995633458 /nfs/dbraw/zinc/63/34/58/995633458.db2.gz GSTIKQYZRANMOS-INIZCTEOSA-N 1 2 358.398 2.804 20 5 FFBDLO Cc1nn(C[NH+]2CCC(Cc3nc([C@H]4C[C@@H]4C)no3)CC2)c(C)c1[N+](=O)[O-] ZINC000844729992 998102082 /nfs/dbraw/zinc/10/20/82/998102082.db2.gz AMKJRBOQQHJHRN-NHYWBVRUSA-N 1 2 374.445 2.827 20 5 FFBDLO C[C@H](CC(=O)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)n1cc[nH+]c1 ZINC000845524248 998576299 /nfs/dbraw/zinc/57/62/99/998576299.db2.gz QXBSBAXMWRNNIG-OCCSQVGLSA-N 1 2 362.361 2.704 20 5 FFBDLO COc1ccc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cn1 ZINC000744315993 999852135 /nfs/dbraw/zinc/85/21/35/999852135.db2.gz JURODDQDUSNWLZ-UHFFFAOYSA-N 1 2 354.322 2.541 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CCCN(CC(F)F)CC3)c2)cc1 ZINC000766369855 999989216 /nfs/dbraw/zinc/98/92/16/999989216.db2.gz NIHFCAYPXRSOTR-UHFFFAOYSA-N 1 2 365.384 2.689 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3CCCN(CC(F)F)CC3)c2)cc1 ZINC000766369855 999989217 /nfs/dbraw/zinc/98/92/17/999989217.db2.gz NIHFCAYPXRSOTR-UHFFFAOYSA-N 1 2 365.384 2.689 20 5 FFBDLO Cc1cccc([C@H](CNc2ccc(N)cc2[N+](=O)[O-])[NH+]2CCOCC2)c1 ZINC000786576950 1001601360 /nfs/dbraw/zinc/60/13/60/1001601360.db2.gz XEIPEZRNBZXPDT-IBGZPJMESA-N 1 2 356.426 2.971 20 5 FFBDLO O=C(OCc1ccc([N+](=O)[O-])cc1F)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000746990211 1002620166 /nfs/dbraw/zinc/62/01/66/1002620166.db2.gz RNQIJHJMXVXYSK-SFHVURJKSA-N 1 2 374.368 2.678 20 5 FFBDLO O=C(OCc1ccc([N+](=O)[O-])cc1F)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000746990211 1002620168 /nfs/dbraw/zinc/62/01/68/1002620168.db2.gz RNQIJHJMXVXYSK-SFHVURJKSA-N 1 2 374.368 2.678 20 5 FFBDLO Cc1ccccc1C[N@@H+]1CCO[C@H](c2noc(CCC(C)(C)[N+](=O)[O-])n2)C1 ZINC000867181701 1003826435 /nfs/dbraw/zinc/82/64/35/1003826435.db2.gz NNUYIKYBBXLXKV-INIZCTEOSA-N 1 2 374.441 2.939 20 5 FFBDLO Cc1ccccc1C[N@H+]1CCO[C@H](c2noc(CCC(C)(C)[N+](=O)[O-])n2)C1 ZINC000867181701 1003826448 /nfs/dbraw/zinc/82/64/48/1003826448.db2.gz NNUYIKYBBXLXKV-INIZCTEOSA-N 1 2 374.441 2.939 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001196909208 1004010254 /nfs/dbraw/zinc/01/02/54/1004010254.db2.gz UDVPFOJEGLHMMB-QGZVFWFLSA-N 1 2 361.354 2.509 20 5 FFBDLO Cc1[nH]c([C@H]2CCCN2S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)[nH+]c1C ZINC001194803424 1004818396 /nfs/dbraw/zinc/81/83/96/1004818396.db2.gz WPVOHBDZMJKVNK-CQSZACIVSA-N 1 2 364.427 2.769 20 5 FFBDLO Cc1[nH]c([C@H]2CCCN2S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[nH+]c1C ZINC001194803197 1004818542 /nfs/dbraw/zinc/81/85/42/1004818542.db2.gz VBXKWXXUTOKZRN-CYBMUJFWSA-N 1 2 368.390 2.600 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC2(CCCCO2)CC1 ZINC000882429943 1006395255 /nfs/dbraw/zinc/39/52/55/1006395255.db2.gz LZLAIXXBKPDURM-UHFFFAOYSA-N 1 2 370.409 2.956 20 5 FFBDLO CC1(C)CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)O1 ZINC001134792380 1006482755 /nfs/dbraw/zinc/48/27/55/1006482755.db2.gz KDGHSYSFHTWYBA-AWEZNQCLSA-N 1 2 358.398 2.858 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000775166855 1006571549 /nfs/dbraw/zinc/57/15/49/1006571549.db2.gz BLSFOTXZHCFHNN-ZWKOTPCHSA-N 1 2 370.384 2.880 20 5 FFBDLO CCc1nc(C)c(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)o1 ZINC000816092927 1006898396 /nfs/dbraw/zinc/89/83/96/1006898396.db2.gz VDAICRWQHPDPOL-HNNXBMFYSA-N 1 2 359.382 2.885 20 5 FFBDLO CCc1nc(C)c(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)o1 ZINC000816092927 1006898408 /nfs/dbraw/zinc/89/84/08/1006898408.db2.gz VDAICRWQHPDPOL-HNNXBMFYSA-N 1 2 359.382 2.885 20 5 FFBDLO Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])C2)nc1 ZINC000858038728 1008286342 /nfs/dbraw/zinc/28/63/42/1008286342.db2.gz WVVJGENTUBQJQV-OAHLLOKOSA-N 1 2 370.409 2.698 20 5 FFBDLO Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])C2)nc1 ZINC000858038728 1008286344 /nfs/dbraw/zinc/28/63/44/1008286344.db2.gz WVVJGENTUBQJQV-OAHLLOKOSA-N 1 2 370.409 2.698 20 5 FFBDLO Nc1nccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1[N+](=O)[O-] ZINC001136461032 1008474142 /nfs/dbraw/zinc/47/41/42/1008474142.db2.gz VKUBOOXDBAABMZ-UHFFFAOYSA-N 1 2 358.745 2.663 20 5 FFBDLO Cc1ccccc1C(=O)NC1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886049782 1008525357 /nfs/dbraw/zinc/52/53/57/1008525357.db2.gz URJHHGYCMFRJIW-UHFFFAOYSA-N 1 2 354.410 2.693 20 5 FFBDLO Cc1cc(NCCNC(=O)c2cc([N+](=O)[O-])ccc2F)nc(C(C)C)[nH+]1 ZINC000862860443 1010019378 /nfs/dbraw/zinc/01/93/78/1010019378.db2.gz BPUVJTZZBNUIKV-UHFFFAOYSA-N 1 2 361.377 2.798 20 5 FFBDLO O=C(N[C@@H]1CCOC12CCCC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000890409174 1010399258 /nfs/dbraw/zinc/39/92/58/1010399258.db2.gz DPMHBFKUTHRUGI-MRXNPFEDSA-N 1 2 356.382 2.612 20 5 FFBDLO C[C@@H]1C[N@H+](Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)[C@@H]2CCCC[C@@H]21 ZINC000794639658 1010438132 /nfs/dbraw/zinc/43/81/32/1010438132.db2.gz NFHSVDRIUMBPKD-UMVBOHGHSA-N 1 2 358.398 2.880 20 5 FFBDLO C[C@@H]1C[N@@H+](Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)[C@@H]2CCCC[C@@H]21 ZINC000794639658 1010438140 /nfs/dbraw/zinc/43/81/40/1010438140.db2.gz NFHSVDRIUMBPKD-UMVBOHGHSA-N 1 2 358.398 2.880 20 5 FFBDLO CCOc1ccc(C[N@H+](C)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)cc1 ZINC000794617629 1010443323 /nfs/dbraw/zinc/44/33/23/1010443323.db2.gz ZZBZILICYSRHSA-UHFFFAOYSA-N 1 2 357.366 2.991 20 5 FFBDLO CCOc1ccc(C[N@@H+](C)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)cc1 ZINC000794617629 1010443332 /nfs/dbraw/zinc/44/33/32/1010443332.db2.gz ZZBZILICYSRHSA-UHFFFAOYSA-N 1 2 357.366 2.991 20 5 FFBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CN1C[C@@H]([C@H]2CCCO2)CC1=O ZINC000902067021 1019778453 /nfs/dbraw/zinc/77/84/53/1019778453.db2.gz HSUHTNBJYBDHLQ-FUHWJXTLSA-N 1 2 361.442 2.790 20 5 FFBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)CN1C[C@@H]([C@H]2CCCO2)CC1=O ZINC000902067021 1019778466 /nfs/dbraw/zinc/77/84/66/1019778466.db2.gz HSUHTNBJYBDHLQ-FUHWJXTLSA-N 1 2 361.442 2.790 20 5 FFBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000929991228 1019798048 /nfs/dbraw/zinc/79/80/48/1019798048.db2.gz WFHPTYMYMRPDAM-SJORKVTESA-N 1 2 354.410 2.590 20 5 FFBDLO CCOC(=O)C1CC[NH+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000777951037 1020300671 /nfs/dbraw/zinc/30/06/71/1020300671.db2.gz OIEAFYKODUWBFF-UHFFFAOYSA-N 1 2 358.398 2.691 20 5 FFBDLO CC1CCC2(CC(=O)N(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000800865423 1020608499 /nfs/dbraw/zinc/60/84/99/1020608499.db2.gz BNIFTMZSLVJPLD-UHFFFAOYSA-N 1 2 373.453 2.982 20 5 FFBDLO CC1CCC2(CC(=O)N(C[N@@H+](C)CCc3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000800865423 1020608505 /nfs/dbraw/zinc/60/85/05/1020608505.db2.gz BNIFTMZSLVJPLD-UHFFFAOYSA-N 1 2 373.453 2.982 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)cc1 ZINC000931931049 1020634872 /nfs/dbraw/zinc/63/48/72/1020634872.db2.gz KTGCGIIGSGKJMI-APWZRJJASA-N 1 2 372.446 2.642 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)cc1 ZINC000931931049 1020634875 /nfs/dbraw/zinc/63/48/75/1020634875.db2.gz KTGCGIIGSGKJMI-APWZRJJASA-N 1 2 372.446 2.642 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)cc1 ZINC000931931051 1020635138 /nfs/dbraw/zinc/63/51/38/1020635138.db2.gz KTGCGIIGSGKJMI-QFBILLFUSA-N 1 2 372.446 2.642 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)cc1 ZINC000931931051 1020635142 /nfs/dbraw/zinc/63/51/42/1020635142.db2.gz KTGCGIIGSGKJMI-QFBILLFUSA-N 1 2 372.446 2.642 20 5 FFBDLO COc1cc(C[N@@H+]2CCC[C@H]2C2OCCO2)c([N+](=O)[O-])cc1OC(F)F ZINC000933906682 1021113639 /nfs/dbraw/zinc/11/36/39/1021113639.db2.gz MBTLCNIBHCYPRU-NSHDSACASA-N 1 2 374.340 2.542 20 5 FFBDLO COc1cc(C[N@H+]2CCC[C@H]2C2OCCO2)c([N+](=O)[O-])cc1OC(F)F ZINC000933906682 1021113642 /nfs/dbraw/zinc/11/36/42/1021113642.db2.gz MBTLCNIBHCYPRU-NSHDSACASA-N 1 2 374.340 2.542 20 5 FFBDLO Cc1cc2nc3nc(=O)[nH]c(O[C@@H]4CCC[C@]45CC[NH2+]C5)c3nc2cc1C ZINC001218092358 1032991701 /nfs/dbraw/zinc/99/17/01/1032991701.db2.gz HPRDUMPGQIDDIA-FOIQADDNSA-N 1 2 365.437 2.806 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000935683704 1021816000 /nfs/dbraw/zinc/81/60/00/1021816000.db2.gz OHNDQLPLFMYDCO-CQSZACIVSA-N 1 2 360.389 2.806 20 5 FFBDLO O=[N+]([O-])c1c2c(cc(Br)c1O[C@@H]1C[NH2+]CC1(F)F)CCC2 ZINC001218239609 1033067135 /nfs/dbraw/zinc/06/71/35/1033067135.db2.gz PBFSJMWHZJYMOS-SNVBAGLBSA-N 1 2 363.158 2.832 20 5 FFBDLO Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)OCc2cn(C)nc2[N+](=O)[O-])c1 ZINC001119350547 1022704314 /nfs/dbraw/zinc/70/43/14/1022704314.db2.gz CPGXGXWUDCHEKY-KRWDZBQOSA-N 1 2 372.425 2.735 20 5 FFBDLO Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)OCc2cn(C)nc2[N+](=O)[O-])c1 ZINC001119350547 1022704327 /nfs/dbraw/zinc/70/43/27/1022704327.db2.gz CPGXGXWUDCHEKY-KRWDZBQOSA-N 1 2 372.425 2.735 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000755348631 1023593574 /nfs/dbraw/zinc/59/35/74/1023593574.db2.gz ZWUVSMWLAAATJT-UHFFFAOYSA-N 1 2 352.350 2.719 20 5 FFBDLO COC(=O)[C@@H]1CCCC[C@H]1OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000755793092 1023637411 /nfs/dbraw/zinc/63/74/11/1023637411.db2.gz QLSIMHDYYFFCIT-CZUORRHYSA-N 1 2 373.365 2.669 20 5 FFBDLO O=C([C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001123984954 1024198177 /nfs/dbraw/zinc/19/81/77/1024198177.db2.gz APGGCXUXRFBMPY-ROUUACIJSA-N 1 2 354.410 2.903 20 5 FFBDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000759155981 1024497837 /nfs/dbraw/zinc/49/78/37/1024497837.db2.gz AWWALFZZVKHZQM-QGZVFWFLSA-N 1 2 367.413 2.690 20 5 FFBDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000759155981 1024497843 /nfs/dbraw/zinc/49/78/43/1024497843.db2.gz AWWALFZZVKHZQM-QGZVFWFLSA-N 1 2 367.413 2.690 20 5 FFBDLO O=C(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839534119 1026719300 /nfs/dbraw/zinc/71/93/00/1026719300.db2.gz CQKWBDSCPZZJQH-ZACQAIPSSA-N 1 2 371.462 2.629 20 5 FFBDLO O=C(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839534119 1026719313 /nfs/dbraw/zinc/71/93/13/1026719313.db2.gz CQKWBDSCPZZJQH-ZACQAIPSSA-N 1 2 371.462 2.629 20 5 FFBDLO CO[C@@H]1CC[N@H+](Cn2cc(C)n(-c3ccccc3[N+](=O)[O-])c2=O)CC1(C)C ZINC000840126683 1026970246 /nfs/dbraw/zinc/97/02/46/1026970246.db2.gz VKQPQTPAMRLAEI-QGZVFWFLSA-N 1 2 374.441 2.560 20 5 FFBDLO CO[C@@H]1CC[N@@H+](Cn2cc(C)n(-c3ccccc3[N+](=O)[O-])c2=O)CC1(C)C ZINC000840126683 1026970251 /nfs/dbraw/zinc/97/02/51/1026970251.db2.gz VKQPQTPAMRLAEI-QGZVFWFLSA-N 1 2 374.441 2.560 20 5 FFBDLO Cn1c2ccccc2c(NCCCNc2cccc[nH+]2)c([N+](=O)[O-])c1=O ZINC001162176864 1028461429 /nfs/dbraw/zinc/46/14/29/1028461429.db2.gz MULZOHMMKCNHPT-UHFFFAOYSA-N 1 2 353.382 2.756 20 5 FFBDLO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cn1ncc3ccc([N+](=O)[O-])cc31)C[C@H](C)O2 ZINC000797418102 1031105235 /nfs/dbraw/zinc/10/52/35/1031105235.db2.gz QYYAJTDNRVIYLS-GLJUWKHASA-N 1 2 360.414 2.560 20 5 FFBDLO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cn1ncc3ccc([N+](=O)[O-])cc31)C[C@H](C)O2 ZINC000797418102 1031105241 /nfs/dbraw/zinc/10/52/41/1031105241.db2.gz QYYAJTDNRVIYLS-GLJUWKHASA-N 1 2 360.414 2.560 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001225612952 1034333113 /nfs/dbraw/zinc/33/31/13/1034333113.db2.gz LAUSFQDKGNINPS-KRWDZBQOSA-N 1 2 358.394 2.883 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001225612952 1034333121 /nfs/dbraw/zinc/33/31/21/1034333121.db2.gz LAUSFQDKGNINPS-KRWDZBQOSA-N 1 2 358.394 2.883 20 5 FFBDLO Cc1ccnc(O[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC001226120347 1034534830 /nfs/dbraw/zinc/53/48/30/1034534830.db2.gz UJMUHLCANAPBNE-WBVHZDCISA-N 1 2 357.410 2.967 20 5 FFBDLO Cc1ccnc(O[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC001226120347 1034534833 /nfs/dbraw/zinc/53/48/33/1034534833.db2.gz UJMUHLCANAPBNE-WBVHZDCISA-N 1 2 357.410 2.967 20 5 FFBDLO O=c1c2cc(O[C@H]3C[NH+]4CCC3CC4)c(O)cc2oc2cccc(O)c21 ZINC001227305849 1035501585 /nfs/dbraw/zinc/50/15/85/1035501585.db2.gz ASPCYEWSVKQJJX-SFHVURJKSA-N 1 2 353.374 2.830 20 5 FFBDLO Cc1ccc(C(=O)c2cc(O)c(O[C@H]3CC[N@@H+](C)C3)c([N+](=O)[O-])c2)cc1 ZINC001227699590 1035684621 /nfs/dbraw/zinc/68/46/21/1035684621.db2.gz IGRDPIYXOYOFDP-HNNXBMFYSA-N 1 2 356.378 2.923 20 5 FFBDLO Cc1ccc(C(=O)c2cc(O)c(O[C@H]3CC[N@H+](C)C3)c([N+](=O)[O-])c2)cc1 ZINC001227699590 1035684631 /nfs/dbraw/zinc/68/46/31/1035684631.db2.gz IGRDPIYXOYOFDP-HNNXBMFYSA-N 1 2 356.378 2.923 20 5 FFBDLO CO[C@@H]1C[C@H](OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C12CCC2 ZINC000835880106 1036064267 /nfs/dbraw/zinc/06/42/67/1036064267.db2.gz APYZTIZXBAEEKL-CVEARBPZSA-N 1 2 357.366 2.895 20 5 FFBDLO CC[N@@H+]1CCC[C@@H](Oc2cc(O)cc3oc4c(O)ccc(O)c4c(=O)c23)C1 ZINC001234125666 1036927749 /nfs/dbraw/zinc/92/77/49/1036927749.db2.gz WBZOMGZHNXDGAQ-GFCCVEGCSA-N 1 2 371.389 2.926 20 5 FFBDLO CC[N@H+]1CCC[C@@H](Oc2cc(O)cc3oc4c(O)ccc(O)c4c(=O)c23)C1 ZINC001234125666 1036927768 /nfs/dbraw/zinc/92/77/68/1036927768.db2.gz WBZOMGZHNXDGAQ-GFCCVEGCSA-N 1 2 371.389 2.926 20 5 FFBDLO C[NH+]1CCN(c2ccc3[nH]c(-c4cc([N+](=O)[O-])ccc4[O-])[nH+]c3c2)CC1 ZINC001251044971 1038910706 /nfs/dbraw/zinc/91/07/06/1038910706.db2.gz CUBMLYCLGCCVMV-UHFFFAOYSA-N 1 2 353.382 2.596 20 5 FFBDLO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)ccc1N1CC[NH+](C)CC1 ZINC001320492513 1045417664 /nfs/dbraw/zinc/41/76/64/1045417664.db2.gz YGMSIMVGRQWPEO-UHFFFAOYSA-N 1 2 370.409 2.613 20 5 FFBDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1Br ZINC001325725138 1046623446 /nfs/dbraw/zinc/62/34/46/1046623446.db2.gz FGCVOJVZEJMFSO-CYBMUJFWSA-N 1 2 357.204 2.885 20 5 FFBDLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1Br ZINC001325725138 1046623449 /nfs/dbraw/zinc/62/34/49/1046623449.db2.gz FGCVOJVZEJMFSO-CYBMUJFWSA-N 1 2 357.204 2.885 20 5 FFBDLO COC(=O)c1cnc(NCCn2c[nH+]cc2-c2ccccc2)c([N+](=O)[O-])c1 ZINC001307178145 1052261946 /nfs/dbraw/zinc/26/19/46/1052261946.db2.gz RVHNVFXNOIAPLZ-UHFFFAOYSA-N 1 2 367.365 2.752 20 5 FFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)[C@H]1CCCCN(C)C1=O ZINC001307981524 1052374697 /nfs/dbraw/zinc/37/46/97/1052374697.db2.gz AYWQFMWJGXKVTG-WFASDCNBSA-N 1 2 373.413 2.649 20 5 FFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)[C@H]1CCCCN(C)C1=O ZINC001307981524 1052374699 /nfs/dbraw/zinc/37/46/99/1052374699.db2.gz AYWQFMWJGXKVTG-WFASDCNBSA-N 1 2 373.413 2.649 20 5 FFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)[C@@H]1CCCCN(C)C1=O ZINC001307981522 1052374805 /nfs/dbraw/zinc/37/48/05/1052374805.db2.gz AYWQFMWJGXKVTG-IUODEOHRSA-N 1 2 373.413 2.649 20 5 FFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)[C@@H]1CCCCN(C)C1=O ZINC001307981522 1052374811 /nfs/dbraw/zinc/37/48/11/1052374811.db2.gz AYWQFMWJGXKVTG-IUODEOHRSA-N 1 2 373.413 2.649 20 5 FFBDLO O=C(C[NH2+]Cc1c(Br)cccc1[N+](=O)[O-])NC1CCCCC1 ZINC001308249370 1052436736 /nfs/dbraw/zinc/43/67/36/1052436736.db2.gz FFXDSHKSPCFIEA-UHFFFAOYSA-N 1 2 370.247 2.896 20 5 FFBDLO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001347821528 1054354993 /nfs/dbraw/zinc/35/49/93/1054354993.db2.gz MGPFQOOLVVYDLB-UHFFFAOYSA-N 1 2 371.441 2.534 20 5 FFBDLO COc1cccc([C@H]2CN(C(=O)c3c(C)c(F)ccc3[N+](=O)[O-])CC[NH2+]2)c1 ZINC001353776693 1058204751 /nfs/dbraw/zinc/20/47/51/1058204751.db2.gz DDCTUVLNZZBTDN-MRXNPFEDSA-N 1 2 373.384 2.838 20 5 FFBDLO COC(=O)c1cc(NC(=O)c2ccn3c(C)c[nH+]c3c2)c(C)c([N+](=O)[O-])c1 ZINC001520442199 1059688264 /nfs/dbraw/zinc/68/82/64/1059688264.db2.gz TXFKUKQFKPGCHQ-UHFFFAOYSA-N 1 2 368.349 2.898 20 5 FFBDLO CCOC(=O)N[C@H]1CCC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848476193 1060095584 /nfs/dbraw/zinc/09/55/84/1060095584.db2.gz ZBWRQARLQYGTHN-HNNXBMFYSA-N 1 2 373.413 2.626 20 5 FFBDLO CCOC(=O)N[C@H]1CCC[N@@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848476193 1060095606 /nfs/dbraw/zinc/09/56/06/1060095606.db2.gz ZBWRQARLQYGTHN-HNNXBMFYSA-N 1 2 373.413 2.626 20 5 FFBDLO O=C(N1CCC(c2c[nH]c[nH+]2)CC1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848585174 1060314588 /nfs/dbraw/zinc/31/45/88/1060314588.db2.gz MUQXKJIHUYOEKY-UHFFFAOYSA-N 1 2 366.324 2.696 20 5 FFBDLO O=C(N1CCC(c2c[nH+]c[nH]2)CC1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848585174 1060314609 /nfs/dbraw/zinc/31/46/09/1060314609.db2.gz MUQXKJIHUYOEKY-UHFFFAOYSA-N 1 2 366.324 2.696 20 5 FFBDLO C[C@@H](O)CNc1[nH+]c2ccccc2n1CCOc1cccc([N+](=O)[O-])c1 ZINC000542054683 1060939718 /nfs/dbraw/zinc/93/97/18/1060939718.db2.gz SLNHNIOCRMUYDS-CYBMUJFWSA-N 1 2 356.382 2.816 20 5 FFBDLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C)[C@H](C(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC001475653097 1061183589 /nfs/dbraw/zinc/18/35/89/1061183589.db2.gz FDMBUQHLRIFETE-HNNXBMFYSA-N 1 2 369.487 2.562 20 5 FFBDLO Cc1ccc(S(=O)(=O)N2CC[N@H+](C)[C@H](C(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC001475653097 1061183595 /nfs/dbraw/zinc/18/35/95/1061183595.db2.gz FDMBUQHLRIFETE-HNNXBMFYSA-N 1 2 369.487 2.562 20 5 FFBDLO Cc1cc(C)c(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2CC(C)C)cc1[N+](=O)[O-] ZINC001475716778 1061228463 /nfs/dbraw/zinc/22/84/63/1061228463.db2.gz IZYNLSHADJVDCG-OAHLLOKOSA-N 1 2 369.487 2.562 20 5 FFBDLO Cc1cc(C)c(S(=O)(=O)N2CC[N@H+](C)C[C@H]2CC(C)C)cc1[N+](=O)[O-] ZINC001475716778 1061228482 /nfs/dbraw/zinc/22/84/82/1061228482.db2.gz IZYNLSHADJVDCG-OAHLLOKOSA-N 1 2 369.487 2.562 20 5 FFBDLO CNc1cc(CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC001478069441 1061893402 /nfs/dbraw/zinc/89/34/02/1061893402.db2.gz IUXDATFKKIXWTQ-UHFFFAOYSA-N 1 2 357.414 2.854 20 5 FFBDLO C[NH+](C)Cc1nc(CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)co1 ZINC001467063770 1063625912 /nfs/dbraw/zinc/62/59/12/1063625912.db2.gz BSBLWJZPVMLRGK-UHFFFAOYSA-N 1 2 370.369 2.514 20 5 FFBDLO CN(C)c1[nH+]ccc2cc(NC(=O)c3cc([N+](=O)[O-])c[nH]c3=O)ccc21 ZINC001472564269 1065098343 /nfs/dbraw/zinc/09/83/43/1065098343.db2.gz ADFVXSGWNBKJAD-UHFFFAOYSA-N 1 2 353.338 2.562 20 5 FFBDLO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC001472855717 1065159327 /nfs/dbraw/zinc/15/93/27/1065159327.db2.gz MWNLNHWZGIWKHJ-KRWDZBQOSA-N 1 2 373.457 2.741 20 5 FFBDLO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC001472855717 1065159332 /nfs/dbraw/zinc/15/93/32/1065159332.db2.gz MWNLNHWZGIWKHJ-KRWDZBQOSA-N 1 2 373.457 2.741 20 5 FFBDLO CCOC(=O)[C@]1(F)C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC001473634175 1065303064 /nfs/dbraw/zinc/30/30/64/1065303064.db2.gz FCGBITJXCUIUTL-GOSISDBHSA-N 1 2 366.389 2.731 20 5 FFBDLO CCOC(=O)[C@]1(F)C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC001473634175 1065303073 /nfs/dbraw/zinc/30/30/73/1065303073.db2.gz FCGBITJXCUIUTL-GOSISDBHSA-N 1 2 366.389 2.731 20 5 FFBDLO Cc1noc(C[N@@H+]2C3CCC2(CNC(=O)OC(C)(C)C)CC3)c1[N+](=O)[O-] ZINC001473874520 1065400570 /nfs/dbraw/zinc/40/05/70/1065400570.db2.gz AVHHSENSMTZYCV-UHFFFAOYSA-N 1 2 366.418 2.913 20 5 FFBDLO Cc1noc(C[N@H+]2C3CCC2(CNC(=O)OC(C)(C)C)CC3)c1[N+](=O)[O-] ZINC001473874520 1065400575 /nfs/dbraw/zinc/40/05/75/1065400575.db2.gz AVHHSENSMTZYCV-UHFFFAOYSA-N 1 2 366.418 2.913 20 5 FFBDLO C[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1noc(Cc2ccccc2)n1 ZINC001474474360 1065531797 /nfs/dbraw/zinc/53/17/97/1065531797.db2.gz MKWGROZGAVDVBG-LRVUVFPRSA-N 1 2 368.397 2.819 20 5 FFBDLO CC(C)c1[nH]cc(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)[nH+]1 ZINC001558560525 1076032381 /nfs/dbraw/zinc/03/23/81/1076032381.db2.gz KOJQOCAXIIAZTK-UHFFFAOYSA-N 1 2 360.370 2.533 20 5 FFBDLO CC(C)c1[nH]c(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)c[nH+]1 ZINC001558560525 1076032388 /nfs/dbraw/zinc/03/23/88/1076032388.db2.gz KOJQOCAXIIAZTK-UHFFFAOYSA-N 1 2 360.370 2.533 20 5 FFBDLO CCOc1cc([N+](=O)[O-])c(C(=O)NCc2c[nH]c(C(C)C)[nH+]2)cc1OC ZINC001558561652 1076033809 /nfs/dbraw/zinc/03/38/09/1076033809.db2.gz TWWOMWQGTCMMQJ-UHFFFAOYSA-N 1 2 362.386 2.779 20 5 FFBDLO CCOc1cc([N+](=O)[O-])c(C(=O)NCc2c[nH+]c(C(C)C)[nH]2)cc1OC ZINC001558561652 1076033816 /nfs/dbraw/zinc/03/38/16/1076033816.db2.gz TWWOMWQGTCMMQJ-UHFFFAOYSA-N 1 2 362.386 2.779 20 5 FFBDLO C[C@@H](Cc1cccnc1)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001586276807 1079588208 /nfs/dbraw/zinc/58/82/08/1079588208.db2.gz XEGVVKRLDUTZNJ-ZDUSSCGKSA-N 1 2 351.366 2.537 20 5 FFBDLO CC1(c2nccc(NC(=O)c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)n2)CC1 ZINC001586746149 1079679340 /nfs/dbraw/zinc/67/93/40/1079679340.db2.gz XGRCOSUVVPXSTH-UHFFFAOYSA-N 1 2 364.365 2.874 20 5 FFBDLO COc1ccc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)c2[nH+]ccn2C)cc1 ZINC000008725654 204341658 /nfs/dbraw/zinc/34/16/58/204341658.db2.gz NKSNDCXVPZKDRB-KRWDZBQOSA-N 1 2 366.377 2.856 20 5 FFBDLO Cc1c(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cccc1[N+](=O)[O-] ZINC000108999878 206043209 /nfs/dbraw/zinc/04/32/09/206043209.db2.gz GCACRIITJFQNLJ-UHFFFAOYSA-N 1 2 355.394 2.988 20 5 FFBDLO C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000016564755 249323939 /nfs/dbraw/zinc/32/39/39/249323939.db2.gz QXXBLROWEJRTHA-HNNXBMFYSA-N 1 2 360.458 2.554 20 5 FFBDLO COc1cc(CNC[C@H](c2ccco2)[NH+]2CCCC2)c([N+](=O)[O-])cc1O ZINC000101588794 250081366 /nfs/dbraw/zinc/08/13/66/250081366.db2.gz RWZSSMSAKFMPNX-OAHLLOKOSA-N 1 2 361.398 2.829 20 5 FFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](Cc2cccnc2)CC1 ZINC000117751055 250360312 /nfs/dbraw/zinc/36/03/12/250360312.db2.gz ATXMVKGXGFLIMJ-UHFFFAOYSA-N 1 2 374.828 2.530 20 5 FFBDLO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000276890386 256140343 /nfs/dbraw/zinc/14/03/43/256140343.db2.gz UHLFDTLOPKEUBK-CYBMUJFWSA-N 1 2 364.427 2.503 20 5 FFBDLO Cn1nccc1C1=CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000285767637 257003528 /nfs/dbraw/zinc/00/35/28/257003528.db2.gz XRQJZKYDLULKHE-UHFFFAOYSA-N 1 2 366.381 2.668 20 5 FFBDLO Cn1nccc1C1=CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000285767637 257003529 /nfs/dbraw/zinc/00/35/29/257003529.db2.gz XRQJZKYDLULKHE-UHFFFAOYSA-N 1 2 366.381 2.668 20 5 FFBDLO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[NH+](Cc2ccncc2)CC1 ZINC000278397426 256307986 /nfs/dbraw/zinc/30/79/86/256307986.db2.gz MQKJAQXXGDHFQQ-UHFFFAOYSA-N 1 2 367.331 2.726 20 5 FFBDLO Cc1c[nH+]ccc1OC1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000278525383 256322353 /nfs/dbraw/zinc/32/23/53/256322353.db2.gz GRSXJXGZORTMSJ-UHFFFAOYSA-N 1 2 357.366 2.687 20 5 FFBDLO COc1ccc(C[NH2+][C@@H](C(=O)NC2CC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000298893754 257947563 /nfs/dbraw/zinc/94/75/63/257947563.db2.gz ZIQZCVCPZGJKAD-GOSISDBHSA-N 1 2 355.394 2.713 20 5 FFBDLO Cc1cccc(N2CC[NH+](CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000302504270 258104280 /nfs/dbraw/zinc/10/42/80/258104280.db2.gz PSTBGUWNWXAJBO-IYBDPMFKSA-N 1 2 374.485 2.530 20 5 FFBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1-n1cc[nH+]c1 ZINC000302679529 258107709 /nfs/dbraw/zinc/10/77/09/258107709.db2.gz RIQWYGMQPDLUCX-UHFFFAOYSA-N 1 2 351.366 2.752 20 5 FFBDLO CC(C)OCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000301460708 258050718 /nfs/dbraw/zinc/05/07/18/258050718.db2.gz YOXSOVJUSPOXCK-UHFFFAOYSA-N 1 2 372.263 2.904 20 5 FFBDLO O=[N+]([O-])c1cnc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)nn21 ZINC000301958776 258078140 /nfs/dbraw/zinc/07/81/40/258078140.db2.gz LSEJTTDSGUBYCU-UHFFFAOYSA-N 1 2 372.816 2.613 20 5 FFBDLO C[C@@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[NH+]1CCSCC1 ZINC000330626254 258166816 /nfs/dbraw/zinc/16/68/16/258166816.db2.gz IRCNSEJSXDLNIN-VIFPVBQESA-N 1 2 374.260 2.733 20 5 FFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000331969628 258208098 /nfs/dbraw/zinc/20/80/98/258208098.db2.gz LLBQCTWYHRQYNJ-INIZCTEOSA-N 1 2 374.485 2.722 20 5 FFBDLO Cc1cc(N2CC[S@@](=O)CC[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000373030005 512139875 /nfs/dbraw/zinc/13/98/75/512139875.db2.gz OHYIPGUSHSXKGN-SHZVTRLKSA-N 1 2 360.439 2.708 20 5 FFBDLO O=C(NCCNc1cccc[nH+]1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000065308671 506285333 /nfs/dbraw/zinc/28/53/33/506285333.db2.gz HYVANHVMESTALF-UHFFFAOYSA-N 1 2 369.406 2.955 20 5 FFBDLO CCn1c(Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)[nH+]c2cc(F)ccc21 ZINC000066256107 506461064 /nfs/dbraw/zinc/46/10/64/506461064.db2.gz HUPKBZJAGFWUNQ-UHFFFAOYSA-N 1 2 367.340 2.862 20 5 FFBDLO O=C(COc1ccccc1[N+](=O)[O-])NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000041789490 506550174 /nfs/dbraw/zinc/55/01/74/506550174.db2.gz IRNZZRRYHFYZRL-UHFFFAOYSA-N 1 2 360.757 2.591 20 5 FFBDLO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccc(F)c(F)c1 ZINC000044438933 506845787 /nfs/dbraw/zinc/84/57/87/506845787.db2.gz FPCKWDXILOZDMF-UHFFFAOYSA-N 1 2 361.348 2.894 20 5 FFBDLO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccc(F)c(F)c1 ZINC000044438933 506845793 /nfs/dbraw/zinc/84/57/93/506845793.db2.gz FPCKWDXILOZDMF-UHFFFAOYSA-N 1 2 361.348 2.894 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000045948315 507050640 /nfs/dbraw/zinc/05/06/40/507050640.db2.gz MDWQCFRUBONAIU-UHFFFAOYSA-N 1 2 371.397 2.789 20 5 FFBDLO C[C@@H](C(=O)N(C)c1ccccc1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000016564658 507096324 /nfs/dbraw/zinc/09/63/24/507096324.db2.gz DNDYQRORYDKFDP-INIZCTEOSA-N 1 2 368.437 2.768 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCc2cn3c(cccc3C)[nH+]2)cc1C ZINC000068944183 507366782 /nfs/dbraw/zinc/36/67/82/507366782.db2.gz MHWPOCRRZVUQIL-UHFFFAOYSA-N 1 2 374.422 2.646 20 5 FFBDLO C[C@@H](C(=O)NC1CCC(C)CC1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047742801 507387448 /nfs/dbraw/zinc/38/74/48/507387448.db2.gz GVBJNEZMMKJNCZ-CGZBRXJRSA-N 1 2 374.485 2.800 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1[nH+]cc2ccccn21 ZINC000024851138 507444013 /nfs/dbraw/zinc/44/40/13/507444013.db2.gz GPIGHYHOTFIBSV-UHFFFAOYSA-N 1 2 358.379 2.982 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+](Cc2ccccn2)C(C)C)c([N+](=O)[O-])c1 ZINC000048273703 507493760 /nfs/dbraw/zinc/49/37/60/507493760.db2.gz LJSWASFGNIHRAR-UHFFFAOYSA-N 1 2 358.398 2.848 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+](Cc2ccccn2)C(C)C)c([N+](=O)[O-])c1 ZINC000048273703 507493762 /nfs/dbraw/zinc/49/37/62/507493762.db2.gz LJSWASFGNIHRAR-UHFFFAOYSA-N 1 2 358.398 2.848 20 5 FFBDLO COC(=O)c1ccc([C@@H](C)[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)o1 ZINC000025916522 507542157 /nfs/dbraw/zinc/54/21/57/507542157.db2.gz ANAKGQRLBBJGEW-CYBMUJFWSA-N 1 2 359.382 2.858 20 5 FFBDLO O=[N+]([O-])c1ccc(CN2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000025928711 507545151 /nfs/dbraw/zinc/54/51/51/507545151.db2.gz QFPAYBMZYTYXEK-UHFFFAOYSA-N 1 2 369.421 2.684 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(Cc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000025928711 507545156 /nfs/dbraw/zinc/54/51/56/507545156.db2.gz QFPAYBMZYTYXEK-UHFFFAOYSA-N 1 2 369.421 2.684 20 5 FFBDLO C[N@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)Cc1ccccc1[N+](=O)[O-] ZINC000026348448 507580891 /nfs/dbraw/zinc/58/08/91/507580891.db2.gz ORSSOJKWDGMXQJ-UHFFFAOYSA-N 1 2 358.785 2.888 20 5 FFBDLO C[N@@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)Cc1ccccc1[N+](=O)[O-] ZINC000026348448 507580895 /nfs/dbraw/zinc/58/08/95/507580895.db2.gz ORSSOJKWDGMXQJ-UHFFFAOYSA-N 1 2 358.785 2.888 20 5 FFBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050580802 507695170 /nfs/dbraw/zinc/69/51/70/507695170.db2.gz TWNAKMHIUCJCSD-LLVKDONJSA-N 1 2 357.395 2.733 20 5 FFBDLO CCOc1ccc(C(=O)NCc2cn3cccc(C)c3[nH+]2)cc1[N+](=O)[O-] ZINC000071435485 507704193 /nfs/dbraw/zinc/70/41/93/507704193.db2.gz OYYLQHHCYDSWRD-UHFFFAOYSA-N 1 2 354.366 2.880 20 5 FFBDLO COc1cccc(N2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)c1 ZINC000051121868 507740168 /nfs/dbraw/zinc/74/01/68/507740168.db2.gz QHFISUWCRRMITD-UHFFFAOYSA-N 1 2 367.409 2.802 20 5 FFBDLO CNS(=O)(=O)c1ccc(Nc2ccc([NH+](C)C)c(C)c2)c([N+](=O)[O-])c1 ZINC000029627330 507784805 /nfs/dbraw/zinc/78/48/05/507784805.db2.gz WKQVRBMDARBDRV-UHFFFAOYSA-N 1 2 364.427 2.621 20 5 FFBDLO C[C@@H]1c2ccccc2CC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000106862611 507824294 /nfs/dbraw/zinc/82/42/94/507824294.db2.gz ALTKBNXBCOBLIR-GFCCVEGCSA-N 1 2 369.377 2.881 20 5 FFBDLO C[C@@H]1c2ccccc2CC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000106862611 507824296 /nfs/dbraw/zinc/82/42/96/507824296.db2.gz ALTKBNXBCOBLIR-GFCCVEGCSA-N 1 2 369.377 2.881 20 5 FFBDLO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000078189433 507845295 /nfs/dbraw/zinc/84/52/95/507845295.db2.gz FYLUGLKEANHFLE-AWEZNQCLSA-N 1 2 367.833 2.575 20 5 FFBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000089868784 507876637 /nfs/dbraw/zinc/87/66/37/507876637.db2.gz UQWTWKJYSQYEIK-UHFFFAOYSA-N 1 2 354.370 2.503 20 5 FFBDLO CCO[C@H](CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)C ZINC000080467182 508075639 /nfs/dbraw/zinc/07/56/39/508075639.db2.gz RYNVISODOALBDK-QGZVFWFLSA-N 1 2 360.414 2.962 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000080612242 508088951 /nfs/dbraw/zinc/08/89/51/508088951.db2.gz ITGQCZPHIIVCOX-UHFFFAOYSA-N 1 2 369.425 2.612 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1CN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000081019003 508126328 /nfs/dbraw/zinc/12/63/28/508126328.db2.gz PFLHTBWJZIKKOJ-UHFFFAOYSA-N 1 2 357.410 2.627 20 5 FFBDLO CC(C)[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1cccnc1 ZINC000093223942 508128976 /nfs/dbraw/zinc/12/89/76/508128976.db2.gz HAWOWHIDRCCKCH-UHFFFAOYSA-N 1 2 354.410 2.790 20 5 FFBDLO CC(C)[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1cccnc1 ZINC000093223942 508128978 /nfs/dbraw/zinc/12/89/78/508128978.db2.gz HAWOWHIDRCCKCH-UHFFFAOYSA-N 1 2 354.410 2.790 20 5 FFBDLO COC(=O)[C@](C)([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000081153497 508141800 /nfs/dbraw/zinc/14/18/00/508141800.db2.gz XGDKSMMBOOOMDH-GOSISDBHSA-N 1 2 359.382 2.724 20 5 FFBDLO CCOC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000081520876 508185606 /nfs/dbraw/zinc/18/56/06/508185606.db2.gz GZDSDLNEAUTHNI-NWDGAFQWSA-N 1 2 355.822 2.934 20 5 FFBDLO CCOC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000081520876 508185609 /nfs/dbraw/zinc/18/56/09/508185609.db2.gz GZDSDLNEAUTHNI-NWDGAFQWSA-N 1 2 355.822 2.934 20 5 FFBDLO CC(C)C[C@@H](CCO)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000081822893 508215307 /nfs/dbraw/zinc/21/53/07/508215307.db2.gz PEPMDKUGDWPMLH-CQSZACIVSA-N 1 2 360.414 2.555 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCSC(C)(C)C1 ZINC000083416039 508244971 /nfs/dbraw/zinc/24/49/71/508244971.db2.gz DXYGUMCHVWQPJO-NSHDSACASA-N 1 2 353.444 2.758 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCSC(C)(C)C1 ZINC000083416039 508244972 /nfs/dbraw/zinc/24/49/72/508244972.db2.gz DXYGUMCHVWQPJO-NSHDSACASA-N 1 2 353.444 2.758 20 5 FFBDLO Cc1c(Cl)cc(S(=O)(=O)N2CCc3c[nH+]ccc32)cc1[N+](=O)[O-] ZINC000084015200 508263083 /nfs/dbraw/zinc/26/30/83/508263083.db2.gz LLSPGGBHNLBGGD-UHFFFAOYSA-N 1 2 353.787 2.703 20 5 FFBDLO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3[nH]cc[nH+]3)cc2[N+](=O)[O-])C1 ZINC000114337797 508305431 /nfs/dbraw/zinc/30/54/31/508305431.db2.gz BBOJRWDXRCMOPS-CHWSQXEVSA-N 1 2 357.414 2.730 20 5 FFBDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000156650443 508456585 /nfs/dbraw/zinc/45/65/85/508456585.db2.gz JHJGNMNNQIXWOL-ZDUSSCGKSA-N 1 2 363.414 2.587 20 5 FFBDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000156650443 508456586 /nfs/dbraw/zinc/45/65/86/508456586.db2.gz JHJGNMNNQIXWOL-ZDUSSCGKSA-N 1 2 363.414 2.587 20 5 FFBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000134357034 508524163 /nfs/dbraw/zinc/52/41/63/508524163.db2.gz YUAGGSMGGSMOSN-CYBMUJFWSA-N 1 2 358.373 2.648 20 5 FFBDLO CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1C ZINC000153170974 508555336 /nfs/dbraw/zinc/55/53/36/508555336.db2.gz ORYJAGWMWFMZDL-UHFFFAOYSA-N 1 2 355.394 2.983 20 5 FFBDLO CC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1C ZINC000153170974 508555338 /nfs/dbraw/zinc/55/53/38/508555338.db2.gz ORYJAGWMWFMZDL-UHFFFAOYSA-N 1 2 355.394 2.983 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC(O)(C(F)(F)F)CC3)n2)cc1 ZINC000128213136 508563938 /nfs/dbraw/zinc/56/39/38/508563938.db2.gz SLIHXPQMVBNFMW-UHFFFAOYSA-N 1 2 372.303 2.534 20 5 FFBDLO Cc1cccc(C)c1NC(=O)C[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153730235 508637134 /nfs/dbraw/zinc/63/71/34/508637134.db2.gz MOYPIKFSVHHEIW-QGZVFWFLSA-N 1 2 357.410 2.816 20 5 FFBDLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153730235 508637139 /nfs/dbraw/zinc/63/71/39/508637139.db2.gz MOYPIKFSVHHEIW-QGZVFWFLSA-N 1 2 357.410 2.816 20 5 FFBDLO COc1ccc(NC(=O)C[NH2+]C(C)(C)c2nccs2)c([N+](=O)[O-])c1 ZINC000118847624 508684260 /nfs/dbraw/zinc/68/42/60/508684260.db2.gz VNQUEPVUAOFRPX-UHFFFAOYSA-N 1 2 350.400 2.523 20 5 FFBDLO COc1cc(C(=O)N2CC[NH+](Cc3cccs3)CC2)ccc1[N+](=O)[O-] ZINC000159126005 508795711 /nfs/dbraw/zinc/79/57/11/508795711.db2.gz VKLNCEYJUDHPQH-UHFFFAOYSA-N 1 2 361.423 2.623 20 5 FFBDLO COCC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccc(C)o1 ZINC000125300281 508962531 /nfs/dbraw/zinc/96/25/31/508962531.db2.gz AAKZESNFQNPKLV-UHFFFAOYSA-N 1 2 361.398 2.892 20 5 FFBDLO COCC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccc(C)o1 ZINC000125300281 508962535 /nfs/dbraw/zinc/96/25/35/508962535.db2.gz AAKZESNFQNPKLV-UHFFFAOYSA-N 1 2 361.398 2.892 20 5 FFBDLO Cc1cnc2c(c1)N(C(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)CCO2 ZINC000126575936 509097285 /nfs/dbraw/zinc/09/72/85/509097285.db2.gz HOJQYINPNUDBGG-UHFFFAOYSA-N 1 2 365.349 2.523 20 5 FFBDLO CCNc1ccc(C(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000411016971 512438334 /nfs/dbraw/zinc/43/83/34/512438334.db2.gz INELHCQHIXUBRB-OAHLLOKOSA-N 1 2 357.414 2.983 20 5 FFBDLO CC(C)S(=O)(=O)CCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000121578862 509178916 /nfs/dbraw/zinc/17/89/16/509178916.db2.gz NODINGLLOZFFPA-UHFFFAOYSA-N 1 2 370.471 2.651 20 5 FFBDLO C[N@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000172715798 509192779 /nfs/dbraw/zinc/19/27/79/509192779.db2.gz QTJQPOXLZPAGDA-UHFFFAOYSA-N 1 2 372.212 2.669 20 5 FFBDLO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000172715798 509192786 /nfs/dbraw/zinc/19/27/86/509192786.db2.gz QTJQPOXLZPAGDA-UHFFFAOYSA-N 1 2 372.212 2.669 20 5 FFBDLO COCc1cc([N+](=O)[O-])ccc1N1CCC[N@H+](Cc2cscn2)CC1 ZINC000266945353 509270290 /nfs/dbraw/zinc/27/02/90/509270290.db2.gz CJDGAVOUVUJORM-UHFFFAOYSA-N 1 2 362.455 2.910 20 5 FFBDLO COCc1cc([N+](=O)[O-])ccc1N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000266945353 509270295 /nfs/dbraw/zinc/27/02/95/509270295.db2.gz CJDGAVOUVUJORM-UHFFFAOYSA-N 1 2 362.455 2.910 20 5 FFBDLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000267014002 509308126 /nfs/dbraw/zinc/30/81/26/509308126.db2.gz NORWFALLCPVNRQ-LLVKDONJSA-N 1 2 367.402 2.574 20 5 FFBDLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000267014002 509308132 /nfs/dbraw/zinc/30/81/32/509308132.db2.gz NORWFALLCPVNRQ-LLVKDONJSA-N 1 2 367.402 2.574 20 5 FFBDLO COc1cccc2c1CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000182664129 509356823 /nfs/dbraw/zinc/35/68/23/509356823.db2.gz ZJJMKAVGDXMTJU-UHFFFAOYSA-N 1 2 355.394 2.625 20 5 FFBDLO COc1cccc2c1CC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000182664129 509356826 /nfs/dbraw/zinc/35/68/26/509356826.db2.gz ZJJMKAVGDXMTJU-UHFFFAOYSA-N 1 2 355.394 2.625 20 5 FFBDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176203835 509376658 /nfs/dbraw/zinc/37/66/58/509376658.db2.gz ZCNPFXFQQSQICC-AWEZNQCLSA-N 1 2 363.849 2.824 20 5 FFBDLO C[S@](=O)c1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000173092515 509386925 /nfs/dbraw/zinc/38/69/25/509386925.db2.gz JZIYULNKIYFZDH-SANMLTNESA-N 1 2 370.390 2.770 20 5 FFBDLO COc1cc(C[N@H+]2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)c([N+](=O)[O-])cc1F ZINC000248608402 509387322 /nfs/dbraw/zinc/38/73/22/509387322.db2.gz DUJJREXFMPCUNO-VBNZEHGJSA-N 1 2 354.378 2.511 20 5 FFBDLO COc1cc(C[N@@H+]2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)c([N+](=O)[O-])cc1F ZINC000248608402 509387332 /nfs/dbraw/zinc/38/73/32/509387332.db2.gz DUJJREXFMPCUNO-VBNZEHGJSA-N 1 2 354.378 2.511 20 5 FFBDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176269730 509413027 /nfs/dbraw/zinc/41/30/27/509413027.db2.gz FWNMXAJIUMKHBL-CQSZACIVSA-N 1 2 363.849 2.824 20 5 FFBDLO CC(C)Cn1ncnc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000182816193 509439876 /nfs/dbraw/zinc/43/98/76/509439876.db2.gz GJXHSTWYPIDJGA-UHFFFAOYSA-N 1 2 359.430 2.886 20 5 FFBDLO COc1cccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c1OC ZINC000179590141 509526806 /nfs/dbraw/zinc/52/68/06/509526806.db2.gz ZCSDKDIIMYIBLU-UHFFFAOYSA-N 1 2 357.410 2.934 20 5 FFBDLO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000192514686 509544301 /nfs/dbraw/zinc/54/43/01/509544301.db2.gz GZTGXEYZTHDTHR-QGZVFWFLSA-N 1 2 373.457 2.913 20 5 FFBDLO C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000189490482 509601277 /nfs/dbraw/zinc/60/12/77/509601277.db2.gz MCZMPRNQTYEFOR-DOMZBBRYSA-N 1 2 350.806 2.907 20 5 FFBDLO C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000189490482 509601286 /nfs/dbraw/zinc/60/12/86/509601286.db2.gz MCZMPRNQTYEFOR-DOMZBBRYSA-N 1 2 350.806 2.907 20 5 FFBDLO COc1cc(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc([N+](=O)[O-])c1C ZINC000189494087 509602440 /nfs/dbraw/zinc/60/24/40/509602440.db2.gz BOACQNBUDPTBMV-CQSZACIVSA-N 1 2 372.425 2.740 20 5 FFBDLO Cc1c(NC(=O)CC[N@@H+](C)Cc2ncc(Cl)n2C)cccc1[N+](=O)[O-] ZINC000179868384 509654553 /nfs/dbraw/zinc/65/45/53/509654553.db2.gz KJQKEGYJLDDLJJ-UHFFFAOYSA-N 1 2 365.821 2.751 20 5 FFBDLO Cc1c(NC(=O)CC[N@H+](C)Cc2ncc(Cl)n2C)cccc1[N+](=O)[O-] ZINC000179868384 509654558 /nfs/dbraw/zinc/65/45/58/509654558.db2.gz KJQKEGYJLDDLJJ-UHFFFAOYSA-N 1 2 365.821 2.751 20 5 FFBDLO Cc1[nH+]c2ccccc2n1CC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000179963903 509691191 /nfs/dbraw/zinc/69/11/91/509691191.db2.gz HKWKYBNRAABFSV-UHFFFAOYSA-N 1 2 350.338 2.768 20 5 FFBDLO COc1cc(NCc2ccc[nH+]c2N2CCOCC2)c([N+](=O)[O-])cc1F ZINC000268159045 509787275 /nfs/dbraw/zinc/78/72/75/509787275.db2.gz HRFBKLZEIMESSC-UHFFFAOYSA-N 1 2 362.361 2.586 20 5 FFBDLO Cc1cc(C)c(NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000193182147 509809940 /nfs/dbraw/zinc/80/99/40/509809940.db2.gz KCNGXHACIDHQFA-UHFFFAOYSA-N 1 2 363.395 2.571 20 5 FFBDLO COc1cc(C[NH2+]Cc2nnc(C(C)(C)C)s2)c([N+](=O)[O-])cc1O ZINC000268229559 509826355 /nfs/dbraw/zinc/82/63/55/509826355.db2.gz UAWHBMRHOKMQMO-UHFFFAOYSA-N 1 2 352.416 2.748 20 5 FFBDLO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000252187880 509833832 /nfs/dbraw/zinc/83/38/32/509833832.db2.gz RDQHCDDPQVHQMO-IXDOHACOSA-N 1 2 374.485 2.800 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)c1 ZINC000265341495 510001741 /nfs/dbraw/zinc/00/17/41/510001741.db2.gz VEHSMYNVTFQUAE-CQSZACIVSA-N 1 2 370.409 2.517 20 5 FFBDLO COc1cc(C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000184309832 510253614 /nfs/dbraw/zinc/25/36/14/510253614.db2.gz YWPFEMOTBVNEAN-SGANQWHYSA-N 1 2 366.414 2.952 20 5 FFBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCc3[nH]c4ccccc4c3C2)c1 ZINC000171615640 510254417 /nfs/dbraw/zinc/25/44/17/510254417.db2.gz VZRYLHORMYMYSD-OAHLLOKOSA-N 1 2 367.405 2.874 20 5 FFBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCc3[nH]c4ccccc4c3C2)c1 ZINC000171615640 510254420 /nfs/dbraw/zinc/25/44/20/510254420.db2.gz VZRYLHORMYMYSD-OAHLLOKOSA-N 1 2 367.405 2.874 20 5 FFBDLO CC(C)c1[nH]nc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1[N+](=O)[O-] ZINC000269340098 510348860 /nfs/dbraw/zinc/34/88/60/510348860.db2.gz OUMUUHUJKWORBL-UHFFFAOYSA-N 1 2 373.413 2.526 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)c1 ZINC000266063341 510388474 /nfs/dbraw/zinc/38/84/74/510388474.db2.gz QSGAUJBITJATFO-UHFFFAOYSA-N 1 2 356.304 2.934 20 5 FFBDLO COC[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(C)o1 ZINC000184741953 510493646 /nfs/dbraw/zinc/49/36/46/510493646.db2.gz JMJDEPLRVOMGQF-HZPDHXFCSA-N 1 2 359.382 2.579 20 5 FFBDLO CCc1ccc(C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)cc1[N+](=O)[O-] ZINC000175336710 510596414 /nfs/dbraw/zinc/59/64/14/510596414.db2.gz BYPDWQPHISXWBV-UHFFFAOYSA-N 1 2 369.421 2.821 20 5 FFBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000184967145 510608288 /nfs/dbraw/zinc/60/82/88/510608288.db2.gz HXWPOZUBRFVREY-SDNWHVSQSA-N 1 2 363.377 2.895 20 5 FFBDLO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000185083275 510674323 /nfs/dbraw/zinc/67/43/23/510674323.db2.gz CKZNUIFIZHFQIM-ZDUSSCGKSA-N 1 2 355.441 2.566 20 5 FFBDLO C[C@@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)no1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000185161426 510720017 /nfs/dbraw/zinc/72/00/17/510720017.db2.gz 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COc1ccc(OCC[N@H+]2CCCC[C@@H]2c2nc(C)no2)c([N+](=O)[O-])c1 ZINC000285574402 510962508 /nfs/dbraw/zinc/96/25/08/510962508.db2.gz IEFYTXYOMIFNHX-CQSZACIVSA-N 1 2 362.386 2.901 20 5 FFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000285603570 510974612 /nfs/dbraw/zinc/97/46/12/510974612.db2.gz PSNNNOFYMNPMNN-CYBMUJFWSA-N 1 2 363.292 2.782 20 5 FFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000285603570 510974615 /nfs/dbraw/zinc/97/46/15/510974615.db2.gz PSNNNOFYMNPMNN-CYBMUJFWSA-N 1 2 363.292 2.782 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1N1CCC[N@H+](Cc3cscn3)CC1)CCN2 ZINC000278354526 510991539 /nfs/dbraw/zinc/99/15/39/510991539.db2.gz JWPTXTVTOGLTOE-UHFFFAOYSA-N 1 2 359.455 2.732 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1N1CCC[N@@H+](Cc3cscn3)CC1)CCN2 ZINC000278354526 510991546 /nfs/dbraw/zinc/99/15/46/510991546.db2.gz JWPTXTVTOGLTOE-UHFFFAOYSA-N 1 2 359.455 2.732 20 5 FFBDLO 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C[NH+](C)CCOc1ccc(-c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)cc1 ZINC000350635764 511855992 /nfs/dbraw/zinc/85/59/92/511855992.db2.gz IHHVJEIQMVCEHU-UHFFFAOYSA-N 1 2 370.365 2.958 20 5 FFBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH+]2CCN(c3cccnn3)CC2)c1 ZINC000293173339 511868178 /nfs/dbraw/zinc/86/81/78/511868178.db2.gz SDSLGRSXVGAJIM-UHFFFAOYSA-N 1 2 367.331 2.726 20 5 FFBDLO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@]2(CCCOC2)O1 ZINC000366484456 512048460 /nfs/dbraw/zinc/04/84/60/512048460.db2.gz JDSNXHZXPBWAAI-SJCJKPOMSA-N 1 2 372.368 2.966 20 5 FFBDLO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@]2(CCCOC2)O1 ZINC000366484456 512048463 /nfs/dbraw/zinc/04/84/63/512048463.db2.gz JDSNXHZXPBWAAI-SJCJKPOMSA-N 1 2 372.368 2.966 20 5 FFBDLO Cc1ccc(NC(=O)N[C@H]2CCO[C@H](c3c[nH+]cn3C)C2)cc1[N+](=O)[O-] ZINC000275283953 512096345 /nfs/dbraw/zinc/09/63/45/512096345.db2.gz LDOKILJVSBJCEJ-BBRMVZONSA-N 1 2 359.386 2.679 20 5 FFBDLO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000371606802 512490388 /nfs/dbraw/zinc/49/03/88/512490388.db2.gz LSHKXNMPJVSRPY-MRXNPFEDSA-N 1 2 355.394 2.647 20 5 FFBDLO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000371606802 512490394 /nfs/dbraw/zinc/49/03/94/512490394.db2.gz LSHKXNMPJVSRPY-MRXNPFEDSA-N 1 2 355.394 2.647 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000373974994 512601031 /nfs/dbraw/zinc/60/10/31/512601031.db2.gz SYXGJNWTHHAYSG-GLJUWKHASA-N 1 2 350.415 2.762 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000373974994 512601036 /nfs/dbraw/zinc/60/10/36/512601036.db2.gz SYXGJNWTHHAYSG-GLJUWKHASA-N 1 2 350.415 2.762 20 5 FFBDLO COc1ccc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000374028124 512629890 /nfs/dbraw/zinc/62/98/90/512629890.db2.gz PCYJVOJKLCTRRN-DEYYWGMASA-N 1 2 350.415 2.762 20 5 FFBDLO COc1ccc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000374028124 512629896 /nfs/dbraw/zinc/62/98/96/512629896.db2.gz PCYJVOJKLCTRRN-DEYYWGMASA-N 1 2 350.415 2.762 20 5 FFBDLO O=C(NCc1cccnc1-n1cc[nH+]c1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000368059175 512784844 /nfs/dbraw/zinc/78/48/44/512784844.db2.gz JQGMAHSCRRTFMQ-UHFFFAOYSA-N 1 2 373.319 2.584 20 5 FFBDLO O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000376535911 512861801 /nfs/dbraw/zinc/86/18/01/512861801.db2.gz QXSIXGLYUNTHAU-HOTGVXAUSA-N 1 2 367.833 2.621 20 5 FFBDLO O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000376535912 512862244 /nfs/dbraw/zinc/86/22/44/512862244.db2.gz QXSIXGLYUNTHAU-HZPDHXFCSA-N 1 2 367.833 2.621 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411938963 512880981 /nfs/dbraw/zinc/88/09/81/512880981.db2.gz KEDIMRWYIVQSDE-FUHWJXTLSA-N 1 2 355.394 2.650 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411938963 512880985 /nfs/dbraw/zinc/88/09/85/512880985.db2.gz KEDIMRWYIVQSDE-FUHWJXTLSA-N 1 2 355.394 2.650 20 5 FFBDLO COc1cc(NCC[NH+]2CCN(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000390863885 512913202 /nfs/dbraw/zinc/91/32/02/512913202.db2.gz GJGKFDWZYDIWPK-UHFFFAOYSA-N 1 2 370.453 2.833 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370588339 513006200 /nfs/dbraw/zinc/00/62/00/513006200.db2.gz KHFQAYTYJOHLLS-CYBMUJFWSA-N 1 2 355.398 2.542 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@@H]1C1CCOCC1 ZINC000450436742 513195679 /nfs/dbraw/zinc/19/56/79/513195679.db2.gz IDAAQPSSCRTICM-MRXNPFEDSA-N 1 2 370.409 2.812 20 5 FFBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000428958232 513232592 /nfs/dbraw/zinc/23/25/92/513232592.db2.gz UXDUNKXLEUDXQB-UHFFFAOYSA-N 1 2 357.414 2.512 20 5 FFBDLO CCOc1cc(N2CC[NH+]([C@@H](C)c3cnc(C)cn3)CC2)ccc1[N+](=O)[O-] ZINC000428958468 513232608 /nfs/dbraw/zinc/23/26/08/513232608.db2.gz USTGFDBMWPPATI-HNNXBMFYSA-N 1 2 371.441 2.975 20 5 FFBDLO Cc1cc(Cl)ccc1C[NH+]1CCN(c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000450530717 513238475 /nfs/dbraw/zinc/23/84/75/513238475.db2.gz QELIDGYOQKBXMA-UHFFFAOYSA-N 1 2 361.833 2.977 20 5 FFBDLO CC[C@H]1C[NH+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C[C@H](CC)O1 ZINC000421385868 513243971 /nfs/dbraw/zinc/24/39/71/513243971.db2.gz GUNMKAYYHCGRGR-GJZGRUSLSA-N 1 2 366.414 2.536 20 5 FFBDLO CC[C@H]1C[N@H+](CC)CCN1c1ncc([N+](=O)[O-])c(C)c1Br ZINC000450829766 513359521 /nfs/dbraw/zinc/35/95/21/513359521.db2.gz NCSWXQCQTQPFQH-NSHDSACASA-N 1 2 357.252 2.981 20 5 FFBDLO CC[C@H]1C[N@@H+](CC)CCN1c1ncc([N+](=O)[O-])c(C)c1Br ZINC000450829766 513359524 /nfs/dbraw/zinc/35/95/24/513359524.db2.gz NCSWXQCQTQPFQH-NSHDSACASA-N 1 2 357.252 2.981 20 5 FFBDLO Cc1cc(N2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)nc(C(C)C)[nH+]1 ZINC000413039812 513400387 /nfs/dbraw/zinc/40/03/87/513400387.db2.gz VRFVVFZXRVOCOL-UHFFFAOYSA-N 1 2 360.393 2.677 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000434712494 513403827 /nfs/dbraw/zinc/40/38/27/513403827.db2.gz CIBWNLAIVRESOV-IYBDPMFKSA-N 1 2 365.474 2.923 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000434712494 513403836 /nfs/dbraw/zinc/40/38/36/513403836.db2.gz CIBWNLAIVRESOV-IYBDPMFKSA-N 1 2 365.474 2.923 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000421778467 513422852 /nfs/dbraw/zinc/42/28/52/513422852.db2.gz GOFMRYSGGXLSDH-UHFFFAOYSA-N 1 2 369.421 2.875 20 5 FFBDLO CC1(C)C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]2CCC[C@H]2O1 ZINC000440965296 513448053 /nfs/dbraw/zinc/44/80/53/513448053.db2.gz ZFZFQUMICQWNRK-NVXWUHKLSA-N 1 2 359.426 2.516 20 5 FFBDLO CC1(C)C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]2CCC[C@H]2O1 ZINC000440965296 513448057 /nfs/dbraw/zinc/44/80/57/513448057.db2.gz ZFZFQUMICQWNRK-NVXWUHKLSA-N 1 2 359.426 2.516 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC([C@H]2CCCO2)CC1 ZINC000451020258 513460066 /nfs/dbraw/zinc/46/00/66/513460066.db2.gz ZDYNAKYXSYFRFN-GOSISDBHSA-N 1 2 370.409 2.812 20 5 FFBDLO COCCC(=O)N1CCC(Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413194274 513511997 /nfs/dbraw/zinc/51/19/97/513511997.db2.gz LLMDCHUIMXFCSH-UHFFFAOYSA-N 1 2 358.398 2.582 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451284971 513652088 /nfs/dbraw/zinc/65/20/88/513652088.db2.gz QFUJUJVVTANRRG-PKOBYXMFSA-N 1 2 360.385 2.903 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451284971 513652091 /nfs/dbraw/zinc/65/20/91/513652091.db2.gz QFUJUJVVTANRRG-PKOBYXMFSA-N 1 2 360.385 2.903 20 5 FFBDLO Cc1cc(S(=O)(=O)NCc2[nH+]ccn2CC(C)C)c(C)cc1[N+](=O)[O-] ZINC000416457589 513781585 /nfs/dbraw/zinc/78/15/85/513781585.db2.gz XUJNHRLBEVKCAS-UHFFFAOYSA-N 1 2 366.443 2.543 20 5 FFBDLO C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546027 513822618 /nfs/dbraw/zinc/82/26/18/513822618.db2.gz IPJWCTNIMQPNFI-DGCLKSJQSA-N 1 2 359.348 2.841 20 5 FFBDLO C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546027 513822626 /nfs/dbraw/zinc/82/26/26/513822626.db2.gz IPJWCTNIMQPNFI-DGCLKSJQSA-N 1 2 359.348 2.841 20 5 FFBDLO C[N@H+](Cc1nc(CCNc2ccccc2[N+](=O)[O-])no1)[C@H]1CCSC1 ZINC000443210385 513902548 /nfs/dbraw/zinc/90/25/48/513902548.db2.gz VPPNDGKDGJHUML-LBPRGKRZSA-N 1 2 363.443 2.570 20 5 FFBDLO C[N@@H+](Cc1nc(CCNc2ccccc2[N+](=O)[O-])no1)[C@H]1CCSC1 ZINC000443210385 513902552 /nfs/dbraw/zinc/90/25/52/513902552.db2.gz VPPNDGKDGJHUML-LBPRGKRZSA-N 1 2 363.443 2.570 20 5 FFBDLO C[C@@]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)(C(N)=O)c1cccc(Cl)c1 ZINC000426831598 514054045 /nfs/dbraw/zinc/05/40/45/514054045.db2.gz FNHFTDGQOOCOKT-INIZCTEOSA-N 1 2 351.765 2.878 20 5 FFBDLO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000451948149 514087679 /nfs/dbraw/zinc/08/76/79/514087679.db2.gz SUMRRSHIFVDMSU-UFBFGSQYSA-N 1 2 370.818 2.737 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CCN(c2cc[nH+]c3ccncc32)CC1 ZINC000444111983 514126578 /nfs/dbraw/zinc/12/65/78/514126578.db2.gz AJQDYBCMYDYRQM-UHFFFAOYSA-N 1 2 369.406 2.562 20 5 FFBDLO Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)ccc1C[NH+](C)C ZINC000414465240 514133946 /nfs/dbraw/zinc/13/39/46/514133946.db2.gz QGLOWAKQJOLSJE-UHFFFAOYSA-N 1 2 355.441 2.827 20 5 FFBDLO CN([C@@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000432260399 514141149 /nfs/dbraw/zinc/14/11/49/514141149.db2.gz ULLPXGZPJWYUPH-MRXNPFEDSA-N 1 2 372.406 2.728 20 5 FFBDLO O=[N+]([O-])c1cccc2c(NCc3ccc[nH+]c3N3CCOCC3)ccnc21 ZINC000432309609 514154989 /nfs/dbraw/zinc/15/49/89/514154989.db2.gz BPBIUALHCYNXQP-UHFFFAOYSA-N 1 2 365.393 2.987 20 5 FFBDLO O=[N+]([O-])c1cccc2c(N3CC[NH+](Cc4cscn4)CC3)ccnc21 ZINC000432318861 514157990 /nfs/dbraw/zinc/15/79/90/514157990.db2.gz VISSGRFIFQDLPD-UHFFFAOYSA-N 1 2 355.423 2.922 20 5 FFBDLO NC(=O)c1cccc([N+](=O)[O-])c1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000420615095 514201627 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GSRFRUTUKRCNGW-UHFFFAOYSA-N 1 2 370.409 2.813 20 5 FFBDLO Cc1nc([C@](C)([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C2CC2)no1 ZINC000433322841 514458907 /nfs/dbraw/zinc/45/89/07/514458907.db2.gz ZDIAXXWZTSNMGN-GOSISDBHSA-N 1 2 373.413 2.838 20 5 FFBDLO O=C(NC1(C(F)(F)F)CCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450033741 514473807 /nfs/dbraw/zinc/47/38/07/514473807.db2.gz IDVPMDSINLDGLO-UHFFFAOYSA-N 1 2 354.288 2.995 20 5 FFBDLO O=C(N[C@@H]1CCOC2(CCC2)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450160574 514515025 /nfs/dbraw/zinc/51/50/25/514515025.db2.gz VWNGMATYFPNGNU-CQSZACIVSA-N 1 2 356.382 2.612 20 5 FFBDLO O=C(NCCC[C@H]1CCCC[C@@H]1O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450174348 514522152 /nfs/dbraw/zinc/52/21/52/514522152.db2.gz SSFNXPKOXYHEIB-KDOFPFPSSA-N 1 2 372.425 2.842 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000439377774 514541220 /nfs/dbraw/zinc/54/12/20/514541220.db2.gz MUZWIAAYJTTWMJ-UHFFFAOYSA-N 1 2 371.397 2.661 20 5 FFBDLO 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ZINC000502906714 514837733 /nfs/dbraw/zinc/83/77/33/514837733.db2.gz IQFPOZGOUYDPSD-UHFFFAOYSA-N 1 2 369.396 2.990 20 5 FFBDLO Cc1cc(F)cc2c1C[N@@H+](CC(=O)N1CCc3cc([N+](=O)[O-])ccc31)CC2 ZINC000502906714 514837742 /nfs/dbraw/zinc/83/77/42/514837742.db2.gz IQFPOZGOUYDPSD-UHFFFAOYSA-N 1 2 369.396 2.990 20 5 FFBDLO CC(C)(C)Oc1cc(N2CCN(Cc3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000485024605 514880109 /nfs/dbraw/zinc/88/01/09/514880109.db2.gz MYJAWMPISKQASV-UHFFFAOYSA-N 1 2 359.430 2.817 20 5 FFBDLO C[N@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000471699304 514985295 /nfs/dbraw/zinc/98/52/95/514985295.db2.gz WPXMZUKKZPHIEB-UHFFFAOYSA-N 1 2 372.212 2.669 20 5 FFBDLO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000471699304 514985302 /nfs/dbraw/zinc/98/53/02/514985302.db2.gz WPXMZUKKZPHIEB-UHFFFAOYSA-N 1 2 372.212 2.669 20 5 FFBDLO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000456171893 514998967 /nfs/dbraw/zinc/99/89/67/514998967.db2.gz CXAFPMSTYHZTCU-GFCCVEGCSA-N 1 2 352.460 2.791 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000489871096 515007875 /nfs/dbraw/zinc/00/78/75/515007875.db2.gz LUDALFYTLUFAJY-SNVBAGLBSA-N 1 2 368.315 2.977 20 5 FFBDLO CCN1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000480691405 515045318 /nfs/dbraw/zinc/04/53/18/515045318.db2.gz COQDIRFBXBEONA-CYBMUJFWSA-N 1 2 367.356 2.803 20 5 FFBDLO Cn1cc[nH+]c1CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000485510192 515066067 /nfs/dbraw/zinc/06/60/67/515066067.db2.gz NHTMKNAHBPPJMO-UHFFFAOYSA-N 1 2 365.393 2.870 20 5 FFBDLO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000499076832 515190375 /nfs/dbraw/zinc/19/03/75/515190375.db2.gz AOJUYUJKONNBLD-UHFFFAOYSA-N 1 2 366.381 2.523 20 5 FFBDLO COC(=O)COc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000481127749 515215373 /nfs/dbraw/zinc/21/53/73/515215373.db2.gz RENVTPVGVXBHGL-UHFFFAOYSA-N 1 2 362.357 2.918 20 5 FFBDLO COC(=O)COc1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000481127749 515215379 /nfs/dbraw/zinc/21/53/79/515215379.db2.gz RENVTPVGVXBHGL-UHFFFAOYSA-N 1 2 362.357 2.918 20 5 FFBDLO CO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C12CCC2 ZINC000456614609 515287932 /nfs/dbraw/zinc/28/79/32/515287932.db2.gz GMMCFHQCNRDOAQ-IAGOWNOFSA-N 1 2 370.409 2.810 20 5 FFBDLO O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000504715794 515361530 /nfs/dbraw/zinc/36/15/30/515361530.db2.gz ILTPXSLCRDNAGU-UHFFFAOYSA-N 1 2 374.744 2.666 20 5 FFBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000477293631 515401417 /nfs/dbraw/zinc/40/14/17/515401417.db2.gz DVGXOAQDUMJZBC-UHFFFAOYSA-N 1 2 374.828 2.910 20 5 FFBDLO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000505477926 515547928 /nfs/dbraw/zinc/54/79/28/515547928.db2.gz YBURAKRNLUNXKN-INIZCTEOSA-N 1 2 373.384 2.676 20 5 FFBDLO CCOc1cc(C[NH+]2CCN(Cc3cscn3)CC2)ccc1[N+](=O)[O-] ZINC000492743739 515558983 /nfs/dbraw/zinc/55/89/83/515558983.db2.gz GPQHITVXAOUHMY-UHFFFAOYSA-N 1 2 362.455 2.768 20 5 FFBDLO Cc1ccc2c(c1)CC[N@H+]([C@H]1CC(=O)N(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000478236058 515749239 /nfs/dbraw/zinc/74/92/39/515749239.db2.gz QENSXXXBLUFAGC-SFHVURJKSA-N 1 2 365.389 2.593 20 5 FFBDLO Cc1ccc2c(c1)CC[N@@H+]([C@H]1CC(=O)N(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000478236058 515749243 /nfs/dbraw/zinc/74/92/43/515749243.db2.gz QENSXXXBLUFAGC-SFHVURJKSA-N 1 2 365.389 2.593 20 5 FFBDLO Cc1cc(NCc2noc(C3CC3)n2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000487149026 515778045 /nfs/dbraw/zinc/77/80/45/515778045.db2.gz LTSARGPQMOVRFE-UHFFFAOYSA-N 1 2 352.354 2.655 20 5 FFBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454845590 515785668 /nfs/dbraw/zinc/78/56/68/515785668.db2.gz YGQXDBKTSZOQOZ-HZPDHXFCSA-N 1 2 369.425 2.695 20 5 FFBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1nc2c(s1)CCC2 ZINC000511125247 515794027 /nfs/dbraw/zinc/79/40/27/515794027.db2.gz VCFPIJRZCIANMU-UHFFFAOYSA-N 1 2 360.439 2.653 20 5 FFBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1nc2c(s1)CCC2 ZINC000511125247 515794039 /nfs/dbraw/zinc/79/40/39/515794039.db2.gz VCFPIJRZCIANMU-UHFFFAOYSA-N 1 2 360.439 2.653 20 5 FFBDLO Cc1cc[nH+]cc1N1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000500649353 515803038 /nfs/dbraw/zinc/80/30/38/515803038.db2.gz FAFXOMZUVVWMAK-UHFFFAOYSA-N 1 2 365.393 2.742 20 5 FFBDLO Cc1cc[nH+]cc1N1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000500690607 515818548 /nfs/dbraw/zinc/81/85/48/515818548.db2.gz VPZSLZWBJCUWAS-UHFFFAOYSA-N 1 2 365.393 2.742 20 5 FFBDLO CCN(CC)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2OC)c[nH+]1 ZINC000494673002 515918630 /nfs/dbraw/zinc/91/86/30/515918630.db2.gz OMLVWLPQWSAKLK-UHFFFAOYSA-N 1 2 358.398 2.775 20 5 FFBDLO Cc1nc2sccn2c1C[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000474274421 515967679 /nfs/dbraw/zinc/96/76/79/515967679.db2.gz GDSOTBFCSOIYPW-UHFFFAOYSA-N 1 2 373.438 2.991 20 5 FFBDLO Cc1nc2sccn2c1C[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000474274421 515967687 /nfs/dbraw/zinc/96/76/87/515967687.db2.gz GDSOTBFCSOIYPW-UHFFFAOYSA-N 1 2 373.438 2.991 20 5 FFBDLO CCc1cc(N2CC[C@@H](C(=O)OC)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000506991425 516046338 /nfs/dbraw/zinc/04/63/38/516046338.db2.gz DKXGWJQCNHYRGQ-CYBMUJFWSA-N 1 2 356.382 2.614 20 5 FFBDLO Cc1cc(OCC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000469997700 516067338 /nfs/dbraw/zinc/06/73/38/516067338.db2.gz CBVHOVNBRMAHSW-UHFFFAOYSA-N 1 2 374.784 2.900 20 5 FFBDLO Cc1cccc(C)c1OC[C@H](O)C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000470030646 516086596 /nfs/dbraw/zinc/08/65/96/516086596.db2.gz IJTBOMFLSQKZMZ-QGZVFWFLSA-N 1 2 372.421 2.715 20 5 FFBDLO CC(C)(C)OC(=O)CCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000465276459 516113939 /nfs/dbraw/zinc/11/39/39/516113939.db2.gz GZSOTSMUJBUVBU-UHFFFAOYSA-N 1 2 374.397 2.632 20 5 FFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(c2nc(C)ns2)CC1 ZINC000470169600 516157593 /nfs/dbraw/zinc/15/75/93/516157593.db2.gz GRHYTAZKDBLZGY-JLHYYAGUSA-N 1 2 359.455 2.980 20 5 FFBDLO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1C ZINC000495460971 516170831 /nfs/dbraw/zinc/17/08/31/516170831.db2.gz OQOIOBKDHUXHBY-SFHVURJKSA-N 1 2 371.437 2.713 20 5 FFBDLO Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1C ZINC000495460971 516170844 /nfs/dbraw/zinc/17/08/44/516170844.db2.gz OQOIOBKDHUXHBY-SFHVURJKSA-N 1 2 371.437 2.713 20 5 FFBDLO COc1c(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cccc1[N+](=O)[O-] ZINC000474911313 516233683 /nfs/dbraw/zinc/23/36/83/516233683.db2.gz JBFUGOYQZNXQAH-UHFFFAOYSA-N 1 2 370.409 2.919 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000512439113 516279756 /nfs/dbraw/zinc/27/97/56/516279756.db2.gz NTIMEZYYMDBPQC-MAUKXSAKSA-N 1 2 363.458 2.677 20 5 FFBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000523435182 516470640 /nfs/dbraw/zinc/47/06/40/516470640.db2.gz NICGJZYOEAWHAW-UHFFFAOYSA-N 1 2 371.319 2.695 20 5 FFBDLO CCc1[nH+]c2ccccc2n1CC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000513177975 516504280 /nfs/dbraw/zinc/50/42/80/516504280.db2.gz ZBWAPUXXHULCSA-UHFFFAOYSA-N 1 2 368.393 2.832 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@@H](CO)c3ccc(F)cc3)n2)cc1 ZINC000554636628 516559024 /nfs/dbraw/zinc/55/90/24/516559024.db2.gz VZKIEZWZYDZZLX-HNNXBMFYSA-N 1 2 358.329 2.607 20 5 FFBDLO C[C@@H](c1cccc(NC(=O)c2ccc([N+](=O)[O-])cn2)c1)[NH+]1CCOCC1 ZINC000531628730 516562889 /nfs/dbraw/zinc/56/28/89/516562889.db2.gz PVYUNEGZYHCATA-ZDUSSCGKSA-N 1 2 356.382 2.635 20 5 FFBDLO Cc1cccn2cc(CNC(=O)CCNc3ccccc3[N+](=O)[O-])[nH+]c12 ZINC000518346460 516622067 /nfs/dbraw/zinc/62/20/67/516622067.db2.gz MIFYCYVGBXTPKV-UHFFFAOYSA-N 1 2 353.382 2.669 20 5 FFBDLO CCOc1cc(C[NH+]2CCC(N3CCOC[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000518995793 516849636 /nfs/dbraw/zinc/84/96/36/516849636.db2.gz IYGUWBZKTBYZSC-OAHLLOKOSA-N 1 2 363.458 2.679 20 5 FFBDLO CC(C)(C)Oc1cccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 ZINC000536641717 516869030 /nfs/dbraw/zinc/86/90/30/516869030.db2.gz QDWFIBLUNMFECJ-UHFFFAOYSA-N 1 2 371.441 2.884 20 5 FFBDLO Cc1nc(N)c(CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c[nH+]1 ZINC000552018969 517031952 /nfs/dbraw/zinc/03/19/52/517031952.db2.gz WJCGGRMNMSUZBT-UHFFFAOYSA-N 1 2 361.427 2.536 20 5 FFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000559094176 517078811 /nfs/dbraw/zinc/07/88/11/517078811.db2.gz FNNBRGZFQPQXOS-CYBMUJFWSA-N 1 2 353.382 2.723 20 5 FFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000559094176 517078821 /nfs/dbraw/zinc/07/88/21/517078821.db2.gz FNNBRGZFQPQXOS-CYBMUJFWSA-N 1 2 353.382 2.723 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000519706141 517138518 /nfs/dbraw/zinc/13/85/18/517138518.db2.gz MWJSRFJEHGYXNQ-UHFFFAOYSA-N 1 2 368.393 2.726 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC=C(c2ccccn2)C1 ZINC000519706141 517138527 /nfs/dbraw/zinc/13/85/27/517138527.db2.gz MWJSRFJEHGYXNQ-UHFFFAOYSA-N 1 2 368.393 2.726 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCCCNc2cccc[nH+]2)c1 ZINC000537326253 517144732 /nfs/dbraw/zinc/14/47/32/517144732.db2.gz UDAOTHNOAJPVJI-UHFFFAOYSA-N 1 2 358.398 2.686 20 5 FFBDLO O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)cc1 ZINC000545381803 517209017 /nfs/dbraw/zinc/20/90/17/517209017.db2.gz DHBIGAXXCQDREZ-UHFFFAOYSA-N 1 2 358.379 2.640 20 5 FFBDLO Cc1cc(NC[C@@H](CO)Cc2ccco2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000519937983 517246802 /nfs/dbraw/zinc/24/68/02/517246802.db2.gz QTWRPGYKCDCURM-AWEZNQCLSA-N 1 2 368.393 2.638 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCc4ccc(O)cc4C3)o2)cc1 ZINC000533071473 517279649 /nfs/dbraw/zinc/27/96/49/517279649.db2.gz HIXGERJYNMNGTO-UHFFFAOYSA-N 1 2 352.350 2.909 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCc4ccc(O)cc4C3)o2)cc1 ZINC000533071473 517279652 /nfs/dbraw/zinc/27/96/52/517279652.db2.gz HIXGERJYNMNGTO-UHFFFAOYSA-N 1 2 352.350 2.909 20 5 FFBDLO C[C@H]1CO[C@H](CO)C[N@@H+]1Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000537699415 517302402 /nfs/dbraw/zinc/30/24/02/517302402.db2.gz PNGIURSWSJBHKI-YJBOKZPZSA-N 1 2 371.437 2.944 20 5 FFBDLO C[C@H]1CO[C@H](CO)C[N@H+]1Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000537699415 517302410 /nfs/dbraw/zinc/30/24/10/517302410.db2.gz PNGIURSWSJBHKI-YJBOKZPZSA-N 1 2 371.437 2.944 20 5 FFBDLO O=[N+]([O-])c1ccccc1OCc1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000545626329 517314863 /nfs/dbraw/zinc/31/48/63/517314863.db2.gz OCQDTNHMKDAOOM-UHFFFAOYSA-N 1 2 351.322 2.795 20 5 FFBDLO CC[N@@H+]1CC[C@@H](Nc2c([N+](=O)[O-])ncn2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542037833 517352163 /nfs/dbraw/zinc/35/21/63/517352163.db2.gz XIDLHWQBCALEPU-OCCSQVGLSA-N 1 2 369.347 2.993 20 5 FFBDLO CC[N@H+]1CC[C@@H](Nc2c([N+](=O)[O-])ncn2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542037833 517352171 /nfs/dbraw/zinc/35/21/71/517352171.db2.gz XIDLHWQBCALEPU-OCCSQVGLSA-N 1 2 369.347 2.993 20 5 FFBDLO COc1cc(C[N@@H+]2CCOCC3(CC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000542055069 517360810 /nfs/dbraw/zinc/36/08/10/517360810.db2.gz LTIKMOMUYRFWNN-UHFFFAOYSA-N 1 2 372.368 2.860 20 5 FFBDLO COc1cc(C[N@H+]2CCOCC3(CC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000542055069 517360814 /nfs/dbraw/zinc/36/08/14/517360814.db2.gz LTIKMOMUYRFWNN-UHFFFAOYSA-N 1 2 372.368 2.860 20 5 FFBDLO C[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](c2ccccc2)O1 ZINC000520386898 517374158 /nfs/dbraw/zinc/37/41/58/517374158.db2.gz HCZWXIWSQMNODG-BPAFIMBUSA-N 1 2 372.421 2.797 20 5 FFBDLO C[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](c2ccccc2)O1 ZINC000520386898 517374169 /nfs/dbraw/zinc/37/41/69/517374169.db2.gz HCZWXIWSQMNODG-BPAFIMBUSA-N 1 2 372.421 2.797 20 5 FFBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000562764818 517376947 /nfs/dbraw/zinc/37/69/47/517376947.db2.gz YGDQGIZCDUSQPN-BHYNMZESSA-N 1 2 357.332 2.699 20 5 FFBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000562764818 517376959 /nfs/dbraw/zinc/37/69/59/517376959.db2.gz YGDQGIZCDUSQPN-BHYNMZESSA-N 1 2 357.332 2.699 20 5 FFBDLO Cc1cc(C[C@H](C)[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000520439424 517394098 /nfs/dbraw/zinc/39/40/98/517394098.db2.gz UVUDXQXYXGFWSQ-YVEFUNNKSA-N 1 2 354.414 2.670 20 5 FFBDLO O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000546146617 517567078 /nfs/dbraw/zinc/56/70/78/517567078.db2.gz UMDYMRPYPBYPHZ-UHFFFAOYSA-N 1 2 358.379 2.722 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000538428244 517616665 /nfs/dbraw/zinc/61/66/65/517616665.db2.gz LVFLGMMBNLSNHM-UHFFFAOYSA-N 1 2 354.366 2.636 20 5 FFBDLO CCOC(=O)C[C@@H](C)CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534092084 517737249 /nfs/dbraw/zinc/73/72/49/517737249.db2.gz JGUCNTOUAHHSLE-GFCCVEGCSA-N 1 2 358.398 2.783 20 5 FFBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCSC[C@H]2CCO)c1 ZINC000549866449 517754776 /nfs/dbraw/zinc/75/47/76/517754776.db2.gz WRAZNDWMHYMGOY-GFCCVEGCSA-N 1 2 350.362 2.913 20 5 FFBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCSC[C@H]2CCO)c1 ZINC000549866449 517754783 /nfs/dbraw/zinc/75/47/83/517754783.db2.gz WRAZNDWMHYMGOY-GFCCVEGCSA-N 1 2 350.362 2.913 20 5 FFBDLO C[C@@H]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@H]1n1cc[nH+]c1 ZINC000534258181 517809589 /nfs/dbraw/zinc/80/95/89/517809589.db2.gz VZOSHTFPSJJYDC-MLGOLLRUSA-N 1 2 353.382 2.996 20 5 FFBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000553640063 517827886 /nfs/dbraw/zinc/82/78/86/517827886.db2.gz PDCAYFFUHJGUNP-UHFFFAOYSA-N 1 2 369.406 2.965 20 5 FFBDLO Cc1cc(C2CC[NH+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)[nH]n1 ZINC000542975271 517850007 /nfs/dbraw/zinc/85/00/07/517850007.db2.gz ODVRHCZPEMTMOX-UHFFFAOYSA-N 1 2 357.414 2.753 20 5 FFBDLO Cc1cc(C2CC[NH+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)n[nH]1 ZINC000542975271 517850010 /nfs/dbraw/zinc/85/00/10/517850010.db2.gz ODVRHCZPEMTMOX-UHFFFAOYSA-N 1 2 357.414 2.753 20 5 FFBDLO Cc1c(Br)c(N2CCC[C@H]2Cn2cc[nH+]c2)ncc1[N+](=O)[O-] ZINC000543435502 518088866 /nfs/dbraw/zinc/08/88/66/518088866.db2.gz XVXAPVPLIYTBKP-NSHDSACASA-N 1 2 366.219 2.926 20 5 FFBDLO Cc1c(Br)c(N2CC[NH+](CC(C)C)CC2)ncc1[N+](=O)[O-] ZINC000543435554 518089095 /nfs/dbraw/zinc/08/90/95/518089095.db2.gz ZPUOAAUYEDCSPU-UHFFFAOYSA-N 1 2 357.252 2.839 20 5 FFBDLO Cc1c(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)cccc1[N+](=O)[O-] ZINC000535263570 518171662 /nfs/dbraw/zinc/17/16/62/518171662.db2.gz AFBATARLUHBKLK-UHFFFAOYSA-N 1 2 359.451 2.852 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000584439187 518341528 /nfs/dbraw/zinc/34/15/28/518341528.db2.gz JFWMTYTWBJTHLG-AWEZNQCLSA-N 1 2 363.805 2.639 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000584439187 518341533 /nfs/dbraw/zinc/34/15/33/518341533.db2.gz JFWMTYTWBJTHLG-AWEZNQCLSA-N 1 2 363.805 2.639 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000579389468 518656729 /nfs/dbraw/zinc/65/67/29/518656729.db2.gz ROCRJHDYZXEALY-CQSZACIVSA-N 1 2 363.805 2.932 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCCc2occc2C1 ZINC000582986722 519021067 /nfs/dbraw/zinc/02/10/67/519021067.db2.gz DLLOYPPWGKFLPY-UHFFFAOYSA-N 1 2 357.410 2.973 20 5 FFBDLO CN(C)c1cccnc1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000589603790 519038886 /nfs/dbraw/zinc/03/88/86/519038886.db2.gz PSSQDDHVRUEFSV-UHFFFAOYSA-N 1 2 371.441 2.500 20 5 FFBDLO CN(C(=O)c1cccc(O)c1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000565661709 519070283 /nfs/dbraw/zinc/07/02/83/519070283.db2.gz UJKAGMUVYVUNGK-OAHLLOKOSA-N 1 2 355.394 2.647 20 5 FFBDLO CN(C(=O)c1cccc(O)c1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000565661709 519070289 /nfs/dbraw/zinc/07/02/89/519070289.db2.gz UJKAGMUVYVUNGK-OAHLLOKOSA-N 1 2 355.394 2.647 20 5 FFBDLO CC1(C)CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000583123589 519086074 /nfs/dbraw/zinc/08/60/74/519086074.db2.gz KLQDWPPXQLZEAF-UHFFFAOYSA-N 1 2 363.458 2.821 20 5 FFBDLO Nc1nc(N[C@@H]2CCC[C@@H](c3[nH]c4ccccc4[nH+]3)C2)ncc1[N+](=O)[O-] ZINC000578009299 519370364 /nfs/dbraw/zinc/37/03/64/519370364.db2.gz NZKUQDZUDISGAK-GHMZBOCLSA-N 1 2 353.386 2.812 20 5 FFBDLO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000578257973 519499039 /nfs/dbraw/zinc/49/90/39/519499039.db2.gz QEJUTXSRJHPVSG-QGZVFWFLSA-N 1 2 373.457 2.913 20 5 FFBDLO CC[C@H]1C[N@H+](C)CCN1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000569379221 519520370 /nfs/dbraw/zinc/52/03/70/519520370.db2.gz UYLZIAAOURNFHK-QMMMGPOBSA-N 1 2 362.249 2.585 20 5 FFBDLO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000569379221 519520374 /nfs/dbraw/zinc/52/03/74/519520374.db2.gz UYLZIAAOURNFHK-QMMMGPOBSA-N 1 2 362.249 2.585 20 5 FFBDLO COC(=O)COc1ccc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000584144696 519610668 /nfs/dbraw/zinc/61/06/68/519610668.db2.gz KKVATQTYANGPOK-UHFFFAOYSA-N 1 2 372.377 2.541 20 5 FFBDLO COC(=O)COc1ccc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000584144696 519610670 /nfs/dbraw/zinc/61/06/70/519610670.db2.gz KKVATQTYANGPOK-UHFFFAOYSA-N 1 2 372.377 2.541 20 5 FFBDLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000597295491 519940290 /nfs/dbraw/zinc/94/02/90/519940290.db2.gz CAYXIXXTCMQADF-CXAGYDPISA-N 1 2 358.423 2.628 20 5 FFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1 ZINC000600208875 520125511 /nfs/dbraw/zinc/12/55/11/520125511.db2.gz PKANSDGARHCZMN-VXMWWYGOSA-N 1 2 360.382 2.682 20 5 FFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1 ZINC000600208875 520125517 /nfs/dbraw/zinc/12/55/17/520125517.db2.gz PKANSDGARHCZMN-VXMWWYGOSA-N 1 2 360.382 2.682 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000609046255 520182313 /nfs/dbraw/zinc/18/23/13/520182313.db2.gz HFIZMRQIGUNLAN-UHFFFAOYSA-N 1 2 373.291 2.684 20 5 FFBDLO CC[C@H](COCC1CC1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000597919552 520323202 /nfs/dbraw/zinc/32/32/02/520323202.db2.gz NEYZTZDAHOKXPR-OAHLLOKOSA-N 1 2 358.398 2.716 20 5 FFBDLO O=C(CCc1cccc([N+](=O)[O-])c1)NCc1ccc[nH+]c1N1CCCC1 ZINC000597939756 520338851 /nfs/dbraw/zinc/33/88/51/520338851.db2.gz ARLLOCVBLGFMLQ-UHFFFAOYSA-N 1 2 354.410 2.839 20 5 FFBDLO CNc1ccc(C(=O)NCc2ccc[nH+]c2N2CCCC2)cc1[N+](=O)[O-] ZINC000597939841 520340042 /nfs/dbraw/zinc/34/00/42/520340042.db2.gz CPCBDFLBYLMNFW-UHFFFAOYSA-N 1 2 355.398 2.562 20 5 FFBDLO Cn1cc(C(=O)Nc2ccc3[nH+]ccn3c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000609623080 520383226 /nfs/dbraw/zinc/38/32/26/520383226.db2.gz JYDDPNGTHCIORA-UHFFFAOYSA-N 1 2 362.349 2.895 20 5 FFBDLO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[NH+](C4CC4)CC3)cc2[N+](=O)[O-])C1 ZINC000604472570 520570283 /nfs/dbraw/zinc/57/02/83/520570283.db2.gz ORVUZOYRAWPZCG-OAHLLOKOSA-N 1 2 372.469 2.751 20 5 FFBDLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000595627653 520603879 /nfs/dbraw/zinc/60/38/79/520603879.db2.gz TVQNSWJVFSVMPD-MNOVXSKESA-N 1 2 364.295 2.907 20 5 FFBDLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000595627653 520603887 /nfs/dbraw/zinc/60/38/87/520603887.db2.gz TVQNSWJVFSVMPD-MNOVXSKESA-N 1 2 364.295 2.907 20 5 FFBDLO CCCN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)[C@H]1CC[N@H+](C)C1 ZINC000592828866 520605322 /nfs/dbraw/zinc/60/53/22/520605322.db2.gz KIKGJJUTUZZCRD-HNNXBMFYSA-N 1 2 357.414 2.541 20 5 FFBDLO CCCN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)[C@H]1CC[N@@H+](C)C1 ZINC000592828866 520605333 /nfs/dbraw/zinc/60/53/33/520605333.db2.gz KIKGJJUTUZZCRD-HNNXBMFYSA-N 1 2 357.414 2.541 20 5 FFBDLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000595630492 520607527 /nfs/dbraw/zinc/60/75/27/520607527.db2.gz YZOXIDTWNUFHCR-ZJUUUORDSA-N 1 2 352.334 2.830 20 5 FFBDLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000595630492 520607534 /nfs/dbraw/zinc/60/75/34/520607534.db2.gz YZOXIDTWNUFHCR-ZJUUUORDSA-N 1 2 352.334 2.830 20 5 FFBDLO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCCc1cn2ccccc2[nH+]1 ZINC000601101453 520636599 /nfs/dbraw/zinc/63/65/99/520636599.db2.gz NTTRVAKLHZAVEM-UHFFFAOYSA-N 1 2 354.292 2.649 20 5 FFBDLO C[C@@H]1CN(c2ccc(CNc3ncc(F)cc3[N+](=O)[O-])c[nH+]2)C[C@@H](C)O1 ZINC000601104995 520638457 /nfs/dbraw/zinc/63/84/57/520638457.db2.gz PRAAIQQNSXLPGC-VXGBXAGGSA-N 1 2 361.377 2.750 20 5 FFBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000601224524 520697581 /nfs/dbraw/zinc/69/75/81/520697581.db2.gz GNBUOEWAPPRPEH-ZDUSSCGKSA-N 1 2 368.821 2.577 20 5 FFBDLO Nc1c(F)c(NCc2cc[nH+]c(N3CCSCC3)c2)ccc1[N+](=O)[O-] ZINC000601239799 520703802 /nfs/dbraw/zinc/70/38/02/520703802.db2.gz CFEDVCWCWIDFNY-UHFFFAOYSA-N 1 2 363.418 2.876 20 5 FFBDLO C[C@H]1COC2(CCCC2)C[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595815081 520742445 /nfs/dbraw/zinc/74/24/45/520742445.db2.gz LBVJYPXXPRPNMO-AWEZNQCLSA-N 1 2 359.426 2.517 20 5 FFBDLO C[C@H]1COC2(CCCC2)C[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595815081 520742454 /nfs/dbraw/zinc/74/24/54/520742454.db2.gz LBVJYPXXPRPNMO-AWEZNQCLSA-N 1 2 359.426 2.517 20 5 FFBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601346909 520750182 /nfs/dbraw/zinc/75/01/82/520750182.db2.gz BTYJEEUDVXWVTJ-UHFFFAOYSA-N 1 2 360.345 2.526 20 5 FFBDLO CN(C)c1c[nH+]ccc1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000614050488 520778620 /nfs/dbraw/zinc/77/86/20/520778620.db2.gz BXVJTHATFPRKAR-UHFFFAOYSA-N 1 2 369.406 2.854 20 5 FFBDLO Cc1ccc(S(=O)(=O)Nc2cccc3c2C[N@H+](C)C3)c(C)c1[N+](=O)[O-] ZINC000598733950 520815910 /nfs/dbraw/zinc/81/59/10/520815910.db2.gz GNPGDZZHMCNPTL-UHFFFAOYSA-N 1 2 361.423 2.958 20 5 FFBDLO Cc1ccc(S(=O)(=O)Nc2cccc3c2C[N@@H+](C)C3)c(C)c1[N+](=O)[O-] ZINC000598733950 520815917 /nfs/dbraw/zinc/81/59/17/520815917.db2.gz GNPGDZZHMCNPTL-UHFFFAOYSA-N 1 2 361.423 2.958 20 5 FFBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC(F)(F)c2ccc(F)cc2)c1 ZINC000596064753 520890279 /nfs/dbraw/zinc/89/02/79/520890279.db2.gz JERGEHSJJHORGO-OAHLLOKOSA-N 1 2 370.327 2.855 20 5 FFBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593477329 521018942 /nfs/dbraw/zinc/01/89/42/521018942.db2.gz ZMZGELNMRCIKFM-AWEZNQCLSA-N 1 2 372.400 2.577 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000611196861 521031613 /nfs/dbraw/zinc/03/16/13/521031613.db2.gz WYBOYPUOIOGYKT-GOSISDBHSA-N 1 2 366.377 2.613 20 5 FFBDLO COC(=O)c1cc(C)nc(N2CC[C@H](c3cc(C)cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000599099668 521032132 /nfs/dbraw/zinc/03/21/32/521032132.db2.gz IRHSVPHTPDRNLV-ZDUSSCGKSA-N 1 2 356.382 2.782 20 5 FFBDLO O=[N+]([O-])c1cncc(Br)c1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000611227447 521047853 /nfs/dbraw/zinc/04/78/53/521047853.db2.gz VLZVPFRQGNGLKO-SNVBAGLBSA-N 1 2 352.192 2.790 20 5 FFBDLO Cc1cccc(N2CC[NH+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CC2)c1 ZINC000611253294 521060831 /nfs/dbraw/zinc/06/08/31/521060831.db2.gz YVOINUJWEGVVED-UHFFFAOYSA-N 1 2 369.421 2.997 20 5 FFBDLO Cc1cc(NCCO[C@H]2CC2(F)F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596446039 521073474 /nfs/dbraw/zinc/07/34/74/521073474.db2.gz CUOAWCDSPLWOQF-ZDUSSCGKSA-N 1 2 350.325 2.618 20 5 FFBDLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NCCc1ccccc1[N+](=O)[O-] ZINC000602107542 521147046 /nfs/dbraw/zinc/14/70/46/521147046.db2.gz GRSSRAHUEOBQIJ-CYBMUJFWSA-N 1 2 356.304 2.644 20 5 FFBDLO COc1ccc(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000602130003 521161635 /nfs/dbraw/zinc/16/16/35/521161635.db2.gz KJGGFHUBKBAUMQ-GFCCVEGCSA-N 1 2 358.276 2.932 20 5 FFBDLO COc1cc(C[NH2+]Cc2cc(C)ncn2)c([N+](=O)[O-])cc1OCC(F)F ZINC000611520888 521199795 /nfs/dbraw/zinc/19/97/95/521199795.db2.gz TZSJYCPNJRDTOD-UHFFFAOYSA-N 1 2 368.340 2.636 20 5 FFBDLO O=C([C@@H]1CC12CC[NH+](Cc1cc(O)ccc1[N+](=O)[O-])CC2)N1CCCCC1 ZINC000611532348 521207254 /nfs/dbraw/zinc/20/72/54/521207254.db2.gz WCJDSABCEQUWCJ-KRWDZBQOSA-N 1 2 373.453 2.915 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H](OC(F)F)C3)o2)cc1 ZINC000611579372 521232617 /nfs/dbraw/zinc/23/26/17/521232617.db2.gz VSYOKHMRPKPFFU-LBPRGKRZSA-N 1 2 354.313 2.848 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@H](OC(F)F)C3)o2)cc1 ZINC000611579372 521232621 /nfs/dbraw/zinc/23/26/21/521232621.db2.gz VSYOKHMRPKPFFU-LBPRGKRZSA-N 1 2 354.313 2.848 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611579181 521232994 /nfs/dbraw/zinc/23/29/94/521232994.db2.gz SPSBNXPTJCZRED-CMPLNLGQSA-N 1 2 373.356 2.634 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611579181 521233003 /nfs/dbraw/zinc/23/30/03/521233003.db2.gz SPSBNXPTJCZRED-CMPLNLGQSA-N 1 2 373.356 2.634 20 5 FFBDLO CCn1ccc(CN(C)c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])c1 ZINC000619156921 521422485 /nfs/dbraw/zinc/42/24/85/521422485.db2.gz RRQFIAPKLSAWTK-UHFFFAOYSA-N 1 2 358.442 2.885 20 5 FFBDLO CC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000594172292 521447965 /nfs/dbraw/zinc/44/79/65/521447965.db2.gz IJDLDHCGIDMMPF-WMLDXEAASA-N 1 2 358.398 2.858 20 5 FFBDLO CCn1nc(C)c(C[N@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1C ZINC000602729226 521499673 /nfs/dbraw/zinc/49/96/73/521499673.db2.gz VAHSDJQZKHLNPL-UHFFFAOYSA-N 1 2 360.414 2.831 20 5 FFBDLO CCn1nc(C)c(C[N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1C ZINC000602729226 521499683 /nfs/dbraw/zinc/49/96/83/521499683.db2.gz VAHSDJQZKHLNPL-UHFFFAOYSA-N 1 2 360.414 2.831 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599832626 521501781 /nfs/dbraw/zinc/50/17/81/521501781.db2.gz GSNFLLIEFCDJSO-LBPRGKRZSA-N 1 2 366.381 2.898 20 5 FFBDLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000615765579 521523935 /nfs/dbraw/zinc/52/39/35/521523935.db2.gz ROOKLVDKLAJDQR-DYVFJYSZSA-N 1 2 358.423 2.628 20 5 FFBDLO CC1(C)[C@H]2[C@H](CCC[N@@H+]2CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1O ZINC000872258280 731746405 /nfs/dbraw/zinc/74/64/05/731746405.db2.gz BDVLNIJKRGTNDX-XZJROXQQSA-N 1 2 367.833 2.668 20 5 FFBDLO CC1(C)[C@H]2[C@H](CCC[N@H+]2CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1O ZINC000872258280 731746408 /nfs/dbraw/zinc/74/64/08/731746408.db2.gz BDVLNIJKRGTNDX-XZJROXQQSA-N 1 2 367.833 2.668 20 5 FFBDLO O=[N+]([O-])c1ccc2nc(N3CC[NH+](Cc4cncs4)CC3)sc2c1 ZINC000894848401 734927151 /nfs/dbraw/zinc/92/71/51/734927151.db2.gz PDJKFKQLCRMKNZ-UHFFFAOYSA-N 1 2 361.452 2.983 20 5 FFBDLO O=C(c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)N1CC[NH+](C2CC2)CC1 ZINC000895940041 735077265 /nfs/dbraw/zinc/07/72/65/735077265.db2.gz FCTLTUDDIRZXIZ-UHFFFAOYSA-N 1 2 362.188 2.961 20 5 FFBDLO CC(C)(C)OC(=O)NC[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000763431575 736937803 /nfs/dbraw/zinc/93/78/03/736937803.db2.gz IQQWOLUIBWIRLN-AWEZNQCLSA-N 1 2 351.403 2.693 20 5 FFBDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913386251 737397180 /nfs/dbraw/zinc/39/71/80/737397180.db2.gz RQOCDKSDQPUWLY-NXEZZACHSA-N 1 2 352.753 2.541 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2cnn(C[NH+]3CCC(O)(C(F)F)CC3)c2)c1 ZINC000777574242 738301864 /nfs/dbraw/zinc/30/18/64/738301864.db2.gz UTBJMZYWCAFPQI-UHFFFAOYSA-N 1 2 352.341 2.508 20 5 FFBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCc1cc[nH+]c(N)c1 ZINC000791777903 739601952 /nfs/dbraw/zinc/60/19/52/739601952.db2.gz MMDDQJLDFQODAU-SECBINFHSA-N 1 2 351.746 2.736 20 5 FFBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@H+](CCC1OCCCO1)CC2 ZINC000792896261 739716349 /nfs/dbraw/zinc/71/63/49/739716349.db2.gz FOWMLUQXYRZXIK-UHFFFAOYSA-N 1 2 371.231 2.869 20 5 FFBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@@H+](CCC1OCCCO1)CC2 ZINC000792896261 739716353 /nfs/dbraw/zinc/71/63/53/739716353.db2.gz FOWMLUQXYRZXIK-UHFFFAOYSA-N 1 2 371.231 2.869 20 5 FFBDLO O=C(OCc1cccc(C[NH+]2CCOCC2)c1)c1ccc([N+](=O)[O-])s1 ZINC000817179170 742102163 /nfs/dbraw/zinc/10/21/63/742102163.db2.gz ZBDDIAKWDLSTDD-UHFFFAOYSA-N 1 2 362.407 2.846 20 5 FFBDLO Cc1nn(C[N@@H+]2C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000817369549 742131682 /nfs/dbraw/zinc/13/16/82/742131682.db2.gz CFGNHSOPPZWFSB-FZMZJTMJSA-N 1 2 352.435 2.665 20 5 FFBDLO Cc1nn(C[N@H+]2C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000817369549 742131683 /nfs/dbraw/zinc/13/16/83/742131683.db2.gz CFGNHSOPPZWFSB-FZMZJTMJSA-N 1 2 352.435 2.665 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@@H]2CSC[C@@H]2C1 ZINC000827102865 743507700 /nfs/dbraw/zinc/50/77/00/743507700.db2.gz OPVRXUIFGFUEKI-KGLIPLIRSA-N 1 2 358.423 2.606 20 5 FFBDLO C[NH+](C)Cc1csc(CNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)n1 ZINC000829976084 745287622 /nfs/dbraw/zinc/28/76/22/745287622.db2.gz KFPOZUXTYFQMFQ-HUUCEWRRSA-N 1 2 360.439 2.533 20 5 FFBDLO COC(=O)C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839481373 746835715 /nfs/dbraw/zinc/83/57/15/746835715.db2.gz XVZGOGOJTVXTCE-GFCCVEGCSA-N 1 2 369.805 2.604 20 5 FFBDLO COC(=O)C[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839481373 746835719 /nfs/dbraw/zinc/83/57/19/746835719.db2.gz XVZGOGOJTVXTCE-GFCCVEGCSA-N 1 2 369.805 2.604 20 5 FFBDLO CCOCCO[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839529057 746847866 /nfs/dbraw/zinc/84/78/66/746847866.db2.gz XCMNFIKIDHJNFF-ZDUSSCGKSA-N 1 2 373.247 2.985 20 5 FFBDLO CCOCCO[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839529057 746847872 /nfs/dbraw/zinc/84/78/72/746847872.db2.gz XCMNFIKIDHJNFF-ZDUSSCGKSA-N 1 2 373.247 2.985 20 5 FFBDLO O=C(CCn1cc[nH+]c1)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000839864268 746946219 /nfs/dbraw/zinc/94/62/19/746946219.db2.gz PTXUTYKBUACTBX-ZDUSSCGKSA-N 1 2 360.267 2.740 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)cc1Cl ZINC000841347055 747321187 /nfs/dbraw/zinc/32/11/87/747321187.db2.gz MNNKHYKMBKSPAJ-UHFFFAOYSA-N 1 2 369.849 2.739 20 5 FFBDLO C[C@@H](CC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)n1cc[nH+]c1 ZINC000845279776 748218329 /nfs/dbraw/zinc/21/83/29/748218329.db2.gz OTKQZFWJPQDMQN-JTQLQIEISA-N 1 2 366.761 2.578 20 5 FFBDLO C[C@@H](CC(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)n1cc[nH+]c1 ZINC000845278368 748218469 /nfs/dbraw/zinc/21/84/69/748218469.db2.gz NPZPTQREMSMYDM-JTQLQIEISA-N 1 2 366.761 2.578 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1)c1cccc([N+](=O)[O-])c1 ZINC000872107796 1013147213 /nfs/dbraw/zinc/14/72/13/1013147213.db2.gz OXJKJDUYSFZMEM-XFKAJCMBSA-N 1 2 356.426 2.965 20 5 FFBDLO COc1ncc([N+](=O)[O-])cc1-c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001212968842 1013249433 /nfs/dbraw/zinc/24/94/33/1013249433.db2.gz XPLVEUQPGFVWDC-UHFFFAOYSA-N 1 2 364.321 2.901 20 5 FFBDLO CCOc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000874894780 1013926361 /nfs/dbraw/zinc/92/63/61/1013926361.db2.gz UBIHOJXXYBQUHX-MRXNPFEDSA-N 1 2 373.384 2.919 20 5 FFBDLO COc1c(C(=O)N2CC3(CC[N@@H+]3Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000910781332 982061605 /nfs/dbraw/zinc/06/16/05/982061605.db2.gz PNGWXPMNUZHHFU-UHFFFAOYSA-N 1 2 367.405 2.704 20 5 FFBDLO COc1c(C(=O)N2CC3(CC[N@H+]3Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000910781332 982061612 /nfs/dbraw/zinc/06/16/12/982061612.db2.gz PNGWXPMNUZHHFU-UHFFFAOYSA-N 1 2 367.405 2.704 20 5 FFBDLO CCC[C@@H](OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(=O)OCC ZINC000801863445 984362576 /nfs/dbraw/zinc/36/25/76/984362576.db2.gz ZBNAHDFYBKAWRG-OAHLLOKOSA-N 1 2 361.354 2.669 20 5 FFBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)c1 ZINC000157861652 984695876 /nfs/dbraw/zinc/69/58/76/984695876.db2.gz XMBZMYPXNYWJOA-QUCCMNQESA-N 1 2 372.421 2.798 20 5 FFBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)c1 ZINC000157861652 984695879 /nfs/dbraw/zinc/69/58/79/984695879.db2.gz XMBZMYPXNYWJOA-QUCCMNQESA-N 1 2 372.421 2.798 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2cnn(C[NH+]3CCC(O)(C(F)(F)F)CC3)c2)cc1 ZINC000132519761 988242091 /nfs/dbraw/zinc/24/20/91/988242091.db2.gz KOIMSMJGEKXRRL-UHFFFAOYSA-N 1 2 370.331 2.805 20 5 FFBDLO COc1cccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000193753245 988911015 /nfs/dbraw/zinc/91/10/15/988911015.db2.gz RNNOLTPMTYKSRP-UHFFFAOYSA-N 1 2 355.394 2.561 20 5 FFBDLO O=C(Nc1cnc(CC2CC2)nc1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001128951675 990091287 /nfs/dbraw/zinc/09/12/87/990091287.db2.gz SCWHHQVKTOEAFP-UHFFFAOYSA-N 1 2 364.365 2.775 20 5 FFBDLO CN1CC[NH+](Cc2cccc(NC(=O)c3cc(F)ccc3[N+](=O)[O-])c2)CC1 ZINC000154812700 990493735 /nfs/dbraw/zinc/49/37/35/990493735.db2.gz MYJVNMIKYJTMAE-UHFFFAOYSA-N 1 2 372.400 2.734 20 5 FFBDLO CCOC(=O)c1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000179535181 991289285 /nfs/dbraw/zinc/28/92/85/991289285.db2.gz CXZLGQGHKLXOSO-UHFFFAOYSA-N 1 2 359.382 2.687 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC2(CCCCO2)CC1 ZINC000880456020 1015839170 /nfs/dbraw/zinc/83/91/70/1015839170.db2.gz DOYJIMNZILKZLW-UHFFFAOYSA-N 1 2 363.414 2.577 20 5 FFBDLO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCc1ccn2cc[nH+]c2c1 ZINC000811816662 995268567 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OVTOXGIJQNEWIH-GUYCJALGSA-N 1 2 359.382 2.781 20 5 FFBDLO COc1ccc([C@H]2[C@H](COC(=O)c3ccc([N+](=O)[O-])[nH]3)CC[N@H+]2C)cc1 ZINC000741120953 999709540 /nfs/dbraw/zinc/70/95/40/999709540.db2.gz OVTOXGIJQNEWIH-GUYCJALGSA-N 1 2 359.382 2.781 20 5 FFBDLO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCCc1cn2ccccc2[nH+]1 ZINC000742257355 999767329 /nfs/dbraw/zinc/76/73/29/999767329.db2.gz SNKHYOVSBQTASB-UHFFFAOYSA-N 1 2 367.365 2.854 20 5 FFBDLO Cc1cccc2ncc(C[NH+]3CCN(c4ccc([N+](=O)[O-])cc4)CC3)n21 ZINC000768152722 1000184988 /nfs/dbraw/zinc/18/49/88/1000184988.db2.gz VLTLERRRHWANNM-UHFFFAOYSA-N 1 2 351.410 2.873 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@@H]1c1ncccn1 ZINC001148159083 1001049003 /nfs/dbraw/zinc/04/90/03/1001049003.db2.gz GFMBDCBGZFNGNA-OAHLLOKOSA-N 1 2 364.365 2.548 20 5 FFBDLO Cc1cccn2cc(CCNC(=O)c3cc([N+](=O)[O-])ccc3N(C)C)[nH+]c12 ZINC000746541013 1001395162 /nfs/dbraw/zinc/39/51/62/1001395162.db2.gz ZRUWCEBMYUJSOX-UHFFFAOYSA-N 1 2 367.409 2.589 20 5 FFBDLO Cc1cccn2cc(CCNC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)[nH+]c12 ZINC000746540779 1001395811 /nfs/dbraw/zinc/39/58/11/1001395811.db2.gz XMTTVYKTPIVVMW-TWGQIWQCSA-N 1 2 350.378 2.923 20 5 FFBDLO O=C(Oc1ccc2cncnc2c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000772523048 1001415756 /nfs/dbraw/zinc/41/57/56/1001415756.db2.gz DDUMPMBCQHQDPM-UHFFFAOYSA-N 1 2 361.317 2.943 20 5 FFBDLO CCCCOC(=O)[C@@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785677451 1001466613 /nfs/dbraw/zinc/46/66/13/1001466613.db2.gz MQRPSZUTDGWXGX-GFCCVEGCSA-N 1 2 361.354 2.669 20 5 FFBDLO Cn1cc[nH+]c1C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccccc1 ZINC000787077280 1001659070 /nfs/dbraw/zinc/65/90/70/1001659070.db2.gz ANBYQZCXAWXOPF-KRWDZBQOSA-N 1 2 365.393 2.624 20 5 FFBDLO COc1ccc(C[C@@H](C)N2CC[NH+](Cc3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC001170344399 1003131698 /nfs/dbraw/zinc/13/16/98/1003131698.db2.gz BSEBDHPKITZXRI-MRXNPFEDSA-N 1 2 370.453 2.747 20 5 FFBDLO Cc1cccc(C)c1NC(=O)C[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579248 1005959995 /nfs/dbraw/zinc/95/99/95/1005959995.db2.gz KKFUUARZZNVIDK-QGZVFWFLSA-N 1 2 357.410 2.816 20 5 FFBDLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579248 1005959996 /nfs/dbraw/zinc/95/99/96/1005959996.db2.gz KKFUUARZZNVIDK-QGZVFWFLSA-N 1 2 357.410 2.816 20 5 FFBDLO C[C@H]1COC2(CCCC2)C[N@@H+]1CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000853580113 1006456359 /nfs/dbraw/zinc/45/63/59/1006456359.db2.gz MAPDXIGEEGYOLZ-YJBOKZPZSA-N 1 2 373.453 2.902 20 5 FFBDLO C[C@H]1COC2(CCCC2)C[N@H+]1CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000853580113 1006456371 /nfs/dbraw/zinc/45/63/71/1006456371.db2.gz MAPDXIGEEGYOLZ-YJBOKZPZSA-N 1 2 373.453 2.902 20 5 FFBDLO COC(=O)N1CCN(c2ccc(Nc3ccc([N+](=O)[O-])c(C)c3)c[nH+]2)CC1 ZINC000814935096 1006470604 /nfs/dbraw/zinc/47/06/04/1006470604.db2.gz HMDYJIPVERAILH-UHFFFAOYSA-N 1 2 371.397 2.930 20 5 FFBDLO CC1(c2nnc(C3CCOCC3)o2)C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000854075116 1006660483 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PTRNAURZVQITDI-UHFFFAOYSA-N 1 2 365.393 2.777 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)c1cccc([N+](=O)[O-])c1 ZINC000886701478 1008828823 /nfs/dbraw/zinc/82/88/23/1008828823.db2.gz QDOJIOOWUQJHPT-IRXDYDNUSA-N 1 2 356.426 2.967 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC(C(=O)OC(C)C)CC2)c1 ZINC000886733002 1008849537 /nfs/dbraw/zinc/84/95/37/1008849537.db2.gz XDJSBKORHSBUIF-UHFFFAOYSA-N 1 2 364.398 2.545 20 5 FFBDLO CC(C)c1[nH]cc(CNC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)[nH+]1 ZINC001179095041 1009259937 /nfs/dbraw/zinc/25/99/37/1009259937.db2.gz FBDVCOXFSGGIOB-UHFFFAOYSA-N 1 2 368.397 2.616 20 5 FFBDLO CC(C)c1[nH]c(CNC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)c[nH+]1 ZINC001179095041 1009259942 /nfs/dbraw/zinc/25/99/42/1009259942.db2.gz FBDVCOXFSGGIOB-UHFFFAOYSA-N 1 2 368.397 2.616 20 5 FFBDLO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001181919367 1010304605 /nfs/dbraw/zinc/30/46/05/1010304605.db2.gz BXAUEHCXTCHAPG-LBPRGKRZSA-N 1 2 361.320 2.886 20 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Cc1ccccc1[C@H]1CC[N@@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000725779973 1020258354 /nfs/dbraw/zinc/25/83/54/1020258354.db2.gz SHLCFZPUKOPLBX-AWEZNQCLSA-N 1 2 365.389 2.946 20 5 FFBDLO COc1c(C)c[nH+]c(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)c1C ZINC000726237965 1020439940 /nfs/dbraw/zinc/43/99/40/1020439940.db2.gz WGKKPVAQXAVMJP-UHFFFAOYSA-N 1 2 358.398 2.657 20 5 FFBDLO COc1cc([C@@H](C)[NH2+][C@@H]2c3ccccc3CN(C)C2=O)cc([N+](=O)[O-])c1 ZINC000903205824 1020738254 /nfs/dbraw/zinc/73/82/54/1020738254.db2.gz FQMKUNUFUDAWSH-KZULUSFZSA-N 1 2 355.394 2.967 20 5 FFBDLO O=C1CCC2=C(CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Br)C2)N1 ZINC001118561017 1022289625 /nfs/dbraw/zinc/28/96/25/1022289625.db2.gz DSSFRXHXZGJNPQ-UHFFFAOYSA-N 1 2 366.215 2.727 20 5 FFBDLO O=C1CCC2=C(CC[N@H+](Cc3ccc([N+](=O)[O-])cc3Br)C2)N1 ZINC001118561017 1022289635 /nfs/dbraw/zinc/28/96/35/1022289635.db2.gz DSSFRXHXZGJNPQ-UHFFFAOYSA-N 1 2 366.215 2.727 20 5 FFBDLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001119041606 1022535701 /nfs/dbraw/zinc/53/57/01/1022535701.db2.gz VMCLNERMTNRBNX-AWEZNQCLSA-N 1 2 368.315 2.870 20 5 FFBDLO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000753820462 1023385419 /nfs/dbraw/zinc/38/54/19/1023385419.db2.gz NRWWFAMKVAHTQW-CQSZACIVSA-N 1 2 367.409 2.573 20 5 FFBDLO COC(=O)[C@H]1CCCC[C@H]1OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000755793094 1023637234 /nfs/dbraw/zinc/63/72/34/1023637234.db2.gz QLSIMHDYYFFCIT-XJKSGUPXSA-N 1 2 373.365 2.669 20 5 FFBDLO O=C(OCCCc1ccncc1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001124302760 1024320325 /nfs/dbraw/zinc/32/03/25/1024320325.db2.gz KEJUVHHMXQMAPZ-UHFFFAOYSA-N 1 2 352.350 2.965 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)n1 ZINC001125206316 1024426732 /nfs/dbraw/zinc/42/67/32/1024426732.db2.gz RKNQKYNBNNXJNB-UHFFFAOYSA-N 1 2 355.398 2.614 20 5 FFBDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246202662 1025871493 /nfs/dbraw/zinc/87/14/93/1025871493.db2.gz BGRMQBJTJMHZIT-RTBURBONSA-N 1 2 372.421 2.734 20 5 FFBDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246202662 1025871513 /nfs/dbraw/zinc/87/15/13/1025871513.db2.gz BGRMQBJTJMHZIT-RTBURBONSA-N 1 2 372.421 2.734 20 5 FFBDLO CCC[C@H](OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(=O)OCC ZINC000838102427 1026209780 /nfs/dbraw/zinc/20/97/80/1026209780.db2.gz QWHSJGKBQTXZNJ-HNNXBMFYSA-N 1 2 361.354 2.669 20 5 FFBDLO O=C1CC2(CCC2)C(=O)N1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000840127154 1026970883 /nfs/dbraw/zinc/97/08/83/1026970883.db2.gz RPAVMEXXPXSWJD-HNNXBMFYSA-N 1 2 357.410 2.661 20 5 FFBDLO O=C1CC2(CCC2)C(=O)N1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000840127154 1026970888 /nfs/dbraw/zinc/97/08/88/1026970888.db2.gz RPAVMEXXPXSWJD-HNNXBMFYSA-N 1 2 357.410 2.661 20 5 FFBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CN1C[C@@](C)(c2ccccn2)CC1=O ZINC000795645356 1027380151 /nfs/dbraw/zinc/38/01/51/1027380151.db2.gz OOTMWLSZFZCOBC-FQEVSTJZSA-N 1 2 368.437 2.612 20 5 FFBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CN1C[C@@](C)(c2ccccn2)CC1=O ZINC000795645356 1027380166 /nfs/dbraw/zinc/38/01/66/1027380166.db2.gz OOTMWLSZFZCOBC-FQEVSTJZSA-N 1 2 368.437 2.612 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3c(Cl)nc4ccccn43)C2)nc1 ZINC000093534272 1027753747 /nfs/dbraw/zinc/75/37/47/1027753747.db2.gz LZDBZMOFFHXDIR-GFCCVEGCSA-N 1 2 372.816 2.977 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3c(Cl)nc4ccccn43)C2)nc1 ZINC000093534272 1027753765 /nfs/dbraw/zinc/75/37/65/1027753765.db2.gz LZDBZMOFFHXDIR-GFCCVEGCSA-N 1 2 372.816 2.977 20 5 FFBDLO O=C1OCC[C@@H]1[NH+]1CCC(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001162832801 1028674423 /nfs/dbraw/zinc/67/44/23/1028674423.db2.gz ITGHFVVVKDKOIZ-ZDUSSCGKSA-N 1 2 373.331 2.805 20 5 FFBDLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001156776244 1029342573 /nfs/dbraw/zinc/34/25/73/1029342573.db2.gz YUNZVSJMTJRLFL-UHFFFAOYSA-N 1 2 354.326 2.720 20 5 FFBDLO C/C(=C\C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000784090543 1030460440 /nfs/dbraw/zinc/46/04/40/1030460440.db2.gz XGRUKHJVIYMGKR-GRNBYLDVSA-N 1 2 352.394 2.788 20 5 FFBDLO O=[N+]([O-])c1ccc(Cl)nc1OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001226364584 1034651701 /nfs/dbraw/zinc/65/17/01/1034651701.db2.gz OSFCVYVZEUUMDS-AWEZNQCLSA-N 1 2 363.801 2.923 20 5 FFBDLO O=[N+]([O-])c1ccc(Cl)nc1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001226364584 1034651706 /nfs/dbraw/zinc/65/17/06/1034651706.db2.gz OSFCVYVZEUUMDS-AWEZNQCLSA-N 1 2 363.801 2.923 20 5 FFBDLO C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1cccc(O)c1 ZINC001139431441 1035104564 /nfs/dbraw/zinc/10/45/64/1035104564.db2.gz NZPIGKACNCNFFQ-LBPRGKRZSA-N 1 2 352.350 2.977 20 5 FFBDLO COC(=O)[C@@H]1CCC[C@H](OC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000835336934 1035699182 /nfs/dbraw/zinc/69/91/82/1035699182.db2.gz XOYFGYZYNCOARQ-OCCSQVGLSA-N 1 2 373.365 2.669 20 5 FFBDLO O=c1c2cc(O)ccc2oc2cc(O)cc(O[C@H]3C[NH+]4CCC3CC4)c21 ZINC001234745211 1037162271 /nfs/dbraw/zinc/16/22/71/1037162271.db2.gz SICUHGYMMKBYIA-SFHVURJKSA-N 1 2 353.374 2.830 20 5 FFBDLO O=c1c2cc(O)ccc2oc2cc(O)cc(O[C@@H]3CCc4[nH+]ccn4C3)c12 ZINC001234747042 1037164553 /nfs/dbraw/zinc/16/45/53/1037164553.db2.gz HTVQMAIZJOUULD-CYBMUJFWSA-N 1 2 364.357 2.948 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CC[C@](N)(C(F)(F)F)C2)c1F ZINC001246568199 1039399364 /nfs/dbraw/zinc/39/93/64/1039399364.db2.gz KNKBPIHIVNCVNO-YMTOWFKASA-N 1 2 365.327 2.639 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CC[C@](N)(C(F)(F)F)C2)c1F ZINC001246568199 1039399378 /nfs/dbraw/zinc/39/93/78/1039399378.db2.gz KNKBPIHIVNCVNO-YMTOWFKASA-N 1 2 365.327 2.639 20 5 FFBDLO COc1cccc(C[NH+]2CCN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)c1 ZINC001254602439 1040831768 /nfs/dbraw/zinc/83/17/68/1040831768.db2.gz FWIXHWWSOMZQCJ-HXUWFJFHSA-N 1 2 367.449 2.888 20 5 FFBDLO Cc1c(C(=O)N2CCC(c3c[nH+]cn3C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001537991439 1070314048 /nfs/dbraw/zinc/31/40/48/1070314048.db2.gz CQPWBAAPTJWMRE-UHFFFAOYSA-N 1 2 373.369 2.565 20 5 FFBDLO Cc1cc(F)cc(C(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC001262637823 1041768321 /nfs/dbraw/zinc/76/83/21/1041768321.db2.gz GHHLLHRHHKSCIR-MRXNPFEDSA-N 1 2 361.348 2.968 20 5 FFBDLO Cc1cccc(OCCNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c1 ZINC001264254677 1042659289 /nfs/dbraw/zinc/65/92/89/1042659289.db2.gz YSXKVTPWQYQNLJ-UHFFFAOYSA-N 1 2 366.377 2.898 20 5 FFBDLO COC(=O)c1sccc1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001264256427 1042659976 /nfs/dbraw/zinc/65/99/76/1042659976.db2.gz DHIGCIFKZMIILW-UHFFFAOYSA-N 1 2 372.362 2.881 20 5 FFBDLO Cc1cc(N2CCN(c3c(C)cncc3[N+](=O)[O-])CC2)nc(C(C)C)[nH+]1 ZINC001320575799 1045430927 /nfs/dbraw/zinc/43/09/27/1045430927.db2.gz JUXRYIPZHVQEPL-UHFFFAOYSA-N 1 2 356.430 2.847 20 5 FFBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001324269596 1045948351 /nfs/dbraw/zinc/94/83/51/1045948351.db2.gz OMYBWOCULRLRNK-UHFFFAOYSA-N 1 2 361.423 2.991 20 5 FFBDLO CN(C)c1ccc([NH+]2CCC(NC(=O)CCC(C)(C)[N+](=O)[O-])CC2)cc1 ZINC001330570648 1049210788 /nfs/dbraw/zinc/21/07/88/1049210788.db2.gz FPPHPRNAPFHGMK-UHFFFAOYSA-N 1 2 362.474 2.673 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCO[C@@H](c2ccco2)C1 ZINC001294507389 1049760679 /nfs/dbraw/zinc/76/06/79/1049760679.db2.gz YVYDHFRGARFWIN-QGZVFWFLSA-N 1 2 368.349 2.587 20 5 FFBDLO O=C(N[C@H](CCO)c1ccccc1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001295003014 1049861818 /nfs/dbraw/zinc/86/18/18/1049861818.db2.gz NCRRLECUWRAVMF-MRXNPFEDSA-N 1 2 366.377 2.634 20 5 FFBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001301661085 1050948145 /nfs/dbraw/zinc/94/81/45/1050948145.db2.gz HSAUMVMWAYSNSW-KRWDZBQOSA-N 1 2 359.813 2.964 20 5 FFBDLO COc1cc(C[NH2+]Cc2cccc3c2OCCCO3)c([N+](=O)[O-])cc1O ZINC001308321513 1052446094 /nfs/dbraw/zinc/44/60/94/1052446094.db2.gz BKPHJJLSEBYYLA-UHFFFAOYSA-N 1 2 360.366 2.760 20 5 FFBDLO COc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001350879681 1055981217 /nfs/dbraw/zinc/98/12/17/1055981217.db2.gz CJTPBGDLNSEARR-UHFFFAOYSA-N 1 2 352.350 2.719 20 5 FFBDLO COc1ccc(C[NH2+]Cc2cn(Cc3ccccc3)nn2)cc1[N+](=O)[O-] ZINC001200223671 1056076222 /nfs/dbraw/zinc/07/62/22/1056076222.db2.gz MNDKQIPXTCLYLB-UHFFFAOYSA-N 1 2 353.382 2.533 20 5 FFBDLO O=[N+]([O-])c1ccc(Br)c(C[NH+]2CCC(O)(C(F)F)CC2)c1 ZINC001351332467 1056203137 /nfs/dbraw/zinc/20/31/37/1056203137.db2.gz IFSBYXCXAPNSTF-UHFFFAOYSA-N 1 2 365.174 2.949 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1C[C@@H](F)C[C@H]1C(F)(F)F ZINC001339399478 1056413904 /nfs/dbraw/zinc/41/39/04/1056413904.db2.gz IMDOYRMAZATKNK-GWCFXTLKSA-N 1 2 372.278 2.895 20 5 FFBDLO CN(C)c1[nH+]ccc2cc(NC(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)ccc21 ZINC001449812509 1058940132 /nfs/dbraw/zinc/94/01/32/1058940132.db2.gz DHEJNNJRKJNTPE-QGZVFWFLSA-N 1 2 366.377 2.881 20 5 FFBDLO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001454720718 1059616700 /nfs/dbraw/zinc/61/67/00/1059616700.db2.gz CMYNQUCFXNQCMM-BJMVGYQFSA-N 1 2 367.405 2.658 20 5 FFBDLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)CC2)cc1 ZINC001455222375 1059730315 /nfs/dbraw/zinc/73/03/15/1059730315.db2.gz DUZKENLMALSWIK-UHFFFAOYSA-N 1 2 368.437 2.697 20 5 FFBDLO CC(C)c1[nH]cc(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)[nH+]1 ZINC001456345713 1060098179 /nfs/dbraw/zinc/09/81/79/1060098179.db2.gz QYRWKWZRYRNCOJ-UHFFFAOYSA-N 1 2 354.370 2.557 20 5 FFBDLO CC(C)c1[nH]c(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c[nH+]1 ZINC001456345713 1060098196 /nfs/dbraw/zinc/09/81/96/1060098196.db2.gz QYRWKWZRYRNCOJ-UHFFFAOYSA-N 1 2 354.370 2.557 20 5 FFBDLO Cc1cc(NCCNC(=O)c2cc([N+](=O)[O-])ccc2C)nc(C(C)C)[nH+]1 ZINC000600364978 1060315298 /nfs/dbraw/zinc/31/52/98/1060315298.db2.gz GYTZVMWFORTTTK-UHFFFAOYSA-N 1 2 357.414 2.967 20 5 FFBDLO COc1ccc(C(=O)NCCNc2cc(C)[nH+]c(C(C)C)n2)cc1[N+](=O)[O-] ZINC000600367348 1060317450 /nfs/dbraw/zinc/31/74/50/1060317450.db2.gz SORZZFQUAHBSOY-UHFFFAOYSA-N 1 2 373.413 2.667 20 5 FFBDLO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@@H+]3CCSC[C@H]23)c(Br)c1 ZINC001458594951 1060630531 /nfs/dbraw/zinc/63/05/31/1060630531.db2.gz VTJNIGSXEUNXNU-NWDGAFQWSA-N 1 2 373.276 2.744 20 5 FFBDLO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@H+]3CCSC[C@H]23)c(Br)c1 ZINC001458594951 1060630541 /nfs/dbraw/zinc/63/05/41/1060630541.db2.gz VTJNIGSXEUNXNU-NWDGAFQWSA-N 1 2 373.276 2.744 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@@H+](C)C[C@@H]2CC(C)C)c1C ZINC001475717881 1061229158 /nfs/dbraw/zinc/22/91/58/1061229158.db2.gz ZOVZYENQQHHPLU-HNNXBMFYSA-N 1 2 369.487 2.562 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@H+](C)C[C@@H]2CC(C)C)c1C ZINC001475717881 1061229180 /nfs/dbraw/zinc/22/91/80/1061229180.db2.gz ZOVZYENQQHHPLU-HNNXBMFYSA-N 1 2 369.487 2.562 20 5 FFBDLO O=C(Nc1cccc2[nH+]ccn21)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001360224629 1061918229 /nfs/dbraw/zinc/91/82/29/1061918229.db2.gz IRYHEUKEJYHRAH-UHFFFAOYSA-N 1 2 362.349 2.740 20 5 FFBDLO C[NH+](C)Cc1nc(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])co1 ZINC001472100207 1064933900 /nfs/dbraw/zinc/93/39/00/1064933900.db2.gz VQCFPUVWFNIWGN-UHFFFAOYSA-N 1 2 372.303 2.593 20 5 FFBDLO Cc1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c(N)c1[N+](=O)[O-] ZINC001558675532 1076052239 /nfs/dbraw/zinc/05/22/39/1076052239.db2.gz BOULRQJJEHTARW-UHFFFAOYSA-N 1 2 351.366 2.983 20 5 FFBDLO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC001558838658 1076086956 /nfs/dbraw/zinc/08/69/56/1076086956.db2.gz VGCKWWFPGXAMNS-LBPRGKRZSA-N 1 2 372.429 2.543 20 5 FFBDLO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001560827729 1076302527 /nfs/dbraw/zinc/30/25/27/1076302527.db2.gz XMGGHFMLGZMJTK-ZDUSSCGKSA-N 1 2 362.386 2.837 20 5 FFBDLO CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001560827729 1076302530 /nfs/dbraw/zinc/30/25/30/1076302530.db2.gz XMGGHFMLGZMJTK-ZDUSSCGKSA-N 1 2 362.386 2.837 20 5 FFBDLO O=C(N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)c1ccc([N+](=O)[O-])[nH]1 ZINC001568174646 1077076303 /nfs/dbraw/zinc/07/63/03/1077076303.db2.gz DSKONDSBLFYYDR-LBPRGKRZSA-N 1 2 357.414 2.981 20 5 FFBDLO O=C(N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)c1ccc([N+](=O)[O-])[nH]1 ZINC001568174646 1077076305 /nfs/dbraw/zinc/07/63/05/1077076305.db2.gz DSKONDSBLFYYDR-LBPRGKRZSA-N 1 2 357.414 2.981 20 5 FFBDLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001585868302 1079507611 /nfs/dbraw/zinc/50/76/11/1079507611.db2.gz HKNVQJFKRLFADW-GFCCVEGCSA-N 1 2 355.379 2.790 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCOCc2ccccc21 ZINC001586796834 1079687536 /nfs/dbraw/zinc/68/75/36/1079687536.db2.gz WJWQAXCNSMSTAT-UHFFFAOYSA-N 1 2 364.361 2.958 20 5 FFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+](CCO)Cc2cccnc2)c1 ZINC000093086485 250016098 /nfs/dbraw/zinc/01/60/98/250016098.db2.gz MRFHTVHSDSKGRC-UHFFFAOYSA-N 1 2 353.325 2.586 20 5 FFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+](CCO)Cc2cccnc2)c1 ZINC000093086485 250016101 /nfs/dbraw/zinc/01/61/01/250016101.db2.gz MRFHTVHSDSKGRC-UHFFFAOYSA-N 1 2 353.325 2.586 20 5 FFBDLO CCOc1ccc(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000372991415 512121733 /nfs/dbraw/zinc/12/17/33/512121733.db2.gz FJRYWOPERWZGNG-UHFFFAOYSA-N 1 2 358.398 2.799 20 5 FFBDLO C[C@@H]1CN(c2ccc(CNc3c4c(ccc3[N+](=O)[O-])NCC4)c[nH+]2)CCO1 ZINC000275439896 256006653 /nfs/dbraw/zinc/00/66/53/256006653.db2.gz WKELJYRRQZGXKN-CYBMUJFWSA-N 1 2 369.425 2.795 20 5 FFBDLO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)c1ccsc1 ZINC000276014472 256065885 /nfs/dbraw/zinc/06/58/85/256065885.db2.gz AGYXFKJAEPVKRT-CQSZACIVSA-N 1 2 369.468 2.775 20 5 FFBDLO COC[C@H]1CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](C)O1 ZINC000276070939 256070614 /nfs/dbraw/zinc/07/06/14/256070614.db2.gz SLTVBIGCBJHDCL-CZUORRHYSA-N 1 2 358.398 2.600 20 5 FFBDLO CCOc1cc(CN2CC[NH+](Cc3cc(C)no3)CC2)ccc1[N+](=O)[O-] ZINC000276974468 256148286 /nfs/dbraw/zinc/14/82/86/256148286.db2.gz XJKBLCFKKSNXOX-UHFFFAOYSA-N 1 2 360.414 2.608 20 5 FFBDLO Cc1cc(N2CC[S@@](=O)C[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000277854469 256247348 /nfs/dbraw/zinc/24/73/48/256247348.db2.gz CNPKSNCGLMKGCU-XELLLNAOSA-N 1 2 360.439 2.565 20 5 FFBDLO CCc1ccc([C@@H](CNC(=O)c2cccc(O)c2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000280792113 256568233 /nfs/dbraw/zinc/56/82/33/256568233.db2.gz OZKPSSDLQOUJEQ-MRXNPFEDSA-N 1 2 357.410 2.896 20 5 FFBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H](C(F)(F)F)[C@@H](CO)C3)nc2c1 ZINC000286609212 257045475 /nfs/dbraw/zinc/04/54/75/257045475.db2.gz RMFWOAHTZISPCF-KOLCDFICSA-N 1 2 359.304 2.729 20 5 FFBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@H](C(F)(F)F)[C@@H](CO)C3)nc2c1 ZINC000286609212 257045476 /nfs/dbraw/zinc/04/54/76/257045476.db2.gz RMFWOAHTZISPCF-KOLCDFICSA-N 1 2 359.304 2.729 20 5 FFBDLO Cc1cc[nH+]c(C)c1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000287621281 257099313 /nfs/dbraw/zinc/09/93/13/257099313.db2.gz UENGOEACEBDHCD-UHFFFAOYSA-N 1 2 355.398 2.961 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000287650122 257100706 /nfs/dbraw/zinc/10/07/06/257100706.db2.gz GQCCLKXSOCOQFF-QGZVFWFLSA-N 1 2 370.409 2.528 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000287650122 257100707 /nfs/dbraw/zinc/10/07/07/257100707.db2.gz GQCCLKXSOCOQFF-QGZVFWFLSA-N 1 2 370.409 2.528 20 5 FFBDLO C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCC1(F)F ZINC000291073037 257379123 /nfs/dbraw/zinc/37/91/23/257379123.db2.gz YVTLDFJRUWWFHJ-LLVKDONJSA-N 1 2 350.325 2.898 20 5 FFBDLO C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCC1(F)F ZINC000291073045 257379311 /nfs/dbraw/zinc/37/93/11/257379311.db2.gz YVTLDFJRUWWFHJ-NSHDSACASA-N 1 2 350.325 2.898 20 5 FFBDLO COc1cc(C[NH2+]Cc2snnc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000292826345 257517903 /nfs/dbraw/zinc/51/79/03/257517903.db2.gz QQBFTUVMWHVKOU-UHFFFAOYSA-N 1 2 374.369 2.697 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1N1CC[NH+](CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000301155147 258030128 /nfs/dbraw/zinc/03/01/28/258030128.db2.gz FVCXUGJODQURPD-HOTGVXAUSA-N 1 2 374.485 2.530 20 5 FFBDLO Cc1cccc(N2CC[NH+](CC(=O)N(C)C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000302521999 258104561 /nfs/dbraw/zinc/10/45/61/258104561.db2.gz YCYZSPKZFZSGNS-UHFFFAOYSA-N 1 2 374.485 2.816 20 5 FFBDLO COC(=O)c1cnc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)c([N+](=O)[O-])c1 ZINC000302787371 258110751 /nfs/dbraw/zinc/11/07/51/258110751.db2.gz XAPXKHTUOIRXKJ-UHFFFAOYSA-N 1 2 371.328 2.713 20 5 FFBDLO Cc1nc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)c2c([nH+]1)CCCC2 ZINC000301551769 258055449 /nfs/dbraw/zinc/05/54/49/258055449.db2.gz HITKAGJBKKYDJE-UHFFFAOYSA-N 1 2 353.426 2.899 20 5 FFBDLO CCOc1cc(N2CCN(C3=[NH+]C[C@H](C)S3)CC2)ccc1[N+](=O)[O-] ZINC000301561279 258056019 /nfs/dbraw/zinc/05/60/19/258056019.db2.gz IMRFIQMNJJTILE-LBPRGKRZSA-N 1 2 350.444 2.607 20 5 FFBDLO C[C@@H]1C[NH+]=C(N2CCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)S1 ZINC000301603190 258058163 /nfs/dbraw/zinc/05/81/63/258058163.db2.gz WUXSKRZSTINOJG-GFCCVEGCSA-N 1 2 357.439 2.756 20 5 FFBDLO O=[N+]([O-])c1cnc2ccc(NCc3cc[nH+]c(N4CCCCC4)c3)nn21 ZINC000301832980 258069807 /nfs/dbraw/zinc/06/98/07/258069807.db2.gz JKNNMXKWYZAODZ-UHFFFAOYSA-N 1 2 353.386 2.635 20 5 FFBDLO CC[C@H]1CCCC[N@@H+]1CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000301943814 258077175 /nfs/dbraw/zinc/07/71/75/258077175.db2.gz YSOXZXXZXKVALJ-NSHDSACASA-N 1 2 361.489 2.736 20 5 FFBDLO CC[C@H]1CCCC[N@H+]1CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000301943814 258077177 /nfs/dbraw/zinc/07/71/77/258077177.db2.gz YSOXZXXZXKVALJ-NSHDSACASA-N 1 2 361.489 2.736 20 5 FFBDLO Cc1cc(C)nc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)n1 ZINC000332377365 258227822 /nfs/dbraw/zinc/22/78/22/258227822.db2.gz FFVYTIKENYZJME-UHFFFAOYSA-N 1 2 361.833 2.977 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCN(c4ccccc4)CC3)n2)c1 ZINC000043801648 136121406 /nfs/dbraw/zinc/12/14/06/136121406.db2.gz WMERWGYNYOGTAE-UHFFFAOYSA-N 1 2 365.393 2.967 20 5 FFBDLO Cc1sc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000032467118 506256688 /nfs/dbraw/zinc/25/66/88/506256688.db2.gz SUZHBENKXDZPQR-UHFFFAOYSA-N 1 2 359.451 2.965 20 5 FFBDLO CN(CCOc1ccccc1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032486815 506258514 /nfs/dbraw/zinc/25/85/14/506258514.db2.gz WSCJYLPDYSIKAP-UHFFFAOYSA-N 1 2 366.377 2.932 20 5 FFBDLO Cc1ccccc1CC(=O)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000065738514 506355666 /nfs/dbraw/zinc/35/56/66/506355666.db2.gz NDTPENGYHBAWAC-UHFFFAOYSA-N 1 2 353.422 2.790 20 5 FFBDLO C[C@@H](Sc1nc2ccccc2c2[nH+]c3ccccc3n21)C(=O)NC(N)=O ZINC000004246563 506365961 /nfs/dbraw/zinc/36/59/61/506365961.db2.gz ZVRANLKBWOVWJC-SNVBAGLBSA-N 1 2 365.418 2.711 20 5 FFBDLO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@H](C)O2 ZINC000366814168 512197461 /nfs/dbraw/zinc/19/74/61/512197461.db2.gz YFPPIYYTLOLEJD-IIYDPXPESA-N 1 2 365.386 2.661 20 5 FFBDLO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@H](C)O2 ZINC000366814168 512197466 /nfs/dbraw/zinc/19/74/66/512197466.db2.gz YFPPIYYTLOLEJD-IIYDPXPESA-N 1 2 365.386 2.661 20 5 FFBDLO CCOC(=O)c1cc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc([N+](=O)[O-])c1 ZINC000371171178 512253134 /nfs/dbraw/zinc/25/31/34/512253134.db2.gz TWDVJODILBZEGZ-UHFFFAOYSA-N 1 2 372.381 2.514 20 5 FFBDLO CCOC(=O)c1cc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc([N+](=O)[O-])c1 ZINC000371171178 512253140 /nfs/dbraw/zinc/25/31/40/512253140.db2.gz TWDVJODILBZEGZ-UHFFFAOYSA-N 1 2 372.381 2.514 20 5 FFBDLO CCn1nc(C)c(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1C ZINC000066479238 506532194 /nfs/dbraw/zinc/53/21/94/506532194.db2.gz SNNFPOLDHADREZ-UHFFFAOYSA-N 1 2 368.397 2.544 20 5 FFBDLO Cc1c[nH]c(-c2ccccc2NC(=O)CCn2cc([N+](=O)[O-])nc2C)[nH+]1 ZINC000371253180 512291166 /nfs/dbraw/zinc/29/11/66/512291166.db2.gz HIWDSHFGXHKXQC-UHFFFAOYSA-N 1 2 354.370 2.827 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000043149679 506708783 /nfs/dbraw/zinc/70/87/83/506708783.db2.gz DZRJGDQFMUQDGI-UHFFFAOYSA-N 1 2 355.398 2.648 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000010656455 506750004 /nfs/dbraw/zinc/75/00/04/506750004.db2.gz PQLMUAZVIIFNRT-GOSISDBHSA-N 1 2 368.368 2.916 20 5 FFBDLO COc1ccccc1[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1[nH+]ccn1C ZINC000044381115 506841198 /nfs/dbraw/zinc/84/11/98/506841198.db2.gz JYVJSBCPYNKUMP-OAHLLOKOSA-N 1 2 372.406 2.918 20 5 FFBDLO Cc1sc(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000045142007 506924155 /nfs/dbraw/zinc/92/41/55/506924155.db2.gz URHOKGCZAQSHPB-QWRGUYRKSA-N 1 2 355.460 2.582 20 5 FFBDLO O=C(NCc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cccs2)CC1 ZINC000045625462 506994280 /nfs/dbraw/zinc/99/42/80/506994280.db2.gz XUCIWRCOIUCUEQ-UHFFFAOYSA-N 1 2 360.439 2.684 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)CCOc1ccccc1F ZINC000015045904 507014059 /nfs/dbraw/zinc/01/40/59/507014059.db2.gz CFRLCYBIWWJBEU-UHFFFAOYSA-N 1 2 361.373 2.992 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)CCOc1ccccc1F ZINC000015045904 507014066 /nfs/dbraw/zinc/01/40/66/507014066.db2.gz CFRLCYBIWWJBEU-UHFFFAOYSA-N 1 2 361.373 2.992 20 5 FFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000015106115 507019515 /nfs/dbraw/zinc/01/95/15/507019515.db2.gz JUEZTVXDIFCGOM-AWEZNQCLSA-N 1 2 374.466 2.801 20 5 FFBDLO CCOC(=O)C1CC[NH+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000015487463 507042412 /nfs/dbraw/zinc/04/24/12/507042412.db2.gz FMTOLBBSXOHKGF-GFCCVEGCSA-N 1 2 374.397 2.981 20 5 FFBDLO COc1cccc(CNC(=O)[C@H](C)[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000046599526 507156959 /nfs/dbraw/zinc/15/69/59/507156959.db2.gz LQSWTIWOZOPXBE-AWEZNQCLSA-N 1 2 357.410 2.740 20 5 FFBDLO COc1cccc(CNC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000046599526 507156967 /nfs/dbraw/zinc/15/69/67/507156967.db2.gz LQSWTIWOZOPXBE-AWEZNQCLSA-N 1 2 357.410 2.740 20 5 FFBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCC[NH+]1Cc2ccccc2C1 ZINC000068252430 507161104 /nfs/dbraw/zinc/16/11/04/507161104.db2.gz COOFMZYGORTUBJ-UHFFFAOYSA-N 1 2 364.405 2.682 20 5 FFBDLO Cc1[nH+]c2ccccc2n1CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000060950024 507587783 /nfs/dbraw/zinc/58/77/83/507587783.db2.gz ZEOHQWWRPACTKT-UHFFFAOYSA-N 1 2 374.422 2.622 20 5 FFBDLO COCC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccco1 ZINC000026448600 507590474 /nfs/dbraw/zinc/59/04/74/507590474.db2.gz PKTARXZOUKVHHI-UHFFFAOYSA-N 1 2 367.789 2.928 20 5 FFBDLO COCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccco1 ZINC000026448600 507590478 /nfs/dbraw/zinc/59/04/78/507590478.db2.gz PKTARXZOUKVHHI-UHFFFAOYSA-N 1 2 367.789 2.928 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1ccc(Cl)cc1 ZINC000026868300 507615173 /nfs/dbraw/zinc/61/51/73/507615173.db2.gz NXPYUZYHCIWUEC-HNNXBMFYSA-N 1 2 373.800 2.840 20 5 FFBDLO CCOC(=O)CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)(C)C ZINC000410724317 512350806 /nfs/dbraw/zinc/35/08/06/512350806.db2.gz KHSGAGNVMWMGDH-UHFFFAOYSA-N 1 2 374.397 2.584 20 5 FFBDLO CCN(CC)c1ccc(CNC(=O)CCOc2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000062262076 507662815 /nfs/dbraw/zinc/66/28/15/507662815.db2.gz ZXUWDLCDSHUVMX-UHFFFAOYSA-N 1 2 372.425 2.921 20 5 FFBDLO O=C(NCc1cccc([N+](=O)[O-])c1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000063069745 507691440 /nfs/dbraw/zinc/69/14/40/507691440.db2.gz QTUXBWISGJYREF-UHFFFAOYSA-N 1 2 355.398 2.589 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000028982900 507752829 /nfs/dbraw/zinc/75/28/29/507752829.db2.gz QWCUTRCEYCMQIL-GOSISDBHSA-N 1 2 366.377 2.613 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000030541900 507810137 /nfs/dbraw/zinc/81/01/37/507810137.db2.gz LFFPZWWRDAEPRE-UHFFFAOYSA-N 1 2 361.423 2.623 20 5 FFBDLO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000031765727 507821632 /nfs/dbraw/zinc/82/16/32/507821632.db2.gz JOELNHQFROJSCB-UHFFFAOYSA-N 1 2 369.421 2.957 20 5 FFBDLO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000031765727 507821633 /nfs/dbraw/zinc/82/16/33/507821633.db2.gz JOELNHQFROJSCB-UHFFFAOYSA-N 1 2 369.421 2.957 20 5 FFBDLO O=C(NCCc1ccc(F)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000031816994 507821871 /nfs/dbraw/zinc/82/18/71/507821871.db2.gz GMWUZBGATGXFQQ-UHFFFAOYSA-N 1 2 354.341 2.892 20 5 FFBDLO O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000072650771 507837763 /nfs/dbraw/zinc/83/77/63/507837763.db2.gz IALJODBWIRFXEA-UHFFFAOYSA-N 1 2 355.394 2.608 20 5 FFBDLO O=C(Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000089486819 507843146 /nfs/dbraw/zinc/84/31/46/507843146.db2.gz AJVRZVRUZAGWRH-UHFFFAOYSA-N 1 2 353.338 2.679 20 5 FFBDLO O=C1NCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000072800254 507855012 /nfs/dbraw/zinc/85/50/12/507855012.db2.gz LOTCQBINCORCSV-INIZCTEOSA-N 1 2 361.423 2.598 20 5 FFBDLO O=C1NCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000072800254 507855014 /nfs/dbraw/zinc/85/50/14/507855014.db2.gz LOTCQBINCORCSV-INIZCTEOSA-N 1 2 361.423 2.598 20 5 FFBDLO CCn1cc(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000072983107 507880843 /nfs/dbraw/zinc/88/08/43/507880843.db2.gz AOXIIBJQCDJSSF-UHFFFAOYSA-N 1 2 351.794 2.535 20 5 FFBDLO CCn1cc(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000072983107 507880844 /nfs/dbraw/zinc/88/08/44/507880844.db2.gz AOXIIBJQCDJSSF-UHFFFAOYSA-N 1 2 351.794 2.535 20 5 FFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCCC2(C1)OCCO2 ZINC000090561751 507928107 /nfs/dbraw/zinc/92/81/07/507928107.db2.gz ZXCWIFJKUBRYCC-LBPRGKRZSA-N 1 2 360.370 2.545 20 5 FFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCCC2(C1)OCCO2 ZINC000090561751 507928109 /nfs/dbraw/zinc/92/81/09/507928109.db2.gz ZXCWIFJKUBRYCC-LBPRGKRZSA-N 1 2 360.370 2.545 20 5 FFBDLO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000074325641 508012640 /nfs/dbraw/zinc/01/26/40/508012640.db2.gz MXQUCLVEBRXGPO-CRAIPNDOSA-N 1 2 355.394 2.650 20 5 FFBDLO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000074325641 508012642 /nfs/dbraw/zinc/01/26/42/508012642.db2.gz MXQUCLVEBRXGPO-CRAIPNDOSA-N 1 2 355.394 2.650 20 5 FFBDLO Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(O)cc3)CC2)cc1[N+](=O)[O-] ZINC000091815237 508015467 /nfs/dbraw/zinc/01/54/67/508015467.db2.gz WCUHQVHJARMMBA-UHFFFAOYSA-N 1 2 355.394 2.567 20 5 FFBDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H](C)O1 ZINC000092013523 508033105 /nfs/dbraw/zinc/03/31/05/508033105.db2.gz UFCBFKANSDYHAE-PXAZEXFGSA-N 1 2 360.366 2.617 20 5 FFBDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H](C)O1 ZINC000092013523 508033109 /nfs/dbraw/zinc/03/31/09/508033109.db2.gz UFCBFKANSDYHAE-PXAZEXFGSA-N 1 2 360.366 2.617 20 5 FFBDLO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075533755 508114772 /nfs/dbraw/zinc/11/47/72/508114772.db2.gz XFZOYPHWYXPHBG-CYBMUJFWSA-N 1 2 366.381 2.523 20 5 FFBDLO Cc1nc(CN2CC[NH+](Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)no1 ZINC000093274138 508132970 /nfs/dbraw/zinc/13/29/70/508132970.db2.gz FGSONJXSNAWXMT-UHFFFAOYSA-N 1 2 359.430 2.727 20 5 FFBDLO Cc1c(C[N@@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000076049773 508153082 /nfs/dbraw/zinc/15/30/82/508153082.db2.gz FCQGQHWIRWZWRH-QGZVFWFLSA-N 1 2 361.442 2.507 20 5 FFBDLO Cc1c(C[N@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000076049773 508153084 /nfs/dbraw/zinc/15/30/84/508153084.db2.gz FCQGQHWIRWZWRH-QGZVFWFLSA-N 1 2 361.442 2.507 20 5 FFBDLO CCc1nn(C)c(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)c1[N+](=O)[O-] ZINC000094136630 508170877 /nfs/dbraw/zinc/17/08/77/508170877.db2.gz DTEFAYGPRDXGAJ-STQMWFEESA-N 1 2 374.445 2.511 20 5 FFBDLO CCc1nn(C)c(NC[C@H](c2c(F)cccc2F)[NH+](C)C)c1[N+](=O)[O-] ZINC000094159892 508170989 /nfs/dbraw/zinc/17/09/89/508170989.db2.gz DBSWZNWUUCWYME-CYBMUJFWSA-N 1 2 353.373 2.884 20 5 FFBDLO COc1ccc(OC)c(C[NH+]2CCN(c3ncc([N+](=O)[O-])cc3C)CC2)c1 ZINC000076665296 508239443 /nfs/dbraw/zinc/23/94/43/508239443.db2.gz LFSTZXVYUOJDSE-UHFFFAOYSA-N 1 2 372.425 2.638 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](OCCC(C)C)C2)c([N+](=O)[O-])c1 ZINC000083248030 508243336 /nfs/dbraw/zinc/24/33/36/508243336.db2.gz ITGFJATYPBYWGP-OAHLLOKOSA-N 1 2 365.430 2.679 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](OCCC(C)C)C2)c([N+](=O)[O-])c1 ZINC000083248030 508243339 /nfs/dbraw/zinc/24/33/39/508243339.db2.gz ITGFJATYPBYWGP-OAHLLOKOSA-N 1 2 365.430 2.679 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCSC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000083416719 508244995 /nfs/dbraw/zinc/24/49/95/508244995.db2.gz XFMQGINQJZCRFY-LLVKDONJSA-N 1 2 353.444 2.758 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCSC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000083416719 508244998 /nfs/dbraw/zinc/24/49/98/508244998.db2.gz XFMQGINQJZCRFY-LLVKDONJSA-N 1 2 353.444 2.758 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+](CCO)Cc3ccccc3)n2)cc1 ZINC000103140439 508298352 /nfs/dbraw/zinc/29/83/52/508298352.db2.gz APBQWCAWWDTWTD-UHFFFAOYSA-N 1 2 354.366 2.639 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+](CCO)Cc3ccccc3)n2)cc1 ZINC000103140439 508298354 /nfs/dbraw/zinc/29/83/54/508298354.db2.gz APBQWCAWWDTWTD-UHFFFAOYSA-N 1 2 354.366 2.639 20 5 FFBDLO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCc3[nH]cc[nH+]3)cc2[N+](=O)[O-])C1 ZINC000114337795 508305397 /nfs/dbraw/zinc/30/53/97/508305397.db2.gz BBOJRWDXRCMOPS-STQMWFEESA-N 1 2 357.414 2.730 20 5 FFBDLO COC(=O)c1sccc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000088523136 508374517 /nfs/dbraw/zinc/37/45/17/508374517.db2.gz ZWSMPILJIYUSJH-GFCCVEGCSA-N 1 2 362.411 2.524 20 5 FFBDLO COC(=O)c1sccc1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000088523136 508374521 /nfs/dbraw/zinc/37/45/21/508374521.db2.gz ZWSMPILJIYUSJH-GFCCVEGCSA-N 1 2 362.411 2.524 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000152336770 508426700 /nfs/dbraw/zinc/42/67/00/508426700.db2.gz ZPBSVJJPEFUXFD-KRWDZBQOSA-N 1 2 369.421 2.534 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000152336770 508426704 /nfs/dbraw/zinc/42/67/04/508426704.db2.gz ZPBSVJJPEFUXFD-KRWDZBQOSA-N 1 2 369.421 2.534 20 5 FFBDLO CC1(C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H]2CCCO[C@H]21 ZINC000369405693 512395541 /nfs/dbraw/zinc/39/55/41/512395541.db2.gz DCCUTMHLOFHHSZ-IAOVAPTHSA-N 1 2 370.409 2.714 20 5 FFBDLO Cc1cc(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)cc([N+](=O)[O-])c1 ZINC000122155922 508490128 /nfs/dbraw/zinc/49/01/28/508490128.db2.gz ZYRMWHVKWMDAGR-UHFFFAOYSA-N 1 2 368.437 2.903 20 5 FFBDLO Cc1cc(C[NH+]2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)on1 ZINC000116271293 508494236 /nfs/dbraw/zinc/49/42/36/508494236.db2.gz LLJYWAMTRUGUGJ-UHFFFAOYSA-N 1 2 350.806 2.862 20 5 FFBDLO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000122366463 508523576 /nfs/dbraw/zinc/52/35/76/508523576.db2.gz OUUVYOYCHYBSEJ-BRWVUGGUSA-N 1 2 374.485 2.895 20 5 FFBDLO O=[N+]([O-])c1cccc(OC[C@H](O)COc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000153302247 508569879 /nfs/dbraw/zinc/56/98/79/508569879.db2.gz ZHYWXCVRSNJKEV-MRXNPFEDSA-N 1 2 355.350 2.599 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000123005467 508621068 /nfs/dbraw/zinc/62/10/68/508621068.db2.gz RLNBOZWMUQBOQF-SWLSCSKDSA-N 1 2 359.386 2.915 20 5 FFBDLO CC[N@@H+](CC(=O)Nc1ccccc1OC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153701590 508630077 /nfs/dbraw/zinc/63/00/77/508630077.db2.gz RYMBCJBHEZETCQ-KRWDZBQOSA-N 1 2 373.409 2.597 20 5 FFBDLO CC[N@H+](CC(=O)Nc1ccccc1OC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153701590 508630079 /nfs/dbraw/zinc/63/00/79/508630079.db2.gz RYMBCJBHEZETCQ-KRWDZBQOSA-N 1 2 373.409 2.597 20 5 FFBDLO CCc1cccc(NC(=O)C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000118866125 508687738 /nfs/dbraw/zinc/68/77/38/508687738.db2.gz YQFIVJXCZIVJMF-MRXNPFEDSA-N 1 2 369.425 2.677 20 5 FFBDLO CCc1cccc(NC(=O)C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000118866125 508687740 /nfs/dbraw/zinc/68/77/40/508687740.db2.gz YQFIVJXCZIVJMF-MRXNPFEDSA-N 1 2 369.425 2.677 20 5 FFBDLO Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1C ZINC000118866099 508687990 /nfs/dbraw/zinc/68/79/90/508687990.db2.gz YCJOCFHZQLWYTD-HNNXBMFYSA-N 1 2 369.425 2.732 20 5 FFBDLO Cc1cccc(NC(=O)C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1C ZINC000118866099 508687992 /nfs/dbraw/zinc/68/79/92/508687992.db2.gz YCJOCFHZQLWYTD-HNNXBMFYSA-N 1 2 369.425 2.732 20 5 FFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+](CCO)CCOCC(F)(F)F ZINC000119112508 508727965 /nfs/dbraw/zinc/72/79/65/508727965.db2.gz IYYOKFMTJRWZSZ-UHFFFAOYSA-N 1 2 356.728 2.621 20 5 FFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+](CCO)CCOCC(F)(F)F ZINC000119112508 508727968 /nfs/dbraw/zinc/72/79/68/508727968.db2.gz IYYOKFMTJRWZSZ-UHFFFAOYSA-N 1 2 356.728 2.621 20 5 FFBDLO CN(c1nc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cs1)C1CC1 ZINC000137512130 508759514 /nfs/dbraw/zinc/75/95/14/508759514.db2.gz PMOLTOGPIOWAOK-LBPRGKRZSA-N 1 2 374.470 2.731 20 5 FFBDLO CN(c1nc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cs1)C1CC1 ZINC000137512130 508759517 /nfs/dbraw/zinc/75/95/17/508759517.db2.gz PMOLTOGPIOWAOK-LBPRGKRZSA-N 1 2 374.470 2.731 20 5 FFBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000159050127 508786019 /nfs/dbraw/zinc/78/60/19/508786019.db2.gz CLVGRYKENDTFGY-UHFFFAOYSA-N 1 2 367.409 2.795 20 5 FFBDLO CNc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1[N+](=O)[O-] ZINC000143378812 508830347 /nfs/dbraw/zinc/83/03/47/508830347.db2.gz ZQGOTKILNAEYSF-UHFFFAOYSA-N 1 2 369.356 2.891 20 5 FFBDLO CCc1ccc(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000120091350 508926172 /nfs/dbraw/zinc/92/61/72/508926172.db2.gz BJFYXDYTJOHMJI-AWEZNQCLSA-N 1 2 356.426 2.986 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000367288745 512426798 /nfs/dbraw/zinc/42/67/98/512426798.db2.gz XHKZKKNZIPUQNG-LBPRGKRZSA-N 1 2 351.366 2.506 20 5 FFBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000120158832 508940800 /nfs/dbraw/zinc/94/08/00/508940800.db2.gz PHWQXHMXMURKPD-HNNXBMFYSA-N 1 2 371.441 2.612 20 5 FFBDLO Cn1cc(Cl)cc1C[N@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000120181766 508944576 /nfs/dbraw/zinc/94/45/76/508944576.db2.gz RSTJIAAXQKUHOZ-INIZCTEOSA-N 1 2 362.817 2.824 20 5 FFBDLO Cn1cc(Cl)cc1C[N@@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000120181766 508944578 /nfs/dbraw/zinc/94/45/78/508944578.db2.gz RSTJIAAXQKUHOZ-INIZCTEOSA-N 1 2 362.817 2.824 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155294893 508969835 /nfs/dbraw/zinc/96/98/35/508969835.db2.gz HNIUZZWEFABONW-UHFFFAOYSA-N 1 2 358.320 2.988 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155294893 508969837 /nfs/dbraw/zinc/96/98/37/508969837.db2.gz HNIUZZWEFABONW-UHFFFAOYSA-N 1 2 358.320 2.988 20 5 FFBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000155637288 509042507 /nfs/dbraw/zinc/04/25/07/509042507.db2.gz SRTHIKQNVPPTHZ-UHFFFAOYSA-N 1 2 360.345 2.526 20 5 FFBDLO CC(C)OCC[NH+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000266802972 509201708 /nfs/dbraw/zinc/20/17/08/509201708.db2.gz JUJYMGDLDOHDIO-UHFFFAOYSA-N 1 2 361.398 2.524 20 5 FFBDLO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000163248811 509355719 /nfs/dbraw/zinc/35/57/19/509355719.db2.gz VFNISEXKNDNOTG-UHFFFAOYSA-N 1 2 366.381 2.780 20 5 FFBDLO Cc1cc(Br)c2c(c1)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000189233010 509474029 /nfs/dbraw/zinc/47/40/29/509474029.db2.gz NDUBGXUTPOZDEB-UHFFFAOYSA-N 1 2 365.231 2.921 20 5 FFBDLO Cc1cc(Br)c2c(c1)C[N@H+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000189233010 509474036 /nfs/dbraw/zinc/47/40/36/509474036.db2.gz NDUBGXUTPOZDEB-UHFFFAOYSA-N 1 2 365.231 2.921 20 5 FFBDLO CN(CCCn1cc[nH+]c1)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000186014437 509480578 /nfs/dbraw/zinc/48/05/78/509480578.db2.gz JWQWBPCNGFHFQO-UHFFFAOYSA-N 1 2 351.794 2.676 20 5 FFBDLO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000179516511 509491961 /nfs/dbraw/zinc/49/19/61/509491961.db2.gz UDJAWMASQBRASA-UHFFFAOYSA-N 1 2 354.370 2.657 20 5 FFBDLO Cc1ccc([C@H](C)NC(=O)NCc2ccc(N(C)C)[nH+]c2)cc1[N+](=O)[O-] ZINC000267677260 509593939 /nfs/dbraw/zinc/59/39/39/509593939.db2.gz FYXFWWQCYNYCBS-ZDUSSCGKSA-N 1 2 357.414 2.925 20 5 FFBDLO COc1cc(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc([N+](=O)[O-])c1C ZINC000189494106 509603400 /nfs/dbraw/zinc/60/34/00/509603400.db2.gz BOACQNBUDPTBMV-AWEZNQCLSA-N 1 2 372.425 2.740 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000249306662 509654229 /nfs/dbraw/zinc/65/42/29/509654229.db2.gz JPPZCPDFSIKDHN-BBRMVZONSA-N 1 2 371.393 2.694 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000249306662 509654236 /nfs/dbraw/zinc/65/42/36/509654236.db2.gz JPPZCPDFSIKDHN-BBRMVZONSA-N 1 2 371.393 2.694 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1ncc(Cl)n1C ZINC000183257027 509683238 /nfs/dbraw/zinc/68/32/38/509683238.db2.gz DOWLTHFSWHNHTE-UHFFFAOYSA-N 1 2 365.821 2.751 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1ncc(Cl)n1C ZINC000183257027 509683242 /nfs/dbraw/zinc/68/32/42/509683242.db2.gz DOWLTHFSWHNHTE-UHFFFAOYSA-N 1 2 365.821 2.751 20 5 FFBDLO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1nccn1C(F)F ZINC000173683987 509718940 /nfs/dbraw/zinc/71/89/40/509718940.db2.gz OMAODYFSXDVDCW-UHFFFAOYSA-N 1 2 353.329 2.647 20 5 FFBDLO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1nccn1C(F)F ZINC000173683987 509718952 /nfs/dbraw/zinc/71/89/52/509718952.db2.gz OMAODYFSXDVDCW-UHFFFAOYSA-N 1 2 353.329 2.647 20 5 FFBDLO CS(=O)(=O)CC[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000180091740 509746917 /nfs/dbraw/zinc/74/69/17/509746917.db2.gz FUDOQIQAPNSCBM-UHFFFAOYSA-N 1 2 364.423 2.864 20 5 FFBDLO CS(=O)(=O)CC[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000180091740 509746923 /nfs/dbraw/zinc/74/69/23/509746923.db2.gz FUDOQIQAPNSCBM-UHFFFAOYSA-N 1 2 364.423 2.864 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186603014 509796696 /nfs/dbraw/zinc/79/66/96/509796696.db2.gz DJMZZYITJABXPU-HXUWFJFHSA-N 1 2 367.405 2.973 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186603014 509796705 /nfs/dbraw/zinc/79/67/05/509796705.db2.gz DJMZZYITJABXPU-HXUWFJFHSA-N 1 2 367.405 2.973 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186620630 509806255 /nfs/dbraw/zinc/80/62/55/509806255.db2.gz OQRMCDPFZWTMHA-FQEVSTJZSA-N 1 2 367.405 2.973 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186620630 509806259 /nfs/dbraw/zinc/80/62/59/509806259.db2.gz OQRMCDPFZWTMHA-FQEVSTJZSA-N 1 2 367.405 2.973 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000193353655 509878050 /nfs/dbraw/zinc/87/80/50/509878050.db2.gz SUVDUKDDRVONEM-UHFFFAOYSA-N 1 2 368.353 2.506 20 5 FFBDLO Cc1ccnc(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000265157608 509894383 /nfs/dbraw/zinc/89/43/83/509894383.db2.gz CWATZOUIYNDJQL-UHFFFAOYSA-N 1 2 369.425 2.813 20 5 FFBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000255397039 509923835 /nfs/dbraw/zinc/92/38/35/509923835.db2.gz ATADOFZYQVZVTC-UITAMQMPSA-N 1 2 365.433 2.995 20 5 FFBDLO COc1cccc2c1CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000193728762 510039404 /nfs/dbraw/zinc/03/94/04/510039404.db2.gz JQAKFKSDTCZFHM-UHFFFAOYSA-N 1 2 355.394 2.643 20 5 FFBDLO COc1cccc2c1CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000193728762 510039410 /nfs/dbraw/zinc/03/94/10/510039410.db2.gz JQAKFKSDTCZFHM-UHFFFAOYSA-N 1 2 355.394 2.643 20 5 FFBDLO O=[N+]([O-])c1cnc(N2CCN(Cc3cn4ccccc4[nH+]3)CC2)c(Cl)c1 ZINC000265565812 510117446 /nfs/dbraw/zinc/11/74/46/510117446.db2.gz UCRBSPAULVVTEH-UHFFFAOYSA-N 1 2 372.816 2.613 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@H]3[C@@H](O)C(F)(F)F)o2)cc1 ZINC000265582207 510126891 /nfs/dbraw/zinc/12/68/91/510126891.db2.gz YLZAEENSLSGKTR-WCQYABFASA-N 1 2 372.303 2.532 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3[C@@H](O)C(F)(F)F)o2)cc1 ZINC000265582207 510126896 /nfs/dbraw/zinc/12/68/96/510126896.db2.gz YLZAEENSLSGKTR-WCQYABFASA-N 1 2 372.303 2.532 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1nc(C)cs1 ZINC000184183515 510180055 /nfs/dbraw/zinc/18/00/55/510180055.db2.gz JHKUMWBTDJOIJY-JTQLQIEISA-N 1 2 350.400 2.658 20 5 FFBDLO CC(C)(C(=O)N1CC[NH+](Cc2cccnc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000265792305 510231637 /nfs/dbraw/zinc/23/16/37/510231637.db2.gz LVKWTZSTWRQQNJ-UHFFFAOYSA-N 1 2 368.437 2.612 20 5 FFBDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000181036541 510250188 /nfs/dbraw/zinc/25/01/88/510250188.db2.gz LHUMIUJGPMWWSM-CYBMUJFWSA-N 1 2 372.400 2.835 20 5 FFBDLO CCc1ccc(C[NH+]2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])CC2)s1 ZINC000181107931 510277638 /nfs/dbraw/zinc/27/76/38/510277638.db2.gz OYWZCCIBSNWHFN-UHFFFAOYSA-N 1 2 374.466 2.759 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000184527915 510373034 /nfs/dbraw/zinc/37/30/34/510373034.db2.gz JQEJDETUIYIPPS-UHFFFAOYSA-N 1 2 369.421 2.665 20 5 FFBDLO CC(C)c1[nH]nc(C(=O)Nc2ccccc2C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000269428918 510402245 /nfs/dbraw/zinc/40/22/45/510402245.db2.gz ZERYCIRUGYTCJZ-UHFFFAOYSA-N 1 2 373.413 2.526 20 5 FFBDLO CCc1nc([C@H](C)[NH2+]CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cs1 ZINC000184678350 510455787 /nfs/dbraw/zinc/45/57/87/510455787.db2.gz BMQFDZZYEJQMTP-JTQLQIEISA-N 1 2 364.427 2.912 20 5 FFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)c2c(c1)COCO2 ZINC000181560214 510472390 /nfs/dbraw/zinc/47/23/90/510472390.db2.gz ACBLNDBRQFCPHW-LJQANCHMSA-N 1 2 370.405 2.905 20 5 FFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCO[C@H](Cc3ccccc3)C2)c2c(c1)COCO2 ZINC000181560214 510472398 /nfs/dbraw/zinc/47/23/98/510472398.db2.gz ACBLNDBRQFCPHW-LJQANCHMSA-N 1 2 370.405 2.905 20 5 FFBDLO Cc1ccc([C@@H](C)[NH2+]Cc2csc(CS(C)(=O)=O)n2)cc1[N+](=O)[O-] ZINC000181813541 510608013 /nfs/dbraw/zinc/60/80/13/510608013.db2.gz ZCCFSPPQDQGIQY-LLVKDONJSA-N 1 2 369.468 2.755 20 5 FFBDLO C[C@@H]([NH2+][C@H](C)c1nc(C(C)(C)C)no1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000185161444 510719880 /nfs/dbraw/zinc/71/98/80/510719880.db2.gz DDLZTVNRKHSVBY-GHMZBOCLSA-N 1 2 361.402 2.953 20 5 FFBDLO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H](CN1CCOCC1)c1ccccc1 ZINC000182164872 510790524 /nfs/dbraw/zinc/79/05/24/510790524.db2.gz OBCGEHKOZFMTLK-SFHVURJKSA-N 1 2 359.401 2.897 20 5 FFBDLO Cc1nn(C)c(C(=O)Nc2ccc3[nH+]c(N(C)C)ccc3c2)c1[N+](=O)[O-] ZINC000195354928 510799278 /nfs/dbraw/zinc/79/92/78/510799278.db2.gz FMHKVPJCXUIOLL-UHFFFAOYSA-N 1 2 354.370 2.503 20 5 FFBDLO C[NH+]1CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 ZINC000275415732 510900316 /nfs/dbraw/zinc/90/03/16/510900316.db2.gz CXENFVCMQUYQBZ-UHFFFAOYSA-N 1 2 357.360 2.759 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NCc1ncnn1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000282438100 510977966 /nfs/dbraw/zinc/97/79/66/510977966.db2.gz FQZMKYREUQIRAU-MRXNPFEDSA-N 1 2 369.429 2.554 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000361305610 511030937 /nfs/dbraw/zinc/03/09/37/511030937.db2.gz ZMRGFFIJIDKIII-SNVBAGLBSA-N 1 2 370.818 2.540 20 5 FFBDLO CCc1cc(NCCCc2nncn2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000294524990 511092248 /nfs/dbraw/zinc/09/22/48/511092248.db2.gz UYCHQPOYKCZKJW-UHFFFAOYSA-N 1 2 367.413 2.787 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000364854048 511116146 /nfs/dbraw/zinc/11/61/46/511116146.db2.gz MZMNGJUEAQRHJU-SFHVURJKSA-N 1 2 368.368 2.916 20 5 FFBDLO Cc1ccc([C@H]2COCC[N@@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000283255339 511296811 /nfs/dbraw/zinc/29/68/11/511296811.db2.gz KFHJWOORNJVXBD-MRXNPFEDSA-N 1 2 359.382 2.898 20 5 FFBDLO Cc1ccc([C@H]2COCC[N@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000283255339 511296818 /nfs/dbraw/zinc/29/68/18/511296818.db2.gz KFHJWOORNJVXBD-MRXNPFEDSA-N 1 2 359.382 2.898 20 5 FFBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000295177955 511310799 /nfs/dbraw/zinc/31/07/99/511310799.db2.gz VHJIVUCQSKTJCL-ZDUSSCGKSA-N 1 2 373.837 2.566 20 5 FFBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000295177955 511310803 /nfs/dbraw/zinc/31/08/03/511310803.db2.gz VHJIVUCQSKTJCL-ZDUSSCGKSA-N 1 2 373.837 2.566 20 5 FFBDLO CN(C)C(=O)O[C@@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000295444981 511408451 /nfs/dbraw/zinc/40/84/51/511408451.db2.gz DTWNROIRFMJISQ-MRXNPFEDSA-N 1 2 374.397 2.912 20 5 FFBDLO CN(C)C(=O)O[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000295444981 511408455 /nfs/dbraw/zinc/40/84/55/511408455.db2.gz DTWNROIRFMJISQ-MRXNPFEDSA-N 1 2 374.397 2.912 20 5 FFBDLO C[C@@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@H](C)[NH+]1CCOCC1 ZINC000334003998 511421078 /nfs/dbraw/zinc/42/10/78/511421078.db2.gz VDECLXOLGJZOKF-KGLIPLIRSA-N 1 2 363.458 2.731 20 5 FFBDLO C[C@H](O)CNc1cc(NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nc[nH+]1 ZINC000298829458 511424480 /nfs/dbraw/zinc/42/44/80/511424480.db2.gz HKYOTSDPYGKOFZ-VIFPVBQESA-N 1 2 371.319 2.808 20 5 FFBDLO C[C@H](O)CNc1cc(NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[nH+]cn1 ZINC000298829458 511424485 /nfs/dbraw/zinc/42/44/85/511424485.db2.gz HKYOTSDPYGKOFZ-VIFPVBQESA-N 1 2 371.319 2.808 20 5 FFBDLO O=C(NCc1ccc(-n2cc[nH+]c2)nc1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000363347969 511495940 /nfs/dbraw/zinc/49/59/40/511495940.db2.gz BSLAIOGUMNPMPM-UHFFFAOYSA-N 1 2 357.757 2.759 20 5 FFBDLO CNC(=O)c1ccc(NCc2cc[nH+]c(N3CCCCC3)c2)c([N+](=O)[O-])c1 ZINC000299101062 511516198 /nfs/dbraw/zinc/51/61/98/511516198.db2.gz ZHFZPKHVTOELHC-UHFFFAOYSA-N 1 2 369.425 2.952 20 5 FFBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](CC2=Cc3ccccc3OC2)CC1 ZINC000296176622 511644724 /nfs/dbraw/zinc/64/47/24/511644724.db2.gz ZHFZEJWUDDFVLZ-UHFFFAOYSA-N 1 2 352.394 2.588 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000284618465 511795295 /nfs/dbraw/zinc/79/52/95/511795295.db2.gz AWFAWIMBKDYJMP-KURKYZTESA-N 1 2 364.442 2.744 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000284618465 511795300 /nfs/dbraw/zinc/79/53/00/511795300.db2.gz AWFAWIMBKDYJMP-KURKYZTESA-N 1 2 364.442 2.744 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@@H](CO)CC1 ZINC000293121607 511847844 /nfs/dbraw/zinc/84/78/44/511847844.db2.gz MINSXAMCCZVMFB-VXGBXAGGSA-N 1 2 355.822 2.670 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@H](CO)CC1 ZINC000293121607 511847850 /nfs/dbraw/zinc/84/78/50/511847850.db2.gz MINSXAMCCZVMFB-VXGBXAGGSA-N 1 2 355.822 2.670 20 5 FFBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000366126316 511855275 /nfs/dbraw/zinc/85/52/75/511855275.db2.gz CYRXTGBNCKSQEU-AWEZNQCLSA-N 1 2 357.414 2.795 20 5 FFBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000366126316 511855278 /nfs/dbraw/zinc/85/52/78/511855278.db2.gz CYRXTGBNCKSQEU-AWEZNQCLSA-N 1 2 357.414 2.795 20 5 FFBDLO Cn1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(C(F)F)n1 ZINC000274595691 511883297 /nfs/dbraw/zinc/88/32/97/511883297.db2.gz PYVXBWPQOIZCOJ-UHFFFAOYSA-N 1 2 351.357 2.588 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000284821880 511884885 /nfs/dbraw/zinc/88/48/85/511884885.db2.gz AQBKKXTXJCOFRH-IPLHWJFFSA-N 1 2 370.409 2.626 20 5 FFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN(C)[C@@H](c2nc(C3CC3)no2)C1 ZINC000285033363 511976424 /nfs/dbraw/zinc/97/64/24/511976424.db2.gz VQXBUZGTGSVKIP-MLGOLLRUSA-N 1 2 357.414 2.905 20 5 FFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCN(C)[C@@H](c2nc(C3CC3)no2)C1 ZINC000285033363 511976431 /nfs/dbraw/zinc/97/64/31/511976431.db2.gz VQXBUZGTGSVKIP-MLGOLLRUSA-N 1 2 357.414 2.905 20 5 FFBDLO CN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274935236 511993073 /nfs/dbraw/zinc/99/30/73/511993073.db2.gz MHEGPBKIFMPSHB-INIZCTEOSA-N 1 2 355.394 2.647 20 5 FFBDLO CN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274935236 511993076 /nfs/dbraw/zinc/99/30/76/511993076.db2.gz MHEGPBKIFMPSHB-INIZCTEOSA-N 1 2 355.394 2.647 20 5 FFBDLO Cc1ccc(NC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)cc1[N+](=O)[O-] ZINC000275283964 512095940 /nfs/dbraw/zinc/09/59/40/512095940.db2.gz LDOKILJVSBJCEJ-CZUORRHYSA-N 1 2 359.386 2.679 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000275325748 512104189 /nfs/dbraw/zinc/10/41/89/512104189.db2.gz QLYFPXAEKKAKBU-LRDDRELGSA-N 1 2 359.386 2.679 20 5 FFBDLO CCOc1cc(C[N@@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000373809888 512517111 /nfs/dbraw/zinc/51/71/11/512517111.db2.gz KOHXHFVGDUSSSZ-KDOFPFPSSA-N 1 2 350.415 2.763 20 5 FFBDLO CCOc1cc(C[N@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000373809888 512517115 /nfs/dbraw/zinc/51/71/15/512517115.db2.gz KOHXHFVGDUSSSZ-KDOFPFPSSA-N 1 2 350.415 2.763 20 5 FFBDLO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378068752 512572918 /nfs/dbraw/zinc/57/29/18/512572918.db2.gz ACHTYKDNQWDNRE-UHFFFAOYSA-N 1 2 367.365 2.592 20 5 FFBDLO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378068752 512572919 /nfs/dbraw/zinc/57/29/19/512572919.db2.gz ACHTYKDNQWDNRE-UHFFFAOYSA-N 1 2 367.365 2.592 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(c2ccccn2)CC1 ZINC000378264985 512665661 /nfs/dbraw/zinc/66/56/61/512665661.db2.gz YZTOUHXXYVUUIQ-UHFFFAOYSA-N 1 2 370.409 2.817 20 5 FFBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)c1 ZINC000376506164 512848166 /nfs/dbraw/zinc/84/81/66/512848166.db2.gz JWASJZINCUEYQP-NSHDSACASA-N 1 2 374.323 2.506 20 5 FFBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)c1 ZINC000376506164 512848169 /nfs/dbraw/zinc/84/81/69/512848169.db2.gz JWASJZINCUEYQP-NSHDSACASA-N 1 2 374.323 2.506 20 5 FFBDLO O=C(C[NH+]1CCC([C@@H]2CCOC2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000368234880 512858267 /nfs/dbraw/zinc/85/82/67/512858267.db2.gz MWPYJHKMTVHXJE-CYBMUJFWSA-N 1 2 367.833 2.935 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1[C@H](C(=O)OC(C)(C)C)C[C@H]2CCCC[C@@H]21 ZINC000372487886 512900329 /nfs/dbraw/zinc/90/03/29/512900329.db2.gz UTPUFIMEXZERDI-RDBSUJKOSA-N 1 2 364.446 2.803 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1[C@H](C(=O)OC(C)(C)C)C[C@H]2CCCC[C@@H]21 ZINC000372487886 512900334 /nfs/dbraw/zinc/90/03/34/512900334.db2.gz UTPUFIMEXZERDI-RDBSUJKOSA-N 1 2 364.446 2.803 20 5 FFBDLO C[C@@H]([NH2+][C@H](C)c1csnn1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000412032601 512920005 /nfs/dbraw/zinc/92/00/05/512920005.db2.gz DOGCNWQCGQVWFM-HTQZYQBOSA-N 1 2 355.807 2.778 20 5 FFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000374866564 513045907 /nfs/dbraw/zinc/04/59/07/513045907.db2.gz WBOMJALANGWZCB-DJJJIMSYSA-N 1 2 373.384 2.654 20 5 FFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000374866564 513045910 /nfs/dbraw/zinc/04/59/10/513045910.db2.gz WBOMJALANGWZCB-DJJJIMSYSA-N 1 2 373.384 2.654 20 5 FFBDLO Cc1[nH]c(-c2cccc(NC(=O)CCn3cc([N+](=O)[O-])cn3)c2)[nH+]c1C ZINC000368817823 513113745 /nfs/dbraw/zinc/11/37/45/513113745.db2.gz NJZHSRZZELRPGK-UHFFFAOYSA-N 1 2 354.370 2.827 20 5 FFBDLO CC(C)([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cc(C(F)(F)F)on1 ZINC000429242345 513313479 /nfs/dbraw/zinc/31/34/79/513313479.db2.gz SETVMDCWTMASJR-UHFFFAOYSA-N 1 2 372.303 2.725 20 5 FFBDLO Cc1ccc[nH+]c1CCCNc1c(Br)cncc1[N+](=O)[O-] ZINC000450722560 513316143 /nfs/dbraw/zinc/31/61/43/513316143.db2.gz CRDDCANQUAPWSB-UHFFFAOYSA-N 1 2 351.204 2.922 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCC1(CF)CCOCC1 ZINC000450733345 513318333 /nfs/dbraw/zinc/31/83/33/513318333.db2.gz PANLPPYUYCVYSS-UHFFFAOYSA-N 1 2 367.421 2.605 20 5 FFBDLO COC(=O)C[C@](C)([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccccn1 ZINC000429677640 513439899 /nfs/dbraw/zinc/43/98/99/513439899.db2.gz CJUJOIOJULHCMZ-SFHVURJKSA-N 1 2 359.382 2.567 20 5 FFBDLO Cc1noc([C@@H](C)[NH+]2CCN(c3ccc([N+](=O)[O-])c4ncccc34)CC2)n1 ZINC000413133492 513470470 /nfs/dbraw/zinc/47/04/70/513470470.db2.gz PLOWHKKRYHNBDS-GFCCVEGCSA-N 1 2 368.397 2.718 20 5 FFBDLO CCc1cnc(N2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)s1 ZINC000441320264 513539833 /nfs/dbraw/zinc/53/98/33/513539833.db2.gz BNTKDSOLXLQFDG-UHFFFAOYSA-N 1 2 362.455 2.815 20 5 FFBDLO Cc1nccnc1N1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413259666 513553999 /nfs/dbraw/zinc/55/39/99/513553999.db2.gz BXEWVNSVNMWUMH-UHFFFAOYSA-N 1 2 350.382 2.568 20 5 FFBDLO Nc1nccc([C@H]2CCCN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)C2)n1 ZINC000413263626 513554981 /nfs/dbraw/zinc/55/49/81/513554981.db2.gz ISQFSYDBGCENNM-ZDUSSCGKSA-N 1 2 350.382 2.730 20 5 FFBDLO CCN1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@H]1c1[nH]cc[nH+]1 ZINC000413271057 513561533 /nfs/dbraw/zinc/56/15/33/513561533.db2.gz RLKGWPADAPSRTE-LBPRGKRZSA-N 1 2 370.335 2.615 20 5 FFBDLO CCC(CC)[C@@H](O)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447814343 513580354 /nfs/dbraw/zinc/58/03/54/513580354.db2.gz ZNOLNBMAZAXIPV-SFHVURJKSA-N 1 2 351.447 2.636 20 5 FFBDLO Cc1c([C@@H](C)Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])cnn1C ZINC000447817206 513581948 /nfs/dbraw/zinc/58/19/48/513581948.db2.gz NDDGEVGZFBLABB-CYBMUJFWSA-N 1 2 359.430 2.642 20 5 FFBDLO Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)n1 ZINC000425570199 513645416 /nfs/dbraw/zinc/64/54/16/513645416.db2.gz LLWYMLZMLSENGN-UHFFFAOYSA-N 1 2 366.381 2.780 20 5 FFBDLO CO[C@H]1C[C@@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C12CCC2 ZINC000413431595 513653538 /nfs/dbraw/zinc/65/35/38/513653538.db2.gz AMYPPEWBZFRBQH-MSOLQXFVSA-N 1 2 361.442 2.797 20 5 FFBDLO CC(C)Oc1cc(C(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)ccc1[N+](=O)[O-] ZINC000413784046 513814462 /nfs/dbraw/zinc/81/44/62/513814462.db2.gz ODNMUOIUSCGLEQ-MRXNPFEDSA-N 1 2 370.409 2.564 20 5 FFBDLO CN(C)c1[nH+]cccc1NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000442948083 513824680 /nfs/dbraw/zinc/82/46/80/513824680.db2.gz UEEAXLFGCOEPKA-UHFFFAOYSA-N 1 2 367.365 2.622 20 5 FFBDLO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1O ZINC000436752475 513965908 /nfs/dbraw/zinc/96/59/08/513965908.db2.gz RNRDCVKVMMZDSL-UHFFFAOYSA-N 1 2 355.394 2.826 20 5 FFBDLO COc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(O)c1 ZINC000443555516 513993461 /nfs/dbraw/zinc/99/34/61/513993461.db2.gz DABMJSWOVXNDBD-UHFFFAOYSA-N 1 2 354.322 2.747 20 5 FFBDLO Cc1ccn2cc(CNC(=O)COc3ccc([N+](=O)[O-])c(C)c3)[nH+]c2c1 ZINC000431834288 514014516 /nfs/dbraw/zinc/01/45/16/514014516.db2.gz CCNXTWKROWWGNX-UHFFFAOYSA-N 1 2 354.366 2.555 20 5 FFBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])Nc1cccc(CN2CCOCC2)[nH+]1 ZINC000449204582 514111752 /nfs/dbraw/zinc/11/17/52/514111752.db2.gz MEDNFJGGHRQFDQ-OAHLLOKOSA-N 1 2 356.426 2.865 20 5 FFBDLO CCc1cc(N(C)C[C@H](C)C(=O)OC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000432156340 514111812 /nfs/dbraw/zinc/11/18/12/514111812.db2.gz IBMFEZQUOGGNKJ-LBPRGKRZSA-N 1 2 358.398 2.860 20 5 FFBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])Nc1cccc(C[N@@H+]2CCNC(=O)C2)c1 ZINC000449339819 514173724 /nfs/dbraw/zinc/17/37/24/514173724.db2.gz ZFEHXUHCTXZQLH-OAHLLOKOSA-N 1 2 368.437 2.570 20 5 FFBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])Nc1cccc(C[N@H+]2CCNC(=O)C2)c1 ZINC000449339819 514173731 /nfs/dbraw/zinc/17/37/31/514173731.db2.gz ZFEHXUHCTXZQLH-OAHLLOKOSA-N 1 2 368.437 2.570 20 5 FFBDLO CCCCCNC(=O)C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444599615 514269194 /nfs/dbraw/zinc/26/91/94/514269194.db2.gz WZXJOKMFRYRSCU-UHFFFAOYSA-N 1 2 373.457 2.990 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(Oc4ccccn4)CC3)nc2c1 ZINC000444671196 514288498 /nfs/dbraw/zinc/28/84/98/514288498.db2.gz ZHILJYYLWUHUPG-UHFFFAOYSA-N 1 2 353.382 2.910 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@H]([C@H](O)C(F)(F)F)C3)nc2c1 ZINC000444725381 514307162 /nfs/dbraw/zinc/30/71/62/514307162.db2.gz GQNCXNRTEIPRKI-XPTSAGLGSA-N 1 2 358.320 2.606 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H]([C@H](O)C(F)(F)F)C3)nc2c1 ZINC000444725381 514307163 /nfs/dbraw/zinc/30/71/63/514307163.db2.gz GQNCXNRTEIPRKI-XPTSAGLGSA-N 1 2 358.320 2.606 20 5 FFBDLO Cc1ccccc1C[NH+]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000427919626 514345966 /nfs/dbraw/zinc/34/59/66/514345966.db2.gz YYWMRKNBISRINA-UHFFFAOYSA-N 1 2 355.394 2.567 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000420936925 514387614 /nfs/dbraw/zinc/38/76/14/514387614.db2.gz JDSAGYSTXBUQRQ-GRYCIOLGSA-N 1 2 355.822 2.526 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000420936925 514387616 /nfs/dbraw/zinc/38/76/16/514387616.db2.gz JDSAGYSTXBUQRQ-GRYCIOLGSA-N 1 2 355.822 2.526 20 5 FFBDLO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCCCNc1cccc[nH+]1 ZINC000449852982 514391029 /nfs/dbraw/zinc/39/10/29/514391029.db2.gz AEGKYPMQZKFJCE-UHFFFAOYSA-N 1 2 356.382 2.571 20 5 FFBDLO Cc1nc([C@@](C)([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C2CC2)no1 ZINC000433322842 514458692 /nfs/dbraw/zinc/45/86/92/514458692.db2.gz ZDIAXXWZTSNMGN-SFHVURJKSA-N 1 2 373.413 2.838 20 5 FFBDLO COC(=O)C(C)(C)N1CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000428411628 514469818 /nfs/dbraw/zinc/46/98/18/514469818.db2.gz JMLKUEYDPDCVKV-UHFFFAOYSA-N 1 2 363.458 2.787 20 5 FFBDLO O=C(CCC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000450062601 514485196 /nfs/dbraw/zinc/48/51/96/514485196.db2.gz QNJMDFAAYPRCFM-UHFFFAOYSA-N 1 2 356.382 2.687 20 5 FFBDLO O=C(CCC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000450062601 514485200 /nfs/dbraw/zinc/48/52/00/514485200.db2.gz QNJMDFAAYPRCFM-UHFFFAOYSA-N 1 2 356.382 2.687 20 5 FFBDLO CN(CCC(=O)OC(C)(C)C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450099961 514497253 /nfs/dbraw/zinc/49/72/53/514497253.db2.gz HQFSWYPILXNORO-UHFFFAOYSA-N 1 2 374.397 2.584 20 5 FFBDLO Cc1nc([N+](=O)[O-])c(-c2noc(CCc3[nH]c4c(cccc4C)[nH+]3)n2)n1C ZINC000445615643 514499625 /nfs/dbraw/zinc/49/96/25/514499625.db2.gz JFGMCPCMILACDQ-UHFFFAOYSA-N 1 2 367.369 2.657 20 5 FFBDLO Cc1nc([N+](=O)[O-])c(-c2noc(CCc3[nH]c4cccc(C)c4[nH+]3)n2)n1C ZINC000445615643 514499628 /nfs/dbraw/zinc/49/96/28/514499628.db2.gz JFGMCPCMILACDQ-UHFFFAOYSA-N 1 2 367.369 2.657 20 5 FFBDLO O=C(NC[C@H]1CCCC1(F)F)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452825794 514507678 /nfs/dbraw/zinc/50/76/78/514507678.db2.gz PONAHFQGPFVHPA-GFCCVEGCSA-N 1 2 350.325 2.946 20 5 FFBDLO Cc1ccc(NCCCNC(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)c([N+](=O)[O-])c1 ZINC000455468683 514541847 /nfs/dbraw/zinc/54/18/47/514541847.db2.gz IVTCTUWFCAOKNY-ZFWWWQNUSA-N 1 2 372.429 2.907 20 5 FFBDLO C[C@@H]1CN(c2ccc(Nc3nc4cc([N+](=O)[O-])ccc4[nH]3)c[nH+]2)C[C@@H](C)O1 ZINC000450255557 514567544 /nfs/dbraw/zinc/56/75/44/514567544.db2.gz ZNXZZEPGZJHVSZ-VXGBXAGGSA-N 1 2 368.397 2.645 20 5 FFBDLO O=[N+]([O-])c1ccc(O)cc1CN(CC[NH+]1CCOCC1)c1ccccc1 ZINC000475139909 514570408 /nfs/dbraw/zinc/57/04/08/514570408.db2.gz ZNWPARIWXVMDGC-UHFFFAOYSA-N 1 2 357.410 2.639 20 5 FFBDLO Cc1cc(C)c(CNC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c[nH+]1 ZINC000455570759 514600370 /nfs/dbraw/zinc/60/03/70/514600370.db2.gz MMVDUDBZUWQZSX-UHFFFAOYSA-N 1 2 356.382 2.711 20 5 FFBDLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000484892765 514832340 /nfs/dbraw/zinc/83/23/40/514832340.db2.gz ULXQDKDXLSTFPY-UHFFFAOYSA-N 1 2 352.306 2.762 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1C[C@H](CO)c2ccccc21 ZINC000498277331 514844004 /nfs/dbraw/zinc/84/40/04/514844004.db2.gz RTWKSVWJAPWXEJ-CQSZACIVSA-N 1 2 364.361 2.517 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](c1nc(C)no1)C1CCOCC1 ZINC000498368999 514885272 /nfs/dbraw/zinc/88/52/72/514885272.db2.gz HLWPBINMEUSFRO-INIZCTEOSA-N 1 2 362.386 2.552 20 5 FFBDLO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000456171899 514999395 /nfs/dbraw/zinc/99/93/95/514999395.db2.gz CXAFPMSTYHZTCU-LBPRGKRZSA-N 1 2 352.460 2.791 20 5 FFBDLO Cn1ccnc1C(=O)c1ccc(N2CCC[C@H]2c2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000498901451 515107145 /nfs/dbraw/zinc/10/71/45/515107145.db2.gz MSBRGGWFHBUQSM-AWEZNQCLSA-N 1 2 366.381 2.624 20 5 FFBDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCc3ncc([N+](=O)[O-])cc3C1)C2 ZINC000476595924 515122126 /nfs/dbraw/zinc/12/21/26/515122126.db2.gz DEDVFZLQUFLXTO-LBPRGKRZSA-N 1 2 369.425 2.526 20 5 FFBDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCc3ncc([N+](=O)[O-])cc3C1)CC2 ZINC000476595924 515122131 /nfs/dbraw/zinc/12/21/31/515122131.db2.gz DEDVFZLQUFLXTO-LBPRGKRZSA-N 1 2 369.425 2.526 20 5 FFBDLO C[C@@H]1C[C@H](NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c2[nH+]ccn21 ZINC000456364599 515131586 /nfs/dbraw/zinc/13/15/86/515131586.db2.gz FYGBTSFOKIJNEH-ABAIWWIYSA-N 1 2 366.381 2.628 20 5 FFBDLO COc1ccc(C[N@H+](CCO)Cc2ccc([N+](=O)[O-])cc2F)c(OC)c1 ZINC000490325839 515176277 /nfs/dbraw/zinc/17/62/77/515176277.db2.gz DCEZKYXQSXDBOI-UHFFFAOYSA-N 1 2 364.373 2.746 20 5 FFBDLO COc1ccc(C[N@@H+](CCO)Cc2ccc([N+](=O)[O-])cc2F)c(OC)c1 ZINC000490325839 515176283 /nfs/dbraw/zinc/17/62/83/515176283.db2.gz DCEZKYXQSXDBOI-UHFFFAOYSA-N 1 2 364.373 2.746 20 5 FFBDLO Cc1[nH+]cn(-c2ccc(NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)cc2)c1C ZINC000462776217 515237364 /nfs/dbraw/zinc/23/73/64/515237364.db2.gz JNRVBQPXIAXXGI-UHFFFAOYSA-N 1 2 353.338 2.750 20 5 FFBDLO Cc1noc(C)c1CCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000472375894 515250675 /nfs/dbraw/zinc/25/06/75/515250675.db2.gz VERWSHHMIMABOM-UHFFFAOYSA-N 1 2 360.414 2.686 20 5 FFBDLO COC(=O)COc1ccc(C[NH+]2CC(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000462827298 515259442 /nfs/dbraw/zinc/25/94/42/515259442.db2.gz IHOAKOYHEQGSEO-UHFFFAOYSA-N 1 2 374.368 2.885 20 5 FFBDLO Cc1noc(C2(C)CC[NH+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)n1 ZINC000510421517 515536347 /nfs/dbraw/zinc/53/63/47/515536347.db2.gz WTGYFMFOVOUWQD-UHFFFAOYSA-N 1 2 373.413 2.587 20 5 FFBDLO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000505492251 515555255 /nfs/dbraw/zinc/55/52/55/515555255.db2.gz XTLRBQMCROTXAD-KRWDZBQOSA-N 1 2 372.400 2.709 20 5 FFBDLO CCc1ccc([C@@H]2CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC[NH2+]2)cc1 ZINC000505525084 515569947 /nfs/dbraw/zinc/56/99/47/515569947.db2.gz ZHDJWFAERXOWKB-SFHVURJKSA-N 1 2 355.394 2.650 20 5 FFBDLO O=C(CCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000459500531 515597882 /nfs/dbraw/zinc/59/78/82/515597882.db2.gz CGKQQKGAPQCDDJ-UHFFFAOYSA-N 1 2 354.410 2.775 20 5 FFBDLO CN(c1ccccc1)c1ccc(C[N@@H+]2CCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000505637805 515618397 /nfs/dbraw/zinc/61/83/97/515618397.db2.gz NCRGMGNPHFCPFX-KRWDZBQOSA-N 1 2 354.410 2.812 20 5 FFBDLO CN(c1ccccc1)c1ccc(C[N@H+]2CCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000505637805 515618405 /nfs/dbraw/zinc/61/84/05/515618405.db2.gz NCRGMGNPHFCPFX-KRWDZBQOSA-N 1 2 354.410 2.812 20 5 FFBDLO COCCn1cc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cn1 ZINC000500380181 515683325 /nfs/dbraw/zinc/68/33/25/515683325.db2.gz CCGPPMWSXQDDOB-UHFFFAOYSA-N 1 2 373.438 2.851 20 5 FFBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CCc3ccc([N+](=O)[O-])cc3C1)CCC2 ZINC000506089983 515776524 /nfs/dbraw/zinc/77/65/24/515776524.db2.gz DISYLZJTMANVFP-OAHLLOKOSA-N 1 2 369.425 2.745 20 5 FFBDLO Cc1cc[nH+]cc1N1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000500684827 515816546 /nfs/dbraw/zinc/81/65/46/515816546.db2.gz OVSNYCHICSBOKH-UHFFFAOYSA-N 1 2 360.801 2.914 20 5 FFBDLO Cc1cc(NC[C@@H](CO)c2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000487673915 515941048 /nfs/dbraw/zinc/94/10/48/515941048.db2.gz JPFMWYPKBBNYMI-KRWDZBQOSA-N 1 2 364.405 2.970 20 5 FFBDLO Cc1cc[nH+]cc1N1CCN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000455111546 515968469 /nfs/dbraw/zinc/96/84/69/515968469.db2.gz RCYHWKHNZPJQNS-HNNXBMFYSA-N 1 2 369.425 2.891 20 5 FFBDLO Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCO1 ZINC000470148394 516144628 /nfs/dbraw/zinc/14/46/28/516144628.db2.gz UWGBIMLPVAPGCW-IAQYHMDHSA-N 1 2 363.349 2.509 20 5 FFBDLO CC(C)(C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1[N+](=O)[O-] ZINC000488392854 516213561 /nfs/dbraw/zinc/21/35/61/516213561.db2.gz RVQGXRMJXOTCLD-CQSZACIVSA-N 1 2 354.410 2.663 20 5 FFBDLO COc1ccc(C[NH+]2CC(n3cc(-c4ccccc4)nn3)C2)cc1[N+](=O)[O-] ZINC000501754620 516216212 /nfs/dbraw/zinc/21/62/12/516216212.db2.gz UNCDENVCDONUPJ-UHFFFAOYSA-N 1 2 365.393 2.919 20 5 FFBDLO C[C@]12CCN(c3cc(C[NH+]4CCOCC4)ccc3[N+](=O)[O-])C[C@H]1C2(F)F ZINC000488439216 516225443 /nfs/dbraw/zinc/22/54/43/516225443.db2.gz ZETHJEMWZDJGNI-SJORKVTESA-N 1 2 367.396 2.909 20 5 FFBDLO Cc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000507537276 516235743 /nfs/dbraw/zinc/23/57/43/516235743.db2.gz YDWCMJQZQXAAFZ-CQSZACIVSA-N 1 2 369.468 2.546 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC(F)(F)C(F)(F)C1 ZINC000457957524 516254764 /nfs/dbraw/zinc/25/47/64/516254764.db2.gz VJEPBWBIPMFQMI-UHFFFAOYSA-N 1 2 358.251 2.507 20 5 FFBDLO Cc1cc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)ccc1-n1cncn1 ZINC000517634040 516392273 /nfs/dbraw/zinc/39/22/73/516392273.db2.gz GJAMPPCPNRQQMQ-UHFFFAOYSA-N 1 2 365.393 2.879 20 5 FFBDLO Cc1cc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)ccc1-n1cncn1 ZINC000517634040 516392283 /nfs/dbraw/zinc/39/22/83/516392283.db2.gz GJAMPPCPNRQQMQ-UHFFFAOYSA-N 1 2 365.393 2.879 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000558107534 516598364 /nfs/dbraw/zinc/59/83/64/516598364.db2.gz XMVAHQFHTSKGHR-MRXNPFEDSA-N 1 2 370.409 2.528 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000558107534 516598373 /nfs/dbraw/zinc/59/83/73/516598373.db2.gz XMVAHQFHTSKGHR-MRXNPFEDSA-N 1 2 370.409 2.528 20 5 FFBDLO Cc1cn2cc(NC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)ccc2[nH+]1 ZINC000524034669 516632436 /nfs/dbraw/zinc/63/24/36/516632436.db2.gz RJRDNMHRKGSBGN-UHFFFAOYSA-N 1 2 362.349 2.989 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)c1C ZINC000554809945 516647655 /nfs/dbraw/zinc/64/76/55/516647655.db2.gz MJWGNSSMLCYZOW-CQSZACIVSA-N 1 2 352.416 2.610 20 5 FFBDLO CC1(C)C[N@H+](CCNc2ccc(Br)cc2[N+](=O)[O-])CCO1 ZINC000524220982 516670747 /nfs/dbraw/zinc/67/07/47/516670747.db2.gz OEUAENJJLPIDNR-UHFFFAOYSA-N 1 2 358.236 2.880 20 5 FFBDLO CC1(C)C[N@@H+](CCNc2ccc(Br)cc2[N+](=O)[O-])CCO1 ZINC000524220982 516670751 /nfs/dbraw/zinc/67/07/51/516670751.db2.gz OEUAENJJLPIDNR-UHFFFAOYSA-N 1 2 358.236 2.880 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]CCOCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000513717851 516729665 /nfs/dbraw/zinc/72/96/65/516729665.db2.gz SGNNPJKDUZNWBK-ZDUSSCGKSA-N 1 2 358.320 2.586 20 5 FFBDLO CN(C)c1[nH]c2ccc(NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)cc2[nH+]1 ZINC000548062168 516734553 /nfs/dbraw/zinc/73/45/53/516734553.db2.gz WADCBWPBVKBXGW-UHFFFAOYSA-N 1 2 365.353 2.666 20 5 FFBDLO O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000561880909 516813727 /nfs/dbraw/zinc/81/37/27/516813727.db2.gz XWEUTTSHLFNHSF-UHFFFAOYSA-N 1 2 352.306 2.966 20 5 FFBDLO O=C1[C@@H]([N@@H+]2CCO[C@@H](C3CCCCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000544565696 516817699 /nfs/dbraw/zinc/81/76/99/516817699.db2.gz YQMWWYYMJLVRFD-RBUKOAKNSA-N 1 2 373.453 2.981 20 5 FFBDLO O=C1[C@@H]([N@H+]2CCO[C@@H](C3CCCCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000544565696 516817701 /nfs/dbraw/zinc/81/77/01/516817701.db2.gz YQMWWYYMJLVRFD-RBUKOAKNSA-N 1 2 373.453 2.981 20 5 FFBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](CC[S@](=O)c2ccccc2)CC1 ZINC000532463944 516989629 /nfs/dbraw/zinc/98/96/29/516989629.db2.gz BARHEPDWDASRGB-VWLOTQADSA-N 1 2 359.451 2.525 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+](C)Cc2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000532568494 517038219 /nfs/dbraw/zinc/03/82/19/517038219.db2.gz SPEHLNHHTTYSGQ-UHFFFAOYSA-N 1 2 359.382 2.770 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+](C)Cc2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000532568494 517038227 /nfs/dbraw/zinc/03/82/27/517038227.db2.gz SPEHLNHHTTYSGQ-UHFFFAOYSA-N 1 2 359.382 2.770 20 5 FFBDLO O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000552207801 517141850 /nfs/dbraw/zinc/14/18/50/517141850.db2.gz GGCYBLKFUMLDNV-UHFFFAOYSA-N 1 2 366.381 2.630 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]Cc1ccc(CO)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000552248683 517162541 /nfs/dbraw/zinc/16/25/41/517162541.db2.gz PFWLSXYATYNRCI-SFHVURJKSA-N 1 2 370.384 2.839 20 5 FFBDLO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](CS(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000552274493 517173664 /nfs/dbraw/zinc/17/36/64/517173664.db2.gz XIMVARPDGAFDND-OAHLLOKOSA-N 1 2 354.472 2.975 20 5 FFBDLO CC(C)c1ccc(C[N@H+]2CCC[C@@H](CS(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000552274493 517173671 /nfs/dbraw/zinc/17/36/71/517173671.db2.gz XIMVARPDGAFDND-OAHLLOKOSA-N 1 2 354.472 2.975 20 5 FFBDLO CN(Cc1ccccc1)C(=O)N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000533031921 517261465 /nfs/dbraw/zinc/26/14/65/517261465.db2.gz MZKUKDUVLHCNJS-UHFFFAOYSA-N 1 2 368.437 2.964 20 5 FFBDLO COC(=O)c1cc(-c2nc(Cc3ccc(C)[nH+]c3)no2)cc([N+](=O)[O-])c1 ZINC000545633772 517318947 /nfs/dbraw/zinc/31/89/47/517318947.db2.gz PCCRCBKAZXASTC-UHFFFAOYSA-N 1 2 354.322 2.726 20 5 FFBDLO CCc1[nH+]c2cc(CNC(=O)c3nn(C)cc3[N+](=O)[O-])ccc2n1C1CC1 ZINC000549030062 517364140 /nfs/dbraw/zinc/36/41/40/517364140.db2.gz XRCJWFBLQZPNHS-UHFFFAOYSA-N 1 2 368.397 2.505 20 5 FFBDLO Cc1cc(C)c(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c(C)[nH+]1 ZINC000520507170 517416973 /nfs/dbraw/zinc/41/69/73/517416973.db2.gz IJYLPOPIRLESNE-UHFFFAOYSA-N 1 2 356.382 2.674 20 5 FFBDLO Cc1cccn2cc(CC(=O)N3CCc4c(cccc4[N+](=O)[O-])C3)[nH+]c12 ZINC000533862943 517645193 /nfs/dbraw/zinc/64/51/93/517645193.db2.gz PLVRZSPDGQFOFT-UHFFFAOYSA-N 1 2 350.378 2.678 20 5 FFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC(O[C@H]3CCOC3)CC2)c1 ZINC000556900320 517736891 /nfs/dbraw/zinc/73/68/91/517736891.db2.gz FBAJPHUNCDGHAD-HNNXBMFYSA-N 1 2 372.368 2.966 20 5 FFBDLO O=C(CCc1cccc([N+](=O)[O-])c1)NCC1CC[NH+](CC(F)F)CC1 ZINC000556941900 517762572 /nfs/dbraw/zinc/76/25/72/517762572.db2.gz IQRBTWHFYSDPOJ-UHFFFAOYSA-N 1 2 355.385 2.621 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCO[C@]4(CCSC4)C3)co2)cc1 ZINC000516648438 517788764 /nfs/dbraw/zinc/78/87/64/517788764.db2.gz UTHSXQVPFHMKFL-QGZVFWFLSA-N 1 2 361.423 2.958 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCO[C@]4(CCSC4)C3)co2)cc1 ZINC000516648438 517788770 /nfs/dbraw/zinc/78/87/70/517788770.db2.gz UTHSXQVPFHMKFL-QGZVFWFLSA-N 1 2 361.423 2.958 20 5 FFBDLO O=C(NCCCNc1cccc[nH+]1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542891873 517801495 /nfs/dbraw/zinc/80/14/95/517801495.db2.gz WAQYKZUSHFCCHN-UHFFFAOYSA-N 1 2 366.324 2.823 20 5 FFBDLO CCn1nccc1C[N@H+](CCO)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000550000055 517821003 /nfs/dbraw/zinc/82/10/03/517821003.db2.gz MRWDOHCDMAFXBS-UHFFFAOYSA-N 1 2 372.347 2.825 20 5 FFBDLO CCn1nccc1C[N@@H+](CCO)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000550000055 517821013 /nfs/dbraw/zinc/82/10/13/517821013.db2.gz MRWDOHCDMAFXBS-UHFFFAOYSA-N 1 2 372.347 2.825 20 5 FFBDLO COc1cc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc([N+](=O)[O-])c1C ZINC000553635473 517822588 /nfs/dbraw/zinc/82/25/88/517822588.db2.gz MXAACVVFENVOLV-UHFFFAOYSA-N 1 2 367.365 2.804 20 5 FFBDLO Cc1nnc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000546811561 517868567 /nfs/dbraw/zinc/86/85/67/517868567.db2.gz SESPJGBLYTYQSA-SSDOTTSWSA-N 1 2 355.807 2.697 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@@H](CCO)c3ccccc3)n2)c1 ZINC000539230587 517955048 /nfs/dbraw/zinc/95/50/48/517955048.db2.gz ZTSHHFJPOWHSMA-INIZCTEOSA-N 1 2 354.366 2.858 20 5 FFBDLO Cc1ncc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)c(=O)[nH]1 ZINC000543241405 517984017 /nfs/dbraw/zinc/98/40/17/517984017.db2.gz QPQCYARHWUTGCQ-UHFFFAOYSA-N 1 2 357.395 2.812 20 5 FFBDLO CO[C@@H]1[C@H](C)[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1(C)C ZINC000539452111 518055505 /nfs/dbraw/zinc/05/55/05/518055505.db2.gz OVRXKQVCWOBOAC-HFBAOOFYSA-N 1 2 358.398 2.570 20 5 FFBDLO Cc1cc(N(C)Cc2nnc3n2CCC3)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000535233610 518168932 /nfs/dbraw/zinc/16/89/32/518168932.db2.gz KXPKVGHRMRHLPE-UHFFFAOYSA-N 1 2 365.397 2.534 20 5 FFBDLO Cc1cc(S(=O)(=O)Nc2c[nH+]ccc2N2CCCC2)ccc1[N+](=O)[O-] ZINC000566948112 518277541 /nfs/dbraw/zinc/27/75/41/518277541.db2.gz SWSGCRWPUOFLPM-UHFFFAOYSA-N 1 2 362.411 2.699 20 5 FFBDLO O=C(NCC1CC[NH+](CC(F)F)CC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000584360319 518301927 /nfs/dbraw/zinc/30/19/27/518301927.db2.gz CZDMCGDVCJXXOY-UHFFFAOYSA-N 1 2 366.368 2.783 20 5 FFBDLO Cc1ccc(NC(=O)CC[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)nc1 ZINC000567087756 518344366 /nfs/dbraw/zinc/34/43/66/518344366.db2.gz DRYOTJUQFYCMHH-UHFFFAOYSA-N 1 2 356.382 2.521 20 5 FFBDLO Cc1ccc(NC(=O)CC[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)nc1 ZINC000567087756 518344370 /nfs/dbraw/zinc/34/43/70/518344370.db2.gz DRYOTJUQFYCMHH-UHFFFAOYSA-N 1 2 356.382 2.521 20 5 FFBDLO O=[N+]([O-])c1ccc(Cc2noc(-c3cccc(Cn4cc[nH+]c4)c3)n2)nc1 ZINC000578799777 518378142 /nfs/dbraw/zinc/37/81/42/518378142.db2.gz BMZZHBGCICMMNH-UHFFFAOYSA-N 1 2 362.349 2.875 20 5 FFBDLO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000581669390 518399312 /nfs/dbraw/zinc/39/93/12/518399312.db2.gz QIHSRLKRXRFILA-LLVKDONJSA-N 1 2 368.315 2.689 20 5 FFBDLO Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000564412049 518439682 /nfs/dbraw/zinc/43/96/82/518439682.db2.gz SKOVPRVFJLGRKV-KRWDZBQOSA-N 1 2 358.394 2.538 20 5 FFBDLO Cc1ccccc1OC[C@@H](O)C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000564412049 518439692 /nfs/dbraw/zinc/43/96/92/518439692.db2.gz SKOVPRVFJLGRKV-KRWDZBQOSA-N 1 2 358.394 2.538 20 5 FFBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+](Cc1ccccc1)[C@@]1(CO)CCOC1 ZINC000585718750 518574587 /nfs/dbraw/zinc/57/45/87/518574587.db2.gz WIZYLQRDOQVHEA-LJQANCHMSA-N 1 2 360.385 2.888 20 5 FFBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+](Cc1ccccc1)[C@@]1(CO)CCOC1 ZINC000585718750 518574589 /nfs/dbraw/zinc/57/45/89/518574589.db2.gz WIZYLQRDOQVHEA-LJQANCHMSA-N 1 2 360.385 2.888 20 5 FFBDLO Cc1cc(N2CCOCC(F)(F)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000588859287 518851143 /nfs/dbraw/zinc/85/11/43/518851143.db2.gz SHAVKALDCUYZLS-UHFFFAOYSA-N 1 2 350.325 2.832 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccncc2OC[C@H]2CCOC2)c(F)c1 ZINC000588932058 518873354 /nfs/dbraw/zinc/87/33/54/518873354.db2.gz WZMPRZGWVACLFR-ZDUSSCGKSA-N 1 2 361.373 2.834 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@@H]1[C@H]1CCCOC1 ZINC000580076742 518996385 /nfs/dbraw/zinc/99/63/85/518996385.db2.gz FQMLRXMZFILMJD-JKSUJKDBSA-N 1 2 370.409 2.812 20 5 FFBDLO O=C(NC1CC1)c1ccc(NCc2ccn3cc[nH+]c3c2)c([N+](=O)[O-])c1 ZINC000589583629 519034937 /nfs/dbraw/zinc/03/49/37/519034937.db2.gz OSBIPBVSSKVKCP-UHFFFAOYSA-N 1 2 351.366 2.747 20 5 FFBDLO O=C1NCCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1Cc1ccccc1 ZINC000590192492 519170406 /nfs/dbraw/zinc/17/04/06/519170406.db2.gz HPQONZZCQGVFDH-GOSISDBHSA-N 1 2 357.385 2.667 20 5 FFBDLO O=C1NCCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1Cc1ccccc1 ZINC000590192492 519170410 /nfs/dbraw/zinc/17/04/10/519170410.db2.gz HPQONZZCQGVFDH-GOSISDBHSA-N 1 2 357.385 2.667 20 5 FFBDLO COC(=O)c1c(Cl)c(NCC(C)(C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000590570184 519270321 /nfs/dbraw/zinc/27/03/21/519270321.db2.gz XOHVJYSKZQWTEV-UHFFFAOYSA-N 1 2 371.821 2.558 20 5 FFBDLO COC(=O)c1ccnc(NCc2ccc(N3CCCCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000590572615 519270613 /nfs/dbraw/zinc/27/06/13/519270613.db2.gz PBUWVZDQDLQIMG-UHFFFAOYSA-N 1 2 371.397 2.774 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)cc(-c2nc([C@H]3C[N@@H+](C4CC4)CCO3)no2)c1 ZINC000569327780 519494384 /nfs/dbraw/zinc/49/43/84/519494384.db2.gz IEQNBRPRZOBOBY-CYBMUJFWSA-N 1 2 350.762 2.834 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)cc(-c2nc([C@H]3C[N@H+](C4CC4)CCO3)no2)c1 ZINC000569327780 519494390 /nfs/dbraw/zinc/49/43/90/519494390.db2.gz IEQNBRPRZOBOBY-CYBMUJFWSA-N 1 2 350.762 2.834 20 5 FFBDLO COc1ccc(CN[C@@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)cc1O ZINC000581062989 519504950 /nfs/dbraw/zinc/50/49/50/519504950.db2.gz RWYKGADGOBGEEF-GOSISDBHSA-N 1 2 368.393 2.922 20 5 FFBDLO C[C@H](Nc1ncc([N+](=O)[O-])cc1F)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000591147523 519529075 /nfs/dbraw/zinc/52/90/75/519529075.db2.gz SXTVCXAMPMUEES-SUMWQHHRSA-N 1 2 360.389 2.830 20 5 FFBDLO C[C@H](Nc1ncc([N+](=O)[O-])cc1F)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000591147523 519529083 /nfs/dbraw/zinc/52/90/83/519529083.db2.gz SXTVCXAMPMUEES-SUMWQHHRSA-N 1 2 360.389 2.830 20 5 FFBDLO COc1ccc(Cl)c(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000569411224 519534457 /nfs/dbraw/zinc/53/44/57/519534457.db2.gz JVLOPPWFDXIAOF-UHFFFAOYSA-N 1 2 362.817 2.974 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)CO ZINC000602884933 519948421 /nfs/dbraw/zinc/94/84/21/519948421.db2.gz WZAIDOJDLAMXNB-CQSZACIVSA-N 1 2 352.822 2.831 20 5 FFBDLO Cc1cc(SC[C@H]2C[N@H+](C)CCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000591953984 520105010 /nfs/dbraw/zinc/10/50/10/520105010.db2.gz UVJKNRSQZWPRAT-OAHLLOKOSA-N 1 2 360.439 2.783 20 5 FFBDLO Cc1cc(SC[C@H]2C[N@@H+](C)CCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000591953984 520105018 /nfs/dbraw/zinc/10/50/18/520105018.db2.gz UVJKNRSQZWPRAT-OAHLLOKOSA-N 1 2 360.439 2.783 20 5 FFBDLO CC(C)c1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1[N+](=O)[O-] ZINC000600206867 520123401 /nfs/dbraw/zinc/12/34/01/520123401.db2.gz FNCWAEGDFMXONU-CABCVRRESA-N 1 2 352.456 2.870 20 5 FFBDLO CC(C)c1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1[N+](=O)[O-] ZINC000600206867 520123406 /nfs/dbraw/zinc/12/34/06/520123406.db2.gz FNCWAEGDFMXONU-CABCVRRESA-N 1 2 352.456 2.870 20 5 FFBDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000597632120 520145048 /nfs/dbraw/zinc/14/50/48/520145048.db2.gz PNMOKGUMJHFXHY-VXGBXAGGSA-N 1 2 365.187 2.833 20 5 FFBDLO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609131465 520199373 /nfs/dbraw/zinc/19/93/73/520199373.db2.gz QGTRKLLHUJZFAJ-MRXNPFEDSA-N 1 2 369.425 2.869 20 5 FFBDLO Cc1cc(NCCNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)nc(C(C)C)[nH+]1 ZINC000600368407 520228612 /nfs/dbraw/zinc/22/86/12/520228612.db2.gz YBEKLNAHFDETIR-CQSZACIVSA-N 1 2 371.441 2.570 20 5 FFBDLO C[C@@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC2(CCCC2)O1 ZINC000592193771 520256735 /nfs/dbraw/zinc/25/67/35/520256735.db2.gz NDVTUYQVLDKBMH-CQSZACIVSA-N 1 2 359.426 2.517 20 5 FFBDLO C[C@@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC2(CCCC2)O1 ZINC000592193771 520256748 /nfs/dbraw/zinc/25/67/48/520256748.db2.gz NDVTUYQVLDKBMH-CQSZACIVSA-N 1 2 359.426 2.517 20 5 FFBDLO C[C@@H]([NH2+][C@H](C)c1nnc2n1CCCCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000613062619 520297984 /nfs/dbraw/zinc/29/79/84/520297984.db2.gz ALEHPYGGPGHOLU-CHWSQXEVSA-N 1 2 372.429 2.591 20 5 FFBDLO Cc1noc(C[N@@H+]2CCCN(C(=O)c3cccc(C)c3)CC2)c1[N+](=O)[O-] ZINC000595292190 520389315 /nfs/dbraw/zinc/38/93/15/520389315.db2.gz WMKIMVFLHCUAKF-UHFFFAOYSA-N 1 2 358.398 2.548 20 5 FFBDLO Cc1noc(C[N@H+]2CCCN(C(=O)c3cccc(C)c3)CC2)c1[N+](=O)[O-] ZINC000595292190 520389318 /nfs/dbraw/zinc/38/93/18/520389318.db2.gz WMKIMVFLHCUAKF-UHFFFAOYSA-N 1 2 358.398 2.548 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000609657117 520396225 /nfs/dbraw/zinc/39/62/25/520396225.db2.gz QRHFDGARLJJWCA-UHFFFAOYSA-N 1 2 352.350 2.719 20 5 FFBDLO Cc1ccnc(NCc2cccc(OCC[NH+]3CCOCC3)c2)c1[N+](=O)[O-] ZINC000609669905 520401029 /nfs/dbraw/zinc/40/10/29/520401029.db2.gz KYDNQWLNUGCPJY-UHFFFAOYSA-N 1 2 372.425 2.621 20 5 FFBDLO Cc1cc(C)c(CN2C(=O)N[C@@](C)(c3cccc([N+](=O)[O-])c3)C2=O)c[nH+]1 ZINC000600697043 520404312 /nfs/dbraw/zinc/40/43/12/520404312.db2.gz DGTHVOQSDKZTHJ-SFHVURJKSA-N 1 2 354.366 2.574 20 5 FFBDLO COc1ccc(OC)c(C[N@H+](CCO)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000595318633 520405668 /nfs/dbraw/zinc/40/56/68/520405668.db2.gz XHSGURGFMSZXLZ-UHFFFAOYSA-N 1 2 364.373 2.746 20 5 FFBDLO COc1ccc(OC)c(C[N@@H+](CCO)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000595318633 520405675 /nfs/dbraw/zinc/40/56/75/520405675.db2.gz XHSGURGFMSZXLZ-UHFFFAOYSA-N 1 2 364.373 2.746 20 5 FFBDLO COC(=O)[C@@H](CC(C)(C)C)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000592525150 520439913 /nfs/dbraw/zinc/43/99/13/520439913.db2.gz IOXHXVGLYQMNNK-IUODEOHRSA-N 1 2 365.430 2.879 20 5 FFBDLO O=[N+]([O-])c1cc(F)ccc1CN1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000595626941 520602915 /nfs/dbraw/zinc/60/29/15/520602915.db2.gz SAYUECFJSVGBIX-UXHICEINSA-N 1 2 371.412 2.819 20 5 FFBDLO O=[N+]([O-])c1cc(F)ccc1CN1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000595626941 520602928 /nfs/dbraw/zinc/60/29/28/520602928.db2.gz SAYUECFJSVGBIX-UXHICEINSA-N 1 2 371.412 2.819 20 5 FFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000595626941 520602933 /nfs/dbraw/zinc/60/29/33/520602933.db2.gz SAYUECFJSVGBIX-UXHICEINSA-N 1 2 371.412 2.819 20 5 FFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000595626941 520602943 /nfs/dbraw/zinc/60/29/43/520602943.db2.gz SAYUECFJSVGBIX-UXHICEINSA-N 1 2 371.412 2.819 20 5 FFBDLO COC[C@@H]([NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000595684261 520648277 /nfs/dbraw/zinc/64/82/77/520648277.db2.gz MWPXRPAMTMYTQX-QGZVFWFLSA-N 1 2 374.393 2.867 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000595689180 520651542 /nfs/dbraw/zinc/65/15/42/520651542.db2.gz MXHRGMPJAHPULE-MZPVMMEZSA-N 1 2 367.833 2.934 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000595689180 520651545 /nfs/dbraw/zinc/65/15/45/520651545.db2.gz MXHRGMPJAHPULE-MZPVMMEZSA-N 1 2 367.833 2.934 20 5 FFBDLO CCn1c(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)nc2ccccc21 ZINC000601149860 520662369 /nfs/dbraw/zinc/66/23/69/520662369.db2.gz QWVGGJQKFIKMFH-IBGZPJMESA-N 1 2 354.410 2.962 20 5 FFBDLO COc1ccc2c(c1)CC[N@H+]([C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000595758821 520703691 /nfs/dbraw/zinc/70/36/91/520703691.db2.gz HTIOSFYLACGVKC-IBGZPJMESA-N 1 2 367.405 2.767 20 5 FFBDLO COc1ccc2c(c1)CC[N@@H+]([C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000595758821 520703697 /nfs/dbraw/zinc/70/36/97/520703697.db2.gz HTIOSFYLACGVKC-IBGZPJMESA-N 1 2 367.405 2.767 20 5 FFBDLO C[C@@H](CO)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000593085323 520732818 /nfs/dbraw/zinc/73/28/18/520732818.db2.gz USOZCKFWXHYMFX-RYUDHWBXSA-N 1 2 369.849 2.916 20 5 FFBDLO C[C@@H]1COC2(CCCC2)C[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595814720 520743814 /nfs/dbraw/zinc/74/38/14/520743814.db2.gz IBNNZTQUCXNPDA-CQSZACIVSA-N 1 2 359.426 2.517 20 5 FFBDLO C[C@@H]1COC2(CCCC2)C[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595814720 520743821 /nfs/dbraw/zinc/74/38/21/520743821.db2.gz IBNNZTQUCXNPDA-CQSZACIVSA-N 1 2 359.426 2.517 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000595836673 520758604 /nfs/dbraw/zinc/75/86/04/520758604.db2.gz YAHVSJJVIIESSR-GRYCIOLGSA-N 1 2 353.806 2.544 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000595836673 520758609 /nfs/dbraw/zinc/75/86/09/520758609.db2.gz YAHVSJJVIIESSR-GRYCIOLGSA-N 1 2 353.806 2.544 20 5 FFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000610701505 520803753 /nfs/dbraw/zinc/80/37/53/520803753.db2.gz TYIWQNSDFCEMRA-LBPRGKRZSA-N 1 2 365.393 2.898 20 5 FFBDLO Cc1ccc(S(=O)(=O)Nc2nc(C[NH+](C)C)cs2)c(C)c1[N+](=O)[O-] ZINC000598734331 520815556 /nfs/dbraw/zinc/81/55/56/520815556.db2.gz KRTCSKZTVXGNHV-UHFFFAOYSA-N 1 2 370.456 2.531 20 5 FFBDLO COC(=O)c1cnc([C@H]2CCC[N@H+](Cc3onc(C)c3[N+](=O)[O-])C2)s1 ZINC000595912349 520817458 /nfs/dbraw/zinc/81/74/58/520817458.db2.gz KBHDNIAAWWCKFP-JTQLQIEISA-N 1 2 366.399 2.514 20 5 FFBDLO COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3onc(C)c3[N+](=O)[O-])C2)s1 ZINC000595912349 520817466 /nfs/dbraw/zinc/81/74/66/520817466.db2.gz KBHDNIAAWWCKFP-JTQLQIEISA-N 1 2 366.399 2.514 20 5 FFBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCc3c(F)cc(Br)cc3C2)n1 ZINC000610729065 520818864 /nfs/dbraw/zinc/81/88/64/520818864.db2.gz HRYXZNREAGELKF-UHFFFAOYSA-N 1 2 369.194 2.751 20 5 FFBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCc3c(F)cc(Br)cc3C2)n1 ZINC000610729065 520818871 /nfs/dbraw/zinc/81/88/71/520818871.db2.gz HRYXZNREAGELKF-UHFFFAOYSA-N 1 2 369.194 2.751 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(Cc2noc(Cc3cn4c([nH+]3)CCCC4)n2)c1 ZINC000593298379 520892981 /nfs/dbraw/zinc/89/29/81/520892981.db2.gz GHWUKLDBQDOMFJ-UHFFFAOYSA-N 1 2 369.381 2.701 20 5 FFBDLO O=c1[nH]ccc(N2CC[NH+](Cc3ccc(F)cc3Cl)CC2)c1[N+](=O)[O-] ZINC000596075925 520897129 /nfs/dbraw/zinc/89/71/29/520897129.db2.gz JORTZZWHFUYKPI-UHFFFAOYSA-N 1 2 366.780 2.810 20 5 FFBDLO C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C2(CCC2)CO1 ZINC000593316929 520904901 /nfs/dbraw/zinc/90/49/01/520904901.db2.gz MOEYMSLPTADTFR-ZDUSSCGKSA-N 1 2 356.382 2.564 20 5 FFBDLO COC(=O)c1c(Cl)c(N[C@H](C)[C@H](C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000596114680 520921155 /nfs/dbraw/zinc/92/11/55/520921155.db2.gz MTGOPNKZCBDZET-MNOVXSKESA-N 1 2 371.821 2.556 20 5 FFBDLO Cn1cc(C[NH+]2CCN(c3ccc(C(F)(F)F)c([N+](=O)[O-])c3)CC2)cn1 ZINC000596116301 520921940 /nfs/dbraw/zinc/92/19/40/520921940.db2.gz SYCSGAQTBITWIR-UHFFFAOYSA-N 1 2 369.347 2.669 20 5 FFBDLO COC(=O)Cc1cc[nH+]c(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000596140089 520934294 /nfs/dbraw/zinc/93/42/94/520934294.db2.gz BXWYWXDKFJGXOR-UHFFFAOYSA-N 1 2 371.393 2.753 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601850856 520986356 /nfs/dbraw/zinc/98/63/56/520986356.db2.gz HOGAONPEZMXZLH-UHFFFAOYSA-N 1 2 372.450 2.781 20 5 FFBDLO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3cccc(O)c3[N+](=O)[O-])C2)cc1 ZINC000601881422 521004324 /nfs/dbraw/zinc/00/43/24/521004324.db2.gz MKWFAYAHCRWXJM-HNNXBMFYSA-N 1 2 355.394 2.613 20 5 FFBDLO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3cccc(O)c3[N+](=O)[O-])C2)cc1 ZINC000601881422 521004329 /nfs/dbraw/zinc/00/43/29/521004329.db2.gz MKWFAYAHCRWXJM-HNNXBMFYSA-N 1 2 355.394 2.613 20 5 FFBDLO COc1ccc(C[N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cn1 ZINC000611140008 521005360 /nfs/dbraw/zinc/00/53/60/521005360.db2.gz GTMIBZQCKCRELN-UHFFFAOYSA-N 1 2 355.354 2.680 20 5 FFBDLO COc1ccc(C[N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cn1 ZINC000611140008 521005366 /nfs/dbraw/zinc/00/53/66/521005366.db2.gz GTMIBZQCKCRELN-UHFFFAOYSA-N 1 2 355.354 2.680 20 5 FFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC(Oc2cnccn2)CC1 ZINC000599072776 521015766 /nfs/dbraw/zinc/01/57/66/521015766.db2.gz HSWVTAJGVVLCAM-UHFFFAOYSA-N 1 2 351.366 2.981 20 5 FFBDLO O=c1cccc2n1C[C@H]1C[C@@H]2CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599084135 521022976 /nfs/dbraw/zinc/02/29/76/521022976.db2.gz SJXWACQLYYURTM-DZGCQCFKSA-N 1 2 362.389 2.928 20 5 FFBDLO C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@H]1COc2ccccc2O1 ZINC000611252268 521057667 /nfs/dbraw/zinc/05/76/67/521057667.db2.gz SNWNJTHQKPYISQ-AWEZNQCLSA-N 1 2 372.377 2.638 20 5 FFBDLO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@H]1COc2ccccc2O1 ZINC000611252268 521057676 /nfs/dbraw/zinc/05/76/76/521057676.db2.gz SNWNJTHQKPYISQ-AWEZNQCLSA-N 1 2 372.377 2.638 20 5 FFBDLO COC(=O)c1c(Cl)c(NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596432191 521069149 /nfs/dbraw/zinc/06/91/49/521069149.db2.gz RCXZTOLZEKICPO-WDEREUQCSA-N 1 2 371.821 2.556 20 5 FFBDLO COC(=O)c1c(Cl)c(NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596432191 521069157 /nfs/dbraw/zinc/06/91/57/521069157.db2.gz RCXZTOLZEKICPO-WDEREUQCSA-N 1 2 371.821 2.556 20 5 FFBDLO CCc1cc(N[C@@H](C)c2[nH+]ccn2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596543186 521123859 /nfs/dbraw/zinc/12/38/59/521123859.db2.gz MVICRPIVKBWABD-LBPRGKRZSA-N 1 2 352.398 2.943 20 5 FFBDLO C[C@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000611408061 521140630 /nfs/dbraw/zinc/14/06/30/521140630.db2.gz IQBNKLZUZMLWAH-KBXCAEBGSA-N 1 2 354.410 2.832 20 5 FFBDLO C[C@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000611408061 521140639 /nfs/dbraw/zinc/14/06/39/521140639.db2.gz IQBNKLZUZMLWAH-KBXCAEBGSA-N 1 2 354.410 2.832 20 5 FFBDLO O=[N+]([O-])c1ccsc1NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000611412807 521142948 /nfs/dbraw/zinc/14/29/48/521142948.db2.gz ZVLBWNRNYLCQPK-UHFFFAOYSA-N 1 2 363.439 2.979 20 5 FFBDLO O=C(Cc1cn2c([nH+]1)CCCC2)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000593716347 521171149 /nfs/dbraw/zinc/17/11/49/521171149.db2.gz WHDHNPUQGIVXLI-UHFFFAOYSA-N 1 2 367.409 2.510 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H](OC(F)F)C3)n2)cc1 ZINC000611577231 521230170 /nfs/dbraw/zinc/23/01/70/521230170.db2.gz GXFBMQMRUASJEK-GFCCVEGCSA-N 1 2 354.313 2.848 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H](OC(F)F)C3)n2)cc1 ZINC000611577231 521230175 /nfs/dbraw/zinc/23/01/75/521230175.db2.gz GXFBMQMRUASJEK-GFCCVEGCSA-N 1 2 354.313 2.848 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCCc2cn3cccc(C)c3[nH+]2)c1 ZINC000611755165 521314219 /nfs/dbraw/zinc/31/42/19/521314219.db2.gz SYKQMZPULOMWDD-UHFFFAOYSA-N 1 2 354.366 2.992 20 5 FFBDLO COc1ccc(Br)cc1C[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602434825 521344722 /nfs/dbraw/zinc/34/47/22/521344722.db2.gz RXHIBKLAUXKWCR-UHFFFAOYSA-N 1 2 369.219 2.731 20 5 FFBDLO COc1ccc(Br)cc1C[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602434825 521344734 /nfs/dbraw/zinc/34/47/34/521344734.db2.gz RXHIBKLAUXKWCR-UHFFFAOYSA-N 1 2 369.219 2.731 20 5 FFBDLO COc1ccccc1C[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000602450437 521353790 /nfs/dbraw/zinc/35/37/90/521353790.db2.gz VNSBSOUCJVYPPQ-INIZCTEOSA-N 1 2 360.414 2.518 20 5 FFBDLO COc1ccccc1C[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000602450437 521353794 /nfs/dbraw/zinc/35/37/94/521353794.db2.gz VNSBSOUCJVYPPQ-INIZCTEOSA-N 1 2 360.414 2.518 20 5 FFBDLO COC(=O)C1C[C@H](C)[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000599687448 521402506 /nfs/dbraw/zinc/40/25/06/521402506.db2.gz BRSMESJGWPHHIG-STQMWFEESA-N 1 2 363.414 2.504 20 5 FFBDLO CSc1ccc(C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000594107175 521408415 /nfs/dbraw/zinc/40/84/15/521408415.db2.gz IJIZUKWLRXFMCC-UPJWGTAASA-N 1 2 367.471 2.544 20 5 FFBDLO CSc1ccc(C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000594107175 521408421 /nfs/dbraw/zinc/40/84/21/521408421.db2.gz IJIZUKWLRXFMCC-UPJWGTAASA-N 1 2 367.471 2.544 20 5 FFBDLO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@@H](n3cccn3)C(F)(F)F)nc2c1 ZINC000602720445 521495244 /nfs/dbraw/zinc/49/52/44/521495244.db2.gz GXNDCGRQCFMKBP-GFCCVEGCSA-N 1 2 355.276 2.826 20 5 FFBDLO COC(=O)[C@H](COC(C)C)[N@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000615834592 521552142 /nfs/dbraw/zinc/55/21/42/521552142.db2.gz WNBLPWKQEWXUJS-ZGUWOUCSSA-N 1 2 350.415 2.897 20 5 FFBDLO COC(=O)[C@H](COC(C)C)[N@@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000615834592 521552146 /nfs/dbraw/zinc/55/21/46/521552146.db2.gz WNBLPWKQEWXUJS-ZGUWOUCSSA-N 1 2 350.415 2.897 20 5 FFBDLO CCOc1ccc(N2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)nn1 ZINC000597243360 521593684 /nfs/dbraw/zinc/59/36/84/521593684.db2.gz NTTWMEXKSYGCHJ-FNORWQNLSA-N 1 2 369.425 2.619 20 5 FFBDLO COc1cc(C[N@@H+]2Cc3c[nH]nc3CC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000597258507 521600442 /nfs/dbraw/zinc/60/04/42/521600442.db2.gz OOEGWJUMYGTDCK-UHFFFAOYSA-N 1 2 360.414 2.920 20 5 FFBDLO COc1cc(C[N@H+]2Cc3c[nH]nc3CC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000597258507 521600447 /nfs/dbraw/zinc/60/04/47/521600447.db2.gz OOEGWJUMYGTDCK-UHFFFAOYSA-N 1 2 360.414 2.920 20 5 FFBDLO O=[N+]([O-])c1cc2ccccc2nc1NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000473514861 561051686 /nfs/dbraw/zinc/05/16/86/561051686.db2.gz YPICKARTENDWRA-SFHVURJKSA-N 1 2 374.466 2.763 20 5 FFBDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000162076732 728938806 /nfs/dbraw/zinc/93/88/06/728938806.db2.gz DBPPRKBBIYPBQB-UHFFFAOYSA-N 1 2 361.423 2.765 20 5 FFBDLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000898494228 735369531 /nfs/dbraw/zinc/36/95/31/735369531.db2.gz IEGGDJQGLKHGDK-LLVKDONJSA-N 1 2 363.311 2.777 20 5 FFBDLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000898494228 735369535 /nfs/dbraw/zinc/36/95/35/735369535.db2.gz IEGGDJQGLKHGDK-LLVKDONJSA-N 1 2 363.311 2.777 20 5 FFBDLO Cc1c[nH+]ccc1NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000107038633 728514953 /nfs/dbraw/zinc/51/49/53/728514953.db2.gz SYYRTMPRYKBGCV-UHFFFAOYSA-N 1 2 372.200 2.862 20 5 FFBDLO CCO[C@H]1C[C@H]([N@H+](C)Cn2cc(Br)c([N+](=O)[O-])n2)C12CCC2 ZINC000127157509 728705605 /nfs/dbraw/zinc/70/56/05/728705605.db2.gz HTVZKNMNEJJILR-RYUDHWBXSA-N 1 2 373.251 2.791 20 5 FFBDLO CCO[C@H]1C[C@H]([N@@H+](C)Cn2cc(Br)c([N+](=O)[O-])n2)C12CCC2 ZINC000127157509 728705606 /nfs/dbraw/zinc/70/56/06/728705606.db2.gz HTVZKNMNEJJILR-RYUDHWBXSA-N 1 2 373.251 2.791 20 5 FFBDLO C[C@@H](Nc1cccc(Br)c1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000856729037 730350980 /nfs/dbraw/zinc/35/09/80/730350980.db2.gz NNKWEZYFMPGRSS-MNOVXSKESA-N 1 2 358.236 2.878 20 5 FFBDLO CC(C)(C)OC(=O)[C@]1(C)CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000859381446 730452786 /nfs/dbraw/zinc/45/27/86/730452786.db2.gz PSJOWRFUWQCWDW-YJBOKZPZSA-N 1 2 350.415 2.824 20 5 FFBDLO CC(C)(C)OC(=O)[C@]1(C)CCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000859381446 730452787 /nfs/dbraw/zinc/45/27/87/730452787.db2.gz PSJOWRFUWQCWDW-YJBOKZPZSA-N 1 2 350.415 2.824 20 5 FFBDLO O=C(C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000917174459 737744570 /nfs/dbraw/zinc/74/45/70/737744570.db2.gz SXQQIIDPTPRZDW-LLVKDONJSA-N 1 2 363.805 2.789 20 5 FFBDLO O=C(C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000917174459 737744572 /nfs/dbraw/zinc/74/45/72/737744572.db2.gz SXQQIIDPTPRZDW-LLVKDONJSA-N 1 2 363.805 2.789 20 5 FFBDLO Cc1csc([C@@H]2CC[N@H+](Cn3c(=O)oc4cccc([N+](=O)[O-])c43)C2)n1 ZINC000872807007 731834903 /nfs/dbraw/zinc/83/49/03/731834903.db2.gz XNFWXMRLKOWWBY-LLVKDONJSA-N 1 2 360.395 2.715 20 5 FFBDLO Cc1csc([C@@H]2CC[N@@H+](Cn3c(=O)oc4cccc([N+](=O)[O-])c43)C2)n1 ZINC000872807007 731834906 /nfs/dbraw/zinc/83/49/06/731834906.db2.gz XNFWXMRLKOWWBY-LLVKDONJSA-N 1 2 360.395 2.715 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]C[C@H](O)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000780765016 738574972 /nfs/dbraw/zinc/57/49/72/738574972.db2.gz USFXJNRKZULLJW-HOTGVXAUSA-N 1 2 358.423 2.802 20 5 FFBDLO NC(=O)Cc1cccc2c1CC[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC000877679977 732412463 /nfs/dbraw/zinc/41/24/63/732412463.db2.gz PNIQHEMPVJXBRL-UHFFFAOYSA-N 1 2 359.813 2.834 20 5 FFBDLO NC(=O)Cc1cccc2c1CC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC000877679977 732412466 /nfs/dbraw/zinc/41/24/66/732412466.db2.gz PNIQHEMPVJXBRL-UHFFFAOYSA-N 1 2 359.813 2.834 20 5 FFBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@H+](CCc1cnccn1)CC2 ZINC000878571094 732556380 /nfs/dbraw/zinc/55/63/80/732556380.db2.gz LYZPKFKYGHFDDH-UHFFFAOYSA-N 1 2 363.215 2.748 20 5 FFBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@@H+](CCc1cnccn1)CC2 ZINC000878571094 732556384 /nfs/dbraw/zinc/55/63/84/732556384.db2.gz LYZPKFKYGHFDDH-UHFFFAOYSA-N 1 2 363.215 2.748 20 5 FFBDLO C[NH+](C)Cc1csc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000927777090 738782767 /nfs/dbraw/zinc/78/27/67/738782767.db2.gz RZYQFPYGTLSFRQ-UHFFFAOYSA-N 1 2 354.819 2.696 20 5 FFBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1nc(C[NH+](C)C)cs1 ZINC000895481839 735013090 /nfs/dbraw/zinc/01/30/90/735013090.db2.gz YWKFREUDHKNKDG-UHFFFAOYSA-N 1 2 364.427 2.820 20 5 FFBDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000901189777 735755071 /nfs/dbraw/zinc/75/50/71/735755071.db2.gz HKNHDWCQBJLDBH-NSHDSACASA-N 1 2 364.764 2.791 20 5 FFBDLO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000775876958 738134509 /nfs/dbraw/zinc/13/45/09/738134509.db2.gz NHMLIMWQAPCWGP-KGLIPLIRSA-N 1 2 356.806 2.791 20 5 FFBDLO CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000775876958 738134512 /nfs/dbraw/zinc/13/45/12/738134512.db2.gz NHMLIMWQAPCWGP-KGLIPLIRSA-N 1 2 356.806 2.791 20 5 FFBDLO CN(CCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1)C(=O)OC(C)(C)C ZINC000797978943 740295176 /nfs/dbraw/zinc/29/51/76/740295176.db2.gz MZPYQEADDGTEBY-UHFFFAOYSA-N 1 2 350.419 2.605 20 5 FFBDLO CN(CCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1)C(=O)OC(C)(C)C ZINC000797978943 740295180 /nfs/dbraw/zinc/29/51/80/740295180.db2.gz MZPYQEADDGTEBY-UHFFFAOYSA-N 1 2 350.419 2.605 20 5 FFBDLO COc1cc([N+](=O)[O-])c(C(=O)OCCCc2[nH+]ccn2C)cc1SC ZINC000802787393 740731324 /nfs/dbraw/zinc/73/13/24/740731324.db2.gz GCECZNJVISSGND-UHFFFAOYSA-N 1 2 365.411 2.848 20 5 FFBDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccc(Br)cc1[N+](=O)[O-] ZINC000820393233 742501041 /nfs/dbraw/zinc/50/10/41/742501041.db2.gz MJUUOHBOPXDFSH-GFCCVEGCSA-N 1 2 357.204 2.885 20 5 FFBDLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1ccc(Br)cc1[N+](=O)[O-] ZINC000820393233 742501045 /nfs/dbraw/zinc/50/10/45/742501045.db2.gz MJUUOHBOPXDFSH-GFCCVEGCSA-N 1 2 357.204 2.885 20 5 FFBDLO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000822502943 742745132 /nfs/dbraw/zinc/74/51/32/742745132.db2.gz BFUFMIZRKIXBEB-NSHDSACASA-N 1 2 366.219 2.786 20 5 FFBDLO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000822502943 742745135 /nfs/dbraw/zinc/74/51/35/742745135.db2.gz BFUFMIZRKIXBEB-NSHDSACASA-N 1 2 366.219 2.786 20 5 FFBDLO C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000823593873 742942274 /nfs/dbraw/zinc/94/22/74/742942274.db2.gz KPMGGGXWRYYHAA-AAEUAGOBSA-N 1 2 363.311 2.938 20 5 FFBDLO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000823593873 742942284 /nfs/dbraw/zinc/94/22/84/742942284.db2.gz KPMGGGXWRYYHAA-AAEUAGOBSA-N 1 2 363.311 2.938 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1F ZINC000826003003 743353901 /nfs/dbraw/zinc/35/39/01/743353901.db2.gz HNOSGNRYZDHDEJ-LLVKDONJSA-N 1 2 350.325 2.855 20 5 FFBDLO COCCCOCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1Br ZINC000839535236 746850014 /nfs/dbraw/zinc/85/00/14/746850014.db2.gz JHWLZBTWHCQTLW-UHFFFAOYSA-N 1 2 361.236 2.842 20 5 FFBDLO COCCCOCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1Br ZINC000839535236 746850020 /nfs/dbraw/zinc/85/00/20/746850020.db2.gz JHWLZBTWHCQTLW-UHFFFAOYSA-N 1 2 361.236 2.842 20 5 FFBDLO Cc1[nH+]ccn1-c1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841055074 747261758 /nfs/dbraw/zinc/26/17/58/747261758.db2.gz FQVXKODUKYZPEN-ZWNOBZJWSA-N 1 2 354.288 2.803 20 5 FFBDLO COC(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000852763286 749948541 /nfs/dbraw/zinc/94/85/41/749948541.db2.gz NJPADRZGDQCSSM-UHFFFAOYSA-N 1 2 372.219 2.678 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1cccc([N+](=O)[O-])c1 ZINC000872107795 1013147155 /nfs/dbraw/zinc/14/71/55/1013147155.db2.gz OXJKJDUYSFZMEM-XDKFSHSGSA-N 1 2 356.426 2.965 20 5 FFBDLO CNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001175360767 1013454097 /nfs/dbraw/zinc/45/40/97/1013454097.db2.gz BMHVUQAYUHMYPP-ZDUSSCGKSA-N 1 2 374.363 2.897 20 5 FFBDLO CNC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001175360767 1013454107 /nfs/dbraw/zinc/45/41/07/1013454107.db2.gz BMHVUQAYUHMYPP-ZDUSSCGKSA-N 1 2 374.363 2.897 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H](O)c3cc(F)ccc3F)CC2)cc1 ZINC000051093560 963982971 /nfs/dbraw/zinc/98/29/71/963982971.db2.gz XBPLUQPCFLYBKU-SFHVURJKSA-N 1 2 363.364 2.729 20 5 FFBDLO Cc1noc(C[NH+]2CCC(NC(=O)OCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC001175471894 1013484019 /nfs/dbraw/zinc/48/40/19/1013484019.db2.gz FCLWVYGXPVQSNQ-UHFFFAOYSA-N 1 2 374.397 2.782 20 5 FFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ncccn2)CC1 ZINC001176294948 1013666450 /nfs/dbraw/zinc/66/64/50/1013666450.db2.gz JUMGOIZPGVQVRA-ZDUSSCGKSA-N 1 2 355.398 2.591 20 5 FFBDLO CC(C)OC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001176262607 1013672868 /nfs/dbraw/zinc/67/28/68/1013672868.db2.gz KCRUEYGAYFXVJT-CYBMUJFWSA-N 1 2 363.414 2.585 20 5 FFBDLO CCOC(=O)N[C@@H]1CCC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000728896727 976829009 /nfs/dbraw/zinc/82/90/09/976829009.db2.gz KGZZIXJVMTUWKX-MRXNPFEDSA-N 1 2 373.413 2.626 20 5 FFBDLO CCOC(=O)N[C@@H]1CCC[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000728896727 976829021 /nfs/dbraw/zinc/82/90/21/976829021.db2.gz KGZZIXJVMTUWKX-MRXNPFEDSA-N 1 2 373.413 2.626 20 5 FFBDLO O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000152156949 979082012 /nfs/dbraw/zinc/08/20/12/979082012.db2.gz XCSYIKLHNGRORZ-KFKAGJAMSA-N 1 2 360.373 2.849 20 5 FFBDLO C[NH+](C)Cc1nc(CSCCNc2cnc(F)c([N+](=O)[O-])c2)cs1 ZINC001168108657 979428848 /nfs/dbraw/zinc/42/88/48/979428848.db2.gz NGXJTULDIFQFGT-UHFFFAOYSA-N 1 2 371.463 2.992 20 5 FFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000905732676 980502011 /nfs/dbraw/zinc/50/20/11/980502011.db2.gz BAGBVHIXUBRHLE-LBPRGKRZSA-N 1 2 374.422 2.871 20 5 FFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000905732676 980502016 /nfs/dbraw/zinc/50/20/16/980502016.db2.gz BAGBVHIXUBRHLE-LBPRGKRZSA-N 1 2 374.422 2.871 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910785816 982050971 /nfs/dbraw/zinc/05/09/71/982050971.db2.gz RWFFZWRIXGSOFW-UHFFFAOYSA-N 1 2 355.369 2.834 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910785816 982050980 /nfs/dbraw/zinc/05/09/80/982050980.db2.gz RWFFZWRIXGSOFW-UHFFFAOYSA-N 1 2 355.369 2.834 20 5 FFBDLO C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000057024528 984473483 /nfs/dbraw/zinc/47/34/83/984473483.db2.gz CCYPTTDFGXMOBK-HNNXBMFYSA-N 1 2 360.458 2.554 20 5 FFBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000172916555 985719225 /nfs/dbraw/zinc/71/92/25/985719225.db2.gz PRHPOVDGRSQSNU-OAHLLOKOSA-N 1 2 365.389 2.713 20 5 FFBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000172916555 985719235 /nfs/dbraw/zinc/71/92/35/985719235.db2.gz PRHPOVDGRSQSNU-OAHLLOKOSA-N 1 2 365.389 2.713 20 5 FFBDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000172955013 985724398 /nfs/dbraw/zinc/72/43/98/985724398.db2.gz MEFHMKSREIKKIN-INIZCTEOSA-N 1 2 365.384 2.796 20 5 FFBDLO O=[N+]([O-])c1c(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)nc2ccccn21 ZINC000029852509 986463301 /nfs/dbraw/zinc/46/33/01/986463301.db2.gz FSXGTHHOJZSOBV-INIZCTEOSA-N 1 2 367.409 2.555 20 5 FFBDLO O=[N+]([O-])c1c(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)nc2ccccn21 ZINC000029852509 986463304 /nfs/dbraw/zinc/46/33/04/986463304.db2.gz FSXGTHHOJZSOBV-INIZCTEOSA-N 1 2 367.409 2.555 20 5 FFBDLO COc1cc(C[NH2+]Cc2cc(C(F)(F)F)nn2C)c([N+](=O)[O-])cc1OC ZINC000922715225 988841806 /nfs/dbraw/zinc/84/18/06/988841806.db2.gz BEHRQGUCVHHMRU-UHFFFAOYSA-N 1 2 374.319 2.654 20 5 FFBDLO CO[C@H]1C[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)Cc3cccnc3N2C1 ZINC000879271213 1015451408 /nfs/dbraw/zinc/45/14/08/1015451408.db2.gz WOBFWLWRPINSNZ-CVEARBPZSA-N 1 2 372.400 2.738 20 5 FFBDLO CO[C@H]1C[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)Cc3cccnc3N2C1 ZINC000879271213 1015451415 /nfs/dbraw/zinc/45/14/15/1015451415.db2.gz WOBFWLWRPINSNZ-CVEARBPZSA-N 1 2 372.400 2.738 20 5 FFBDLO C[C@@H]1C(=O)CC[C@@H]1CC(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173516 995633271 /nfs/dbraw/zinc/63/32/71/995633271.db2.gz DGKCOKHXEMNMIU-LXZKKBNFSA-N 1 2 360.410 2.718 20 5 FFBDLO C[C@@H]1C(=O)CC[C@@H]1CC(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173516 995633276 /nfs/dbraw/zinc/63/32/76/995633276.db2.gz DGKCOKHXEMNMIU-LXZKKBNFSA-N 1 2 360.410 2.718 20 5 FFBDLO C[C@H](CC(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)n1cc[nH+]c1 ZINC000845279954 998462508 /nfs/dbraw/zinc/46/25/08/998462508.db2.gz GBJXMBGPZWDOLR-LLVKDONJSA-N 1 2 357.326 2.536 20 5 FFBDLO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2nc(-c3ccccc3)n[nH]2)n1 ZINC000774316317 1001857762 /nfs/dbraw/zinc/85/77/62/1001857762.db2.gz SVJWDAKHELQWBT-CABCVRRESA-N 1 2 367.413 2.850 20 5 FFBDLO COc1ccc(C[C@@H](C)[NH+]2CCN(Cc3ccco3)CC2)c([N+](=O)[O-])c1 ZINC001170347570 1003134022 /nfs/dbraw/zinc/13/40/22/1003134022.db2.gz RXUBPMPRBDPMDO-OAHLLOKOSA-N 1 2 359.426 2.945 20 5 FFBDLO COc1ccc(C[C@@H](C)N2CC[NH+](Cc3ccco3)CC2)c([N+](=O)[O-])c1 ZINC001170347570 1003134028 /nfs/dbraw/zinc/13/40/28/1003134028.db2.gz RXUBPMPRBDPMDO-OAHLLOKOSA-N 1 2 359.426 2.945 20 5 FFBDLO Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)nc1C ZINC001129677214 1003746132 /nfs/dbraw/zinc/74/61/32/1003746132.db2.gz RQHQHTNITKXREF-UHFFFAOYSA-N 1 2 351.366 2.722 20 5 FFBDLO Cc1cc(C)c(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)c[nH+]1 ZINC001129715143 1003748356 /nfs/dbraw/zinc/74/83/56/1003748356.db2.gz QFMXXPCDLIZGPW-UHFFFAOYSA-N 1 2 369.356 2.861 20 5 FFBDLO CC(C)C[C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)n1cc[nH+]c1 ZINC001135748659 1007271391 /nfs/dbraw/zinc/27/13/91/1007271391.db2.gz LYKJPKDLZIQTLW-SFHVURJKSA-N 1 2 371.441 2.727 20 5 FFBDLO O=C(OCc1cccc(C[NH+]2CCOCC2)c1)c1ccc([N+](=O)[O-])c(F)c1 ZINC000817183037 1007462932 /nfs/dbraw/zinc/46/29/32/1007462932.db2.gz PYOHGVLXWGVQFU-UHFFFAOYSA-N 1 2 374.368 2.923 20 5 FFBDLO Cc1cc(-n2cc[nH+]c2)ccc1Cn1nnc(-c2ccccc2[N+](=O)[O-])n1 ZINC001190219676 1007531183 /nfs/dbraw/zinc/53/11/83/1007531183.db2.gz CIEGIYIAUZXFQR-UHFFFAOYSA-N 1 2 361.365 2.791 20 5 FFBDLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000857938730 1008254445 /nfs/dbraw/zinc/25/44/45/1008254445.db2.gz KILAIQKZGLRTEF-AWEZNQCLSA-N 1 2 369.425 2.526 20 5 FFBDLO CC(C)(C)OC(=O)C[C@H]([NH3+])c1noc(/C=C\c2ccc([N+](=O)[O-])cc2)n1 ZINC000823401840 1009053618 /nfs/dbraw/zinc/05/36/18/1009053618.db2.gz LEJKHNRHZKKZFT-XURPKSDJSA-N 1 2 360.370 2.880 20 5 FFBDLO C[N@H+](Cc1ccc(Cl)c(S(N)(=O)=O)c1)Cc1ccccc1[N+](=O)[O-] ZINC001180011653 1009531660 /nfs/dbraw/zinc/53/16/60/1009531660.db2.gz RYNBGLHVLMSMME-UHFFFAOYSA-N 1 2 369.830 2.528 20 5 FFBDLO C[N@@H+](Cc1ccc(Cl)c(S(N)(=O)=O)c1)Cc1ccccc1[N+](=O)[O-] ZINC001180011653 1009531673 /nfs/dbraw/zinc/53/16/73/1009531673.db2.gz RYNBGLHVLMSMME-UHFFFAOYSA-N 1 2 369.830 2.528 20 5 FFBDLO COc1ccccc1CC[N@H+](C)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794626911 1010446688 /nfs/dbraw/zinc/44/66/88/1010446688.db2.gz YBFAUNSPOPCIQY-UHFFFAOYSA-N 1 2 357.366 2.643 20 5 FFBDLO COc1ccccc1CC[N@@H+](C)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794626911 1010446692 /nfs/dbraw/zinc/44/66/92/1010446692.db2.gz YBFAUNSPOPCIQY-UHFFFAOYSA-N 1 2 357.366 2.643 20 5 FFBDLO COc1cccc([C@@H]2CN(C(=O)c3cc(C)cc([N+](=O)[O-])c3)CC[NH2+]2)c1 ZINC000870149224 1012205085 /nfs/dbraw/zinc/20/50/85/1012205085.db2.gz GGWDWSRYZREFSL-SFHVURJKSA-N 1 2 355.394 2.699 20 5 FFBDLO COc1cccc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC[NH2+]2)c1 ZINC000870149695 1012206361 /nfs/dbraw/zinc/20/63/61/1012206361.db2.gz MJBACCUXGPPATD-KRWDZBQOSA-N 1 2 359.357 2.529 20 5 FFBDLO COc1cccc([C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC[NH2+]2)c1 ZINC000870149696 1012206489 /nfs/dbraw/zinc/20/64/89/1012206489.db2.gz MJBACCUXGPPATD-QGZVFWFLSA-N 1 2 359.357 2.529 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2noc(C(C)C)n2)c1F ZINC001173178067 1012321070 /nfs/dbraw/zinc/32/10/70/1012321070.db2.gz ZSXQZNHLFNURDT-JTQLQIEISA-N 1 2 352.366 2.970 20 5 FFBDLO O=C(N[C@@H](C1CCC1)[C@H]1CCOC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000871305476 1012841100 /nfs/dbraw/zinc/84/11/00/1012841100.db2.gz BOUKLHXIFZSFGC-YJBOKZPZSA-N 1 2 370.409 2.716 20 5 FFBDLO C[N@@H+](Cc1ccc(F)cc1)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000726583765 1020488585 /nfs/dbraw/zinc/48/85/85/1020488585.db2.gz MOGAGTJYELZHAI-UHFFFAOYSA-N 1 2 372.356 2.592 20 5 FFBDLO C[N@H+](Cc1ccc(F)cc1)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000726583765 1020488591 /nfs/dbraw/zinc/48/85/91/1020488591.db2.gz MOGAGTJYELZHAI-UHFFFAOYSA-N 1 2 372.356 2.592 20 5 FFBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1C(=O)CC2(CCCCC2)C1=O ZINC000800866295 1020610179 /nfs/dbraw/zinc/61/01/79/1020610179.db2.gz WYGXQLVNYYBISE-UHFFFAOYSA-N 1 2 359.426 2.736 20 5 FFBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1C(=O)CC2(CCCCC2)C1=O ZINC000800866295 1020610183 /nfs/dbraw/zinc/61/01/83/1020610183.db2.gz WYGXQLVNYYBISE-UHFFFAOYSA-N 1 2 359.426 2.736 20 5 FFBDLO O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000829006536 1032942925 /nfs/dbraw/zinc/94/29/25/1032942925.db2.gz XSXHKCWPBKDTAS-SFHVURJKSA-N 1 2 372.425 2.544 20 5 FFBDLO C[C@@H]1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000934654448 1021324237 /nfs/dbraw/zinc/32/42/37/1021324237.db2.gz RXKFJJIZAFYAJO-CXAGYDPISA-N 1 2 360.389 2.973 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000935683703 1021815677 /nfs/dbraw/zinc/81/56/77/1021815677.db2.gz OHNDQLPLFMYDCO-AWEZNQCLSA-N 1 2 360.389 2.806 20 5 FFBDLO CN(C[C@@](C)(O)C[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1)C(=O)OC(C)(C)C ZINC001118291563 1022164305 /nfs/dbraw/zinc/16/43/05/1022164305.db2.gz UCFZTBMETLPBNQ-GOSISDBHSA-N 1 2 365.430 2.528 20 5 FFBDLO CN(C[C@@](C)(O)C[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1)C(=O)OC(C)(C)C ZINC001118291563 1022164309 /nfs/dbraw/zinc/16/43/09/1022164309.db2.gz UCFZTBMETLPBNQ-GOSISDBHSA-N 1 2 365.430 2.528 20 5 FFBDLO Cc1ccc2ncc(C[NH+]3CCN(c4ccc([N+](=O)[O-])cc4)CC3)n2c1 ZINC000159175509 1022629146 /nfs/dbraw/zinc/62/91/46/1022629146.db2.gz ARTLKMABBLVNSR-UHFFFAOYSA-N 1 2 351.410 2.873 20 5 FFBDLO CCCCCNC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000838100518 1026208552 /nfs/dbraw/zinc/20/85/52/1026208552.db2.gz FHWLLZRKYIUGMB-ZDUSSCGKSA-N 1 2 374.397 2.632 20 5 FFBDLO COc1cc(NC2CC[NH+](CC(=O)c3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC001161142603 1028035514 /nfs/dbraw/zinc/03/55/14/1028035514.db2.gz AGKJKFITQVUYCF-UHFFFAOYSA-N 1 2 370.409 2.758 20 5 FFBDLO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[N@@H+]3CCc4ccccc4[C@@H]3C2)n1 ZINC001155088837 1028572714 /nfs/dbraw/zinc/57/27/14/1028572714.db2.gz ACVDPODQRCIMDF-AWEZNQCLSA-N 1 2 359.817 2.766 20 5 FFBDLO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[N@H+]3CCc4ccccc4[C@@H]3C2)n1 ZINC001155088837 1028572726 /nfs/dbraw/zinc/57/27/26/1028572726.db2.gz ACVDPODQRCIMDF-AWEZNQCLSA-N 1 2 359.817 2.766 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@@](C)(O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000780765284 1028800130 /nfs/dbraw/zinc/80/01/30/1028800130.db2.gz XUMKLHIKMBVNGI-SJLPKXTDSA-N 1 2 372.450 2.977 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000780766601 1028803739 /nfs/dbraw/zinc/80/37/39/1028803739.db2.gz HLFYRVOYYQDFSA-SJORKVTESA-N 1 2 372.425 2.693 20 5 FFBDLO O=C(NCc1[nH]c2c([nH+]1)CCCC2)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001156891676 1029394579 /nfs/dbraw/zinc/39/45/79/1029394579.db2.gz ONCOGVHFZRNREI-UHFFFAOYSA-N 1 2 366.324 2.728 20 5 FFBDLO CC(C)N=c1ccccn1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000841917194 1030542492 /nfs/dbraw/zinc/54/24/92/1030542492.db2.gz HJOLGASSAUIIPG-UHFFFAOYSA-N 1 2 351.366 2.580 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H](c2ccccn2)C1 ZINC000798722675 1031509564 /nfs/dbraw/zinc/50/95/64/1031509564.db2.gz QTACQVJOIXFXAG-HNNXBMFYSA-N 1 2 363.377 2.805 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001225612953 1034333455 /nfs/dbraw/zinc/33/34/55/1034333455.db2.gz LAUSFQDKGNINPS-QGZVFWFLSA-N 1 2 358.394 2.883 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001225612953 1034333472 /nfs/dbraw/zinc/33/34/72/1034333472.db2.gz LAUSFQDKGNINPS-QGZVFWFLSA-N 1 2 358.394 2.883 20 5 FFBDLO O=[N+]([O-])c1c(O)cccc1OC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001225620139 1034337585 /nfs/dbraw/zinc/33/75/85/1034337585.db2.gz NIVCOCAYRDMZOC-INIZCTEOSA-N 1 2 358.394 2.970 20 5 FFBDLO O=[N+]([O-])c1c(O)cccc1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001225620139 1034337596 /nfs/dbraw/zinc/33/75/96/1034337596.db2.gz NIVCOCAYRDMZOC-INIZCTEOSA-N 1 2 358.394 2.970 20 5 FFBDLO CCOC(=O)C[C@@H](OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000835258504 1035647601 /nfs/dbraw/zinc/64/76/01/1035647601.db2.gz GNXKWVJHAVWPRJ-MRXNPFEDSA-N 1 2 373.365 2.669 20 5 FFBDLO O=[N+]([O-])c1ccc(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)nc1Cl ZINC001228933516 1036416869 /nfs/dbraw/zinc/41/68/69/1036416869.db2.gz GRVUJGGBMWOZDQ-CQSZACIVSA-N 1 2 363.801 2.923 20 5 FFBDLO O=[N+]([O-])c1ccc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)nc1Cl ZINC001228933516 1036416874 /nfs/dbraw/zinc/41/68/74/1036416874.db2.gz GRVUJGGBMWOZDQ-CQSZACIVSA-N 1 2 363.801 2.923 20 5 FFBDLO COc1c(OC2C[NH+](C(C)C)C2)c2nccc3c4ccccc4n(c32)c1=O ZINC001234718480 1037154732 /nfs/dbraw/zinc/15/47/32/1037154732.db2.gz MSWPGDBOBDZVRQ-UHFFFAOYSA-N 1 2 363.417 2.919 20 5 FFBDLO C[NH+]1CCN(C(=O)c2ccc3[nH]c(-c4csc([N+](=O)[O-])c4)nc3c2)CC1 ZINC001250928500 1038819835 /nfs/dbraw/zinc/81/98/35/1038819835.db2.gz URIVTSPNCBMTDL-UHFFFAOYSA-N 1 2 371.422 2.587 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@@](N)(C(F)(F)F)C2)c1F ZINC001246568198 1039399642 /nfs/dbraw/zinc/39/96/42/1039399642.db2.gz KNKBPIHIVNCVNO-XPTSAGLGSA-N 1 2 365.327 2.639 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CC[C@@](N)(C(F)(F)F)C2)c1F ZINC001246568198 1039399650 /nfs/dbraw/zinc/39/96/50/1039399650.db2.gz KNKBPIHIVNCVNO-XPTSAGLGSA-N 1 2 365.327 2.639 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1Nc1[nH+]c2ccccc2n1CCNC(C)=O ZINC001210444321 1039551020 /nfs/dbraw/zinc/55/10/20/1039551020.db2.gz HLCPUTLMMLEKQO-UHFFFAOYSA-N 1 2 369.381 2.833 20 5 FFBDLO COC(=O)c1cc(NC(=O)c2ccn3c(C)c[nH+]c3c2)cc([N+](=O)[O-])c1 ZINC001538671124 1070472215 /nfs/dbraw/zinc/47/22/15/1070472215.db2.gz LSBIJZWIVOFCGR-UHFFFAOYSA-N 1 2 354.322 2.590 20 5 FFBDLO O=C(NCC[NH+]1CC=CC1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC001324275962 1045950295 /nfs/dbraw/zinc/95/02/95/1045950295.db2.gz ANYRCRMEQUDOHY-UHFFFAOYSA-N 1 2 369.371 2.561 20 5 FFBDLO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001328274517 1048245111 /nfs/dbraw/zinc/24/51/11/1048245111.db2.gz QMQFLXNJLXMZOZ-SFHVURJKSA-N 1 2 354.410 2.661 20 5 FFBDLO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001328274517 1048245119 /nfs/dbraw/zinc/24/51/19/1048245119.db2.gz QMQFLXNJLXMZOZ-SFHVURJKSA-N 1 2 354.410 2.661 20 5 FFBDLO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(Cl)cc1 ZINC001294243065 1049717340 /nfs/dbraw/zinc/71/73/40/1049717340.db2.gz BQJSHUCWURALEJ-HNNXBMFYSA-N 1 2 363.801 2.987 20 5 FFBDLO CN(CCc1cccc([N+](=O)[O-])c1)c1nnc([C@H]2CCCC[N@@H+]2C)n1C ZINC001340040697 1050451530 /nfs/dbraw/zinc/45/15/30/1050451530.db2.gz UGVGENXPRKUUHC-MRXNPFEDSA-N 1 2 358.446 2.559 20 5 FFBDLO CN(CCc1cccc([N+](=O)[O-])c1)c1nnc([C@H]2CCCC[N@H+]2C)n1C ZINC001340040697 1050451537 /nfs/dbraw/zinc/45/15/37/1050451537.db2.gz UGVGENXPRKUUHC-MRXNPFEDSA-N 1 2 358.446 2.559 20 5 FFBDLO CN(CCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1cccc[nH+]1 ZINC001302974658 1051243170 /nfs/dbraw/zinc/24/31/70/1051243170.db2.gz GORRIHIMOLFLOO-UHFFFAOYSA-N 1 2 354.366 2.992 20 5 FFBDLO Cc1nn(C)c(C(=O)N2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)c1[N+](=O)[O-] ZINC001347536641 1054083059 /nfs/dbraw/zinc/08/30/59/1054083059.db2.gz RIPVPLCOFQEYIM-ZDUSSCGKSA-N 1 2 374.445 2.608 20 5 FFBDLO O=C1N(C[N@@H+]2CC[C@H](c3nccs3)C2)CCN1c1ccccc1[N+](=O)[O-] ZINC001337169113 1054529063 /nfs/dbraw/zinc/52/90/63/1054529063.db2.gz ISFNGRJAHJXLNJ-ZDUSSCGKSA-N 1 2 373.438 2.740 20 5 FFBDLO O=C1N(C[N@H+]2CC[C@H](c3nccs3)C2)CCN1c1ccccc1[N+](=O)[O-] ZINC001337169113 1054529075 /nfs/dbraw/zinc/52/90/75/1054529075.db2.gz ISFNGRJAHJXLNJ-ZDUSSCGKSA-N 1 2 373.438 2.740 20 5 FFBDLO CCCCOC(=O)C(C)(C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000847224368 1055268313 /nfs/dbraw/zinc/26/83/13/1055268313.db2.gz SNOJMQWIDCHVQB-UHFFFAOYSA-N 1 2 374.397 2.632 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N(Cc1ccncc1)C1CC1 ZINC001351247843 1056154232 /nfs/dbraw/zinc/15/42/32/1056154232.db2.gz HULPSHDLJGGZHH-UHFFFAOYSA-N 1 2 363.377 2.980 20 5 FFBDLO O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1C[N@@H+]1CC[C@@H](CF)C1 ZINC001353198769 1056177959 /nfs/dbraw/zinc/17/79/59/1056177959.db2.gz KYQAGIFZAAABSD-VIFPVBQESA-N 1 2 372.194 2.562 20 5 FFBDLO O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1C[N@H+]1CC[C@@H](CF)C1 ZINC001353198769 1056177969 /nfs/dbraw/zinc/17/79/69/1056177969.db2.gz KYQAGIFZAAABSD-VIFPVBQESA-N 1 2 372.194 2.562 20 5 FFBDLO O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1C[N@@H+]1CC[C@H](CF)C1 ZINC001353198768 1056178077 /nfs/dbraw/zinc/17/80/77/1056178077.db2.gz KYQAGIFZAAABSD-SECBINFHSA-N 1 2 372.194 2.562 20 5 FFBDLO O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1C[N@H+]1CC[C@H](CF)C1 ZINC001353198768 1056178085 /nfs/dbraw/zinc/17/80/85/1056178085.db2.gz KYQAGIFZAAABSD-SECBINFHSA-N 1 2 372.194 2.562 20 5 FFBDLO CN(Cc1ccccc1[N+](=O)[O-])c1nnc([C@@H]2CCC[N@@H+]2C)n1CC1CC1 ZINC001351500947 1056294711 /nfs/dbraw/zinc/29/47/11/1056294711.db2.gz LKQONHZEJSPCCK-KRWDZBQOSA-N 1 2 370.457 2.999 20 5 FFBDLO CN(Cc1ccccc1[N+](=O)[O-])c1nnc([C@@H]2CCC[N@H+]2C)n1CC1CC1 ZINC001351500947 1056294726 /nfs/dbraw/zinc/29/47/26/1056294726.db2.gz LKQONHZEJSPCCK-KRWDZBQOSA-N 1 2 370.457 2.999 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1C[C@@H](F)C[C@H]1C(F)(F)F ZINC001339400022 1056414448 /nfs/dbraw/zinc/41/44/48/1056414448.db2.gz NXYYMZALQIMMFU-GWCFXTLKSA-N 1 2 372.278 2.895 20 5 FFBDLO CCOC(=O)c1ccnc(NCCc2cn3cccc(C)c3[nH+]2)c1[N+](=O)[O-] ZINC000610468869 1056430871 /nfs/dbraw/zinc/43/08/71/1056430871.db2.gz PIJCCMQGWNOGFC-UHFFFAOYSA-N 1 2 369.381 2.777 20 5 FFBDLO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC001544674816 1071677047 /nfs/dbraw/zinc/67/70/47/1071677047.db2.gz VMENKVHSDFIHHS-UHFFFAOYSA-N 1 2 371.328 2.901 20 5 FFBDLO Cn1c[nH+]cc1C1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC001355209949 1059993841 /nfs/dbraw/zinc/99/38/41/1059993841.db2.gz MBUFCHGQDAQFBO-UHFFFAOYSA-N 1 2 358.398 2.503 20 5 FFBDLO COc1nscc1CN(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001456375181 1060106892 /nfs/dbraw/zinc/10/68/92/1060106892.db2.gz YKLNEEZQKIYPTF-UHFFFAOYSA-N 1 2 373.394 2.518 20 5 FFBDLO Cn1nccc1C1=CC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000848486171 1060129209 /nfs/dbraw/zinc/12/92/09/1060129209.db2.gz DYNZETZEBKZVTN-UHFFFAOYSA-N 1 2 364.409 2.939 20 5 FFBDLO Cn1nccc1C1=CC[N@@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000848486171 1060129227 /nfs/dbraw/zinc/12/92/27/1060129227.db2.gz DYNZETZEBKZVTN-UHFFFAOYSA-N 1 2 364.409 2.939 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC001520985593 1060274162 /nfs/dbraw/zinc/27/41/62/1060274162.db2.gz UPRXDHWDINSAGC-ZDUSSCGKSA-N 1 2 365.393 2.693 20 5 FFBDLO O=C(N1CCC[C@H](n2cc[nH+]c2)C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848581304 1060309006 /nfs/dbraw/zinc/30/90/06/1060309006.db2.gz LRUYOIMQWPRNMT-ZDUSSCGKSA-N 1 2 366.324 2.627 20 5 FFBDLO COC(=O)/C=C/c1ccc(NCc2[nH]c3c([nH+]2)CCCC3)c([N+](=O)[O-])c1 ZINC001458634793 1060638708 /nfs/dbraw/zinc/63/87/08/1060638708.db2.gz AUJCTHAOZDFNQG-VQHVLOKHSA-N 1 2 356.382 2.995 20 5 FFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001533480899 1063306401 /nfs/dbraw/zinc/30/64/01/1063306401.db2.gz JAZYOTXQHDKRGE-KRWDZBQOSA-N 1 2 351.366 2.666 20 5 FFBDLO COc1cnc(F)c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC001470747505 1064437691 /nfs/dbraw/zinc/43/76/91/1064437691.db2.gz UBQJTWCYHQNPBG-UHFFFAOYSA-N 1 2 357.301 2.576 20 5 FFBDLO CC(C)c1[nH]cc(CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC001472094581 1064929605 /nfs/dbraw/zinc/92/96/05/1064929605.db2.gz BYIGLBMHYWSTGZ-UHFFFAOYSA-N 1 2 368.397 2.772 20 5 FFBDLO CC(C)c1[nH]c(CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC001472094581 1064929615 /nfs/dbraw/zinc/92/96/15/1064929615.db2.gz BYIGLBMHYWSTGZ-UHFFFAOYSA-N 1 2 368.397 2.772 20 5 FFBDLO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)o1 ZINC001473149201 1065209077 /nfs/dbraw/zinc/20/90/77/1065209077.db2.gz PTYUEZDAYVFJKL-DGCLKSJQSA-N 1 2 372.303 2.532 20 5 FFBDLO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)o1 ZINC001473149201 1065209083 /nfs/dbraw/zinc/20/90/83/1065209083.db2.gz PTYUEZDAYVFJKL-DGCLKSJQSA-N 1 2 372.303 2.532 20 5 FFBDLO O=C1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CN1c1ccccc1F ZINC001474547065 1065547104 /nfs/dbraw/zinc/54/71/04/1065547104.db2.gz VLRPZQSBYZLHQT-NSHDSACASA-N 1 2 370.340 2.770 20 5 FFBDLO CN(C)Cc1csc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC001583241455 1079183267 /nfs/dbraw/zinc/18/32/67/1079183267.db2.gz YUSBCSATHGBDJA-UHFFFAOYSA-N 1 2 372.410 2.551 20 5 FFBDLO C[C@H]1C[N@H+](CCNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC001584190739 1079319088 /nfs/dbraw/zinc/31/90/88/1079319088.db2.gz NKGUZFKJDTVJKT-KBPBESRZSA-N 1 2 363.458 2.731 20 5 FFBDLO C[C@H]1C[N@@H+](CCNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC001584190739 1079319093 /nfs/dbraw/zinc/31/90/93/1079319093.db2.gz NKGUZFKJDTVJKT-KBPBESRZSA-N 1 2 363.458 2.731 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCN(c3cccc(F)c3)CC2)c1 ZINC001560077633 1076222481 /nfs/dbraw/zinc/22/24/81/1076222481.db2.gz RXPZJKXPSMZGAX-UHFFFAOYSA-N 1 2 373.384 2.843 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[NH2+][C@H](c3ccc(Cl)cc3)C2)n1 ZINC001586124765 1079552690 /nfs/dbraw/zinc/55/26/90/1079552690.db2.gz NXBSXUVNBZGRIE-INIZCTEOSA-N 1 2 360.801 2.738 20 5 FFBDLO Nc1c(C(=O)N2CC[NH2+][C@@H](c3ccc(Cl)cc3)C2)cccc1[N+](=O)[O-] ZINC001586126593 1079554278 /nfs/dbraw/zinc/55/42/78/1079554278.db2.gz XIAOZCLCWNPPEZ-CQSZACIVSA-N 1 2 360.801 2.617 20 5 FFBDLO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCn1c[nH+]cc1-c1ccccc1 ZINC001586323511 1079601596 /nfs/dbraw/zinc/60/15/96/1079601596.db2.gz GVGXKSARJYSMCS-UHFFFAOYSA-N 1 2 369.356 2.610 20 5 FFBDLO CS(=O)(=O)CC[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000093816463 250047718 /nfs/dbraw/zinc/04/77/18/250047718.db2.gz ZOUVVUNFUWLUIK-UHFFFAOYSA-N 1 2 364.423 2.864 20 5 FFBDLO CS(=O)(=O)CC[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000093816463 250047722 /nfs/dbraw/zinc/04/77/22/250047722.db2.gz ZOUVVUNFUWLUIK-UHFFFAOYSA-N 1 2 364.423 2.864 20 5 FFBDLO Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc[nH+]1 ZINC000102466527 250110560 /nfs/dbraw/zinc/11/05/60/250110560.db2.gz RFXURODIGDAUQY-KRWDZBQOSA-N 1 2 368.393 2.850 20 5 FFBDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000102860396 250124821 /nfs/dbraw/zinc/12/48/21/250124821.db2.gz YSJWNISTWDBJTA-OAHLLOKOSA-N 1 2 373.409 2.551 20 5 FFBDLO COc1c(C)c[nH+]c(Cn2cc(Br)cc([N+](=O)[O-])c2=O)c1C ZINC000153439533 251137905 /nfs/dbraw/zinc/13/79/05/251137905.db2.gz DBJUXQVARRNHGF-UHFFFAOYSA-N 1 2 368.187 2.588 20 5 FFBDLO COCCO[C@@H]1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000186754968 251257565 /nfs/dbraw/zinc/25/75/65/251257565.db2.gz GPVBBZCXQGFBGB-MRXNPFEDSA-N 1 2 358.398 2.602 20 5 FFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000275486188 256014509 /nfs/dbraw/zinc/01/45/09/256014509.db2.gz OXMZQQIWCPJOQZ-HZMBPMFUSA-N 1 2 355.822 2.668 20 5 FFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000275486188 256014510 /nfs/dbraw/zinc/01/45/10/256014510.db2.gz OXMZQQIWCPJOQZ-HZMBPMFUSA-N 1 2 355.822 2.668 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000276367903 256093973 /nfs/dbraw/zinc/09/39/73/256093973.db2.gz CGCGLEVEOFQHRD-CXAGYDPISA-N 1 2 373.413 2.987 20 5 FFBDLO CCOc1cc(CN2CC[NH+](Cc3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000276857852 256137117 /nfs/dbraw/zinc/13/71/17/256137117.db2.gz FZBIRRYQNWZOPF-UHFFFAOYSA-N 1 2 356.426 2.706 20 5 FFBDLO Cc1cc(N2CC[C@@H](C)[S@](=O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000277188197 256169699 /nfs/dbraw/zinc/16/96/99/256169699.db2.gz OJJLRACEWMQCCB-YMXBGEKHSA-N 1 2 360.439 2.708 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000277684697 256226645 /nfs/dbraw/zinc/22/66/45/256226645.db2.gz GQKHWPSWTGRFIB-MRXNPFEDSA-N 1 2 370.471 2.781 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000277684697 256226647 /nfs/dbraw/zinc/22/66/47/256226647.db2.gz GQKHWPSWTGRFIB-MRXNPFEDSA-N 1 2 370.471 2.781 20 5 FFBDLO CC(C)c1[nH+]c2ccccc2n1Cc1noc(-c2nn(C)cc2[N+](=O)[O-])n1 ZINC000277899003 256253258 /nfs/dbraw/zinc/25/32/58/256253258.db2.gz LDFWDXXRPHDSTC-UHFFFAOYSA-N 1 2 367.369 2.900 20 5 FFBDLO CCc1cc(N)nc(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)[nH+]1 ZINC000279070213 256378399 /nfs/dbraw/zinc/37/83/99/256378399.db2.gz JWBYDGVLEVJUQD-JTQLQIEISA-N 1 2 361.427 2.957 20 5 FFBDLO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1c(F)cncc1F ZINC000285869337 257009005 /nfs/dbraw/zinc/00/90/05/257009005.db2.gz XZTYNWXOPYEJAK-SNVBAGLBSA-N 1 2 362.336 2.508 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOC[C@H]1CC(F)F ZINC000286269028 257028666 /nfs/dbraw/zinc/02/86/66/257028666.db2.gz BTCBYVMIGZEIAJ-CYBMUJFWSA-N 1 2 357.357 2.588 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCOC[C@H]1CC(F)F ZINC000286269028 257028667 /nfs/dbraw/zinc/02/86/67/257028667.db2.gz BTCBYVMIGZEIAJ-CYBMUJFWSA-N 1 2 357.357 2.588 20 5 FFBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000289794075 257299853 /nfs/dbraw/zinc/29/98/53/257299853.db2.gz MVYIAKVKWTZOMH-CQSZACIVSA-N 1 2 355.398 2.953 20 5 FFBDLO CC(C)(NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1[N+](=O)[O-] ZINC000292597456 257507363 /nfs/dbraw/zinc/50/73/63/257507363.db2.gz MUXGPOZYDBXWHV-AWEZNQCLSA-N 1 2 369.425 2.803 20 5 FFBDLO Cc1cc(NCCNC(=O)c2ccco2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301073849 258023349 /nfs/dbraw/zinc/02/33/49/258023349.db2.gz CRDYQSHTKGOPEE-UHFFFAOYSA-N 1 2 367.365 2.795 20 5 FFBDLO CCOC(=O)c1cc(N[C@@H]2CCN(c3cccc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000301789519 258068081 /nfs/dbraw/zinc/06/80/81/258068081.db2.gz YHJWYCSZGNZWAT-CQSZACIVSA-N 1 2 356.382 2.857 20 5 FFBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(NCCc2[nH]c3ccccc3[nH+]2)s1 ZINC000302009002 258081396 /nfs/dbraw/zinc/08/13/96/258081396.db2.gz XNKWGRSQLWTQOE-UHFFFAOYSA-N 1 2 366.424 2.591 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000330803471 258170963 /nfs/dbraw/zinc/17/09/63/258170963.db2.gz KDLNAAZVXLCWTR-DCGLDWPTSA-N 1 2 365.430 2.676 20 5 FFBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCc3cc(Br)ccc3C2)c1 ZINC000192251738 509426892 /nfs/dbraw/zinc/42/68/92/509426892.db2.gz CDOLOSBOCRZESD-UHFFFAOYSA-N 1 2 351.204 2.612 20 5 FFBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCc3cc(Br)ccc3C2)c1 ZINC000192251738 509426898 /nfs/dbraw/zinc/42/68/98/509426898.db2.gz CDOLOSBOCRZESD-UHFFFAOYSA-N 1 2 351.204 2.612 20 5 FFBDLO O=C(NC[C@@H]1Cc2ccccc2O1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032171180 506233024 /nfs/dbraw/zinc/23/30/24/506233024.db2.gz GWTDOXJRNRBTQA-HNNXBMFYSA-N 1 2 364.361 2.514 20 5 FFBDLO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000032516377 506262764 /nfs/dbraw/zinc/26/27/64/506262764.db2.gz TYMYLDMAXDDHCJ-UHFFFAOYSA-N 1 2 369.421 2.952 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000366905985 512242772 /nfs/dbraw/zinc/24/27/72/512242772.db2.gz WKBYCIMWPGOJBE-GFCCVEGCSA-N 1 2 359.386 2.748 20 5 FFBDLO O=C(C[N@@H+]1CC[C@@]2(C1)CCCOC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000375275263 512245837 /nfs/dbraw/zinc/24/58/37/512245837.db2.gz CINQVYKXHJUPIY-MRXNPFEDSA-N 1 2 353.806 2.689 20 5 FFBDLO O=C(C[N@H+]1CC[C@@]2(C1)CCCOC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000375275263 512245843 /nfs/dbraw/zinc/24/58/43/512245843.db2.gz CINQVYKXHJUPIY-MRXNPFEDSA-N 1 2 353.806 2.689 20 5 FFBDLO CCc1cc(NCCNc2ncccn2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000053560381 506405919 /nfs/dbraw/zinc/40/59/19/506405919.db2.gz NZMKNAQTVGEOSZ-UHFFFAOYSA-N 1 2 365.397 2.928 20 5 FFBDLO O=[N+]([O-])c1cccc(C[NH+]2CCN(Cc3cn4ccccc4n3)CC2)c1 ZINC000054444619 506561748 /nfs/dbraw/zinc/56/17/48/506561748.db2.gz OFGBIJJYIWMOSI-UHFFFAOYSA-N 1 2 351.410 2.560 20 5 FFBDLO O=C(CCOc1ccccc1[N+](=O)[O-])NCc1cc[nH+]c(N2CCCC2)c1 ZINC000055116189 506682133 /nfs/dbraw/zinc/68/21/33/506682133.db2.gz LUPVGAAKQKQAPW-UHFFFAOYSA-N 1 2 370.409 2.675 20 5 FFBDLO Cc1cccc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c1[N+](=O)[O-] ZINC000067656176 506964607 /nfs/dbraw/zinc/96/46/07/506964607.db2.gz HBYWJVNIHRVQMP-UHFFFAOYSA-N 1 2 355.394 2.988 20 5 FFBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)NCc1ccccc1[N+](=O)[O-] ZINC000045490492 506974505 /nfs/dbraw/zinc/97/45/05/506974505.db2.gz PEAFSGDSGHUBNH-UHFFFAOYSA-N 1 2 355.398 2.589 20 5 FFBDLO CO[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000056468538 507022471 /nfs/dbraw/zinc/02/24/71/507022471.db2.gz FGTZDYPOAVGYIG-GOSISDBHSA-N 1 2 366.377 2.898 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000016977365 507111764 /nfs/dbraw/zinc/11/17/64/507111764.db2.gz ZFJVJROUPQVTID-MRXNPFEDSA-N 1 2 354.341 2.987 20 5 FFBDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)NCc1ccc([N+](=O)[O-])cc1 ZINC000057005508 507144839 /nfs/dbraw/zinc/14/48/39/507144839.db2.gz VYUBGBXMLYGMHB-UHFFFAOYSA-N 1 2 359.773 2.895 20 5 FFBDLO COc1cccc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2[nH+]ccn2C)c1 ZINC000018237485 507146547 /nfs/dbraw/zinc/14/65/47/507146547.db2.gz QASWSULMSNAYTM-KRWDZBQOSA-N 1 2 366.377 2.856 20 5 FFBDLO O=C(CCNc1ccccc1[N+](=O)[O-])NC1CCN(c2cccc[nH+]2)CC1 ZINC000046619591 507160288 /nfs/dbraw/zinc/16/02/88/507160288.db2.gz VXJUBQPCVHPCFW-UHFFFAOYSA-N 1 2 369.425 2.577 20 5 FFBDLO CN1CC[NH+](Cc2cccc(NC(=O)c3ccccc3[N+](=O)[O-])c2)CC1 ZINC000057273894 507225591 /nfs/dbraw/zinc/22/55/91/507225591.db2.gz AUNQUDZVAIIZKJ-UHFFFAOYSA-N 1 2 354.410 2.595 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cc(C)no2)c([N+](=O)[O-])c1 ZINC000047273945 507298264 /nfs/dbraw/zinc/29/82/64/507298264.db2.gz YMUZZFBTWWSSNZ-CQSZACIVSA-N 1 2 360.370 2.675 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2cc(C)no2)c([N+](=O)[O-])c1 ZINC000047273945 507298270 /nfs/dbraw/zinc/29/82/70/507298270.db2.gz YMUZZFBTWWSSNZ-CQSZACIVSA-N 1 2 360.370 2.675 20 5 FFBDLO CC[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047743245 507387889 /nfs/dbraw/zinc/38/78/89/507387889.db2.gz DUIYTFVSLBWWEI-INIZCTEOSA-N 1 2 360.458 2.508 20 5 FFBDLO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744400 507388041 /nfs/dbraw/zinc/38/80/41/507388041.db2.gz QPBPFQDJXRVVOY-YESZJQIVSA-N 1 2 374.485 2.895 20 5 FFBDLO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1cccc(F)c1 ZINC000024820369 507440352 /nfs/dbraw/zinc/44/03/52/507440352.db2.gz MYNKQGQXVZTLFA-UHFFFAOYSA-N 1 2 361.329 2.533 20 5 FFBDLO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1cccc(F)c1 ZINC000024820369 507440355 /nfs/dbraw/zinc/44/03/55/507440355.db2.gz MYNKQGQXVZTLFA-UHFFFAOYSA-N 1 2 361.329 2.533 20 5 FFBDLO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000025529092 507508478 /nfs/dbraw/zinc/50/84/78/507508478.db2.gz ABQWIRROZKYUGR-KBPBESRZSA-N 1 2 363.414 2.505 20 5 FFBDLO CCOC(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000025529092 507508482 /nfs/dbraw/zinc/50/84/82/507508482.db2.gz ABQWIRROZKYUGR-KBPBESRZSA-N 1 2 363.414 2.505 20 5 FFBDLO COC(=O)c1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000026209011 507568367 /nfs/dbraw/zinc/56/83/67/507568367.db2.gz XAKVALWCAGUMSO-ZDUSSCGKSA-N 1 2 371.393 2.840 20 5 FFBDLO COC(=O)c1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000026209011 507568372 /nfs/dbraw/zinc/56/83/72/507568372.db2.gz XAKVALWCAGUMSO-ZDUSSCGKSA-N 1 2 371.393 2.840 20 5 FFBDLO C[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000027373212 507651702 /nfs/dbraw/zinc/65/17/02/507651702.db2.gz PEGGZDJCTXMCSJ-UHFFFAOYSA-N 1 2 365.393 2.511 20 5 FFBDLO C[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000027373212 507651707 /nfs/dbraw/zinc/65/17/07/507651707.db2.gz PEGGZDJCTXMCSJ-UHFFFAOYSA-N 1 2 365.393 2.511 20 5 FFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000027544589 507661804 /nfs/dbraw/zinc/66/18/04/507661804.db2.gz OPUQMLBWNAZFIM-KRWDZBQOSA-N 1 2 374.485 2.676 20 5 FFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000027544589 507661808 /nfs/dbraw/zinc/66/18/08/507661808.db2.gz OPUQMLBWNAZFIM-KRWDZBQOSA-N 1 2 374.485 2.676 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000028082201 507707572 /nfs/dbraw/zinc/70/75/72/507707572.db2.gz HRECTQLKPDNAFH-UHFFFAOYSA-N 1 2 358.379 2.890 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1cscn1 ZINC000063591372 507747914 /nfs/dbraw/zinc/74/79/14/507747914.db2.gz NQRKBERXEYGEDS-UHFFFAOYSA-N 1 2 350.400 2.521 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1cscn1 ZINC000063591372 507747922 /nfs/dbraw/zinc/74/79/22/507747922.db2.gz NQRKBERXEYGEDS-UHFFFAOYSA-N 1 2 350.400 2.521 20 5 FFBDLO O=C(C[NH+]1CCC([C@H](O)c2ccccc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000029475763 507778854 /nfs/dbraw/zinc/77/88/54/507778854.db2.gz QUTJKRVFWGITOF-HXUWFJFHSA-N 1 2 369.421 2.979 20 5 FFBDLO CCOc1ccccc1C(=O)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000052001461 507793401 /nfs/dbraw/zinc/79/34/01/507793401.db2.gz JHMCBWSHLYGDSM-UHFFFAOYSA-N 1 2 369.421 2.952 20 5 FFBDLO O=C(COc1ccccc1[N+](=O)[O-])NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000030656808 507811670 /nfs/dbraw/zinc/81/16/70/507811670.db2.gz RQDGRVLFDOMRRV-UHFFFAOYSA-N 1 2 366.377 2.535 20 5 FFBDLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@@H]1C ZINC000030909933 507814704 /nfs/dbraw/zinc/81/47/04/507814704.db2.gz VAVXZTXNTKKYLS-BRWVUGGUSA-N 1 2 374.485 2.658 20 5 FFBDLO C[C@@H](NC(=O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000030909945 507814841 /nfs/dbraw/zinc/81/48/41/507814841.db2.gz OQNGVBWKGFUSDC-MRXNPFEDSA-N 1 2 368.437 2.594 20 5 FFBDLO O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000078072679 507830529 /nfs/dbraw/zinc/83/05/29/507830529.db2.gz XDMWJJVDQPAVEB-QGZVFWFLSA-N 1 2 359.357 2.573 20 5 FFBDLO O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000078072679 507830532 /nfs/dbraw/zinc/83/05/32/507830532.db2.gz XDMWJJVDQPAVEB-QGZVFWFLSA-N 1 2 359.357 2.573 20 5 FFBDLO 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2.817 20 5 FFBDLO COC(=O)c1sccc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000088523135 508374541 /nfs/dbraw/zinc/37/45/41/508374541.db2.gz ZWSMPILJIYUSJH-LBPRGKRZSA-N 1 2 362.411 2.524 20 5 FFBDLO COC(=O)c1sccc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000088523135 508374544 /nfs/dbraw/zinc/37/45/44/508374544.db2.gz ZWSMPILJIYUSJH-LBPRGKRZSA-N 1 2 362.411 2.524 20 5 FFBDLO COc1ccccc1[C@H](C)NC(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605296 508378303 /nfs/dbraw/zinc/37/83/03/508378303.db2.gz OCDLXXIRTIBTOE-AWEZNQCLSA-N 1 2 369.421 2.839 20 5 FFBDLO COc1ccccc1[C@H](C)NC(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605296 508378305 /nfs/dbraw/zinc/37/83/05/508378305.db2.gz OCDLXXIRTIBTOE-AWEZNQCLSA-N 1 2 369.421 2.839 20 5 FFBDLO CC(C)c1ccc(C[N@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000157050278 508515942 /nfs/dbraw/zinc/51/59/42/508515942.db2.gz ZJCPYNYRQKCKIU-OAHLLOKOSA-N 1 2 352.456 2.870 20 5 FFBDLO CC(C)c1ccc(C[N@@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000157050278 508515944 /nfs/dbraw/zinc/51/59/44/508515944.db2.gz ZJCPYNYRQKCKIU-OAHLLOKOSA-N 1 2 352.456 2.870 20 5 FFBDLO O=C(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)NCCCc1ccccc1 ZINC000153148090 508553094 /nfs/dbraw/zinc/55/30/94/508553094.db2.gz JCEFEWHWCVVJSO-UHFFFAOYSA-N 1 2 353.422 2.702 20 5 FFBDLO O=C(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)NCCCc1ccccc1 ZINC000153148090 508553096 /nfs/dbraw/zinc/55/30/96/508553096.db2.gz JCEFEWHWCVVJSO-UHFFFAOYSA-N 1 2 353.422 2.702 20 5 FFBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC(n2cc[nH+]c2)CC1 ZINC000122574085 508556035 /nfs/dbraw/zinc/55/60/35/508556035.db2.gz ZJDGMTVRSFVSTE-UHFFFAOYSA-N 1 2 353.382 2.679 20 5 FFBDLO C[C@@H](C(=O)NCCc1ccccc1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153200015 508558031 /nfs/dbraw/zinc/55/80/31/508558031.db2.gz DMWRQUPEKQXTNX-HNNXBMFYSA-N 1 2 353.422 2.700 20 5 FFBDLO C[C@@H](C(=O)NCCc1ccccc1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153200015 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357.351 2.692 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(C)(C)c1nccs1 ZINC000118848098 508684460 /nfs/dbraw/zinc/68/44/60/508684460.db2.gz JGFHZQHBZIVTCE-UHFFFAOYSA-N 1 2 350.400 2.523 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000129815546 508768899 /nfs/dbraw/zinc/76/88/99/508768899.db2.gz ZZKGGFRVCDNWEX-CZUORRHYSA-N 1 2 357.414 2.621 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000129815546 508768902 /nfs/dbraw/zinc/76/89/02/508768902.db2.gz ZZKGGFRVCDNWEX-CZUORRHYSA-N 1 2 357.414 2.621 20 5 FFBDLO C[N@H+](CCN1C(=O)c2ccccc2C1=O)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000158982321 508776609 /nfs/dbraw/zinc/77/66/09/508776609.db2.gz IAEJVHKTPFHBRW-UHFFFAOYSA-N 1 2 373.796 2.976 20 5 FFBDLO C[N@@H+](CCN1C(=O)c2ccccc2C1=O)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000158982321 508776612 /nfs/dbraw/zinc/77/66/12/508776612.db2.gz IAEJVHKTPFHBRW-UHFFFAOYSA-N 1 2 373.796 2.976 20 5 FFBDLO Cc1ccc(CC(=O)N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000143057360 508827694 /nfs/dbraw/zinc/82/76/94/508827694.db2.gz XZHSJGMBGCDERE-UHFFFAOYSA-N 1 2 353.422 2.790 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCCc3occc3C2)c([N+](=O)[O-])c1 ZINC000367296424 512429822 /nfs/dbraw/zinc/42/98/22/512429822.db2.gz XCWKBVSIUVCXBW-LBPRGKRZSA-N 1 2 359.382 2.972 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCCc3occc3C2)c([N+](=O)[O-])c1 ZINC000367296424 512429827 /nfs/dbraw/zinc/42/98/27/512429827.db2.gz XCWKBVSIUVCXBW-LBPRGKRZSA-N 1 2 359.382 2.972 20 5 FFBDLO CC(C)[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1cccnc1 ZINC000125708133 509019449 /nfs/dbraw/zinc/01/94/49/509019449.db2.gz SFXGJKQISFMAOR-UHFFFAOYSA-N 1 2 354.410 2.790 20 5 FFBDLO CC(C)[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1cccnc1 ZINC000125708133 509019455 /nfs/dbraw/zinc/01/94/55/509019455.db2.gz SFXGJKQISFMAOR-UHFFFAOYSA-N 1 2 354.410 2.790 20 5 FFBDLO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000155800137 509073995 /nfs/dbraw/zinc/07/39/95/509073995.db2.gz AJDHMCPFPJVIRA-UHFFFAOYSA-N 1 2 361.348 2.831 20 5 FFBDLO Cc1ccc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(C)[nH+]1 ZINC000120879747 509081696 /nfs/dbraw/zinc/08/16/96/509081696.db2.gz LGSCJJPAJNHTNJ-UHFFFAOYSA-N 1 2 370.409 2.982 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCc2[nH+]ccn2CC(C)C)cc1C ZINC000182416195 509228361 /nfs/dbraw/zinc/22/83/61/509228361.db2.gz GXYQNWCAMFFTQW-UHFFFAOYSA-N 1 2 366.443 2.543 20 5 FFBDLO COc1cc(CCNc2cc(NCC3CC3)[nH+]cn2)c([N+](=O)[O-])cc1OC ZINC000179288474 509357482 /nfs/dbraw/zinc/35/74/82/509357482.db2.gz HYNXILUVYPOJGY-UHFFFAOYSA-N 1 2 373.413 2.879 20 5 FFBDLO COc1cc(CCNc2cc(NCC3CC3)nc[nH+]2)c([N+](=O)[O-])cc1OC ZINC000179288474 509357494 /nfs/dbraw/zinc/35/74/94/509357494.db2.gz HYNXILUVYPOJGY-UHFFFAOYSA-N 1 2 373.413 2.879 20 5 FFBDLO COc1cccc2c1CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C2 ZINC000182686869 509371352 /nfs/dbraw/zinc/37/13/52/509371352.db2.gz MXEJXMGGLINLPS-UHFFFAOYSA-N 1 2 355.394 2.909 20 5 FFBDLO COc1cccc2c1CC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C2 ZINC000182686869 509371356 /nfs/dbraw/zinc/37/13/56/509371356.db2.gz MXEJXMGGLINLPS-UHFFFAOYSA-N 1 2 355.394 2.909 20 5 FFBDLO Cc1cc[nH+]c(N2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)c1 ZINC000166073163 509594699 /nfs/dbraw/zinc/59/46/99/509594699.db2.gz JJDQECXHVCFIBE-UHFFFAOYSA-N 1 2 353.382 2.762 20 5 FFBDLO COC(=O)c1cc(F)ccc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173467989 509618850 /nfs/dbraw/zinc/61/88/50/509618850.db2.gz FHXWRJXYZRTHHD-AWEZNQCLSA-N 1 2 374.372 2.602 20 5 FFBDLO COC(=O)c1cc(F)ccc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173467989 509618860 /nfs/dbraw/zinc/61/88/60/509618860.db2.gz FHXWRJXYZRTHHD-AWEZNQCLSA-N 1 2 374.372 2.602 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000193044238 509750747 /nfs/dbraw/zinc/75/07/47/509750747.db2.gz OOVMMIQDHKCIHB-SFHVURJKSA-N 1 2 369.421 2.707 20 5 FFBDLO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc([N+](=O)[O-])c1F ZINC000180107281 509756626 /nfs/dbraw/zinc/75/66/26/509756626.db2.gz FYNZHUUGSYLZLJ-GFCCVEGCSA-N 1 2 368.390 2.681 20 5 FFBDLO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCC(n2cc[nH+]c2)CC1 ZINC000268188366 509804718 /nfs/dbraw/zinc/80/47/18/509804718.db2.gz WILPGEANYRHJPU-UHFFFAOYSA-N 1 2 363.805 2.991 20 5 FFBDLO CCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000251222972 509806817 /nfs/dbraw/zinc/80/68/17/509806817.db2.gz NJWHGPMGJAEUNF-TZMCWYRMSA-N 1 2 373.413 2.696 20 5 FFBDLO CCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000251222972 509806821 /nfs/dbraw/zinc/80/68/21/509806821.db2.gz NJWHGPMGJAEUNF-TZMCWYRMSA-N 1 2 373.413 2.696 20 5 FFBDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@H]1C ZINC000251927266 509827615 /nfs/dbraw/zinc/82/76/15/509827615.db2.gz VAVXZTXNTKKYLS-IKGGRYGDSA-N 1 2 374.485 2.658 20 5 FFBDLO CCc1c[nH+]ccc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000265046459 509836886 /nfs/dbraw/zinc/83/68/86/509836886.db2.gz XOYCCKYRAGGCRN-LBPRGKRZSA-N 1 2 372.356 2.683 20 5 FFBDLO C[NH+](C)[C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])c1c(F)cccc1F ZINC000183594827 509877785 /nfs/dbraw/zinc/87/77/85/509877785.db2.gz UEKXNIMWZSPDCN-AWEZNQCLSA-N 1 2 365.340 2.692 20 5 FFBDLO O=C(NCc1ccco1)[C@H]1CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255660798 509931835 /nfs/dbraw/zinc/93/18/35/509931835.db2.gz CCVKMLVLCNXQFB-BKSIFSGMSA-N 1 2 355.394 2.982 20 5 FFBDLO O=C(NCc1ccco1)[C@H]1CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255660798 509931840 /nfs/dbraw/zinc/93/18/40/509931840.db2.gz CCVKMLVLCNXQFB-BKSIFSGMSA-N 1 2 355.394 2.982 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1CN1CC[NH+](Cc2cccnc2)CC1 ZINC000180460936 509935856 /nfs/dbraw/zinc/93/58/56/509935856.db2.gz FEPZEJZDFTVLGS-UHFFFAOYSA-N 1 2 356.426 2.706 20 5 FFBDLO O=C(C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000193578154 509972425 /nfs/dbraw/zinc/97/24/25/509972425.db2.gz UNVIXYYPDDTGBI-NSHDSACASA-N 1 2 363.805 2.789 20 5 FFBDLO O=C(C[N@H+]1CCC[C@H](c2cc[nH]n2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000193578154 509972434 /nfs/dbraw/zinc/97/24/34/509972434.db2.gz UNVIXYYPDDTGBI-NSHDSACASA-N 1 2 363.805 2.789 20 5 FFBDLO Cc1nn(CCC(=O)Nc2cccc(-n3cc[nH+]c3)c2)c(C)c1[N+](=O)[O-] ZINC000171435567 510157659 /nfs/dbraw/zinc/15/76/59/510157659.db2.gz ZOTAELPDCTVIAX-UHFFFAOYSA-N 1 2 354.370 2.623 20 5 FFBDLO COc1ccc([C@@H](CO)[N@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])cc1 ZINC000184215194 510197197 /nfs/dbraw/zinc/19/71/97/510197197.db2.gz JZZPCZVYPCMKOP-QGZVFWFLSA-N 1 2 364.373 2.917 20 5 FFBDLO COc1ccc([C@@H](CO)[N@@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])cc1 ZINC000184215194 510197199 /nfs/dbraw/zinc/19/71/99/510197199.db2.gz JZZPCZVYPCMKOP-QGZVFWFLSA-N 1 2 364.373 2.917 20 5 FFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000174749076 510290059 /nfs/dbraw/zinc/29/00/59/510290059.db2.gz ZHJXVTUETATOTL-YMTOWFKASA-N 1 2 372.303 2.705 20 5 FFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000174749076 510290067 /nfs/dbraw/zinc/29/00/67/510290067.db2.gz ZHJXVTUETATOTL-YMTOWFKASA-N 1 2 372.303 2.705 20 5 FFBDLO COCc1cc([N+](=O)[O-])ccc1NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000266005196 510354637 /nfs/dbraw/zinc/35/46/37/510354637.db2.gz LTAWCKSPAVCUFV-CQSZACIVSA-N 1 2 372.425 2.973 20 5 FFBDLO CCOc1ccc(NC(=O)C[NH2+][C@@H](COC)c2ccco2)c([N+](=O)[O-])c1 ZINC000184606160 510414036 /nfs/dbraw/zinc/41/40/36/510414036.db2.gz PUEQQZPOPROEFL-AWEZNQCLSA-N 1 2 363.370 2.502 20 5 FFBDLO C[C@H]1C[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1c1ccccc1 ZINC000174984187 510420206 /nfs/dbraw/zinc/42/02/06/510420206.db2.gz HVGGYGGATQNMIJ-BUXKBTBVSA-N 1 2 369.377 2.955 20 5 FFBDLO C[C@H]1C[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1c1ccccc1 ZINC000174984187 510420213 /nfs/dbraw/zinc/42/02/13/510420213.db2.gz HVGGYGGATQNMIJ-BUXKBTBVSA-N 1 2 369.377 2.955 20 5 FFBDLO COc1cc(NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000266129347 510423440 /nfs/dbraw/zinc/42/34/40/510423440.db2.gz NZNQZRHNOAMKCS-CYBMUJFWSA-N 1 2 358.398 2.836 20 5 FFBDLO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000269510050 510441749 /nfs/dbraw/zinc/44/17/49/510441749.db2.gz WSWHUCNSQTVAOV-CYBMUJFWSA-N 1 2 368.821 2.577 20 5 FFBDLO O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181514758 510448740 /nfs/dbraw/zinc/44/87/40/510448740.db2.gz ZJTPRCXHSLFBOV-UHFFFAOYSA-N 1 2 352.306 2.966 20 5 FFBDLO C[N@@H+](Cc1nccn1CC(F)(F)F)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269659495 510502397 /nfs/dbraw/zinc/50/23/97/510502397.db2.gz PWZLLTSVHHHVNU-ZDUSSCGKSA-N 1 2 358.320 2.519 20 5 FFBDLO C[N@H+](Cc1nccn1CC(F)(F)F)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269659495 510502401 /nfs/dbraw/zinc/50/24/01/510502401.db2.gz PWZLLTSVHHHVNU-ZDUSSCGKSA-N 1 2 358.320 2.519 20 5 FFBDLO Cc1nn(C)c(N2CC[NH+](Cc3nc4ccccc4s3)CC2)c1[N+](=O)[O-] ZINC000269746370 510535355 /nfs/dbraw/zinc/53/53/55/510535355.db2.gz NWRSJJHDEPHWNT-UHFFFAOYSA-N 1 2 372.454 2.569 20 5 FFBDLO Cc1ccc(C[N@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000181728898 510562544 /nfs/dbraw/zinc/56/25/44/510562544.db2.gz UQIXKSKMAVWOBC-UHFFFAOYSA-N 1 2 354.453 2.870 20 5 FFBDLO Cc1ccc(C[N@@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000181728898 510562552 /nfs/dbraw/zinc/56/25/52/510562552.db2.gz UQIXKSKMAVWOBC-UHFFFAOYSA-N 1 2 354.453 2.870 20 5 FFBDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000270108361 510679643 /nfs/dbraw/zinc/67/96/43/510679643.db2.gz MRRJSKUTCKKRCV-CYBMUJFWSA-N 1 2 353.382 2.886 20 5 FFBDLO O=C(CC[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000185194492 510741276 /nfs/dbraw/zinc/74/12/76/510741276.db2.gz RVNSPJURMKDTEG-GFCCVEGCSA-N 1 2 361.377 2.665 20 5 FFBDLO O=C(CC[N@H+]1CCC[C@@H](c2ccn[nH]2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000185194492 510741285 /nfs/dbraw/zinc/74/12/85/510741285.db2.gz RVNSPJURMKDTEG-GFCCVEGCSA-N 1 2 361.377 2.665 20 5 FFBDLO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1nc(C(C)(C)C)no1 ZINC000185195313 510742033 /nfs/dbraw/zinc/74/20/33/510742033.db2.gz VLQWHKGBDZNNCM-SMDDNHRTSA-N 1 2 373.413 2.731 20 5 FFBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC(n2cc[nH+]c2)CC1 ZINC000263657595 510772924 /nfs/dbraw/zinc/77/29/24/510772924.db2.gz BWGLRHSPXVWYIK-UHFFFAOYSA-N 1 2 353.382 2.610 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178834393 510796254 /nfs/dbraw/zinc/79/62/54/510796254.db2.gz RUUCMTFHHDCULA-OLZOCXBDSA-N 1 2 363.414 2.585 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178834393 510796257 /nfs/dbraw/zinc/79/62/57/510796257.db2.gz RUUCMTFHHDCULA-OLZOCXBDSA-N 1 2 363.414 2.585 20 5 FFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178837107 510798213 /nfs/dbraw/zinc/79/82/13/510798213.db2.gz WTGSEYYDUPIKLY-STQMWFEESA-N 1 2 363.414 2.585 20 5 FFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178837107 510798222 /nfs/dbraw/zinc/79/82/22/510798222.db2.gz WTGSEYYDUPIKLY-STQMWFEESA-N 1 2 363.414 2.585 20 5 FFBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc2[nH+]c(N(C)C)ccc2c1 ZINC000195354636 510799220 /nfs/dbraw/zinc/79/92/20/510799220.db2.gz RDOBIGMQISILRR-UHFFFAOYSA-N 1 2 368.397 2.743 20 5 FFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000247444683 510861103 /nfs/dbraw/zinc/86/11/03/510861103.db2.gz SGYYBNGNVSJRMN-UHOFOFEASA-N 1 2 374.397 2.586 20 5 FFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000247444683 510861104 /nfs/dbraw/zinc/86/11/04/510861104.db2.gz SGYYBNGNVSJRMN-UHOFOFEASA-N 1 2 374.397 2.586 20 5 FFBDLO O=C(C[NH+]1CCC(c2cn[nH]c2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000364632925 510983230 /nfs/dbraw/zinc/98/32/30/510983230.db2.gz VBNOPEOSGSRFQY-UHFFFAOYSA-N 1 2 363.805 2.789 20 5 FFBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CCS(=O)(=O)Cc1ccccc1 ZINC000282486905 510997366 /nfs/dbraw/zinc/99/73/66/510997366.db2.gz PKBSHWPZMKGDKW-UHFFFAOYSA-N 1 2 362.451 2.684 20 5 FFBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CCS(=O)(=O)Cc1ccccc1 ZINC000282486905 510997369 /nfs/dbraw/zinc/99/73/69/510997369.db2.gz PKBSHWPZMKGDKW-UHFFFAOYSA-N 1 2 362.451 2.684 20 5 FFBDLO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000364763632 511068241 /nfs/dbraw/zinc/06/82/41/511068241.db2.gz OZQHEFLGEHOQIG-MRXNPFEDSA-N 1 2 366.381 2.871 20 5 FFBDLO Nc1ccc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1[N+](=O)[O-] ZINC000279449389 511086500 /nfs/dbraw/zinc/08/65/00/511086500.db2.gz DGMGKXFVZVTEPP-UHFFFAOYSA-N 1 2 369.425 2.730 20 5 FFBDLO O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000294685245 511143093 /nfs/dbraw/zinc/14/30/93/511143093.db2.gz SVMHWMLVPPACAH-LBPRGKRZSA-N 1 2 372.347 2.650 20 5 FFBDLO O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000294685245 511143099 /nfs/dbraw/zinc/14/30/99/511143099.db2.gz SVMHWMLVPPACAH-LBPRGKRZSA-N 1 2 372.347 2.650 20 5 FFBDLO C[C@@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1[N+](=O)[O-] ZINC000271690632 511289113 /nfs/dbraw/zinc/28/91/13/511289113.db2.gz ISCCKZIVGDPSSW-BEFAXECRSA-N 1 2 369.421 2.673 20 5 FFBDLO C[C@@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1[N+](=O)[O-] ZINC000271690632 511289118 /nfs/dbraw/zinc/28/91/18/511289118.db2.gz ISCCKZIVGDPSSW-BEFAXECRSA-N 1 2 369.421 2.673 20 5 FFBDLO COc1cc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])cc1F ZINC000295192884 511316110 /nfs/dbraw/zinc/31/61/10/511316110.db2.gz VDVWHLNLLOVEIG-XHDPSFHLSA-N 1 2 362.361 2.662 20 5 FFBDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)CCO2 ZINC000280251180 511391544 /nfs/dbraw/zinc/39/15/44/511391544.db2.gz BYUZNGKUAOWMFP-SCLBCKFNSA-N 1 2 359.382 2.630 20 5 FFBDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)CCO2 ZINC000280251180 511391550 /nfs/dbraw/zinc/39/15/50/511391550.db2.gz BYUZNGKUAOWMFP-SCLBCKFNSA-N 1 2 359.382 2.630 20 5 FFBDLO CC(=O)c1cc(N2CC[NH+](Cc3c(C)noc3C)CC2)ccc1[N+](=O)[O-] ZINC000283552650 511412389 /nfs/dbraw/zinc/41/23/89/511412389.db2.gz MRUPZUYUQLSRFZ-UHFFFAOYSA-N 1 2 358.398 2.724 20 5 FFBDLO Cc1cc(F)c(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000283859092 511524095 /nfs/dbraw/zinc/52/40/95/511524095.db2.gz HVRQGGBRVNRSNJ-GFCCVEGCSA-N 1 2 359.361 2.838 20 5 FFBDLO C[C@H]1C[C@H](CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000273553606 511530946 /nfs/dbraw/zinc/53/09/46/511530946.db2.gz MMGNOLVODZAIAJ-UONOGXRCSA-N 1 2 358.398 2.716 20 5 FFBDLO CC(C)[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000296035521 511597144 /nfs/dbraw/zinc/59/71/44/511597144.db2.gz NVTQTPNOOPCIHK-NSHDSACASA-N 1 2 358.807 2.647 20 5 FFBDLO COc1cc[nH+]cc1CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000292596028 511655598 /nfs/dbraw/zinc/65/55/98/511655598.db2.gz GWYZNQGWRZYBAC-UHFFFAOYSA-N 1 2 358.398 2.821 20 5 FFBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000281744525 511951780 /nfs/dbraw/zinc/95/17/80/511951780.db2.gz JMJHAPDLFWDCAX-INIZCTEOSA-N 1 2 358.398 2.944 20 5 FFBDLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000366315651 511955060 /nfs/dbraw/zinc/95/50/60/511955060.db2.gz RWIZWXBVIFXCGA-ZDUSSCGKSA-N 1 2 363.377 2.667 20 5 FFBDLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000366315651 511955067 /nfs/dbraw/zinc/95/50/67/511955067.db2.gz RWIZWXBVIFXCGA-ZDUSSCGKSA-N 1 2 363.377 2.667 20 5 FFBDLO CC(C)Oc1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000411142123 512487340 /nfs/dbraw/zinc/48/73/40/512487340.db2.gz JVSYGOUTCCDMBF-UHFFFAOYSA-N 1 2 370.409 2.739 20 5 FFBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000375948141 512583916 /nfs/dbraw/zinc/58/39/16/512583916.db2.gz NPUKVLAUWQLHKO-UHFFFAOYSA-N 1 2 367.409 2.810 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000378262318 512663679 /nfs/dbraw/zinc/66/36/79/512663679.db2.gz DLYUNPWFQUBOJE-SNVBAGLBSA-N 1 2 368.315 2.977 20 5 FFBDLO CC(C)[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000411520845 512672490 /nfs/dbraw/zinc/67/24/90/512672490.db2.gz RMODXCZQKOTYCT-INIZCTEOSA-N 1 2 365.430 2.879 20 5 FFBDLO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000378406624 512744034 /nfs/dbraw/zinc/74/40/34/512744034.db2.gz GONUJGZDWGGMQV-AWEZNQCLSA-N 1 2 353.338 2.549 20 5 FFBDLO CS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000411789346 512812515 /nfs/dbraw/zinc/81/25/15/512812515.db2.gz NGDVPZRAXGQJFP-AWEZNQCLSA-N 1 2 364.423 2.971 20 5 FFBDLO CS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000411789346 512812519 /nfs/dbraw/zinc/81/25/19/512812519.db2.gz NGDVPZRAXGQJFP-AWEZNQCLSA-N 1 2 364.423 2.971 20 5 FFBDLO C[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000396350373 512940979 /nfs/dbraw/zinc/94/09/79/512940979.db2.gz DSNKZWCVRCZRMF-CQSZACIVSA-N 1 2 355.394 2.647 20 5 FFBDLO C[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000396350373 512940982 /nfs/dbraw/zinc/94/09/82/512940982.db2.gz DSNKZWCVRCZRMF-CQSZACIVSA-N 1 2 355.394 2.647 20 5 FFBDLO Cc1cn2c([nH+]1)CN([C@@H](C)c1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000374709162 512965535 /nfs/dbraw/zinc/96/55/35/512965535.db2.gz GJNGVGJMGVROBA-LBPRGKRZSA-N 1 2 354.370 2.727 20 5 FFBDLO Cc1cn2c([nH+]1)CN([C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000374708956 512965973 /nfs/dbraw/zinc/96/59/73/512965973.db2.gz DTLVMKMAVPATAX-NSHDSACASA-N 1 2 363.805 2.596 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)c1F ZINC000412280862 513022462 /nfs/dbraw/zinc/02/24/62/513022462.db2.gz MSAJVLAVRQJSNL-OAHLLOKOSA-N 1 2 350.350 2.522 20 5 FFBDLO CC(C)Oc1cc(C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)ccc1[N+](=O)[O-] ZINC000412336794 513043488 /nfs/dbraw/zinc/04/34/88/513043488.db2.gz PJKMFSPZQMOENY-INIZCTEOSA-N 1 2 358.398 2.997 20 5 FFBDLO CO[C@@](C)([C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000412620459 513192971 /nfs/dbraw/zinc/19/29/71/513192971.db2.gz VEXBBIIJIMUZIR-SGTLLEGYSA-N 1 2 358.398 2.714 20 5 FFBDLO C[C@H]1C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)Cc2ccccc2O1 ZINC000429171313 513296133 /nfs/dbraw/zinc/29/61/33/513296133.db2.gz NECUSKRWIYEJMV-KBXCAEBGSA-N 1 2 367.405 2.983 20 5 FFBDLO C[C@H]1C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)Cc2ccccc2O1 ZINC000429171313 513296137 /nfs/dbraw/zinc/29/61/37/513296137.db2.gz NECUSKRWIYEJMV-KBXCAEBGSA-N 1 2 367.405 2.983 20 5 FFBDLO CC(C)c1ncc(C[N@H+](C)[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cn1 ZINC000440471846 513327212 /nfs/dbraw/zinc/32/72/12/513327212.db2.gz VTDKBKHUEZCKFX-QGZVFWFLSA-N 1 2 369.425 2.746 20 5 FFBDLO CC(C)c1ncc(C[N@@H+](C)[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cn1 ZINC000440471846 513327215 /nfs/dbraw/zinc/32/72/15/513327215.db2.gz VTDKBKHUEZCKFX-QGZVFWFLSA-N 1 2 369.425 2.746 20 5 FFBDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000440639225 513368959 /nfs/dbraw/zinc/36/89/59/513368959.db2.gz NUYBLIDJFNHLJV-KRWDZBQOSA-N 1 2 353.394 2.634 20 5 FFBDLO CN(CCc1ccccn1)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447801522 513573414 /nfs/dbraw/zinc/57/34/14/513573414.db2.gz CSDMKXGEYLRVPB-UHFFFAOYSA-N 1 2 356.426 2.501 20 5 FFBDLO COCCC(C)(C)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447815620 513579380 /nfs/dbraw/zinc/57/93/80/513579380.db2.gz GXHBZJXDYMJPLS-UHFFFAOYSA-N 1 2 351.447 2.902 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@@H]1Cc2ccccc2O1 ZINC000447818676 513581925 /nfs/dbraw/zinc/58/19/25/513581925.db2.gz UPPROXOMTPVGAY-KRWDZBQOSA-N 1 2 369.421 2.843 20 5 FFBDLO C[C@@H](O)CNc1cc(N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nc[nH+]1 ZINC000413308309 513583980 /nfs/dbraw/zinc/58/39/80/513583980.db2.gz CPIZCZHBVCCJQA-UKRRQHHQSA-N 1 2 357.414 2.562 20 5 FFBDLO C[C@@H](O)CNc1cc(N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)[nH+]cn1 ZINC000413308309 513583988 /nfs/dbraw/zinc/58/39/88/513583988.db2.gz CPIZCZHBVCCJQA-UKRRQHHQSA-N 1 2 357.414 2.562 20 5 FFBDLO COCCOC1(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000413326268 513594102 /nfs/dbraw/zinc/59/41/02/513594102.db2.gz LEYGNRINCGAOQY-UHFFFAOYSA-N 1 2 361.398 2.767 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000447846879 513596859 /nfs/dbraw/zinc/59/68/59/513596859.db2.gz XZDJWFVCMRYITC-IYOUNJFTSA-N 1 2 350.415 2.762 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000447846879 513596862 /nfs/dbraw/zinc/59/68/62/513596862.db2.gz XZDJWFVCMRYITC-IYOUNJFTSA-N 1 2 350.415 2.762 20 5 FFBDLO O=C(N[C@H](CO)CC1CCCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000416330380 513713997 /nfs/dbraw/zinc/71/39/97/513713997.db2.gz FICIAFQCZAKFDK-INIZCTEOSA-N 1 2 372.425 2.842 20 5 FFBDLO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3nnnn3-c3ccccc3)C2)cc1 ZINC000451575108 513844178 /nfs/dbraw/zinc/84/41/78/513844178.db2.gz RYVFBOIGKIVPQU-MRXNPFEDSA-N 1 2 364.409 2.950 20 5 FFBDLO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3nnnn3-c3ccccc3)C2)cc1 ZINC000451575108 513844186 /nfs/dbraw/zinc/84/41/86/513844186.db2.gz RYVFBOIGKIVPQU-MRXNPFEDSA-N 1 2 364.409 2.950 20 5 FFBDLO CC[C@H](NC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000443104323 513872838 /nfs/dbraw/zinc/87/28/38/513872838.db2.gz AGZMGMOURVBSQH-LBPRGKRZSA-N 1 2 364.427 2.827 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2cc3cccnc3o2)CC1 ZINC000449027114 514036752 /nfs/dbraw/zinc/03/67/52/514036752.db2.gz HJDLCLYFXKPEIB-UHFFFAOYSA-N 1 2 366.377 2.694 20 5 FFBDLO Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n(-c2cc[nH+]cc2)n1 ZINC000437317565 514139787 /nfs/dbraw/zinc/13/97/87/514139787.db2.gz UEHZHOHIBQYYTD-UHFFFAOYSA-N 1 2 373.394 2.593 20 5 FFBDLO C[S@@](=O)C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000444677791 514291189 /nfs/dbraw/zinc/29/11/89/514291189.db2.gz VDWZFBXFYVIIDW-PUAOIOHZSA-N 1 2 358.423 2.681 20 5 FFBDLO CCOC(=O)c1cc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1[N+](=O)[O-] ZINC000432944512 514331997 /nfs/dbraw/zinc/33/19/97/514331997.db2.gz NEJWECIKULPWQS-OAHLLOKOSA-N 1 2 357.366 2.824 20 5 FFBDLO Cc1c(CC(=O)NCc2cccc(-n3cc[nH+]c3)c2)cccc1[N+](=O)[O-] ZINC000438834127 514450556 /nfs/dbraw/zinc/45/05/56/514450556.db2.gz JGBOOIKAZAXIOW-UHFFFAOYSA-N 1 2 350.378 2.948 20 5 FFBDLO CC(C)Cn1cc[nH+]c1CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000449987131 514454744 /nfs/dbraw/zinc/45/47/44/514454744.db2.gz PYTRAIPQZVXCDY-UHFFFAOYSA-N 1 2 368.397 2.767 20 5 FFBDLO O=C(NCC1(CCO)CCCCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450157900 514513134 /nfs/dbraw/zinc/51/31/34/514513134.db2.gz AFDUIBIPGXPCAM-UHFFFAOYSA-N 1 2 372.425 2.843 20 5 FFBDLO CC(C)[C@H](CO)[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)C ZINC000452914955 514551131 /nfs/dbraw/zinc/55/11/31/514551131.db2.gz IQTNOLWJEGVADL-YJBOKZPZSA-N 1 2 374.441 2.799 20 5 FFBDLO COCCC(=O)N1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000475153327 514574232 /nfs/dbraw/zinc/57/42/32/514574232.db2.gz GKFCUHWHTVQPGK-UHFFFAOYSA-N 1 2 373.409 2.536 20 5 FFBDLO CCOc1cc(N2CC[NH+](Cc3ccc(OC)nc3)CC2)ccc1[N+](=O)[O-] ZINC000475483719 514681855 /nfs/dbraw/zinc/68/18/55/514681855.db2.gz AGTWFPJYRXBLBQ-UHFFFAOYSA-N 1 2 372.425 2.719 20 5 FFBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000453582683 514701218 /nfs/dbraw/zinc/70/12/18/514701218.db2.gz XABCQNUQPPCTPA-UHFFFAOYSA-N 1 2 370.438 2.764 20 5 FFBDLO COC(=O)COc1ccc(C[N@H+](C)Cc2cnc(C)s2)cc1[N+](=O)[O-] ZINC000475583530 514720868 /nfs/dbraw/zinc/72/08/68/514720868.db2.gz QKURLBYGYFGDHA-UHFFFAOYSA-N 1 2 365.411 2.544 20 5 FFBDLO COC(=O)COc1ccc(C[N@@H+](C)Cc2cnc(C)s2)cc1[N+](=O)[O-] ZINC000475583530 514720878 /nfs/dbraw/zinc/72/08/78/514720878.db2.gz QKURLBYGYFGDHA-UHFFFAOYSA-N 1 2 365.411 2.544 20 5 FFBDLO CC(C)Cc1nnc(NC(=O)C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000485044903 514888322 /nfs/dbraw/zinc/88/83/22/514888322.db2.gz XANLWISHHCSRAL-UHFFFAOYSA-N 1 2 363.443 2.715 20 5 FFBDLO CC(C)Cc1nnc(NC(=O)C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000485044903 514888331 /nfs/dbraw/zinc/88/83/31/514888331.db2.gz XANLWISHHCSRAL-UHFFFAOYSA-N 1 2 363.443 2.715 20 5 FFBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000456041989 514919391 /nfs/dbraw/zinc/91/93/91/514919391.db2.gz SPPJIFYUORSVTB-AWEZNQCLSA-N 1 2 358.402 2.615 20 5 FFBDLO O=C1CC[C@@H]2C[N@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)CC[C@@H]2N1C1CC1 ZINC000509006589 514985924 /nfs/dbraw/zinc/98/59/24/514985924.db2.gz KRJMVVKFXWPTHX-DIFFPNOSSA-N 1 2 365.380 2.848 20 5 FFBDLO O=C1CC[C@@H]2C[N@@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)CC[C@@H]2N1C1CC1 ZINC000509006589 514985934 /nfs/dbraw/zinc/98/59/34/514985934.db2.gz KRJMVVKFXWPTHX-DIFFPNOSSA-N 1 2 365.380 2.848 20 5 FFBDLO CN(CC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485420479 515035127 /nfs/dbraw/zinc/03/51/27/515035127.db2.gz XEGYEQKSPXUHCI-UHFFFAOYSA-N 1 2 360.389 2.564 20 5 FFBDLO COc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(F)c1 ZINC000467568962 515051220 /nfs/dbraw/zinc/05/12/20/515051220.db2.gz WJQWVPBWAJPADL-UHFFFAOYSA-N 1 2 370.340 2.858 20 5 FFBDLO C[C@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000462486004 515078123 /nfs/dbraw/zinc/07/81/23/515078123.db2.gz PADWHQOPFBXHFZ-CQSZACIVSA-N 1 2 353.382 2.688 20 5 FFBDLO C[C@H]1C[C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000456402656 515160828 /nfs/dbraw/zinc/16/08/28/515160828.db2.gz FLCFLGZZADYXJK-WPRPVWTQSA-N 1 2 352.297 2.829 20 5 FFBDLO CCc1c[nH+]ccc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000509739048 515308494 /nfs/dbraw/zinc/30/84/94/515308494.db2.gz FYNHUNQIKBLXFN-UHFFFAOYSA-N 1 2 354.410 2.829 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccn(C4CCCC4)n3)C2)nc1 ZINC000477763989 515584399 /nfs/dbraw/zinc/58/43/99/515584399.db2.gz MTZXFSDIGIEPQV-AWEZNQCLSA-N 1 2 356.430 2.988 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccn(C4CCCC4)n3)C2)nc1 ZINC000477763989 515584403 /nfs/dbraw/zinc/58/44/03/515584403.db2.gz MTZXFSDIGIEPQV-AWEZNQCLSA-N 1 2 356.430 2.988 20 5 FFBDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000493462760 515634742 /nfs/dbraw/zinc/63/47/42/515634742.db2.gz SKVUJFNDPAMBGR-SECBINFHSA-N 1 2 354.288 2.624 20 5 FFBDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000493462760 515634748 /nfs/dbraw/zinc/63/47/48/515634748.db2.gz SKVUJFNDPAMBGR-SECBINFHSA-N 1 2 354.288 2.624 20 5 FFBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000469038366 515641345 /nfs/dbraw/zinc/64/13/45/515641345.db2.gz URJIIGWPNMPHIM-CQSZACIVSA-N 1 2 363.458 2.685 20 5 FFBDLO CC1(C)C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000457158188 515694260 /nfs/dbraw/zinc/69/42/60/515694260.db2.gz NFBCWXVFLQZKMK-ZDUSSCGKSA-N 1 2 358.398 2.716 20 5 FFBDLO O=C(NCCc1[nH]cc[nH+]1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000469250314 515740846 /nfs/dbraw/zinc/74/08/46/515740846.db2.gz JIDVCCLABJSJFA-UHFFFAOYSA-N 1 2 365.393 2.903 20 5 FFBDLO Cc1cc[nH+]cc1N1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000500653323 515803692 /nfs/dbraw/zinc/80/36/92/515803692.db2.gz JZWLHFIHLQLDHD-UHFFFAOYSA-N 1 2 372.450 2.739 20 5 FFBDLO COc1c(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)cccc1[N+](=O)[O-] ZINC000474199967 515931247 /nfs/dbraw/zinc/93/12/47/515931247.db2.gz SEJHBOCILDQZAF-UHFFFAOYSA-N 1 2 369.421 2.870 20 5 FFBDLO O=C(NCCNc1ccc2ccccc2[nH+]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000469733547 515942787 /nfs/dbraw/zinc/94/27/87/515942787.db2.gz KEZZHCHYAPCSHW-UHFFFAOYSA-N 1 2 354.341 2.546 20 5 FFBDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506736969 515968209 /nfs/dbraw/zinc/96/82/09/515968209.db2.gz KVQIGPJZHRPICF-UHFFFAOYSA-N 1 2 366.377 2.817 20 5 FFBDLO 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ZINC000549168994 517435911 /nfs/dbraw/zinc/43/59/11/517435911.db2.gz QTVUKKJSTCABGA-UHFFFAOYSA-N 1 2 366.414 2.682 20 5 FFBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCN(Cc3[nH]cc[nH+]3)CC2)c1 ZINC000549446624 517569823 /nfs/dbraw/zinc/56/98/23/517569823.db2.gz VRAHJLJHENIGRS-UHFFFAOYSA-N 1 2 369.347 2.655 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2cn3ccccc3[nH+]2)c1 ZINC000538407514 517608055 /nfs/dbraw/zinc/60/80/55/517608055.db2.gz CZOZVVRIQZYMDZ-UHFFFAOYSA-N 1 2 354.366 2.636 20 5 FFBDLO Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c(C)c[nH+]1 ZINC000534299795 517836681 /nfs/dbraw/zinc/83/66/81/517836681.db2.gz DEBRBBNZWDOUAX-UHFFFAOYSA-N 1 2 364.199 2.972 20 5 FFBDLO Cc1nc2ccccn2c1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000534327289 517854515 /nfs/dbraw/zinc/85/45/15/517854515.db2.gz DLPAWNJYCNWHKI-UHFFFAOYSA-N 1 2 351.410 2.873 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2cn3c(cccc3C)[nH+]2)c1 ZINC000539529631 518091154 /nfs/dbraw/zinc/09/11/54/518091154.db2.gz PUDDAYBSXBCQGK-UHFFFAOYSA-N 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ZINC000589501170 519019316 /nfs/dbraw/zinc/01/93/16/519019316.db2.gz BQURMNALFMHFIQ-MRXNPFEDSA-N 1 2 358.398 2.624 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC3(C2)Oc2ccccc2O3)c1 ZINC000589517027 519024233 /nfs/dbraw/zinc/02/42/33/519024233.db2.gz LJSKNXFOBAHTQF-UHFFFAOYSA-N 1 2 370.361 2.755 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC3(C2)Oc2ccccc2O3)c1 ZINC000589517027 519024240 /nfs/dbraw/zinc/02/42/40/519024240.db2.gz LJSKNXFOBAHTQF-UHFFFAOYSA-N 1 2 370.361 2.755 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@@H]2[C@H]1[C@H]2C(F)(F)F ZINC000590674347 519310775 /nfs/dbraw/zinc/31/07/75/519310775.db2.gz PBJKOQVNMZSGEU-BPNCWPANSA-N 1 2 366.299 2.803 20 5 FFBDLO Cc1nc(C[N@@H+]2CCCN(c3ncc([N+](=O)[O-])cc3F)CC2)cs1 ZINC000569088216 519370979 /nfs/dbraw/zinc/37/09/79/519370979.db2.gz QCQONOOHQVNVGP-UHFFFAOYSA-N 1 2 351.407 2.606 20 5 FFBDLO Cc1nc(C[N@H+]2CCCN(c3ncc([N+](=O)[O-])cc3F)CC2)cs1 ZINC000569088216 519370982 /nfs/dbraw/zinc/37/09/82/519370982.db2.gz 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CCOc1ccc(C(=O)NCc2ccc[nH+]c2N2CCCC2)cc1[N+](=O)[O-] ZINC000597941346 520341098 /nfs/dbraw/zinc/34/10/98/520341098.db2.gz OKUSXWFGESXLGZ-UHFFFAOYSA-N 1 2 370.409 2.919 20 5 FFBDLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)[C@@H]1C ZINC000603681387 520341807 /nfs/dbraw/zinc/34/18/07/520341807.db2.gz BPPRTVZTWJEMMN-GPMSIDNRSA-N 1 2 374.485 2.658 20 5 FFBDLO C[C@H]1C[N@H+](CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H](C)CO1 ZINC000597995043 520366022 /nfs/dbraw/zinc/36/60/22/520366022.db2.gz DNTBVAPXTATFQB-RYUDHWBXSA-N 1 2 363.439 2.649 20 5 FFBDLO C[C@H]1C[N@@H+](CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H](C)CO1 ZINC000597995043 520366030 /nfs/dbraw/zinc/36/60/30/520366030.db2.gz DNTBVAPXTATFQB-RYUDHWBXSA-N 1 2 363.439 2.649 20 5 FFBDLO CC(C)C[C@H](C)N(C)C(=O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000603839946 520373017 /nfs/dbraw/zinc/37/30/17/520373017.db2.gz HWXBPKNTXKERML-INIZCTEOSA-N 1 2 362.474 2.610 20 5 FFBDLO CCOc1cc(C[N@@H+]2CCN(C(=O)C3CC3)CC2(C)C)ccc1[N+](=O)[O-] ZINC000617219517 520381674 /nfs/dbraw/zinc/38/16/74/520381674.db2.gz HWNCBGCFBKKBAP-UHFFFAOYSA-N 1 2 361.442 2.826 20 5 FFBDLO CCOc1cc(C[N@H+]2CCN(C(=O)C3CC3)CC2(C)C)ccc1[N+](=O)[O-] ZINC000617219517 520381687 /nfs/dbraw/zinc/38/16/87/520381687.db2.gz HWNCBGCFBKKBAP-UHFFFAOYSA-N 1 2 361.442 2.826 20 5 FFBDLO Cc1noc(C[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)c1[N+](=O)[O-] ZINC000595309536 520399838 /nfs/dbraw/zinc/39/98/38/520399838.db2.gz WENWIMMBZLOSJR-UHFFFAOYSA-N 1 2 370.369 2.716 20 5 FFBDLO Cc1noc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)c1[N+](=O)[O-] ZINC000595339338 520417263 /nfs/dbraw/zinc/41/72/63/520417263.db2.gz XTHCGTZLZWGFBB-OAHLLOKOSA-N 1 2 358.398 2.676 20 5 FFBDLO Cc1noc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)c1[N+](=O)[O-] ZINC000595339338 520417269 /nfs/dbraw/zinc/41/72/69/520417269.db2.gz XTHCGTZLZWGFBB-OAHLLOKOSA-N 1 2 358.398 2.676 20 5 FFBDLO COc1cccc(C2([NH2+]Cc3onc(C)c3[N+](=O)[O-])CCOCC2)c1F ZINC000595461051 520486277 /nfs/dbraw/zinc/48/62/77/520486277.db2.gz LEPPRXHALPRVIS-UHFFFAOYSA-N 1 2 365.361 2.834 20 5 FFBDLO COc1cccc([C@@H]2[C@H](NCc3onc(C)c3[N+](=O)[O-])CC[N@@H+]2C2CC2)c1 ZINC000595475923 520495322 /nfs/dbraw/zinc/49/53/22/520495322.db2.gz KHWVSAUAHBYGFZ-VQIMIIECSA-N 1 2 372.425 2.967 20 5 FFBDLO COc1cccc([C@@H]2[C@H](NCc3onc(C)c3[N+](=O)[O-])CC[N@H+]2C2CC2)c1 ZINC000595475923 520495327 /nfs/dbraw/zinc/49/53/27/520495327.db2.gz KHWVSAUAHBYGFZ-VQIMIIECSA-N 1 2 372.425 2.967 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC2(CCCC2=O)CC1 ZINC000598325080 520558572 /nfs/dbraw/zinc/55/85/72/520558572.db2.gz XSYQJSCZCWZGFC-UHFFFAOYSA-N 1 2 368.393 2.756 20 5 FFBDLO O=[N+]([O-])c1ncccc1N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000604472682 520570922 /nfs/dbraw/zinc/57/09/22/520570922.db2.gz PXAFZRZYWNWNJA-UHFFFAOYSA-N 1 2 372.816 2.613 20 5 FFBDLO CC[N@H+](CCC(F)(F)F)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000604525261 520587740 /nfs/dbraw/zinc/58/77/40/520587740.db2.gz DEGVHHQCXWSOIO-UHFFFAOYSA-N 1 2 363.292 2.536 20 5 FFBDLO CC[N@@H+](CCC(F)(F)F)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000604525261 520587747 /nfs/dbraw/zinc/58/77/47/520587747.db2.gz DEGVHHQCXWSOIO-UHFFFAOYSA-N 1 2 363.292 2.536 20 5 FFBDLO O=C(C[NH+]1CCC(C2CCC2)CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000595661042 520629149 /nfs/dbraw/zinc/62/91/49/520629149.db2.gz WQXFBBRNFBEYCS-UHFFFAOYSA-N 1 2 361.398 2.774 20 5 FFBDLO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCc1ccc(N2CCCC2)[nH+]c1 ZINC000601102618 520636845 /nfs/dbraw/zinc/63/68/45/520636845.db2.gz AWVSXEKUTXAQPT-UHFFFAOYSA-N 1 2 370.335 2.954 20 5 FFBDLO C[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]1CCO ZINC000595695915 520655981 /nfs/dbraw/zinc/65/59/81/520655981.db2.gz JCLJUYMZKBSWJN-NHYWBVRUSA-N 1 2 355.822 2.670 20 5 FFBDLO C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]1CCO ZINC000595695915 520655986 /nfs/dbraw/zinc/65/59/86/520655986.db2.gz JCLJUYMZKBSWJN-NHYWBVRUSA-N 1 2 355.822 2.670 20 5 FFBDLO COCC1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCCC1 ZINC000598555741 520702032 /nfs/dbraw/zinc/70/20/32/520702032.db2.gz QXJVFPCLUYBGAU-UHFFFAOYSA-N 1 2 358.398 2.860 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(C2(O)CC2)CC1 ZINC000593051761 520709772 /nfs/dbraw/zinc/70/97/72/520709772.db2.gz WDUKSDSIAXSCOG-LLVKDONJSA-N 1 2 367.833 2.812 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000610499747 520716656 /nfs/dbraw/zinc/71/66/56/520716656.db2.gz YVRPHEMATXKWSK-UHFFFAOYSA-N 1 2 373.394 2.593 20 5 FFBDLO CC1(C)CC[C@H](CO)[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000598649326 520761990 /nfs/dbraw/zinc/76/19/90/520761990.db2.gz UDAVYMNXNHFODV-GFCCVEGCSA-N 1 2 355.822 2.670 20 5 FFBDLO CC1(C)CC[C@H](CO)[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000598649326 520761999 /nfs/dbraw/zinc/76/19/99/520761999.db2.gz UDAVYMNXNHFODV-GFCCVEGCSA-N 1 2 355.822 2.670 20 5 FFBDLO CCOc1ccc(N2CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)nn1 ZINC000595891779 520799548 /nfs/dbraw/zinc/79/95/48/520799548.db2.gz OGBQKUGNJDSGHG-CQSZACIVSA-N 1 2 357.414 2.667 20 5 FFBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000610855230 520875271 /nfs/dbraw/zinc/87/52/71/520875271.db2.gz FKRJBWJCPJYJIN-UHFFFAOYSA-N 1 2 373.394 2.539 20 5 FFBDLO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000601728919 520922856 /nfs/dbraw/zinc/92/28/56/520922856.db2.gz MBTGXJKPUUIFSP-UHFFFAOYSA-N 1 2 369.421 2.577 20 5 FFBDLO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[NH+](Cc2cccs2)CC1 ZINC000593385654 520956761 /nfs/dbraw/zinc/95/67/61/520956761.db2.gz BTXAUWHORDGZQQ-UHFFFAOYSA-N 1 2 363.414 2.682 20 5 FFBDLO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3cc(O)ccc3[N+](=O)[O-])C2)cc1 ZINC000601881449 521004645 /nfs/dbraw/zinc/00/46/45/521004645.db2.gz NESRCWRAGZXLIL-HNNXBMFYSA-N 1 2 355.394 2.613 20 5 FFBDLO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3cc(O)ccc3[N+](=O)[O-])C2)cc1 ZINC000601881449 521004656 /nfs/dbraw/zinc/00/46/56/521004656.db2.gz NESRCWRAGZXLIL-HNNXBMFYSA-N 1 2 355.394 2.613 20 5 FFBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593477330 521019120 /nfs/dbraw/zinc/01/91/20/521019120.db2.gz ZMZGELNMRCIKFM-CQSZACIVSA-N 1 2 372.400 2.577 20 5 FFBDLO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)c(F)c1 ZINC000599180213 521073975 /nfs/dbraw/zinc/07/39/75/521073975.db2.gz WHABBKWUIKDJJA-UHFFFAOYSA-N 1 2 355.373 2.932 20 5 FFBDLO CCc1cc(NCC2CCC(O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596514551 521109186 /nfs/dbraw/zinc/10/91/86/521109186.db2.gz KPDQEMXAFSNORL-UHFFFAOYSA-N 1 2 356.426 2.999 20 5 FFBDLO Cc1cn2ccc(C(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)cc2[nH+]1 ZINC000602069777 521122226 /nfs/dbraw/zinc/12/22/26/521122226.db2.gz MBGALXRYMAWQHL-UHFFFAOYSA-N 1 2 365.393 2.513 20 5 FFBDLO COc1ccc(NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000602130014 521162280 /nfs/dbraw/zinc/16/22/80/521162280.db2.gz KJGGFHUBKBAUMQ-LBPRGKRZSA-N 1 2 358.276 2.932 20 5 FFBDLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc(-c3ccc([N+](=O)[O-])[nH]3)n2)O1 ZINC000596613499 521165933 /nfs/dbraw/zinc/16/59/33/521165933.db2.gz DFDYOFAEKAUFLT-DOMZBBRYSA-N 1 2 369.381 2.935 20 5 FFBDLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc(-c3ccc([N+](=O)[O-])[nH]3)n2)O1 ZINC000596613499 521165944 /nfs/dbraw/zinc/16/59/44/521165944.db2.gz DFDYOFAEKAUFLT-DOMZBBRYSA-N 1 2 369.381 2.935 20 5 FFBDLO O=[N+]([O-])c1ccc2ncnc(NCc3ccccc3Cn3cc[nH+]c3)c2c1 ZINC000611702535 521289077 /nfs/dbraw/zinc/28/90/77/521289077.db2.gz PNZWNLHEQNQMDF-UHFFFAOYSA-N 1 2 360.377 2.817 20 5 FFBDLO COc1ccc(NC(=O)NCc2ccc[nH+]c2N2CCCC2)cc1[N+](=O)[O-] ZINC000596832750 521318984 /nfs/dbraw/zinc/31/89/84/521318984.db2.gz TTYBOGFYNGZZGM-UHFFFAOYSA-N 1 2 371.397 2.920 20 5 FFBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000602484630 521372858 /nfs/dbraw/zinc/37/28/58/521372858.db2.gz KZEPGDLWOMTYBJ-GJZGRUSLSA-N 1 2 360.332 2.993 20 5 FFBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000602484630 521372865 /nfs/dbraw/zinc/37/28/65/521372865.db2.gz KZEPGDLWOMTYBJ-GJZGRUSLSA-N 1 2 360.332 2.993 20 5 FFBDLO Cc1cn2c([nH+]1)CN(C(=O)c1c(Br)cccc1[N+](=O)[O-])CC2 ZINC000599743665 521441897 /nfs/dbraw/zinc/44/18/97/521441897.db2.gz DWMLGEMVBPRCKJ-UHFFFAOYSA-N 1 2 365.187 2.518 20 5 FFBDLO COC(=O)[C@](C)(NCc1c[nH+]c2cccc(C)n12)c1cccc([N+](=O)[O-])c1 ZINC000602736436 521503836 /nfs/dbraw/zinc/50/38/36/521503836.db2.gz MIAYWAXFYQTSOZ-LJQANCHMSA-N 1 2 368.393 2.729 20 5 FFBDLO COc1c(C(=O)NCCc2cn3cccc(C)c3[nH+]2)cccc1[N+](=O)[O-] ZINC000619438480 521567362 /nfs/dbraw/zinc/56/73/62/521567362.db2.gz WIWZHSKVHLPPFR-UHFFFAOYSA-N 1 2 354.366 2.532 20 5 FFBDLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000619582449 521781337 /nfs/dbraw/zinc/78/13/37/521781337.db2.gz ZWQRPVUOVHGCOI-CQSZACIVSA-N 1 2 355.394 2.647 20 5 FFBDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000619582449 521781346 /nfs/dbraw/zinc/78/13/46/521781346.db2.gz ZWQRPVUOVHGCOI-CQSZACIVSA-N 1 2 355.394 2.647 20 5 FFBDLO COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](O)[C@H](F)C3)o2)c([N+](=O)[O-])c1 ZINC000898192655 735324649 /nfs/dbraw/zinc/32/46/49/735324649.db2.gz LFALKPQXVUXXHK-GDBMZVCRSA-N 1 2 350.346 2.768 20 5 FFBDLO COc1ccc(-c2ccc(C[N@H+]3CC[C@@H](O)[C@H](F)C3)o2)c([N+](=O)[O-])c1 ZINC000898192655 735324653 /nfs/dbraw/zinc/32/46/53/735324653.db2.gz LFALKPQXVUXXHK-GDBMZVCRSA-N 1 2 350.346 2.768 20 5 FFBDLO CCO[C@@H]1C[C@@H]([N@H+](C)Cn2cc(Br)c([N+](=O)[O-])n2)C12CCC2 ZINC000127157732 728705564 /nfs/dbraw/zinc/70/55/64/728705564.db2.gz HTVZKNMNEJJILR-VXGBXAGGSA-N 1 2 373.251 2.791 20 5 FFBDLO CCO[C@@H]1C[C@@H]([N@@H+](C)Cn2cc(Br)c([N+](=O)[O-])n2)C12CCC2 ZINC000127157732 728705565 /nfs/dbraw/zinc/70/55/65/728705565.db2.gz HTVZKNMNEJJILR-VXGBXAGGSA-N 1 2 373.251 2.791 20 5 FFBDLO CN(C)c1[nH+]cccc1N(C)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000175923415 729104449 /nfs/dbraw/zinc/10/44/49/729104449.db2.gz RLFPZSLCJQXADU-UHFFFAOYSA-N 1 2 370.818 2.534 20 5 FFBDLO CCCCCC[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000181403945 729246743 /nfs/dbraw/zinc/24/67/43/729246743.db2.gz JFERJWBZSWBZRQ-UHFFFAOYSA-N 1 2 369.487 2.701 20 5 FFBDLO O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1Cl ZINC000860129712 730479612 /nfs/dbraw/zinc/47/96/12/730479612.db2.gz YPDBLKYGKRAAMP-KBPBESRZSA-N 1 2 367.833 2.621 20 5 FFBDLO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000862526623 730706398 /nfs/dbraw/zinc/70/63/98/730706398.db2.gz CDVHDJMIJHRCLO-NNUHMIRASA-N 1 2 373.272 2.843 20 5 FFBDLO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000862526623 730706395 /nfs/dbraw/zinc/70/63/95/730706395.db2.gz CDVHDJMIJHRCLO-NNUHMIRASA-N 1 2 373.272 2.843 20 5 FFBDLO CC(C)c1ccc(C[N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000877787196 732431028 /nfs/dbraw/zinc/43/10/28/732431028.db2.gz HXDHZGXEYPJELS-HUUCEWRRSA-N 1 2 352.456 2.585 20 5 FFBDLO CC(C)c1ccc(C[N@H+]2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000877787196 732431030 /nfs/dbraw/zinc/43/10/30/732431030.db2.gz HXDHZGXEYPJELS-HUUCEWRRSA-N 1 2 352.456 2.585 20 5 FFBDLO C[C@H]1COCCC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878286906 732509426 /nfs/dbraw/zinc/50/94/26/732509426.db2.gz VCIOGKWYYUQXNK-JTQLQIEISA-N 1 2 352.778 2.909 20 5 FFBDLO C[C@H]1COCCC[N@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878286906 732509431 /nfs/dbraw/zinc/50/94/31/732509431.db2.gz VCIOGKWYYUQXNK-JTQLQIEISA-N 1 2 352.778 2.909 20 5 FFBDLO O=C(C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000879558470 732722337 /nfs/dbraw/zinc/72/23/37/732722337.db2.gz JHEWNWYXZGVRMW-MNOVXSKESA-N 1 2 355.847 2.872 20 5 FFBDLO O=C(C[N@H+]1CC[C@@H]2CSC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000879558470 732722340 /nfs/dbraw/zinc/72/23/40/732722340.db2.gz JHEWNWYXZGVRMW-MNOVXSKESA-N 1 2 355.847 2.872 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC000880015710 732820807 /nfs/dbraw/zinc/82/08/07/732820807.db2.gz MSHQWVIXJXQHNC-RRQGHBQHSA-N 1 2 352.456 2.721 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC000880015710 732820808 /nfs/dbraw/zinc/82/08/08/732820808.db2.gz MSHQWVIXJXQHNC-RRQGHBQHSA-N 1 2 352.456 2.721 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCn2cnc(C(F)(F)F)c2C1 ZINC000880272106 732878528 /nfs/dbraw/zinc/87/85/28/732878528.db2.gz YDUFPRMSNGZFGO-UHFFFAOYSA-N 1 2 356.304 2.835 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCn2cnc(C(F)(F)F)c2C1 ZINC000880272106 732878534 /nfs/dbraw/zinc/87/85/34/732878534.db2.gz YDUFPRMSNGZFGO-UHFFFAOYSA-N 1 2 356.304 2.835 20 5 FFBDLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000741149259 735121157 /nfs/dbraw/zinc/12/11/57/735121157.db2.gz WPSIWANCGNALOC-AWEZNQCLSA-N 1 2 369.805 2.604 20 5 FFBDLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000741149259 735121160 /nfs/dbraw/zinc/12/11/60/735121160.db2.gz WPSIWANCGNALOC-AWEZNQCLSA-N 1 2 369.805 2.604 20 5 FFBDLO O=[N+]([O-])c1cc2c(cc1C[NH2+]Cc1nc3c(s1)CCCC3)OCCO2 ZINC000741159106 735121911 /nfs/dbraw/zinc/12/19/11/735121911.db2.gz AJRDYQJQQVRRPT-UHFFFAOYSA-N 1 2 361.423 2.991 20 5 FFBDLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897731249 735270683 /nfs/dbraw/zinc/27/06/83/735270683.db2.gz YLDXNGVUBZZLHF-SSDOTTSWSA-N 1 2 373.171 2.982 20 5 FFBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000931625794 739299295 /nfs/dbraw/zinc/29/92/95/739299295.db2.gz HUXJPQVBYVAFPX-GFCCVEGCSA-N 1 2 370.837 2.741 20 5 FFBDLO O=C(C[NH+]1CCC(O)(C2CCC2)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000932820729 739524780 /nfs/dbraw/zinc/52/47/80/739524780.db2.gz QLPAKSVGHQCDIM-UHFFFAOYSA-N 1 2 367.833 2.814 20 5 FFBDLO Nc1cc(COC(=O)c2cc([N+](=O)[O-])ccc2Br)cc[nH+]1 ZINC000791825757 739606736 /nfs/dbraw/zinc/60/67/36/739606736.db2.gz MKMWLPVDFKHUKC-UHFFFAOYSA-N 1 2 352.144 2.692 20 5 FFBDLO CC(C)CNC(=O)C1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000795854487 740071628 /nfs/dbraw/zinc/07/16/28/740071628.db2.gz WADZURKOKIJJKV-UHFFFAOYSA-N 1 2 355.385 2.857 20 5 FFBDLO C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@@H](O)C(F)(F)F ZINC000801526652 740628101 /nfs/dbraw/zinc/62/81/01/740628101.db2.gz ULLXMJRUESZYTQ-SNVBAGLBSA-N 1 2 357.126 2.712 20 5 FFBDLO C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@@H](O)C(F)(F)F ZINC000801526652 740628104 /nfs/dbraw/zinc/62/81/04/740628104.db2.gz ULLXMJRUESZYTQ-SNVBAGLBSA-N 1 2 357.126 2.712 20 5 FFBDLO O=C(O[C@H]1CC[N@H+](CCF)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000802244390 740689589 /nfs/dbraw/zinc/68/95/89/740689589.db2.gz OPASYRABSUXLCB-LBPRGKRZSA-N 1 2 361.167 2.558 20 5 FFBDLO O=C(O[C@H]1CC[N@@H+](CCF)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000802244390 740689594 /nfs/dbraw/zinc/68/95/94/740689594.db2.gz OPASYRABSUXLCB-LBPRGKRZSA-N 1 2 361.167 2.558 20 5 FFBDLO CCC[C@]1(CO)CC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000808795175 741261217 /nfs/dbraw/zinc/26/12/17/741261217.db2.gz RTDVIQQGGPZINH-INIZCTEOSA-N 1 2 355.822 2.671 20 5 FFBDLO CCC[C@]1(CO)CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000808795175 741261220 /nfs/dbraw/zinc/26/12/20/741261220.db2.gz RTDVIQQGGPZINH-INIZCTEOSA-N 1 2 355.822 2.671 20 5 FFBDLO CNc1[nH+]cnc2c1cnn2Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000814265968 741806842 /nfs/dbraw/zinc/80/68/42/741806842.db2.gz UCQQDGOKBDBYRR-UHFFFAOYSA-N 1 2 363.175 2.587 20 5 FFBDLO C[C@H]([NH2+][C@@H](C)c1ccn(C)n1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000839195792 746799584 /nfs/dbraw/zinc/79/95/84/746799584.db2.gz HHNYSRBYRUSPKG-UWVGGRQHSA-N 1 2 351.794 2.660 20 5 FFBDLO C[C@@H](CC(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC000845277392 748218301 /nfs/dbraw/zinc/21/83/01/748218301.db2.gz GTOFZDOBUXRXDF-JTQLQIEISA-N 1 2 366.761 2.578 20 5 FFBDLO Cc1nn(C[N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000853522980 750082909 /nfs/dbraw/zinc/08/29/09/750082909.db2.gz QFPZDNYIKQNKCC-UHFFFAOYSA-N 1 2 355.439 2.601 20 5 FFBDLO Cc1nn(C[N@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000853522980 750082914 /nfs/dbraw/zinc/08/29/14/750082914.db2.gz QFPZDNYIKQNKCC-UHFFFAOYSA-N 1 2 355.439 2.601 20 5 FFBDLO O=c1cc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)nc2ccccn12 ZINC000135238851 963859331 /nfs/dbraw/zinc/85/93/31/963859331.db2.gz BTAZEJLDRSRASC-UHFFFAOYSA-N 1 2 350.378 2.767 20 5 FFBDLO O=c1cc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)nc2ccccn12 ZINC000135238851 963859334 /nfs/dbraw/zinc/85/93/34/963859334.db2.gz BTAZEJLDRSRASC-UHFFFAOYSA-N 1 2 350.378 2.767 20 5 FFBDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001176133398 1013625759 /nfs/dbraw/zinc/62/57/59/1013625759.db2.gz JZYQGDJBIVCRAO-VIFPVBQESA-N 1 2 367.203 2.575 20 5 FFBDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001176133398 1013625762 /nfs/dbraw/zinc/62/57/62/1013625762.db2.gz JZYQGDJBIVCRAO-VIFPVBQESA-N 1 2 367.203 2.575 20 5 FFBDLO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874888760 1013923483 /nfs/dbraw/zinc/92/34/83/1013923483.db2.gz QFUJJFGUQZQZFE-MRXNPFEDSA-N 1 2 361.348 2.589 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cn3nccc3-c3ccncc3)CC2)cc1 ZINC000729264772 978224544 /nfs/dbraw/zinc/22/45/44/978224544.db2.gz DLJPRILGBCKAFV-UHFFFAOYSA-N 1 2 364.409 2.633 20 5 FFBDLO Nc1ccc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000063657001 986007259 /nfs/dbraw/zinc/00/72/59/986007259.db2.gz JROWREHODCUKEX-UHFFFAOYSA-N 1 2 367.365 2.705 20 5 FFBDLO CCO[C@@H]1C[C@@H]([N@H+](C)Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C12CCC2 ZINC000127292270 1015181077 /nfs/dbraw/zinc/18/10/77/1015181077.db2.gz OGMGLSIBPJUWPP-HZPDHXFCSA-N 1 2 361.398 2.740 20 5 FFBDLO CCO[C@@H]1C[C@@H]([N@@H+](C)Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C12CCC2 ZINC000127292270 1015181080 /nfs/dbraw/zinc/18/10/80/1015181080.db2.gz OGMGLSIBPJUWPP-HZPDHXFCSA-N 1 2 361.398 2.740 20 5 FFBDLO O=[N+]([O-])c1c(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)nc2ccccn21 ZINC000029852505 986463712 /nfs/dbraw/zinc/46/37/12/986463712.db2.gz FSXGTHHOJZSOBV-MRXNPFEDSA-N 1 2 367.409 2.555 20 5 FFBDLO O=[N+]([O-])c1c(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nc2ccccn21 ZINC000029852505 986463714 /nfs/dbraw/zinc/46/37/14/986463714.db2.gz FSXGTHHOJZSOBV-MRXNPFEDSA-N 1 2 367.409 2.555 20 5 FFBDLO CC1(c2nccc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)n2)CC1 ZINC001128729790 989721284 /nfs/dbraw/zinc/72/12/84/989721284.db2.gz TVTGZEVCUYKGLF-UHFFFAOYSA-N 1 2 364.365 2.874 20 5 FFBDLO COc1ccc(CC(N)=[NH+]O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000918732761 990483396 /nfs/dbraw/zinc/48/33/96/990483396.db2.gz OPAVJRHAZQHXTM-GFCCVEGCSA-N 1 2 372.381 2.672 20 5 FFBDLO O=C(COc1ccccc1[N+](=O)[O-])N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001132815183 995146022 /nfs/dbraw/zinc/14/60/22/995146022.db2.gz GZUXPCXDTGLFPV-INIZCTEOSA-N 1 2 366.377 2.728 20 5 FFBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000811540703 995177959 /nfs/dbraw/zinc/17/79/59/995177959.db2.gz ZJOSQFKLAVNCTJ-FZKQIMNGSA-N 1 2 366.377 2.632 20 5 FFBDLO COCCO[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC001168948540 1000010953 /nfs/dbraw/zinc/01/09/53/1000010953.db2.gz FEFDXDYCSOQECF-CQSZACIVSA-N 1 2 373.247 2.985 20 5 FFBDLO COCCO[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC001168948540 1000010954 /nfs/dbraw/zinc/01/09/54/1000010954.db2.gz FEFDXDYCSOQECF-CQSZACIVSA-N 1 2 373.247 2.985 20 5 FFBDLO CCOC(=O)[C@H](CSCc1ccccc1)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168997960 1000014253 /nfs/dbraw/zinc/01/42/53/1000014253.db2.gz GVTDLNVAFHKBIE-IKGGRYGDSA-N 1 2 366.483 2.887 20 5 FFBDLO COC(=O)[C@@H]1C[C@@H](Nc2nc3c(ccc4ccccc43)nc2Cl)C[NH2+]1 ZINC001169131252 1000023906 /nfs/dbraw/zinc/02/39/06/1000023906.db2.gz WNZXZPMMUJEJHT-RISCZKNCSA-N 1 2 356.813 2.752 20 5 FFBDLO COC(=O)c1cc(N2CCC([N@H+](C)CC(F)F)CC2)cc(C)c1[N+](=O)[O-] ZINC000771163033 1001020172 /nfs/dbraw/zinc/02/01/72/1001020172.db2.gz JZGGMMMITWMYJC-UHFFFAOYSA-N 1 2 371.384 2.856 20 5 FFBDLO COC(=O)c1cc(N2CCC([N@@H+](C)CC(F)F)CC2)cc(C)c1[N+](=O)[O-] ZINC000771163033 1001020176 /nfs/dbraw/zinc/02/01/76/1001020176.db2.gz JZGGMMMITWMYJC-UHFFFAOYSA-N 1 2 371.384 2.856 20 5 FFBDLO C[C@@H]1CCCN(c2ccc(C(=O)OCCn3cc[nH+]c3)cc2[N+](=O)[O-])C1 ZINC000771892997 1001240296 /nfs/dbraw/zinc/24/02/96/1001240296.db2.gz KZMMTTHJIJRTIM-CQSZACIVSA-N 1 2 358.398 2.885 20 5 FFBDLO C[C@@H]1OCC[C@]12C[N@H+](Cn1cc(-c3cccc([N+](=O)[O-])c3)cn1)C[C@@H](C)O2 ZINC000790401408 1002371869 /nfs/dbraw/zinc/37/18/69/1002371869.db2.gz OSYRXQVWQCGPCQ-VCBZYWHSSA-N 1 2 372.425 2.684 20 5 FFBDLO C[C@@H]1OCC[C@]12C[N@@H+](Cn1cc(-c3cccc([N+](=O)[O-])c3)cn1)C[C@@H](C)O2 ZINC000790401408 1002371879 /nfs/dbraw/zinc/37/18/79/1002371879.db2.gz OSYRXQVWQCGPCQ-VCBZYWHSSA-N 1 2 372.425 2.684 20 5 FFBDLO O=C(NCC1CC1)C1([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)CCCC1 ZINC001191831162 1003973781 /nfs/dbraw/zinc/97/37/81/1003973781.db2.gz DBQDSXVZQIUYDK-UHFFFAOYSA-N 1 2 353.369 2.802 20 5 FFBDLO CC(=O)Nc1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001131157753 1004763184 /nfs/dbraw/zinc/76/31/84/1004763184.db2.gz IGCJCLGHHHCASE-UHFFFAOYSA-N 1 2 365.349 2.991 20 5 FFBDLO CC(C)n1cc([C@H](C)OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)nn1 ZINC000851238298 1005869015 /nfs/dbraw/zinc/86/90/15/1005869015.db2.gz PGZMRKAQRDUIIJ-LBPRGKRZSA-N 1 2 370.369 2.871 20 5 FFBDLO Cc1ccc(C[N@@H+]2CCO[C@H](CNc3ncc([N+](=O)[O-])cc3F)C2)cc1 ZINC001187353025 1006054398 /nfs/dbraw/zinc/05/43/98/1006054398.db2.gz YHMTUJFOGLDGJF-MRXNPFEDSA-N 1 2 360.389 2.750 20 5 FFBDLO Cc1ccc(C[N@H+]2CCO[C@H](CNc3ncc([N+](=O)[O-])cc3F)C2)cc1 ZINC001187353025 1006054412 /nfs/dbraw/zinc/05/44/12/1006054412.db2.gz YHMTUJFOGLDGJF-MRXNPFEDSA-N 1 2 360.389 2.750 20 5 FFBDLO CC(C)(C)C(=O)N1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000776605278 1006086976 /nfs/dbraw/zinc/08/69/76/1006086976.db2.gz JWRYNACAOXCPGF-INIZCTEOSA-N 1 2 363.458 2.597 20 5 FFBDLO CC(C)(C)C(=O)N1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000776605278 1006086989 /nfs/dbraw/zinc/08/69/89/1006086989.db2.gz JWRYNACAOXCPGF-INIZCTEOSA-N 1 2 363.458 2.597 20 5 FFBDLO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@H](OCC3CC3)C2)nc1-c1ccccn1 ZINC000853507320 1006418612 /nfs/dbraw/zinc/41/86/12/1006418612.db2.gz OLFIGZRWOJUZAZ-HNNXBMFYSA-N 1 2 357.414 2.702 20 5 FFBDLO O=[N+]([O-])c1cn(C[N@H+]2CCC[C@H](OCC3CC3)C2)nc1-c1ccccn1 ZINC000853507320 1006418618 /nfs/dbraw/zinc/41/86/18/1006418618.db2.gz OLFIGZRWOJUZAZ-HNNXBMFYSA-N 1 2 357.414 2.702 20 5 FFBDLO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000026937827 1006684090 /nfs/dbraw/zinc/68/40/90/1006684090.db2.gz MTFIOYULRQUTGY-QGZVFWFLSA-N 1 2 370.365 2.632 20 5 FFBDLO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000026937827 1006684097 /nfs/dbraw/zinc/68/40/97/1006684097.db2.gz MTFIOYULRQUTGY-QGZVFWFLSA-N 1 2 370.365 2.632 20 5 FFBDLO CC1CCN(c2ccc(C(=O)N[C@@H]3CCn4c[nH+]cc43)cc2[N+](=O)[O-])CC1 ZINC000857990579 1008270884 /nfs/dbraw/zinc/27/08/84/1008270884.db2.gz YZLGDFKWYHIEHX-OAHLLOKOSA-N 1 2 369.425 2.902 20 5 FFBDLO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCN(c3cc(F)ccc3F)CC2)c1 ZINC000137070907 1008560873 /nfs/dbraw/zinc/56/08/73/1008560873.db2.gz NTUAGSAYNJFFFE-SFHVURJKSA-N 1 2 363.364 2.729 20 5 FFBDLO CON(Cc1ccc(C)o1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001178295159 1008940804 /nfs/dbraw/zinc/94/08/04/1008940804.db2.gz BWAFMPOVZDTVRA-UHFFFAOYSA-N 1 2 356.338 2.886 20 5 FFBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000126166024 1009217318 /nfs/dbraw/zinc/21/73/18/1009217318.db2.gz YSCXIEYFKONGDX-UHFFFAOYSA-N 1 2 355.394 2.988 20 5 FFBDLO COc1ccc2c(c1)CN(C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)C2=O ZINC000863266251 1010148441 /nfs/dbraw/zinc/14/84/41/1010148441.db2.gz HAMFBKXKXAZGRC-UHFFFAOYSA-N 1 2 355.394 2.691 20 5 FFBDLO COc1ccc2c(c1)CN(C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)C2=O ZINC000863266251 1010148448 /nfs/dbraw/zinc/14/84/48/1010148448.db2.gz HAMFBKXKXAZGRC-UHFFFAOYSA-N 1 2 355.394 2.691 20 5 FFBDLO CC(C)c1[nH]nc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2)c1[N+](=O)[O-] ZINC000796256274 1011537696 /nfs/dbraw/zinc/53/76/96/1011537696.db2.gz NIYGZBPCDWZYGF-UHFFFAOYSA-N 1 2 355.354 2.984 20 5 FFBDLO C[NH+]1CCC(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])(c2ccccc2)CC1 ZINC000870188371 1012253647 /nfs/dbraw/zinc/25/36/47/1012253647.db2.gz CLCOHQHZVWBNQF-UHFFFAOYSA-N 1 2 369.421 2.694 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2CCN(c3cccnc3)CC2)c1F ZINC001173178402 1012321259 /nfs/dbraw/zinc/32/12/59/1012321259.db2.gz BMDQDWWJIXBEDX-AWEZNQCLSA-N 1 2 374.416 2.891 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)Cc2nnc3ccccn32)c1F ZINC001173179857 1012321936 /nfs/dbraw/zinc/32/19/36/1012321936.db2.gz HVSWKVRIOLPNOR-LBPRGKRZSA-N 1 2 373.388 2.848 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](C)Cc2nnc3ccccn32)c1F ZINC001173179857 1012321953 /nfs/dbraw/zinc/32/19/53/1012321953.db2.gz HVSWKVRIOLPNOR-LBPRGKRZSA-N 1 2 373.388 2.848 20 5 FFBDLO O=C(NC[C@H]1CCC12CCOCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000871575854 1013007044 /nfs/dbraw/zinc/00/70/44/1013007044.db2.gz ILTLYURFAOQWEE-OAHLLOKOSA-N 1 2 370.409 2.717 20 5 FFBDLO C[C@@H](NC(=O)N(C)C[C@H]1CCn2cc[nH+]c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000925244412 1017676591 /nfs/dbraw/zinc/67/65/91/1017676591.db2.gz VBZRDHSUCLMZGN-KGLIPLIRSA-N 1 2 357.414 2.756 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927102793 1018364556 /nfs/dbraw/zinc/36/45/56/1018364556.db2.gz WRXLPGZTDFWESF-UHFFFAOYSA-N 1 2 356.382 2.715 20 5 FFBDLO CCOC(=O)N[C@H]1CCC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777955051 1020322606 /nfs/dbraw/zinc/32/26/06/1020322606.db2.gz KFZOMIGPIBBYCH-INIZCTEOSA-N 1 2 373.413 2.626 20 5 FFBDLO CCOC(=O)N[C@H]1CCC[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777955051 1020322618 /nfs/dbraw/zinc/32/26/18/1020322618.db2.gz KFZOMIGPIBBYCH-INIZCTEOSA-N 1 2 373.413 2.626 20 5 FFBDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000802749249 1020381632 /nfs/dbraw/zinc/38/16/32/1020381632.db2.gz UFKLPGDMTQTUHB-CVEARBPZSA-N 1 2 364.409 2.956 20 5 FFBDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000802749249 1020381643 /nfs/dbraw/zinc/38/16/43/1020381643.db2.gz UFKLPGDMTQTUHB-CVEARBPZSA-N 1 2 364.409 2.956 20 5 FFBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)cc1 ZINC000931492428 1020488880 /nfs/dbraw/zinc/48/88/80/1020488880.db2.gz XNFYSNQNHZPLDO-SLFFLAALSA-N 1 2 353.422 2.587 20 5 FFBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)cc1 ZINC000931492428 1020488887 /nfs/dbraw/zinc/48/88/87/1020488887.db2.gz XNFYSNQNHZPLDO-SLFFLAALSA-N 1 2 353.422 2.587 20 5 FFBDLO Cc1cc2nc3nc(=O)[nH]c(O[C@@H]4CCC[NH2+]C[C@@H]4C)c3nc2cc1C ZINC001217990923 1032936754 /nfs/dbraw/zinc/93/67/54/1032936754.db2.gz QBZDPBZTWPSRCO-SWLSCSKDSA-N 1 2 353.426 2.662 20 5 FFBDLO C[C@H]1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000934654450 1021323056 /nfs/dbraw/zinc/32/30/56/1021323056.db2.gz RXKFJJIZAFYAJO-GUYCJALGSA-N 1 2 360.389 2.973 20 5 FFBDLO O=[N+]([O-])c1cccc(C[NH+]2CCN(c3ncnc4c(F)cccc43)CC2)c1 ZINC001116776757 1021409956 /nfs/dbraw/zinc/40/99/56/1021409956.db2.gz YWUKBSSYXIQLNJ-UHFFFAOYSA-N 1 2 367.384 2.999 20 5 FFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c(Br)c1 ZINC001118103126 1022070260 /nfs/dbraw/zinc/07/02/60/1022070260.db2.gz PUDGIMJTQHZNQK-ZDUSSCGKSA-N 1 2 366.219 2.786 20 5 FFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](n3ccnn3)C2)c(Br)c1 ZINC001118103126 1022070266 /nfs/dbraw/zinc/07/02/66/1022070266.db2.gz PUDGIMJTQHZNQK-ZDUSSCGKSA-N 1 2 366.219 2.786 20 5 FFBDLO CCc1c(Cl)cc([N+](=O)[O-])c(O[C@H]2C[NH2+][C@H](C(=O)OC)C2)c1Cl ZINC001218172288 1033027487 /nfs/dbraw/zinc/02/74/87/1033027487.db2.gz HBBCINAARNHITI-XCBNKYQSSA-N 1 2 363.197 2.746 20 5 FFBDLO CCc1c(Cl)cc([N+](=O)[O-])c(O[C@@H]2C[NH2+][C@H](C(=O)OC)C2)c1Cl ZINC001218174531 1033029296 /nfs/dbraw/zinc/02/92/96/1033029296.db2.gz HBBCINAARNHITI-XVKPBYJWSA-N 1 2 363.197 2.746 20 5 FFBDLO O=C(OCc1ccc(F)cc1[N+](=O)[O-])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001118391340 1022211341 /nfs/dbraw/zinc/21/13/41/1022211341.db2.gz KXQZVGARAMHKFS-SFHVURJKSA-N 1 2 374.368 2.678 20 5 FFBDLO O=C(OCc1ccc(F)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001118391340 1022211353 /nfs/dbraw/zinc/21/13/53/1022211353.db2.gz KXQZVGARAMHKFS-SFHVURJKSA-N 1 2 374.368 2.678 20 5 FFBDLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001119041607 1022535404 /nfs/dbraw/zinc/53/54/04/1022535404.db2.gz VMCLNERMTNRBNX-CQSZACIVSA-N 1 2 368.315 2.870 20 5 FFBDLO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[NH+](CCOc2ccccc2)CC1 ZINC000751061704 1022751648 /nfs/dbraw/zinc/75/16/48/1022751648.db2.gz DMJQOTZNNIEYNW-UHFFFAOYSA-N 1 2 373.384 2.571 20 5 FFBDLO COc1cccc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000753248040 1023293970 /nfs/dbraw/zinc/29/39/70/1023293970.db2.gz FEHFIYQXBZOBAV-UHFFFAOYSA-N 1 2 354.322 2.541 20 5 FFBDLO C[C@]1(c2ccccc2)CC[N@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000755932161 1023652743 /nfs/dbraw/zinc/65/27/43/1023652743.db2.gz SBPPDBPWRZTFLU-FQEVSTJZSA-N 1 2 365.389 2.812 20 5 FFBDLO C[C@]1(c2ccccc2)CC[N@@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000755932161 1023652748 /nfs/dbraw/zinc/65/27/48/1023652748.db2.gz SBPPDBPWRZTFLU-FQEVSTJZSA-N 1 2 365.389 2.812 20 5 FFBDLO Cn1c(C[NH+]2CCCCC2)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001121494281 1023809477 /nfs/dbraw/zinc/80/94/77/1023809477.db2.gz FRQSYEHYNHKTNA-UHFFFAOYSA-N 1 2 370.457 2.878 20 5 FFBDLO CCOc1ncccc1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001124906634 1024392379 /nfs/dbraw/zinc/39/23/79/1024392379.db2.gz QZMHQDVUHNTETB-UHFFFAOYSA-N 1 2 353.338 2.827 20 5 FFBDLO Cc1nn(C[N@H+]2CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000840155624 1026989649 /nfs/dbraw/zinc/98/96/49/1026989649.db2.gz TVJWKCZNJPKTRV-JSGCOSHPSA-N 1 2 367.450 2.540 20 5 FFBDLO Cc1nn(C[N@@H+]2CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000840155624 1026989651 /nfs/dbraw/zinc/98/96/51/1026989651.db2.gz TVJWKCZNJPKTRV-JSGCOSHPSA-N 1 2 367.450 2.540 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3c(Cl)nc4ccccn43)C2)nc1 ZINC000093534271 1027754786 /nfs/dbraw/zinc/75/47/86/1027754786.db2.gz LZDBZMOFFHXDIR-LBPRGKRZSA-N 1 2 372.816 2.977 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3c(Cl)nc4ccccn43)C2)nc1 ZINC000093534271 1027754805 /nfs/dbraw/zinc/75/48/05/1027754805.db2.gz LZDBZMOFFHXDIR-LBPRGKRZSA-N 1 2 372.816 2.977 20 5 FFBDLO O=C(c1ccc2oc3ccccc3c(=O)c2c1)N1CCc2[nH+]ccn2CC1 ZINC001153420622 1027872429 /nfs/dbraw/zinc/87/24/29/1027872429.db2.gz ZQUSJTUCZKBGLS-UHFFFAOYSA-N 1 2 359.385 2.841 20 5 FFBDLO CCc1nn(C)c(NC[C@@H]2C[N@H+](Cc3cccc(C)c3)CCO2)c1[N+](=O)[O-] ZINC001163938773 1029123090 /nfs/dbraw/zinc/12/30/90/1029123090.db2.gz MVQFWJZEMGXLCT-MRXNPFEDSA-N 1 2 373.457 2.512 20 5 FFBDLO CCc1nn(C)c(NC[C@@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)c1[N+](=O)[O-] ZINC001163938773 1029123095 /nfs/dbraw/zinc/12/30/95/1029123095.db2.gz MVQFWJZEMGXLCT-MRXNPFEDSA-N 1 2 373.457 2.512 20 5 FFBDLO O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000781955885 1029493119 /nfs/dbraw/zinc/49/31/19/1029493119.db2.gz BKBKEXFZYPIVNC-UHFFFAOYSA-N 1 2 373.369 2.565 20 5 FFBDLO C[C@H](Oc1ncc(F)cc1[N+](=O)[O-])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001226751856 1034819984 /nfs/dbraw/zinc/81/99/84/1034819984.db2.gz UVCDYOAQVJPTPT-GUYCJALGSA-N 1 2 361.373 2.797 20 5 FFBDLO C[C@H](Oc1ncc(F)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001226751856 1034819999 /nfs/dbraw/zinc/81/99/99/1034819999.db2.gz UVCDYOAQVJPTPT-GUYCJALGSA-N 1 2 361.373 2.797 20 5 FFBDLO CS(=O)(=O)C1CC[NH+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232223672 1035504197 /nfs/dbraw/zinc/50/41/97/1035504197.db2.gz RXPOLUUXMXMIRO-UHFFFAOYSA-N 1 2 355.463 2.792 20 5 FFBDLO Cc1cn2cc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCCCO4)ccc2[nH+]1 ZINC001536225819 1069938093 /nfs/dbraw/zinc/93/80/93/1069938093.db2.gz ZNKMOERWFCWBIN-UHFFFAOYSA-N 1 2 368.349 2.965 20 5 FFBDLO CC1(C)[C@@H]2OCC[C@H]2[C@@H]1OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835176627 1035603207 /nfs/dbraw/zinc/60/32/07/1035603207.db2.gz IFRAJMRIUWIUME-WQVCFCJDSA-N 1 2 357.366 2.751 20 5 FFBDLO O=C(OC[C@@H]1CC12CCOCC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835219914 1035628909 /nfs/dbraw/zinc/62/89/09/1035628909.db2.gz KMUHCMJPPXQQNJ-AWEZNQCLSA-N 1 2 357.366 2.754 20 5 FFBDLO COc1cccc([N+](=O)[O-])c1OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001227701733 1035683685 /nfs/dbraw/zinc/68/36/85/1035683685.db2.gz PVNNIYYOTVJELX-MRXNPFEDSA-N 1 2 358.394 2.883 20 5 FFBDLO COc1cccc([N+](=O)[O-])c1OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001227701733 1035683695 /nfs/dbraw/zinc/68/36/95/1035683695.db2.gz PVNNIYYOTVJELX-MRXNPFEDSA-N 1 2 358.394 2.883 20 5 FFBDLO C[N@@H+]1CCO[C@H](COc2c(Br)cc(Cl)cc2[N+](=O)[O-])C1 ZINC001233788893 1036766036 /nfs/dbraw/zinc/76/60/36/1036766036.db2.gz LOLWINYNPBJTCM-VIFPVBQESA-N 1 2 365.611 2.720 20 5 FFBDLO C[N@H+]1CCO[C@H](COc2c(Br)cc(Cl)cc2[N+](=O)[O-])C1 ZINC001233788893 1036766040 /nfs/dbraw/zinc/76/60/40/1036766040.db2.gz LOLWINYNPBJTCM-VIFPVBQESA-N 1 2 365.611 2.720 20 5 FFBDLO CCOC(=O)[C@H](CC)[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256101612 1038386894 /nfs/dbraw/zinc/38/68/94/1038386894.db2.gz NRYXTNRUWOMUGD-HNNXBMFYSA-N 1 2 365.430 2.504 20 5 FFBDLO O=[N+]([O-])c1cc(-c2[nH]c3ccc(N4CCOCC4)cc3[nH+]2)cc([N+](=O)[O-])c1 ZINC001251272332 1039044237 /nfs/dbraw/zinc/04/42/37/1039044237.db2.gz VUDFKYKHRIOQNP-UHFFFAOYSA-N 1 2 369.337 2.883 20 5 FFBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC001254550119 1040791949 /nfs/dbraw/zinc/79/19/49/1040791949.db2.gz CXDCUHHADIFKRR-INIZCTEOSA-N 1 2 353.422 2.984 20 5 FFBDLO COC(=O)[C@H]1Cc2ccccc2C[N@@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254604594 1040834233 /nfs/dbraw/zinc/83/42/33/1040834233.db2.gz WQBFSPBGUMAEHG-RTBURBONSA-N 1 2 352.390 2.662 20 5 FFBDLO COC(=O)[C@H]1Cc2ccccc2C[N@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254604594 1040834236 /nfs/dbraw/zinc/83/42/36/1040834236.db2.gz WQBFSPBGUMAEHG-RTBURBONSA-N 1 2 352.390 2.662 20 5 FFBDLO Cc1ccc(CNC(=O)N2CCC(c3c[nH+]cn3C)CC2)cc1[N+](=O)[O-] ZINC001263147838 1042131774 /nfs/dbraw/zinc/13/17/74/1042131774.db2.gz KLDFKGLZCXRYOH-UHFFFAOYSA-N 1 2 357.414 2.726 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC001329343351 1048677292 /nfs/dbraw/zinc/67/72/92/1048677292.db2.gz CYWVIXSRPOHCKB-HXUWFJFHSA-N 1 2 369.421 2.825 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC001329343351 1048677300 /nfs/dbraw/zinc/67/73/00/1048677300.db2.gz CYWVIXSRPOHCKB-HXUWFJFHSA-N 1 2 369.421 2.825 20 5 FFBDLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001333427939 1048899943 /nfs/dbraw/zinc/89/99/43/1048899943.db2.gz CMEIYLGNBGECLD-CYBMUJFWSA-N 1 2 354.288 2.827 20 5 FFBDLO Nc1[nH+]ccc2c1CN(C(=O)c1cc3cc([N+](=O)[O-])ccc3s1)CC2 ZINC001302093612 1051040775 /nfs/dbraw/zinc/04/07/75/1051040775.db2.gz IFLFKRRUONJPCB-UHFFFAOYSA-N 1 2 354.391 2.985 20 5 FFBDLO O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(NCCCCn3cc[nH+]c3)c2c1 ZINC001307083258 1052247700 /nfs/dbraw/zinc/24/77/00/1052247700.db2.gz KHEFBVKDHVISJR-UHFFFAOYSA-N 1 2 356.342 2.562 20 5 FFBDLO CCOc1cccc(COC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC001543707165 1071529112 /nfs/dbraw/zinc/52/91/12/1071529112.db2.gz WEIHYXZIYNHMDC-UHFFFAOYSA-N 1 2 368.349 2.931 20 5 FFBDLO CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1ccc([N+](=O)[O-])cc1 ZINC001352626760 1055663839 /nfs/dbraw/zinc/66/38/39/1055663839.db2.gz NRMCNJMOHWCGIX-UHFFFAOYSA-N 1 2 367.321 2.965 20 5 FFBDLO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1=CCOCC1 ZINC001353295230 1056270841 /nfs/dbraw/zinc/27/08/41/1056270841.db2.gz NUHMXKAIKGIJGL-UHFFFAOYSA-N 1 2 370.409 2.883 20 5 FFBDLO Cc1[nH]c(CNC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)[nH+]c1C ZINC001445470673 1058407536 /nfs/dbraw/zinc/40/75/36/1058407536.db2.gz AKMAXIQJMTXRQJ-UHFFFAOYSA-N 1 2 367.203 2.936 20 5 FFBDLO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CCc2ccccc2C1 ZINC000848473933 1060088213 /nfs/dbraw/zinc/08/82/13/1060088213.db2.gz RCZZTHVWDJVLGS-IBGZPJMESA-N 1 2 351.406 2.927 20 5 FFBDLO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@H+]1CCc2ccccc2C1 ZINC000848473933 1060088234 /nfs/dbraw/zinc/08/82/34/1060088234.db2.gz RCZZTHVWDJVLGS-IBGZPJMESA-N 1 2 351.406 2.927 20 5 FFBDLO CC[C@H]1C[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C[C@]2(CCOC2)O1 ZINC000848486428 1060129174 /nfs/dbraw/zinc/12/91/74/1060129174.db2.gz FWGVVPWZWHEEJJ-LPHOPBHVSA-N 1 2 372.425 2.686 20 5 FFBDLO CC[C@H]1C[N@@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C[C@]2(CCOC2)O1 ZINC000848486428 1060129182 /nfs/dbraw/zinc/12/91/82/1060129182.db2.gz FWGVVPWZWHEEJJ-LPHOPBHVSA-N 1 2 372.425 2.686 20 5 FFBDLO CNc1c(C(=O)NCCNc2cc(C)[nH+]c(C(C)C)n2)cccc1[N+](=O)[O-] ZINC000600367207 1060316969 /nfs/dbraw/zinc/31/69/69/1060316969.db2.gz PVMXXEHSKHONFR-UHFFFAOYSA-N 1 2 372.429 2.700 20 5 FFBDLO CCOc1cc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC001476815409 1061485798 /nfs/dbraw/zinc/48/57/98/1061485798.db2.gz KCEKOKREZLCNME-AWEZNQCLSA-N 1 2 371.397 2.789 20 5 FFBDLO O=C(NC[C@@H]1CCC2(CCC2)CO1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001462778362 1061772954 /nfs/dbraw/zinc/77/29/54/1061772954.db2.gz OIOBGVTVXOJHSK-HNNXBMFYSA-N 1 2 370.409 2.860 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)n1 ZINC001528889272 1062086913 /nfs/dbraw/zinc/08/69/13/1062086913.db2.gz NBIIXVUEHXEUJP-CQSZACIVSA-N 1 2 370.409 2.944 20 5 FFBDLO O=C(NC[C@@H]1Cc2ccccc2O1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001436270387 1062688006 /nfs/dbraw/zinc/68/80/06/1062688006.db2.gz AMXQYIBKYQXRCM-HNNXBMFYSA-N 1 2 364.361 2.514 20 5 FFBDLO O=C(Nc1ccc(C[NH+]2CCCC2)c(C(F)(F)F)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001439225511 1063116341 /nfs/dbraw/zinc/11/63/41/1063116341.db2.gz PNTAZVJIVCDESU-TZMCWYRMSA-N 1 2 357.332 2.905 20 5 FFBDLO Cc1[nH]c(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)[nH+]c1C ZINC001465747577 1063201072 /nfs/dbraw/zinc/20/10/72/1063201072.db2.gz DJKHEABDUDHTIO-UHFFFAOYSA-N 1 2 357.395 2.988 20 5 FFBDLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001469326263 1064128828 /nfs/dbraw/zinc/12/88/28/1064128828.db2.gz IWDNHNWEBRPNPS-CQSZACIVSA-N 1 2 363.377 2.598 20 5 FFBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCCCN(C)c2cccc[nH+]2)c1 ZINC001471490307 1064693394 /nfs/dbraw/zinc/69/33/94/1064693394.db2.gz FWKOTDMWOYUGOG-UHFFFAOYSA-N 1 2 360.439 2.968 20 5 FFBDLO Cc1[nH]c([C@H]2CCCN2C(=O)COc2ccc([N+](=O)[O-])c(C)c2)[nH+]c1C ZINC001471860790 1064825669 /nfs/dbraw/zinc/82/56/69/1064825669.db2.gz SJHDBRPGMINJCK-MRXNPFEDSA-N 1 2 358.398 2.986 20 5 FFBDLO O=[N+]([O-])c1cnc2ccc(Cl)cc2c1N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC001472872955 1065162656 /nfs/dbraw/zinc/16/26/56/1065162656.db2.gz IGGMOBUTBKFUAA-UHFFFAOYSA-N 1 2 372.816 2.842 20 5 FFBDLO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCN1C(=O)OC(C)(C)C ZINC001473384372 1065251880 /nfs/dbraw/zinc/25/18/80/1065251880.db2.gz OVQOHGGLHFAKTF-CQSZACIVSA-N 1 2 365.430 2.915 20 5 FFBDLO C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCN1C(=O)OC(C)(C)C ZINC001473384372 1065251890 /nfs/dbraw/zinc/25/18/90/1065251890.db2.gz OVQOHGGLHFAKTF-CQSZACIVSA-N 1 2 365.430 2.915 20 5 FFBDLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C)C[C@@H]2CC(C)C)c(C)c1[N+](=O)[O-] ZINC001561957492 1076453433 /nfs/dbraw/zinc/45/34/33/1076453433.db2.gz FPHGXPDFXGOOOE-HNNXBMFYSA-N 1 2 369.487 2.562 20 5 FFBDLO Cc1ccc(S(=O)(=O)N2CC[N@H+](C)C[C@@H]2CC(C)C)c(C)c1[N+](=O)[O-] ZINC001561957492 1076453434 /nfs/dbraw/zinc/45/34/34/1076453434.db2.gz FPHGXPDFXGOOOE-HNNXBMFYSA-N 1 2 369.487 2.562 20 5 FFBDLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000103474635 250152939 /nfs/dbraw/zinc/15/29/39/250152939.db2.gz DPHVULMHPZXVQY-NSHDSACASA-N 1 2 365.821 2.831 20 5 FFBDLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000103474635 250152942 /nfs/dbraw/zinc/15/29/42/250152942.db2.gz DPHVULMHPZXVQY-NSHDSACASA-N 1 2 365.821 2.831 20 5 FFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000103491957 250157583 /nfs/dbraw/zinc/15/75/83/250157583.db2.gz KJVKENMWWFTLJE-CVEARBPZSA-N 1 2 374.485 2.721 20 5 FFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000103491957 250157587 /nfs/dbraw/zinc/15/75/87/250157587.db2.gz KJVKENMWWFTLJE-CVEARBPZSA-N 1 2 374.485 2.721 20 5 FFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC1CCN(c2cccc[nH+]2)CC1 ZINC000117609103 250353017 /nfs/dbraw/zinc/35/30/17/250353017.db2.gz LMVNYSQEDTWPMG-UHFFFAOYSA-N 1 2 374.828 2.971 20 5 FFBDLO C[C@H](NC(=O)N1CC[NH+](Cc2cccnc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000271617013 251837270 /nfs/dbraw/zinc/83/72/70/251837270.db2.gz DHMWQONIYWEVKH-HNNXBMFYSA-N 1 2 369.425 2.578 20 5 FFBDLO O=[N+]([O-])c1ccc(CN(CCC[NH+]2CCOCC2)Cc2ccncc2)cc1 ZINC000272461861 252043921 /nfs/dbraw/zinc/04/39/21/252043921.db2.gz ONJYGHGOMBKGRI-UHFFFAOYSA-N 1 2 370.453 2.714 20 5 FFBDLO Cc1cc(N2CC[C@H](C)[S@](=O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000277188201 256169712 /nfs/dbraw/zinc/16/97/12/256169712.db2.gz OJJLRACEWMQCCB-ZJWNCGCPSA-N 1 2 360.439 2.708 20 5 FFBDLO COc1cc(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c([N+](=O)[O-])cc1F ZINC000277764116 256236704 /nfs/dbraw/zinc/23/67/04/256236704.db2.gz MKQGBSPNCVIMIR-OTYXRUKQSA-N 1 2 366.311 2.878 20 5 FFBDLO COc1cc(C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c([N+](=O)[O-])cc1F ZINC000277764116 256236706 /nfs/dbraw/zinc/23/67/06/256236706.db2.gz MKQGBSPNCVIMIR-OTYXRUKQSA-N 1 2 366.311 2.878 20 5 FFBDLO Cc1cc(N2CC[S@@](=O)C[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000277854461 256247343 /nfs/dbraw/zinc/24/73/43/256247343.db2.gz CNPKSNCGLMKGCU-UOXLDJKESA-N 1 2 360.439 2.565 20 5 FFBDLO COc1cc(OC)c(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(OC)c1 ZINC000278808505 256350393 /nfs/dbraw/zinc/35/03/93/256350393.db2.gz YIEJXCMCYVWHSS-UHFFFAOYSA-N 1 2 372.381 2.787 20 5 FFBDLO O=C1CCCCN1C1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000286537785 257041955 /nfs/dbraw/zinc/04/19/55/257041955.db2.gz UFJFKGXMKSOADP-UHFFFAOYSA-N 1 2 353.369 2.850 20 5 FFBDLO COc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c([N+](=O)[O-])cc1F ZINC000286664790 257048356 /nfs/dbraw/zinc/04/83/56/257048356.db2.gz UVMFRMCEPBWWEF-WDEREUQCSA-N 1 2 366.311 2.735 20 5 FFBDLO COc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c([N+](=O)[O-])cc1F ZINC000286664790 257048357 /nfs/dbraw/zinc/04/83/57/257048357.db2.gz UVMFRMCEPBWWEF-WDEREUQCSA-N 1 2 366.311 2.735 20 5 FFBDLO CCn1c(C)nc([N+](=O)[O-])c1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000288237258 257163806 /nfs/dbraw/zinc/16/38/06/257163806.db2.gz WQZYYULJKAHARM-UHFFFAOYSA-N 1 2 373.461 2.668 20 5 FFBDLO Cc1cc(NCCS(=O)(=O)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000289112769 257257652 /nfs/dbraw/zinc/25/76/52/257257652.db2.gz QFAJWNZDAPBHCM-UHFFFAOYSA-N 1 2 364.427 2.595 20 5 FFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)ccc1Br ZINC000291310394 257397120 /nfs/dbraw/zinc/39/71/20/257397120.db2.gz RNFNBZSIZQGCNT-SNVBAGLBSA-N 1 2 365.174 2.807 20 5 FFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)ccc1Br ZINC000291310394 257397121 /nfs/dbraw/zinc/39/71/21/257397121.db2.gz RNFNBZSIZQGCNT-SNVBAGLBSA-N 1 2 365.174 2.807 20 5 FFBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000301097084 258024658 /nfs/dbraw/zinc/02/46/58/258024658.db2.gz HCNKHKJOSUPODK-UHFFFAOYSA-N 1 2 351.366 2.752 20 5 FFBDLO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000302151771 258091396 /nfs/dbraw/zinc/09/13/96/258091396.db2.gz HXIRQWBSDDLDNS-MNOVXSKESA-N 1 2 361.489 2.592 20 5 FFBDLO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000302151771 258091398 /nfs/dbraw/zinc/09/13/98/258091398.db2.gz HXIRQWBSDDLDNS-MNOVXSKESA-N 1 2 361.489 2.592 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)c2ccncc21 ZINC000302762860 258109935 /nfs/dbraw/zinc/10/99/35/258109935.db2.gz KSNLAEUMWLRYAM-KRWDZBQOSA-N 1 2 353.382 2.816 20 5 FFBDLO Cn1cc[nH+]c1CN1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000301430635 258049273 /nfs/dbraw/zinc/04/92/73/258049273.db2.gz GHEHBTKFCFXHAV-UHFFFAOYSA-N 1 2 369.347 2.669 20 5 FFBDLO Cc1cc(N[C@H]2CC(=O)N(C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301481172 258052123 /nfs/dbraw/zinc/05/21/23/258052123.db2.gz DWLAKPIXCBOUBU-ZDUSSCGKSA-N 1 2 353.382 2.535 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)c1 ZINC000301593475 258057781 /nfs/dbraw/zinc/05/77/81/258057781.db2.gz ZXPPYSJKEMAEFR-CALCHBBNSA-N 1 2 374.485 2.530 20 5 FFBDLO C[C@@H]1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000301648523 258060635 /nfs/dbraw/zinc/06/06/35/258060635.db2.gz QQBNQTLEGWMTQH-BDJLRTHQSA-N 1 2 354.370 2.528 20 5 FFBDLO COC1(CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CCOCC1 ZINC000301792833 258067763 /nfs/dbraw/zinc/06/77/63/258067763.db2.gz RUQKTMRBRCZGQJ-UHFFFAOYSA-N 1 2 358.398 2.968 20 5 FFBDLO O=[N+]([O-])c1cccc(C[NH+]2CCN(c3ccc(C(F)(F)F)nn3)CC2)c1 ZINC000302001184 258080771 /nfs/dbraw/zinc/08/07/71/258080771.db2.gz QKPSCUVYMHTKBZ-UHFFFAOYSA-N 1 2 367.331 2.726 20 5 FFBDLO CS(=O)(=O)c1cccc(NCc2ccccc2-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000301990940 258080891 /nfs/dbraw/zinc/08/08/91/258080891.db2.gz MXAMFNCREIRNQL-UHFFFAOYSA-N 1 2 372.406 2.796 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H]2CCCCN2C[C@H]1C ZINC000331980686 258208770 /nfs/dbraw/zinc/20/87/70/258208770.db2.gz FHXJGHDTRNFKDV-WBVHZDCISA-N 1 2 360.458 2.790 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2CCCCN2C[C@H]1C ZINC000331980686 258208771 /nfs/dbraw/zinc/20/87/71/258208771.db2.gz FHXJGHDTRNFKDV-WBVHZDCISA-N 1 2 360.458 2.790 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H]2CCCCN2C[C@H]1C ZINC000331980679 258208785 /nfs/dbraw/zinc/20/87/85/258208785.db2.gz FHXJGHDTRNFKDV-NVXWUHKLSA-N 1 2 360.458 2.790 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H]2CCCCN2C[C@H]1C ZINC000331980679 258208786 /nfs/dbraw/zinc/20/87/86/258208786.db2.gz FHXJGHDTRNFKDV-NVXWUHKLSA-N 1 2 360.458 2.790 20 5 FFBDLO Cc1c(CNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000332124643 258215174 /nfs/dbraw/zinc/21/51/74/258215174.db2.gz CTPPXNYLDPOORK-CXAGYDPISA-N 1 2 357.414 2.892 20 5 FFBDLO CC(C)c1n[nH]c(C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)c1[N+](=O)[O-] ZINC000332239817 258220602 /nfs/dbraw/zinc/22/06/02/258220602.db2.gz PWBZYAFMCZRXNJ-NSHDSACASA-N 1 2 374.445 2.680 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1C ZINC000332428432 258230196 /nfs/dbraw/zinc/23/01/96/258230196.db2.gz CZFRCXXPCKYYBK-UHFFFAOYSA-N 1 2 364.427 2.503 20 5 FFBDLO Cc1cc(N2CC[NH+](CC(=O)Nc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000051349509 132302302 /nfs/dbraw/zinc/30/23/02/132302302.db2.gz IMJYVOZLVXEYOX-UHFFFAOYSA-N 1 2 372.400 2.803 20 5 FFBDLO COCCN(Cc1ccco1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032162961 506233914 /nfs/dbraw/zinc/23/39/14/506233914.db2.gz AHLJGMDPEHUTBG-UHFFFAOYSA-N 1 2 370.365 2.662 20 5 FFBDLO O=C(NCCOc1ccccc1F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032627739 506271712 /nfs/dbraw/zinc/27/17/12/506271712.db2.gz SAXWXZJCQYDWHB-UHFFFAOYSA-N 1 2 370.340 2.728 20 5 FFBDLO O=C(CNc1ccccc1[N+](=O)[O-])NCc1ccccc1Cn1cc[nH+]c1 ZINC000065859461 506380722 /nfs/dbraw/zinc/38/07/22/506380722.db2.gz YBQQMLCTYJQFSI-UHFFFAOYSA-N 1 2 365.393 2.568 20 5 FFBDLO O=C(CNc1ccccc1[N+](=O)[O-])NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000065869267 506383690 /nfs/dbraw/zinc/38/36/90/506383690.db2.gz NULRKVDWNOOAGY-UHFFFAOYSA-N 1 2 369.425 2.708 20 5 FFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000375283939 512249212 /nfs/dbraw/zinc/24/92/12/512249212.db2.gz HJGRDQYOKUYMEO-QGZVFWFLSA-N 1 2 367.327 2.605 20 5 FFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000375283939 512249214 /nfs/dbraw/zinc/24/92/14/512249214.db2.gz HJGRDQYOKUYMEO-QGZVFWFLSA-N 1 2 367.327 2.605 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1 ZINC000038908325 506446641 /nfs/dbraw/zinc/44/66/41/506446641.db2.gz VUDNPTMOSPQBDB-UHFFFAOYSA-N 1 2 351.410 2.789 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](CCOc3ccccc3Cl)CC2)cn1 ZINC000043784133 506779780 /nfs/dbraw/zinc/77/97/80/506779780.db2.gz RFTYRTBALGXYTE-UHFFFAOYSA-N 1 2 362.817 2.844 20 5 FFBDLO O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000067523295 506908961 /nfs/dbraw/zinc/90/89/61/506908961.db2.gz WOSKOGSOPPTCCG-UHFFFAOYSA-N 1 2 354.341 2.779 20 5 FFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccsc2)CC1 ZINC000015107139 507020353 /nfs/dbraw/zinc/02/03/53/507020353.db2.gz FFUGMJZRFFQWSX-AWEZNQCLSA-N 1 2 374.466 2.801 20 5 FFBDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000017371479 507125052 /nfs/dbraw/zinc/12/50/52/507125052.db2.gz YWQUZCBFAKNOLM-UHFFFAOYSA-N 1 2 369.421 2.870 20 5 FFBDLO Cc1ccc(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000068368344 507204746 /nfs/dbraw/zinc/20/47/46/507204746.db2.gz UQXKLCFVWOFCBZ-UHFFFAOYSA-N 1 2 355.394 2.988 20 5 FFBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000367085243 512330985 /nfs/dbraw/zinc/33/09/85/512330985.db2.gz PMWIZYNNXWQOCG-HNNXBMFYSA-N 1 2 368.418 2.991 20 5 FFBDLO COc1ccccc1[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1[nH+]ccn1C ZINC000057853501 507341832 /nfs/dbraw/zinc/34/18/32/507341832.db2.gz SQLWSLKRJHSDCU-OAHLLOKOSA-N 1 2 372.406 2.918 20 5 FFBDLO C[C@@H](C(=O)N(C)c1ccccc1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744554 507387595 /nfs/dbraw/zinc/38/75/95/507387595.db2.gz CLIOHIOIBIJMFQ-INIZCTEOSA-N 1 2 368.437 2.768 20 5 FFBDLO CN(Cc1cn2c([nH+]1)CCCC2)c1ncc(Br)cc1[N+](=O)[O-] ZINC000369311399 512346985 /nfs/dbraw/zinc/34/69/85/512346985.db2.gz GXPJRBTUDAXPHQ-UHFFFAOYSA-N 1 2 366.219 2.922 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccccc3OC(F)F)CC2)cn1 ZINC000026595057 507598891 /nfs/dbraw/zinc/59/88/91/507598891.db2.gz AJNREIBODONYAU-UHFFFAOYSA-N 1 2 364.352 2.913 20 5 FFBDLO COc1ccccc1C(=O)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000051284090 507758754 /nfs/dbraw/zinc/75/87/54/507758754.db2.gz RLCKSAKJTKEQRJ-UHFFFAOYSA-N 1 2 369.421 2.870 20 5 FFBDLO CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000031173387 507817956 /nfs/dbraw/zinc/81/79/56/507817956.db2.gz PXARMSRNYZHKTQ-AWEZNQCLSA-N 1 2 371.393 2.695 20 5 FFBDLO CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000031173387 507817957 /nfs/dbraw/zinc/81/79/57/507817957.db2.gz PXARMSRNYZHKTQ-AWEZNQCLSA-N 1 2 371.393 2.695 20 5 FFBDLO Cc1c(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cccc1[N+](=O)[O-] ZINC000078072732 507830825 /nfs/dbraw/zinc/83/08/25/507830825.db2.gz SUDTZRQLCDBUPC-GOSISDBHSA-N 1 2 355.394 2.743 20 5 FFBDLO Cc1c(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cccc1[N+](=O)[O-] ZINC000078072732 507830827 /nfs/dbraw/zinc/83/08/27/507830827.db2.gz SUDTZRQLCDBUPC-GOSISDBHSA-N 1 2 355.394 2.743 20 5 FFBDLO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000072715131 507845764 /nfs/dbraw/zinc/84/57/64/507845764.db2.gz MQUWIUAZTONKMY-AUUYWEPGSA-N 1 2 369.421 2.964 20 5 FFBDLO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000072715131 507845766 /nfs/dbraw/zinc/84/57/66/507845766.db2.gz MQUWIUAZTONKMY-AUUYWEPGSA-N 1 2 369.421 2.964 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+](CCO)Cc3ccccc3)o2)cc1 ZINC000072939395 507874688 /nfs/dbraw/zinc/87/46/88/507874688.db2.gz XCAQMWQSTIVBNA-UHFFFAOYSA-N 1 2 354.366 2.639 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+](CCO)Cc3ccccc3)o2)cc1 ZINC000072939395 507874690 /nfs/dbraw/zinc/87/46/90/507874690.db2.gz XCAQMWQSTIVBNA-UHFFFAOYSA-N 1 2 354.366 2.639 20 5 FFBDLO O=C(COc1ccc([N+](=O)[O-])cc1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000079255685 507948025 /nfs/dbraw/zinc/94/80/25/507948025.db2.gz YUXMKNIWKWHUJP-UHFFFAOYSA-N 1 2 370.409 2.675 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H]3[C@H](O)C(F)(F)F)n2)cc1 ZINC000109759341 507984588 /nfs/dbraw/zinc/98/45/88/507984588.db2.gz VFWRVRSGOPORAH-AAEUAGOBSA-N 1 2 372.303 2.532 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H]3[C@H](O)C(F)(F)F)n2)cc1 ZINC000109759341 507984591 /nfs/dbraw/zinc/98/45/91/507984591.db2.gz VFWRVRSGOPORAH-AAEUAGOBSA-N 1 2 372.303 2.532 20 5 FFBDLO C[S@@](=O)c1ccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000092048184 508037934 /nfs/dbraw/zinc/03/79/34/508037934.db2.gz UWCHPHMGRUEYOK-VWLOTQADSA-N 1 2 359.451 2.654 20 5 FFBDLO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000092704511 508095772 /nfs/dbraw/zinc/09/57/72/508095772.db2.gz YAXSWSDBLOTXBH-OAHLLOKOSA-N 1 2 374.372 2.836 20 5 FFBDLO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000092704511 508095773 /nfs/dbraw/zinc/09/57/73/508095773.db2.gz YAXSWSDBLOTXBH-OAHLLOKOSA-N 1 2 374.372 2.836 20 5 FFBDLO CCOc1cc(NCc2ccc[nH+]c2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000080769807 508102378 /nfs/dbraw/zinc/10/23/78/508102378.db2.gz MLQPYDDKDZRYFK-UHFFFAOYSA-N 1 2 358.398 2.837 20 5 FFBDLO CCO[C@H](C)c1noc(C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])n1 ZINC000075887402 508140705 /nfs/dbraw/zinc/14/07/05/508140705.db2.gz OUDNLFBEZDJELM-GFCCVEGCSA-N 1 2 350.375 2.586 20 5 FFBDLO CCO[C@H](C)c1noc(C[N@@H+](C)CCOc2ccccc2[N+](=O)[O-])n1 ZINC000075887402 508140708 /nfs/dbraw/zinc/14/07/08/508140708.db2.gz OUDNLFBEZDJELM-GFCCVEGCSA-N 1 2 350.375 2.586 20 5 FFBDLO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CC1 ZINC000371406163 512380774 /nfs/dbraw/zinc/38/07/74/512380774.db2.gz JGEGFRXRDIGPMS-UHFFFAOYSA-N 1 2 356.382 2.859 20 5 FFBDLO Cc1c(NC(=O)NCc2[nH+]ccn2CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000076033325 508152270 /nfs/dbraw/zinc/15/22/70/508152270.db2.gz YLDDHBXKNSIXQJ-UHFFFAOYSA-N 1 2 357.292 2.984 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)Cc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000076218606 508171396 /nfs/dbraw/zinc/17/13/96/508171396.db2.gz MMSQDBPESODPMI-UHFFFAOYSA-N 1 2 357.391 2.814 20 5 FFBDLO C[C@@H](CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000081798516 508212139 /nfs/dbraw/zinc/21/21/39/508212139.db2.gz JKHVNAXXHKSQIC-LBPRGKRZSA-N 1 2 366.805 2.666 20 5 FFBDLO Cc1cc(C[NH+]2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)CC2)on1 ZINC000076550246 508222823 /nfs/dbraw/zinc/22/28/23/508222823.db2.gz FQYDRDAQLZBPLQ-UHFFFAOYSA-N 1 2 353.382 2.762 20 5 FFBDLO O=C(Nc1nccs1)[C@H]1CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000114471025 508318853 /nfs/dbraw/zinc/31/88/53/508318853.db2.gz VRZGDSZYRMNADP-CYBMUJFWSA-N 1 2 362.411 2.533 20 5 FFBDLO O=C(Nc1nccs1)[C@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000114471025 508318856 /nfs/dbraw/zinc/31/88/56/508318856.db2.gz VRZGDSZYRMNADP-CYBMUJFWSA-N 1 2 362.411 2.533 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCc4ccccc4[C@@H]3CO)o2)cc1 ZINC000133879319 508463326 /nfs/dbraw/zinc/46/33/26/508463326.db2.gz ZVVFOXYKZYHCKU-KRWDZBQOSA-N 1 2 366.377 2.737 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCc4ccccc4[C@@H]3CO)o2)cc1 ZINC000133879319 508463330 /nfs/dbraw/zinc/46/33/30/508463330.db2.gz ZVVFOXYKZYHCKU-KRWDZBQOSA-N 1 2 366.377 2.737 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000152628953 508482306 /nfs/dbraw/zinc/48/23/06/508482306.db2.gz KYVZRPIIHKUFEW-XJKSGUPXSA-N 1 2 373.413 2.593 20 5 FFBDLO CN(C(=O)C[N@@H+]1CCOC2(C1)CCCCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000152819397 508521695 /nfs/dbraw/zinc/52/16/95/508521695.db2.gz WBLHRBGNQGAECX-UHFFFAOYSA-N 1 2 361.442 2.983 20 5 FFBDLO CN(C(=O)C[N@H+]1CCOC2(C1)CCCCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000152819397 508521698 /nfs/dbraw/zinc/52/16/98/508521698.db2.gz WBLHRBGNQGAECX-UHFFFAOYSA-N 1 2 361.442 2.983 20 5 FFBDLO CC(C)c1ccc(CN2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)cc1[N+](=O)[O-] ZINC000127927393 508522797 /nfs/dbraw/zinc/52/27/97/508522797.db2.gz BARZVRIWPCZKSG-HNNXBMFYSA-N 1 2 374.485 2.503 20 5 FFBDLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000117300890 508590461 /nfs/dbraw/zinc/59/04/61/508590461.db2.gz YGWKCQOBDMVOKF-UHFFFAOYSA-N 1 2 366.333 2.804 20 5 FFBDLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000135555826 508622884 /nfs/dbraw/zinc/62/28/84/508622884.db2.gz VDECULOINDNXNP-HNNXBMFYSA-N 1 2 368.397 2.888 20 5 FFBDLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000135555826 508622887 /nfs/dbraw/zinc/62/28/87/508622887.db2.gz VDECULOINDNXNP-HNNXBMFYSA-N 1 2 368.397 2.888 20 5 FFBDLO C[C@H]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H]1n1cc[nH+]c1 ZINC000128704988 508631636 /nfs/dbraw/zinc/63/16/36/508631636.db2.gz OXFROTKRRLMKLO-UGSOOPFHSA-N 1 2 367.409 2.925 20 5 FFBDLO Cc1cc(C)cc(NC(=O)C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000118866685 508688999 /nfs/dbraw/zinc/68/89/99/508688999.db2.gz QXDKRIBNIOPVTE-HNNXBMFYSA-N 1 2 369.425 2.732 20 5 FFBDLO Cc1cc(C)cc(NC(=O)C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000118866685 508689004 /nfs/dbraw/zinc/68/90/04/508689004.db2.gz QXDKRIBNIOPVTE-HNNXBMFYSA-N 1 2 369.425 2.732 20 5 FFBDLO COc1cc(OC)cc([C@H](Nc2ccc([N+](=O)[O-])cn2)c2[nH+]ccn2C)c1 ZINC000139591014 508791105 /nfs/dbraw/zinc/79/11/05/508791105.db2.gz YCPRFMVWJYVKSM-KRWDZBQOSA-N 1 2 369.381 2.942 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000147116431 508855988 /nfs/dbraw/zinc/85/59/88/508855988.db2.gz PYKDYAQXWVLLLR-UHFFFAOYSA-N 1 2 366.377 2.778 20 5 FFBDLO CN(CCCn1cc[nH+]c1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000154963577 508893317 /nfs/dbraw/zinc/89/33/17/508893317.db2.gz HQRLSPTUMARENJ-UHFFFAOYSA-N 1 2 374.444 2.900 20 5 FFBDLO O=C(C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000131344109 508918833 /nfs/dbraw/zinc/91/88/33/508918833.db2.gz GEYCVBHLZKGYDV-CQSZACIVSA-N 1 2 371.359 2.754 20 5 FFBDLO O=C(C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000131344109 508918836 /nfs/dbraw/zinc/91/88/36/508918836.db2.gz GEYCVBHLZKGYDV-CQSZACIVSA-N 1 2 371.359 2.754 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120074769 508922252 /nfs/dbraw/zinc/92/22/52/508922252.db2.gz SMVUUJDXWZPNHM-UHFFFAOYSA-N 1 2 350.806 2.966 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)Cc1cc(Cl)cn1C ZINC000120074769 508922256 /nfs/dbraw/zinc/92/22/56/508922256.db2.gz SMVUUJDXWZPNHM-UHFFFAOYSA-N 1 2 350.806 2.966 20 5 FFBDLO C[C@H](C(=O)NCCc1ccc(F)cc1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131429398 508931071 /nfs/dbraw/zinc/93/10/71/508931071.db2.gz 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O=C(C[N@H+]1CC[C@H]2OCCC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000155449796 509003576 /nfs/dbraw/zinc/00/35/76/509003576.db2.gz VNABNCUYRGPSSW-IAQYHMDHSA-N 1 2 353.806 2.688 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000126095450 509062057 /nfs/dbraw/zinc/06/20/57/509062057.db2.gz OLMCDCKUKXIJDK-CYBMUJFWSA-N 1 2 350.400 2.542 20 5 FFBDLO COC(=O)C1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000162443629 509225918 /nfs/dbraw/zinc/22/59/18/509225918.db2.gz AJLFNSVHWZTPFL-UHFFFAOYSA-N 1 2 357.204 2.742 20 5 FFBDLO COc1cccc2c1CC[N@@H+]([C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000182674139 509364656 /nfs/dbraw/zinc/36/46/56/509364656.db2.gz KZHCGCUIJGZJDO-SFHVURJKSA-N 1 2 367.405 2.767 20 5 FFBDLO COc1cccc2c1CC[N@H+]([C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000182674139 509364661 /nfs/dbraw/zinc/36/46/61/509364661.db2.gz KZHCGCUIJGZJDO-SFHVURJKSA-N 1 2 367.405 2.767 20 5 FFBDLO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179461008 509456399 /nfs/dbraw/zinc/45/63/99/509456399.db2.gz UUETUTIIKKEIIK-UHFFFAOYSA-N 1 2 361.373 2.644 20 5 FFBDLO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCc3[nH+]ccn3C)cc2[N+](=O)[O-])C1 ZINC000264361094 509480579 /nfs/dbraw/zinc/48/05/79/509480579.db2.gz YUFCHVVEAOCOTE-OKILXGFUSA-N 1 2 371.441 2.741 20 5 FFBDLO C[C@H]1CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000189490536 509602318 /nfs/dbraw/zinc/60/23/18/509602318.db2.gz MCZMPRNQTYEFOR-SWLSCSKDSA-N 1 2 350.806 2.907 20 5 FFBDLO C[C@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000189490536 509602320 /nfs/dbraw/zinc/60/23/20/509602320.db2.gz MCZMPRNQTYEFOR-SWLSCSKDSA-N 1 2 350.806 2.907 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000170676387 509714041 /nfs/dbraw/zinc/71/40/41/509714041.db2.gz XFTGTHZJNWHQKR-CQSZACIVSA-N 1 2 366.381 2.523 20 5 FFBDLO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000268033500 509726654 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FQDKCIUBICJBRB-INIZCTEOSA-N 1 2 370.365 2.566 20 5 FFBDLO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000193840173 510094777 /nfs/dbraw/zinc/09/47/77/510094777.db2.gz QMLIESQQLLHCPT-INIZCTEOSA-N 1 2 367.833 2.508 20 5 FFBDLO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000193840173 510094785 /nfs/dbraw/zinc/09/47/85/510094785.db2.gz QMLIESQQLLHCPT-INIZCTEOSA-N 1 2 367.833 2.508 20 5 FFBDLO C[C@@H](c1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1)[NH+]1CCOCC1 ZINC000269275710 510320258 /nfs/dbraw/zinc/32/02/58/510320258.db2.gz IQOWTBQTTGEZSO-ZDUSSCGKSA-N 1 2 371.393 2.946 20 5 FFBDLO C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246208683 510363571 /nfs/dbraw/zinc/36/35/71/510363571.db2.gz XECUJBIXFGNJOR-VXGBXAGGSA-N 1 2 360.418 2.918 20 5 FFBDLO C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246208683 510363578 /nfs/dbraw/zinc/36/35/78/510363578.db2.gz XECUJBIXFGNJOR-VXGBXAGGSA-N 1 2 360.418 2.918 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC000185173341 510728642 /nfs/dbraw/zinc/72/86/42/510728642.db2.gz LEZOKDLUTBDNMK-LLVKDONJSA-N 1 2 361.402 2.873 20 5 FFBDLO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000182125652 510770295 /nfs/dbraw/zinc/77/02/95/510770295.db2.gz UAWAFRMLNGKPEB-UHFFFAOYSA-N 1 2 370.409 2.613 20 5 FFBDLO Cc1ccc(CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)c(C)[nH+]1 ZINC000185248480 510770856 /nfs/dbraw/zinc/77/08/56/510770856.db2.gz IYGWNVIKJMSVGX-SFHVURJKSA-N 1 2 354.366 2.574 20 5 FFBDLO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)n1 ZINC000191691069 510788004 /nfs/dbraw/zinc/78/80/04/510788004.db2.gz AXEAQSFRUJWOAQ-UHFFFAOYSA-N 1 2 354.370 2.828 20 5 FFBDLO CC[C@@](C)([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000182184298 510800101 /nfs/dbraw/zinc/80/01/01/510800101.db2.gz CSDFTQLZLSKBGT-OAHLLOKOSA-N 1 2 369.468 2.740 20 5 FFBDLO C[C@H]1OCC[C@]12C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CCO2 ZINC000294089306 510951628 /nfs/dbraw/zinc/95/16/28/510951628.db2.gz LRFSVFCOLLKVIN-ABAIWWIYSA-N 1 2 360.332 2.993 20 5 FFBDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CCO2 ZINC000294089306 510951633 /nfs/dbraw/zinc/95/16/33/510951633.db2.gz LRFSVFCOLLKVIN-ABAIWWIYSA-N 1 2 360.332 2.993 20 5 FFBDLO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000270693154 510952638 /nfs/dbraw/zinc/95/26/38/510952638.db2.gz KGNNYSGPJXPAEM-CYBMUJFWSA-N 1 2 366.381 2.523 20 5 FFBDLO Cc1cccc2[nH+]c(CNC(=O)N(C)CCc3cccc([N+](=O)[O-])c3)cn21 ZINC000282763902 511101660 /nfs/dbraw/zinc/10/16/60/511101660.db2.gz NNLWFWSFSTYXOQ-UHFFFAOYSA-N 1 2 367.409 2.935 20 5 FFBDLO C[C@@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000271240911 511134158 /nfs/dbraw/zinc/13/41/58/511134158.db2.gz HMYQEAMQECLTLA-QWRGUYRKSA-N 1 2 361.489 2.592 20 5 FFBDLO C[C@@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000271240911 511134160 /nfs/dbraw/zinc/13/41/60/511134160.db2.gz HMYQEAMQECLTLA-QWRGUYRKSA-N 1 2 361.489 2.592 20 5 FFBDLO CC(C)[C@@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000271326109 511164873 /nfs/dbraw/zinc/16/48/73/511164873.db2.gz AAOLIGKAKMXHAU-PBHICJAKSA-N 1 2 358.398 2.714 20 5 FFBDLO COc1cc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cc(OC)c1O ZINC000298788736 511411018 /nfs/dbraw/zinc/41/10/18/511411018.db2.gz IBMGNCSOLCVDLQ-UHFFFAOYSA-N 1 2 373.409 2.640 20 5 FFBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)c1 ZINC000272179835 511456112 /nfs/dbraw/zinc/45/61/12/511456112.db2.gz CQSUEGDMUYODRY-OAHLLOKOSA-N 1 2 373.461 2.837 20 5 FFBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)c1 ZINC000272179835 511456114 /nfs/dbraw/zinc/45/61/14/511456114.db2.gz CQSUEGDMUYODRY-OAHLLOKOSA-N 1 2 373.461 2.837 20 5 FFBDLO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCn2cc(C)[nH+]c2C1 ZINC000365568418 511532659 /nfs/dbraw/zinc/53/26/59/511532659.db2.gz VUKNGPCANUQMHV-UHFFFAOYSA-N 1 2 350.762 2.560 20 5 FFBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)Cc1[nH+]ccn1C ZINC000284670733 511817442 /nfs/dbraw/zinc/81/74/42/511817442.db2.gz ZCWUKWFYHHQODD-UHFFFAOYSA-N 1 2 367.203 2.671 20 5 FFBDLO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000366178284 511882647 /nfs/dbraw/zinc/88/26/47/511882647.db2.gz GTBUZLYHIAKOGL-INIZCTEOSA-N 1 2 369.421 2.595 20 5 FFBDLO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000366178284 511882649 /nfs/dbraw/zinc/88/26/49/511882649.db2.gz GTBUZLYHIAKOGL-INIZCTEOSA-N 1 2 369.421 2.595 20 5 FFBDLO COC[C@@]1(C)CC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000296773467 511891223 /nfs/dbraw/zinc/89/12/23/511891223.db2.gz PWNFKPNEHKHJCY-ZBEGNZNMSA-N 1 2 355.822 2.934 20 5 FFBDLO COC[C@@]1(C)CC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000296773467 511891230 /nfs/dbraw/zinc/89/12/30/511891230.db2.gz PWNFKPNEHKHJCY-ZBEGNZNMSA-N 1 2 355.822 2.934 20 5 FFBDLO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000364038618 511921419 /nfs/dbraw/zinc/92/14/19/511921419.db2.gz WSRPSCWSLJJPDZ-NSHDSACASA-N 1 2 372.353 2.656 20 5 FFBDLO COc1cc(Cc2noc(C[C@H](C)n3cc[nH+]c3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000351462544 512051063 /nfs/dbraw/zinc/05/10/63/512051063.db2.gz UDLJPJARIFENKK-NSHDSACASA-N 1 2 373.369 2.586 20 5 FFBDLO COc1cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c([N+](=O)[O-])cc1F ZINC000373972755 512599902 /nfs/dbraw/zinc/59/99/02/512599902.db2.gz OBECNZPELHJMLO-FHSNZYRGSA-N 1 2 368.405 2.901 20 5 FFBDLO COc1cc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c([N+](=O)[O-])cc1F ZINC000373972755 512599906 /nfs/dbraw/zinc/59/99/06/512599906.db2.gz OBECNZPELHJMLO-FHSNZYRGSA-N 1 2 368.405 2.901 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000373974991 512601500 /nfs/dbraw/zinc/60/15/00/512601500.db2.gz SYXGJNWTHHAYSG-DEYYWGMASA-N 1 2 350.415 2.762 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000373974991 512601503 /nfs/dbraw/zinc/60/15/03/512601503.db2.gz SYXGJNWTHHAYSG-DEYYWGMASA-N 1 2 350.415 2.762 20 5 FFBDLO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000374002870 512615605 /nfs/dbraw/zinc/61/56/05/512615605.db2.gz WRDDYNFYVZXSKJ-MRXNPFEDSA-N 1 2 366.381 2.871 20 5 FFBDLO Cc1nnc([C@H]2CCCC[N@@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])[nH]1 ZINC000411396563 512615801 /nfs/dbraw/zinc/61/58/01/512615801.db2.gz JXCBWWNIBISSSR-OAHLLOKOSA-N 1 2 358.402 2.577 20 5 FFBDLO Cc1nnc([C@H]2CCCC[N@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])[nH]1 ZINC000411396563 512615803 /nfs/dbraw/zinc/61/58/03/512615803.db2.gz JXCBWWNIBISSSR-OAHLLOKOSA-N 1 2 358.402 2.577 20 5 FFBDLO COc1cc(CN[C@@H]2C[N@H+](C)Cc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000378271391 512668841 /nfs/dbraw/zinc/66/88/41/512668841.db2.gz MQOSPVFFKODGHS-MRXNPFEDSA-N 1 2 357.410 2.888 20 5 FFBDLO COc1cc(CN[C@@H]2C[N@@H+](C)Cc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000378271391 512668844 /nfs/dbraw/zinc/66/88/44/512668844.db2.gz MQOSPVFFKODGHS-MRXNPFEDSA-N 1 2 357.410 2.888 20 5 FFBDLO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000376157831 512687316 /nfs/dbraw/zinc/68/73/16/512687316.db2.gz MESKMJAKSXPPBA-ZDUSSCGKSA-N 1 2 370.409 2.651 20 5 FFBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000374383065 512805595 /nfs/dbraw/zinc/80/55/95/512805595.db2.gz CRZOAPRYRVAWQK-APWZRJJASA-N 1 2 368.437 2.732 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1CNc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000372392944 512849097 /nfs/dbraw/zinc/84/90/97/512849097.db2.gz NFSGMAHOQVPZIN-UHFFFAOYSA-N 1 2 350.382 2.856 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)c1F ZINC000376549975 512868339 /nfs/dbraw/zinc/86/83/39/512868339.db2.gz BYUBPZZLKILZEQ-UHFFFAOYSA-N 1 2 358.373 2.836 20 5 FFBDLO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000398049521 512953030 /nfs/dbraw/zinc/95/30/30/512953030.db2.gz CRVUMRCUPZTSFS-RHSMWYFYSA-N 1 2 369.421 2.941 20 5 FFBDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000398049521 512953035 /nfs/dbraw/zinc/95/30/35/512953035.db2.gz CRVUMRCUPZTSFS-RHSMWYFYSA-N 1 2 369.421 2.941 20 5 FFBDLO O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000368554403 512998074 /nfs/dbraw/zinc/99/80/74/512998074.db2.gz KVTVQRYTWDHVBK-GOEBONIOSA-N 1 2 367.833 2.621 20 5 FFBDLO CC(C)c1n[nH]c(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000433767918 513146188 /nfs/dbraw/zinc/14/61/88/513146188.db2.gz ZBSLIVKQSFCZFA-CQSZACIVSA-N 1 2 371.441 2.788 20 5 FFBDLO CC(C)c1n[nH]c(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000433767918 513146189 /nfs/dbraw/zinc/14/61/89/513146189.db2.gz ZBSLIVKQSFCZFA-CQSZACIVSA-N 1 2 371.441 2.788 20 5 FFBDLO CC(C)c1[nH]nc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000433767918 513146192 /nfs/dbraw/zinc/14/61/92/513146192.db2.gz ZBSLIVKQSFCZFA-CQSZACIVSA-N 1 2 371.441 2.788 20 5 FFBDLO CC(C)c1[nH]nc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000433767918 513146193 /nfs/dbraw/zinc/14/61/93/513146193.db2.gz ZBSLIVKQSFCZFA-CQSZACIVSA-N 1 2 371.441 2.788 20 5 FFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000428697534 513168050 /nfs/dbraw/zinc/16/80/50/513168050.db2.gz AGRDYNNRBXFNNT-CQSZACIVSA-N 1 2 352.456 2.947 20 5 FFBDLO CC(C)(C)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@H]1O ZINC000450424052 513189158 /nfs/dbraw/zinc/18/91/58/513189158.db2.gz JWKZXWVQYAONHO-WMLDXEAASA-N 1 2 372.425 2.650 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000439912754 513208205 /nfs/dbraw/zinc/20/82/05/513208205.db2.gz KLMOXUJAROYBIX-UHFFFAOYSA-N 1 2 374.397 2.936 20 5 FFBDLO CC1(C)C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C(C)(C)O1 ZINC000450466538 513209427 /nfs/dbraw/zinc/20/94/27/513209427.db2.gz JGXHMNFWPUVYOV-HNNXBMFYSA-N 1 2 358.398 2.856 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000439926652 513212888 /nfs/dbraw/zinc/21/28/88/513212888.db2.gz WRWVDLMBKVZMHW-JKSUJKDBSA-N 1 2 370.409 2.669 20 5 FFBDLO CCc1cc(CCC[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)on1 ZINC000450555341 513249457 /nfs/dbraw/zinc/24/94/57/513249457.db2.gz AQIRIRLSCAFUCO-UHFFFAOYSA-N 1 2 372.425 2.536 20 5 FFBDLO C[C@@H]1CN(c2ccc(CNc3ncc([N+](=O)[O-])cc3F)c[nH+]2)C[C@H](C)O1 ZINC000413058792 513414227 /nfs/dbraw/zinc/41/42/27/513414227.db2.gz IOXRCHGKPXWUKX-TXEJJXNPSA-N 1 2 361.377 2.750 20 5 FFBDLO COC[C@@H]1CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000450951639 513422928 /nfs/dbraw/zinc/42/29/28/513422928.db2.gz XXTZZHCWOYNOHV-MRXNPFEDSA-N 1 2 363.458 2.680 20 5 FFBDLO CC[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H](CC)O1 ZINC000421954790 513491729 /nfs/dbraw/zinc/49/17/29/513491729.db2.gz ORDLULWRXMAXMC-GASCZTMLSA-N 1 2 358.398 2.810 20 5 FFBDLO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCC(C)(C)[NH+]1CCOCC1 ZINC000447810703 513576241 /nfs/dbraw/zinc/57/62/41/513576241.db2.gz AIHOOMBWUPRMGQ-UHFFFAOYSA-N 1 2 371.821 2.558 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1CN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000430201601 513587400 /nfs/dbraw/zinc/58/74/00/513587400.db2.gz DLSGSXNWRGMQOL-UHFFFAOYSA-N 1 2 357.410 2.627 20 5 FFBDLO CCNC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000425535169 513626199 /nfs/dbraw/zinc/62/61/99/513626199.db2.gz GXGCXTVBRJDTNU-GOSISDBHSA-N 1 2 369.421 2.666 20 5 FFBDLO CCNC(=O)[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000425535169 513626204 /nfs/dbraw/zinc/62/62/04/513626204.db2.gz GXGCXTVBRJDTNU-GOSISDBHSA-N 1 2 369.421 2.666 20 5 FFBDLO C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546031 513822768 /nfs/dbraw/zinc/82/27/68/513822768.db2.gz IPJWCTNIMQPNFI-YPMHNXCESA-N 1 2 359.348 2.841 20 5 FFBDLO C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546031 513822774 /nfs/dbraw/zinc/82/27/74/513822774.db2.gz IPJWCTNIMQPNFI-YPMHNXCESA-N 1 2 359.348 2.841 20 5 FFBDLO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436876003 514018433 /nfs/dbraw/zinc/01/84/33/514018433.db2.gz ZWDLVRQTOBVESC-KDOFPFPSSA-N 1 2 369.421 2.941 20 5 FFBDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436876003 514018434 /nfs/dbraw/zinc/01/84/34/514018434.db2.gz ZWDLVRQTOBVESC-KDOFPFPSSA-N 1 2 369.421 2.941 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451880378 514041949 /nfs/dbraw/zinc/04/19/49/514041949.db2.gz WALHFNLNRZKHNW-LBPRGKRZSA-N 1 2 361.364 2.919 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451880378 514041952 /nfs/dbraw/zinc/04/19/52/514041952.db2.gz WALHFNLNRZKHNW-LBPRGKRZSA-N 1 2 361.364 2.919 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@H]([C@H](O)C(F)(F)F)C3)co2)cc1 ZINC000451881238 514042207 /nfs/dbraw/zinc/04/22/07/514042207.db2.gz BEAHTSKSHZEELJ-FZMZJTMJSA-N 1 2 371.315 2.995 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@H]([C@H](O)C(F)(F)F)C3)co2)cc1 ZINC000451881238 514042214 /nfs/dbraw/zinc/04/22/14/514042214.db2.gz BEAHTSKSHZEELJ-FZMZJTMJSA-N 1 2 371.315 2.995 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000426856807 514060415 /nfs/dbraw/zinc/06/04/15/514060415.db2.gz DKHVDVIGHVWYNU-UHFFFAOYSA-N 1 2 366.377 2.778 20 5 FFBDLO COc1cccc(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)c1[N+](=O)[O-] ZINC000443906877 514068024 /nfs/dbraw/zinc/06/80/24/514068024.db2.gz JYAHHRCHJAYBSU-UHFFFAOYSA-N 1 2 360.757 2.835 20 5 FFBDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000451931593 514080106 /nfs/dbraw/zinc/08/01/06/514080106.db2.gz 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COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c([N+](=O)[O-])c1 ZINC000470934389 514678587 /nfs/dbraw/zinc/67/85/87/514678587.db2.gz VZRPRWUHNUKYJP-MWLCHTKSSA-N 1 2 361.320 2.815 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c([N+](=O)[O-])c1 ZINC000470934389 514678597 /nfs/dbraw/zinc/67/85/97/514678597.db2.gz VZRPRWUHNUKYJP-MWLCHTKSSA-N 1 2 361.320 2.815 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCN(CC)[C@H](c2ncc[nH]2)C1 ZINC000471068924 514739296 /nfs/dbraw/zinc/73/92/96/514739296.db2.gz KWXKLUYTVXDDJQ-INIZCTEOSA-N 1 2 359.430 2.595 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCN(CC)[C@H](c2ncc[nH]2)C1 ZINC000471068924 514739308 /nfs/dbraw/zinc/73/93/08/514739308.db2.gz KWXKLUYTVXDDJQ-INIZCTEOSA-N 1 2 359.430 2.595 20 5 FFBDLO CC1(C)C[S@](=O)CC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000502881655 514825971 /nfs/dbraw/zinc/82/59/71/514825971.db2.gz SGCQZJPUALLUOG-RUZDIDTESA-N 1 2 363.439 2.635 20 5 FFBDLO CC1(C)C[S@](=O)CC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000502881655 514825975 /nfs/dbraw/zinc/82/59/75/514825975.db2.gz SGCQZJPUALLUOG-RUZDIDTESA-N 1 2 363.439 2.635 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000489871094 515008469 /nfs/dbraw/zinc/00/84/69/515008469.db2.gz LUDALFYTLUFAJY-JTQLQIEISA-N 1 2 368.315 2.977 20 5 FFBDLO COc1cc(C[NH+]2CCN(CC(F)(F)C(F)F)CC2)ccc1[N+](=O)[O-] ZINC000485450893 515046507 /nfs/dbraw/zinc/04/65/07/515046507.db2.gz KLNUJWWWJYFZCQ-UHFFFAOYSA-N 1 2 365.327 2.621 20 5 FFBDLO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)cc1OC ZINC000456382982 515143558 /nfs/dbraw/zinc/14/35/58/515143558.db2.gz NFCIGZMLDQFGQZ-JQWIXIFHSA-N 1 2 360.370 2.634 20 5 FFBDLO CCOC(=O)CC(C)(C)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000490272524 515162216 /nfs/dbraw/zinc/16/22/16/515162216.db2.gz LTCBQBDVHABIJM-UHFFFAOYSA-N 1 2 374.397 2.584 20 5 FFBDLO CCOC(=O)C1(CNc2cc(CC)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000472665278 515357276 /nfs/dbraw/zinc/35/72/76/515357276.db2.gz IHWMPDKHHLPTQE-UHFFFAOYSA-N 1 2 370.409 2.791 20 5 FFBDLO CCOc1cc(C[NH+]2CCN(c3nc(C)cc(C)n3)CC2)ccc1[N+](=O)[O-] ZINC000491599547 515458852 /nfs/dbraw/zinc/45/88/52/515458852.db2.gz SBAOEXYBLZVHIH-UHFFFAOYSA-N 1 2 371.441 2.723 20 5 FFBDLO O=C(C[N@H+]1Cc2ccc(O)cc2C2(CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000463416693 515484731 /nfs/dbraw/zinc/48/47/31/515484731.db2.gz NGHRVLZDTBQRIP-UHFFFAOYSA-N 1 2 353.378 2.786 20 5 FFBDLO O=C(C[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000463416693 515484740 /nfs/dbraw/zinc/48/47/40/515484740.db2.gz NGHRVLZDTBQRIP-UHFFFAOYSA-N 1 2 353.378 2.786 20 5 FFBDLO CC[NH+](CC)[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC000505319266 515504674 /nfs/dbraw/zinc/50/46/74/515504674.db2.gz GAXZKMMRLOCJKF-MRXNPFEDSA-N 1 2 371.437 2.983 20 5 FFBDLO O=C(C[NH2+][C@H](CO)c1cccc(Cl)c1F)Nc1ccccc1[N+](=O)[O-] ZINC000499963966 515539426 /nfs/dbraw/zinc/53/94/26/515539426.db2.gz KYCWPXYAMHPTPZ-CYBMUJFWSA-N 1 2 367.764 2.649 20 5 FFBDLO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000510745311 515655684 /nfs/dbraw/zinc/65/56/84/515655684.db2.gz KGZAFWWWDJIUGS-KRWDZBQOSA-N 1 2 372.368 2.665 20 5 FFBDLO CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000510745311 515655691 /nfs/dbraw/zinc/65/56/91/515655691.db2.gz KGZAFWWWDJIUGS-KRWDZBQOSA-N 1 2 372.368 2.665 20 5 FFBDLO CC(C)(C)C1=CC[N@H+](CCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000505883475 515709815 /nfs/dbraw/zinc/70/98/15/515709815.db2.gz BFEYTXPFHDOBOS-UHFFFAOYSA-N 1 2 371.441 2.879 20 5 FFBDLO CC(C)(C)C1=CC[N@@H+](CCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000505883475 515709821 /nfs/dbraw/zinc/70/98/21/515709821.db2.gz BFEYTXPFHDOBOS-UHFFFAOYSA-N 1 2 371.441 2.879 20 5 FFBDLO CCOC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-] ZINC000459722652 515769853 /nfs/dbraw/zinc/76/98/53/515769853.db2.gz UXPKQTMQMGLLOA-CQSZACIVSA-N 1 2 365.430 2.823 20 5 FFBDLO CCOC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-] ZINC000459722652 515769862 /nfs/dbraw/zinc/76/98/62/515769862.db2.gz UXPKQTMQMGLLOA-CQSZACIVSA-N 1 2 365.430 2.823 20 5 FFBDLO COc1cc(C[NH2+][C@H](C)c2ccn(C)n2)c([N+](=O)[O-])cc1OC(F)F ZINC000459775093 515799412 /nfs/dbraw/zinc/79/94/12/515799412.db2.gz CRKRICDTSSBDDX-SECBINFHSA-N 1 2 356.329 2.789 20 5 FFBDLO COc1ccc(-c2ccc(C[NH2+][C@@H](C)c3ncnn3C)o2)c([N+](=O)[O-])c1 ZINC000473981511 515829971 /nfs/dbraw/zinc/82/99/71/515829971.db2.gz FGWJYWRLMDSMBG-NSHDSACASA-N 1 2 357.370 2.843 20 5 FFBDLO C[C@@H]1COC[C@@H](c2ccccc2)[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000501046692 515951406 /nfs/dbraw/zinc/95/14/06/515951406.db2.gz MLKCFQZZESSSEG-BPAFIMBUSA-N 1 2 372.421 2.797 20 5 FFBDLO C[C@@H]1COC[C@@H](c2ccccc2)[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000501046692 515951415 /nfs/dbraw/zinc/95/14/15/515951415.db2.gz MLKCFQZZESSSEG-BPAFIMBUSA-N 1 2 372.421 2.797 20 5 FFBDLO CCc1c[nH+]ccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000465463635 516161244 /nfs/dbraw/zinc/16/12/44/516161244.db2.gz XSJBSQXQYICDRF-UHFFFAOYSA-N 1 2 364.199 2.918 20 5 FFBDLO O=C(NCCc1ccccc1[N+](=O)[O-])NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000465562240 516195604 /nfs/dbraw/zinc/19/56/04/516195604.db2.gz FQHSOZIZBQUUHS-UHFFFAOYSA-N 1 2 373.800 2.938 20 5 FFBDLO O=C(C[N@@H+]1CC[C@@H](COC(F)F)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000512818409 516372905 /nfs/dbraw/zinc/37/29/05/516372905.db2.gz TXCBTESVLUNRQI-SECBINFHSA-N 1 2 363.748 2.748 20 5 FFBDLO O=C(C[N@H+]1CC[C@@H](COC(F)F)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000512818409 516372912 /nfs/dbraw/zinc/37/29/12/516372912.db2.gz TXCBTESVLUNRQI-SECBINFHSA-N 1 2 363.748 2.748 20 5 FFBDLO COc1cc[nH+]cc1CNC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000554369021 516408215 /nfs/dbraw/zinc/40/82/15/516408215.db2.gz VZCXUTAMVQGROA-UHFFFAOYSA-N 1 2 372.200 2.752 20 5 FFBDLO Cn1cc([N+](=O)[O-])cc1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000540115491 516444842 /nfs/dbraw/zinc/44/48/42/516444842.db2.gz VLECBXFTCZCRJW-UHFFFAOYSA-N 1 2 357.414 2.639 20 5 FFBDLO C[N@H+]1Cc2ccccc2[C@H](Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000535731160 516474983 /nfs/dbraw/zinc/47/49/83/516474983.db2.gz VGWOFGQTLFSGHN-OAHLLOKOSA-N 1 2 361.423 2.597 20 5 FFBDLO C[N@@H+]1Cc2ccccc2[C@H](Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000535731160 516474990 /nfs/dbraw/zinc/47/49/90/516474990.db2.gz VGWOFGQTLFSGHN-OAHLLOKOSA-N 1 2 361.423 2.597 20 5 FFBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000523736441 516564092 /nfs/dbraw/zinc/56/40/92/516564092.db2.gz DSQIEEKCNBSXIY-UHFFFAOYSA-N 1 2 372.406 2.567 20 5 FFBDLO CCc1ccc([C@@H]([NH2+]C[C@H](C)S(C)(=O)=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544381132 516732957 /nfs/dbraw/zinc/73/29/57/516732957.db2.gz IKPCIRHQYIDGLY-SJCJKPOMSA-N 1 2 366.439 2.862 20 5 FFBDLO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccon1 ZINC000544546270 516806559 /nfs/dbraw/zinc/80/65/59/516806559.db2.gz AJWZAAJNWYHAPI-MRVPVSSYSA-N 1 2 369.175 2.635 20 5 FFBDLO CCOc1cc(C(=O)Nc2cccc3[nH+]ccn32)c([N+](=O)[O-])cc1OC ZINC000525105363 516917390 /nfs/dbraw/zinc/91/73/90/516917390.db2.gz GPCYMKPIRWDXIP-UHFFFAOYSA-N 1 2 356.338 2.902 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000541450018 517052656 /nfs/dbraw/zinc/05/26/56/517052656.db2.gz JILHZZJUOAFUHE-UHFFFAOYSA-N 1 2 355.354 2.881 20 5 FFBDLO Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c(C)n1 ZINC000555742434 517096324 /nfs/dbraw/zinc/09/63/24/517096324.db2.gz QHMYIZKBIOSPQS-UHFFFAOYSA-N 1 2 354.410 2.565 20 5 FFBDLO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3cc(O)ccc3[N+](=O)[O-])cccc21 ZINC000552215361 517145543 /nfs/dbraw/zinc/14/55/43/517145543.db2.gz UPUQYXDLXDEIKO-HNNXBMFYSA-N 1 2 357.366 2.938 20 5 FFBDLO Cc1cc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c(C)c[nH+]1 ZINC000533009237 517249384 /nfs/dbraw/zinc/24/93/84/517249384.db2.gz WNJUBKVBRPZFEA-UHFFFAOYSA-N 1 2 355.803 2.791 20 5 FFBDLO Cc1cccn2cc(CNC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)[nH+]c12 ZINC000520304826 517338091 /nfs/dbraw/zinc/33/80/91/517338091.db2.gz BMLCAQVKUPOIGE-UHFFFAOYSA-N 1 2 363.377 2.822 20 5 FFBDLO CCn1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000533304496 517393388 /nfs/dbraw/zinc/39/33/88/517393388.db2.gz VWFUEFBBBPOBEA-NSHDSACASA-N 1 2 365.821 2.924 20 5 FFBDLO CCn1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000533304496 517393394 /nfs/dbraw/zinc/39/33/94/517393394.db2.gz VWFUEFBBBPOBEA-NSHDSACASA-N 1 2 365.821 2.924 20 5 FFBDLO O=C(NC1CCCCC1)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000533357554 517424905 /nfs/dbraw/zinc/42/49/05/517424905.db2.gz UIFIFQYMZSUJFT-UHFFFAOYSA-N 1 2 360.458 2.797 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](N[C@H](CCO)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000562854680 517459109 /nfs/dbraw/zinc/45/91/09/517459109.db2.gz HQNORUBCUPDXTA-WBVHZDCISA-N 1 2 356.382 2.724 20 5 FFBDLO O=C(C1CC1)N1CCN(c2ccc(Nc3ccc([N+](=O)[O-])cc3)c[nH+]2)CC1 ZINC000538087289 517460094 /nfs/dbraw/zinc/46/00/94/517460094.db2.gz VDKIPFJIBZXTPL-UHFFFAOYSA-N 1 2 367.409 2.792 20 5 FFBDLO COc1ccc(OCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000538378997 517595628 /nfs/dbraw/zinc/59/56/28/517595628.db2.gz PYKSHFZBBIKQOT-LJQANCHMSA-N 1 2 371.437 2.971 20 5 FFBDLO COc1ccc(OCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000538378997 517595637 /nfs/dbraw/zinc/59/56/37/517595637.db2.gz PYKSHFZBBIKQOT-LJQANCHMSA-N 1 2 371.437 2.971 20 5 FFBDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000533748843 517596726 /nfs/dbraw/zinc/59/67/26/517596726.db2.gz AIZVFSURBHFCDC-OAHLLOKOSA-N 1 2 365.393 2.953 20 5 FFBDLO Cc1cc(N[C@@H](CO)CC(F)(F)F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000533783392 517610632 /nfs/dbraw/zinc/61/06/32/517610632.db2.gz KPLUNUHFGJEJHL-LLVKDONJSA-N 1 2 356.304 2.507 20 5 FFBDLO C[C@@H]1CCCN(c2ccc(C(=O)N(C)Cc3[nH]cc[nH+]3)cc2[N+](=O)[O-])C1 ZINC000521138377 517625812 /nfs/dbraw/zinc/62/58/12/517625812.db2.gz VVQZXDOOXJKZKI-CYBMUJFWSA-N 1 2 357.414 2.826 20 5 FFBDLO O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000560514826 517865079 /nfs/dbraw/zinc/86/50/79/517865079.db2.gz DKRFRWFNGTYCED-SHTZXODSSA-N 1 2 370.409 2.908 20 5 FFBDLO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000560638635 517947108 /nfs/dbraw/zinc/94/71/08/517947108.db2.gz WWOVTVQNSKRROS-LJQANCHMSA-N 1 2 369.421 2.941 20 5 FFBDLO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000560638635 517947115 /nfs/dbraw/zinc/94/71/15/517947115.db2.gz WWOVTVQNSKRROS-LJQANCHMSA-N 1 2 369.421 2.941 20 5 FFBDLO Cn1c[nH+]cc1Cc1noc(-c2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000547262405 518042385 /nfs/dbraw/zinc/04/23/85/518042385.db2.gz WMDGBELKRVOARA-UHFFFAOYSA-N 1 2 364.159 2.732 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cn(-c2ccccc2C)nn1 ZINC000584194990 518222905 /nfs/dbraw/zinc/22/29/05/518222905.db2.gz IIVCFOMSDLVOEP-UHFFFAOYSA-N 1 2 353.382 2.782 20 5 FFBDLO Cc1nn(Cc2ccc(C(=O)N[C@H](C)c3[nH]cc[nH+]3)cc2)c(C)c1[N+](=O)[O-] ZINC000569717962 518255121 /nfs/dbraw/zinc/25/51/21/518255121.db2.gz QBBQGHWTNUMMSI-GFCCVEGCSA-N 1 2 368.397 2.671 20 5 FFBDLO Cc1noc(C)c1CO[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000567012412 518309301 /nfs/dbraw/zinc/30/93/01/518309301.db2.gz KOBWRPHIGWNXPA-AWEZNQCLSA-N 1 2 371.397 2.867 20 5 FFBDLO Cc1noc(C)c1CO[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000567012412 518309305 /nfs/dbraw/zinc/30/93/05/518309305.db2.gz KOBWRPHIGWNXPA-AWEZNQCLSA-N 1 2 371.397 2.867 20 5 FFBDLO COc1c(-c2nc(Cc3cn4ccccc4[nH+]3)no2)cccc1[N+](=O)[O-] ZINC000564219682 518357893 /nfs/dbraw/zinc/35/78/93/518357893.db2.gz FICKXLNWHBPPNC-UHFFFAOYSA-N 1 2 351.322 2.892 20 5 FFBDLO Cc1[nH+]c2cc(CNc3ncc([N+](=O)[O-])cc3C(N)=O)ccc2n1C1CC1 ZINC000582072813 518577543 /nfs/dbraw/zinc/57/75/43/518577543.db2.gz JZULGPVVTUWUCP-UHFFFAOYSA-N 1 2 366.381 2.694 20 5 FFBDLO O=C(C[N@H+]1CCCCC[C@@H]1CCO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000585754815 518584561 /nfs/dbraw/zinc/58/45/61/518584561.db2.gz BRSZUYDSERNCEL-GFCCVEGCSA-N 1 2 355.822 2.814 20 5 FFBDLO O=C(C[N@@H+]1CCCCC[C@@H]1CCO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000585754815 518584565 /nfs/dbraw/zinc/58/45/65/518584565.db2.gz BRSZUYDSERNCEL-GFCCVEGCSA-N 1 2 355.822 2.814 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC([C@@H](O)C(F)(F)F)CC3)nc2c1 ZINC000576423909 518585531 /nfs/dbraw/zinc/58/55/31/518585531.db2.gz LDULLNMOEVAENN-CQSZACIVSA-N 1 2 358.320 2.606 20 5 FFBDLO Cc1cc[nH+]cc1N1CCN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)CC1 ZINC000564741046 518592164 /nfs/dbraw/zinc/59/21/64/518592164.db2.gz RDOVWHZBIVRYQL-UHFFFAOYSA-N 1 2 357.414 2.807 20 5 FFBDLO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000567966102 518803907 /nfs/dbraw/zinc/80/39/07/518803907.db2.gz OONPLVONRRKXLE-OAHLLOKOSA-N 1 2 369.487 2.574 20 5 FFBDLO CC(C)c1ccc(C[N@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000567966102 518803914 /nfs/dbraw/zinc/80/39/14/518803914.db2.gz OONPLVONRRKXLE-OAHLLOKOSA-N 1 2 369.487 2.574 20 5 FFBDLO CCc1oc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1C(=O)OC ZINC000577195389 518959738 /nfs/dbraw/zinc/95/97/38/518959738.db2.gz VBDGBLGCGKSITA-UHFFFAOYSA-N 1 2 373.409 2.859 20 5 FFBDLO Cc1cc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])c[nH+]c1N1CCCC[C@H]1C ZINC000565607246 519041267 /nfs/dbraw/zinc/04/12/67/519041267.db2.gz GHWVYVCPIIOEKU-GFCCVEGCSA-N 1 2 370.413 2.737 20 5 FFBDLO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000583196008 519125212 /nfs/dbraw/zinc/12/52/12/519125212.db2.gz LASMFVSCBLJQMV-MRXNPFEDSA-N 1 2 359.430 2.605 20 5 FFBDLO COC(=O)[C@H](Cc1ccc(C)cc1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000577802556 519260983 /nfs/dbraw/zinc/26/09/83/519260983.db2.gz JRTHQQZFUWADMM-SFHVURJKSA-N 1 2 358.394 2.656 20 5 FFBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCc2[nH]c[nH+]c2C1 ZINC000590552964 519262860 /nfs/dbraw/zinc/26/28/60/519262860.db2.gz PTCRMWFOJHAUFW-UHFFFAOYSA-N 1 2 352.803 2.648 20 5 FFBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCc2[nH+]c[nH]c2C1 ZINC000590552964 519262865 /nfs/dbraw/zinc/26/28/65/519262865.db2.gz PTCRMWFOJHAUFW-UHFFFAOYSA-N 1 2 352.803 2.648 20 5 FFBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1c[nH+]ccc1N1CCCC1 ZINC000577926251 519323141 /nfs/dbraw/zinc/32/31/41/519323141.db2.gz LOIHNWINMPGPJQ-UHFFFAOYSA-N 1 2 362.411 2.699 20 5 FFBDLO C[C@@H]1CO[C@@H](C(F)(F)F)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000591037360 519487664 /nfs/dbraw/zinc/48/76/64/519487664.db2.gz FRHKQBSSQSMQOH-ZWNOBZJWSA-N 1 2 361.320 2.575 20 5 FFBDLO C[C@@H]1CO[C@@H](C(F)(F)F)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000591037360 519487668 /nfs/dbraw/zinc/48/76/68/519487668.db2.gz FRHKQBSSQSMQOH-ZWNOBZJWSA-N 1 2 361.320 2.575 20 5 FFBDLO CN(C)c1cccnc1CN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000569396877 519528411 /nfs/dbraw/zinc/52/84/11/519528411.db2.gz RQLXHJBVADUJLU-GOSISDBHSA-N 1 2 366.425 2.669 20 5 FFBDLO COc1ccc2[nH+]c(N3CCN(c4ncccc4[N+](=O)[O-])CC3)ccc2c1 ZINC000591164265 519535940 /nfs/dbraw/zinc/53/59/40/519535940.db2.gz SKMAHYUWBNBBAB-UHFFFAOYSA-N 1 2 365.393 2.873 20 5 FFBDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000597296578 519941703 /nfs/dbraw/zinc/94/17/03/519941703.db2.gz NTTUCDJFASGFHI-CPUCHLNUSA-N 1 2 358.423 2.706 20 5 FFBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](CCCF)CC1 ZINC000600072126 520030026 /nfs/dbraw/zinc/03/00/26/520030026.db2.gz MMVIQTOMMGXKFG-CYBMUJFWSA-N 1 2 355.435 2.579 20 5 FFBDLO O=[N+]([O-])c1cc(Br)ccc1C[NH+]1CCC(OCCCO)CC1 ZINC000591845236 520059706 /nfs/dbraw/zinc/05/97/06/520059706.db2.gz VLHFQFHACYHQHX-UHFFFAOYSA-N 1 2 373.247 2.721 20 5 FFBDLO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000612778456 520139943 /nfs/dbraw/zinc/13/99/43/520139943.db2.gz UFMAKBRJWRLWNK-LBPRGKRZSA-N 1 2 370.438 2.878 20 5 FFBDLO O=[N+]([O-])c1cnccc1NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000608972815 520170361 /nfs/dbraw/zinc/17/03/61/520170361.db2.gz OUHUTUBLRZTCQO-UHFFFAOYSA-N 1 2 361.405 2.982 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000603834653 520371018 /nfs/dbraw/zinc/37/10/18/520371018.db2.gz YKKBMAMTCBRQKF-OAHLLOKOSA-N 1 2 369.425 2.820 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000603834653 520371029 /nfs/dbraw/zinc/37/10/29/520371029.db2.gz YKKBMAMTCBRQKF-OAHLLOKOSA-N 1 2 369.425 2.820 20 5 FFBDLO CC1CCN(c2ccc(CNc3ccc(C(N)=O)cc3[N+](=O)[O-])c[nH+]2)CC1 ZINC000603862010 520383321 /nfs/dbraw/zinc/38/33/21/520383321.db2.gz ARIFRJPOQXJYGO-UHFFFAOYSA-N 1 2 369.425 2.937 20 5 FFBDLO CCN(CC)c1ccc(CNC(=O)c2ccc(NC)c([N+](=O)[O-])c2)c[nH+]1 ZINC000603903656 520398029 /nfs/dbraw/zinc/39/80/29/520398029.db2.gz NBJBEDHGGFANJD-UHFFFAOYSA-N 1 2 357.414 2.808 20 5 FFBDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000609669383 520402057 /nfs/dbraw/zinc/40/20/57/520402057.db2.gz WYALQIODPJSIGH-UHFFFAOYSA-N 1 2 362.349 2.587 20 5 FFBDLO Cc1noc(C[NH2+][C@H](CCO)c2ccccc2Br)c1[N+](=O)[O-] ZINC000595426080 520463420 /nfs/dbraw/zinc/46/34/20/520463420.db2.gz PDBKQIGKZOIIDF-GFCCVEGCSA-N 1 2 370.203 2.867 20 5 FFBDLO O=C(NCc1[nH+]ccn1CC(F)(F)F)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000609876164 520467040 /nfs/dbraw/zinc/46/70/40/520467040.db2.gz XFKLYUGSZKKODM-UHFFFAOYSA-N 1 2 362.695 2.937 20 5 FFBDLO C[C@@H]1COC2(CCCC2)CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000598356277 520573358 /nfs/dbraw/zinc/57/33/58/520573358.db2.gz ZYOLRJFLVSWBMR-CQSZACIVSA-N 1 2 370.409 2.954 20 5 FFBDLO Cc1ccc2c(c1)C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000595657865 520629029 /nfs/dbraw/zinc/62/90/29/520629029.db2.gz QPJXPHCYWSKZEM-UHFFFAOYSA-N 1 2 360.435 2.735 20 5 FFBDLO Cc1ccc2c(c1)C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000595657865 520629035 /nfs/dbraw/zinc/62/90/35/520629035.db2.gz QPJXPHCYWSKZEM-UHFFFAOYSA-N 1 2 360.435 2.735 20 5 FFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000610304711 520629611 /nfs/dbraw/zinc/62/96/11/520629611.db2.gz YFHCRGHMTLPBQK-QGZVFWFLSA-N 1 2 365.393 2.746 20 5 FFBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000610310283 520631142 /nfs/dbraw/zinc/63/11/42/520631142.db2.gz HMWRSQKZNJLMPP-UHFFFAOYSA-N 1 2 371.441 2.707 20 5 FFBDLO O=C(NC1CC1)[C@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000593041495 520702074 /nfs/dbraw/zinc/70/20/74/520702074.db2.gz UTOXXKFTMDWEGB-LJQANCHMSA-N 1 2 351.406 2.800 20 5 FFBDLO O=C(NC1CC1)[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000593041495 520702083 /nfs/dbraw/zinc/70/20/83/520702083.db2.gz UTOXXKFTMDWEGB-LJQANCHMSA-N 1 2 351.406 2.800 20 5 FFBDLO COc1cc(CCNc2cc[nH+]c(C(C)(C)C)n2)c([N+](=O)[O-])cc1OC ZINC000610514430 520724180 /nfs/dbraw/zinc/72/41/80/520724180.db2.gz ZQHKNEFLXHOYFF-UHFFFAOYSA-N 1 2 360.414 2.776 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000595829098 520753733 /nfs/dbraw/zinc/75/37/33/520753733.db2.gz WEFLHTWGWZDPCK-MRXNPFEDSA-N 1 2 364.446 2.570 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000595829098 520753737 /nfs/dbraw/zinc/75/37/37/520753737.db2.gz WEFLHTWGWZDPCK-MRXNPFEDSA-N 1 2 364.446 2.570 20 5 FFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000610786791 520843797 /nfs/dbraw/zinc/84/37/97/520843797.db2.gz SHJOYXZASLSQSE-ZBFHGGJFSA-N 1 2 370.327 2.925 20 5 FFBDLO COC(=O)c1c(Cl)c(N[C@H](C)[C@@H](C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000596114679 520922098 /nfs/dbraw/zinc/92/20/98/520922098.db2.gz MTGOPNKZCBDZET-GHMZBOCLSA-N 1 2 371.821 2.556 20 5 FFBDLO Cc1nccc([C@H]2CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)n1 ZINC000618275951 520977623 /nfs/dbraw/zinc/97/76/23/520977623.db2.gz VDZFVACLBKUKFM-ZDUSSCGKSA-N 1 2 352.398 2.949 20 5 FFBDLO Cc1nccc([C@H]2CCC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)n1 ZINC000618275951 520977631 /nfs/dbraw/zinc/97/76/31/520977631.db2.gz VDZFVACLBKUKFM-ZDUSSCGKSA-N 1 2 352.398 2.949 20 5 FFBDLO CC(C)(C)NC(=O)N1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599067726 521013232 /nfs/dbraw/zinc/01/32/32/521013232.db2.gz IEAZGCVDLGQXAQ-UHFFFAOYSA-N 1 2 357.414 2.773 20 5 FFBDLO Cc1cc[nH+]c([C@H]2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])C2)c1 ZINC000599100784 521032873 /nfs/dbraw/zinc/03/28/73/521032873.db2.gz NSLPFFTUUPAOOM-ZDUSSCGKSA-N 1 2 361.423 2.696 20 5 FFBDLO Cc1cc(N[C@@H]2CCC[C@@H]([S@@](C)=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596375322 521044687 /nfs/dbraw/zinc/04/46/87/521044687.db2.gz PZENILAMIATBDP-SBTMGTPNSA-N 1 2 374.466 2.884 20 5 FFBDLO COc1ccc(-c2ccc(C[N@H+](C)CC(=O)N3CCCC3)o2)c([N+](=O)[O-])c1 ZINC000611253242 521060441 /nfs/dbraw/zinc/06/04/41/521060441.db2.gz APUYUGNGWVRVIX-UHFFFAOYSA-N 1 2 373.409 2.918 20 5 FFBDLO COc1ccc(-c2ccc(C[N@@H+](C)CC(=O)N3CCCC3)o2)c([N+](=O)[O-])c1 ZINC000611253242 521060451 /nfs/dbraw/zinc/06/04/51/521060451.db2.gz APUYUGNGWVRVIX-UHFFFAOYSA-N 1 2 373.409 2.918 20 5 FFBDLO COC(=O)c1ccc(C[N@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000611259314 521063907 /nfs/dbraw/zinc/06/39/07/521063907.db2.gz LSJHQZJFAXVUMV-UHFFFAOYSA-N 1 2 372.377 2.785 20 5 FFBDLO COC(=O)c1ccc(C[N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000611259314 521063916 /nfs/dbraw/zinc/06/39/16/521063916.db2.gz LSJHQZJFAXVUMV-UHFFFAOYSA-N 1 2 372.377 2.785 20 5 FFBDLO Cc1cc(-c2cnc(C)c([N+](=O)[O-])c2)ccc1OCC[NH+]1CCOCC1 ZINC000596629659 521177312 /nfs/dbraw/zinc/17/73/12/521177312.db2.gz MKUKMKKAUCLIGK-UHFFFAOYSA-N 1 2 357.410 2.985 20 5 FFBDLO COc1cncc(C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)n1 ZINC000599443042 521228343 /nfs/dbraw/zinc/22/83/43/521228343.db2.gz CAZFRWRLWARHEV-QAQDUYKDSA-N 1 2 372.425 2.699 20 5 FFBDLO COc1cncc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)n1 ZINC000599443042 521228353 /nfs/dbraw/zinc/22/83/53/521228353.db2.gz CAZFRWRLWARHEV-QAQDUYKDSA-N 1 2 372.425 2.699 20 5 FFBDLO Cn1cc(C[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)c([N+](=O)[O-])n1 ZINC000602456466 521354734 /nfs/dbraw/zinc/35/47/34/521354734.db2.gz XLSBTKUEJJKHJJ-UHFFFAOYSA-N 1 2 364.352 2.701 20 5 FFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C(=O)c2cccn2C)CC1 ZINC000615833502 521552718 /nfs/dbraw/zinc/55/27/18/521552718.db2.gz TYFFNOWPHPBKMT-SSZFMOIBSA-N 1 2 368.437 2.795 20 5 FFBDLO O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CC[NH+](CCCF)CC1 ZINC000627960475 523238799 /nfs/dbraw/zinc/23/87/99/523238799.db2.gz FSPSIKJZUCHXSC-UHFFFAOYSA-N 1 2 367.424 2.799 20 5 FFBDLO COC(=O)c1cc(C)nc(NCc2cn3cccc(C)c3[nH+]2)c1[N+](=O)[O-] ZINC000518232957 562106903 /nfs/dbraw/zinc/10/69/03/562106903.db2.gz BKINRUMZIYXIMY-UHFFFAOYSA-N 1 2 355.354 2.653 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821427216 606158251 /nfs/dbraw/zinc/15/82/51/606158251.db2.gz OMZSEQXGHPVWBB-UHFFFAOYSA-N 1 2 368.397 2.806 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821427216 606158253 /nfs/dbraw/zinc/15/82/53/606158253.db2.gz OMZSEQXGHPVWBB-UHFFFAOYSA-N 1 2 368.397 2.806 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000158250035 728885222 /nfs/dbraw/zinc/88/52/22/728885222.db2.gz FWJUFVIZBPABEG-AWEZNQCLSA-N 1 2 367.833 2.575 20 5 FFBDLO CC(C)Oc1cc(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)ccc1[N+](=O)[O-] ZINC000898503746 735371446 /nfs/dbraw/zinc/37/14/46/735371446.db2.gz NASSXNJVKDJKCX-CQSZACIVSA-N 1 2 353.394 2.546 20 5 FFBDLO CC(C)Oc1cc(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)ccc1[N+](=O)[O-] ZINC000898503746 735371449 /nfs/dbraw/zinc/37/14/49/735371449.db2.gz NASSXNJVKDJKCX-CQSZACIVSA-N 1 2 353.394 2.546 20 5 FFBDLO Cc1ncsc1CCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000067848979 728184446 /nfs/dbraw/zinc/18/44/46/728184446.db2.gz NNLJDPRHYJDCLA-UHFFFAOYSA-N 1 2 358.379 2.945 20 5 FFBDLO O=[N+]([O-])c1c(Br)cccc1N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000856761411 730355643 /nfs/dbraw/zinc/35/56/43/730355643.db2.gz BQOWHLOGZYEQNE-LBPRGKRZSA-N 1 2 370.247 2.658 20 5 FFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1Br ZINC000859887115 730468597 /nfs/dbraw/zinc/46/85/97/730468597.db2.gz ZPZSRPLVHXAVOW-IDFMNXDXSA-N 1 2 373.272 2.843 20 5 FFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1Br ZINC000859887115 730468598 /nfs/dbraw/zinc/46/85/98/730468598.db2.gz ZPZSRPLVHXAVOW-IDFMNXDXSA-N 1 2 373.272 2.843 20 5 FFBDLO CCON(CC)C(=O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000862454624 730703362 /nfs/dbraw/zinc/70/33/62/730703362.db2.gz WRFDBVPACRJYNF-UHFFFAOYSA-N 1 2 350.202 2.791 20 5 FFBDLO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CCO[C@@H](C(F)F)CC2)c1 ZINC000872680573 731813238 /nfs/dbraw/zinc/81/32/38/731813238.db2.gz JRWSQPCXCNKHKZ-OAHLLOKOSA-N 1 2 352.341 2.772 20 5 FFBDLO O=[N+]([O-])c1ccccc1-c1cnn(C[N@H+]2CCO[C@@H](C(F)F)CC2)c1 ZINC000872680573 731813241 /nfs/dbraw/zinc/81/32/41/731813241.db2.gz JRWSQPCXCNKHKZ-OAHLLOKOSA-N 1 2 352.341 2.772 20 5 FFBDLO C[C@H]1C[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC[C@@H](C(F)(F)F)O1 ZINC000872816620 731837027 /nfs/dbraw/zinc/83/70/27/731837027.db2.gz LCLAQCRXPFUZTI-HZMBPMFUSA-N 1 2 358.320 2.944 20 5 FFBDLO C[C@H]1C[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC[C@@H](C(F)(F)F)O1 ZINC000872816620 731837030 /nfs/dbraw/zinc/83/70/30/731837030.db2.gz LCLAQCRXPFUZTI-HZMBPMFUSA-N 1 2 358.320 2.944 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]C[C@@H](O)c1ccsc1)c1ccc([N+](=O)[O-])cc1 ZINC000780763895 738574837 /nfs/dbraw/zinc/57/48/37/738574837.db2.gz GPJASEQLNCHCIR-CVEARBPZSA-N 1 2 358.423 2.802 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCC[C@H](OC(F)F)C3)n2)c1 ZINC000781153905 738602625 /nfs/dbraw/zinc/60/26/25/738602625.db2.gz ZZHIXQIHSKJYBH-ZDUSSCGKSA-N 1 2 353.329 2.514 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CCC[C@H](OC(F)F)C3)n2)c1 ZINC000781153905 738602630 /nfs/dbraw/zinc/60/26/30/738602630.db2.gz ZZHIXQIHSKJYBH-ZDUSSCGKSA-N 1 2 353.329 2.514 20 5 FFBDLO C[C@@H]1CCOCC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878373764 732522259 /nfs/dbraw/zinc/52/22/59/732522259.db2.gz OICJZNYKZGJRAW-SNVBAGLBSA-N 1 2 352.778 2.909 20 5 FFBDLO C[C@@H]1CCOCC[N@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878373764 732522264 /nfs/dbraw/zinc/52/22/64/732522264.db2.gz OICJZNYKZGJRAW-SNVBAGLBSA-N 1 2 352.778 2.909 20 5 FFBDLO Cc1sc(C(=O)N2CC[NH+](CCCOC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000882327442 733208996 /nfs/dbraw/zinc/20/89/96/733208996.db2.gz UFUQSAKKDFUQTQ-UHFFFAOYSA-N 1 2 369.487 2.928 20 5 FFBDLO C[NH+](C)Cc1csc(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)n1 ZINC000927774232 738782078 /nfs/dbraw/zinc/78/20/78/738782078.db2.gz LKNOOUWWUYLFFI-UHFFFAOYSA-N 1 2 366.468 2.521 20 5 FFBDLO C[NH+](C)C1(c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)CC1 ZINC000896130238 735105413 /nfs/dbraw/zinc/10/54/13/735105413.db2.gz NXDXAXVTVOJFKV-UHFFFAOYSA-N 1 2 367.203 2.882 20 5 FFBDLO Cc1nc([C@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)no1 ZINC000896240717 735124286 /nfs/dbraw/zinc/12/42/86/735124286.db2.gz RWDKVRQIMCCRHE-JTQLQIEISA-N 1 2 354.313 2.877 20 5 FFBDLO Cc1nc([C@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)no1 ZINC000896240717 735124289 /nfs/dbraw/zinc/12/42/89/735124289.db2.gz RWDKVRQIMCCRHE-JTQLQIEISA-N 1 2 354.313 2.877 20 5 FFBDLO COc1cc([C@@H](C)[NH2+]Cc2ccccc2S(C)(=O)=O)cc([N+](=O)[O-])c1 ZINC000903186150 736051142 /nfs/dbraw/zinc/05/11/42/736051142.db2.gz NXKOKADERWIYCZ-GFCCVEGCSA-N 1 2 364.423 2.858 20 5 FFBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000755024674 736227349 /nfs/dbraw/zinc/22/73/49/736227349.db2.gz HHJPMXHRZQGQTB-SECBINFHSA-N 1 2 368.191 2.764 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)c(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(Cl)c1 ZINC000772045632 737780201 /nfs/dbraw/zinc/78/02/01/737780201.db2.gz WXFFCZVHEMFMSU-ZIAGYGMSSA-N 1 2 360.241 2.937 20 5 FFBDLO C[N@@H+](CC(=O)Nc1cccc(Cl)c1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776576003 738210506 /nfs/dbraw/zinc/21/05/06/738210506.db2.gz ZCEPJWKYRJCBIT-INIZCTEOSA-N 1 2 363.801 2.852 20 5 FFBDLO C[N@H+](CC(=O)Nc1cccc(Cl)c1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776576003 738210510 /nfs/dbraw/zinc/21/05/10/738210510.db2.gz ZCEPJWKYRJCBIT-INIZCTEOSA-N 1 2 363.801 2.852 20 5 FFBDLO C[C@]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)(C(N)=O)c1cccc(Cl)c1 ZINC000788486414 739248949 /nfs/dbraw/zinc/24/89/49/739248949.db2.gz VMXUQHRHFFKUKV-MRXNPFEDSA-N 1 2 351.765 2.878 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(CSC)CC1 ZINC000932589663 739474292 /nfs/dbraw/zinc/47/42/92/739474292.db2.gz NHQSHAMOZGNZOY-UHFFFAOYSA-N 1 2 353.444 2.617 20 5 FFBDLO C[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)N1CC(F)(F)F ZINC000934794298 739844093 /nfs/dbraw/zinc/84/40/93/739844093.db2.gz JCXGRLDVBFLGLD-TYNCELHUSA-N 1 2 361.364 2.585 20 5 FFBDLO C[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)N1CC(F)(F)F ZINC000934794298 739844100 /nfs/dbraw/zinc/84/41/00/739844100.db2.gz JCXGRLDVBFLGLD-TYNCELHUSA-N 1 2 361.364 2.585 20 5 FFBDLO O=C(NC[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1)C(F)(F)F ZINC000810067117 741380478 /nfs/dbraw/zinc/38/04/78/741380478.db2.gz TTZWHRZMVXQUME-JTQLQIEISA-N 1 2 363.311 2.624 20 5 FFBDLO O=C(NC[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1)C(F)(F)F ZINC000810067117 741380482 /nfs/dbraw/zinc/38/04/82/741380482.db2.gz TTZWHRZMVXQUME-JTQLQIEISA-N 1 2 363.311 2.624 20 5 FFBDLO O=C(OC/C=C/Br)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000813927497 741774789 /nfs/dbraw/zinc/77/47/89/741774789.db2.gz AEOASLNQRHXQNJ-DAFODLJHSA-N 1 2 352.144 2.846 20 5 FFBDLO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000824726992 743136786 /nfs/dbraw/zinc/13/67/86/743136786.db2.gz ZJNVALFNBPXFBQ-LBPRGKRZSA-N 1 2 351.147 2.559 20 5 FFBDLO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000824726992 743136789 /nfs/dbraw/zinc/13/67/89/743136789.db2.gz ZJNVALFNBPXFBQ-LBPRGKRZSA-N 1 2 351.147 2.559 20 5 FFBDLO Cc1cc(NCC2([NH+]3CCOCC3)CCOCC2)c(Cl)cc1[N+](=O)[O-] ZINC000840331420 747067526 /nfs/dbraw/zinc/06/75/26/747067526.db2.gz BNMXZPUTPZITKC-UHFFFAOYSA-N 1 2 369.849 2.850 20 5 FFBDLO C[C@H](CC(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC000845277393 748218236 /nfs/dbraw/zinc/21/82/36/748218236.db2.gz GTOFZDOBUXRXDF-SNVBAGLBSA-N 1 2 366.761 2.578 20 5 FFBDLO Cc1cc(C)c(CNC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000848591017 748968678 /nfs/dbraw/zinc/96/86/78/748968678.db2.gz ISZCHFFETBMPRN-UHFFFAOYSA-N 1 2 351.309 2.895 20 5 FFBDLO COc1ccc(-c2ccc(C[N@@H+]3CCCn4nncc4C3)o2)c([N+](=O)[O-])c1 ZINC000895756820 970918870 /nfs/dbraw/zinc/91/88/70/970918870.db2.gz NBNCDOGLENRKGU-UHFFFAOYSA-N 1 2 369.381 2.861 20 5 FFBDLO COc1ccc(-c2ccc(C[N@H+]3CCCn4nncc4C3)o2)c([N+](=O)[O-])c1 ZINC000895756820 970918878 /nfs/dbraw/zinc/91/88/78/970918878.db2.gz NBNCDOGLENRKGU-UHFFFAOYSA-N 1 2 369.381 2.861 20 5 FFBDLO O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000121600856 965196550 /nfs/dbraw/zinc/19/65/50/965196550.db2.gz YMHCEAJBVOZWDM-UHFFFAOYSA-N 1 2 356.313 2.937 20 5 FFBDLO Cc1cccc2c1CC[N@H+](CC(=O)N1CCc3cc([N+](=O)[O-])ccc31)C2 ZINC000729480075 966031381 /nfs/dbraw/zinc/03/13/81/966031381.db2.gz XBMWIUMBWSZQCA-UHFFFAOYSA-N 1 2 351.406 2.851 20 5 FFBDLO Cc1cccc2c1CC[N@@H+](CC(=O)N1CCc3cc([N+](=O)[O-])ccc31)C2 ZINC000729480075 966031396 /nfs/dbraw/zinc/03/13/96/966031396.db2.gz XBMWIUMBWSZQCA-UHFFFAOYSA-N 1 2 351.406 2.851 20 5 FFBDLO CCOC(=O)Cc1ccc(N2CCC[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000825701924 1013667851 /nfs/dbraw/zinc/66/78/51/1013667851.db2.gz IACVPGMBMDMFMT-HNNXBMFYSA-N 1 2 358.398 2.738 20 5 FFBDLO COc1c(O)ccc(CNc2ccccc2C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000892342397 967570856 /nfs/dbraw/zinc/57/08/56/967570856.db2.gz NBILVEDTNKXSPU-UHFFFAOYSA-N 1 2 373.409 2.753 20 5 FFBDLO COc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000874894994 1013926424 /nfs/dbraw/zinc/92/64/24/1013926424.db2.gz XDRNDBUSERQPCH-OAHLLOKOSA-N 1 2 359.357 2.529 20 5 FFBDLO C[C@@H](NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000925241341 979712052 /nfs/dbraw/zinc/71/20/52/979712052.db2.gz PMBXTLJSBQQZQV-HIFRSBDPSA-N 1 2 357.414 2.979 20 5 FFBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)cc1 ZINC000157756003 984639217 /nfs/dbraw/zinc/63/92/17/984639217.db2.gz XNYDVGFSLXODHS-ICSRJNTNSA-N 1 2 372.421 2.798 20 5 FFBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)cc1 ZINC000157756003 984639219 /nfs/dbraw/zinc/63/92/19/984639219.db2.gz XNYDVGFSLXODHS-ICSRJNTNSA-N 1 2 372.421 2.798 20 5 FFBDLO COc1ccc(C[N@H+](C)CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000154669638 990361294 /nfs/dbraw/zinc/36/12/94/990361294.db2.gz IRQXJWIYZAWRMN-UHFFFAOYSA-N 1 2 370.409 2.935 20 5 FFBDLO COc1ccc(C[N@@H+](C)CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000154669638 990361300 /nfs/dbraw/zinc/36/13/00/990361300.db2.gz IRQXJWIYZAWRMN-UHFFFAOYSA-N 1 2 370.409 2.935 20 5 FFBDLO COc1ccc([C@@H]2C[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CCO2)cc1 ZINC000879634898 1015620443 /nfs/dbraw/zinc/62/04/43/1015620443.db2.gz ZMVGUCJKDOWSJP-OALUTQOASA-N 1 2 358.394 2.710 20 5 FFBDLO COc1ccc([C@@H]2C[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CCO2)cc1 ZINC000879634898 1015620448 /nfs/dbraw/zinc/62/04/48/1015620448.db2.gz ZMVGUCJKDOWSJP-OALUTQOASA-N 1 2 358.394 2.710 20 5 FFBDLO Cn1nc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)cc1C1CC1 ZINC000813174108 995633547 /nfs/dbraw/zinc/63/35/47/995633547.db2.gz QEFUQEFJTYLGLQ-INIZCTEOSA-N 1 2 370.409 2.637 20 5 FFBDLO Cn1nc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)cc1C1CC1 ZINC000813174108 995633552 /nfs/dbraw/zinc/63/35/52/995633552.db2.gz QEFUQEFJTYLGLQ-INIZCTEOSA-N 1 2 370.409 2.637 20 5 FFBDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000727492525 995836135 /nfs/dbraw/zinc/83/61/35/995836135.db2.gz YNAFZDOIHMEQNM-QGZVFWFLSA-N 1 2 369.425 2.977 20 5 FFBDLO O=C(NCc1ccc2c(c1)C[N@@H+](Cc1ccccc1F)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001054264551 1015995907 /nfs/dbraw/zinc/99/59/07/1015995907.db2.gz JMHXDGBUCDGWTE-IEBWSBKVSA-N 1 2 369.396 2.623 20 5 FFBDLO O=C(NCc1ccc2c(c1)C[N@H+](Cc1ccccc1F)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001054264551 1015995913 /nfs/dbraw/zinc/99/59/13/1015995913.db2.gz JMHXDGBUCDGWTE-IEBWSBKVSA-N 1 2 369.396 2.623 20 5 FFBDLO Cc1ccc(C[N@H+](C)CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)s1 ZINC000728047013 996115836 /nfs/dbraw/zinc/11/58/36/996115836.db2.gz SWMAPRDGRSRNHI-UHFFFAOYSA-N 1 2 374.422 2.823 20 5 FFBDLO Cc1ccc(C[N@@H+](C)CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)s1 ZINC000728047013 996115838 /nfs/dbraw/zinc/11/58/38/996115838.db2.gz SWMAPRDGRSRNHI-UHFFFAOYSA-N 1 2 374.422 2.823 20 5 FFBDLO C[C@@H](CC(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)n1cc[nH+]c1 ZINC000845279634 998462985 /nfs/dbraw/zinc/46/29/85/998462985.db2.gz DLDDFDPYBVBJKN-NSHDSACASA-N 1 2 357.326 2.536 20 5 FFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[NH+]1CCC(c2cccnc2)CC1 ZINC000768459109 1000260988 /nfs/dbraw/zinc/26/09/88/1000260988.db2.gz JPFXQDMTOWFLJI-UHFFFAOYSA-N 1 2 354.366 2.735 20 5 FFBDLO CN(C[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000769334105 1000495603 /nfs/dbraw/zinc/49/56/03/1000495603.db2.gz MXQAMJRNHJIQPF-CYBMUJFWSA-N 1 2 365.430 2.989 20 5 FFBDLO CN(C[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000769334105 1000495609 /nfs/dbraw/zinc/49/56/09/1000495609.db2.gz MXQAMJRNHJIQPF-CYBMUJFWSA-N 1 2 365.430 2.989 20 5 FFBDLO C[C@H]1C[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC2(CCOCC2)O1 ZINC000790393997 1002351651 /nfs/dbraw/zinc/35/16/51/1002351651.db2.gz WDKGSXIULKQFDX-HNNXBMFYSA-N 1 2 372.425 2.686 20 5 FFBDLO C[C@H]1C[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC2(CCOCC2)O1 ZINC000790393997 1002351661 /nfs/dbraw/zinc/35/16/61/1002351661.db2.gz WDKGSXIULKQFDX-HNNXBMFYSA-N 1 2 372.425 2.686 20 5 FFBDLO C[C@@H](c1cccnc1)[NH+]1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804460365 1003672145 /nfs/dbraw/zinc/67/21/45/1003672145.db2.gz PTYCJWUVMSXAMO-ZDUSSCGKSA-N 1 2 357.370 2.781 20 5 FFBDLO Cc1cc(C)c(CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC001129714089 1003747579 /nfs/dbraw/zinc/74/75/79/1003747579.db2.gz LMFYXIYKTUTGJT-UHFFFAOYSA-N 1 2 365.393 2.937 20 5 FFBDLO O=C1NCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]1CC1CCCCC1 ZINC001195249935 1004923691 /nfs/dbraw/zinc/92/36/91/1004923691.db2.gz HMFCXUBDGMRZBA-GOSISDBHSA-N 1 2 361.442 2.744 20 5 FFBDLO O=C1NCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]1CC1CCCCC1 ZINC001195249935 1004923698 /nfs/dbraw/zinc/92/36/98/1004923698.db2.gz HMFCXUBDGMRZBA-GOSISDBHSA-N 1 2 361.442 2.744 20 5 FFBDLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582816 1005954425 /nfs/dbraw/zinc/95/44/25/1005954425.db2.gz VURHPTPUEOYMHZ-BBRMVZONSA-N 1 2 365.430 2.569 20 5 FFBDLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582816 1005954427 /nfs/dbraw/zinc/95/44/27/1005954427.db2.gz VURHPTPUEOYMHZ-BBRMVZONSA-N 1 2 365.430 2.569 20 5 FFBDLO O=C(NC[C@H]1CCC2(CCC2)O1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000882551440 1006429517 /nfs/dbraw/zinc/42/95/17/1006429517.db2.gz PSYAZEDETZEFFY-CQSZACIVSA-N 1 2 356.382 2.612 20 5 FFBDLO Nc1ccc(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000820504528 1008346557 /nfs/dbraw/zinc/34/65/57/1008346557.db2.gz YIRPNGFPBVYMEI-UHFFFAOYSA-N 1 2 371.784 2.946 20 5 FFBDLO CC(C)(C)c1ncc2c(n1)CC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000859443199 1008514649 /nfs/dbraw/zinc/51/46/49/1008514649.db2.gz ZTHAJMIOFHRQSQ-KRWDZBQOSA-N 1 2 356.426 2.774 20 5 FFBDLO CC(C)(C)c1ncc2c(n1)CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000859443199 1008514653 /nfs/dbraw/zinc/51/46/53/1008514653.db2.gz ZTHAJMIOFHRQSQ-KRWDZBQOSA-N 1 2 356.426 2.774 20 5 FFBDLO CCOc1ccc(C[NH+]2CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC2)cc1 ZINC000822293141 1008567410 /nfs/dbraw/zinc/56/74/10/1008567410.db2.gz MLONHPORVRIOMI-UHFFFAOYSA-N 1 2 363.458 2.565 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC001178295639 1008942042 /nfs/dbraw/zinc/94/20/42/1008942042.db2.gz UELFGSNWEFYKTD-UHFFFAOYSA-N 1 2 363.326 2.516 20 5 FFBDLO CCc1ccc(-c2nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no2)cc1[N+](=O)[O-] ZINC000823392895 1009048304 /nfs/dbraw/zinc/04/83/04/1009048304.db2.gz FEENYHRXTGKXKD-LBPRGKRZSA-N 1 2 362.386 2.939 20 5 FFBDLO C[C@H]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000126220139 1009219568 /nfs/dbraw/zinc/21/95/68/1009219568.db2.gz IYENQCPYDKTMKZ-HOCLYGCPSA-N 1 2 358.398 2.670 20 5 FFBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861396095 1009389444 /nfs/dbraw/zinc/38/94/44/1009389444.db2.gz RPIKURYMISGSLD-CQSZACIVSA-N 1 2 357.410 2.541 20 5 FFBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861670810 1009505755 /nfs/dbraw/zinc/50/57/55/1009505755.db2.gz QZKUREGKFHFGGI-YOEHRIQHSA-N 1 2 369.421 2.683 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c1C ZINC000889540108 1010008674 /nfs/dbraw/zinc/00/86/74/1010008674.db2.gz RGWFPAFZLPOEGC-JKSUJKDBSA-N 1 2 361.442 2.585 20 5 FFBDLO C[C@@H]1C[NH+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1(F)F ZINC000863274943 1010154453 /nfs/dbraw/zinc/15/44/53/1010154453.db2.gz VGLUQXQCNYSADT-XHBSWPGZSA-N 1 2 369.368 2.713 20 5 FFBDLO C[C@H](OCc1ccccc1)[C@@H]([NH3+])c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000863663885 1010280363 /nfs/dbraw/zinc/28/03/63/1010280363.db2.gz LWOCWVNDYYMYJS-YVEFUNNKSA-N 1 2 369.381 2.569 20 5 FFBDLO CCO[C@H]1C[C@H]([N@H+](C)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C12CCC2 ZINC000794632229 1010448226 /nfs/dbraw/zinc/44/82/26/1010448226.db2.gz GQSZZWSTSYOCOK-GJZGRUSLSA-N 1 2 361.398 2.740 20 5 FFBDLO CCO[C@H]1C[C@H]([N@@H+](C)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C12CCC2 ZINC000794632229 1010448233 /nfs/dbraw/zinc/44/82/33/1010448233.db2.gz GQSZZWSTSYOCOK-GJZGRUSLSA-N 1 2 361.398 2.740 20 5 FFBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000929991227 1019799362 /nfs/dbraw/zinc/79/93/62/1019799362.db2.gz WFHPTYMYMRPDAM-IRXDYDNUSA-N 1 2 354.410 2.590 20 5 FFBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC000930680306 1020131560 /nfs/dbraw/zinc/13/15/60/1020131560.db2.gz GFKSPWQZBPYDEO-OCCSQVGLSA-N 1 2 374.363 2.612 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCN(C(=O)OCC(C)C)CC1 ZINC000725802332 1020263875 /nfs/dbraw/zinc/26/38/75/1020263875.db2.gz YKIYNKDZHYPRNI-UHFFFAOYSA-N 1 2 365.430 2.904 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCN(C(=O)OCC(C)C)CC1 ZINC000725802332 1020263884 /nfs/dbraw/zinc/26/38/84/1020263884.db2.gz YKIYNKDZHYPRNI-UHFFFAOYSA-N 1 2 365.430 2.904 20 5 FFBDLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000778051521 1020664079 /nfs/dbraw/zinc/66/40/79/1020664079.db2.gz DEVZCTPTOJUNPC-MRXNPFEDSA-N 1 2 361.348 2.990 20 5 FFBDLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000778051521 1020664082 /nfs/dbraw/zinc/66/40/82/1020664082.db2.gz DEVZCTPTOJUNPC-MRXNPFEDSA-N 1 2 361.348 2.990 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000749661695 1021017720 /nfs/dbraw/zinc/01/77/20/1021017720.db2.gz HHSRWNYTXYMXNG-QZTJIDSGSA-N 1 2 370.384 2.880 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000749665593 1021018749 /nfs/dbraw/zinc/01/87/49/1021018749.db2.gz NAJGFHRBZFYSOO-ZWKOTPCHSA-N 1 2 370.384 2.880 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)cc(Br)c1O[C@H]1C[NH2+]CC1(F)F ZINC001218236172 1033064176 /nfs/dbraw/zinc/06/41/76/1033064176.db2.gz HEGQNAUBDPVQLS-QMMMGPOBSA-N 1 2 357.538 2.997 20 5 FFBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(C2CC2)cc1 ZINC001039583285 1022768318 /nfs/dbraw/zinc/76/83/18/1022768318.db2.gz KGOFAERDCGEBNL-IYWMVGAKSA-N 1 2 369.465 2.795 20 5 FFBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(C2CC2)cc1 ZINC001039583285 1022768329 /nfs/dbraw/zinc/76/83/29/1022768329.db2.gz KGOFAERDCGEBNL-IYWMVGAKSA-N 1 2 369.465 2.795 20 5 FFBDLO CC1CCN(c2ccc(C(=O)OCc3c[nH+]cn3C)cc2[N+](=O)[O-])CC1 ZINC000753145189 1023278947 /nfs/dbraw/zinc/27/89/47/1023278947.db2.gz WQNUMTPSRGORMB-UHFFFAOYSA-N 1 2 358.398 2.922 20 5 FFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000193435005 1024516073 /nfs/dbraw/zinc/51/60/73/1024516073.db2.gz XPXRPNWRWDCSKQ-UHFFFAOYSA-N 1 2 368.393 2.673 20 5 FFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CCCN(c2ccccc2)CC1 ZINC000193435005 1024516078 /nfs/dbraw/zinc/51/60/78/1024516078.db2.gz XPXRPNWRWDCSKQ-UHFFFAOYSA-N 1 2 368.393 2.673 20 5 FFBDLO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000840190249 1027004074 /nfs/dbraw/zinc/00/40/74/1027004074.db2.gz URCJOCAODJCTBD-INIZCTEOSA-N 1 2 354.410 2.898 20 5 FFBDLO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[N@H+]1CC[C@H](C2CCC2)C1 ZINC000840190249 1027004084 /nfs/dbraw/zinc/00/40/84/1027004084.db2.gz URCJOCAODJCTBD-INIZCTEOSA-N 1 2 354.410 2.898 20 5 FFBDLO O=c1[nH]cc([N+](=O)[O-])cc1-c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001212935841 1027435770 /nfs/dbraw/zinc/43/57/70/1027435770.db2.gz PUTJQOQIUHYJJS-UHFFFAOYSA-N 1 2 350.294 2.598 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1ccc([N+](=O)[O-])cc1 ZINC000780765338 1028798993 /nfs/dbraw/zinc/79/89/93/1028798993.db2.gz YHRNWOUUTXUSJV-SJLPKXTDSA-N 1 2 372.450 2.977 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000780763473 1028799404 /nfs/dbraw/zinc/79/94/04/1028799404.db2.gz GLWWFXZESOIZDR-ROUUACIJSA-N 1 2 370.384 2.880 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cn[nH]c3)CC2)nc1-c1ccccc1 ZINC001164098794 1029172592 /nfs/dbraw/zinc/17/25/92/1029172592.db2.gz GIPNSAVEWPLHFZ-UHFFFAOYSA-N 1 2 364.409 2.702 20 5 FFBDLO Nc1[nH]c2cc(C(=O)n3c4ccccc4cc4c(=O)c(N)ccc3-4)ccc2[nH+]1 ZINC001156975539 1029428758 /nfs/dbraw/zinc/42/87/58/1029428758.db2.gz PFQJJXAQPRCXPC-UHFFFAOYSA-N 1 2 369.384 2.836 20 5 FFBDLO NC(Cc1cccc(F)c1)=[NH+]O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000783152440 1029929701 /nfs/dbraw/zinc/92/97/01/1029929701.db2.gz OMWBHDYXFDAJDP-MRXNPFEDSA-N 1 2 372.356 2.580 20 5 FFBDLO Cc1cc([N+](=O)[O-])cnc1N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001165983804 1030189267 /nfs/dbraw/zinc/18/92/67/1030189267.db2.gz FQPDOQUTXCHOQI-UHFFFAOYSA-N 1 2 369.425 2.569 20 5 FFBDLO Cc1nn(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000797418307 1031105773 /nfs/dbraw/zinc/10/57/73/1031105773.db2.gz ROJRGAZPRYURHM-TYILLQQXSA-N 1 2 374.441 2.869 20 5 FFBDLO Cc1nn(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000797418307 1031105789 /nfs/dbraw/zinc/10/57/89/1031105789.db2.gz ROJRGAZPRYURHM-TYILLQQXSA-N 1 2 374.441 2.869 20 5 FFBDLO COc1c(C)c[nH+]c(CNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c1C ZINC000797441314 1031112648 /nfs/dbraw/zinc/11/26/48/1031112648.db2.gz AUTFHLUUSTXPDA-UHFFFAOYSA-N 1 2 359.382 2.619 20 5 FFBDLO Cc1ccccc1[C@H](O)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001149925421 1031619700 /nfs/dbraw/zinc/61/97/00/1031619700.db2.gz KHSAKTIYOUKZIM-GOSISDBHSA-N 1 2 366.377 2.552 20 5 FFBDLO O=C(Oc1ccc2oc(=O)oc2c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000799418363 1031767581 /nfs/dbraw/zinc/76/75/81/1031767581.db2.gz IFKNMSNKZHMGPF-UHFFFAOYSA-N 1 2 367.273 2.699 20 5 FFBDLO CCOC(=O)C[C@H](OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000835258502 1035647634 /nfs/dbraw/zinc/64/76/34/1035647634.db2.gz GNXKWVJHAVWPRJ-INIZCTEOSA-N 1 2 373.365 2.669 20 5 FFBDLO CC(C)(C)c1noc(COC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC000835357244 1035712794 /nfs/dbraw/zinc/71/27/94/1035712794.db2.gz RKYRMBBYBAZITD-UHFFFAOYSA-N 1 2 371.353 2.818 20 5 FFBDLO O=[N+]([O-])c1c(Cl)ccnc1OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001228014126 1035877930 /nfs/dbraw/zinc/87/79/30/1035877930.db2.gz DOTADXLJMLNPJR-AWEZNQCLSA-N 1 2 363.801 2.923 20 5 FFBDLO O=[N+]([O-])c1c(Cl)ccnc1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001228014126 1035877948 /nfs/dbraw/zinc/87/79/48/1035877948.db2.gz DOTADXLJMLNPJR-AWEZNQCLSA-N 1 2 363.801 2.923 20 5 FFBDLO CC[NH+]1CCC(Oc2c(O)ccc3c(=O)c4c(O)cc(O)cc4oc32)CC1 ZINC001234752213 1037169998 /nfs/dbraw/zinc/16/99/98/1037169998.db2.gz FUWUPZHFRLXORQ-UHFFFAOYSA-N 1 2 371.389 2.926 20 5 FFBDLO COC(=O)[C@](C)(Cc1ccc(O)cc1)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254537667 1040787827 /nfs/dbraw/zinc/78/78/27/1040787827.db2.gz FWRLSLOYQUNYGD-VLIAUNLRSA-N 1 2 372.421 2.995 20 5 FFBDLO CC(C)OCc1nnc2n1CC[N@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254562436 1040800037 /nfs/dbraw/zinc/80/00/37/1040800037.db2.gz QQRFEGBKSSDLLT-AWEZNQCLSA-N 1 2 359.430 2.558 20 5 FFBDLO CC(C)OCc1nnc2n1CC[N@@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254562436 1040800066 /nfs/dbraw/zinc/80/00/66/1040800066.db2.gz QQRFEGBKSSDLLT-AWEZNQCLSA-N 1 2 359.430 2.558 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@@H](S(=O)(=O)c3ccccc3)C1)C2 ZINC001254602315 1040832041 /nfs/dbraw/zinc/83/20/41/1040832041.db2.gz DBDXBIZVZCQSRU-PKOBYXMFSA-N 1 2 372.446 2.610 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CC[C@@H](S(=O)(=O)c3ccccc3)C1)C2 ZINC001254602315 1040832050 /nfs/dbraw/zinc/83/20/50/1040832050.db2.gz DBDXBIZVZCQSRU-PKOBYXMFSA-N 1 2 372.446 2.610 20 5 FFBDLO COC(=O)[C@H]1Cc2ccccc2C[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254604593 1040834143 /nfs/dbraw/zinc/83/41/43/1040834143.db2.gz WQBFSPBGUMAEHG-RBUKOAKNSA-N 1 2 352.390 2.662 20 5 FFBDLO COC(=O)[C@H]1Cc2ccccc2C[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254604593 1040834155 /nfs/dbraw/zinc/83/41/55/1040834155.db2.gz WQBFSPBGUMAEHG-RBUKOAKNSA-N 1 2 352.390 2.662 20 5 FFBDLO CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC001318046642 1045199711 /nfs/dbraw/zinc/19/97/11/1045199711.db2.gz DWNVYFBLBUNJPL-UHFFFAOYSA-N 1 2 351.366 2.752 20 5 FFBDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001329793420 1048913548 /nfs/dbraw/zinc/91/35/48/1048913548.db2.gz UYPVXVUISXRQBD-LJQANCHMSA-N 1 2 367.405 2.720 20 5 FFBDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001329793420 1048913559 /nfs/dbraw/zinc/91/35/59/1048913559.db2.gz UYPVXVUISXRQBD-LJQANCHMSA-N 1 2 367.405 2.720 20 5 FFBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001333746101 1049098233 /nfs/dbraw/zinc/09/82/33/1049098233.db2.gz BUEBZYQXZBOAAY-BMGDILEWSA-N 1 2 368.437 2.913 20 5 FFBDLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC001302596226 1051146252 /nfs/dbraw/zinc/14/62/52/1051146252.db2.gz AZAIQMRPIXTERB-HNNXBMFYSA-N 1 2 369.406 2.516 20 5 FFBDLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC001302596226 1051146262 /nfs/dbraw/zinc/14/62/62/1051146262.db2.gz AZAIQMRPIXTERB-HNNXBMFYSA-N 1 2 369.406 2.516 20 5 FFBDLO COc1ccc(C[C@H]2CC[N@@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC001307525423 1052317658 /nfs/dbraw/zinc/31/76/58/1052317658.db2.gz FDGPNVLRPVBSQR-OAHLLOKOSA-N 1 2 355.394 2.859 20 5 FFBDLO COc1ccc(C[C@H]2CC[N@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC001307525423 1052317665 /nfs/dbraw/zinc/31/76/65/1052317665.db2.gz FDGPNVLRPVBSQR-OAHLLOKOSA-N 1 2 355.394 2.859 20 5 FFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC001347242612 1053752590 /nfs/dbraw/zinc/75/25/90/1053752590.db2.gz GPSQORRBFLZHDZ-INIZCTEOSA-N 1 2 361.398 2.741 20 5 FFBDLO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC001337341187 1054672270 /nfs/dbraw/zinc/67/22/70/1054672270.db2.gz NSWBKZGAYAPEIJ-QGZVFWFLSA-N 1 2 358.373 2.562 20 5 FFBDLO COC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001348697747 1054868766 /nfs/dbraw/zinc/86/87/66/1054868766.db2.gz PUEFLCMAKGRFBL-UHFFFAOYSA-N 1 2 366.333 2.819 20 5 FFBDLO C[C@@H](C(=O)N1CCC(c2c[nH+]cn2C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC001337768785 1055004324 /nfs/dbraw/zinc/00/43/24/1055004324.db2.gz ZEODHJJRRWKTHR-GFCCVEGCSA-N 1 2 360.389 2.977 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2C[C@@]2(F)c2ccccc2)cc1 ZINC001353309631 1056283880 /nfs/dbraw/zinc/28/38/80/1056283880.db2.gz HCLOLOARYNYWTK-IAGOWNOFSA-N 1 2 364.398 2.595 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001518965090 1058568887 /nfs/dbraw/zinc/56/88/87/1058568887.db2.gz ZXZGXPZDWCKRQT-AEFFLSMTSA-N 1 2 370.409 2.954 20 5 FFBDLO Cc1cnc2c(c1)N(C(=O)c1ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c1)CCO2 ZINC001521098624 1060382490 /nfs/dbraw/zinc/38/24/90/1060382490.db2.gz MQLWIBKUFYNAAQ-UHFFFAOYSA-N 1 2 365.349 2.523 20 5 FFBDLO C[C@](CO)([NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)c1ccccc1 ZINC001459957969 1060857545 /nfs/dbraw/zinc/85/75/45/1060857545.db2.gz AJFVEWMQZZGWPM-GOSISDBHSA-N 1 2 354.366 2.642 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@@H](c2cccnc2)C1 ZINC001526520192 1061154790 /nfs/dbraw/zinc/15/47/90/1061154790.db2.gz YLJBBMFKLRLCBJ-MRXNPFEDSA-N 1 2 363.377 2.805 20 5 FFBDLO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCc1ccc(-n2cc[nH+]c2)cc1 ZINC001527225445 1061438105 /nfs/dbraw/zinc/43/81/05/1061438105.db2.gz OVQAKRPHVZDKBW-UHFFFAOYSA-N 1 2 354.341 2.779 20 5 FFBDLO O=C(Nc1cccc2c1OCCO2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001527993993 1061706910 /nfs/dbraw/zinc/70/69/10/1061706910.db2.gz OYWYYRMYSBXURA-UHFFFAOYSA-N 1 2 366.333 2.804 20 5 FFBDLO CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)[N@@H+]1CCc2ccccc2C1 ZINC001464095908 1062422990 /nfs/dbraw/zinc/42/29/90/1062422990.db2.gz AWBATRNASXKEIE-MRXNPFEDSA-N 1 2 369.421 2.867 20 5 FFBDLO CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)[N@H+]1CCc2ccccc2C1 ZINC001464095908 1062423006 /nfs/dbraw/zinc/42/30/06/1062423006.db2.gz AWBATRNASXKEIE-MRXNPFEDSA-N 1 2 369.421 2.867 20 5 FFBDLO Cc1[nH]c(-c2cccc(NC(=O)c3cnc(N)c([N+](=O)[O-])c3)c2)[nH+]c1C ZINC001464458035 1062624440 /nfs/dbraw/zinc/62/44/40/1062624440.db2.gz OAUCHUAKOUSKMC-UHFFFAOYSA-N 1 2 352.354 2.831 20 5 FFBDLO Cc1cc(NC(=O)C[C@H](C)n2cc[nH+]c2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001525602181 1063362186 /nfs/dbraw/zinc/36/21/86/1063362186.db2.gz NDJDNAUYTWFZSP-ZDUSSCGKSA-N 1 2 354.370 2.875 20 5 FFBDLO CCCc1[nH]nc(C(=O)N2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)c1[N+](=O)[O-] ZINC001471912537 1064850160 /nfs/dbraw/zinc/85/01/60/1064850160.db2.gz YUSHCWFXGZBWPG-UHFFFAOYSA-N 1 2 360.418 2.630 20 5 FFBDLO CCCc1n[nH]c(C(=O)N2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)c1[N+](=O)[O-] ZINC001471912537 1064850164 /nfs/dbraw/zinc/85/01/64/1064850164.db2.gz YUSHCWFXGZBWPG-UHFFFAOYSA-N 1 2 360.418 2.630 20 5 FFBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCc2cc(F)c(F)cc2C1 ZINC001473754780 1065347008 /nfs/dbraw/zinc/34/70/08/1065347008.db2.gz KFSMLUAIBCQXGM-AWEZNQCLSA-N 1 2 364.348 2.671 20 5 FFBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCc2cc(F)c(F)cc2C1 ZINC001473754780 1065347017 /nfs/dbraw/zinc/34/70/17/1065347017.db2.gz KFSMLUAIBCQXGM-AWEZNQCLSA-N 1 2 364.348 2.671 20 5 FFBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001556324715 1075730531 /nfs/dbraw/zinc/73/05/31/1075730531.db2.gz FUYBUMYTCQBFJP-UHFFFAOYSA-N 1 2 366.377 2.801 20 5 FFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001557725415 1075879545 /nfs/dbraw/zinc/87/95/45/1075879545.db2.gz IBQWNEOHUDPABX-QGZVFWFLSA-N 1 2 359.813 2.964 20 5 FFBDLO Cc1c(CC(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC001558211412 1075961417 /nfs/dbraw/zinc/96/14/17/1075961417.db2.gz DKPMMPRBCCEQNA-QGZVFWFLSA-N 1 2 357.385 2.758 20 5 FFBDLO Cc1noc(C[N@@H+]2CC[C@H]3CC[C@]32CNC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC001560207331 1076247019 /nfs/dbraw/zinc/24/70/19/1076247019.db2.gz LNLNEKLXSGAEAG-PXAZEXFGSA-N 1 2 366.418 2.770 20 5 FFBDLO Cc1noc(C[N@H+]2CC[C@H]3CC[C@]32CNC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC001560207331 1076247021 /nfs/dbraw/zinc/24/70/21/1076247021.db2.gz LNLNEKLXSGAEAG-PXAZEXFGSA-N 1 2 366.418 2.770 20 5 FFBDLO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CC(Oc2cc[nH+]cc2)C1 ZINC001565597728 1076743900 /nfs/dbraw/zinc/74/39/00/1076743900.db2.gz SUIDBHIPRUABMZ-UHFFFAOYSA-N 1 2 361.785 2.866 20 5 FFBDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1c(F)cncc1F ZINC000285695230 257000089 /nfs/dbraw/zinc/00/00/89/257000089.db2.gz OAGGLIYHZRVEIG-ZJUUUORDSA-N 1 2 350.325 2.946 20 5 FFBDLO Cc1[nH]nc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)c1[N+](=O)[O-] ZINC000116206655 209345123 /nfs/dbraw/zinc/34/51/23/209345123.db2.gz BLQMIWPWPUMONK-SECBINFHSA-N 1 2 364.431 2.567 20 5 FFBDLO Cc1[nH]nc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)c1[N+](=O)[O-] ZINC000116206655 209345126 /nfs/dbraw/zinc/34/51/26/209345126.db2.gz BLQMIWPWPUMONK-SECBINFHSA-N 1 2 364.431 2.567 20 5 FFBDLO CSc1cccc(C(=O)NCCc2cn3c([nH+]2)CCCC3)c1[N+](=O)[O-] ZINC000368881226 512118226 /nfs/dbraw/zinc/11/82/26/512118226.db2.gz XRPBOEFQBDAEOZ-UHFFFAOYSA-N 1 2 360.439 2.822 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000151395544 251070118 /nfs/dbraw/zinc/07/01/18/251070118.db2.gz HWUYOLMRMIHWMI-CYBMUJFWSA-N 1 2 373.413 2.824 20 5 FFBDLO CC(C)(NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000153211822 251114162 /nfs/dbraw/zinc/11/41/62/251114162.db2.gz YCQMQYAZASFHBJ-HNNXBMFYSA-N 1 2 369.425 2.803 20 5 FFBDLO COc1cc(-c2nc([C@H]3C[N@@H+](C(C)C)CCO3)no2)cc([N+](=O)[O-])c1C ZINC000276621084 256115452 /nfs/dbraw/zinc/11/54/52/256115452.db2.gz KPHMBGSPHIIWTQ-OAHLLOKOSA-N 1 2 362.386 2.744 20 5 FFBDLO COc1cc(-c2nc([C@H]3C[N@H+](C(C)C)CCO3)no2)cc([N+](=O)[O-])c1C ZINC000276621084 256115453 /nfs/dbraw/zinc/11/54/53/256115453.db2.gz KPHMBGSPHIIWTQ-OAHLLOKOSA-N 1 2 362.386 2.744 20 5 FFBDLO O=C(c1ccccc1C[NH+]1CCOCC1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000276961869 256146718 /nfs/dbraw/zinc/14/67/18/256146718.db2.gz DBFUCERWKFBVHY-UHFFFAOYSA-N 1 2 367.405 2.630 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1c(Br)c(C)nn1C ZINC000279229656 256396022 /nfs/dbraw/zinc/39/60/22/256396022.db2.gz YJMSLIYPNCURAN-UHFFFAOYSA-N 1 2 369.219 2.698 20 5 FFBDLO COCC[N@H+](Cc1ccccn1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000287448276 257089854 /nfs/dbraw/zinc/08/98/54/257089854.db2.gz QMUSPEOAJBGPEY-UHFFFAOYSA-N 1 2 359.382 2.505 20 5 FFBDLO COCC[N@@H+](Cc1ccccn1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000287448276 257089855 /nfs/dbraw/zinc/08/98/55/257089855.db2.gz QMUSPEOAJBGPEY-UHFFFAOYSA-N 1 2 359.382 2.505 20 5 FFBDLO Cc1cc([N+](=O)[O-])cnc1NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000301196301 258033234 /nfs/dbraw/zinc/03/32/34/258033234.db2.gz ODVKSUSAHDKVQV-ZIAGYGMSSA-N 1 2 357.414 2.919 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000301426481 258048727 /nfs/dbraw/zinc/04/87/27/258048727.db2.gz CNVSZNGXNVVJNG-HZPDHXFCSA-N 1 2 374.485 2.530 20 5 FFBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)Cc1c[nH]c3ccc([N+](=O)[O-])cc13)CCC2 ZINC000371146697 512242329 /nfs/dbraw/zinc/24/23/29/512242329.db2.gz QVTHASOQLHWLBK-CYBMUJFWSA-N 1 2 367.409 2.817 20 5 FFBDLO CCOC(=O)N1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000054389437 506550104 /nfs/dbraw/zinc/55/01/04/506550104.db2.gz ZHQRVQULBOABAM-UHFFFAOYSA-N 1 2 371.397 2.639 20 5 FFBDLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)c(OC)c1 ZINC000007974480 506609211 /nfs/dbraw/zinc/60/92/11/506609211.db2.gz SYAHFRMEZVAQNA-UHFFFAOYSA-N 1 2 373.409 2.991 20 5 FFBDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)c(OC)c1 ZINC000007974480 506609220 /nfs/dbraw/zinc/60/92/20/506609220.db2.gz SYAHFRMEZVAQNA-UHFFFAOYSA-N 1 2 373.409 2.991 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000067025150 506728852 /nfs/dbraw/zinc/72/88/52/506728852.db2.gz SYMHNNUEPPXDCL-GOSISDBHSA-N 1 2 369.421 2.534 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000067025150 506728857 /nfs/dbraw/zinc/72/88/57/506728857.db2.gz SYMHNNUEPPXDCL-GOSISDBHSA-N 1 2 369.421 2.534 20 5 FFBDLO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000015369853 507036003 /nfs/dbraw/zinc/03/60/03/507036003.db2.gz NBWSLOGBFPFINT-UHFFFAOYSA-N 1 2 358.350 2.822 20 5 FFBDLO C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000015369853 507036005 /nfs/dbraw/zinc/03/60/05/507036005.db2.gz NBWSLOGBFPFINT-UHFFFAOYSA-N 1 2 358.350 2.822 20 5 FFBDLO COc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])s2)c2[nH+]ccn2C)cc1 ZINC000016473073 507091859 /nfs/dbraw/zinc/09/18/59/507091859.db2.gz MYLMETHEDSOZSC-HNNXBMFYSA-N 1 2 372.406 2.918 20 5 FFBDLO COCC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000016585127 507096343 /nfs/dbraw/zinc/09/63/43/507096343.db2.gz RTTXZKGHDZIZBE-UHFFFAOYSA-N 1 2 373.409 2.691 20 5 FFBDLO COCC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000016585127 507096347 /nfs/dbraw/zinc/09/63/47/507096347.db2.gz RTTXZKGHDZIZBE-UHFFFAOYSA-N 1 2 373.409 2.691 20 5 FFBDLO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000016564704 507096578 /nfs/dbraw/zinc/09/65/78/507096578.db2.gz QTQZVJLAKDUDBI-IXDOHACOSA-N 1 2 374.485 2.610 20 5 FFBDLO O=C(CSc1[nH+]cc2ccccn21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000016566200 507096877 /nfs/dbraw/zinc/09/68/77/507096877.db2.gz AMMWSDHNFXRDQN-UHFFFAOYSA-N 1 2 354.391 2.924 20 5 FFBDLO COc1ccc(C[N@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])c(OC)c1 ZINC000016591017 507098958 /nfs/dbraw/zinc/09/89/58/507098958.db2.gz MSDACDJAPGPZLJ-UHFFFAOYSA-N 1 2 373.409 2.991 20 5 FFBDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])c(OC)c1 ZINC000016591017 507098962 /nfs/dbraw/zinc/09/89/62/507098962.db2.gz MSDACDJAPGPZLJ-UHFFFAOYSA-N 1 2 373.409 2.991 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000057563607 507287891 /nfs/dbraw/zinc/28/78/91/507287891.db2.gz ZPYUJRXJYZLLCJ-QGZVFWFLSA-N 1 2 366.377 2.856 20 5 FFBDLO Cc1ccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)[NH+]2CCOCC2)cc1 ZINC000023973435 507381545 /nfs/dbraw/zinc/38/15/45/507381545.db2.gz XJKVCXJVKJRSFI-LJQANCHMSA-N 1 2 369.421 2.707 20 5 FFBDLO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047743380 507387628 /nfs/dbraw/zinc/38/76/28/507387628.db2.gz DAJYWMWFNNAGCQ-IAGOWNOFSA-N 1 2 374.485 2.896 20 5 FFBDLO CNC(=O)c1ccc(N(C)Cc2[nH+]cc(C)c(OC)c2C)c([N+](=O)[O-])c1 ZINC000058544828 507435273 /nfs/dbraw/zinc/43/52/73/507435273.db2.gz DDBFXEOGNVLXKS-UHFFFAOYSA-N 1 2 358.398 2.611 20 5 FFBDLO Cc1cc(N2CC[NH+](CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000059384315 507498536 /nfs/dbraw/zinc/49/85/36/507498536.db2.gz ZZPGXNRPMVJJGV-HZPDHXFCSA-N 1 2 374.485 2.530 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000026346110 507580909 /nfs/dbraw/zinc/58/09/09/507580909.db2.gz TYXGPVQUJJKFGZ-UHFFFAOYSA-N 1 2 359.382 2.683 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000026346110 507580914 /nfs/dbraw/zinc/58/09/14/507580914.db2.gz TYXGPVQUJJKFGZ-UHFFFAOYSA-N 1 2 359.382 2.683 20 5 FFBDLO O=C(NCc1nc2ccccc2[nH]1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000049936276 507642310 /nfs/dbraw/zinc/64/23/10/507642310.db2.gz XFXAILWVICCEIM-UHFFFAOYSA-N 1 2 362.349 2.587 20 5 FFBDLO C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)Oc1ccccc1 ZINC000070895616 507656030 /nfs/dbraw/zinc/65/60/30/507656030.db2.gz AUAWFNJQHMOHQV-AWEZNQCLSA-N 1 2 366.377 2.978 20 5 FFBDLO O=C(COc1ccccc1[N+](=O)[O-])NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000029027307 507755319 /nfs/dbraw/zinc/75/53/19/507755319.db2.gz DXISNGYQXHNCJS-UHFFFAOYSA-N 1 2 366.377 2.535 20 5 FFBDLO Cc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000029087543 507757577 /nfs/dbraw/zinc/75/75/77/507757577.db2.gz ZBZVBMMBSFGOQJ-IBGZPJMESA-N 1 2 369.421 2.707 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000029081216 507757889 /nfs/dbraw/zinc/75/78/89/507757889.db2.gz KZYFZKXXYDUHRL-MRXNPFEDSA-N 1 2 369.356 2.569 20 5 FFBDLO O=C(NCCCn1cc[nH+]c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000051340583 507762485 /nfs/dbraw/zinc/76/24/85/507762485.db2.gz FWQPKNFTDKNWDE-UHFFFAOYSA-N 1 2 357.395 2.735 20 5 FFBDLO Cc1ccc2nc(C[NH+]3CCN(c4cccc([N+](=O)[O-])c4)CC3)cn2c1 ZINC000051855709 507788137 /nfs/dbraw/zinc/78/81/37/507788137.db2.gz ZAMRPYHZRTURPE-UHFFFAOYSA-N 1 2 351.410 2.873 20 5 FFBDLO Cc1ccc2[nH+]c(CN3CCN(c4cccc([N+](=O)[O-])c4)CC3)cn2c1 ZINC000051855709 507788139 /nfs/dbraw/zinc/78/81/39/507788139.db2.gz ZAMRPYHZRTURPE-UHFFFAOYSA-N 1 2 351.410 2.873 20 5 FFBDLO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000029845634 507793055 /nfs/dbraw/zinc/79/30/55/507793055.db2.gz SNUXJAHWYOZQFT-GFCCVEGCSA-N 1 2 372.454 2.821 20 5 FFBDLO Cc1c(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000030539068 507810239 /nfs/dbraw/zinc/81/02/39/507810239.db2.gz STLDMHWWBIVMRC-GOSISDBHSA-N 1 2 369.421 2.707 20 5 FFBDLO Cc1c[nH+]ccc1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000107293257 507842303 /nfs/dbraw/zinc/84/23/03/507842303.db2.gz HVIFYZLOTABASY-UHFFFAOYSA-N 1 2 356.338 2.625 20 5 FFBDLO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000090451567 507920255 /nfs/dbraw/zinc/92/02/55/507920255.db2.gz IYBKPWLDWMCBEM-VXGBXAGGSA-N 1 2 351.403 2.632 20 5 FFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000090553017 507927424 /nfs/dbraw/zinc/92/74/24/507927424.db2.gz XQRJRMIFIDFABV-HXUWFJFHSA-N 1 2 364.405 2.663 20 5 FFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000090553017 507927425 /nfs/dbraw/zinc/92/74/25/507927425.db2.gz XQRJRMIFIDFABV-HXUWFJFHSA-N 1 2 364.405 2.663 20 5 FFBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000079322912 507953609 /nfs/dbraw/zinc/95/36/09/507953609.db2.gz PFUQXAWDSZEMRI-UHFFFAOYSA-N 1 2 367.409 2.506 20 5 FFBDLO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)C1 ZINC000091949070 508026763 /nfs/dbraw/zinc/02/67/63/508026763.db2.gz GRCKTUMBZVTZKK-CQSZACIVSA-N 1 2 361.442 2.771 20 5 FFBDLO C[S@](=O)c1ccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000092048185 508038000 /nfs/dbraw/zinc/03/80/00/508038000.db2.gz UWCHPHMGRUEYOK-RUZDIDTESA-N 1 2 359.451 2.654 20 5 FFBDLO O=C(N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1ccc([N+](=O)[O-])o1 ZINC000110979360 508062743 /nfs/dbraw/zinc/06/27/43/508062743.db2.gz WCTHXRZIDCNYGM-NSHDSACASA-N 1 2 365.336 2.860 20 5 FFBDLO O=C(N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1ccc([N+](=O)[O-])o1 ZINC000110979360 508062745 /nfs/dbraw/zinc/06/27/45/508062745.db2.gz WCTHXRZIDCNYGM-NSHDSACASA-N 1 2 365.336 2.860 20 5 FFBDLO CC[NH+]1CCN(c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cc2)CC1 ZINC000092545921 508080773 /nfs/dbraw/zinc/08/07/73/508080773.db2.gz RYEYYEQAIBJGPK-UHFFFAOYSA-N 1 2 370.409 2.695 20 5 FFBDLO COc1cc(C[N@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])ccc1O ZINC000080847750 508107714 /nfs/dbraw/zinc/10/77/14/508107714.db2.gz DOMNBXZHQQSTLD-UHFFFAOYSA-N 1 2 359.382 2.688 20 5 FFBDLO COc1cc(C[N@@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])ccc1O ZINC000080847750 508107716 /nfs/dbraw/zinc/10/77/16/508107716.db2.gz DOMNBXZHQQSTLD-UHFFFAOYSA-N 1 2 359.382 2.688 20 5 FFBDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000093082314 508119907 /nfs/dbraw/zinc/11/99/07/508119907.db2.gz MOERCWCYNUUGMV-OAHLLOKOSA-N 1 2 362.407 2.697 20 5 FFBDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000093082314 508119910 /nfs/dbraw/zinc/11/99/10/508119910.db2.gz MOERCWCYNUUGMV-OAHLLOKOSA-N 1 2 362.407 2.697 20 5 FFBDLO Cc1cc(N2CCC(c3nnc[nH]3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000081037003 508128654 /nfs/dbraw/zinc/12/86/54/508128654.db2.gz CXKNIQSIMSTNEJ-UHFFFAOYSA-N 1 2 365.397 2.862 20 5 FFBDLO C[N@H+](CCN1CCCC1=O)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000093320177 508139045 /nfs/dbraw/zinc/13/90/45/508139045.db2.gz MSNVLPBGLIWQIB-UHFFFAOYSA-N 1 2 360.439 2.773 20 5 FFBDLO C[N@@H+](CCN1CCCC1=O)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000093320177 508139047 /nfs/dbraw/zinc/13/90/47/508139047.db2.gz MSNVLPBGLIWQIB-UHFFFAOYSA-N 1 2 360.439 2.773 20 5 FFBDLO CCc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)cc1[N+](=O)[O-] ZINC000081830259 508215491 /nfs/dbraw/zinc/21/54/91/508215491.db2.gz WIPIWVLKWOIGIT-UHFFFAOYSA-N 1 2 351.366 2.668 20 5 FFBDLO Cc1cccc(C[NH+](CCn2cc([N+](=O)[O-])cn2)Cc2cccc(C)n2)n1 ZINC000085904877 508319832 /nfs/dbraw/zinc/31/98/32/508319832.db2.gz DYOMDMCGBUWGIU-UHFFFAOYSA-N 1 2 366.425 2.901 20 5 FFBDLO O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccccc1C[NH+]1CCOCC1 ZINC000087157361 508340026 /nfs/dbraw/zinc/34/00/26/508340026.db2.gz UEVLNPURDLNNDF-UHFFFAOYSA-N 1 2 369.421 2.998 20 5 FFBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000087364524 508349046 /nfs/dbraw/zinc/34/90/46/508349046.db2.gz YTHXCIVGQDMALH-MRXNPFEDSA-N 1 2 368.437 2.828 20 5 FFBDLO COC(=O)c1sccc1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000088495506 508373487 /nfs/dbraw/zinc/37/34/87/508373487.db2.gz OSKBAKHYGNOUNZ-UHFFFAOYSA-N 1 2 361.423 2.765 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1C ZINC000088777612 508383737 /nfs/dbraw/zinc/38/37/37/508383737.db2.gz LCXCPDRZYZNBPY-ZDUSSCGKSA-N 1 2 364.427 2.503 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000152664682 508488973 /nfs/dbraw/zinc/48/89/73/508488973.db2.gz BHKVSIHRAONIHF-UHFFFAOYSA-N 1 2 360.801 2.601 20 5 FFBDLO Cc1ccc(CNC(=O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1F ZINC000153207523 508558803 /nfs/dbraw/zinc/55/88/03/508558803.db2.gz RAOPQSMEEFFDBS-UHFFFAOYSA-N 1 2 357.385 2.717 20 5 FFBDLO Cc1ccc(CNC(=O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1F ZINC000153207523 508558806 /nfs/dbraw/zinc/55/88/06/508558806.db2.gz RAOPQSMEEFFDBS-UHFFFAOYSA-N 1 2 357.385 2.717 20 5 FFBDLO CCOc1cccc(CNC(=O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153324429 508572315 /nfs/dbraw/zinc/57/23/15/508572315.db2.gz WHZHWBLWJSNJOH-UHFFFAOYSA-N 1 2 369.421 2.668 20 5 FFBDLO CCOc1cccc(CNC(=O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153324429 508572318 /nfs/dbraw/zinc/57/23/18/508572318.db2.gz WHZHWBLWJSNJOH-UHFFFAOYSA-N 1 2 369.421 2.668 20 5 FFBDLO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000157565403 508582059 /nfs/dbraw/zinc/58/20/59/508582059.db2.gz FSVKPGCLXJHCEZ-AWEZNQCLSA-N 1 2 366.464 2.942 20 5 FFBDLO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000157565403 508582061 /nfs/dbraw/zinc/58/20/61/508582061.db2.gz FSVKPGCLXJHCEZ-AWEZNQCLSA-N 1 2 366.464 2.942 20 5 FFBDLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000135567824 508624585 /nfs/dbraw/zinc/62/45/85/508624585.db2.gz GYJHZGGXWHXGIC-HNNXBMFYSA-N 1 2 368.397 2.888 20 5 FFBDLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000135567824 508624588 /nfs/dbraw/zinc/62/45/88/508624588.db2.gz GYJHZGGXWHXGIC-HNNXBMFYSA-N 1 2 368.397 2.888 20 5 FFBDLO C[C@@H]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000123162042 508645578 /nfs/dbraw/zinc/64/55/78/508645578.db2.gz RYIJYYZOLDCKAB-CZUORRHYSA-N 1 2 360.439 2.993 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(C)(C)c1nc(C)cs1 ZINC000118849164 508683940 /nfs/dbraw/zinc/68/39/40/508683940.db2.gz XLQXTXQKCNLTFO-UHFFFAOYSA-N 1 2 364.427 2.832 20 5 FFBDLO CCOc1ccccc1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000119842832 508874653 /nfs/dbraw/zinc/87/46/53/508874653.db2.gz LVXTVKGVVLILQX-UHFFFAOYSA-N 1 2 369.421 2.952 20 5 FFBDLO COc1cc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)ccc1[N+](=O)[O-] ZINC000159949675 508915838 /nfs/dbraw/zinc/91/58/38/508915838.db2.gz ZPDANQHYVSVVFK-UHFFFAOYSA-N 1 2 366.377 2.778 20 5 FFBDLO Cc1ccccc1CC(=O)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000155122663 508928164 /nfs/dbraw/zinc/92/81/64/508928164.db2.gz CKZIILGHUNBHCQ-UHFFFAOYSA-N 1 2 353.422 2.790 20 5 FFBDLO C[N@H+](CCS(C)(=O)=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000155137266 508932239 /nfs/dbraw/zinc/93/22/39/508932239.db2.gz DXQYVDWILWBLNM-UHFFFAOYSA-N 1 2 372.830 2.985 20 5 FFBDLO C[N@@H+](CCS(C)(=O)=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000155137266 508932243 /nfs/dbraw/zinc/93/22/43/508932243.db2.gz DXQYVDWILWBLNM-UHFFFAOYSA-N 1 2 372.830 2.985 20 5 FFBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000120158963 508940739 /nfs/dbraw/zinc/94/07/39/508940739.db2.gz PHWQXHMXMURKPD-OAHLLOKOSA-N 1 2 371.441 2.612 20 5 FFBDLO CC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000151437513 509016170 /nfs/dbraw/zinc/01/61/70/509016170.db2.gz NOKJTYCEEWTBRV-DOTOQJQBSA-N 1 2 373.409 2.597 20 5 FFBDLO CC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000151437513 509016173 /nfs/dbraw/zinc/01/61/73/509016173.db2.gz NOKJTYCEEWTBRV-DOTOQJQBSA-N 1 2 373.409 2.597 20 5 FFBDLO CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000151437583 509017192 /nfs/dbraw/zinc/01/71/92/509017192.db2.gz NOKJTYCEEWTBRV-NVXWUHKLSA-N 1 2 373.409 2.597 20 5 FFBDLO CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000151437583 509017195 /nfs/dbraw/zinc/01/71/95/509017195.db2.gz NOKJTYCEEWTBRV-NVXWUHKLSA-N 1 2 373.409 2.597 20 5 FFBDLO Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)cc1[N+](=O)[O-] ZINC000155563067 509027602 /nfs/dbraw/zinc/02/76/02/509027602.db2.gz JDOWBAMDIXNLIP-UHFFFAOYSA-N 1 2 356.382 2.696 20 5 FFBDLO Cc1c(CC(=O)NC2CCN(c3cccc[nH+]3)CC2)cccc1[N+](=O)[O-] ZINC000161692619 509144627 /nfs/dbraw/zinc/14/46/27/509144627.db2.gz MSUJGVADQSJVSO-UHFFFAOYSA-N 1 2 354.410 2.626 20 5 FFBDLO C[N@H+](CC(=O)[O-])[C@H]1CCC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000191999207 509285157 /nfs/dbraw/zinc/28/51/57/509285157.db2.gz FZQWVAWXUKDAEH-ZDUSSCGKSA-N 1 2 355.822 2.619 20 5 FFBDLO C[N@@H+](CC(=O)[O-])[C@H]1CCC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000191999207 509285161 /nfs/dbraw/zinc/28/51/61/509285161.db2.gz FZQWVAWXUKDAEH-ZDUSSCGKSA-N 1 2 355.822 2.619 20 5 FFBDLO C[NH+](CC(=O)[O-])[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000191999207 509285163 /nfs/dbraw/zinc/28/51/63/509285163.db2.gz FZQWVAWXUKDAEH-ZDUSSCGKSA-N 1 2 355.822 2.619 20 5 FFBDLO C[NH+](CC(=O)[O-])[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000191999207 509285166 /nfs/dbraw/zinc/28/51/66/509285166.db2.gz FZQWVAWXUKDAEH-ZDUSSCGKSA-N 1 2 355.822 2.619 20 5 FFBDLO Cc1cc(C)c(S(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000192026034 509304392 /nfs/dbraw/zinc/30/43/92/509304392.db2.gz WXCALCZJHDKXSP-CYBMUJFWSA-N 1 2 364.427 2.851 20 5 FFBDLO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1O ZINC000179384162 509414534 /nfs/dbraw/zinc/41/45/34/509414534.db2.gz KQNOGGZOAWHVMR-UHFFFAOYSA-N 1 2 355.394 2.695 20 5 FFBDLO Cc1cc(N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c(Br)cc1[N+](=O)[O-] ZINC000248671973 509429484 /nfs/dbraw/zinc/42/94/84/509429484.db2.gz UOGUTAXXDHBFCB-VXGBXAGGSA-N 1 2 372.263 2.557 20 5 FFBDLO Cc1cc(N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c(Br)cc1[N+](=O)[O-] ZINC000248671973 509429491 /nfs/dbraw/zinc/42/94/91/509429491.db2.gz UOGUTAXXDHBFCB-VXGBXAGGSA-N 1 2 372.263 2.557 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2Cc3ccccc3C3(CC3)C2)cc1 ZINC000186183946 509565621 /nfs/dbraw/zinc/56/56/21/509565621.db2.gz ZFWQMWNGEBGYHO-UHFFFAOYSA-N 1 2 372.446 2.916 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2Cc3ccccc3C3(CC3)C2)cc1 ZINC000186183946 509565626 /nfs/dbraw/zinc/56/56/26/509565626.db2.gz ZFWQMWNGEBGYHO-UHFFFAOYSA-N 1 2 372.446 2.916 20 5 FFBDLO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000176803396 509700580 /nfs/dbraw/zinc/70/05/80/509700580.db2.gz HOOFNELFKHNUNO-UHFFFAOYSA-N 1 2 352.354 2.748 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000193044250 509751246 /nfs/dbraw/zinc/75/12/46/509751246.db2.gz OOVMMIQDHKCIHB-GOSISDBHSA-N 1 2 369.421 2.707 20 5 FFBDLO O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C\c1cccc2[nH+]ccn21 ZINC000180310201 509862570 /nfs/dbraw/zinc/86/25/70/509862570.db2.gz ODGYUDJPCZVSGM-ZRDIBKRKSA-N 1 2 359.345 2.897 20 5 FFBDLO COc1ccc(CNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000268355824 509886591 /nfs/dbraw/zinc/88/65/91/509886591.db2.gz RVYDNYMYMTWHEM-CJNGLKHVSA-N 1 2 373.413 2.593 20 5 FFBDLO CCOC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245439283 509933667 /nfs/dbraw/zinc/93/36/67/509933667.db2.gz FSZTTXIBRHSXKR-QAPCUYQASA-N 1 2 370.409 2.780 20 5 FFBDLO CCOC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245439283 509933671 /nfs/dbraw/zinc/93/36/71/509933671.db2.gz FSZTTXIBRHSXKR-QAPCUYQASA-N 1 2 370.409 2.780 20 5 FFBDLO CCc1ccc([C@@H]2C[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CCO2)cc1 ZINC000190315622 510058904 /nfs/dbraw/zinc/05/89/04/510058904.db2.gz KSZHCBXNTDDBTC-IBGZPJMESA-N 1 2 369.421 2.830 20 5 FFBDLO CCc1ccc([C@@H]2C[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CCO2)cc1 ZINC000190315622 510058908 /nfs/dbraw/zinc/05/89/08/510058908.db2.gz KSZHCBXNTDDBTC-IBGZPJMESA-N 1 2 369.421 2.830 20 5 FFBDLO O=C(C[N@H+](Cc1ccccn1)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000180859635 510148315 /nfs/dbraw/zinc/14/83/15/510148315.db2.gz DKYBFJBQZLKGEJ-UHFFFAOYSA-N 1 2 352.394 2.544 20 5 FFBDLO O=C(C[N@@H+](Cc1ccccn1)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000180859635 510148321 /nfs/dbraw/zinc/14/83/21/510148321.db2.gz DKYBFJBQZLKGEJ-UHFFFAOYSA-N 1 2 352.394 2.544 20 5 FFBDLO COc1cc(C[N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1O ZINC000174538610 510165726 /nfs/dbraw/zinc/16/57/26/510165726.db2.gz DNAVOJZQMQEHLD-UHFFFAOYSA-N 1 2 370.365 2.991 20 5 FFBDLO COc1cc(C[N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1O ZINC000174538610 510165732 /nfs/dbraw/zinc/16/57/32/510165732.db2.gz DNAVOJZQMQEHLD-UHFFFAOYSA-N 1 2 370.365 2.991 20 5 FFBDLO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccc(Cl)nc1 ZINC000177624535 510167335 /nfs/dbraw/zinc/16/73/35/510167335.db2.gz JXJXXOLAMYJIRZ-UHFFFAOYSA-N 1 2 360.801 2.664 20 5 FFBDLO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccc(Cl)nc1 ZINC000177624535 510167345 /nfs/dbraw/zinc/16/73/45/510167345.db2.gz JXJXXOLAMYJIRZ-UHFFFAOYSA-N 1 2 360.801 2.664 20 5 FFBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCc3[nH]c4ccccc4c3C2)c1 ZINC000171615631 510254465 /nfs/dbraw/zinc/25/44/65/510254465.db2.gz VZRYLHORMYMYSD-HNNXBMFYSA-N 1 2 367.405 2.874 20 5 FFBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCc3[nH]c4ccccc4c3C2)c1 ZINC000171615631 510254469 /nfs/dbraw/zinc/25/44/69/510254469.db2.gz VZRYLHORMYMYSD-HNNXBMFYSA-N 1 2 367.405 2.874 20 5 FFBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCc3cccc(Br)c3C2)c1 ZINC000174868082 510354626 /nfs/dbraw/zinc/35/46/26/510354626.db2.gz HEYRXINJYNZOJF-UHFFFAOYSA-N 1 2 351.204 2.612 20 5 FFBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCc3cccc(Br)c3C2)c1 ZINC000174868082 510354633 /nfs/dbraw/zinc/35/46/33/510354633.db2.gz HEYRXINJYNZOJF-UHFFFAOYSA-N 1 2 351.204 2.612 20 5 FFBDLO Cc1cccc2[nH+]c(CNC(=O)N(C)Cc3ccccc3[N+](=O)[O-])cn21 ZINC000171765798 510355794 /nfs/dbraw/zinc/35/57/94/510355794.db2.gz HDPACHDZRSHYFW-UHFFFAOYSA-N 1 2 353.382 2.893 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+](C)[C@@H](CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000269559824 510461435 /nfs/dbraw/zinc/46/14/35/510461435.db2.gz KKKMZGRPCZYGHB-SFHVURJKSA-N 1 2 373.409 2.597 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+](C)[C@@H](CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000269559824 510461439 /nfs/dbraw/zinc/46/14/39/510461439.db2.gz KKKMZGRPCZYGHB-SFHVURJKSA-N 1 2 373.409 2.597 20 5 FFBDLO CCc1cc(NC[C@@](C)(O)CCOC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000171945448 510465744 /nfs/dbraw/zinc/46/57/44/510465744.db2.gz YORMVMFJLYZGEY-SFHVURJKSA-N 1 2 360.414 2.814 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCS[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000246458623 510499892 /nfs/dbraw/zinc/49/98/92/510499892.db2.gz WCMCBGPFZVDSFK-NEPJUHHUSA-N 1 2 353.444 2.758 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+]2CCS[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000246458623 510499902 /nfs/dbraw/zinc/49/99/02/510499902.db2.gz WCMCBGPFZVDSFK-NEPJUHHUSA-N 1 2 353.444 2.758 20 5 FFBDLO CC(C)(C)Oc1cc[nH+]cc1NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000269773354 510541339 /nfs/dbraw/zinc/54/13/39/510541339.db2.gz ADMDFXYGWBZNLP-UHFFFAOYSA-N 1 2 373.365 2.997 20 5 FFBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000185002453 510627258 /nfs/dbraw/zinc/62/72/58/510627258.db2.gz JBLQTZAMFSRMLW-QGZVFWFLSA-N 1 2 368.437 2.907 20 5 FFBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3nnc4n3CCCC4)CC2)cc1 ZINC000266638851 510702306 /nfs/dbraw/zinc/70/23/06/510702306.db2.gz SUNAZJYYUMRQAB-UHFFFAOYSA-N 1 2 357.414 2.566 20 5 FFBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000270353400 510774027 /nfs/dbraw/zinc/77/40/27/510774027.db2.gz PHFBDSQEZQGXBN-UHFFFAOYSA-N 1 2 353.382 2.748 20 5 FFBDLO CCC[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCCO1 ZINC000182157248 510787021 /nfs/dbraw/zinc/78/70/21/510787021.db2.gz PYBWRZNOCGDHJV-INIZCTEOSA-N 1 2 370.471 2.650 20 5 FFBDLO CCC[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCCO1 ZINC000182157248 510787026 /nfs/dbraw/zinc/78/70/26/510787026.db2.gz PYBWRZNOCGDHJV-INIZCTEOSA-N 1 2 370.471 2.650 20 5 FFBDLO CCOC1(C)CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000294242977 511001984 /nfs/dbraw/zinc/00/19/84/511001984.db2.gz ZZGLBCPUSFKFAA-UHFFFAOYSA-N 1 2 358.398 2.812 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H]1[C@@H]1CCCC1=O ZINC000270890650 511016693 /nfs/dbraw/zinc/01/66/93/511016693.db2.gz DLHOHPQNPDUXEM-LSDHHAIUSA-N 1 2 368.393 2.754 20 5 FFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@](C)(O)CC1 ZINC000279867237 511245489 /nfs/dbraw/zinc/24/54/89/511245489.db2.gz BWJMCQVIQMYNGY-ZBEGNZNMSA-N 1 2 355.822 2.812 20 5 FFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@](C)(O)CC1 ZINC000279867237 511245494 /nfs/dbraw/zinc/24/54/94/511245494.db2.gz BWJMCQVIQMYNGY-ZBEGNZNMSA-N 1 2 355.822 2.812 20 5 FFBDLO C[C@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1[N+](=O)[O-] ZINC000271690636 511288841 /nfs/dbraw/zinc/28/88/41/511288841.db2.gz ISCCKZIVGDPSSW-HNAYVOBHSA-N 1 2 369.421 2.673 20 5 FFBDLO C[C@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1[N+](=O)[O-] ZINC000271690636 511288843 /nfs/dbraw/zinc/28/88/43/511288843.db2.gz ISCCKZIVGDPSSW-HNAYVOBHSA-N 1 2 369.421 2.673 20 5 FFBDLO CC(C)(C)[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000272088163 511427499 /nfs/dbraw/zinc/42/74/99/511427499.db2.gz KREDGEXOEFFIDB-PBHICJAKSA-N 1 2 372.425 2.650 20 5 FFBDLO Cc1ccc[nH+]c1CCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000295677493 511479796 /nfs/dbraw/zinc/47/97/96/511479796.db2.gz GRRHQHNKAOHRDA-UHFFFAOYSA-N 1 2 371.365 2.949 20 5 FFBDLO CO[C@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000295933820 511560381 /nfs/dbraw/zinc/56/03/81/511560381.db2.gz IKVGOSNPEGEMTO-AWEZNQCLSA-N 1 2 355.822 2.934 20 5 FFBDLO CO[C@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000295933820 511560385 /nfs/dbraw/zinc/56/03/85/511560385.db2.gz IKVGOSNPEGEMTO-AWEZNQCLSA-N 1 2 355.822 2.934 20 5 FFBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000284102666 511606344 /nfs/dbraw/zinc/60/63/44/511606344.db2.gz SIIQRZMHUAADKG-SECBINFHSA-N 1 2 367.203 2.681 20 5 FFBDLO CCn1cc[nH+]c1[C@H]1CCCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000281020231 511691496 /nfs/dbraw/zinc/69/14/96/511691496.db2.gz OIDRLJZGBIOGJI-MRXNPFEDSA-N 1 2 357.414 2.977 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000366135969 511859945 /nfs/dbraw/zinc/85/99/45/511859945.db2.gz IMBRDMISKXEXOP-CQSZACIVSA-N 1 2 358.354 2.684 20 5 FFBDLO COC[C@]1(C)CC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000296773462 511891692 /nfs/dbraw/zinc/89/16/92/511891692.db2.gz PWNFKPNEHKHJCY-MEDUHNTESA-N 1 2 355.822 2.934 20 5 FFBDLO COC[C@]1(C)CC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000296773462 511891697 /nfs/dbraw/zinc/89/16/97/511891697.db2.gz PWNFKPNEHKHJCY-MEDUHNTESA-N 1 2 355.822 2.934 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCOC[C@@H]3[C@H]3CCC[C@H]3O)co2)cc1 ZINC000284861441 511902903 /nfs/dbraw/zinc/90/29/03/511902903.db2.gz QWKASBMYWVSSOI-KZNAEPCWSA-N 1 2 373.409 2.612 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCOC[C@@H]3[C@H]3CCC[C@H]3O)co2)cc1 ZINC000284861441 511902907 /nfs/dbraw/zinc/90/29/07/511902907.db2.gz QWKASBMYWVSSOI-KZNAEPCWSA-N 1 2 373.409 2.612 20 5 FFBDLO Cc1csc(C2([NH2+]CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)CCC2)n1 ZINC000275144003 512055167 /nfs/dbraw/zinc/05/51/67/512055167.db2.gz FGFKWFSVMVPJFM-UHFFFAOYSA-N 1 2 372.450 2.918 20 5 FFBDLO Cc1nc(NC[C@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000297192393 512056159 /nfs/dbraw/zinc/05/61/59/512056159.db2.gz QSFZKFBLYHAJEO-BXUZGUMPSA-N 1 2 363.443 2.629 20 5 FFBDLO Cc1nc(NC[C@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000297192393 512056162 /nfs/dbraw/zinc/05/61/62/512056162.db2.gz QSFZKFBLYHAJEO-BXUZGUMPSA-N 1 2 363.443 2.629 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411920260 512875048 /nfs/dbraw/zinc/87/50/48/512875048.db2.gz CDBMBQQHXOCJRH-SJLPKXTDSA-N 1 2 355.394 2.650 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411920260 512875050 /nfs/dbraw/zinc/87/50/50/512875050.db2.gz CDBMBQQHXOCJRH-SJLPKXTDSA-N 1 2 355.394 2.650 20 5 FFBDLO O=C(C[NH+]1CCC([C@@H]2CCOC2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000368271659 512875838 /nfs/dbraw/zinc/87/58/38/512875838.db2.gz JFMMDJUKAQJRJD-CYBMUJFWSA-N 1 2 367.833 2.935 20 5 FFBDLO COc1cc(C[N@@H+]2CCOCC[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000370358116 512891722 /nfs/dbraw/zinc/89/17/22/512891722.db2.gz FMLRNXCPRFQLJC-NSHDSACASA-N 1 2 360.357 2.858 20 5 FFBDLO COc1cc(C[N@H+]2CCOCC[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000370358116 512891725 /nfs/dbraw/zinc/89/17/25/512891725.db2.gz FMLRNXCPRFQLJC-NSHDSACASA-N 1 2 360.357 2.858 20 5 FFBDLO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000412185844 512989961 /nfs/dbraw/zinc/98/99/61/512989961.db2.gz MXXRUYWXLBZYTF-FGTMMUONSA-N 1 2 353.378 2.773 20 5 FFBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000376956708 513065870 /nfs/dbraw/zinc/06/58/70/513065870.db2.gz SITKXMFGNLJAIA-HOTGVXAUSA-N 1 2 356.426 2.913 20 5 FFBDLO Cc1ccccc1C[NH+]1CCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000433874107 513173284 /nfs/dbraw/zinc/17/32/84/513173284.db2.gz ULSHYCYVEUVRNW-UHFFFAOYSA-N 1 2 371.441 2.708 20 5 FFBDLO Cc1ccccc1C[NH+]1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 ZINC000433874107 513173293 /nfs/dbraw/zinc/17/32/93/513173293.db2.gz ULSHYCYVEUVRNW-UHFFFAOYSA-N 1 2 371.441 2.708 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000446085448 513182835 /nfs/dbraw/zinc/18/28/35/513182835.db2.gz WHZZADCALZVSSB-YGRLFVJLSA-N 1 2 355.822 2.668 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000446085448 513182839 /nfs/dbraw/zinc/18/28/39/513182839.db2.gz WHZZADCALZVSSB-YGRLFVJLSA-N 1 2 355.822 2.668 20 5 FFBDLO Cc1nc(N2CCN(c3nccc4c3cccc4[N+](=O)[O-])CC2)cc[nH+]1 ZINC000450440003 513195527 /nfs/dbraw/zinc/19/55/27/513195527.db2.gz POWQZDKUWHMNMH-UHFFFAOYSA-N 1 2 350.382 2.568 20 5 FFBDLO CC[C@@H](C)[C@H](CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])OC ZINC000450625410 513278749 /nfs/dbraw/zinc/27/87/49/513278749.db2.gz UGIXWDVPNOTREL-KDOFPFPSSA-N 1 2 351.447 2.900 20 5 FFBDLO Cc1cc(N2CC[C@@](O)(C(F)F)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450709352 513310790 /nfs/dbraw/zinc/31/07/90/513310790.db2.gz SHQITEUHANUHID-INIZCTEOSA-N 1 2 350.325 2.567 20 5 FFBDLO O=[N+]([O-])c1ccc([C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cc1 ZINC000450750917 513324349 /nfs/dbraw/zinc/32/43/49/513324349.db2.gz DBGLNXPKEHOVRZ-MRXNPFEDSA-N 1 2 369.425 2.605 20 5 FFBDLO O=[N+]([O-])c1ccc([C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1 ZINC000450750917 513324355 /nfs/dbraw/zinc/32/43/55/513324355.db2.gz DBGLNXPKEHOVRZ-MRXNPFEDSA-N 1 2 369.425 2.605 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1cnc(C(C)C)nc1 ZINC000440458426 513324424 /nfs/dbraw/zinc/32/44/24/513324424.db2.gz GVAMXPOHSQSHCO-UHFFFAOYSA-N 1 2 357.414 2.887 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1cnc(C(C)C)nc1 ZINC000440458426 513324429 /nfs/dbraw/zinc/32/44/29/513324429.db2.gz GVAMXPOHSQSHCO-UHFFFAOYSA-N 1 2 357.414 2.887 20 5 FFBDLO O=[N+]([O-])c1cnc(N2CCN(c3cccc[nH+]3)CC2)c(C(F)(F)F)c1 ZINC000413022759 513391558 /nfs/dbraw/zinc/39/15/58/513391558.db2.gz FXQNLXHHHWCMJA-UHFFFAOYSA-N 1 2 353.304 2.730 20 5 FFBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2cc([N+](=O)[O-])c[nH]2)c(C)c1 ZINC000440858008 513424772 /nfs/dbraw/zinc/42/47/72/513424772.db2.gz VGQPWYZGCRXAII-KRWDZBQOSA-N 1 2 353.382 2.908 20 5 FFBDLO CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425404237 513546400 /nfs/dbraw/zinc/54/64/00/513546400.db2.gz VQXQJUSCXRKXFK-ZDUSSCGKSA-N 1 2 370.247 2.848 20 5 FFBDLO CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425404237 513546407 /nfs/dbraw/zinc/54/64/07/513546407.db2.gz VQXQJUSCXRKXFK-ZDUSSCGKSA-N 1 2 370.247 2.848 20 5 FFBDLO CCC(CC)(CO)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447805391 513574701 /nfs/dbraw/zinc/57/47/01/513574701.db2.gz IVNLLLKNEQBIKT-UHFFFAOYSA-N 1 2 351.447 2.638 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@H]1Cc2cccc(O)c2C1 ZINC000447809777 513577166 /nfs/dbraw/zinc/57/71/66/513577166.db2.gz CRAAPQYKBXBVMS-INIZCTEOSA-N 1 2 369.421 2.712 20 5 FFBDLO Cc1nc(CCNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])c(C)o1 ZINC000447813473 513577778 /nfs/dbraw/zinc/57/77/78/513577778.db2.gz SGBSDAUHHNSNTL-UHFFFAOYSA-N 1 2 360.414 2.686 20 5 FFBDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)CC2 ZINC000430206042 513587823 /nfs/dbraw/zinc/58/78/23/513587823.db2.gz VOPBZVKUDKTXBW-UHFFFAOYSA-N 1 2 356.378 2.948 20 5 FFBDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)CC2 ZINC000430206042 513587833 /nfs/dbraw/zinc/58/78/33/513587833.db2.gz VOPBZVKUDKTXBW-UHFFFAOYSA-N 1 2 356.378 2.948 20 5 FFBDLO COc1cc(C[NH2+]C(C)(C)c2nnc3n2CCCC3)c([N+](=O)[O-])cc1F ZINC000451400357 513723798 /nfs/dbraw/zinc/72/37/98/513723798.db2.gz ARCOPHZHZJTMKL-UHFFFAOYSA-N 1 2 363.393 2.695 20 5 FFBDLO Cn1c2cc(F)ccc2[nH+]c1N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000431020922 513808202 /nfs/dbraw/zinc/80/82/02/513808202.db2.gz FTFMZGVGLHKQCA-UHFFFAOYSA-N 1 2 355.373 2.947 20 5 FFBDLO Cn1cc[nH+]c1CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436319379 513825402 /nfs/dbraw/zinc/82/54/02/513825402.db2.gz RSXFZWOQXIBAMQ-UHFFFAOYSA-N 1 2 368.343 2.623 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000426207124 513871528 /nfs/dbraw/zinc/87/15/28/513871528.db2.gz UHWTXLPRIABURL-ZDUSSCGKSA-N 1 2 363.414 2.505 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000426207124 513871531 /nfs/dbraw/zinc/87/15/31/513871531.db2.gz UHWTXLPRIABURL-ZDUSSCGKSA-N 1 2 363.414 2.505 20 5 FFBDLO C[N@H+](Cc1nc2ccccc2o1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000431594296 513938349 /nfs/dbraw/zinc/93/83/49/513938349.db2.gz FKCHQIWSUYRLIT-MRXNPFEDSA-N 1 2 366.377 2.973 20 5 FFBDLO C[N@@H+](Cc1nc2ccccc2o1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000431594296 513938356 /nfs/dbraw/zinc/93/83/56/513938356.db2.gz FKCHQIWSUYRLIT-MRXNPFEDSA-N 1 2 366.377 2.973 20 5 FFBDLO CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(C)(C)C[NH+]1CCOCC1 ZINC000414055062 513956649 /nfs/dbraw/zinc/95/66/49/513956649.db2.gz WMKCQDFOCUIOQV-UHFFFAOYSA-N 1 2 361.398 2.524 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCCCC[C@@H]1CCO ZINC000451761522 513962399 /nfs/dbraw/zinc/96/23/99/513962399.db2.gz OUQSDTZVMUCWPQ-OAHLLOKOSA-N 1 2 358.398 2.548 20 5 FFBDLO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000436958348 514048915 /nfs/dbraw/zinc/04/89/15/514048915.db2.gz GWDXAMRIEBCKMD-HOCLYGCPSA-N 1 2 369.421 2.941 20 5 FFBDLO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000436958348 514048921 /nfs/dbraw/zinc/04/89/21/514048921.db2.gz GWDXAMRIEBCKMD-HOCLYGCPSA-N 1 2 369.421 2.941 20 5 FFBDLO O=C(C[N@@H+]1CCC[C@]2(CCOC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000451900197 514056845 /nfs/dbraw/zinc/05/68/45/514056845.db2.gz LOJPWXNTOGIBSV-INIZCTEOSA-N 1 2 353.806 2.689 20 5 FFBDLO O=C(C[N@H+]1CCC[C@]2(CCOC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000451900197 514056851 /nfs/dbraw/zinc/05/68/51/514056851.db2.gz LOJPWXNTOGIBSV-INIZCTEOSA-N 1 2 353.806 2.689 20 5 FFBDLO CCc1[nH]nc(-c2nc(Cn3c4ccccc4[nH+]c3CC)no2)c1[N+](=O)[O-] ZINC000420489515 514171036 /nfs/dbraw/zinc/17/10/36/514171036.db2.gz GEDQKSUJXRSZML-UHFFFAOYSA-N 1 2 367.369 2.891 20 5 FFBDLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000432468188 514202700 /nfs/dbraw/zinc/20/27/00/514202700.db2.gz GCMXUNWBYIMWBY-UHFFFAOYSA-N 1 2 368.349 2.828 20 5 FFBDLO Cn1cc(Cl)c(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449473428 514223301 /nfs/dbraw/zinc/22/33/01/514223301.db2.gz BVNRULKARYZMQP-UHFFFAOYSA-N 1 2 360.805 2.672 20 5 FFBDLO CCC(CC)[C@@H](C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000452180021 514234714 /nfs/dbraw/zinc/23/47/14/514234714.db2.gz ARJWSNHGYNNDKB-KSSFIOAISA-N 1 2 363.458 2.909 20 5 FFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000449674415 514297205 /nfs/dbraw/zinc/29/72/05/514297205.db2.gz UQCRVJBVUOWAJF-QPUJVOFHSA-N 1 2 370.274 2.941 20 5 FFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000449674415 514297217 /nfs/dbraw/zinc/29/72/17/514297217.db2.gz UQCRVJBVUOWAJF-QPUJVOFHSA-N 1 2 370.274 2.941 20 5 FFBDLO CC(C)Cn1cc[nH+]c1CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000449935217 514430842 /nfs/dbraw/zinc/43/08/42/514430842.db2.gz PMQDQRBMPACOSH-UHFFFAOYSA-N 1 2 358.398 2.727 20 5 FFBDLO O=C(NCCNc1cccc[nH+]1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000438947219 514471320 /nfs/dbraw/zinc/47/13/20/514471320.db2.gz APXFNJCKOLITMO-UHFFFAOYSA-N 1 2 354.288 2.851 20 5 FFBDLO O=C(CCC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000450117765 514502151 /nfs/dbraw/zinc/50/21/51/514502151.db2.gz UKEUYABMGCHSMT-QGZVFWFLSA-N 1 2 369.377 2.633 20 5 FFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000455484216 514549621 /nfs/dbraw/zinc/54/96/21/514549621.db2.gz ZCSCEKYILQMDOS-CQSZACIVSA-N 1 2 374.445 2.982 20 5 FFBDLO Cc1cc(NC(=O)c2cccc(O)c2[N+](=O)[O-])ccc1OCC[NH+](C)C ZINC000458212388 514633656 /nfs/dbraw/zinc/63/36/56/514633656.db2.gz NHZWWFFNBJKDIZ-UHFFFAOYSA-N 1 2 359.382 2.802 20 5 FFBDLO CCn1ncnc1C[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000475566406 514717345 /nfs/dbraw/zinc/71/73/45/514717345.db2.gz ZWBFNRADLBTGIH-UHFFFAOYSA-N 1 2 357.370 2.765 20 5 FFBDLO COCC[N@H+](Cc1c(C)nn(C)c1C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000453606598 514718897 /nfs/dbraw/zinc/71/88/97/514718897.db2.gz FGYFIMOHDKMEDF-UHFFFAOYSA-N 1 2 362.430 2.602 20 5 FFBDLO COCC[N@@H+](Cc1c(C)nn(C)c1C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000453606598 514718903 /nfs/dbraw/zinc/71/89/03/514718903.db2.gz FGYFIMOHDKMEDF-UHFFFAOYSA-N 1 2 362.430 2.602 20 5 FFBDLO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000502665442 514731972 /nfs/dbraw/zinc/73/19/72/514731972.db2.gz GKIUKBWORFWKEA-UHFFFAOYSA-N 1 2 361.348 2.831 20 5 FFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(Oc2ccccn2)CC1 ZINC000471160104 514776556 /nfs/dbraw/zinc/77/65/56/514776556.db2.gz LQNCZQFUMDCZAI-AWEZNQCLSA-N 1 2 370.409 2.860 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cccc(C)n2)c([N+](=O)[O-])c1 ZINC000471194607 514790905 /nfs/dbraw/zinc/79/09/05/514790905.db2.gz FCGVHBAUGABZEJ-CYBMUJFWSA-N 1 2 358.398 2.766 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc(C)n2)c([N+](=O)[O-])c1 ZINC000471194607 514790916 /nfs/dbraw/zinc/79/09/16/514790916.db2.gz FCGVHBAUGABZEJ-CYBMUJFWSA-N 1 2 358.398 2.766 20 5 FFBDLO C[C@@]1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO[C@H]1C1CC1 ZINC000466842283 514798144 /nfs/dbraw/zinc/79/81/44/514798144.db2.gz BHCZRFFKTAUFDD-HKUYNNGSSA-N 1 2 370.409 2.716 20 5 FFBDLO CC(C)CCc1cc(=NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[nH][nH]1 ZINC000471415895 514878580 /nfs/dbraw/zinc/87/85/80/514878580.db2.gz PPEQDFHDKCJVJQ-UHFFFAOYSA-N 1 2 368.397 2.766 20 5 FFBDLO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000467211028 514940596 /nfs/dbraw/zinc/94/05/96/514940596.db2.gz GSFHBEJADKZODF-LBPRGKRZSA-N 1 2 363.805 2.822 20 5 FFBDLO O=[N+]([O-])c1cccc2ncnc(NCc3ccc(N4CCCC4)[nH+]c3)c21 ZINC000509064161 515007526 /nfs/dbraw/zinc/00/75/26/515007526.db2.gz ICDSVCZAOULMNT-UHFFFAOYSA-N 1 2 350.382 2.567 20 5 FFBDLO COC(=O)C[C@@](C)([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)c1ccccn1 ZINC000509139972 515041901 /nfs/dbraw/zinc/04/19/01/515041901.db2.gz ORURZCABJUZYJJ-GOSISDBHSA-N 1 2 359.382 2.567 20 5 FFBDLO CCN1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@H]1c1[nH]cc[nH+]1 ZINC000480721821 515058228 /nfs/dbraw/zinc/05/82/28/515058228.db2.gz WBYAZMYIONHKSS-KRWDZBQOSA-N 1 2 352.398 2.749 20 5 FFBDLO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@H]1c1ncc[nH]1 ZINC000480721821 515058240 /nfs/dbraw/zinc/05/82/40/515058240.db2.gz WBYAZMYIONHKSS-KRWDZBQOSA-N 1 2 352.398 2.749 20 5 FFBDLO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@H]1c1ncc[nH]1 ZINC000480721821 515058249 /nfs/dbraw/zinc/05/82/49/515058249.db2.gz WBYAZMYIONHKSS-KRWDZBQOSA-N 1 2 352.398 2.749 20 5 FFBDLO CCc1cc(NCCNC(=O)C(C)(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000503547248 515079137 /nfs/dbraw/zinc/07/91/37/515079137.db2.gz SIJOIIMLQDGOPQ-UHFFFAOYSA-N 1 2 371.441 2.610 20 5 FFBDLO C[C@H]1C[C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c2[nH+]ccn21 ZINC000456393195 515152197 /nfs/dbraw/zinc/15/21/97/515152197.db2.gz RLFGOKMONZQASJ-DZGCQCFKSA-N 1 2 369.425 2.830 20 5 FFBDLO CN(CCc1ccncc1)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000472367496 515248590 /nfs/dbraw/zinc/24/85/90/515248590.db2.gz HXZZUKMPGYUKTP-UHFFFAOYSA-N 1 2 356.426 2.501 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCOCC12CCCCC2 ZINC000456546500 515249001 /nfs/dbraw/zinc/24/90/01/515249001.db2.gz QAYZXUQZVQMUGI-UHFFFAOYSA-N 1 2 370.409 2.956 20 5 FFBDLO O=C1C[N@H+](Cc2cccc(NC/C=C\c3ccccc3[N+](=O)[O-])c2)CCN1 ZINC000462826518 515259739 /nfs/dbraw/zinc/25/97/39/515259739.db2.gz PFPDVZJWHRQBMY-DAXSKMNVSA-N 1 2 366.421 2.652 20 5 FFBDLO O=C1C[N@@H+](Cc2cccc(NC/C=C\c3ccccc3[N+](=O)[O-])c2)CCN1 ZINC000462826518 515259748 /nfs/dbraw/zinc/25/97/48/515259748.db2.gz PFPDVZJWHRQBMY-DAXSKMNVSA-N 1 2 366.421 2.652 20 5 FFBDLO CO[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C12CCC2 ZINC000456591982 515272506 /nfs/dbraw/zinc/27/25/06/515272506.db2.gz QRVXTFKGDQZAKM-DLBZAZTESA-N 1 2 370.409 2.810 20 5 FFBDLO C[N@@H+]1CCc2nc(NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)sc2C1 ZINC000490908548 515331413 /nfs/dbraw/zinc/33/14/13/515331413.db2.gz FCOKVPUEDQAUKV-UHFFFAOYSA-N 1 2 357.395 2.773 20 5 FFBDLO C[N@H+]1CCc2nc(NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)sc2C1 ZINC000490908548 515331422 /nfs/dbraw/zinc/33/14/22/515331422.db2.gz FCOKVPUEDQAUKV-UHFFFAOYSA-N 1 2 357.395 2.773 20 5 FFBDLO COC(=O)[C@H](Cc1ccc(C)cc1)[NH2+]CCNc1ccccc1[N+](=O)[O-] ZINC000481560972 515381280 /nfs/dbraw/zinc/38/12/80/515381280.db2.gz JFILOOJWAKYKJE-KRWDZBQOSA-N 1 2 357.410 2.689 20 5 FFBDLO Cc1[nH+]c2cc(NC(=O)c3cc([N+](=O)[O-])cnc3C)ccc2n1[C@H](C)CO ZINC000456720320 515383137 /nfs/dbraw/zinc/38/31/37/515383137.db2.gz QNXAJNZERRIBGM-SNVBAGLBSA-N 1 2 369.381 2.762 20 5 FFBDLO Cc1[nH+]c2cc(NC(=O)Cc3ccccc3[N+](=O)[O-])ccc2n1[C@@H](C)CO ZINC000456737969 515394034 /nfs/dbraw/zinc/39/40/34/515394034.db2.gz XVORNVJTHSPHQV-LBPRGKRZSA-N 1 2 368.393 2.987 20 5 FFBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@H]1COc2ccccc2O1 ZINC000510284434 515494102 /nfs/dbraw/zinc/49/41/02/515494102.db2.gz TYVPBCPGHGQEEX-ZDUSSCGKSA-N 1 2 354.366 2.743 20 5 FFBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@H]1COc2ccccc2O1 ZINC000510284434 515494109 /nfs/dbraw/zinc/49/41/09/515494109.db2.gz TYVPBCPGHGQEEX-ZDUSSCGKSA-N 1 2 354.366 2.743 20 5 FFBDLO Cc1ccccc1C[NH+]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000468828400 515540006 /nfs/dbraw/zinc/54/00/06/515540006.db2.gz FKHIDUDIYCKMSS-UHFFFAOYSA-N 1 2 355.394 2.567 20 5 FFBDLO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000505477927 515547899 /nfs/dbraw/zinc/54/78/99/515547899.db2.gz YBURAKRNLUNXKN-MRXNPFEDSA-N 1 2 373.384 2.676 20 5 FFBDLO O=C(C1CCC1)N1CC[NH+](CCNc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000477820712 515603148 /nfs/dbraw/zinc/60/31/48/515603148.db2.gz HGWDBBGEIURUMR-UHFFFAOYSA-N 1 2 366.849 2.604 20 5 FFBDLO Cc1ccc(C(=O)CC[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1 ZINC000459508667 515605475 /nfs/dbraw/zinc/60/54/75/515605475.db2.gz MDRZLWCANAKDAU-UHFFFAOYSA-N 1 2 354.410 2.693 20 5 FFBDLO O=C(NC[C@@H](CO)CC1CCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000500254693 515645739 /nfs/dbraw/zinc/64/57/39/515645739.db2.gz ABKLDPJMYBTJNZ-HNNXBMFYSA-N 1 2 372.425 2.699 20 5 FFBDLO Cc1ccsc1[C@H](CO)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000494643522 515907548 /nfs/dbraw/zinc/90/75/48/515907548.db2.gz RLHVSPWRRRJWSP-ZDUSSCGKSA-N 1 2 360.395 2.838 20 5 FFBDLO Cc1cc(C(=O)NCCNc2ccc3ccccc3[nH+]2)cc([N+](=O)[O-])c1 ZINC000469743539 515947099 /nfs/dbraw/zinc/94/70/99/515947099.db2.gz DBWHYTDZBJKJFM-UHFFFAOYSA-N 1 2 350.378 2.715 20 5 FFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@H](Cn2nc(C)nc2C)C1 ZINC000470173820 516160374 /nfs/dbraw/zinc/16/03/74/516160374.db2.gz GCMYUGLNWCICFO-JNMQVBFRSA-N 1 2 371.441 2.607 20 5 FFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@H](Cn2nc(C)nc2C)C1 ZINC000470173820 516160385 /nfs/dbraw/zinc/16/03/85/516160385.db2.gz GCMYUGLNWCICFO-JNMQVBFRSA-N 1 2 371.441 2.607 20 5 FFBDLO COCC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)(C)C ZINC000512956627 516424792 /nfs/dbraw/zinc/42/47/92/516424792.db2.gz ZMHUXKFKTXJPGJ-MRXNPFEDSA-N 1 2 360.414 2.962 20 5 FFBDLO COc1cc(NC[C@H](CC(C)C)[NH+]2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000535628899 516427162 /nfs/dbraw/zinc/42/71/62/516427162.db2.gz JCRZUXBGMVLLKT-ZDUSSCGKSA-N 1 2 355.410 2.901 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C)c1c(F)cncc1F ZINC000513271019 516548634 /nfs/dbraw/zinc/54/86/34/516548634.db2.gz IOGXQGCHQHBAPN-SNVBAGLBSA-N 1 2 350.325 2.866 20 5 FFBDLO Cc1cn2cc(NC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)ccc2[nH+]1 ZINC000523706766 516553540 /nfs/dbraw/zinc/55/35/40/516553540.db2.gz YVALGQMPFROGLK-UHFFFAOYSA-N 1 2 362.349 2.989 20 5 FFBDLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cn1 ZINC000531881335 516689558 /nfs/dbraw/zinc/68/95/58/516689558.db2.gz VQMPREYCLAMJOC-UHFFFAOYSA-N 1 2 353.338 2.518 20 5 FFBDLO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000554971938 516726573 /nfs/dbraw/zinc/72/65/73/516726573.db2.gz DZJADIUMJPGMJY-ZNMIVQPWSA-N 1 2 361.442 2.967 20 5 FFBDLO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000554971938 516726585 /nfs/dbraw/zinc/72/65/85/516726585.db2.gz DZJADIUMJPGMJY-ZNMIVQPWSA-N 1 2 361.442 2.967 20 5 FFBDLO O=C(Nc1cnc(CC2CC2)nc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000551695158 516824031 /nfs/dbraw/zinc/82/40/31/516824031.db2.gz ONIZBQKUFBTSBX-UHFFFAOYSA-N 1 2 364.365 2.775 20 5 FFBDLO O=[N+]([O-])c1ncccc1S(=O)(=O)N(Cc1ccccc1)c1cc[nH+]cc1 ZINC000532401616 516955623 /nfs/dbraw/zinc/95/56/23/516955623.db2.gz DHSVBSFTUHKXJW-UHFFFAOYSA-N 1 2 370.390 2.780 20 5 FFBDLO CC(C)N(C)c1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cn1 ZINC000558823116 516959746 /nfs/dbraw/zinc/95/97/46/516959746.db2.gz VFFWFFHMWBTYMZ-UHFFFAOYSA-N 1 2 370.457 2.552 20 5 FFBDLO Cn1c(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)ccc1[N+](=O)[O-] ZINC000544954458 517002917 /nfs/dbraw/zinc/00/29/17/517002917.db2.gz KWNMQWCHZFYPPR-UHFFFAOYSA-N 1 2 350.338 2.895 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]CCOc1ncccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000552062145 517057504 /nfs/dbraw/zinc/05/75/04/517057504.db2.gz NRZXDDKTHOYXEB-MRXNPFEDSA-N 1 2 371.372 2.620 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH+](Cc2ccco2)CC1 ZINC000532907358 517195832 /nfs/dbraw/zinc/19/58/32/517195832.db2.gz GBKJPDMYGYFPFL-UHFFFAOYSA-N 1 2 372.425 2.643 20 5 FFBDLO Cc1ccc2[nH+]c(CNC(=O)N3CCc4c(cccc4[N+](=O)[O-])C3)cn2c1 ZINC000559519865 517300593 /nfs/dbraw/zinc/30/05/93/517300593.db2.gz BYCMOWQIMFSQCK-UHFFFAOYSA-N 1 2 365.393 2.819 20 5 FFBDLO O=C(Nc1ccc([N+](=O)[O-])cc1F)NC1CCN(c2cccc[nH+]2)CC1 ZINC000542717705 517701264 /nfs/dbraw/zinc/70/12/64/517701264.db2.gz OIHQLAKZEQBBRJ-UHFFFAOYSA-N 1 2 359.361 2.919 20 5 FFBDLO O=C1C[C@@H]([N@@H+]2CCC=C(c3ccco3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000560414881 517784111 /nfs/dbraw/zinc/78/41/11/517784111.db2.gz FNAPNEGKHIVLHL-MRXNPFEDSA-N 1 2 367.361 2.609 20 5 FFBDLO O=C1C[C@@H]([N@H+]2CCC=C(c3ccco3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000560414881 517784121 /nfs/dbraw/zinc/78/41/21/517784121.db2.gz FNAPNEGKHIVLHL-MRXNPFEDSA-N 1 2 367.361 2.609 20 5 FFBDLO COc1cc[nH+]cc1CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000563291775 517797411 /nfs/dbraw/zinc/79/74/11/517797411.db2.gz AZYCTYRWXSWEQL-UHFFFAOYSA-N 1 2 364.361 2.990 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@@H](CO)c3cccc(F)c3)n2)c1 ZINC000542885571 517799823 /nfs/dbraw/zinc/79/98/23/517799823.db2.gz AWUVYVDWLQEGKH-HNNXBMFYSA-N 1 2 358.329 2.607 20 5 FFBDLO COc1ccc(C(=O)N(Cc2[nH]cc[nH+]2)c2cncc(C)c2)cc1[N+](=O)[O-] ZINC000550079733 517852269 /nfs/dbraw/zinc/85/22/69/517852269.db2.gz FROYDEKWIIIODT-UHFFFAOYSA-N 1 2 367.365 2.877 20 5 FFBDLO O=C(COc1ccccc1[N+](=O)[O-])NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000543125757 517922042 /nfs/dbraw/zinc/92/20/42/517922042.db2.gz HUDSTWMBJYAKAR-UHFFFAOYSA-N 1 2 352.350 2.680 20 5 FFBDLO CCOC(=O)c1ccnc(NCc2ccccc2-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000539196047 517946350 /nfs/dbraw/zinc/94/63/50/517946350.db2.gz MOHYUKQYSZBMLN-UHFFFAOYSA-N 1 2 367.365 2.964 20 5 FFBDLO COc1cc[nH+]cc1CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000554076967 518050536 /nfs/dbraw/zinc/05/05/36/518050536.db2.gz ICOIVKHHWKJRRG-JTQLQIEISA-N 1 2 365.773 2.736 20 5 FFBDLO O=C(c1cc(NCCCCn2cc[nH+]c2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000539806732 518164612 /nfs/dbraw/zinc/16/46/12/518164612.db2.gz WNKCUYHPCUNJIP-UHFFFAOYSA-N 1 2 357.414 2.920 20 5 FFBDLO O=C(C[N@H+]1CCCC[C@@H]1C1(O)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000572961801 518441021 /nfs/dbraw/zinc/44/10/21/518441021.db2.gz GWKJREMIUNDSEH-CQSZACIVSA-N 1 2 353.806 2.566 20 5 FFBDLO O=C(C[N@@H+]1CCCC[C@@H]1C1(O)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000572961801 518441027 /nfs/dbraw/zinc/44/10/27/518441027.db2.gz GWKJREMIUNDSEH-CQSZACIVSA-N 1 2 353.806 2.566 20 5 FFBDLO O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000570144398 518460877 /nfs/dbraw/zinc/46/08/77/518460877.db2.gz CDHUGONXTGWDQT-ZDUSSCGKSA-N 1 2 353.382 2.578 20 5 FFBDLO O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000570144398 518460885 /nfs/dbraw/zinc/46/08/85/518460885.db2.gz CDHUGONXTGWDQT-ZDUSSCGKSA-N 1 2 353.382 2.578 20 5 FFBDLO Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000581972730 518525982 /nfs/dbraw/zinc/52/59/82/518525982.db2.gz DDQMCJMYTMVIIA-GOSISDBHSA-N 1 2 372.421 2.846 20 5 FFBDLO Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000581972730 518525987 /nfs/dbraw/zinc/52/59/87/518525987.db2.gz DDQMCJMYTMVIIA-GOSISDBHSA-N 1 2 372.421 2.846 20 5 FFBDLO C[C@H](C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000564717120 518580989 /nfs/dbraw/zinc/58/09/89/518580989.db2.gz BPESQRCUFLJDIU-HOTGVXAUSA-N 1 2 368.437 2.999 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000579389467 518656426 /nfs/dbraw/zinc/65/64/26/518656426.db2.gz ROCRJHDYZXEALY-AWEZNQCLSA-N 1 2 363.805 2.932 20 5 FFBDLO CCC[C@@H](C)C(=O)NCC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000579620102 518768459 /nfs/dbraw/zinc/76/84/59/518768459.db2.gz SKHAPOPUVHAPOT-PBHICJAKSA-N 1 2 373.457 2.560 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000576983066 518861109 /nfs/dbraw/zinc/86/11/09/518861109.db2.gz KBWMBFCFLAKUFL-KRWDZBQOSA-N 1 2 355.394 2.995 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000576983066 518861116 /nfs/dbraw/zinc/86/11/16/518861116.db2.gz KBWMBFCFLAKUFL-KRWDZBQOSA-N 1 2 355.394 2.995 20 5 FFBDLO CC(C)[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](O)C(F)(F)F ZINC000589161934 518934372 /nfs/dbraw/zinc/93/43/72/518934372.db2.gz AIPDFQWPTWBNDY-STQMWFEESA-N 1 2 374.319 2.682 20 5 FFBDLO COc1c(C)[nH+]c(C2CC2)nc1N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000582917131 518985075 /nfs/dbraw/zinc/98/50/75/518985075.db2.gz ZXLQGBKMTOWFDM-UHFFFAOYSA-N 1 2 356.382 2.978 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C[C@@H]2COc3ccccc3O2)c1 ZINC000589494428 519016487 /nfs/dbraw/zinc/01/64/87/519016487.db2.gz KORFUQVHSWLOTM-OAHLLOKOSA-N 1 2 372.377 2.653 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)C[C@@H]2COc3ccccc3O2)c1 ZINC000589494428 519016493 /nfs/dbraw/zinc/01/64/93/519016493.db2.gz KORFUQVHSWLOTM-OAHLLOKOSA-N 1 2 372.377 2.653 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]cc(CCNc3cc(NCC4CC4)[nH+]cn3)c2c1 ZINC000577317966 519019182 /nfs/dbraw/zinc/01/91/82/519019182.db2.gz RAURQOHCQSTHKM-UHFFFAOYSA-N 1 2 352.398 2.765 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]cc(CCNc3cc(NCC4CC4)nc[nH+]3)c2c1 ZINC000577317966 519019184 /nfs/dbraw/zinc/01/91/84/519019184.db2.gz RAURQOHCQSTHKM-UHFFFAOYSA-N 1 2 352.398 2.765 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H]1[C@@H]1CCCOC1 ZINC000580200475 519058301 /nfs/dbraw/zinc/05/83/01/519058301.db2.gz VOORAEUSKKUAHA-CVEARBPZSA-N 1 2 370.409 2.812 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@@H](OC(F)F)C1 ZINC000590701870 519323797 /nfs/dbraw/zinc/32/37/97/519323797.db2.gz NPKHAAFXMNBWOY-GFCCVEGCSA-N 1 2 366.324 2.624 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](c3cc(C)ccn3)C2)c([N+](=O)[O-])c1 ZINC000584061797 519572503 /nfs/dbraw/zinc/57/25/03/519572503.db2.gz VLAYEMKZVNZIIT-CQSZACIVSA-N 1 2 370.409 2.735 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](c3cc(C)ccn3)C2)c([N+](=O)[O-])c1 ZINC000584061797 519572512 /nfs/dbraw/zinc/57/25/12/519572512.db2.gz VLAYEMKZVNZIIT-CQSZACIVSA-N 1 2 370.409 2.735 20 5 FFBDLO O=C1[C@H]([N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000572411957 519600301 /nfs/dbraw/zinc/60/03/01/519600301.db2.gz MLBCRDWZXNJEHT-KURKYZTESA-N 1 2 371.437 2.734 20 5 FFBDLO O=C1[C@H]([N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000572411957 519600304 /nfs/dbraw/zinc/60/03/04/519600304.db2.gz MLBCRDWZXNJEHT-KURKYZTESA-N 1 2 371.437 2.734 20 5 FFBDLO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000602891737 519952739 /nfs/dbraw/zinc/95/27/39/519952739.db2.gz DEKBBSCEMYIQTD-UHFFFAOYSA-N 1 2 368.319 2.818 20 5 FFBDLO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000602891737 519952748 /nfs/dbraw/zinc/95/27/48/519952748.db2.gz DEKBBSCEMYIQTD-UHFFFAOYSA-N 1 2 368.319 2.818 20 5 FFBDLO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000602891737 519952753 /nfs/dbraw/zinc/95/27/53/519952753.db2.gz DEKBBSCEMYIQTD-UHFFFAOYSA-N 1 2 368.319 2.818 20 5 FFBDLO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000602891737 519952759 /nfs/dbraw/zinc/95/27/59/519952759.db2.gz DEKBBSCEMYIQTD-UHFFFAOYSA-N 1 2 368.319 2.818 20 5 FFBDLO CCn1nc(C)c(C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c1C ZINC000602927745 519978473 /nfs/dbraw/zinc/97/84/73/519978473.db2.gz YFHASSTUJXVKGA-AWEZNQCLSA-N 1 2 359.430 2.887 20 5 FFBDLO CCn1nc(C)c(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c1C ZINC000602927745 519978481 /nfs/dbraw/zinc/97/84/81/519978481.db2.gz YFHASSTUJXVKGA-AWEZNQCLSA-N 1 2 359.430 2.887 20 5 FFBDLO O=C(C[NH2+][C@H](CF)c1ccc(F)cc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000603021668 520029124 /nfs/dbraw/zinc/02/91/24/520029124.db2.gz VCUBIVJDEOZHAC-MRXNPFEDSA-N 1 2 361.348 2.923 20 5 FFBDLO CCOC(=O)Cc1ccc(N[C@H]2CCN(c3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000591925633 520090667 /nfs/dbraw/zinc/09/06/67/520090667.db2.gz VZQOUWLGVXXXAU-HNNXBMFYSA-N 1 2 370.409 2.786 20 5 FFBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC(F)(F)c2cccc(F)c2)c1 ZINC000594717738 520109615 /nfs/dbraw/zinc/10/96/15/520109615.db2.gz FVVMMBPTMYPSSY-OAHLLOKOSA-N 1 2 370.327 2.855 20 5 FFBDLO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000600230074 520140126 /nfs/dbraw/zinc/14/01/26/520140126.db2.gz ZBWYDDPDQLPYNF-AWEZNQCLSA-N 1 2 357.414 2.608 20 5 FFBDLO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000600230074 520140134 /nfs/dbraw/zinc/14/01/34/520140134.db2.gz ZBWYDDPDQLPYNF-AWEZNQCLSA-N 1 2 357.414 2.608 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1nc(C[NH+]2CCCCC2)no1 ZINC000597622681 520141952 /nfs/dbraw/zinc/14/19/52/520141952.db2.gz ZZIXPIGLCDRWKC-UHFFFAOYSA-N 1 2 373.413 2.511 20 5 FFBDLO C[C@@H]([NH2+][C@H](C)c1nnc2n1CCCCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000613062684 520297784 /nfs/dbraw/zinc/29/77/84/520297784.db2.gz ONDXMRPVBVHKDB-CHWSQXEVSA-N 1 2 372.429 2.591 20 5 FFBDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2cc([N+](=O)[O-])cn2C)C[C@H](C)O1 ZINC000603814503 520366023 /nfs/dbraw/zinc/36/60/23/520366023.db2.gz HPDLZRPQHFQZJB-KBPBESRZSA-N 1 2 372.425 2.795 20 5 FFBDLO Cc1nccc([C@H]2CCC[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000603833962 520371635 /nfs/dbraw/zinc/37/16/35/520371635.db2.gz AOSFHGWXAMEZEI-AWEZNQCLSA-N 1 2 355.398 2.511 20 5 FFBDLO Cc1nccc([C@H]2CCC[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000603833962 520371645 /nfs/dbraw/zinc/37/16/45/520371645.db2.gz AOSFHGWXAMEZEI-AWEZNQCLSA-N 1 2 355.398 2.511 20 5 FFBDLO O=C(NCCNc1cccc[nH+]1)c1ccc([N+](=O)[O-])cc1Br ZINC000610090472 520535454 /nfs/dbraw/zinc/53/54/54/520535454.db2.gz OKWAQJYBAPMWBA-UHFFFAOYSA-N 1 2 365.187 2.594 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000610221231 520588696 /nfs/dbraw/zinc/58/86/96/520588696.db2.gz CHGPORIGOVQBQL-SFHVURJKSA-N 1 2 368.368 2.916 20 5 FFBDLO O=C(C[NH+]1CCC(c2ccco2)CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000595616274 520593946 /nfs/dbraw/zinc/59/39/46/520593946.db2.gz AIHGPGOYCJDZRJ-UHFFFAOYSA-N 1 2 373.365 2.735 20 5 FFBDLO CN1CC[NH+](Cc2cccc(NC(=O)c3c(F)cccc3[N+](=O)[O-])c2)CC1 ZINC000601015713 520597766 /nfs/dbraw/zinc/59/77/66/520597766.db2.gz OBOAQVMXEBVOMV-UHFFFAOYSA-N 1 2 372.400 2.734 20 5 FFBDLO C[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000598459297 520628630 /nfs/dbraw/zinc/62/86/30/520628630.db2.gz HEKVMINDPMLWBF-JTQLQIEISA-N 1 2 352.778 2.628 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cscn2)c([N+](=O)[O-])c1 ZINC000595666805 520633229 /nfs/dbraw/zinc/63/32/29/520633229.db2.gz CSNKSKPSCRRTCB-UWVGGRQHSA-N 1 2 350.400 2.738 20 5 FFBDLO C[C@@](CO)([NH2+]Cc1ccncc1Br)c1cccc([N+](=O)[O-])c1 ZINC000601149081 520660375 /nfs/dbraw/zinc/66/03/75/520660375.db2.gz IIDKJWJZEXISSU-HNNXBMFYSA-N 1 2 366.215 2.750 20 5 FFBDLO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000601246178 520704331 /nfs/dbraw/zinc/70/43/31/520704331.db2.gz OPUBJVLKASGXBO-UHFFFAOYSA-N 1 2 356.382 2.650 20 5 FFBDLO Cc1cc(N[C@H]2CCCn3nccc32)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000601269545 520716561 /nfs/dbraw/zinc/71/65/61/520716561.db2.gz HNWDBYLLPOLMIH-HNNXBMFYSA-N 1 2 350.382 2.926 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595831647 520754992 /nfs/dbraw/zinc/75/49/92/520754992.db2.gz LNYGIYADVKAROU-MRXNPFEDSA-N 1 2 371.393 2.695 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595831647 520755001 /nfs/dbraw/zinc/75/50/01/520755001.db2.gz LNYGIYADVKAROU-MRXNPFEDSA-N 1 2 371.393 2.695 20 5 FFBDLO CC1(C)CC[C@@H](CO)[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000598649964 520761739 /nfs/dbraw/zinc/76/17/39/520761739.db2.gz VTZVCOUXOKGJKL-LBPRGKRZSA-N 1 2 355.822 2.670 20 5 FFBDLO CC1(C)CC[C@@H](CO)[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000598649964 520761748 /nfs/dbraw/zinc/76/17/48/520761748.db2.gz VTZVCOUXOKGJKL-LBPRGKRZSA-N 1 2 355.822 2.670 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC(CC(F)(F)F)C1 ZINC000610744919 520826357 /nfs/dbraw/zinc/82/63/57/520826357.db2.gz KYZMGEWQJQNXKA-UHFFFAOYSA-N 1 2 354.288 2.805 20 5 FFBDLO CN(Cc1ccccc1[N+](=O)[O-])c1nc2c(cnn2C(C)(C)C)c(N)[nH+]1 ZINC000596078645 520899663 /nfs/dbraw/zinc/89/96/63/520899663.db2.gz YLBPUPSSKJLCML-UHFFFAOYSA-N 1 2 355.402 2.708 20 5 FFBDLO Cc1sc(C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000593323102 520909555 /nfs/dbraw/zinc/90/95/55/520909555.db2.gz PQHQNFIPOJJTFY-OAHLLOKOSA-N 1 2 359.451 2.964 20 5 FFBDLO Cc1sc(C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000593323102 520909557 /nfs/dbraw/zinc/90/95/57/520909557.db2.gz PQHQNFIPOJJTFY-OAHLLOKOSA-N 1 2 359.451 2.964 20 5 FFBDLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000598949548 520938802 /nfs/dbraw/zinc/93/88/02/520938802.db2.gz VSVZBWPDIKPYJG-SNVBAGLBSA-N 1 2 354.288 2.555 20 5 FFBDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1c1ccc(N)c([N+](=O)[O-])n1 ZINC000596173872 520951891 /nfs/dbraw/zinc/95/18/91/520951891.db2.gz BFOSWOSKIGOMDP-ZDUSSCGKSA-N 1 2 352.398 2.899 20 5 FFBDLO COc1cc(N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC000596232690 520987277 /nfs/dbraw/zinc/98/72/77/520987277.db2.gz SAWAMFRDWGUAAV-NEPJUHHUSA-N 1 2 355.822 2.556 20 5 FFBDLO C[N@H+]1Cc2ccccc2[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611134196 521002757 /nfs/dbraw/zinc/00/27/57/521002757.db2.gz PEIBNBQRERUXFK-INIZCTEOSA-N 1 2 355.394 2.642 20 5 FFBDLO C[N@@H+]1Cc2ccccc2[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611134196 521002765 /nfs/dbraw/zinc/00/27/65/521002765.db2.gz PEIBNBQRERUXFK-INIZCTEOSA-N 1 2 355.394 2.642 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH+]2CC(Cc3cccs3)C2)cc1 ZINC000601964820 521044508 /nfs/dbraw/zinc/04/45/08/521044508.db2.gz PRKLEOYTRZHOKU-UHFFFAOYSA-N 1 2 366.464 2.605 20 5 FFBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000611252424 521057412 /nfs/dbraw/zinc/05/74/12/521057412.db2.gz KYZMWXDSFZERMD-UHFFFAOYSA-N 1 2 355.320 2.659 20 5 FFBDLO O=[N+]([O-])c1cc2c(cc1C[NH+]1CC(c3nc4ccccc4[nH]3)C1)OCCO2 ZINC000611273824 521073663 /nfs/dbraw/zinc/07/36/63/521073663.db2.gz IASKUPMZHHHMRB-UHFFFAOYSA-N 1 2 366.377 2.842 20 5 FFBDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000602056521 521109121 /nfs/dbraw/zinc/10/91/21/521109121.db2.gz SKDJNBJDRMUTPD-LJQANCHMSA-N 1 2 369.421 2.836 20 5 FFBDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000602056521 521109132 /nfs/dbraw/zinc/10/91/32/521109132.db2.gz SKDJNBJDRMUTPD-LJQANCHMSA-N 1 2 369.421 2.836 20 5 FFBDLO CC[C@H]([NH2+]CC1=Nc2ccccc2S(=O)(=O)N1)c1cccc([N+](=O)[O-])c1 ZINC000611403577 521138074 /nfs/dbraw/zinc/13/80/74/521138074.db2.gz SLSWFNQXDTYWSS-AWEZNQCLSA-N 1 2 374.422 2.658 20 5 FFBDLO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000596598612 521157142 /nfs/dbraw/zinc/15/71/42/521157142.db2.gz IQUIQMJEGGDJKI-UHFFFAOYSA-N 1 2 358.398 2.769 20 5 FFBDLO CC1(C)Cc2n[nH]cc2C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000596598612 521157148 /nfs/dbraw/zinc/15/71/48/521157148.db2.gz IQUIQMJEGGDJKI-UHFFFAOYSA-N 1 2 358.398 2.769 20 5 FFBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cncc(F)c1 ZINC000611485469 521180254 /nfs/dbraw/zinc/18/02/54/521180254.db2.gz VVJIKLVSGLZCTE-NSHDSACASA-N 1 2 355.329 2.806 20 5 FFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1Cc2ccc(O)cc2C1 ZINC000599536820 521282320 /nfs/dbraw/zinc/28/23/20/521282320.db2.gz SZZVJHNMAHXSRB-UHFFFAOYSA-N 1 2 355.350 2.614 20 5 FFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1Cc2ccc(O)cc2C1 ZINC000599536820 521282324 /nfs/dbraw/zinc/28/23/24/521282324.db2.gz SZZVJHNMAHXSRB-UHFFFAOYSA-N 1 2 355.350 2.614 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594027542 521359496 /nfs/dbraw/zinc/35/94/96/521359496.db2.gz VUGITNHQQPZYED-HNNXBMFYSA-N 1 2 363.414 2.575 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594027542 521359502 /nfs/dbraw/zinc/35/95/02/521359502.db2.gz VUGITNHQQPZYED-HNNXBMFYSA-N 1 2 363.414 2.575 20 5 FFBDLO COC(=O)C1C[C@@H](C)[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000599687373 521402553 /nfs/dbraw/zinc/40/25/53/521402553.db2.gz BRSMESJGWPHHIG-CHWSQXEVSA-N 1 2 363.414 2.504 20 5 FFBDLO COCCCOCC[N@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602595086 521429648 /nfs/dbraw/zinc/42/96/48/521429648.db2.gz HFIQLIXKALRCCG-UHFFFAOYSA-N 1 2 367.265 2.904 20 5 FFBDLO COCCCOCC[N@@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602595086 521429652 /nfs/dbraw/zinc/42/96/52/521429652.db2.gz HFIQLIXKALRCCG-UHFFFAOYSA-N 1 2 367.265 2.904 20 5 FFBDLO CCOCCOCC[N@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602632707 521447119 /nfs/dbraw/zinc/44/71/19/521447119.db2.gz YUTCJPRIHSFBJY-UHFFFAOYSA-N 1 2 367.265 2.904 20 5 FFBDLO CCOCCOCC[N@@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602632707 521447120 /nfs/dbraw/zinc/44/71/20/521447120.db2.gz YUTCJPRIHSFBJY-UHFFFAOYSA-N 1 2 367.265 2.904 20 5 FFBDLO COCC[N@H+](Cc1cc(Br)c([N+](=O)[O-])s1)[C@H]1CCOC1 ZINC000602642410 521453760 /nfs/dbraw/zinc/45/37/60/521453760.db2.gz XFCYKKZMJXLNST-VIFPVBQESA-N 1 2 365.249 2.656 20 5 FFBDLO COCC[N@@H+](Cc1cc(Br)c([N+](=O)[O-])s1)[C@H]1CCOC1 ZINC000602642410 521453764 /nfs/dbraw/zinc/45/37/64/521453764.db2.gz XFCYKKZMJXLNST-VIFPVBQESA-N 1 2 365.249 2.656 20 5 FFBDLO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602686912 521479609 /nfs/dbraw/zinc/47/96/09/521479609.db2.gz SDDXQUTZRJIHQU-ZDUSSCGKSA-N 1 2 374.363 2.849 20 5 FFBDLO CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602686912 521479617 /nfs/dbraw/zinc/47/96/17/521479617.db2.gz SDDXQUTZRJIHQU-ZDUSSCGKSA-N 1 2 374.363 2.849 20 5 FFBDLO CN(CCCn1cc[nH+]c1)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597100249 521506385 /nfs/dbraw/zinc/50/63/85/521506385.db2.gz HPNVFAFEXSFWFX-UHFFFAOYSA-N 1 2 352.782 2.581 20 5 FFBDLO COc1cc(C[NH2+][C@@H](C)c2nccn2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000597234326 521588826 /nfs/dbraw/zinc/58/88/26/521588826.db2.gz XCMSXWBDLYFDHH-JTQLQIEISA-N 1 2 370.356 2.832 20 5 FFBDLO CCS[C@H]1CC[C@H]([N@H+](C)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000173486590 729048625 /nfs/dbraw/zinc/04/86/25/729048625.db2.gz VEIPWTXIVKNYSG-RYUDHWBXSA-N 1 2 363.439 2.754 20 5 FFBDLO CCS[C@H]1CC[C@H]([N@@H+](C)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000173486590 729048629 /nfs/dbraw/zinc/04/86/29/729048629.db2.gz VEIPWTXIVKNYSG-RYUDHWBXSA-N 1 2 363.439 2.754 20 5 FFBDLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000857943421 730414392 /nfs/dbraw/zinc/41/43/92/730414392.db2.gz FQHDHEZVADHXFP-SECBINFHSA-N 1 2 355.181 2.843 20 5 FFBDLO C[C@@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872027614 731721988 /nfs/dbraw/zinc/72/19/88/731721988.db2.gz MFRPTCMQOQDEHA-CYBMUJFWSA-N 1 2 366.414 3.000 20 5 FFBDLO C[C@@H]([NH2+]CCS(=O)(=O)c1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872028992 731722208 /nfs/dbraw/zinc/72/22/08/731722208.db2.gz UPHGLXOYIVCMEV-GFCCVEGCSA-N 1 2 352.387 2.858 20 5 FFBDLO CC(C)c1ccc(C[N@@H+]2CC[C@H]3CS(=O)(=O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000877787197 732431144 /nfs/dbraw/zinc/43/11/44/732431144.db2.gz HXDHZGXEYPJELS-LSDHHAIUSA-N 1 2 352.456 2.585 20 5 FFBDLO CC(C)c1ccc(C[N@H+]2CC[C@H]3CS(=O)(=O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000877787197 732431148 /nfs/dbraw/zinc/43/11/48/732431148.db2.gz HXDHZGXEYPJELS-LSDHHAIUSA-N 1 2 352.456 2.585 20 5 FFBDLO O=C(OCCCn1cc[nH+]c1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000784045745 738858103 /nfs/dbraw/zinc/85/81/03/738858103.db2.gz VXZQVZUPIYCATH-UHFFFAOYSA-N 1 2 354.160 2.801 20 5 FFBDLO O=[N+]([O-])c1c2ccncc2ccc1N1CC[NH+](Cc2cncs2)CC1 ZINC000894854440 734928279 /nfs/dbraw/zinc/92/82/79/734928279.db2.gz BMCODCFEDJSERH-UHFFFAOYSA-N 1 2 355.423 2.922 20 5 FFBDLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000741149260 735121215 /nfs/dbraw/zinc/12/12/15/735121215.db2.gz WPSIWANCGNALOC-CQSZACIVSA-N 1 2 369.805 2.604 20 5 FFBDLO CC[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000741149260 735121217 /nfs/dbraw/zinc/12/12/17/735121217.db2.gz WPSIWANCGNALOC-CQSZACIVSA-N 1 2 369.805 2.604 20 5 FFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000928643723 738887926 /nfs/dbraw/zinc/88/79/26/738887926.db2.gz LTMYTOZTGUCKAK-CYBMUJFWSA-N 1 2 367.471 2.547 20 5 FFBDLO CCCCCC(=O)NC1CC[NH+](Cn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000748300895 735633676 /nfs/dbraw/zinc/63/36/76/735633676.db2.gz OFNCORBDXZETNJ-UHFFFAOYSA-N 1 2 351.451 2.527 20 5 FFBDLO C[N@@H+](CC(=O)Nc1ccccc1Cl)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750037031 735767634 /nfs/dbraw/zinc/76/76/34/735767634.db2.gz OFDUCPBEBFZTBD-INIZCTEOSA-N 1 2 363.801 2.852 20 5 FFBDLO C[N@H+](CC(=O)Nc1ccccc1Cl)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750037031 735767637 /nfs/dbraw/zinc/76/76/37/735767637.db2.gz OFDUCPBEBFZTBD-INIZCTEOSA-N 1 2 363.801 2.852 20 5 FFBDLO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c1 ZINC000930759236 739158665 /nfs/dbraw/zinc/15/86/65/739158665.db2.gz LCQOTZZDMWFXBF-CYBMUJFWSA-N 1 2 366.219 2.786 20 5 FFBDLO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CCC[C@@H](n3ccnn3)C2)c1 ZINC000930759236 739158669 /nfs/dbraw/zinc/15/86/69/739158669.db2.gz LCQOTZZDMWFXBF-CYBMUJFWSA-N 1 2 366.219 2.786 20 5 FFBDLO O=C(NC1CC1)OC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000810036481 741374424 /nfs/dbraw/zinc/37/44/24/741374424.db2.gz HMRBONYFFFJWRI-HNNXBMFYSA-N 1 2 351.378 2.977 20 5 FFBDLO O=C(NC1CC1)OC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000810036481 741374428 /nfs/dbraw/zinc/37/44/28/741374428.db2.gz HMRBONYFFFJWRI-HNNXBMFYSA-N 1 2 351.378 2.977 20 5 FFBDLO C[C@@H]1C[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CCC1(F)F ZINC000811781220 741557913 /nfs/dbraw/zinc/55/79/13/741557913.db2.gz VVHWFWDFSMGMSK-GFCCVEGCSA-N 1 2 354.357 2.771 20 5 FFBDLO C[C@@H]1C[N@@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CCC1(F)F ZINC000811781220 741557916 /nfs/dbraw/zinc/55/79/16/741557916.db2.gz VVHWFWDFSMGMSK-GFCCVEGCSA-N 1 2 354.357 2.771 20 5 FFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000817278525 742116611 /nfs/dbraw/zinc/11/66/11/742116611.db2.gz XEJZSRZAYBZXNP-GRYCIOLGSA-N 1 2 355.822 2.526 20 5 FFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000817278525 742116613 /nfs/dbraw/zinc/11/66/13/742116613.db2.gz XEJZSRZAYBZXNP-GRYCIOLGSA-N 1 2 355.822 2.526 20 5 FFBDLO C[N@H+](CCn1cnc(Br)n1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000821390480 742620074 /nfs/dbraw/zinc/62/00/74/742620074.db2.gz AVBFASRSZYRZDQ-UHFFFAOYSA-N 1 2 374.626 2.734 20 5 FFBDLO C[N@@H+](CCn1cnc(Br)n1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000821390480 742620078 /nfs/dbraw/zinc/62/00/78/742620078.db2.gz AVBFASRSZYRZDQ-UHFFFAOYSA-N 1 2 374.626 2.734 20 5 FFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c1Br ZINC000823469677 742920453 /nfs/dbraw/zinc/92/04/53/742920453.db2.gz ZPUCCZUMOBZUIX-LBPRGKRZSA-N 1 2 366.219 2.786 20 5 FFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H](n3ccnn3)C2)c1Br ZINC000823469677 742920459 /nfs/dbraw/zinc/92/04/59/742920459.db2.gz ZPUCCZUMOBZUIX-LBPRGKRZSA-N 1 2 366.219 2.786 20 5 FFBDLO Cc1nnc([C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3Br)C2)[nH]1 ZINC000839660246 746884900 /nfs/dbraw/zinc/88/49/00/746884900.db2.gz DEUXHRJTQSZNAI-NSHDSACASA-N 1 2 366.219 2.773 20 5 FFBDLO Cc1nnc([C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3Br)C2)[nH]1 ZINC000839660246 746884903 /nfs/dbraw/zinc/88/49/03/746884903.db2.gz DEUXHRJTQSZNAI-NSHDSACASA-N 1 2 366.219 2.773 20 5 FFBDLO Cc1n[nH]c([C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3Br)C2)n1 ZINC000839660246 746884908 /nfs/dbraw/zinc/88/49/08/746884908.db2.gz DEUXHRJTQSZNAI-NSHDSACASA-N 1 2 366.219 2.773 20 5 FFBDLO Cc1n[nH]c([C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3Br)C2)n1 ZINC000839660246 746884911 /nfs/dbraw/zinc/88/49/11/746884911.db2.gz DEUXHRJTQSZNAI-NSHDSACASA-N 1 2 366.219 2.773 20 5 FFBDLO CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000839719847 746902993 /nfs/dbraw/zinc/90/29/93/746902993.db2.gz ANCSVHFMNLDGDJ-CAPXZKIUSA-N 1 2 369.824 2.784 20 5 FFBDLO CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000839719847 746902995 /nfs/dbraw/zinc/90/29/95/746902995.db2.gz ANCSVHFMNLDGDJ-CAPXZKIUSA-N 1 2 369.824 2.784 20 5 FFBDLO O=C(CCn1cc[nH+]c1)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000839864267 746946386 /nfs/dbraw/zinc/94/63/86/746946386.db2.gz PTXUTYKBUACTBX-CYBMUJFWSA-N 1 2 360.267 2.740 20 5 FFBDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1cccc([N+](=O)[O-])c1Br ZINC000840234516 747046347 /nfs/dbraw/zinc/04/63/47/747046347.db2.gz BRULFUBZCZIBRC-GFCCVEGCSA-N 1 2 357.204 2.885 20 5 FFBDLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1cccc([N+](=O)[O-])c1Br ZINC000840234516 747046350 /nfs/dbraw/zinc/04/63/50/747046350.db2.gz BRULFUBZCZIBRC-GFCCVEGCSA-N 1 2 357.204 2.885 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844437284 748029723 /nfs/dbraw/zinc/02/97/23/748029723.db2.gz JKXHDMYXLKKCHD-OAHLLOKOSA-N 1 2 355.341 2.663 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844437284 748029730 /nfs/dbraw/zinc/02/97/30/748029730.db2.gz JKXHDMYXLKKCHD-OAHLLOKOSA-N 1 2 355.341 2.663 20 5 FFBDLO O=C(NCCSC(F)(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000053570587 845280126 /nfs/dbraw/zinc/28/01/26/845280126.db2.gz ILMGSNGFQOPLNR-UHFFFAOYSA-N 1 2 360.317 2.763 20 5 FFBDLO Cc1nn(C[NH+]2CCC(NC(=O)c3cccc(C)c3)CC2)c(C)c1[N+](=O)[O-] ZINC000872688823 1013248847 /nfs/dbraw/zinc/24/88/47/1013248847.db2.gz NSJXSSFQYXDBHF-UHFFFAOYSA-N 1 2 371.441 2.568 20 5 FFBDLO Cc1nn(C[N@@H+]2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000872816784 1013266827 /nfs/dbraw/zinc/26/68/27/1013266827.db2.gz OFOZPUCFKSMQCB-ZANVPECISA-N 1 2 373.335 2.647 20 5 FFBDLO Cc1nn(C[N@H+]2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000872816784 1013266834 /nfs/dbraw/zinc/26/68/34/1013266834.db2.gz OFOZPUCFKSMQCB-ZANVPECISA-N 1 2 373.335 2.647 20 5 FFBDLO CCOc1ccc(C(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000874894779 1013926126 /nfs/dbraw/zinc/92/61/26/1013926126.db2.gz UBIHOJXXYBQUHX-INIZCTEOSA-N 1 2 373.384 2.919 20 5 FFBDLO Cc1ccc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c(N(C)C)[nH+]1 ZINC000125735854 975347417 /nfs/dbraw/zinc/34/74/17/975347417.db2.gz QLTQIFMORHCUAP-UHFFFAOYSA-N 1 2 355.398 2.954 20 5 FFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000905732675 980501666 /nfs/dbraw/zinc/50/16/66/980501666.db2.gz BAGBVHIXUBRHLE-GFCCVEGCSA-N 1 2 374.422 2.871 20 5 FFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000905732675 980501668 /nfs/dbraw/zinc/50/16/68/980501668.db2.gz BAGBVHIXUBRHLE-GFCCVEGCSA-N 1 2 374.422 2.871 20 5 FFBDLO CO[C@@H]1C[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3F)Cc3cccnc3N2C1 ZINC000877687741 1014680632 /nfs/dbraw/zinc/68/06/32/1014680632.db2.gz LMILPRCOGWFIHJ-DLBZAZTESA-N 1 2 372.400 2.738 20 5 FFBDLO CO[C@@H]1C[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)Cc3cccnc3N2C1 ZINC000877687741 1014680636 /nfs/dbraw/zinc/68/06/36/1014680636.db2.gz LMILPRCOGWFIHJ-DLBZAZTESA-N 1 2 372.400 2.738 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CC[C@H](C2CC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000897510535 981371836 /nfs/dbraw/zinc/37/18/36/981371836.db2.gz VWZFLHRYAZJBOP-RCCFBDPRSA-N 1 2 356.426 2.965 20 5 FFBDLO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910784649 982050788 /nfs/dbraw/zinc/05/07/88/982050788.db2.gz RVZCNOJJECLDNI-UHFFFAOYSA-N 1 2 355.369 2.834 20 5 FFBDLO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910784649 982050792 /nfs/dbraw/zinc/05/07/92/982050792.db2.gz RVZCNOJJECLDNI-UHFFFAOYSA-N 1 2 355.369 2.834 20 5 FFBDLO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000915284252 988376715 /nfs/dbraw/zinc/37/67/15/988376715.db2.gz QDHXBTADFZCBBJ-UHFFFAOYSA-N 1 2 362.349 2.769 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000194705228 990471386 /nfs/dbraw/zinc/47/13/86/990471386.db2.gz VIAAQWFAZZWFPX-HNNXBMFYSA-N 1 2 366.381 2.871 20 5 FFBDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000920767001 990917298 /nfs/dbraw/zinc/91/72/98/990917298.db2.gz CZZNBPIVJBVZKT-CQSZACIVSA-N 1 2 356.386 2.512 20 5 FFBDLO COc1ccccc1[C@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000879630246 1015616932 /nfs/dbraw/zinc/61/69/32/1015616932.db2.gz HKAHWSFXOJLHSE-IEBWSBKVSA-N 1 2 358.394 2.710 20 5 FFBDLO COc1ccccc1[C@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000879630246 1015616936 /nfs/dbraw/zinc/61/69/36/1015616936.db2.gz HKAHWSFXOJLHSE-IEBWSBKVSA-N 1 2 358.394 2.710 20 5 FFBDLO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)c2c(c1)COCO2 ZINC000880190690 1015778107 /nfs/dbraw/zinc/77/81/07/1015778107.db2.gz HXYRMIXFKAXSMO-OALUTQOASA-N 1 2 367.405 2.924 20 5 FFBDLO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)c2c(c1)COCO2 ZINC000880190690 1015778113 /nfs/dbraw/zinc/77/81/13/1015778113.db2.gz HXYRMIXFKAXSMO-OALUTQOASA-N 1 2 367.405 2.924 20 5 FFBDLO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccccc1[N+](=O)[O-] ZINC000813171656 995633791 /nfs/dbraw/zinc/63/37/91/995633791.db2.gz PHHGKIMJNMYAMZ-HNNXBMFYSA-N 1 2 371.349 2.934 20 5 FFBDLO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccccc1[N+](=O)[O-] ZINC000813171656 995633793 /nfs/dbraw/zinc/63/37/93/995633793.db2.gz PHHGKIMJNMYAMZ-HNNXBMFYSA-N 1 2 371.349 2.934 20 5 FFBDLO O=C1N(C[NH+]2CCC3(CC3(F)F)CC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000844729833 998129288 /nfs/dbraw/zinc/12/92/88/998129288.db2.gz UXZJGNUJMADFHG-UHFFFAOYSA-N 1 2 366.368 2.916 20 5 FFBDLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000731670497 998134104 /nfs/dbraw/zinc/13/41/04/998134104.db2.gz WSKCOXIYLGPYDT-AWEZNQCLSA-N 1 2 365.430 2.915 20 5 FFBDLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000731670497 998134107 /nfs/dbraw/zinc/13/41/07/998134107.db2.gz WSKCOXIYLGPYDT-AWEZNQCLSA-N 1 2 365.430 2.915 20 5 FFBDLO C[C@H](CC(=O)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)n1cc[nH+]c1 ZINC000845524249 998576447 /nfs/dbraw/zinc/57/64/47/998576447.db2.gz QXBSBAXMWRNNIG-TZMCWYRMSA-N 1 2 362.361 2.704 20 5 FFBDLO O=C(OCc1cnn2c1CCCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000845890713 998682904 /nfs/dbraw/zinc/68/29/04/998682904.db2.gz YBDYCIGYQDFRGV-UHFFFAOYSA-N 1 2 367.365 2.670 20 5 FFBDLO O=C(OCc1cc(F)ccc1[N+](=O)[O-])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741183059 999712819 /nfs/dbraw/zinc/71/28/19/999712819.db2.gz QNZIZJFPTKPISP-SFHVURJKSA-N 1 2 374.368 2.678 20 5 FFBDLO O=C(OCc1cc(F)ccc1[N+](=O)[O-])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741183059 999712822 /nfs/dbraw/zinc/71/28/22/999712822.db2.gz QNZIZJFPTKPISP-SFHVURJKSA-N 1 2 374.368 2.678 20 5 FFBDLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1cc([N+](=O)[O-])ccc1F ZINC000743833294 999833385 /nfs/dbraw/zinc/83/33/85/999833385.db2.gz REOKBZZYSYRIDS-UHFFFAOYSA-N 1 2 359.357 2.818 20 5 FFBDLO CC(C)(C)n1ncc2c1nc[nH+]c2NCCOc1ccc([N+](=O)[O-])cc1 ZINC000766407348 999990764 /nfs/dbraw/zinc/99/07/64/999990764.db2.gz KETAZIFUETZMMD-UHFFFAOYSA-N 1 2 356.386 2.980 20 5 FFBDLO C[C@@H](OC(C)(C)C)[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC001168958531 1000012852 /nfs/dbraw/zinc/01/28/52/1000012852.db2.gz OBJVGUZQLHGQLI-KBXIAJHMSA-N 1 2 358.479 2.935 20 5 FFBDLO CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cn1cc([N+](=O)[O-])cn1 ZINC000769627064 1000553653 /nfs/dbraw/zinc/55/36/53/1000553653.db2.gz BQTZKJHCXQSSMF-AGUYFDCRSA-N 1 2 365.434 2.659 20 5 FFBDLO CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cn1cc([N+](=O)[O-])cn1 ZINC000769627064 1000553658 /nfs/dbraw/zinc/55/36/58/1000553658.db2.gz BQTZKJHCXQSSMF-AGUYFDCRSA-N 1 2 365.434 2.659 20 5 FFBDLO CCOC(=O)c1cc(C(=O)OCc2cccc3[nH+]ccn32)cc([N+](=O)[O-])c1 ZINC000770927843 1000957307 /nfs/dbraw/zinc/95/73/07/1000957307.db2.gz VNOJDLKGKQRERP-UHFFFAOYSA-N 1 2 369.333 2.776 20 5 FFBDLO COc1c(O)ccc(C[NH2+][C@@H](c2ccccc2F)[C@H](C)O)c1[N+](=O)[O-] ZINC001182703115 1002019283 /nfs/dbraw/zinc/01/92/83/1002019283.db2.gz GXEAJEYESDCXDG-ZUZCIYMTSA-N 1 2 350.346 2.660 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)c([N+](=O)[O-])c1 ZINC000774905279 1003007123 /nfs/dbraw/zinc/00/71/23/1003007123.db2.gz ZDQMAFXSIBWLFI-UHFFFAOYSA-N 1 2 353.338 2.979 20 5 FFBDLO COc1ccc(C[C@H](C)[N@@H+]2CCn3c(nnc3C(C)C)C2)c([N+](=O)[O-])c1 ZINC001170348215 1003133459 /nfs/dbraw/zinc/13/34/59/1003133459.db2.gz VSZKXZATFVRVIZ-ZDUSSCGKSA-N 1 2 359.430 2.765 20 5 FFBDLO COc1ccc(C[C@H](C)[N@H+]2CCn3c(nnc3C(C)C)C2)c([N+](=O)[O-])c1 ZINC001170348215 1003133465 /nfs/dbraw/zinc/13/34/65/1003133465.db2.gz VSZKXZATFVRVIZ-ZDUSSCGKSA-N 1 2 359.430 2.765 20 5 FFBDLO O=C(N[C@@H]1COCc2ccccc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001130042947 1003924655 /nfs/dbraw/zinc/92/46/55/1003924655.db2.gz JEYATEMNAFZXLZ-MRXNPFEDSA-N 1 2 364.361 2.782 20 5 FFBDLO COc1nscc1C[N@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC001198122761 1004504638 /nfs/dbraw/zinc/50/46/38/1004504638.db2.gz WPSYPFWZTTXVOF-UHFFFAOYSA-N 1 2 353.400 2.579 20 5 FFBDLO COc1nscc1C[N@@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC001198122761 1004504643 /nfs/dbraw/zinc/50/46/43/1004504643.db2.gz WPSYPFWZTTXVOF-UHFFFAOYSA-N 1 2 353.400 2.579 20 5 FFBDLO CC[C@@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCO[C@@H](CC)C1 ZINC001137531560 1004581535 /nfs/dbraw/zinc/58/15/35/1004581535.db2.gz VSMHRIUYIKLTAY-HOCLYGCPSA-N 1 2 369.849 2.754 20 5 FFBDLO CC[C@@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCO[C@@H](CC)C1 ZINC001137531560 1004581540 /nfs/dbraw/zinc/58/15/40/1004581540.db2.gz VSMHRIUYIKLTAY-HOCLYGCPSA-N 1 2 369.849 2.754 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCCC[C@]23CCOC3)c([N+](=O)[O-])c1 ZINC001198767314 1004734238 /nfs/dbraw/zinc/73/42/38/1004734238.db2.gz APOFJWBLWPXLAF-GOSISDBHSA-N 1 2 363.414 2.577 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+]2CCCC[C@]23CCOC3)c([N+](=O)[O-])c1 ZINC001198767314 1004734239 /nfs/dbraw/zinc/73/42/39/1004734239.db2.gz APOFJWBLWPXLAF-GOSISDBHSA-N 1 2 363.414 2.577 20 5 FFBDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000106856612 1005364516 /nfs/dbraw/zinc/36/45/16/1005364516.db2.gz KDZAUHRHKDQGHR-CYBMUJFWSA-N 1 2 361.402 2.501 20 5 FFBDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000106856612 1005364518 /nfs/dbraw/zinc/36/45/18/1005364518.db2.gz KDZAUHRHKDQGHR-CYBMUJFWSA-N 1 2 361.402 2.501 20 5 FFBDLO Cc1noc(C[N@@H+]2CCCC[C@H]2COC(=O)NC2CCCC2)c1[N+](=O)[O-] ZINC000852055673 1005937520 /nfs/dbraw/zinc/93/75/20/1005937520.db2.gz VVDDHPYHJBRRGK-AWEZNQCLSA-N 1 2 366.418 2.915 20 5 FFBDLO Cc1noc(C[N@H+]2CCCC[C@H]2COC(=O)NC2CCCC2)c1[N+](=O)[O-] ZINC000852055673 1005937522 /nfs/dbraw/zinc/93/75/22/1005937522.db2.gz VVDDHPYHJBRRGK-AWEZNQCLSA-N 1 2 366.418 2.915 20 5 FFBDLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582822 1005954532 /nfs/dbraw/zinc/95/45/32/1005954532.db2.gz VURHPTPUEOYMHZ-CZUORRHYSA-N 1 2 365.430 2.569 20 5 FFBDLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582822 1005954534 /nfs/dbraw/zinc/95/45/34/1005954534.db2.gz VURHPTPUEOYMHZ-CZUORRHYSA-N 1 2 365.430 2.569 20 5 FFBDLO CC(C)c1cncnc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001134080147 1006139585 /nfs/dbraw/zinc/13/95/85/1006139585.db2.gz RYULTLZEQOUBAR-UHFFFAOYSA-N 1 2 352.354 2.946 20 5 FFBDLO CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@@H]1CCCOC1 ZINC000882463853 1006407076 /nfs/dbraw/zinc/40/70/76/1006407076.db2.gz MEEMULGWXVGBMF-CABCVRRESA-N 1 2 358.398 2.716 20 5 FFBDLO O=C(OCc1cccc(C[NH+]2CCOCC2)c1)c1cc(F)ccc1[N+](=O)[O-] ZINC000817179881 1007459489 /nfs/dbraw/zinc/45/94/89/1007459489.db2.gz VKFCLCCKGXXMRL-UHFFFAOYSA-N 1 2 374.368 2.923 20 5 FFBDLO O=Cc1ccc(OCc2cccc(C[NH+]3CCOCC3)c2)c([N+](=O)[O-])c1 ZINC000817578561 1007654697 /nfs/dbraw/zinc/65/46/97/1007654697.db2.gz WMKGRJDRLLZIRL-UHFFFAOYSA-N 1 2 356.378 2.819 20 5 FFBDLO O=[N+]([O-])c1ccc([C@H](O)CNc2ccc([NH+]3CCC(O)CC3)cc2)cc1 ZINC000819408159 1008119930 /nfs/dbraw/zinc/11/99/30/1008119930.db2.gz MPUNKHSBIHGVOS-LJQANCHMSA-N 1 2 357.410 2.701 20 5 FFBDLO O=[N+]([O-])c1cccc([C@H](O)CNc2ccc([NH+]3CCC(O)CC3)cc2)c1 ZINC000819408828 1008119981 /nfs/dbraw/zinc/11/99/81/1008119981.db2.gz SSCWZQKKJPSUCH-LJQANCHMSA-N 1 2 357.410 2.701 20 5 FFBDLO C[C@H]1CN(C)c2ccccc2C[N@@H+]1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000857558685 1008159788 /nfs/dbraw/zinc/15/97/88/1008159788.db2.gz KLLXCUOZYNIXKL-ZDUSSCGKSA-N 1 2 368.393 2.801 20 5 FFBDLO C[C@H]1CN(C)c2ccccc2C[N@H+]1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000857558685 1008159793 /nfs/dbraw/zinc/15/97/93/1008159793.db2.gz KLLXCUOZYNIXKL-ZDUSSCGKSA-N 1 2 368.393 2.801 20 5 FFBDLO Nc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000819905026 1008248770 /nfs/dbraw/zinc/24/87/70/1008248770.db2.gz IFYIVJSYDYZTLZ-INIZCTEOSA-N 1 2 358.373 2.919 20 5 FFBDLO Nc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000819905026 1008248773 /nfs/dbraw/zinc/24/87/73/1008248773.db2.gz IFYIVJSYDYZTLZ-INIZCTEOSA-N 1 2 358.373 2.919 20 5 FFBDLO COc1c(O)ccc(C[NH+]2CCN(c3ccccc3C)CC2)c1[N+](=O)[O-] ZINC001179952852 1009502438 /nfs/dbraw/zinc/50/24/38/1009502438.db2.gz SMJWQJXEEVQTQE-UHFFFAOYSA-N 1 2 357.410 2.940 20 5 FFBDLO C[C@@H]1C[N@H+](Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)[C@@H]2CCCC[C@H]21 ZINC000794639662 1010438992 /nfs/dbraw/zinc/43/89/92/1010438992.db2.gz NFHSVDRIUMBPKD-VNHYZAJKSA-N 1 2 358.398 2.880 20 5 FFBDLO C[C@@H]1C[N@@H+](Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)[C@@H]2CCCC[C@H]21 ZINC000794639662 1010439001 /nfs/dbraw/zinc/43/90/01/1010439001.db2.gz NFHSVDRIUMBPKD-VNHYZAJKSA-N 1 2 358.398 2.880 20 5 FFBDLO O=c1oc(-c2ccccc2[N+](=O)[O-])nn1C[N@@H+]1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000794624643 1010446299 /nfs/dbraw/zinc/44/62/99/1010446299.db2.gz YJVNGGLRDIYGID-DGKWVBSXSA-N 1 2 370.409 2.880 20 5 FFBDLO O=c1oc(-c2ccccc2[N+](=O)[O-])nn1C[N@H+]1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000794624643 1010446304 /nfs/dbraw/zinc/44/63/04/1010446304.db2.gz YJVNGGLRDIYGID-DGKWVBSXSA-N 1 2 370.409 2.880 20 5 FFBDLO C[C@@H]1C[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C[C@]2(CCCOC2)O1 ZINC000794901510 1010938008 /nfs/dbraw/zinc/93/80/08/1010938008.db2.gz NSBABIHOHMZGSP-BEFAXECRSA-N 1 2 372.425 2.686 20 5 FFBDLO C[C@@H]1C[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C[C@]2(CCCOC2)O1 ZINC000794901510 1010938014 /nfs/dbraw/zinc/93/80/14/1010938014.db2.gz NSBABIHOHMZGSP-BEFAXECRSA-N 1 2 372.425 2.686 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1Oc3ccc(CCO)cc3O1)CC2 ZINC001172907174 1012077285 /nfs/dbraw/zinc/07/72/85/1012077285.db2.gz QCBJNTHBOCJBSG-OXQOHEQNSA-N 1 2 370.405 2.722 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1Oc3ccc(CCO)cc3O1)CC2 ZINC001172907172 1012078328 /nfs/dbraw/zinc/07/83/28/1012078328.db2.gz QCBJNTHBOCJBSG-JXFKEZNVSA-N 1 2 370.405 2.722 20 5 FFBDLO COc1cccc([C@H]2CN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)CC[NH2+]2)c1 ZINC000870147885 1012201779 /nfs/dbraw/zinc/20/17/79/1012201779.db2.gz SUBNDSFZUIJHTL-JNLAIUADSA-N 1 2 367.405 2.790 20 5 FFBDLO COc1cccc([C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CC[NH2+]2)c1 ZINC000870150217 1012206457 /nfs/dbraw/zinc/20/64/57/1012206457.db2.gz RUTMUHPZBYBFTB-KRWDZBQOSA-N 1 2 359.357 2.529 20 5 FFBDLO COc1cccc([C@@H]2CN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC[NH2+]2)c1 ZINC000870151187 1012209640 /nfs/dbraw/zinc/20/96/40/1012209640.db2.gz WPABLZOXNKOEMO-IBGZPJMESA-N 1 2 369.421 2.709 20 5 FFBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCN(Cc2ccccc2)C(=O)C1 ZINC001173234649 1012366056 /nfs/dbraw/zinc/36/60/56/1012366056.db2.gz TVENNRGYQZWWAB-MRXNPFEDSA-N 1 2 353.422 2.870 20 5 FFBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCN(Cc2ccccc2)C(=O)C1 ZINC001173234649 1012366073 /nfs/dbraw/zinc/36/60/73/1012366073.db2.gz TVENNRGYQZWWAB-MRXNPFEDSA-N 1 2 353.422 2.870 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000927095371 1018360246 /nfs/dbraw/zinc/36/02/46/1018360246.db2.gz RDKYNFDGVQETRD-UHFFFAOYSA-N 1 2 356.382 2.715 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CCC[C@@H](C(F)(F)F)O3)CC2)cn1 ZINC000929171964 1019303842 /nfs/dbraw/zinc/30/38/42/1019303842.db2.gz RRMPOMDNPUMAGN-KBPBESRZSA-N 1 2 374.363 2.612 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CCC[C@@H](C(F)(F)F)O3)CC2)cn1 ZINC000929171965 1019303954 /nfs/dbraw/zinc/30/39/54/1019303954.db2.gz RRMPOMDNPUMAGN-KGLIPLIRSA-N 1 2 374.363 2.612 20 5 FFBDLO O=[N+]([O-])c1cc(O[C@@H]2CC[NH2+]CC2(F)F)c(F)cc1Br ZINC001218005792 1032946749 /nfs/dbraw/zinc/94/67/49/1032946749.db2.gz HWNVDMTXGQWBSP-SNVBAGLBSA-N 1 2 355.110 2.872 20 5 FFBDLO O=c1c2cc(O[C@H]3CC[NH2+]CC3(F)F)c(O)cc2oc2cccc(O)c12 ZINC001218006569 1032946849 /nfs/dbraw/zinc/94/68/49/1032946849.db2.gz LUOJLLLMXLMFEE-HNNXBMFYSA-N 1 2 363.316 2.733 20 5 FFBDLO O=[N+]([O-])c1cc(Br)c(F)cc1O[C@H]1CC[NH2+]CC1(F)F ZINC001218006650 1032947666 /nfs/dbraw/zinc/94/76/66/1032947666.db2.gz NDBCLSXYQUOUKU-JTQLQIEISA-N 1 2 355.110 2.872 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000749665591 1021018596 /nfs/dbraw/zinc/01/85/96/1021018596.db2.gz NAJGFHRBZFYSOO-QZTJIDSGSA-N 1 2 370.384 2.880 20 5 FFBDLO CCCSc1nc(O[C@@H]2CCC[C@@]23CC[NH2+]C3)c([N+](=O)[O-])c(=O)[nH]1 ZINC001218091460 1032990315 /nfs/dbraw/zinc/99/03/15/1032990315.db2.gz KHOVGIBIRUIRNU-BMIGLBTASA-N 1 2 354.432 2.504 20 5 FFBDLO COc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc1[N+](=O)[O-] ZINC000778931837 1022546978 /nfs/dbraw/zinc/54/69/78/1022546978.db2.gz FWJPMDBGYKEDNF-UHFFFAOYSA-N 1 2 372.381 2.834 20 5 FFBDLO CN(C)c1cc(COC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000755900023 1023648302 /nfs/dbraw/zinc/64/83/02/1023648302.db2.gz XEIURVZMKLLASS-UHFFFAOYSA-N 1 2 358.398 2.991 20 5 FFBDLO CN(C)c1cc(COC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc[nH+]1 ZINC000755912082 1023649658 /nfs/dbraw/zinc/64/96/58/1023649658.db2.gz CYPXRZUVXKQSCC-UHFFFAOYSA-N 1 2 354.366 2.754 20 5 FFBDLO Cn1c[nH+]cc1CCOC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000837313810 1025719313 /nfs/dbraw/zinc/71/93/13/1025719313.db2.gz LIELRFRVCZJZJK-UHFFFAOYSA-N 1 2 372.303 2.545 20 5 FFBDLO O=[N+]([O-])c1ccc2ncc(N3CC[C@@H]([NH+]4CCCC4)C(F)(F)C3)nc2c1 ZINC001158626141 1027078248 /nfs/dbraw/zinc/07/82/48/1027078248.db2.gz YUBNXTZLNIGICD-OAHLLOKOSA-N 1 2 363.368 2.848 20 5 FFBDLO COC(=O)[C@@H]([NH3+])CC(=O)N(C)Cc1c2ccccc2cc2ccccc21 ZINC001160740241 1027847199 /nfs/dbraw/zinc/84/71/99/1027847199.db2.gz ZMPOFBPPQFNRQH-IBGZPJMESA-N 1 2 350.418 2.842 20 5 FFBDLO Cc1nc(Cl)nc(N2CC[N@@H+]3CCc4ccccc4[C@@H]3C2)c1[N+](=O)[O-] ZINC001155087137 1028571899 /nfs/dbraw/zinc/57/18/99/1028571899.db2.gz UMCKDXRXVVMRJZ-AWEZNQCLSA-N 1 2 359.817 2.766 20 5 FFBDLO Cc1nc(Cl)nc(N2CC[N@H+]3CCc4ccccc4[C@@H]3C2)c1[N+](=O)[O-] ZINC001155087137 1028571906 /nfs/dbraw/zinc/57/19/06/1028571906.db2.gz UMCKDXRXVVMRJZ-AWEZNQCLSA-N 1 2 359.817 2.766 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)c1 ZINC001163715786 1029037134 /nfs/dbraw/zinc/03/71/34/1029037134.db2.gz QJLVSLRWCJMRAP-VQTJNVASSA-N 1 2 353.422 2.993 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)c1 ZINC001163715786 1029037140 /nfs/dbraw/zinc/03/71/40/1029037140.db2.gz QJLVSLRWCJMRAP-VQTJNVASSA-N 1 2 353.422 2.993 20 5 FFBDLO COc1ccc(C(N)=[NH+]OCCOc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000782317059 1029653723 /nfs/dbraw/zinc/65/37/23/1029653723.db2.gz ILIRACMQIOGTMH-UHFFFAOYSA-N 1 2 361.354 2.538 20 5 FFBDLO COc1ccc(NC(=O)NCc2[nH+]cc(C)c(OC)c2C)cc1[N+](=O)[O-] ZINC000782626242 1029767106 /nfs/dbraw/zinc/76/71/06/1029767106.db2.gz OCBAKJRKSKTIFN-UHFFFAOYSA-N 1 2 360.370 2.946 20 5 FFBDLO C[NH+](C)C=Cc1cc(N2C[C@@H]3C(=O)c4ccccc4[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001165280513 1029928756 /nfs/dbraw/zinc/92/87/56/1029928756.db2.gz PSXREEXFZYLJGF-FNQZAJIHSA-N 1 2 364.405 2.938 20 5 FFBDLO COc1ccc(C(N)=[NH+]OCc2ccc([N+](=O)[O-])cc2OC)cc1OC ZINC000797422390 1031107288 /nfs/dbraw/zinc/10/72/88/1031107288.db2.gz WVQHWEHZAYDGAJ-UHFFFAOYSA-N 1 2 361.354 2.667 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000799762543 1031872404 /nfs/dbraw/zinc/87/24/04/1031872404.db2.gz DTSACAKPMLOONZ-UHFFFAOYSA-N 1 2 373.390 2.916 20 5 FFBDLO COC(=O)c1cc(Br)c(O[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001226268385 1034603037 /nfs/dbraw/zinc/60/30/37/1034603037.db2.gz RFPOZHCUSMOFMK-JTQLQIEISA-N 1 2 373.203 2.617 20 5 FFBDLO COC(=O)c1cc(Br)c(O[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001226268385 1034603042 /nfs/dbraw/zinc/60/30/42/1034603042.db2.gz RFPOZHCUSMOFMK-JTQLQIEISA-N 1 2 373.203 2.617 20 5 FFBDLO Cc1ccc(O[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])n1 ZINC001227221827 1034974168 /nfs/dbraw/zinc/97/41/68/1034974168.db2.gz DLQLMDXWZSZFMR-CRAIPNDOSA-N 1 2 357.410 2.967 20 5 FFBDLO Cc1ccc(O[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])n1 ZINC001227221827 1034974176 /nfs/dbraw/zinc/97/41/76/1034974176.db2.gz DLQLMDXWZSZFMR-CRAIPNDOSA-N 1 2 357.410 2.967 20 5 FFBDLO C[N@@H+]1[C@@H]2C[C@H](Oc3ccc4c(c3)oc3cc(O)ccc3c4=O)[C@H]1CC(=O)C2 ZINC001229516199 1036716403 /nfs/dbraw/zinc/71/64/03/1036716403.db2.gz ILPMFEAGUCIYOU-DHFGEULSSA-N 1 2 365.385 2.835 20 5 FFBDLO C[N@H+]1[C@@H]2C[C@H](Oc3ccc4c(c3)oc3cc(O)ccc3c4=O)[C@H]1CC(=O)C2 ZINC001229516199 1036716423 /nfs/dbraw/zinc/71/64/23/1036716423.db2.gz ILPMFEAGUCIYOU-DHFGEULSSA-N 1 2 365.385 2.835 20 5 FFBDLO O=c1oc2cc(O)ccc2c2cc(O[C@H]3CCc4[nH+]ccn4C3)c(O)cc12 ZINC001229806404 1036910837 /nfs/dbraw/zinc/91/08/37/1036910837.db2.gz TUXGQKGMCDOSHA-LBPRGKRZSA-N 1 2 364.357 2.948 20 5 FFBDLO COC(=O)[C@@H]1C[C@@H](Oc2cccc(-c3cccc([N+](=O)[O-])c3)c2)C[N@@H+]1C ZINC001230941284 1037415092 /nfs/dbraw/zinc/41/50/92/1037415092.db2.gz PBSOKDKSTBSOOB-MSOLQXFVSA-N 1 2 356.378 2.886 20 5 FFBDLO COC(=O)[C@@H]1C[C@@H](Oc2cccc(-c3cccc([N+](=O)[O-])c3)c2)C[N@H+]1C ZINC001230941284 1037415104 /nfs/dbraw/zinc/41/51/04/1037415104.db2.gz PBSOKDKSTBSOOB-MSOLQXFVSA-N 1 2 356.378 2.886 20 5 FFBDLO C[C@H](C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC001255840560 1038198657 /nfs/dbraw/zinc/19/86/57/1038198657.db2.gz VSPCLMGKSRMIQC-LSDHHAIUSA-N 1 2 356.426 2.913 20 5 FFBDLO Cc1cccc(C(=O)N2CC[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)c1 ZINC001254599124 1040829298 /nfs/dbraw/zinc/82/92/98/1040829298.db2.gz KYCIOACNZLFRIC-HXUWFJFHSA-N 1 2 365.433 2.828 20 5 FFBDLO CS(=O)(=O)Nc1cccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001319822353 1045279445 /nfs/dbraw/zinc/27/94/45/1045279445.db2.gz CYBZPUVVTZJVOB-UHFFFAOYSA-N 1 2 361.423 2.525 20 5 FFBDLO CS(=O)(=O)Nc1cccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001319822353 1045279453 /nfs/dbraw/zinc/27/94/53/1045279453.db2.gz CYBZPUVVTZJVOB-UHFFFAOYSA-N 1 2 361.423 2.525 20 5 FFBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC001287945025 1047377516 /nfs/dbraw/zinc/37/75/16/1047377516.db2.gz AMOSDRMWHLMFCD-GOSISDBHSA-N 1 2 354.410 2.577 20 5 FFBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC001287945025 1047377526 /nfs/dbraw/zinc/37/75/26/1047377526.db2.gz AMOSDRMWHLMFCD-GOSISDBHSA-N 1 2 354.410 2.577 20 5 FFBDLO CCOC(=O)c1cc([N+](=O)[O-])c(N[C@@H](CC)C[NH+]2CCOCC2)cc1C ZINC001307213388 1050077250 /nfs/dbraw/zinc/07/72/50/1050077250.db2.gz HVTGOAFRASEBLJ-AWEZNQCLSA-N 1 2 365.430 2.603 20 5 FFBDLO Nc1[nH+]ccc2c1CN(C(=O)CCc1c(Cl)cccc1[N+](=O)[O-])CC2 ZINC001302092904 1051040738 /nfs/dbraw/zinc/04/07/38/1051040738.db2.gz OLRYIZRLLVONJT-UHFFFAOYSA-N 1 2 360.801 2.743 20 5 FFBDLO Cc1cccnc1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001305320153 1051862934 /nfs/dbraw/zinc/86/29/34/1051862934.db2.gz SIVHWVWBDHRILM-CYBMUJFWSA-N 1 2 351.366 2.975 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)c1 ZINC001336070124 1053747481 /nfs/dbraw/zinc/74/74/81/1053747481.db2.gz LSMPSQJUQDRCCQ-INIZCTEOSA-N 1 2 359.357 2.529 20 5 FFBDLO Cn1c[nH+]cc1C1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC001351116320 1056094533 /nfs/dbraw/zinc/09/45/33/1056094533.db2.gz SGGQZNJXTRQJNL-UHFFFAOYSA-N 1 2 371.441 2.927 20 5 FFBDLO O=C(Cc1cn2c([nH+]1)CCCC2)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001455300282 1059750242 /nfs/dbraw/zinc/75/02/42/1059750242.db2.gz AQODJHXAXSGJSY-UHFFFAOYSA-N 1 2 366.381 2.699 20 5 FFBDLO Cc1cnc(OC2CC[NH+](Cn3ncc4cc([N+](=O)[O-])ccc43)CC2)nc1 ZINC000848494472 1060158674 /nfs/dbraw/zinc/15/86/74/1060158674.db2.gz QMURAPOMQANKPZ-UHFFFAOYSA-N 1 2 368.397 2.544 20 5 FFBDLO C[C@H](O)CNc1[nH+]c2ccccc2n1CCOc1cccc([N+](=O)[O-])c1 ZINC000542054684 1060939858 /nfs/dbraw/zinc/93/98/58/1060939858.db2.gz SLNHNIOCRMUYDS-ZDUSSCGKSA-N 1 2 356.382 2.816 20 5 FFBDLO Cc1cc(CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc(C)[nH+]1 ZINC001461006764 1061184647 /nfs/dbraw/zinc/18/46/47/1061184647.db2.gz GSLDTRKVTFIMHH-UHFFFAOYSA-N 1 2 365.393 2.937 20 5 FFBDLO C[S@@](=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c1 ZINC001360758927 1062017638 /nfs/dbraw/zinc/01/76/38/1062017638.db2.gz IRHZHMYFLIYFCX-AREMUKBSSA-N 1 2 370.390 2.770 20 5 FFBDLO COc1ccc(F)c(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c1 ZINC001529606342 1062354197 /nfs/dbraw/zinc/35/41/97/1062354197.db2.gz RMSOLLITQRNXFF-UHFFFAOYSA-N 1 2 370.340 2.858 20 5 FFBDLO CCOCCCN(c1cc[nH+]cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001464171695 1062464309 /nfs/dbraw/zinc/46/43/09/1062464309.db2.gz IAKIFWCWHULIAL-UHFFFAOYSA-N 1 2 365.411 2.612 20 5 FFBDLO O=C(OCC1CN(c2cccc[nH+]2)C1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001525874728 1063445297 /nfs/dbraw/zinc/44/52/97/1063445297.db2.gz XWDAXAMGTZQMLY-IAGOWNOFSA-N 1 2 353.378 2.773 20 5 FFBDLO Cc1c[nH]c(C2(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)CCC2)n1 ZINC001471473291 1064687752 /nfs/dbraw/zinc/68/77/52/1064687752.db2.gz CBUOSLFONWLYHF-UHFFFAOYSA-N 1 2 366.381 2.621 20 5 FFBDLO C[C@@H](O)[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC001557677302 1075872912 /nfs/dbraw/zinc/87/29/12/1075872912.db2.gz OISJLDKLVLQHOU-FZKQIMNGSA-N 1 2 366.377 2.632 20 5 FFBDLO C[Si](C)(C)c1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1 ZINC001559889126 1076199781 /nfs/dbraw/zinc/19/97/81/1076199781.db2.gz GQCAELGPXBPDJS-UHFFFAOYSA-N 1 2 370.529 2.857 20 5 FFBDLO CCOc1cc(C[NH2+][C@@H](c2nccn2C)C(C)(C)CO)ccc1[N+](=O)[O-] ZINC001559945678 1076204735 /nfs/dbraw/zinc/20/47/35/1076204735.db2.gz AQYKMTVGUPDVEC-INIZCTEOSA-N 1 2 362.430 2.576 20 5 FFBDLO CC(C)Oc1cc(C(=O)NCc2ccn3cc[nH+]c3c2)ccc1[N+](=O)[O-] ZINC001566368032 1076952068 /nfs/dbraw/zinc/95/20/68/1076952068.db2.gz BWMPKOFGCYFJOK-UHFFFAOYSA-N 1 2 354.366 2.960 20 5 FFBDLO CC(C)([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cccc(-c2nn[nH]n2)c1 ZINC001589321459 1080482099 /nfs/dbraw/zinc/48/20/99/1080482099.db2.gz CSOOJAZBFXCKEP-UHFFFAOYSA-N 1 2 354.370 2.505 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000007039289 249307519 /nfs/dbraw/zinc/30/75/19/249307519.db2.gz SICDEMYECOUWDY-MRXNPFEDSA-N 1 2 358.398 2.718 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccn1C ZINC000007039289 249307520 /nfs/dbraw/zinc/30/75/20/249307520.db2.gz SICDEMYECOUWDY-MRXNPFEDSA-N 1 2 358.398 2.718 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000093244012 250025833 /nfs/dbraw/zinc/02/58/33/250025833.db2.gz FCTMXWXUNDKKND-HNNXBMFYSA-N 1 2 354.410 2.924 20 5 FFBDLO COCCOC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000093339741 250029597 /nfs/dbraw/zinc/02/95/97/250029597.db2.gz BFPGIGDLSCUJBI-UHFFFAOYSA-N 1 2 360.357 2.824 20 5 FFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCCc1cn2c([nH+]1)CCCC2 ZINC000117752667 250360016 /nfs/dbraw/zinc/36/00/16/250360016.db2.gz SGGLKFSOOKFIQE-UHFFFAOYSA-N 1 2 362.817 2.682 20 5 FFBDLO Cc1ccc(NC(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c(C)[nH+]1 ZINC000129952825 250871117 /nfs/dbraw/zinc/87/11/17/250871117.db2.gz XQFMTPQGXJGBBW-UHFFFAOYSA-N 1 2 368.393 2.736 20 5 FFBDLO CN(CC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000272575284 252072940 /nfs/dbraw/zinc/07/29/40/252072940.db2.gz XAFHLQWMSXLWPA-CQSZACIVSA-N 1 2 371.363 2.501 20 5 FFBDLO O=C(Nc1nnc(C2CC2)s1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000033245061 208075974 /nfs/dbraw/zinc/07/59/74/208075974.db2.gz HEFPYSPDVGUVNX-UHFFFAOYSA-N 1 2 356.367 2.762 20 5 FFBDLO COC(=O)[C@H]1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1C ZINC000276911748 256141677 /nfs/dbraw/zinc/14/16/77/256141677.db2.gz NQHUUQIZPCZYSY-LRDDRELGSA-N 1 2 370.409 2.996 20 5 FFBDLO O=[N+]([O-])c1cc2ccccc2nc1NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000276572030 256111081 /nfs/dbraw/zinc/11/10/81/256111081.db2.gz HLXKHUWLDNUFLC-UHFFFAOYSA-N 1 2 365.393 2.987 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278674532 256336747 /nfs/dbraw/zinc/33/67/47/256336747.db2.gz IJCZENKJXWMJCV-JTQLQIEISA-N 1 2 361.320 2.816 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278674532 256336748 /nfs/dbraw/zinc/33/67/48/256336748.db2.gz IJCZENKJXWMJCV-JTQLQIEISA-N 1 2 361.320 2.816 20 5 FFBDLO Cc1c(NC(=O)CC[N@@H+]2CCOC[C@H]2CC(F)F)cccc1[N+](=O)[O-] ZINC000286484598 257039202 /nfs/dbraw/zinc/03/92/02/257039202.db2.gz OPRGZXLAPONFOB-GFCCVEGCSA-N 1 2 357.357 2.588 20 5 FFBDLO Cc1c(NC(=O)CC[N@H+]2CCOC[C@H]2CC(F)F)cccc1[N+](=O)[O-] ZINC000286484598 257039203 /nfs/dbraw/zinc/03/92/03/257039203.db2.gz OPRGZXLAPONFOB-GFCCVEGCSA-N 1 2 357.357 2.588 20 5 FFBDLO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCCCNc1cccc[nH+]1 ZINC000287494602 257092369 /nfs/dbraw/zinc/09/23/69/257092369.db2.gz RHAFLBKKGUZKPX-UHFFFAOYSA-N 1 2 357.414 2.676 20 5 FFBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289879866 257304246 /nfs/dbraw/zinc/30/42/46/257304246.db2.gz ZMALPYDEMOPYGY-NEPJUHHUSA-N 1 2 368.821 2.575 20 5 FFBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289879871 257304408 /nfs/dbraw/zinc/30/44/08/257304408.db2.gz ZMALPYDEMOPYGY-NWDGAFQWSA-N 1 2 368.821 2.575 20 5 FFBDLO CN(C(=O)C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000289561405 257287366 /nfs/dbraw/zinc/28/73/66/257287366.db2.gz NTYIZRYZLDSYHR-AEFFLSMTSA-N 1 2 359.426 2.591 20 5 FFBDLO CN(C(=O)C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000289561405 257287367 /nfs/dbraw/zinc/28/73/67/257287367.db2.gz NTYIZRYZLDSYHR-AEFFLSMTSA-N 1 2 359.426 2.591 20 5 FFBDLO COc1cc(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c([N+](=O)[O-])cc1OC ZINC000290839993 257360505 /nfs/dbraw/zinc/36/05/05/257360505.db2.gz IEQNFYQCLJZDQU-ZDUSSCGKSA-N 1 2 366.805 2.909 20 5 FFBDLO COc1cc(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c([N+](=O)[O-])cc1OC ZINC000290839993 257360506 /nfs/dbraw/zinc/36/05/06/257360506.db2.gz IEQNFYQCLJZDQU-ZDUSSCGKSA-N 1 2 366.805 2.909 20 5 FFBDLO Cc1nc(C)c(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)s1 ZINC000292980231 257525735 /nfs/dbraw/zinc/52/57/35/257525735.db2.gz BHBWGAPLTGPKOG-UHFFFAOYSA-N 1 2 360.439 2.626 20 5 FFBDLO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000311797462 258115358 /nfs/dbraw/zinc/11/53/58/258115358.db2.gz MWKIZOWHVCMISY-OAHLLOKOSA-N 1 2 355.394 2.552 20 5 FFBDLO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000311797462 258115359 /nfs/dbraw/zinc/11/53/59/258115359.db2.gz MWKIZOWHVCMISY-OAHLLOKOSA-N 1 2 355.394 2.552 20 5 FFBDLO COc1cc(F)c([N+](=O)[O-])c(N2CC[NH+](Cc3c(C)noc3C)CC2)c1 ZINC000301445199 258049735 /nfs/dbraw/zinc/04/97/35/258049735.db2.gz PGFNYJWFENPQLH-UHFFFAOYSA-N 1 2 364.377 2.670 20 5 FFBDLO C[C@@H](Nc1cc(Br)ccc1[N+](=O)[O-])[C@@H](C)[NH+]1CCOCC1 ZINC000301652836 258061322 /nfs/dbraw/zinc/06/13/22/258061322.db2.gz GVMIKTSROBRKNB-GHMZBOCLSA-N 1 2 358.236 2.878 20 5 FFBDLO O=[N+]([O-])c1c(N2CC[NH+](Cc3cccc(F)c3)CC2)nc2sccn21 ZINC000301701850 258063540 /nfs/dbraw/zinc/06/35/40/258063540.db2.gz GFMLCPSRVAYOSR-UHFFFAOYSA-N 1 2 361.402 2.765 20 5 FFBDLO CC1CCN(c2ccc(CNc3ccc4ncc([N+](=O)[O-])n4n3)c[nH+]2)CC1 ZINC000301864982 258071659 /nfs/dbraw/zinc/07/16/59/258071659.db2.gz BHAZVSPMWGSJGD-UHFFFAOYSA-N 1 2 367.413 2.881 20 5 FFBDLO Cc1cc(N2CCCC[C@@H]2CC(N)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301967583 258078868 /nfs/dbraw/zinc/07/88/68/258078868.db2.gz ZVIIWHOYXQSSLW-OAHLLOKOSA-N 1 2 355.398 2.595 20 5 FFBDLO Cc1c(CNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000332124663 258215135 /nfs/dbraw/zinc/21/51/35/258215135.db2.gz CTPPXNYLDPOORK-SUMWQHHRSA-N 1 2 357.414 2.892 20 5 FFBDLO CCCc1n[nH]c(C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)c1[N+](=O)[O-] ZINC000332221617 258219721 /nfs/dbraw/zinc/21/97/21/258219721.db2.gz JGVUTZFFBKXWOQ-NSHDSACASA-N 1 2 374.445 2.509 20 5 FFBDLO Cc1nc(C)n(C[C@H]2C[N@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CCO2)n1 ZINC000331733887 258198851 /nfs/dbraw/zinc/19/88/51/258198851.db2.gz RVAIQMYKLZIEMJ-SUMWQHHRSA-N 1 2 359.430 2.574 20 5 FFBDLO Cc1nc(C)n(C[C@H]2C[N@@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CCO2)n1 ZINC000331733887 258198852 /nfs/dbraw/zinc/19/88/52/258198852.db2.gz RVAIQMYKLZIEMJ-SUMWQHHRSA-N 1 2 359.430 2.574 20 5 FFBDLO COc1ccc(OCCN(C)Cc2cn3c([nH+]2)CCCC3)c([N+](=O)[O-])c1 ZINC000373003797 512128138 /nfs/dbraw/zinc/12/81/38/512128138.db2.gz NKISOKVWPFKKMI-UHFFFAOYSA-N 1 2 360.414 2.647 20 5 FFBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])CCC2 ZINC000366697889 512145455 /nfs/dbraw/zinc/14/54/55/512145455.db2.gz DKPKDWUQVGHFMJ-HNNXBMFYSA-N 1 2 357.414 2.519 20 5 FFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000053340061 506357278 /nfs/dbraw/zinc/35/72/78/506357278.db2.gz VNTGCUALBGSFRZ-INIZCTEOSA-N 1 2 369.356 2.690 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000054516052 506572700 /nfs/dbraw/zinc/57/27/00/506572700.db2.gz WJFQGMHZFCORDF-INIZCTEOSA-N 1 2 354.341 2.987 20 5 FFBDLO Cc1ccccc1N1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000007620544 506575065 /nfs/dbraw/zinc/57/50/65/506575065.db2.gz GKGLMKSBPBJVNZ-UHFFFAOYSA-N 1 2 368.437 2.972 20 5 FFBDLO Cc1c(C[NH+]2CCN(C(=O)Cc3ccccc3F)CC2)cccc1[N+](=O)[O-] ZINC000066867521 506674214 /nfs/dbraw/zinc/67/42/14/506674214.db2.gz SAXYLYZHARWVII-UHFFFAOYSA-N 1 2 371.412 2.929 20 5 FFBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000055116143 506681602 /nfs/dbraw/zinc/68/16/02/506681602.db2.gz CEJMCRPYVXSVFL-UHFFFAOYSA-N 1 2 368.393 2.838 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000067056451 506740678 /nfs/dbraw/zinc/74/06/78/506740678.db2.gz QWLIJVBZKVHQPB-UHFFFAOYSA-N 1 2 355.394 2.988 20 5 FFBDLO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000371280481 512303724 /nfs/dbraw/zinc/30/37/24/512303724.db2.gz PYBGWJZRXNKEEC-AWEZNQCLSA-N 1 2 372.428 2.552 20 5 FFBDLO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000371280481 512303729 /nfs/dbraw/zinc/30/37/29/512303729.db2.gz PYBGWJZRXNKEEC-AWEZNQCLSA-N 1 2 372.428 2.552 20 5 FFBDLO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000067536865 506915985 /nfs/dbraw/zinc/91/59/85/506915985.db2.gz WYIUCHLGZQTDDM-UHFFFAOYSA-N 1 2 360.439 2.684 20 5 FFBDLO CC[N@H+](CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000015364887 507036743 /nfs/dbraw/zinc/03/67/43/507036743.db2.gz KRAIICYIZMBLJA-UHFFFAOYSA-N 1 2 363.439 2.790 20 5 FFBDLO CC[N@@H+](CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000015364887 507036747 /nfs/dbraw/zinc/03/67/47/507036747.db2.gz KRAIICYIZMBLJA-UHFFFAOYSA-N 1 2 363.439 2.790 20 5 FFBDLO COc1ccc(CC(=O)NCCn2c(C)[nH+]c3ccccc32)cc1[N+](=O)[O-] ZINC000067901204 507046316 /nfs/dbraw/zinc/04/63/16/507046316.db2.gz DPMBIFZRXIDPLG-UHFFFAOYSA-N 1 2 368.393 2.620 20 5 FFBDLO C[C@@H]1CN(c2ccc(CNC(=O)Nc3cccc([N+](=O)[O-])c3)c[nH+]2)CCO1 ZINC000045950960 507050205 /nfs/dbraw/zinc/05/02/05/507050205.db2.gz GJZOOTJQDBFPHC-CYBMUJFWSA-N 1 2 371.397 2.537 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000016443149 507089141 /nfs/dbraw/zinc/08/91/41/507089141.db2.gz JASGBNWDBTVVQG-CYBMUJFWSA-N 1 2 355.394 2.989 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000016443149 507089146 /nfs/dbraw/zinc/08/91/46/507089146.db2.gz JASGBNWDBTVVQG-CYBMUJFWSA-N 1 2 355.394 2.989 20 5 FFBDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000371308869 512320692 /nfs/dbraw/zinc/32/06/92/512320692.db2.gz SUKQXHKWSDZZMV-LLVKDONJSA-N 1 2 369.406 2.729 20 5 FFBDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000371308869 512320696 /nfs/dbraw/zinc/32/06/96/512320696.db2.gz SUKQXHKWSDZZMV-LLVKDONJSA-N 1 2 369.406 2.729 20 5 FFBDLO O=C(NCCc1cccc(F)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000057910370 507351437 /nfs/dbraw/zinc/35/14/37/507351437.db2.gz RAUZQTZKYLFPMF-UHFFFAOYSA-N 1 2 354.341 2.892 20 5 FFBDLO CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047743381 507387224 /nfs/dbraw/zinc/38/72/24/507387224.db2.gz DAJYWMWFNNAGCQ-SJORKVTESA-N 1 2 374.485 2.896 20 5 FFBDLO CC[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047743243 507387370 /nfs/dbraw/zinc/38/73/70/507387370.db2.gz DUIYTFVSLBWWEI-MRXNPFEDSA-N 1 2 360.458 2.508 20 5 FFBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000047866143 507403478 /nfs/dbraw/zinc/40/34/78/507403478.db2.gz WFACUBZDKOTCJE-SECBINFHSA-N 1 2 355.301 2.603 20 5 FFBDLO CCc1cc(NC[C@H](O)COCC2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000060320192 507521834 /nfs/dbraw/zinc/52/18/34/507521834.db2.gz ARAYGTRZWLMGGB-KRWDZBQOSA-N 1 2 372.425 2.814 20 5 FFBDLO CCc1cc(NC[C@@H](O)COCC2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000060320193 507524633 /nfs/dbraw/zinc/52/46/33/507524633.db2.gz ARAYGTRZWLMGGB-QGZVFWFLSA-N 1 2 372.425 2.814 20 5 FFBDLO O=[N+]([O-])c1ccccc1CN1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000026842988 507613226 /nfs/dbraw/zinc/61/32/26/507613226.db2.gz OALRVSOBCJIETP-UHFFFAOYSA-N 1 2 369.421 2.684 20 5 FFBDLO O=[N+]([O-])c1ccccc1C[NH+]1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000026842988 507613233 /nfs/dbraw/zinc/61/32/33/507613233.db2.gz OALRVSOBCJIETP-UHFFFAOYSA-N 1 2 369.421 2.684 20 5 FFBDLO C[NH+]1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000070708709 507622679 /nfs/dbraw/zinc/62/26/79/507622679.db2.gz JFRSGNYZFVKTTC-UHFFFAOYSA-N 1 2 354.410 2.595 20 5 FFBDLO CNc1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)cc1[N+](=O)[O-] ZINC000029067520 507756585 /nfs/dbraw/zinc/75/65/85/507756585.db2.gz FZRBMUWXLBCEGM-QGZVFWFLSA-N 1 2 365.393 2.889 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1F ZINC000029086307 507758087 /nfs/dbraw/zinc/75/80/87/507758087.db2.gz UFTXHOUBJHSHMR-INIZCTEOSA-N 1 2 369.356 2.569 20 5 FFBDLO Cc1cccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)[NH+]2CCOCC2)c1 ZINC000029421641 507777611 /nfs/dbraw/zinc/77/76/11/507777611.db2.gz FGHSXCYKIACVJW-LJQANCHMSA-N 1 2 369.421 2.707 20 5 FFBDLO O=[N+]([O-])c1c(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)nc2sccn21 ZINC000029852501 507792995 /nfs/dbraw/zinc/79/29/95/507792995.db2.gz PZUDEMOISBPURC-AWEZNQCLSA-N 1 2 373.438 2.617 20 5 FFBDLO O=[N+]([O-])c1c(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)nc2sccn21 ZINC000029852501 507792997 /nfs/dbraw/zinc/79/29/97/507792997.db2.gz PZUDEMOISBPURC-AWEZNQCLSA-N 1 2 373.438 2.617 20 5 FFBDLO CCc1nncn1CCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000078560997 507883572 /nfs/dbraw/zinc/88/35/72/507883572.db2.gz VNUFYQPMBSFAIE-UHFFFAOYSA-N 1 2 353.386 2.626 20 5 FFBDLO Cc1cnc(NCc2ccccc2OCC[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000078655434 507893834 /nfs/dbraw/zinc/89/38/34/507893834.db2.gz CPRUWBFYNIDWDW-UHFFFAOYSA-N 1 2 372.425 2.621 20 5 FFBDLO CN(CC(=O)Nc1ccccc1-n1cc[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC000079498746 507968969 /nfs/dbraw/zinc/96/89/69/507968969.db2.gz OZCNFIPOSQXMHM-UHFFFAOYSA-N 1 2 351.366 2.855 20 5 FFBDLO CNC(=O)c1ccc(NCc2ccccc2-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000091506307 507990896 /nfs/dbraw/zinc/99/08/96/507990896.db2.gz LFGKRTJWLBCDLC-UHFFFAOYSA-N 1 2 351.366 2.752 20 5 FFBDLO Cc1cc(NCc2ccccc2OCC[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000080599884 508087073 /nfs/dbraw/zinc/08/70/73/508087073.db2.gz DOLUYTMBRILFCJ-UHFFFAOYSA-N 1 2 372.425 2.621 20 5 FFBDLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000093050224 508117380 /nfs/dbraw/zinc/11/73/80/508117380.db2.gz FDLHCISMYPTTHW-OAHLLOKOSA-N 1 2 359.382 2.574 20 5 FFBDLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000093050224 508117382 /nfs/dbraw/zinc/11/73/82/508117382.db2.gz FDLHCISMYPTTHW-OAHLLOKOSA-N 1 2 359.382 2.574 20 5 FFBDLO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000093278984 508133565 /nfs/dbraw/zinc/13/35/65/508133565.db2.gz GWZVHQQBAJIZIX-AWEZNQCLSA-N 1 2 369.368 2.783 20 5 FFBDLO O=C1CCCN1[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000093278984 508133568 /nfs/dbraw/zinc/13/35/68/508133568.db2.gz GWZVHQQBAJIZIX-AWEZNQCLSA-N 1 2 369.368 2.783 20 5 FFBDLO C[C@@H](CS(C)(=O)=O)[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093384612 508143755 /nfs/dbraw/zinc/14/37/55/508143755.db2.gz RNWVJTABUPLRML-LBPRGKRZSA-N 1 2 352.412 2.720 20 5 FFBDLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093384612 508143756 /nfs/dbraw/zinc/14/37/56/508143756.db2.gz RNWVJTABUPLRML-LBPRGKRZSA-N 1 2 352.412 2.720 20 5 FFBDLO COCC1CC[NH+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000112352782 508177199 /nfs/dbraw/zinc/17/71/99/508177199.db2.gz PPSUKWCSUPNCCN-LLVKDONJSA-N 1 2 355.822 2.934 20 5 FFBDLO CC[C@H](O)[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000114187627 508298472 /nfs/dbraw/zinc/29/84/72/508298472.db2.gz YNGFIHJPCXLFPL-CABCVRRESA-N 1 2 355.822 2.812 20 5 FFBDLO CC[C@H](O)[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000114187627 508298475 /nfs/dbraw/zinc/29/84/75/508298475.db2.gz YNGFIHJPCXLFPL-CABCVRRESA-N 1 2 355.822 2.812 20 5 FFBDLO O=C(NCc1[nH]cc[nH+]1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000114340459 508305837 /nfs/dbraw/zinc/30/58/37/508305837.db2.gz UQIGQXSPVSVAQQ-UHFFFAOYSA-N 1 2 351.366 2.860 20 5 FFBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000114787166 508347585 /nfs/dbraw/zinc/34/75/85/508347585.db2.gz QSVMUMPHKUPDLE-OAHLLOKOSA-N 1 2 369.425 2.578 20 5 FFBDLO COc1cccc(CNC(=O)[C@H](C)[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000088606360 508378903 /nfs/dbraw/zinc/37/89/03/508378903.db2.gz LMNPOLCXHLAWOD-AWEZNQCLSA-N 1 2 369.421 2.666 20 5 FFBDLO COc1cccc(CNC(=O)[C@H](C)[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000088606360 508378906 /nfs/dbraw/zinc/37/89/06/508378906.db2.gz LMNPOLCXHLAWOD-AWEZNQCLSA-N 1 2 369.421 2.666 20 5 FFBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000134357013 508524120 /nfs/dbraw/zinc/52/41/20/508524120.db2.gz YUAGGSMGGSMOSN-ZDUSSCGKSA-N 1 2 358.373 2.648 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000123131768 508640935 /nfs/dbraw/zinc/64/09/35/508640935.db2.gz KQEVZWYRHKWBIU-UHFFFAOYSA-N 1 2 371.397 2.789 20 5 FFBDLO COc1cc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)ccc1[N+](=O)[O-] ZINC000153750116 508640958 /nfs/dbraw/zinc/64/09/58/508640958.db2.gz XUGDNUNNHPOHKN-UHFFFAOYSA-N 1 2 356.382 2.529 20 5 FFBDLO C[C@@H](CC(=O)c1ccco1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000158219742 508673951 /nfs/dbraw/zinc/67/39/51/508673951.db2.gz GIKVFLZXAHMAMA-LBPRGKRZSA-N 1 2 368.349 2.765 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCN(CCO)CC3)o2)c(Cl)c1 ZINC000154561770 508809517 /nfs/dbraw/zinc/80/95/17/508809517.db2.gz KTIZFEZVUARFBX-UHFFFAOYSA-N 1 2 365.817 2.618 20 5 FFBDLO COC(=O)c1cc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c(C)o1 ZINC000143102065 508828569 /nfs/dbraw/zinc/82/85/69/508828569.db2.gz DUVJADQKGPJNHF-UHFFFAOYSA-N 1 2 359.382 2.605 20 5 FFBDLO COc1cc(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000159479575 508847810 /nfs/dbraw/zinc/84/78/10/508847810.db2.gz IHUOFNRNGQGTLQ-UHFFFAOYSA-N 1 2 360.757 2.835 20 5 FFBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NCC(=O)c1ccccc1 ZINC000130886256 508861071 /nfs/dbraw/zinc/86/10/71/508861071.db2.gz MVLSAFMPGKXXNY-UHFFFAOYSA-N 1 2 367.405 2.558 20 5 FFBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NCC(=O)c1ccccc1 ZINC000130886256 508861072 /nfs/dbraw/zinc/86/10/72/508861072.db2.gz MVLSAFMPGKXXNY-UHFFFAOYSA-N 1 2 367.405 2.558 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCOc2cccc(F)c2)CC1 ZINC000119828150 508870824 /nfs/dbraw/zinc/87/08/24/508870824.db2.gz HHIHMSDSYLWION-UHFFFAOYSA-N 1 2 373.384 2.571 20 5 FFBDLO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000151107118 508958087 /nfs/dbraw/zinc/95/80/87/508958087.db2.gz AXVRZKGDCXDZMC-UHFFFAOYSA-N 1 2 374.466 2.718 20 5 FFBDLO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000151107118 508958090 /nfs/dbraw/zinc/95/80/90/508958090.db2.gz AXVRZKGDCXDZMC-UHFFFAOYSA-N 1 2 374.466 2.718 20 5 FFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000160329978 508971666 /nfs/dbraw/zinc/97/16/66/508971666.db2.gz JNGXRACCBALCRL-UHFFFAOYSA-N 1 2 367.471 2.547 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000125543875 508997894 /nfs/dbraw/zinc/99/78/94/508997894.db2.gz XMQIFELNDYYTSV-UHFFFAOYSA-N 1 2 374.378 2.590 20 5 FFBDLO CCOc1ccc(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000120547577 509018252 /nfs/dbraw/zinc/01/82/52/509018252.db2.gz WCXDMGGARYIRAZ-AWEZNQCLSA-N 1 2 372.425 2.822 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000126063483 509059776 /nfs/dbraw/zinc/05/97/76/509059776.db2.gz BRMVNUUQMAMYGL-CYBMUJFWSA-N 1 2 350.400 2.542 20 5 FFBDLO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000120820488 509070657 /nfs/dbraw/zinc/07/06/57/509070657.db2.gz VLLFIABKAKSYLZ-UHFFFAOYSA-N 1 2 355.398 2.843 20 5 FFBDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000161112431 509073785 /nfs/dbraw/zinc/07/37/85/509073785.db2.gz AQBGNNVKQCJCFF-ZDUSSCGKSA-N 1 2 358.398 2.848 20 5 FFBDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000161112431 509073790 /nfs/dbraw/zinc/07/37/90/509073790.db2.gz AQBGNNVKQCJCFF-ZDUSSCGKSA-N 1 2 358.398 2.848 20 5 FFBDLO CSc1ccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000161375511 509108670 /nfs/dbraw/zinc/10/86/70/509108670.db2.gz BKYCCMAXSXNEQR-CYBMUJFWSA-N 1 2 358.423 2.720 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)c1 ZINC000156024066 509112628 /nfs/dbraw/zinc/11/26/28/509112628.db2.gz BORHGVMWONNWAK-UHFFFAOYSA-N 1 2 373.384 2.701 20 5 FFBDLO O=C(COc1cccc([N+](=O)[O-])c1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000126757313 509123623 /nfs/dbraw/zinc/12/36/23/509123623.db2.gz JNZDTNXUXFTPHO-UHFFFAOYSA-N 1 2 370.409 2.675 20 5 FFBDLO COc1cc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc([N+](=O)[O-])c1C ZINC000188726595 509233827 /nfs/dbraw/zinc/23/38/27/509233827.db2.gz JWIBBRIPDYLWHL-UHFFFAOYSA-N 1 2 370.409 2.706 20 5 FFBDLO Cc1c(CC(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cccc1[N+](=O)[O-] ZINC000162858106 509311694 /nfs/dbraw/zinc/31/16/94/509311694.db2.gz XDQJLPKWTGLZGB-UHFFFAOYSA-N 1 2 369.421 2.917 20 5 FFBDLO NC(=O)[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000179220000 509326577 /nfs/dbraw/zinc/32/65/77/509326577.db2.gz FARZVFAHRUVSDS-CQSZACIVSA-N 1 2 364.199 2.674 20 5 FFBDLO COc1cc(C[N@H+]2CCO[C@@H]3CC[C@H](OC)C[C@H]32)c([N+](=O)[O-])cc1F ZINC000248607990 509388085 /nfs/dbraw/zinc/38/80/85/509388085.db2.gz DUJJREXFMPCUNO-APHBMKBZSA-N 1 2 354.378 2.511 20 5 FFBDLO COc1cc(C[N@@H+]2CCO[C@@H]3CC[C@H](OC)C[C@H]32)c([N+](=O)[O-])cc1F ZINC000248607990 509388092 /nfs/dbraw/zinc/38/80/92/509388092.db2.gz DUJJREXFMPCUNO-APHBMKBZSA-N 1 2 354.378 2.511 20 5 FFBDLO C[N@@H+]1CCc2nc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])sc2C1 ZINC000176309502 509436399 /nfs/dbraw/zinc/43/63/99/509436399.db2.gz HXNJUGKDPOZAED-UHFFFAOYSA-N 1 2 352.803 2.945 20 5 FFBDLO C[N@H+]1CCc2nc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])sc2C1 ZINC000176309502 509436402 /nfs/dbraw/zinc/43/64/02/509436402.db2.gz HXNJUGKDPOZAED-UHFFFAOYSA-N 1 2 352.803 2.945 20 5 FFBDLO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000179479650 509467533 /nfs/dbraw/zinc/46/75/33/509467533.db2.gz CTGHGKDSZYHWHA-INIZCTEOSA-N 1 2 369.421 2.595 20 5 FFBDLO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000179479650 509467542 /nfs/dbraw/zinc/46/75/42/509467542.db2.gz CTGHGKDSZYHWHA-INIZCTEOSA-N 1 2 369.421 2.595 20 5 FFBDLO Cc1cc(NCc2nncn2C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000267525035 509528615 /nfs/dbraw/zinc/52/86/15/509528615.db2.gz NWMFZYYLQJMGQK-UHFFFAOYSA-N 1 2 351.370 2.899 20 5 FFBDLO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000192514668 509544256 /nfs/dbraw/zinc/54/42/56/509544256.db2.gz GZTGXEYZTHDTHR-KRWDZBQOSA-N 1 2 373.457 2.913 20 5 FFBDLO COc1cc(C[NH2+]Cc2csc([C@H](C)OC)n2)c([N+](=O)[O-])cc1O ZINC000267671415 509591171 /nfs/dbraw/zinc/59/11/71/509591171.db2.gz ZDXVNXCYAIAPKF-VIFPVBQESA-N 1 2 353.400 2.763 20 5 FFBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000189772420 509744023 /nfs/dbraw/zinc/74/40/23/509744023.db2.gz BQHWQZNFNQHLJM-GFCCVEGCSA-N 1 2 360.439 2.758 20 5 FFBDLO Cc1cc(N2CCC[C@H](C3OCCO3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000264886399 509756029 /nfs/dbraw/zinc/75/60/29/509756029.db2.gz DTHRJRBRHPHGHX-HNNXBMFYSA-N 1 2 370.409 2.950 20 5 FFBDLO C[NH+](C)[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])c1c(F)cccc1F ZINC000183594852 509877792 /nfs/dbraw/zinc/87/77/92/509877792.db2.gz UEKXNIMWZSPDCN-CQSZACIVSA-N 1 2 365.340 2.692 20 5 FFBDLO CCc1ccc(C(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000174023393 509909987 /nfs/dbraw/zinc/90/99/87/509909987.db2.gz FOQQOONPFQASAS-UHFFFAOYSA-N 1 2 354.410 2.510 20 5 FFBDLO NC(=O)c1ccc(NCc2[nH+]ccn2CCc2ccccc2)c([N+](=O)[O-])c1 ZINC000193470980 509929114 /nfs/dbraw/zinc/92/91/14/509929114.db2.gz XSBBOYXOLMZJFX-UHFFFAOYSA-N 1 2 365.393 2.745 20 5 FFBDLO O=[N+]([O-])c1cc(Br)cnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000268499535 509970674 /nfs/dbraw/zinc/97/06/74/509970674.db2.gz RRFRCISJNDOXGY-UHFFFAOYSA-N 1 2 367.203 2.668 20 5 FFBDLO Cc1cc(C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000265295419 509973550 /nfs/dbraw/zinc/97/35/50/509973550.db2.gz OVRVJQGRVQXQIL-HNNXBMFYSA-N 1 2 354.410 2.817 20 5 FFBDLO C[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000177307896 509989529 /nfs/dbraw/zinc/98/95/29/509989529.db2.gz SSAREIFDOIMDIZ-SNVBAGLBSA-N 1 2 367.203 2.620 20 5 FFBDLO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCC(n2cc[nH+]c2)CC1 ZINC000265401965 510034855 /nfs/dbraw/zinc/03/48/55/510034855.db2.gz AKOFCVPLMLPSHD-UHFFFAOYSA-N 1 2 362.361 2.949 20 5 FFBDLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180687630 510056351 /nfs/dbraw/zinc/05/63/51/510056351.db2.gz GLPPDCINPJJJRE-UHFFFAOYSA-N 1 2 352.306 2.762 20 5 FFBDLO O=[N+]([O-])c1ccc(CN2CC[NH+](Cc3cccc(O)c3)CC2)c([N+](=O)[O-])c1 ZINC000193847013 510098559 /nfs/dbraw/zinc/09/85/59/510098559.db2.gz VMLNQUBHTXIDQX-UHFFFAOYSA-N 1 2 372.381 2.526 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N(CC(F)(F)F)c2cc[nH+]cc2)cc1 ZINC000180796984 510114410 /nfs/dbraw/zinc/11/44/10/510114410.db2.gz NKWFCRMZQKTAJI-UHFFFAOYSA-N 1 2 361.301 2.747 20 5 FFBDLO COCc1cc([N+](=O)[O-])ccc1NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000266005194 510354166 /nfs/dbraw/zinc/35/41/66/510354166.db2.gz LTAWCKSPAVCUFV-AWEZNQCLSA-N 1 2 372.425 2.973 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CCN(Cc3[nH]cc[nH+]3)CC2)c(C(F)(F)F)c1 ZINC000171924482 510454817 /nfs/dbraw/zinc/45/48/17/510454817.db2.gz VUZDFIAYVXURBE-UHFFFAOYSA-N 1 2 355.320 2.659 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)n1 ZINC000178161173 510464165 /nfs/dbraw/zinc/46/41/65/510464165.db2.gz LMPDQTPUEQFMEH-UHFFFAOYSA-N 1 2 369.425 2.813 20 5 FFBDLO C[C@@H](C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185140620 510708173 /nfs/dbraw/zinc/70/81/73/510708173.db2.gz OMXLEGHSJDMBOX-CHWSQXEVSA-N 1 2 358.373 2.628 20 5 FFBDLO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000178834003 510796224 /nfs/dbraw/zinc/79/62/24/510796224.db2.gz GDCRGYPETJZGKS-CYBMUJFWSA-N 1 2 374.397 2.808 20 5 FFBDLO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000178834003 510796227 /nfs/dbraw/zinc/79/62/27/510796227.db2.gz GDCRGYPETJZGKS-CYBMUJFWSA-N 1 2 374.397 2.808 20 5 FFBDLO CC[C@@H](c1ccncc1)[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182292429 510845192 /nfs/dbraw/zinc/84/51/92/510845192.db2.gz AUDJPNCUKZUFKS-KRWDZBQOSA-N 1 2 363.439 2.847 20 5 FFBDLO CC[C@@H](c1ccncc1)[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182292429 510845196 /nfs/dbraw/zinc/84/51/96/510845196.db2.gz AUDJPNCUKZUFKS-KRWDZBQOSA-N 1 2 363.439 2.847 20 5 FFBDLO CN(C)c1ccc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c[nH+]1 ZINC000270836430 510999947 /nfs/dbraw/zinc/99/99/47/510999947.db2.gz UBRUZIGZOKXLMO-UHFFFAOYSA-N 1 2 369.425 2.930 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000361233902 511017414 /nfs/dbraw/zinc/01/74/14/511017414.db2.gz FDRRZHSTNVVSGN-OLZOCXBDSA-N 1 2 370.331 2.655 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000361233902 511017419 /nfs/dbraw/zinc/01/74/19/511017419.db2.gz FDRRZHSTNVVSGN-OLZOCXBDSA-N 1 2 370.331 2.655 20 5 FFBDLO COc1ccc(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cc1[N+](=O)[O-] ZINC000270910309 511022609 /nfs/dbraw/zinc/02/26/09/511022609.db2.gz STVBXGWZEBCMNT-AWEZNQCLSA-N 1 2 357.414 2.979 20 5 FFBDLO COc1ccc(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cc1[N+](=O)[O-] ZINC000270910309 511022612 /nfs/dbraw/zinc/02/26/12/511022612.db2.gz STVBXGWZEBCMNT-AWEZNQCLSA-N 1 2 357.414 2.979 20 5 FFBDLO C[C@@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000271240910 511134106 /nfs/dbraw/zinc/13/41/06/511134106.db2.gz HMYQEAMQECLTLA-MNOVXSKESA-N 1 2 361.489 2.592 20 5 FFBDLO C[C@@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000271240910 511134108 /nfs/dbraw/zinc/13/41/08/511134108.db2.gz HMYQEAMQECLTLA-MNOVXSKESA-N 1 2 361.489 2.592 20 5 FFBDLO Cc1cn2c([nH+]1)[C@@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])CCC2 ZINC000362323972 511172071 /nfs/dbraw/zinc/17/20/71/511172071.db2.gz XTTXZVUSGMUUMA-SNVBAGLBSA-N 1 2 370.456 2.554 20 5 FFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000280385176 511446312 /nfs/dbraw/zinc/44/63/12/511446312.db2.gz KCNTWOWNIJNGAF-FHSNZYRGSA-N 1 2 374.397 2.586 20 5 FFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000280385176 511446315 /nfs/dbraw/zinc/44/63/15/511446315.db2.gz KCNTWOWNIJNGAF-FHSNZYRGSA-N 1 2 374.397 2.586 20 5 FFBDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000292298142 511543264 /nfs/dbraw/zinc/54/32/64/511543264.db2.gz MPULCXAJVLQKKC-VBQJREDUSA-N 1 2 363.458 2.596 20 5 FFBDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000292298142 511543271 /nfs/dbraw/zinc/54/32/71/511543271.db2.gz MPULCXAJVLQKKC-VBQJREDUSA-N 1 2 363.458 2.596 20 5 FFBDLO Cc1cc(F)c(NC(=O)N2CC[NH+](Cc3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000284072415 511595815 /nfs/dbraw/zinc/59/58/15/511595815.db2.gz QYDDLBKBJZUZLR-UHFFFAOYSA-N 1 2 373.388 2.787 20 5 FFBDLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280847551 511627161 /nfs/dbraw/zinc/62/71/61/511627161.db2.gz AAONBYFJEAIYBR-CZUORRHYSA-N 1 2 355.394 2.551 20 5 FFBDLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280847551 511627168 /nfs/dbraw/zinc/62/71/68/511627168.db2.gz AAONBYFJEAIYBR-CZUORRHYSA-N 1 2 355.394 2.551 20 5 FFBDLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365837751 511679566 /nfs/dbraw/zinc/67/95/66/511679566.db2.gz MCHJMVOEQWGQIX-LBPRGKRZSA-N 1 2 368.397 2.838 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000296331020 511702715 /nfs/dbraw/zinc/70/27/15/511702715.db2.gz LQQUROZVTIAKLV-HNNXBMFYSA-N 1 2 357.414 2.664 20 5 FFBDLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000366087406 511832628 /nfs/dbraw/zinc/83/26/28/511832628.db2.gz JYZHMQXLCPZRGK-ZDUSSCGKSA-N 1 2 355.398 2.549 20 5 FFBDLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000366087406 511832631 /nfs/dbraw/zinc/83/26/31/511832631.db2.gz JYZHMQXLCPZRGK-ZDUSSCGKSA-N 1 2 355.398 2.549 20 5 FFBDLO COC[C@@]1(C)CC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000296773457 511891797 /nfs/dbraw/zinc/89/17/97/511891797.db2.gz PWNFKPNEHKHJCY-BZNIZROVSA-N 1 2 355.822 2.934 20 5 FFBDLO COC[C@@]1(C)CC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000296773457 511891801 /nfs/dbraw/zinc/89/18/01/511891801.db2.gz PWNFKPNEHKHJCY-BZNIZROVSA-N 1 2 355.822 2.934 20 5 FFBDLO O=C(N1CC[C@@H](Oc2cc[nH+]cc2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000364246750 512043679 /nfs/dbraw/zinc/04/36/79/512043679.db2.gz ZNJFTDVJHISGFM-OAHLLOKOSA-N 1 2 363.320 2.762 20 5 FFBDLO CC(C)(CCC(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1)[N+](=O)[O-] ZINC000297166046 512045244 /nfs/dbraw/zinc/04/52/44/512045244.db2.gz PEXVGGSHBDVVGY-UHFFFAOYSA-N 1 2 370.453 2.846 20 5 FFBDLO COc1cc(Cc2noc(C[C@@H](C)n3cc[nH+]c3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000351462543 512051089 /nfs/dbraw/zinc/05/10/89/512051089.db2.gz UDLJPJARIFENKK-LLVKDONJSA-N 1 2 373.369 2.586 20 5 FFBDLO Cc1cc(C)c(NC(=O)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000411177132 512504582 /nfs/dbraw/zinc/50/45/82/512504582.db2.gz HDFFGVZOEOIPLA-LBPRGKRZSA-N 1 2 356.382 2.731 20 5 FFBDLO O=C1[C@@H]([N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCN1c1ccc(F)cc1 ZINC000411331226 512584017 /nfs/dbraw/zinc/58/40/17/512584017.db2.gz LOOOOMZCRLJXMR-SFHVURJKSA-N 1 2 355.369 2.898 20 5 FFBDLO O=C1[C@@H]([N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCN1c1ccc(F)cc1 ZINC000411331226 512584019 /nfs/dbraw/zinc/58/40/19/512584019.db2.gz LOOOOMZCRLJXMR-SFHVURJKSA-N 1 2 355.369 2.898 20 5 FFBDLO CC(C)(C)n1ncnc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000375954503 512586628 /nfs/dbraw/zinc/58/66/28/512586628.db2.gz NFVKHROGUWXBJV-UHFFFAOYSA-N 1 2 359.430 2.985 20 5 FFBDLO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000367638502 512594404 /nfs/dbraw/zinc/59/44/04/512594404.db2.gz SGAJONZQEUXROS-SECBINFHSA-N 1 2 365.187 2.755 20 5 FFBDLO O=[N+]([O-])c1ccc2oc(C[NH+]3CCN(c4ccc(F)cn4)CC3)nc2c1 ZINC000367659420 512604631 /nfs/dbraw/zinc/60/46/31/512604631.db2.gz LHVNGATYGXCJJB-UHFFFAOYSA-N 1 2 357.345 2.592 20 5 FFBDLO CC(C)[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000411484163 512657947 /nfs/dbraw/zinc/65/79/47/512657947.db2.gz XPCCNDJFAGFCOG-MRXNPFEDSA-N 1 2 365.430 2.879 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC(OCC2CC2)CC1 ZINC000374118535 512667081 /nfs/dbraw/zinc/66/70/81/512667081.db2.gz ICZJOPDPZVPAOJ-UHFFFAOYSA-N 1 2 370.409 2.812 20 5 FFBDLO O=[N+]([O-])c1cc2c(ncnc2NCc2ccnc(-n3cc[nH+]c3)c2)s1 ZINC000376118730 512670198 /nfs/dbraw/zinc/67/01/98/512670198.db2.gz USXLOWIQKGDEDU-UHFFFAOYSA-N 1 2 353.367 2.792 20 5 FFBDLO Cc1cccc(NC[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)[nH+]1 ZINC000372240002 512775562 /nfs/dbraw/zinc/77/55/62/512775562.db2.gz FQUMLBODCCQFIR-AWEZNQCLSA-N 1 2 356.382 2.721 20 5 FFBDLO Cc1nc([C@@](C)([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C2CC2)no1 ZINC000411808918 512823492 /nfs/dbraw/zinc/82/34/92/512823492.db2.gz YJNXPHMHVBEPKU-KRWDZBQOSA-N 1 2 359.386 2.530 20 5 FFBDLO O=C(C[NH+]1CCC([C@H]2CCOC2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000368234881 512858484 /nfs/dbraw/zinc/85/84/84/512858484.db2.gz MWPYJHKMTVHXJE-ZDUSSCGKSA-N 1 2 367.833 2.935 20 5 FFBDLO COC(=O)Cc1ccc(NC[C@@H]2CCCn3cc(C)[nH+]c32)c([N+](=O)[O-])c1 ZINC000450399636 513177364 /nfs/dbraw/zinc/17/73/64/513177364.db2.gz DKEAWDQJBKJCCE-AWEZNQCLSA-N 1 2 358.398 2.805 20 5 FFBDLO C[C@H]1C[C@@H](CCNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCO1 ZINC000450560111 513252560 /nfs/dbraw/zinc/25/25/60/513252560.db2.gz SNVZLZADYQCVRE-KBPBESRZSA-N 1 2 358.398 2.716 20 5 FFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCSC[C@@H]1CCO ZINC000425422307 513556476 /nfs/dbraw/zinc/55/64/76/513556476.db2.gz MUAAOBKJCLCWGT-LBPRGKRZSA-N 1 2 361.261 2.657 20 5 FFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCSC[C@@H]1CCO ZINC000425422307 513556479 /nfs/dbraw/zinc/55/64/79/513556479.db2.gz MUAAOBKJCLCWGT-LBPRGKRZSA-N 1 2 361.261 2.657 20 5 FFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(CS(C)(=O)=O)CC1 ZINC000430151293 513570843 /nfs/dbraw/zinc/57/08/43/513570843.db2.gz RKZILFRFASLGCX-GXDHUFHOSA-N 1 2 352.456 2.755 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H]1CCN(c2ccccc2)C1=O ZINC000430195024 513585183 /nfs/dbraw/zinc/58/51/83/513585183.db2.gz MIAIYOCIHBWLSY-KRWDZBQOSA-N 1 2 355.394 2.841 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H]1CCN(c2ccccc2)C1=O ZINC000430195024 513585192 /nfs/dbraw/zinc/58/51/92/513585192.db2.gz MIAIYOCIHBWLSY-KRWDZBQOSA-N 1 2 355.394 2.841 20 5 FFBDLO C[C@H](O)[C@@H]1CCN(c2cc(N[C@@H](C)c3ccc([N+](=O)[O-])cc3)[nH+]cn2)C1 ZINC000413339534 513602374 /nfs/dbraw/zinc/60/23/74/513602374.db2.gz YRJHTNRRGZUHAI-KCQAQPDRSA-N 1 2 357.414 2.765 20 5 FFBDLO C[C@H](O)[C@@H]1CCN(c2cc(N[C@@H](C)c3ccc([N+](=O)[O-])cc3)nc[nH+]2)C1 ZINC000413339534 513602380 /nfs/dbraw/zinc/60/23/80/513602380.db2.gz YRJHTNRRGZUHAI-KCQAQPDRSA-N 1 2 357.414 2.765 20 5 FFBDLO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)C[C@H](C)O2 ZINC000430284640 513610453 /nfs/dbraw/zinc/61/04/53/513610453.db2.gz ORMVNIFCJBGWOF-FHSNZYRGSA-N 1 2 360.414 2.630 20 5 FFBDLO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)C[C@H](C)O2 ZINC000430284640 513610459 /nfs/dbraw/zinc/61/04/59/513610459.db2.gz ORMVNIFCJBGWOF-FHSNZYRGSA-N 1 2 360.414 2.630 20 5 FFBDLO CCOC(=O)[C@H](C)[C@@H](C)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000430502465 513669006 /nfs/dbraw/zinc/66/90/06/513669006.db2.gz RMGZGDKJGHCMMK-CHWSQXEVSA-N 1 2 358.398 2.782 20 5 FFBDLO CN(Cc1[nH+]ccn1C)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435819157 513691403 /nfs/dbraw/zinc/69/14/03/513691403.db2.gz PPXMNCZXYKBTDB-UHFFFAOYSA-N 1 2 364.380 2.826 20 5 FFBDLO O=C(NC[C@@H]1CCC(F)(F)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451385889 513715646 /nfs/dbraw/zinc/71/56/46/513715646.db2.gz UHTQUDRPQVWKGG-LLVKDONJSA-N 1 2 350.325 2.946 20 5 FFBDLO O=C(NC[C@H](CO)CC1CCCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451428091 513746015 /nfs/dbraw/zinc/74/60/15/513746015.db2.gz JZJQZXACRBGWAG-OAHLLOKOSA-N 1 2 372.425 2.699 20 5 FFBDLO CC(C)CN1C[C@H]2C[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000425960946 513807762 /nfs/dbraw/zinc/80/77/62/513807762.db2.gz ZKLCVYHEESAYBS-QQOXCAACSA-N 1 2 358.442 2.686 20 5 FFBDLO CC(C)CN1C[C@H]2C[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000425960946 513807768 /nfs/dbraw/zinc/80/77/68/513807768.db2.gz ZKLCVYHEESAYBS-QQOXCAACSA-N 1 2 358.442 2.686 20 5 FFBDLO C[C@@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000413957366 513900178 /nfs/dbraw/zinc/90/01/78/513900178.db2.gz POFPVILOZLLNCT-CQSZACIVSA-N 1 2 355.394 2.647 20 5 FFBDLO C[C@@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000413957366 513900183 /nfs/dbraw/zinc/90/01/83/513900183.db2.gz POFPVILOZLLNCT-CQSZACIVSA-N 1 2 355.394 2.647 20 5 FFBDLO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000436953674 514047486 /nfs/dbraw/zinc/04/74/86/514047486.db2.gz QZANLGLAANMJLR-UHFFFAOYSA-N 1 2 355.394 2.826 20 5 FFBDLO Cc1cc(C[NH+]2CCN(c3ccnc4c3cccc4[N+](=O)[O-])CC2)on1 ZINC000432332063 514161487 /nfs/dbraw/zinc/16/14/87/514161487.db2.gz SXWTXNOADFLRIZ-UHFFFAOYSA-N 1 2 353.382 2.762 20 5 FFBDLO CCN(c1ccccc1)c1cc(NCCn2cc([N+](=O)[O-])cn2)[nH+]cn1 ZINC000432341789 514166180 /nfs/dbraw/zinc/16/61/80/514166180.db2.gz ZGPDITQYZGPGSA-UHFFFAOYSA-N 1 2 353.386 2.851 20 5 FFBDLO CCc1c[nH+]ccc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000432667727 514256987 /nfs/dbraw/zinc/25/69/87/514256987.db2.gz MMELCPTZANCGAG-UHFFFAOYSA-N 1 2 350.172 2.989 20 5 FFBDLO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444640054 514282365 /nfs/dbraw/zinc/28/23/65/514282365.db2.gz AZDLTVDDZWPGSF-ZDUSSCGKSA-N 1 2 373.457 2.845 20 5 FFBDLO CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444640054 514282371 /nfs/dbraw/zinc/28/23/71/514282371.db2.gz AZDLTVDDZWPGSF-ZDUSSCGKSA-N 1 2 373.457 2.845 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000444926652 514370679 /nfs/dbraw/zinc/37/06/79/514370679.db2.gz CBFABNJXKVIPAG-UHFFFAOYSA-N 1 2 373.291 2.684 20 5 FFBDLO CCO[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C12CCC2 ZINC000449938012 514431988 /nfs/dbraw/zinc/43/19/88/514431988.db2.gz DMFHSGRUIHWNHP-SJORKVTESA-N 1 2 370.409 2.858 20 5 FFBDLO CN(C)c1[nH+]ccc2cc(NC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)ccc21 ZINC000452794042 514498523 /nfs/dbraw/zinc/49/85/23/514498523.db2.gz JXNOKESLPGNHHR-UHFFFAOYSA-N 1 2 368.397 2.779 20 5 FFBDLO CCOc1ccc(C(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000452856169 514520824 /nfs/dbraw/zinc/52/08/24/514520824.db2.gz YPKHUOOQIOPSLF-OAHLLOKOSA-N 1 2 358.398 2.950 20 5 FFBDLO CCOc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc1[N+](=O)[O-] ZINC000445821184 514527467 /nfs/dbraw/zinc/52/74/67/514527467.db2.gz WNOKGAHQYCGGHD-CZUORRHYSA-N 1 2 374.397 2.969 20 5 FFBDLO CCOc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc1[N+](=O)[O-] ZINC000445821184 514527478 /nfs/dbraw/zinc/52/74/78/514527478.db2.gz WNOKGAHQYCGGHD-CZUORRHYSA-N 1 2 374.397 2.969 20 5 FFBDLO O=[N+]([O-])c1cccc2c1ccnc2NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000450230903 514556334 /nfs/dbraw/zinc/55/63/34/514556334.db2.gz HZTCGJFSOPLTPX-UHFFFAOYSA-N 1 2 365.393 2.987 20 5 FFBDLO C[C@@H](Nc1ccc(C(=O)NCc2c[nH+]c[nH]2)cc1[N+](=O)[O-])c1ccccn1 ZINC000461462391 514626400 /nfs/dbraw/zinc/62/64/00/514626400.db2.gz YXPKAHALBCJQKL-GFCCVEGCSA-N 1 2 366.381 2.816 20 5 FFBDLO C[C@@H](Nc1ccc(C(=O)NCc2c[nH]c[nH+]2)cc1[N+](=O)[O-])c1ccccn1 ZINC000461462391 514626409 /nfs/dbraw/zinc/62/64/09/514626409.db2.gz YXPKAHALBCJQKL-GFCCVEGCSA-N 1 2 366.381 2.816 20 5 FFBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCO[C@H](COc3ccccc3)C2)cc1 ZINC000484570113 514695019 /nfs/dbraw/zinc/69/50/19/514695019.db2.gz KWLJTHDOYHDSGU-IBGZPJMESA-N 1 2 358.394 2.753 20 5 FFBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCO[C@H](COc3ccccc3)C2)cc1 ZINC000484570113 514695031 /nfs/dbraw/zinc/69/50/31/514695031.db2.gz KWLJTHDOYHDSGU-IBGZPJMESA-N 1 2 358.394 2.753 20 5 FFBDLO C[C@@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])c(N)c3F)c[nH+]2)CCO1 ZINC000471256971 514815696 /nfs/dbraw/zinc/81/56/96/514815696.db2.gz JWNXCIBBNGARQV-LLVKDONJSA-N 1 2 361.377 2.548 20 5 FFBDLO CCc1cc(N[C@H]2CCc3c[nH]nc3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000467433433 515004648 /nfs/dbraw/zinc/00/46/48/515004648.db2.gz JCLRXDUARLTCQP-HNNXBMFYSA-N 1 2 364.409 2.729 20 5 FFBDLO CCN1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@H]1c1[nH]cc[nH+]1 ZINC000480686171 515044361 /nfs/dbraw/zinc/04/43/61/515044361.db2.gz CLSJQVMBPFXKEB-INIZCTEOSA-N 1 2 352.398 2.749 20 5 FFBDLO CCN1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@@H]1c1[nH]cc[nH+]1 ZINC000480721822 515058711 /nfs/dbraw/zinc/05/87/11/515058711.db2.gz WBYAZMYIONHKSS-QGZVFWFLSA-N 1 2 352.398 2.749 20 5 FFBDLO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@@H]1c1ncc[nH]1 ZINC000480721822 515058717 /nfs/dbraw/zinc/05/87/17/515058717.db2.gz WBYAZMYIONHKSS-QGZVFWFLSA-N 1 2 352.398 2.749 20 5 FFBDLO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@@H]1c1ncc[nH]1 ZINC000480721822 515058722 /nfs/dbraw/zinc/05/87/22/515058722.db2.gz WBYAZMYIONHKSS-QGZVFWFLSA-N 1 2 352.398 2.749 20 5 FFBDLO C[C@@H]1C[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000456396522 515156015 /nfs/dbraw/zinc/15/60/15/515156015.db2.gz BBTYUTQTWKXHHR-PELKAZGASA-N 1 2 365.187 2.990 20 5 FFBDLO CCOc1cc(C[N@@H+]2CCNC(=O)[C@H]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000491681996 515463878 /nfs/dbraw/zinc/46/38/78/515463878.db2.gz WZWCMZPWAFRZOF-GOSISDBHSA-N 1 2 369.421 2.537 20 5 FFBDLO CCOc1cc(C[N@H+]2CCNC(=O)[C@H]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000491681996 515463889 /nfs/dbraw/zinc/46/38/89/515463889.db2.gz WZWCMZPWAFRZOF-GOSISDBHSA-N 1 2 369.421 2.537 20 5 FFBDLO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000491831129 515473535 /nfs/dbraw/zinc/47/35/35/515473535.db2.gz VRFYDPQNKDXLAK-LLVKDONJSA-N 1 2 367.402 2.574 20 5 FFBDLO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000491831129 515473541 /nfs/dbraw/zinc/47/35/41/515473541.db2.gz VRFYDPQNKDXLAK-LLVKDONJSA-N 1 2 367.402 2.574 20 5 FFBDLO CCC(CC)[C@H](C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000473328814 515579918 /nfs/dbraw/zinc/57/99/18/515579918.db2.gz AYUTXJRGAGZRGY-MRXNPFEDSA-N 1 2 353.394 2.809 20 5 FFBDLO CCc1cc(N2C[C@@H](C)[S@](=O)[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000477793232 515593150 /nfs/dbraw/zinc/59/31/50/515593150.db2.gz VBHNZNOSHBFXIE-WUPCIBROSA-N 1 2 374.466 2.960 20 5 FFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000459523679 515617106 /nfs/dbraw/zinc/61/71/06/515617106.db2.gz SZJONGNXZOBGSY-STQMWFEESA-N 1 2 360.439 2.959 20 5 FFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000459523679 515617118 /nfs/dbraw/zinc/61/71/18/515617118.db2.gz SZJONGNXZOBGSY-STQMWFEESA-N 1 2 360.439 2.959 20 5 FFBDLO COC(=O)c1cccc2c1CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)C2 ZINC000459534489 515626793 /nfs/dbraw/zinc/62/67/93/515626793.db2.gz IHOKISCMMQKIKP-UHFFFAOYSA-N 1 2 356.378 2.948 20 5 FFBDLO COC(=O)c1cccc2c1CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)C2 ZINC000459534489 515626801 /nfs/dbraw/zinc/62/68/01/515626801.db2.gz IHOKISCMMQKIKP-UHFFFAOYSA-N 1 2 356.378 2.948 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2nc(C[NH+](C)C)cs2)c1 ZINC000457283160 515779703 /nfs/dbraw/zinc/77/97/03/515779703.db2.gz CNVHXQUJFIBJBW-UHFFFAOYSA-N 1 2 364.427 2.829 20 5 FFBDLO CCc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2[nH+]1 ZINC000494400337 515830821 /nfs/dbraw/zinc/83/08/21/515830821.db2.gz AZKADERNJXNYMD-UHFFFAOYSA-N 1 2 357.391 2.928 20 5 FFBDLO Cc1ccc(CCC[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cn1 ZINC000474144629 515904480 /nfs/dbraw/zinc/90/44/80/515904480.db2.gz KUVNYQWNHMEGLK-UHFFFAOYSA-N 1 2 374.466 2.750 20 5 FFBDLO Cc1cccc2[nH+]c(CNC(=O)NCc3cccc([N+](=O)[O-])c3C)cn21 ZINC000478648958 515907343 /nfs/dbraw/zinc/90/73/43/515907343.db2.gz CBOCACCUIIBOTM-UHFFFAOYSA-N 1 2 353.382 2.859 20 5 FFBDLO C[C@@H]1COC[C@H](c2ccccc2)[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000501046696 515952432 /nfs/dbraw/zinc/95/24/32/515952432.db2.gz MLKCFQZZESSSEG-XFQXTVEOSA-N 1 2 372.421 2.797 20 5 FFBDLO C[C@@H]1COC[C@H](c2ccccc2)[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000501046696 515952437 /nfs/dbraw/zinc/95/24/37/515952437.db2.gz MLKCFQZZESSSEG-XFQXTVEOSA-N 1 2 372.421 2.797 20 5 FFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000506721808 515963839 /nfs/dbraw/zinc/96/38/39/515963839.db2.gz ITJBJDMPMIZPCR-UHFFFAOYSA-N 1 2 353.382 2.723 20 5 FFBDLO CCCCOC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000464859782 515992783 /nfs/dbraw/zinc/99/27/83/515992783.db2.gz YPLONTYZTCVYNC-UHFFFAOYSA-N 1 2 365.430 2.823 20 5 FFBDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccc([N+](=O)[O-])n2C)C[C@H](C)O1 ZINC000501483487 516118026 /nfs/dbraw/zinc/11/80/26/516118026.db2.gz WMOFJFIQMUNEHU-OKILXGFUSA-N 1 2 372.425 2.795 20 5 FFBDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccc([N+](=O)[O-])n2C)C[C@H](C)O1 ZINC000501483487 516118039 /nfs/dbraw/zinc/11/80/39/516118039.db2.gz WMOFJFIQMUNEHU-OKILXGFUSA-N 1 2 372.425 2.795 20 5 FFBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000465573541 516200432 /nfs/dbraw/zinc/20/04/32/516200432.db2.gz OFDZYYWHOLKMKI-UHFFFAOYSA-N 1 2 367.409 2.795 20 5 FFBDLO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000507505876 516226344 /nfs/dbraw/zinc/22/63/44/516226344.db2.gz LSIDYXLDRURSNG-HIFRSBDPSA-N 1 2 355.394 2.866 20 5 FFBDLO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000507505876 516226348 /nfs/dbraw/zinc/22/63/48/516226348.db2.gz LSIDYXLDRURSNG-HIFRSBDPSA-N 1 2 355.394 2.866 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC(F)(F)C(F)(F)C1 ZINC000457926026 516233246 /nfs/dbraw/zinc/23/32/46/516233246.db2.gz KIDUDYYYFLKFQM-UHFFFAOYSA-N 1 2 358.251 2.507 20 5 FFBDLO CC[C@H]1C[N@H+](CCNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000470444014 516249758 /nfs/dbraw/zinc/24/97/58/516249758.db2.gz MQSFGYQTOCDDFT-HNNXBMFYSA-N 1 2 363.458 2.733 20 5 FFBDLO CC[C@H]1C[N@@H+](CCNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000470444014 516249767 /nfs/dbraw/zinc/24/97/67/516249767.db2.gz MQSFGYQTOCDDFT-HNNXBMFYSA-N 1 2 363.458 2.733 20 5 FFBDLO Cc1[nH+]c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3C)ccc2n1C ZINC000531199096 516344624 /nfs/dbraw/zinc/34/46/24/516344624.db2.gz GRUPXGYBHIUQIR-UHFFFAOYSA-N 1 2 360.395 2.899 20 5 FFBDLO COC(=O)c1cc(C(=O)Nc2ccc3[nH+]c(C)cn3c2)cc([N+](=O)[O-])c1 ZINC000522995586 516368982 /nfs/dbraw/zinc/36/89/82/516368982.db2.gz FKLACUIGKZSHKP-UHFFFAOYSA-N 1 2 354.322 2.590 20 5 FFBDLO C[NH+](C)[C@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])c1c(F)cccc1F ZINC000561225611 516464267 /nfs/dbraw/zinc/46/42/67/516464267.db2.gz QANIYNUHFNYKQL-CQSZACIVSA-N 1 2 364.352 2.687 20 5 FFBDLO Cc1cc[nH+]cc1N1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000543875487 516474449 /nfs/dbraw/zinc/47/44/49/516474449.db2.gz FPMNFXZDFILQHX-UHFFFAOYSA-N 1 2 350.382 2.568 20 5 FFBDLO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513991420 516825122 /nfs/dbraw/zinc/82/51/22/516825122.db2.gz GKJBJQZKDDVOMQ-MRXNPFEDSA-N 1 2 361.785 2.741 20 5 FFBDLO Cc1ccc(NCCCNC(=O)NCCNc2cccc[nH+]2)c([N+](=O)[O-])c1 ZINC000524804992 516837290 /nfs/dbraw/zinc/83/72/90/516837290.db2.gz OKIRFMYZVVYNKV-UHFFFAOYSA-N 1 2 372.429 2.512 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000514139816 516877698 /nfs/dbraw/zinc/87/76/98/516877698.db2.gz HCLXPGSACWKNAJ-AWEZNQCLSA-N 1 2 370.409 2.517 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCCCc2[nH]c3ccccc3[nH+]2)n1 ZINC000514662897 516989796 /nfs/dbraw/zinc/98/97/96/516989796.db2.gz RCNIKGMBWZSQQZ-UHFFFAOYSA-N 1 2 355.354 2.697 20 5 FFBDLO Cc1ccc([C@@H](CNC(=O)c2cccc(O)c2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000537730677 517315072 /nfs/dbraw/zinc/31/50/72/517315072.db2.gz PRLFUFCMYMLESC-CQSZACIVSA-N 1 2 359.382 2.769 20 5 FFBDLO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ncn(-c3ccccc3)n2)n1 ZINC000559916160 517485354 /nfs/dbraw/zinc/48/53/54/517485354.db2.gz ROXCDLKWBYTJIW-JKSUJKDBSA-N 1 2 367.413 2.646 20 5 FFBDLO CCOc1cccc(N2CC[NH+](Cc3cc([N+](=O)[O-])ccc3OC)CC2)n1 ZINC000520747317 517497458 /nfs/dbraw/zinc/49/74/58/517497458.db2.gz YEIFXJKMZMMKMY-UHFFFAOYSA-N 1 2 372.425 2.719 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000542971339 517844773 /nfs/dbraw/zinc/84/47/73/517844773.db2.gz YWTIOSQHGGSNLH-UHFFFAOYSA-N 1 2 361.423 2.765 20 5 FFBDLO Cc1ccn2cc(CNC(=O)N3CCc4c(cccc4[N+](=O)[O-])C3)[nH+]c2c1 ZINC000534518903 517923486 /nfs/dbraw/zinc/92/34/86/517923486.db2.gz IUCUTUMIAILLMB-UHFFFAOYSA-N 1 2 365.393 2.819 20 5 FFBDLO CCC(CC)[C@@H](C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000539364309 518009520 /nfs/dbraw/zinc/00/95/20/518009520.db2.gz ZVSYRWRYKAHQQP-KSSFIOAISA-N 1 2 363.458 2.909 20 5 FFBDLO Cc1ccc([C@H](C)[NH2+]Cc2nnnn2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000539379134 518018718 /nfs/dbraw/zinc/01/87/18/518018718.db2.gz OTGOQSBDDRIRBT-AWEZNQCLSA-N 1 2 352.398 2.789 20 5 FFBDLO C[N@H+]1Cc2ccccc2[C@@H](Nc2c(Br)cncc2[N+](=O)[O-])C1 ZINC000535036184 518132130 /nfs/dbraw/zinc/13/21/30/518132130.db2.gz XOLJODIRSMZSNB-ZDUSSCGKSA-N 1 2 363.215 2.773 20 5 FFBDLO C[N@@H+]1Cc2ccccc2[C@@H](Nc2c(Br)cncc2[N+](=O)[O-])C1 ZINC000535036184 518132136 /nfs/dbraw/zinc/13/21/36/518132136.db2.gz XOLJODIRSMZSNB-ZDUSSCGKSA-N 1 2 363.215 2.773 20 5 FFBDLO COc1ccc(C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)cc1[N+](=O)[O-] ZINC000539753074 518154603 /nfs/dbraw/zinc/15/46/03/518154603.db2.gz NGHHKYSWRIFGIC-UHFFFAOYSA-N 1 2 352.350 2.924 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@H]1CCC[C@@H](CO)C1 ZINC000569881736 518336610 /nfs/dbraw/zinc/33/66/10/518336610.db2.gz GZPWJKPPJGARFI-DOTOQJQBSA-N 1 2 363.458 2.638 20 5 FFBDLO COc1cc(C[NH2+]CCc2ccc3cn[nH]c3c2)c([N+](=O)[O-])cc1OC ZINC000585743431 518582522 /nfs/dbraw/zinc/58/25/22/518582522.db2.gz MVYRMXCMFCFUSK-UHFFFAOYSA-N 1 2 356.382 2.821 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]CCOc1ncccc1F)c1cccc([N+](=O)[O-])c1 ZINC000582316861 518694139 /nfs/dbraw/zinc/69/41/39/518694139.db2.gz IEFHKBYSMJCGMV-MRXNPFEDSA-N 1 2 371.372 2.620 20 5 FFBDLO COC(=O)c1c(C)[nH]c(C(=O)C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1C ZINC000568108371 518879728 /nfs/dbraw/zinc/87/97/28/518879728.db2.gz WVWFQPKNJNYZBP-UHFFFAOYSA-N 1 2 373.409 2.684 20 5 FFBDLO COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1C ZINC000568108371 518879736 /nfs/dbraw/zinc/87/97/36/518879736.db2.gz WVWFQPKNJNYZBP-UHFFFAOYSA-N 1 2 373.409 2.684 20 5 FFBDLO COC(=O)c1cc([C@H](C)[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)oc1C ZINC000577044366 518889182 /nfs/dbraw/zinc/88/91/82/518889182.db2.gz FUUBWJJHCMBBDB-LBPRGKRZSA-N 1 2 374.397 2.561 20 5 FFBDLO CC(C)(C)OC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000577181124 518952857 /nfs/dbraw/zinc/95/28/57/518952857.db2.gz MSIMQSHUTWSJFW-UHFFFAOYSA-N 1 2 350.415 2.918 20 5 FFBDLO CC(C)(C)OC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000577181124 518952860 /nfs/dbraw/zinc/95/28/60/518952860.db2.gz MSIMQSHUTWSJFW-UHFFFAOYSA-N 1 2 350.415 2.918 20 5 FFBDLO C[C@@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@@H](C)S1 ZINC000574028732 518952963 /nfs/dbraw/zinc/95/29/63/518952963.db2.gz CLPJAGSLPZXKKT-ZIAGYGMSSA-N 1 2 351.472 2.757 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@H]2CCCc3c2cnn3C)c1 ZINC000589501166 519019642 /nfs/dbraw/zinc/01/96/42/519019642.db2.gz BQURMNALFMHFIQ-INIZCTEOSA-N 1 2 358.398 2.624 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@H]2CCCc3c2cnn3C)c1 ZINC000589501166 519019646 /nfs/dbraw/zinc/01/96/46/519019646.db2.gz BQURMNALFMHFIQ-INIZCTEOSA-N 1 2 358.398 2.624 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)c1 ZINC000589509465 519021540 /nfs/dbraw/zinc/02/15/40/519021540.db2.gz NSHNOJCHXLKSLA-SFHVURJKSA-N 1 2 370.405 2.825 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)c1 ZINC000589509465 519021545 /nfs/dbraw/zinc/02/15/45/519021545.db2.gz NSHNOJCHXLKSLA-SFHVURJKSA-N 1 2 370.405 2.825 20 5 FFBDLO COc1cccc2c1C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC2 ZINC000590759868 519354051 /nfs/dbraw/zinc/35/40/51/519354051.db2.gz UKAUHXNETOIUNN-UHFFFAOYSA-N 1 2 355.394 2.909 20 5 FFBDLO COc1cccc2c1C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC2 ZINC000590759868 519354059 /nfs/dbraw/zinc/35/40/59/519354059.db2.gz UKAUHXNETOIUNN-UHFFFAOYSA-N 1 2 355.394 2.909 20 5 FFBDLO O=C(C[N@@H+]1CCOCC12CCCCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000590761879 519355948 /nfs/dbraw/zinc/35/59/48/519355948.db2.gz VLDAQQCFFQTWCW-UHFFFAOYSA-N 1 2 359.426 2.519 20 5 FFBDLO O=C(C[N@H+]1CCOCC12CCCCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000590761879 519355954 /nfs/dbraw/zinc/35/59/54/519355954.db2.gz VLDAQQCFFQTWCW-UHFFFAOYSA-N 1 2 359.426 2.519 20 5 FFBDLO O=C(C[N@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000602997799 520012694 /nfs/dbraw/zinc/01/26/94/520012694.db2.gz QYTLLPZXIQQTNK-MAZHCROVSA-N 1 2 367.833 2.812 20 5 FFBDLO O=C(C[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000602997799 520012703 /nfs/dbraw/zinc/01/27/03/520012703.db2.gz QYTLLPZXIQQTNK-MAZHCROVSA-N 1 2 367.833 2.812 20 5 FFBDLO NC(=O)C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C1CCCC1 ZINC000591843279 520059527 /nfs/dbraw/zinc/05/95/27/520059527.db2.gz VNKCLTZOPJMPSI-UHFFFAOYSA-N 1 2 356.220 2.587 20 5 FFBDLO NC(=O)C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C1CCCC1 ZINC000591843279 520059531 /nfs/dbraw/zinc/05/95/31/520059531.db2.gz VNKCLTZOPJMPSI-UHFFFAOYSA-N 1 2 356.220 2.587 20 5 FFBDLO Cc1ccc2c(c1)C[N@H+]([C@@H]1CC(=O)N(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000594660820 520072746 /nfs/dbraw/zinc/07/27/46/520072746.db2.gz RGPHYQXFLRWMTG-GOSISDBHSA-N 1 2 365.389 2.593 20 5 FFBDLO Cc1ccc2c(c1)C[N@@H+]([C@@H]1CC(=O)N(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000594660820 520072751 /nfs/dbraw/zinc/07/27/51/520072751.db2.gz RGPHYQXFLRWMTG-GOSISDBHSA-N 1 2 365.389 2.593 20 5 FFBDLO CCC(C)(C)OC1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000600268905 520166738 /nfs/dbraw/zinc/16/67/38/520166738.db2.gz JMSZTKQKHJCCIO-UHFFFAOYSA-N 1 2 358.398 2.810 20 5 FFBDLO COC1CC[NH+](Cc2cn([C@H](C)c3cc([N+](=O)[O-])ccc3C)nn2)CC1 ZINC000603248443 520181419 /nfs/dbraw/zinc/18/14/19/520181419.db2.gz CQYFSRJHZVMJHI-CQSZACIVSA-N 1 2 359.430 2.715 20 5 FFBDLO O=C(CN1CCC[C@@H](n2cc[nH+]c2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609157617 520212757 /nfs/dbraw/zinc/21/27/57/520212757.db2.gz KOSPPYYWBTVNDB-CYBMUJFWSA-N 1 2 363.805 2.720 20 5 FFBDLO O=[N+]([O-])c1cnc(N2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)c(F)c1 ZINC000603418594 520257525 /nfs/dbraw/zinc/25/75/25/520257525.db2.gz HDRQHOYXBFNTHY-UHFFFAOYSA-N 1 2 371.294 2.869 20 5 FFBDLO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1nc(COC)n[nH]1 ZINC000595071365 520279405 /nfs/dbraw/zinc/27/94/05/520279405.db2.gz XYUMHIQOMCZFLN-NSHDSACASA-N 1 2 351.432 2.520 20 5 FFBDLO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc(COC)[nH]1 ZINC000595071365 520279423 /nfs/dbraw/zinc/27/94/23/520279423.db2.gz XYUMHIQOMCZFLN-NSHDSACASA-N 1 2 351.432 2.520 20 5 FFBDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000613062620 520296760 /nfs/dbraw/zinc/29/67/60/520296760.db2.gz ALEHPYGGPGHOLU-OLZOCXBDSA-N 1 2 372.429 2.591 20 5 FFBDLO Cn1ncc2c1nc[nH+]c2SCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000603749728 520353614 /nfs/dbraw/zinc/35/36/14/520353614.db2.gz XSENTZVKLHQUDK-UHFFFAOYSA-N 1 2 369.366 2.614 20 5 FFBDLO C[C@@H]1CCCN(c2ccc(C(=O)N3CCn4cc[nH+]c4C3)cc2[N+](=O)[O-])C1 ZINC000609622675 520383245 /nfs/dbraw/zinc/38/32/45/520383245.db2.gz KVAGGUYTWBDSHV-CQSZACIVSA-N 1 2 369.425 2.684 20 5 FFBDLO COc1ccc(CN2CC[C@@H]([N@H+](C)Cc3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000595286625 520385910 /nfs/dbraw/zinc/38/59/10/520385910.db2.gz DSDJZFLXHBUJMA-LJQANCHMSA-N 1 2 369.421 2.836 20 5 FFBDLO COc1ccc(CN2CC[C@@H]([N@@H+](C)Cc3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000595286625 520385914 /nfs/dbraw/zinc/38/59/14/520385914.db2.gz DSDJZFLXHBUJMA-LJQANCHMSA-N 1 2 369.421 2.836 20 5 FFBDLO CO[C@H](C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)C1CCCC1 ZINC000595297308 520390896 /nfs/dbraw/zinc/39/08/96/520390896.db2.gz LNZBHCIYSJEBCE-CQSZACIVSA-N 1 2 367.471 2.619 20 5 FFBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000603930020 520408771 /nfs/dbraw/zinc/40/87/71/520408771.db2.gz FDGXBZOIJKRHBF-UHFFFAOYSA-N 1 2 369.425 2.952 20 5 FFBDLO COC(=O)[C@H]1C[C@H](C2CCCCC2)C[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595332033 520413120 /nfs/dbraw/zinc/41/31/20/520413120.db2.gz BGRIYFCJYQYCFB-UONOGXRCSA-N 1 2 351.403 2.835 20 5 FFBDLO COC(=O)[C@H]1C[C@H](C2CCCCC2)C[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595332033 520413129 /nfs/dbraw/zinc/41/31/29/520413129.db2.gz BGRIYFCJYQYCFB-UONOGXRCSA-N 1 2 351.403 2.835 20 5 FFBDLO Cc1ccn2cc(CNC(=O)CCNc3ccccc3[N+](=O)[O-])[nH+]c2c1 ZINC000604199452 520483159 /nfs/dbraw/zinc/48/31/59/520483159.db2.gz SCQFOLGJIACHJU-UHFFFAOYSA-N 1 2 353.382 2.669 20 5 FFBDLO Cc1cn2cc(NS(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])ccc2[nH+]1 ZINC000610032510 520513241 /nfs/dbraw/zinc/51/32/41/520513241.db2.gz IZDQUCNDKOBQNR-UHFFFAOYSA-N 1 2 360.395 2.969 20 5 FFBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CCOCc2ccccc2)CC1 ZINC000595504698 520513668 /nfs/dbraw/zinc/51/36/68/520513668.db2.gz HBALHZCPXSOZPQ-UHFFFAOYSA-N 1 2 369.421 2.569 20 5 FFBDLO Cc1noc(C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)c1[N+](=O)[O-] ZINC000595510099 520519384 /nfs/dbraw/zinc/51/93/84/520519384.db2.gz JACRWSVTOFHALQ-NSHDSACASA-N 1 2 374.166 2.616 20 5 FFBDLO CCc1cc(N2CC[S@](=O)[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000610078328 520530227 /nfs/dbraw/zinc/53/02/27/520530227.db2.gz DELLLFYMJXXHGO-VDBVYFBLSA-N 1 2 360.439 2.571 20 5 FFBDLO Cc1ccc(CS(=O)(=O)CCCOc2ccc([N+](=O)[O-])cc2)c(C)[nH+]1 ZINC000600939930 520547778 /nfs/dbraw/zinc/54/77/78/520547778.db2.gz LJCHEQCDMHJDPA-UHFFFAOYSA-N 1 2 364.423 2.991 20 5 FFBDLO CC1(C)CCC(O)(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000598339558 520562921 /nfs/dbraw/zinc/56/29/21/520562921.db2.gz ZFMNENCJELTXQR-UHFFFAOYSA-N 1 2 372.425 2.842 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc2c1CC[N@@H+](C)C2 ZINC000604490227 520576774 /nfs/dbraw/zinc/57/67/74/520576774.db2.gz RWECVGLPRMMSOC-UHFFFAOYSA-N 1 2 361.423 2.692 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc2c1CC[N@H+](C)C2 ZINC000604490227 520576776 /nfs/dbraw/zinc/57/67/76/520576776.db2.gz RWECVGLPRMMSOC-UHFFFAOYSA-N 1 2 361.423 2.692 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2c1CC[N@@H+](C)C2 ZINC000604490771 520577470 /nfs/dbraw/zinc/57/74/70/520577470.db2.gz OONWGPSAVRKDNJ-UHFFFAOYSA-N 1 2 361.423 2.692 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2c1CC[N@H+](C)C2 ZINC000604490771 520577480 /nfs/dbraw/zinc/57/74/80/520577480.db2.gz OONWGPSAVRKDNJ-UHFFFAOYSA-N 1 2 361.423 2.692 20 5 FFBDLO C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000598459221 520628054 /nfs/dbraw/zinc/62/80/54/520628054.db2.gz FUCYOVHVLQLGDM-NXEZZACHSA-N 1 2 352.778 2.626 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CCc3ccc(C)cc3C2)c([N+](=O)[O-])c1 ZINC000595657791 520629270 /nfs/dbraw/zinc/62/92/70/520629270.db2.gz OMISMULHTGEUSF-UHFFFAOYSA-N 1 2 355.394 2.909 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CCc3ccc(C)cc3C2)c([N+](=O)[O-])c1 ZINC000595657791 520629276 /nfs/dbraw/zinc/62/92/76/520629276.db2.gz OMISMULHTGEUSF-UHFFFAOYSA-N 1 2 355.394 2.909 20 5 FFBDLO Cc1c(Br)cc(C(=O)N[C@H](C)c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000598466124 520629591 /nfs/dbraw/zinc/62/95/91/520629591.db2.gz 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C[NH+](C)CCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000613943721 520735357 /nfs/dbraw/zinc/73/53/57/520735357.db2.gz MDUUMQGKUCNHSG-UHFFFAOYSA-N 1 2 359.382 2.883 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593117921 520758502 /nfs/dbraw/zinc/75/85/02/520758502.db2.gz OIMRNMYQXUDOPE-BMIGLBTASA-N 1 2 355.341 2.662 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593117921 520758508 /nfs/dbraw/zinc/75/85/08/520758508.db2.gz OIMRNMYQXUDOPE-BMIGLBTASA-N 1 2 355.341 2.662 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601374765 520762236 /nfs/dbraw/zinc/76/22/36/520762236.db2.gz KIEBNODULSYQGT-AWEZNQCLSA-N 1 2 354.410 2.766 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000595880865 520787795 /nfs/dbraw/zinc/78/77/95/520787795.db2.gz ZYUNIGZWRLVWSU-GLKRBJQHSA-N 1 2 355.822 2.526 20 5 FFBDLO 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520938334 /nfs/dbraw/zinc/93/83/34/520938334.db2.gz XMBBIDGXNFNYHX-NSHDSACASA-N 1 2 354.288 2.555 20 5 FFBDLO O=[N+]([O-])c1c(NCc2cc[nH+]c(N3CCOCC3)c2)ccc2cnccc21 ZINC000599020349 520984490 /nfs/dbraw/zinc/98/44/90/520984490.db2.gz NXBWASYJIIXTQB-UHFFFAOYSA-N 1 2 365.393 2.987 20 5 FFBDLO O=[N+]([O-])c1cc2c(ncnc2NCC2CC[NH+](CC(F)F)CC2)s1 ZINC000596238785 520989048 /nfs/dbraw/zinc/98/90/48/520989048.db2.gz KKOMVHYUQHMYNI-UHFFFAOYSA-N 1 2 357.386 2.989 20 5 FFBDLO COC(=O)c1c(Cl)c(NC(C)(C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000596271973 521003252 /nfs/dbraw/zinc/00/32/52/521003252.db2.gz WMWVZNASLDVFCD-UHFFFAOYSA-N 1 2 371.821 2.558 20 5 FFBDLO O=C(NCC[NH+]1Cc2ccccc2C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000611222720 521043573 /nfs/dbraw/zinc/04/35/73/521043573.db2.gz PLDOBDBDWVSSBG-UHFFFAOYSA-N 1 2 362.389 2.889 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000611223145 521044467 /nfs/dbraw/zinc/04/44/67/521044467.db2.gz MUIAYDDPNLHZJS-CYBMUJFWSA-N 1 2 351.366 2.817 20 5 FFBDLO O=C(CC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1)NC1CCCC1 ZINC000611264977 521066402 /nfs/dbraw/zinc/06/64/02/521066402.db2.gz CXZHUYDLHROFHV-UHFFFAOYSA-N 1 2 361.442 2.961 20 5 FFBDLO COc1ccc([C@H](CO)[N@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000611271831 521070222 /nfs/dbraw/zinc/07/02/22/521070222.db2.gz SXVUOXZJCRMKFV-KRWDZBQOSA-N 1 2 374.393 2.540 20 5 FFBDLO COc1ccc([C@H](CO)[N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000611271831 521070232 /nfs/dbraw/zinc/07/02/32/521070232.db2.gz SXVUOXZJCRMKFV-KRWDZBQOSA-N 1 2 374.393 2.540 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2cc3cnccc3o2)CC1 ZINC000593578553 521088554 /nfs/dbraw/zinc/08/85/54/521088554.db2.gz VBIMLHXVHOHWMN-UHFFFAOYSA-N 1 2 366.377 2.694 20 5 FFBDLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N1CCc2c1cccc2[N+](=O)[O-] ZINC000602102416 521143348 /nfs/dbraw/zinc/14/33/48/521143348.db2.gz ICTZVTOMIIGZNC-ZDUSSCGKSA-N 1 2 354.288 2.874 20 5 FFBDLO COc1cc(C[N@H+](C)Cc2cn[nH]c2)c([N+](=O)[O-])cc1OCC(F)F 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WJCCAGAPEVPQQA-LLVKDONJSA-N 1 2 353.448 2.786 20 5 FFBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000619475169 521587358 /nfs/dbraw/zinc/58/73/58/521587358.db2.gz OVDLGKXYKGZNDE-UHFFFAOYSA-N 1 2 374.378 2.590 20 5 FFBDLO COc1cc(C[N@@H+]2Cc3cnn(C)c3CC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000597257537 521599275 /nfs/dbraw/zinc/59/92/75/521599275.db2.gz GITMJCYGAILKGW-UHFFFAOYSA-N 1 2 374.441 2.930 20 5 FFBDLO COc1cc(C[N@H+]2Cc3cnn(C)c3CC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000597257537 521599278 /nfs/dbraw/zinc/59/92/78/521599278.db2.gz GITMJCYGAILKGW-UHFFFAOYSA-N 1 2 374.441 2.930 20 5 FFBDLO C[C@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485404165 561318521 /nfs/dbraw/zinc/31/85/21/561318521.db2.gz YAALFRHXJSAJGC-CYBMUJFWSA-N 1 2 360.389 2.929 20 5 FFBDLO CC(C)[C@H]1C[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CCS1 ZINC000154772215 728811361 /nfs/dbraw/zinc/81/13/61/728811361.db2.gz SVOUBLUYCCMTTK-MRXNPFEDSA-N 1 2 364.471 2.868 20 5 FFBDLO CC(C)[C@H]1C[N@@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CCS1 ZINC000154772215 728811366 /nfs/dbraw/zinc/81/13/66/728811366.db2.gz SVOUBLUYCCMTTK-MRXNPFEDSA-N 1 2 364.471 2.868 20 5 FFBDLO O=[N+]([O-])c1ccc2oc(=S)n(C[NH+]3CCC4(CC3)OCCO4)c2c1 ZINC000026611118 727870670 /nfs/dbraw/zinc/87/06/70/727870670.db2.gz PUAUBJYZWLWIDY-UHFFFAOYSA-N 1 2 351.384 2.668 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000106867841 728512638 /nfs/dbraw/zinc/51/26/38/728512638.db2.gz SMJXNWYWBLHNHW-CYBMUJFWSA-N 1 2 351.403 2.702 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000106867841 728512641 /nfs/dbraw/zinc/51/26/41/728512641.db2.gz SMJXNWYWBLHNHW-CYBMUJFWSA-N 1 2 351.403 2.702 20 5 FFBDLO C[N@H+](CC(=O)NC(C)(C)C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000120662091 728613944 /nfs/dbraw/zinc/61/39/44/728613944.db2.gz YJHVRQQZHBCRER-UHFFFAOYSA-N 1 2 358.236 2.704 20 5 FFBDLO C[N@@H+](CC(=O)NC(C)(C)C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000120662091 728613947 /nfs/dbraw/zinc/61/39/47/728613947.db2.gz YJHVRQQZHBCRER-UHFFFAOYSA-N 1 2 358.236 2.704 20 5 FFBDLO CCN(CC)C(=O)C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000248258850 729602496 /nfs/dbraw/zinc/60/24/96/729602496.db2.gz PQLVWRUHWGLVDM-UHFFFAOYSA-N 1 2 368.865 2.629 20 5 FFBDLO CCN(CC)C(=O)C[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000248258850 729602499 /nfs/dbraw/zinc/60/24/99/729602499.db2.gz PQLVWRUHWGLVDM-UHFFFAOYSA-N 1 2 368.865 2.629 20 5 FFBDLO CC(C)(C)OC(=O)[C@@]1(C)CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000859381754 730452780 /nfs/dbraw/zinc/45/27/80/730452780.db2.gz WENXAZVEJKBGED-CRAIPNDOSA-N 1 2 350.415 2.824 20 5 FFBDLO CC(C)(C)OC(=O)[C@@]1(C)CCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000859381754 730452781 /nfs/dbraw/zinc/45/27/81/730452781.db2.gz WENXAZVEJKBGED-CRAIPNDOSA-N 1 2 350.415 2.824 20 5 FFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1Br ZINC000859887114 730468562 /nfs/dbraw/zinc/46/85/62/730468562.db2.gz ZPZSRPLVHXAVOW-SMDDFHAHSA-N 1 2 373.272 2.843 20 5 FFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1Br ZINC000859887114 730468564 /nfs/dbraw/zinc/46/85/64/730468564.db2.gz ZPZSRPLVHXAVOW-SMDDFHAHSA-N 1 2 373.272 2.843 20 5 FFBDLO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1Br ZINC000860181609 730484828 /nfs/dbraw/zinc/48/48/28/730484828.db2.gz ROOUEZYVEKDBIB-CYBMUJFWSA-N 1 2 370.247 2.848 20 5 FFBDLO CC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1Br ZINC000860181609 730484830 /nfs/dbraw/zinc/48/48/30/730484830.db2.gz ROOUEZYVEKDBIB-CYBMUJFWSA-N 1 2 370.247 2.848 20 5 FFBDLO CC(C)(O)C1CC[NH+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000879626075 732736078 /nfs/dbraw/zinc/73/60/78/732736078.db2.gz GXJHIHWSHTUUOE-UHFFFAOYSA-N 1 2 355.822 2.670 20 5 FFBDLO C[NH+](C)Cc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000733869532 734854595 /nfs/dbraw/zinc/85/45/95/734854595.db2.gz WPSDDFNCCAZMEH-UHFFFAOYSA-N 1 2 353.375 2.596 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cncs3)CC2)c2ncccc12 ZINC000894852902 734927792 /nfs/dbraw/zinc/92/77/92/734927792.db2.gz ZMEIBDVMHRZAHR-UHFFFAOYSA-N 1 2 355.423 2.922 20 5 FFBDLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000741146881 735120368 /nfs/dbraw/zinc/12/03/68/735120368.db2.gz DQIVTUYVZIVQTD-CYBMUJFWSA-N 1 2 369.805 2.604 20 5 FFBDLO CC[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000741146881 735120369 /nfs/dbraw/zinc/12/03/69/735120369.db2.gz DQIVTUYVZIVQTD-CYBMUJFWSA-N 1 2 369.805 2.604 20 5 FFBDLO CCn1c[nH+]c2c1CCN(c1c(Br)cncc1[N+](=O)[O-])C2 ZINC000896660301 735178667 /nfs/dbraw/zinc/17/86/67/735178667.db2.gz NJKGALZGFPFVHP-UHFFFAOYSA-N 1 2 352.192 2.531 20 5 FFBDLO O=C(NCCCCn1cc[nH+]c1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756925237 736374000 /nfs/dbraw/zinc/37/40/00/736374000.db2.gz HKFAJWHORZFLMF-UHFFFAOYSA-N 1 2 351.794 2.724 20 5 FFBDLO CN(CCCn1cc[nH+]c1)C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000907048118 736576279 /nfs/dbraw/zinc/57/62/79/736576279.db2.gz ULWKYVPJHIYEJS-UHFFFAOYSA-N 1 2 350.806 2.926 20 5 FFBDLO Cc1cn2cc(NC(=O)c3cc4nsnc4c([N+](=O)[O-])c3)ccc2[nH+]1 ZINC000778252803 738367001 /nfs/dbraw/zinc/36/70/01/738367001.db2.gz CXLSNIIZDSSBNE-UHFFFAOYSA-N 1 2 354.351 2.808 20 5 FFBDLO CCOCCO[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000930070980 739055574 /nfs/dbraw/zinc/05/55/74/739055574.db2.gz BGIXBFGAGDSVOB-AWEZNQCLSA-N 1 2 373.247 2.985 20 5 FFBDLO CCOCCO[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000930070980 739055578 /nfs/dbraw/zinc/05/55/78/739055578.db2.gz BGIXBFGAGDSVOB-AWEZNQCLSA-N 1 2 373.247 2.985 20 5 FFBDLO COc1ccc(NC(=O)C[NH+]2CCC(F)(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000932630685 739481671 /nfs/dbraw/zinc/48/16/71/739481671.db2.gz MTHKOOVCFVLBQH-UHFFFAOYSA-N 1 2 351.378 2.756 20 5 FFBDLO Nc1cc(COC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc[nH+]1 ZINC000792042403 739629593 /nfs/dbraw/zinc/62/95/93/739629593.db2.gz VCVMKQUBRWLUDW-UHFFFAOYSA-N 1 2 352.144 2.692 20 5 FFBDLO Cc1c(Br)cc(C(=O)OCCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000793257525 739758858 /nfs/dbraw/zinc/75/88/58/739758858.db2.gz VVDCKEOGLCTQFY-UHFFFAOYSA-N 1 2 368.187 2.799 20 5 FFBDLO COCCO[C@@H]1CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000801525060 740627437 /nfs/dbraw/zinc/62/74/37/740627437.db2.gz DQBUOLROHORBDQ-CYBMUJFWSA-N 1 2 373.247 2.985 20 5 FFBDLO COCCO[C@@H]1CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000801525060 740627438 /nfs/dbraw/zinc/62/74/38/740627438.db2.gz DQBUOLROHORBDQ-CYBMUJFWSA-N 1 2 373.247 2.985 20 5 FFBDLO CC(C)(C)SCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000801914059 740662983 /nfs/dbraw/zinc/66/29/83/740662983.db2.gz DKXOFCKZPGVAOJ-UHFFFAOYSA-N 1 2 357.501 2.946 20 5 FFBDLO O=C(O[C@@H]1CC[N@H+](CCF)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000802238892 740688197 /nfs/dbraw/zinc/68/81/97/740688197.db2.gz QRFSWCSVCNQDJY-GFCCVEGCSA-N 1 2 350.268 2.814 20 5 FFBDLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000802238892 740688200 /nfs/dbraw/zinc/68/82/00/740688200.db2.gz QRFSWCSVCNQDJY-GFCCVEGCSA-N 1 2 350.268 2.814 20 5 FFBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc(Br)ccc1[N+](=O)[O-] ZINC000804809128 740906389 /nfs/dbraw/zinc/90/63/89/740906389.db2.gz PALNAEMATFINLZ-WCQYABFASA-N 1 2 370.247 2.657 20 5 FFBDLO CC(C)[C@@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CCCO1 ZINC000815318398 741924882 /nfs/dbraw/zinc/92/48/82/741924882.db2.gz NUJQSEFUVBDSBC-HNNXBMFYSA-N 1 2 355.822 2.934 20 5 FFBDLO CC(C)[C@@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CCCO1 ZINC000815318398 741924884 /nfs/dbraw/zinc/92/48/84/741924884.db2.gz NUJQSEFUVBDSBC-HNNXBMFYSA-N 1 2 355.822 2.934 20 5 FFBDLO O=C(C[N@H+]1CC[C@@H](O)CC12CCC2)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000817291773 742118973 /nfs/dbraw/zinc/11/89/73/742118973.db2.gz QDZKFSJIVNSGHF-GFCCVEGCSA-N 1 2 353.806 2.566 20 5 FFBDLO O=C(C[N@@H+]1CC[C@@H](O)CC12CCC2)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000817291773 742118975 /nfs/dbraw/zinc/11/89/75/742118975.db2.gz QDZKFSJIVNSGHF-GFCCVEGCSA-N 1 2 353.806 2.566 20 5 FFBDLO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC001045436867 743273853 /nfs/dbraw/zinc/27/38/53/743273853.db2.gz WXCTXRYQJLJUGR-VXGBXAGGSA-N 1 2 357.863 2.537 20 5 FFBDLO Cc1cc(Cl)c(C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000830786770 745429849 /nfs/dbraw/zinc/42/98/49/745429849.db2.gz DMNOBGMRFDLSDI-BETUJISGSA-N 1 2 369.849 2.738 20 5 FFBDLO Cc1cc(Cl)c(C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000830786770 745429851 /nfs/dbraw/zinc/42/98/51/745429851.db2.gz DMNOBGMRFDLSDI-BETUJISGSA-N 1 2 369.849 2.738 20 5 FFBDLO O=C1CCCN1[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839531997 746848867 /nfs/dbraw/zinc/84/88/67/746848867.db2.gz PRGKESYPFVWLOK-LBPRGKRZSA-N 1 2 368.231 2.554 20 5 FFBDLO O=C1CCCN1[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839531997 746848874 /nfs/dbraw/zinc/84/88/74/746848874.db2.gz PRGKESYPFVWLOK-LBPRGKRZSA-N 1 2 368.231 2.554 20 5 FFBDLO O=C(Nc1nnc(C(F)F)s1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001125323150 960335222 /nfs/dbraw/zinc/33/52/22/960335222.db2.gz DEDWRRPKSPGIIK-UHFFFAOYSA-N 1 2 366.309 2.822 20 5 FFBDLO CCn1nc(C)c(C[N@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)c1C ZINC000872630899 1013239803 /nfs/dbraw/zinc/23/98/03/1013239803.db2.gz HJYDVKFEKVPEOS-UHFFFAOYSA-N 1 2 357.418 2.571 20 5 FFBDLO CCn1nc(C)c(C[N@@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)c1C ZINC000872630899 1013239815 /nfs/dbraw/zinc/23/98/15/1013239815.db2.gz HJYDVKFEKVPEOS-UHFFFAOYSA-N 1 2 357.418 2.571 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC001175029324 1013371257 /nfs/dbraw/zinc/37/12/57/1013371257.db2.gz BIMSGPYIVYEFFB-MPGHIAIKSA-N 1 2 370.409 2.546 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H](O)c3cc(F)ccc3F)CC2)cc1 ZINC000051093562 963983772 /nfs/dbraw/zinc/98/37/72/963983772.db2.gz XBPLUQPCFLYBKU-GOSISDBHSA-N 1 2 363.364 2.729 20 5 FFBDLO C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000121922416 966978346 /nfs/dbraw/zinc/97/83/46/966978346.db2.gz JTDSHPYULZIILU-MRXNPFEDSA-N 1 2 374.485 2.896 20 5 FFBDLO COc1ccc2ncc([N+](=O)[O-])c(NCc3nc(C[NH+](C)C)cs3)c2c1 ZINC000895479889 970659022 /nfs/dbraw/zinc/65/90/22/970659022.db2.gz WTNUIUZIUOMGFS-UHFFFAOYSA-N 1 2 373.438 2.704 20 5 FFBDLO C[C@H](CNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1[N+](=O)[O-] ZINC000897061573 973204583 /nfs/dbraw/zinc/20/45/83/973204583.db2.gz KQHNLZKIBDIEKS-ZIAGYGMSSA-N 1 2 357.414 2.631 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)n1 ZINC001126269685 975780340 /nfs/dbraw/zinc/78/03/40/975780340.db2.gz VTBIVEAVEAXZCR-UHFFFAOYSA-N 1 2 370.409 2.691 20 5 FFBDLO O=c1[nH]ccc2oc(C[NH+]3CCN(c4cccc([N+](=O)[O-])c4)CC3)cc21 ZINC000876620016 1014327720 /nfs/dbraw/zinc/32/77/20/1014327720.db2.gz JBTHIIGNBKLHOS-UHFFFAOYSA-N 1 2 354.366 2.764 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@H]1CC[C@@H](C2CC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000897509979 981374208 /nfs/dbraw/zinc/37/42/08/981374208.db2.gz HXCYMOSEOGPSOU-FGTMMUONSA-N 1 2 356.426 2.965 20 5 FFBDLO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910785362 982049656 /nfs/dbraw/zinc/04/96/56/982049656.db2.gz DCKSWTXKDVVHHQ-UHFFFAOYSA-N 1 2 355.369 2.834 20 5 FFBDLO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910785362 982049667 /nfs/dbraw/zinc/04/96/67/982049667.db2.gz DCKSWTXKDVVHHQ-UHFFFAOYSA-N 1 2 355.369 2.834 20 5 FFBDLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)NCc1cccc([N+](=O)[O-])c1 ZINC000171199891 985236237 /nfs/dbraw/zinc/23/62/37/985236237.db2.gz JDEMBRILUNPQFI-UHFFFAOYSA-N 1 2 351.366 2.780 20 5 FFBDLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000672146474 987197861 /nfs/dbraw/zinc/19/78/61/987197861.db2.gz MUJJVPZMVKWADK-CYBMUJFWSA-N 1 2 358.401 2.623 20 5 FFBDLO Cc1cccc([C@H](O)CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000153430801 988099829 /nfs/dbraw/zinc/09/98/29/988099829.db2.gz KETNCLAWKMVFKT-GOSISDBHSA-N 1 2 366.377 2.552 20 5 FFBDLO Cc1c(CNC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cccc1[N+](=O)[O-] ZINC000444123356 989215547 /nfs/dbraw/zinc/21/55/47/989215547.db2.gz RRHQFPKSIVGXEF-HNNXBMFYSA-N 1 2 357.414 2.726 20 5 FFBDLO C[C@H]1C[C@H]1c1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n[nH]1 ZINC000194594095 990350082 /nfs/dbraw/zinc/35/00/82/990350082.db2.gz YVXHSIDCRKZWAT-CMPLNLGQSA-N 1 2 352.354 2.879 20 5 FFBDLO COc1ccc([C@@H]2C[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CCO2)cc1 ZINC000879634833 1015621130 /nfs/dbraw/zinc/62/11/30/1015621130.db2.gz XSPQQKKGSRBQMH-MOPGFXCFSA-N 1 2 358.394 2.710 20 5 FFBDLO COc1ccc([C@@H]2C[N@@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CCO2)cc1 ZINC000879634833 1015621131 /nfs/dbraw/zinc/62/11/31/1015621131.db2.gz XSPQQKKGSRBQMH-MOPGFXCFSA-N 1 2 358.394 2.710 20 5 FFBDLO Cc1c(CO)cc([N+](=O)[O-])c(NCc2ccn3cc[nH+]c3c2)c1[N+](=O)[O-] ZINC000811816506 995266907 /nfs/dbraw/zinc/26/69/07/995266907.db2.gz BHBMWZRRRXIBJO-UHFFFAOYSA-N 1 2 357.326 2.564 20 5 FFBDLO COCCO[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC001168948538 1000011109 /nfs/dbraw/zinc/01/11/09/1000011109.db2.gz FEFDXDYCSOQECF-AWEZNQCLSA-N 1 2 373.247 2.985 20 5 FFBDLO COCCO[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC001168948538 1000011111 /nfs/dbraw/zinc/01/11/11/1000011111.db2.gz FEFDXDYCSOQECF-AWEZNQCLSA-N 1 2 373.247 2.985 20 5 FFBDLO Cc1cccn2cc(CCNC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])[nH+]c12 ZINC000746540375 1001392424 /nfs/dbraw/zinc/39/24/24/1001392424.db2.gz NBNBZIAFMNJSID-UHFFFAOYSA-N 1 2 360.320 2.802 20 5 FFBDLO CCc1nnc([C@@H](C)OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)o1 ZINC000785676400 1001466512 /nfs/dbraw/zinc/46/65/12/1001466512.db2.gz SUILWWURZJHYLH-SNVBAGLBSA-N 1 2 357.326 2.644 20 5 FFBDLO Cc1cccn2cc(CC(=O)N3CCc4c3ccc([N+](=O)[O-])c4F)[nH+]c12 ZINC001273477599 1002060865 /nfs/dbraw/zinc/06/08/65/1002060865.db2.gz OLYUGTMTGJPPKB-UHFFFAOYSA-N 1 2 354.341 2.822 20 5 FFBDLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000791359047 1002680967 /nfs/dbraw/zinc/68/09/67/1002680967.db2.gz JJKGGUHNDDZGDV-UHFFFAOYSA-N 1 2 369.381 2.764 20 5 FFBDLO C[NH+](C)[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000792116583 1002910237 /nfs/dbraw/zinc/91/02/37/1002910237.db2.gz COVOYUCETLYBGT-MRXNPFEDSA-N 1 2 359.338 2.849 20 5 FFBDLO CCOC(=O)N(C)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000774877018 1002943460 /nfs/dbraw/zinc/94/34/60/1002943460.db2.gz UHJWBVQWSAHUAM-UHFFFAOYSA-N 1 2 366.374 2.556 20 5 FFBDLO CC1CCN(c2ccc(C(=O)OCCc3c[nH+]cn3C)cc2[N+](=O)[O-])CC1 ZINC000793255483 1003320912 /nfs/dbraw/zinc/32/09/12/1003320912.db2.gz LDBGNRZADTUDGX-UHFFFAOYSA-N 1 2 372.425 2.964 20 5 FFBDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000747170450 1003550161 /nfs/dbraw/zinc/55/01/61/1003550161.db2.gz SHRRZURREAZULN-UHFFFAOYSA-N 1 2 357.414 2.793 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CCCC[C@@]23CCCOC3)c([N+](=O)[O-])c1 ZINC001198820300 1004749288 /nfs/dbraw/zinc/74/92/88/1004749288.db2.gz IXELBLDFGUFTTK-SFHVURJKSA-N 1 2 363.414 2.577 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CCCC[C@@]23CCCOC3)c([N+](=O)[O-])c1 ZINC001198820300 1004749291 /nfs/dbraw/zinc/74/92/91/1004749291.db2.gz IXELBLDFGUFTTK-SFHVURJKSA-N 1 2 363.414 2.577 20 5 FFBDLO CCOC(=O)n1nc2c(c1Nc1cc([N+](=O)[O-])c(C)cn1)C[NH2+]C2(C)C ZINC001170760587 1006410661 /nfs/dbraw/zinc/41/06/61/1006410661.db2.gz PEQQBVPLEAQLBI-UHFFFAOYSA-N 1 2 360.374 2.581 20 5 FFBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cnn(CC3CCC3)c2)CC1 ZINC001180497488 1009725188 /nfs/dbraw/zinc/72/51/88/1009725188.db2.gz LRZZAZQZMOXQJJ-UHFFFAOYSA-N 1 2 355.442 2.914 20 5 FFBDLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000826604922 1009790424 /nfs/dbraw/zinc/79/04/24/1009790424.db2.gz MZZDRDCVTBWRDP-QGZVFWFLSA-N 1 2 369.421 2.534 20 5 FFBDLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000826604922 1009790435 /nfs/dbraw/zinc/79/04/35/1009790435.db2.gz MZZDRDCVTBWRDP-QGZVFWFLSA-N 1 2 369.421 2.534 20 5 FFBDLO C[C@@H]1C[N@H+](Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)[C@H]2CCCC[C@@H]12 ZINC000794639653 1010439283 /nfs/dbraw/zinc/43/92/83/1010439283.db2.gz NFHSVDRIUMBPKD-IPYPFGDCSA-N 1 2 358.398 2.880 20 5 FFBDLO C[C@@H]1C[N@@H+](Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)[C@H]2CCCC[C@@H]12 ZINC000794639653 1010439285 /nfs/dbraw/zinc/43/92/85/1010439285.db2.gz NFHSVDRIUMBPKD-IPYPFGDCSA-N 1 2 358.398 2.880 20 5 FFBDLO CCO[C@@H]1C[C@H]([N@H+](C)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C12CCC2 ZINC000794632237 1010448141 /nfs/dbraw/zinc/44/81/41/1010448141.db2.gz GQSZZWSTSYOCOK-LSDHHAIUSA-N 1 2 361.398 2.740 20 5 FFBDLO CCO[C@@H]1C[C@H]([N@@H+](C)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C12CCC2 ZINC000794632237 1010448148 /nfs/dbraw/zinc/44/81/48/1010448148.db2.gz GQSZZWSTSYOCOK-LSDHHAIUSA-N 1 2 361.398 2.740 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(-c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)n1 ZINC001212698401 1012197988 /nfs/dbraw/zinc/19/79/88/1012197988.db2.gz LFRSWGIMIITYTO-UHFFFAOYSA-N 1 2 364.321 2.901 20 5 FFBDLO CCC(CC)([NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C(=O)OC ZINC001173184436 1012329475 /nfs/dbraw/zinc/32/94/75/1012329475.db2.gz NFAAHPPIBDEJBS-NSHDSACASA-N 1 2 356.394 2.995 20 5 FFBDLO COc1ccc(C[N@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)cc1F ZINC000748449025 1017239840 /nfs/dbraw/zinc/23/98/40/1017239840.db2.gz JIAVDNWNEYJSGU-UHFFFAOYSA-N 1 2 359.361 2.885 20 5 FFBDLO COc1ccc(C[N@@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)cc1F ZINC000748449025 1017239845 /nfs/dbraw/zinc/23/98/45/1017239845.db2.gz JIAVDNWNEYJSGU-UHFFFAOYSA-N 1 2 359.361 2.885 20 5 FFBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](Cc2ccc(-c3ccsc3)cc2)C1 ZINC001042707833 1019116341 /nfs/dbraw/zinc/11/63/41/1019116341.db2.gz WRRAEMLTCRPADC-QZTJIDSGSA-N 1 2 371.462 2.723 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000777736379 1019214137 /nfs/dbraw/zinc/21/41/37/1019214137.db2.gz PNXGGVLGPVVWME-IBGZPJMESA-N 1 2 373.384 2.574 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000777736379 1019214147 /nfs/dbraw/zinc/21/41/47/1019214147.db2.gz PNXGGVLGPVVWME-IBGZPJMESA-N 1 2 373.384 2.574 20 5 FFBDLO Cc1csc(C[C@H]2CC[N@H+](Cn3c(=O)oc4cccc([N+](=O)[O-])c43)C2)n1 ZINC000902539237 1020267813 /nfs/dbraw/zinc/26/78/13/1020267813.db2.gz JZYWKLLKRLTEQW-GFCCVEGCSA-N 1 2 374.422 2.790 20 5 FFBDLO Cc1csc(C[C@H]2CC[N@@H+](Cn3c(=O)oc4cccc([N+](=O)[O-])c43)C2)n1 ZINC000902539237 1020267820 /nfs/dbraw/zinc/26/78/20/1020267820.db2.gz JZYWKLLKRLTEQW-GFCCVEGCSA-N 1 2 374.422 2.790 20 5 FFBDLO CC[N@H+](CCC(F)(F)F)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000726589719 1020491552 /nfs/dbraw/zinc/49/15/52/1020491552.db2.gz WIPCMXLSNCNAPE-UHFFFAOYSA-N 1 2 374.319 2.595 20 5 FFBDLO CC[N@@H+](CCC(F)(F)F)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000726589719 1020491556 /nfs/dbraw/zinc/49/15/56/1020491556.db2.gz WIPCMXLSNCNAPE-UHFFFAOYSA-N 1 2 374.319 2.595 20 5 FFBDLO Cc1cc2nc3nc(=O)[nH]c(O[C@H](C)C4CC[NH2+]CC4)c3nc2cc1C ZINC001218006512 1032947641 /nfs/dbraw/zinc/94/76/41/1032947641.db2.gz RJBVYIQJYBIQAV-GFCCVEGCSA-N 1 2 353.426 2.662 20 5 FFBDLO COc1cc(Br)c(O[C@H]2CC[NH2+]CC2(F)F)c([N+](=O)[O-])c1 ZINC001218007912 1032948566 /nfs/dbraw/zinc/94/85/66/1032948566.db2.gz SEZRXUBNOQECGE-JTQLQIEISA-N 1 2 367.146 2.742 20 5 FFBDLO COc1cc(Br)c(O[C@@H]2CC[NH2+]CC2(F)F)c([N+](=O)[O-])c1 ZINC001218007914 1032949818 /nfs/dbraw/zinc/94/98/18/1032949818.db2.gz SEZRXUBNOQECGE-SNVBAGLBSA-N 1 2 367.146 2.742 20 5 FFBDLO COc1cc(C[NH2+][C@H]2c3ccccc3OC[C@H]2CO)c([N+](=O)[O-])cc1F ZINC000934211413 1021166812 /nfs/dbraw/zinc/16/68/12/1021166812.db2.gz ITWIGVICORUUQQ-KZULUSFZSA-N 1 2 362.357 2.574 20 5 FFBDLO O=C(N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001118829271 1022426435 /nfs/dbraw/zinc/42/64/35/1022426435.db2.gz IOQXJMVDVPPHSE-UPJWGTAASA-N 1 2 362.336 2.944 20 5 FFBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cc2ccccc2o1 ZINC001039585370 1022768139 /nfs/dbraw/zinc/76/81/39/1022768139.db2.gz ZEECLNLMINZSAH-CYGHRXIMSA-N 1 2 369.421 2.663 20 5 FFBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cc2ccccc2o1 ZINC001039585370 1022768150 /nfs/dbraw/zinc/76/81/50/1022768150.db2.gz ZEECLNLMINZSAH-CYGHRXIMSA-N 1 2 369.421 2.663 20 5 FFBDLO Cc1nn(CCC(=O)OCc2ccc(-n3cc[nH+]c3)cc2)c(C)c1[N+](=O)[O-] ZINC000754505001 1023478489 /nfs/dbraw/zinc/47/84/89/1023478489.db2.gz SSFBEVYYNROZAF-UHFFFAOYSA-N 1 2 369.381 2.727 20 5 FFBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001141957321 1027221089 /nfs/dbraw/zinc/22/10/89/1027221089.db2.gz ZRUUHYXTYGEEGQ-INIZCTEOSA-N 1 2 356.313 2.592 20 5 FFBDLO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N[C@@H](C)c2c[nH+]c3c(C)cccn23)n1 ZINC001160688090 1027807282 /nfs/dbraw/zinc/80/72/82/1027807282.db2.gz LVNTWFOAFIRWTQ-JTQLQIEISA-N 1 2 369.385 2.781 20 5 FFBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000796110254 1028474039 /nfs/dbraw/zinc/47/40/39/1028474039.db2.gz BPGBHYZBIYRBEN-UHFFFAOYSA-N 1 2 358.354 2.616 20 5 FFBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000796110254 1028474045 /nfs/dbraw/zinc/47/40/45/1028474045.db2.gz BPGBHYZBIYRBEN-UHFFFAOYSA-N 1 2 358.354 2.616 20 5 FFBDLO COc1cnc(N2CC[NH+](C/C=C/c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001163845211 1029089102 /nfs/dbraw/zinc/08/91/02/1029089102.db2.gz IKCAQPFSQHCCGG-VMPITWQZSA-N 1 2 354.410 2.834 20 5 FFBDLO O=[N+]([O-])c1cc(-c2ccc(N3CC[NH2+]CC(F)(F)C3)nn2)ccc1Cl ZINC001164502142 1029302177 /nfs/dbraw/zinc/30/21/77/1029302177.db2.gz HJUMMQJAXBIFLG-UHFFFAOYSA-N 1 2 369.759 2.750 20 5 FFBDLO Cc1ccnc(N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)c1[N+](=O)[O-] ZINC001165692289 1030086869 /nfs/dbraw/zinc/08/68/69/1030086869.db2.gz OKDRIOISSBZKST-OAHLLOKOSA-N 1 2 357.414 2.558 20 5 FFBDLO O=[N+]([O-])c1ccc(NCCO)c(NCc2c[nH+]cn2Cc2ccccc2)c1 ZINC000783562994 1030156066 /nfs/dbraw/zinc/15/60/66/1030156066.db2.gz NOILYAMTDKVSAG-UHFFFAOYSA-N 1 2 367.409 2.856 20 5 FFBDLO Cc1cnc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(C)c1 ZINC001534517424 1069657190 /nfs/dbraw/zinc/65/71/90/1069657190.db2.gz YTDLXMZSAOWUJM-UHFFFAOYSA-N 1 2 351.366 2.722 20 5 FFBDLO COC1(C(F)(F)F)CC[NH+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)CC1 ZINC000841690602 1030406118 /nfs/dbraw/zinc/40/61/18/1030406118.db2.gz WTOBEVOEQSHBAN-UHFFFAOYSA-N 1 2 373.335 2.649 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC001203717124 1030844378 /nfs/dbraw/zinc/84/43/78/1030844378.db2.gz VYBCMVICYXRUSP-INIZCTEOSA-N 1 2 356.382 2.912 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC001203717124 1030844388 /nfs/dbraw/zinc/84/43/88/1030844388.db2.gz VYBCMVICYXRUSP-INIZCTEOSA-N 1 2 356.382 2.912 20 5 FFBDLO CC(C)(C(=O)OCC1CN(c2cccc[nH+]2)C1)c1ccccc1[N+](=O)[O-] ZINC000842884738 1031018941 /nfs/dbraw/zinc/01/89/41/1031018941.db2.gz UVXXMRHCTGOEJG-UHFFFAOYSA-N 1 2 355.394 2.947 20 5 FFBDLO CCCCNc1cc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc(N)[nH+]1 ZINC000798215920 1031337778 /nfs/dbraw/zinc/33/77/78/1031337778.db2.gz VEFVEBXMIJBJBF-UHFFFAOYSA-N 1 2 371.445 2.506 20 5 FFBDLO CCCCNc1cc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[nH+]c(N)n1 ZINC000798215920 1031337795 /nfs/dbraw/zinc/33/77/95/1031337795.db2.gz VEFVEBXMIJBJBF-UHFFFAOYSA-N 1 2 371.445 2.506 20 5 FFBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC001221313545 1034670798 /nfs/dbraw/zinc/67/07/98/1034670798.db2.gz SFNYHCLOBVDWOX-UHFFFAOYSA-N 1 2 369.425 2.818 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001226443052 1034687842 /nfs/dbraw/zinc/68/78/42/1034687842.db2.gz LSULRHQAXGVTGT-QGZVFWFLSA-N 1 2 358.394 2.883 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001226443052 1034687847 /nfs/dbraw/zinc/68/78/47/1034687847.db2.gz LSULRHQAXGVTGT-QGZVFWFLSA-N 1 2 358.394 2.883 20 5 FFBDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc([N+](=O)[O-])c(Br)cc3F)[C@H]1CC(=O)C2 ZINC001228941090 1036421661 /nfs/dbraw/zinc/42/16/61/1036421661.db2.gz HVIVKXNUKDBLTD-AAAAQAOESA-N 1 2 373.178 2.679 20 5 FFBDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc([N+](=O)[O-])c(Br)cc3F)[C@H]1CC(=O)C2 ZINC001228941090 1036421668 /nfs/dbraw/zinc/42/16/68/1036421668.db2.gz HVIVKXNUKDBLTD-AAAAQAOESA-N 1 2 373.178 2.679 20 5 FFBDLO Cc1cc(O)c(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC001229751608 1036872059 /nfs/dbraw/zinc/87/20/59/1036872059.db2.gz WPBOGRQTBLHANW-INIZCTEOSA-N 1 2 358.394 2.889 20 5 FFBDLO Cc1cc(O)c(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC001229751608 1036872064 /nfs/dbraw/zinc/87/20/64/1036872064.db2.gz WPBOGRQTBLHANW-INIZCTEOSA-N 1 2 358.394 2.889 20 5 FFBDLO O=[N+]([O-])c1cccc([N+](=O)[O-])c1OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001230313028 1037216528 /nfs/dbraw/zinc/21/65/28/1037216528.db2.gz SACOWCHIFADFHN-OAHLLOKOSA-N 1 2 373.365 2.783 20 5 FFBDLO O=[N+]([O-])c1cccc([N+](=O)[O-])c1OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001230313028 1037216540 /nfs/dbraw/zinc/21/65/40/1037216540.db2.gz SACOWCHIFADFHN-OAHLLOKOSA-N 1 2 373.365 2.783 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@@H+](C)C[C@@H]2CC(C)C)cc1C ZINC001213834740 1040976650 /nfs/dbraw/zinc/97/66/50/1040976650.db2.gz SXWQMJWXXBCQLH-HNNXBMFYSA-N 1 2 369.487 2.562 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@H+](C)C[C@@H]2CC(C)C)cc1C ZINC001213834740 1040976670 /nfs/dbraw/zinc/97/66/70/1040976670.db2.gz SXWQMJWXXBCQLH-HNNXBMFYSA-N 1 2 369.487 2.562 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCc2nc(F)ccc21 ZINC001279195588 1042941233 /nfs/dbraw/zinc/94/12/33/1042941233.db2.gz FKYRTXAFRZYFQR-UHFFFAOYSA-N 1 2 353.313 2.518 20 5 FFBDLO O=C(CC[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1)N1CCc2sccc2C1 ZINC001322156081 1045972735 /nfs/dbraw/zinc/97/27/35/1045972735.db2.gz AIGDNPMNNQQPHK-UHFFFAOYSA-N 1 2 357.435 2.947 20 5 FFBDLO O=C(CC[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1)N1CCc2sccc2C1 ZINC001322156081 1045972750 /nfs/dbraw/zinc/97/27/50/1045972750.db2.gz AIGDNPMNNQQPHK-UHFFFAOYSA-N 1 2 357.435 2.947 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)n1 ZINC001540149206 1070772628 /nfs/dbraw/zinc/77/26/28/1070772628.db2.gz IXOAJSBHCGFGTA-INIZCTEOSA-N 1 2 365.393 2.746 20 5 FFBDLO Cc1noc([C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C(C)C)n1 ZINC001540310240 1070833408 /nfs/dbraw/zinc/83/34/08/1070833408.db2.gz KNNBWBMROURBQD-HNNXBMFYSA-N 1 2 370.369 2.599 20 5 FFBDLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC001302596227 1051147027 /nfs/dbraw/zinc/14/70/27/1051147027.db2.gz AZAIQMRPIXTERB-OAHLLOKOSA-N 1 2 369.406 2.516 20 5 FFBDLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC001302596227 1051147033 /nfs/dbraw/zinc/14/70/33/1051147033.db2.gz AZAIQMRPIXTERB-OAHLLOKOSA-N 1 2 369.406 2.516 20 5 FFBDLO CN(CCCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1cccc[nH+]1 ZINC001302975227 1051245213 /nfs/dbraw/zinc/24/52/13/1051245213.db2.gz OHOCHZJWKHTVQA-UHFFFAOYSA-N 1 2 367.409 2.587 20 5 FFBDLO O=C1NCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1CC1CCCCC1 ZINC001307855221 1052357042 /nfs/dbraw/zinc/35/70/42/1052357042.db2.gz QAJJEFNRNBTKCL-GOSISDBHSA-N 1 2 361.442 2.744 20 5 FFBDLO O=C1NCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1CC1CCCCC1 ZINC001307855221 1052357048 /nfs/dbraw/zinc/35/70/48/1052357048.db2.gz QAJJEFNRNBTKCL-GOSISDBHSA-N 1 2 361.442 2.744 20 5 FFBDLO Cc1noc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1[N+](=O)[O-] ZINC001308034833 1052388894 /nfs/dbraw/zinc/38/88/94/1052388894.db2.gz MWWNEGDBYMRHRF-RISCZKNCSA-N 1 2 359.304 2.515 20 5 FFBDLO C[C@H](NC(=O)N1CCC(c2c[nH+]cn2C)CC1)c1cccc([N+](=O)[O-])c1 ZINC001520715377 1059990481 /nfs/dbraw/zinc/99/04/81/1059990481.db2.gz QSCRTJIAMBATHT-ZDUSSCGKSA-N 1 2 357.414 2.979 20 5 FFBDLO Cc1cnc(OC2CC[NH+](Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)nc1 ZINC000848493931 1060154580 /nfs/dbraw/zinc/15/45/80/1060154580.db2.gz MTIVHBAVPWCRCK-UHFFFAOYSA-N 1 2 368.397 2.544 20 5 FFBDLO Cc1cc(NCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)nc(C(C)C)[nH+]1 ZINC000600367205 1060317516 /nfs/dbraw/zinc/31/75/16/1060317516.db2.gz PTYXLZVLDUCYQK-UHFFFAOYSA-N 1 2 361.377 2.798 20 5 FFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)Cc1cccc(=O)[nH]1 ZINC001460833926 1061121414 /nfs/dbraw/zinc/12/14/14/1061121414.db2.gz ZPUYPWNLRRECAO-JTQLQIEISA-N 1 2 364.789 2.808 20 5 FFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC001460833926 1061121416 /nfs/dbraw/zinc/12/14/16/1061121416.db2.gz ZPUYPWNLRRECAO-JTQLQIEISA-N 1 2 364.789 2.808 20 5 FFBDLO Cn1ncc(C(=O)OC(C)(C)C)c1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC001462218170 1061542544 /nfs/dbraw/zinc/54/25/44/1061542544.db2.gz GPHURNGTYBDNTK-UHFFFAOYSA-N 1 2 374.441 2.958 20 5 FFBDLO Cn1ncc(C(=O)OC(C)(C)C)c1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC001462218170 1061542559 /nfs/dbraw/zinc/54/25/59/1061542559.db2.gz GPHURNGTYBDNTK-UHFFFAOYSA-N 1 2 374.441 2.958 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)n1 ZINC001462452685 1061629824 /nfs/dbraw/zinc/62/98/24/1061629824.db2.gz BEXRAJOBGVSUQZ-QGZVFWFLSA-N 1 2 351.366 2.666 20 5 FFBDLO CC1(C)CCC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)O1 ZINC001463234421 1062007036 /nfs/dbraw/zinc/00/70/36/1062007036.db2.gz PHNMKFZHBIYRMS-CQSZACIVSA-N 1 2 358.398 2.858 20 5 FFBDLO Cn1c[nH+]cc1C1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC001529280149 1062249010 /nfs/dbraw/zinc/24/90/10/1062249010.db2.gz HNLSELYSVGBACA-UHFFFAOYSA-N 1 2 365.393 2.896 20 5 FFBDLO Cc1cccc([C@H](O)CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c1 ZINC001465963055 1063279515 /nfs/dbraw/zinc/27/95/15/1063279515.db2.gz INJUHEUIOGKYQS-GOSISDBHSA-N 1 2 366.377 2.552 20 5 FFBDLO O=C1OCC[C@H]1[NH+]1CCC(Nc2cccc(C(F)(F)F)c2[N+](=O)[O-])CC1 ZINC001472732431 1065136274 /nfs/dbraw/zinc/13/62/74/1065136274.db2.gz BTXXLHPJDNOWQE-CYBMUJFWSA-N 1 2 373.331 2.805 20 5 FFBDLO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001474060809 1065449010 /nfs/dbraw/zinc/44/90/10/1065449010.db2.gz BJPMDCKOBHMODW-QMTHXVAHSA-N 1 2 354.248 2.930 20 5 FFBDLO Cc1ncccc1NC(=O)[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001474565101 1065553832 /nfs/dbraw/zinc/55/38/32/1065553832.db2.gz FBCQIYVLLFYGRU-NSHDSACASA-N 1 2 355.354 2.556 20 5 FFBDLO O=C(NCc1cccc2c1OCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001585104346 1079425835 /nfs/dbraw/zinc/42/58/35/1079425835.db2.gz WMGXMSIEMLKOCL-UHFFFAOYSA-N 1 2 364.361 2.645 20 5 FFBDLO CNc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC001570670272 1077220791 /nfs/dbraw/zinc/22/07/91/1077220791.db2.gz CJRJCECVJLHCQF-GFCCVEGCSA-N 1 2 357.292 2.965 20 5 FFBDLO Cc1cc(C[C@@H](C)[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000272586840 252074696 /nfs/dbraw/zinc/07/46/96/252074696.db2.gz ZHNFVBHJJFSIHO-PXAZEXFGSA-N 1 2 354.414 2.670 20 5 FFBDLO COc1cc(C[NH2+]Cc2cc(C)no2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272625466 252083738 /nfs/dbraw/zinc/08/37/38/252083738.db2.gz MJTRLZCQGMEOEX-UHFFFAOYSA-N 1 2 357.313 2.834 20 5 FFBDLO COc1ccc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000272845257 252145184 /nfs/dbraw/zinc/14/51/84/252145184.db2.gz PFJAJNQUSHAEFK-WFASDCNBSA-N 1 2 359.386 2.915 20 5 FFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000033324067 208085562 /nfs/dbraw/zinc/08/55/62/208085562.db2.gz FHTCCXVIZMFBSW-DAXSKMNVSA-N 1 2 365.433 2.995 20 5 FFBDLO C[C@H](c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N)c1)[NH+]1CCOCC1 ZINC000276310470 256089082 /nfs/dbraw/zinc/08/90/82/256089082.db2.gz FKOKZGJTTPURSF-CYBMUJFWSA-N 1 2 370.409 2.823 20 5 FFBDLO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCCn1cc[nH+]c1 ZINC000278335328 256301619 /nfs/dbraw/zinc/30/16/19/256301619.db2.gz CBFXMEGNQWPEMG-UHFFFAOYSA-N 1 2 351.235 2.953 20 5 FFBDLO CCc1cc(N)nc(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)[nH+]1 ZINC000279070215 256378075 /nfs/dbraw/zinc/37/80/75/256378075.db2.gz JWBYDGVLEVJUQD-SNVBAGLBSA-N 1 2 361.427 2.957 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](N[C@H](CCO)c1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000286218478 257026344 /nfs/dbraw/zinc/02/63/44/257026344.db2.gz SGHBKCLJBLJOFV-WBVHZDCISA-N 1 2 356.382 2.724 20 5 FFBDLO COc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c([N+](=O)[O-])cc1F ZINC000286664786 257048472 /nfs/dbraw/zinc/04/84/72/257048472.db2.gz UVMFRMCEPBWWEF-MNOVXSKESA-N 1 2 366.311 2.735 20 5 FFBDLO COc1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c([N+](=O)[O-])cc1F ZINC000286664786 257048473 /nfs/dbraw/zinc/04/84/73/257048473.db2.gz UVMFRMCEPBWWEF-MNOVXSKESA-N 1 2 366.311 2.735 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC(F)(F)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000289693702 257294435 /nfs/dbraw/zinc/29/44/35/257294435.db2.gz GZTJAIDYQWMONZ-NSHDSACASA-N 1 2 357.357 2.909 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+]2CCC(F)(F)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000289693702 257294436 /nfs/dbraw/zinc/29/44/36/257294436.db2.gz GZTJAIDYQWMONZ-NSHDSACASA-N 1 2 357.357 2.909 20 5 FFBDLO Cn1nc(Br)c2c1nc[nH+]c2NCc1cccc([N+](=O)[O-])c1 ZINC000301149403 258029522 /nfs/dbraw/zinc/02/95/22/258029522.db2.gz IYULURBGSOGODX-UHFFFAOYSA-N 1 2 363.175 2.646 20 5 FFBDLO O=[N+]([O-])c1ccccc1N1CCN(c2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000301281607 258039533 /nfs/dbraw/zinc/03/95/33/258039533.db2.gz KPUCTGAVRHGHQT-UHFFFAOYSA-N 1 2 354.414 2.533 20 5 FFBDLO O=[N+]([O-])c1ccccc1N1CCN(c2cc(NCC3CC3)nc[nH+]2)CC1 ZINC000301281607 258039534 /nfs/dbraw/zinc/03/95/34/258039534.db2.gz KPUCTGAVRHGHQT-UHFFFAOYSA-N 1 2 354.414 2.533 20 5 FFBDLO Cc1cc(NCc2nc(CO)cs2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302404286 258100688 /nfs/dbraw/zinc/10/06/88/258100688.db2.gz FPHFEMHZHNAEON-UHFFFAOYSA-N 1 2 357.395 2.921 20 5 FFBDLO O=[N+]([O-])c1c2cccnc2ccc1N1CCC([C@H](O)c2[nH]cc[nH+]2)CC1 ZINC000302759991 258109914 /nfs/dbraw/zinc/10/99/14/258109914.db2.gz JTVVAVMPVJSICM-KRWDZBQOSA-N 1 2 353.382 2.816 20 5 FFBDLO C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312944060 258115475 /nfs/dbraw/zinc/11/54/75/258115475.db2.gz GVPKONGZUNOABN-HOCLYGCPSA-N 1 2 369.421 2.941 20 5 FFBDLO C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312944060 258115476 /nfs/dbraw/zinc/11/54/76/258115476.db2.gz GVPKONGZUNOABN-HOCLYGCPSA-N 1 2 369.421 2.941 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)c1 ZINC000301593479 258057865 /nfs/dbraw/zinc/05/78/65/258057865.db2.gz ZXPPYSJKEMAEFR-IRXDYDNUSA-N 1 2 374.485 2.530 20 5 FFBDLO CC(C)(C)[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1O ZINC000330856203 258171835 /nfs/dbraw/zinc/17/18/35/258171835.db2.gz NNMOEOCOZBFXRG-DOMZBBRYSA-N 1 2 369.849 2.916 20 5 FFBDLO CC(C)(C)[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1O ZINC000330856203 258171836 /nfs/dbraw/zinc/17/18/36/258171836.db2.gz NNMOEOCOZBFXRG-DOMZBBRYSA-N 1 2 369.849 2.916 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H]2CCCCN2C[C@@H]1C ZINC000331980676 258208666 /nfs/dbraw/zinc/20/86/66/258208666.db2.gz FHXJGHDTRNFKDV-DOTOQJQBSA-N 1 2 360.458 2.790 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H]2CCCCN2C[C@@H]1C ZINC000331980676 258208667 /nfs/dbraw/zinc/20/86/67/258208667.db2.gz FHXJGHDTRNFKDV-DOTOQJQBSA-N 1 2 360.458 2.790 20 5 FFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000332678606 258239998 /nfs/dbraw/zinc/23/99/98/258239998.db2.gz TYFNWPSSHHPLPK-LBPRGKRZSA-N 1 2 357.414 2.537 20 5 FFBDLO O=C1[C@@H]([NH+]2CCC(C(F)(F)F)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000331683376 258196434 /nfs/dbraw/zinc/19/64/34/258196434.db2.gz QPJFHWSNDJVSNJ-AWEZNQCLSA-N 1 2 357.332 2.974 20 5 FFBDLO Cc1cc(N2CC[S@](=O)CC[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000373030007 512139658 /nfs/dbraw/zinc/13/96/58/512139658.db2.gz OHYIPGUSHSXKGN-YMXBGEKHSA-N 1 2 360.439 2.708 20 5 FFBDLO CN(CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000032054530 506226895 /nfs/dbraw/zinc/22/68/95/506226895.db2.gz MXCADNSQCZOTLD-UHFFFAOYSA-N 1 2 365.393 2.647 20 5 FFBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000032236732 506235652 /nfs/dbraw/zinc/23/56/52/506235652.db2.gz GGLXQKHMEMPJSP-UHFFFAOYSA-N 1 2 364.365 2.559 20 5 FFBDLO Cc1cccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC000032252091 506237857 /nfs/dbraw/zinc/23/78/57/506237857.db2.gz WUOOAIVXBKGUSN-QGZVFWFLSA-N 1 2 369.421 2.534 20 5 FFBDLO Cc1cccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC000032252091 506237863 /nfs/dbraw/zinc/23/78/63/506237863.db2.gz WUOOAIVXBKGUSN-QGZVFWFLSA-N 1 2 369.421 2.534 20 5 FFBDLO COc1cc(C)c(C[N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000007452793 506564417 /nfs/dbraw/zinc/56/44/17/506564417.db2.gz PMYIVUGJCVTNMA-UHFFFAOYSA-N 1 2 373.409 2.991 20 5 FFBDLO COc1cc(C)c(C[N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000007452793 506564425 /nfs/dbraw/zinc/56/44/25/506564425.db2.gz PMYIVUGJCVTNMA-UHFFFAOYSA-N 1 2 373.409 2.991 20 5 FFBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000054647481 506594907 /nfs/dbraw/zinc/59/49/07/506594907.db2.gz UTMYCMQBPLZSNZ-UHFFFAOYSA-N 1 2 369.425 2.632 20 5 FFBDLO CC(C)(NC(=O)C1CC[NH+](CC(F)F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000410557695 512291940 /nfs/dbraw/zinc/29/19/40/512291940.db2.gz OFAGNHFGUWICRW-UHFFFAOYSA-N 1 2 355.385 2.923 20 5 FFBDLO O=C(CCNc1ccccc1[N+](=O)[O-])NCc1ccc(N2CCCC2)[nH+]c1 ZINC000043759062 506776379 /nfs/dbraw/zinc/77/63/79/506776379.db2.gz IZAKUQQRMJZKEZ-UHFFFAOYSA-N 1 2 369.425 2.708 20 5 FFBDLO Cc1[nH+]c2ccccc2n1CCCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000067948827 507064260 /nfs/dbraw/zinc/06/42/60/507064260.db2.gz SPPGRNAFGZUSPK-UHFFFAOYSA-N 1 2 353.382 2.854 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCN(c4ccccc4)CC3)o2)cc1 ZINC000016445838 507091138 /nfs/dbraw/zinc/09/11/38/507091138.db2.gz LFWIZEOSGMSSEX-UHFFFAOYSA-N 1 2 365.393 2.967 20 5 FFBDLO C[C@@H](C(=O)NCC1CCCCC1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000016564737 507096031 /nfs/dbraw/zinc/09/60/31/507096031.db2.gz HICMNJLLIADYGP-INIZCTEOSA-N 1 2 374.485 2.802 20 5 FFBDLO NC(=O)c1ccc(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000022201498 507283599 /nfs/dbraw/zinc/28/35/99/507283599.db2.gz QVNMEGJMZFXUHZ-UHFFFAOYSA-N 1 2 365.393 2.954 20 5 FFBDLO Cc1cccc2[nH+]c(CNc3c([N+](=O)[O-])cc(CO)c(C)c3[N+](=O)[O-])cn21 ZINC000068772209 507320338 /nfs/dbraw/zinc/32/03/38/507320338.db2.gz VTTRLLLACRZBKC-UHFFFAOYSA-N 1 2 371.353 2.872 20 5 FFBDLO COc1ccc(C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)cc1[N+](=O)[O-] ZINC000057756219 507321908 /nfs/dbraw/zinc/32/19/08/507321908.db2.gz CJILTGYPVOXUOK-UHFFFAOYSA-N 1 2 372.303 2.634 20 5 FFBDLO Cc1cccc(C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)c1[N+](=O)[O-] ZINC000057756766 507322752 /nfs/dbraw/zinc/32/27/52/507322752.db2.gz HULROQPNWPUKCJ-UHFFFAOYSA-N 1 2 356.304 2.934 20 5 FFBDLO Cc1c(C(=O)NCc2ccccc2C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000023956021 507381730 /nfs/dbraw/zinc/38/17/30/507381730.db2.gz ALBJAPBKEMEYAA-UHFFFAOYSA-N 1 2 369.421 2.665 20 5 FFBDLO C[C@H](C(=O)NC1CCC(C)CC1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047742799 507387510 /nfs/dbraw/zinc/38/75/10/507387510.db2.gz GVBJNEZMMKJNCZ-AQFXKWCLSA-N 1 2 374.485 2.800 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1ccccn1)C(C)C ZINC000048273094 507492561 /nfs/dbraw/zinc/49/25/61/507492561.db2.gz ABGQTWQKCDIMRL-UHFFFAOYSA-N 1 2 358.398 2.848 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccccn1)C(C)C ZINC000048273094 507492569 /nfs/dbraw/zinc/49/25/69/507492569.db2.gz ABGQTWQKCDIMRL-UHFFFAOYSA-N 1 2 358.398 2.848 20 5 FFBDLO C[NH+](C)[C@@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccsc1 ZINC000026719962 507603721 /nfs/dbraw/zinc/60/37/21/507603721.db2.gz IMYMJUZKRXYXFU-HNNXBMFYSA-N 1 2 369.468 2.775 20 5 FFBDLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000027480183 507660569 /nfs/dbraw/zinc/66/05/69/507660569.db2.gz OQKARZDWIJNAML-UHFFFAOYSA-N 1 2 350.378 2.812 20 5 FFBDLO Cc1ccc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC000028082319 507707767 /nfs/dbraw/zinc/70/77/67/507707767.db2.gz ZDKUEQBMUNJDDT-UHFFFAOYSA-N 1 2 358.379 2.890 20 5 FFBDLO Cc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)on1 ZINC000028743437 507741095 /nfs/dbraw/zinc/74/10/95/507741095.db2.gz HUVBSTRHIRBJQE-UHFFFAOYSA-N 1 2 353.382 2.762 20 5 FFBDLO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000072067348 507744466 /nfs/dbraw/zinc/74/44/66/507744466.db2.gz QUXIIUBDWYLBJJ-UHFFFAOYSA-N 1 2 356.382 2.650 20 5 FFBDLO CC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)[N@@H+]1CCc2ccccc2C1 ZINC000029911573 507795661 /nfs/dbraw/zinc/79/56/61/507795661.db2.gz YQBAOHGBLMWIHR-KRWDZBQOSA-N 1 2 369.421 2.867 20 5 FFBDLO CC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)[N@H+]1CCc2ccccc2C1 ZINC000029911573 507795663 /nfs/dbraw/zinc/79/56/63/507795663.db2.gz YQBAOHGBLMWIHR-KRWDZBQOSA-N 1 2 369.421 2.867 20 5 FFBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000030298007 507805856 /nfs/dbraw/zinc/80/58/56/507805856.db2.gz QXFBUSFVAQXCIP-UHFFFAOYSA-N 1 2 369.425 2.586 20 5 FFBDLO CN(Cc1cn2c([nH+]1)CCCC2)c1c(Br)cncc1[N+](=O)[O-] ZINC000369346361 512361739 /nfs/dbraw/zinc/36/17/39/512361739.db2.gz UHCSYIVNUGLNKF-UHFFFAOYSA-N 1 2 366.219 2.922 20 5 FFBDLO COc1ccc(C(=O)N2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000052530846 507812671 /nfs/dbraw/zinc/81/26/71/507812671.db2.gz SUZAPCWZJGHTRL-UHFFFAOYSA-N 1 2 369.421 2.604 20 5 FFBDLO Cc1ccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000078072633 507830737 /nfs/dbraw/zinc/83/07/37/507830737.db2.gz SJWKMHQWNNXIHS-GOSISDBHSA-N 1 2 355.394 2.743 20 5 FFBDLO Cc1ccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000078072633 507830738 /nfs/dbraw/zinc/83/07/38/507830738.db2.gz SJWKMHQWNNXIHS-GOSISDBHSA-N 1 2 355.394 2.743 20 5 FFBDLO CC(C)CCc1noc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000072665050 507840008 /nfs/dbraw/zinc/84/00/08/507840008.db2.gz NTLPQVCIVUSIKB-ZDUSSCGKSA-N 1 2 360.418 2.648 20 5 FFBDLO CC(C)CCc1noc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000072665050 507840010 /nfs/dbraw/zinc/84/00/10/507840010.db2.gz NTLPQVCIVUSIKB-ZDUSSCGKSA-N 1 2 360.418 2.648 20 5 FFBDLO Cn1c2ccc(NC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)cc2[nH+]c1C1CC1 ZINC000089869107 507876920 /nfs/dbraw/zinc/87/69/20/507876920.db2.gz KPBGZKSZORONQX-UHFFFAOYSA-N 1 2 368.397 2.929 20 5 FFBDLO Cc1cccn2cc(CNc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])[nH+]c12 ZINC000092826064 508103357 /nfs/dbraw/zinc/10/33/57/508103357.db2.gz GSDGIJVVNJFFND-UHFFFAOYSA-N 1 2 360.395 2.567 20 5 FFBDLO CCOC(=O)c1ccnc(NCc2cn3cccc(C)c3[nH+]2)c1[N+](=O)[O-] ZINC000092826049 508103626 /nfs/dbraw/zinc/10/36/26/508103626.db2.gz ZUQSFFDLICQDMG-UHFFFAOYSA-N 1 2 355.354 2.735 20 5 FFBDLO Cc1c(C[NH+]2CCN(C(=O)c3ccccc3O)CC2)cccc1[N+](=O)[O-] ZINC000080929771 508113325 /nfs/dbraw/zinc/11/33/25/508113325.db2.gz SMOVDUCWQLCUBM-UHFFFAOYSA-N 1 2 355.394 2.567 20 5 FFBDLO CCO[C@H](C)c1noc(C[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)n1 ZINC000075887400 508140512 /nfs/dbraw/zinc/14/05/12/508140512.db2.gz YPSXZCRGYYXXFB-GFCCVEGCSA-N 1 2 350.375 2.586 20 5 FFBDLO CCO[C@H](C)c1noc(C[N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)n1 ZINC000075887400 508140515 /nfs/dbraw/zinc/14/05/15/508140515.db2.gz YPSXZCRGYYXXFB-GFCCVEGCSA-N 1 2 350.375 2.586 20 5 FFBDLO Cc1ccc(C[N@@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000093666804 508151555 /nfs/dbraw/zinc/15/15/55/508151555.db2.gz ZENOCRWONCOZIX-QGZVFWFLSA-N 1 2 361.442 2.507 20 5 FFBDLO Cc1ccc(C[N@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000093666804 508151558 /nfs/dbraw/zinc/15/15/58/508151558.db2.gz ZENOCRWONCOZIX-QGZVFWFLSA-N 1 2 361.442 2.507 20 5 FFBDLO O=C(NCc1[nH+]ccn1CCCc1ccccc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000081522002 508185351 /nfs/dbraw/zinc/18/53/51/508185351.db2.gz GYHFEGJMFLQNTK-UHFFFAOYSA-N 1 2 353.382 2.682 20 5 FFBDLO CCc1ccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000081848500 508217004 /nfs/dbraw/zinc/21/70/04/508217004.db2.gz QNKNYLJNYWNBGP-UHFFFAOYSA-N 1 2 354.410 2.951 20 5 FFBDLO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113349761 508261426 /nfs/dbraw/zinc/26/14/26/508261426.db2.gz WEUIGPKSAJNLQX-LLVKDONJSA-N 1 2 369.468 2.631 20 5 FFBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000367237494 512401474 /nfs/dbraw/zinc/40/14/74/512401474.db2.gz LAQXUBRTKFHXMA-GUYCJALGSA-N 1 2 372.450 2.644 20 5 FFBDLO CC(C)C[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000134541889 508545877 /nfs/dbraw/zinc/54/58/77/508545877.db2.gz UZKSQAISHXSOQF-MRXNPFEDSA-N 1 2 369.849 2.725 20 5 FFBDLO COc1ccc(CN(C)C(=O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000153289311 508568403 /nfs/dbraw/zinc/56/84/03/508568403.db2.gz SOUSJTCBTMJOJB-UHFFFAOYSA-N 1 2 369.421 2.620 20 5 FFBDLO COc1ccc(CN(C)C(=O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000153289311 508568409 /nfs/dbraw/zinc/56/84/09/508568409.db2.gz SOUSJTCBTMJOJB-UHFFFAOYSA-N 1 2 369.421 2.620 20 5 FFBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)c1 ZINC000153934267 508680406 /nfs/dbraw/zinc/68/04/06/508680406.db2.gz YTBMZQFMISNCOJ-ROUUACIJSA-N 1 2 364.348 2.980 20 5 FFBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)c1 ZINC000153934267 508680409 /nfs/dbraw/zinc/68/04/09/508680409.db2.gz YTBMZQFMISNCOJ-ROUUACIJSA-N 1 2 364.348 2.980 20 5 FFBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000119297216 508766937 /nfs/dbraw/zinc/76/69/37/508766937.db2.gz CRWMNXQQAZAMCN-CYBMUJFWSA-N 1 2 367.409 2.905 20 5 FFBDLO C[C@H]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H]1n1cc[nH+]c1 ZINC000124973690 508912856 /nfs/dbraw/zinc/91/28/56/508912856.db2.gz PWYUHVZGLVVVIU-YVEFUNNKSA-N 1 2 353.382 2.996 20 5 FFBDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000120079603 508923930 /nfs/dbraw/zinc/92/39/30/508923930.db2.gz DEMLYIABQKBNMW-NSHDSACASA-N 1 2 362.386 2.835 20 5 FFBDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000120079603 508923933 /nfs/dbraw/zinc/92/39/33/508923933.db2.gz DEMLYIABQKBNMW-NSHDSACASA-N 1 2 362.386 2.835 20 5 FFBDLO COc1cc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])cc1OC ZINC000125345918 508969714 /nfs/dbraw/zinc/96/97/14/508969714.db2.gz JRILVKXZSJCUKH-SWLSCSKDSA-N 1 2 374.397 2.532 20 5 FFBDLO O=C(COc1ccc([N+](=O)[O-])cc1)NCCNc1ccc2ccccc2[nH+]1 ZINC000126010725 509054308 /nfs/dbraw/zinc/05/43/08/509054308.db2.gz ZWPJBEWNDXPBRB-UHFFFAOYSA-N 1 2 366.377 2.750 20 5 FFBDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000161306160 509100043 /nfs/dbraw/zinc/10/00/43/509100043.db2.gz ZEDHMSPOIGQIHB-OAHLLOKOSA-N 1 2 367.409 2.573 20 5 FFBDLO O=[N+]([O-])c1cccc(CS(=O)(=O)Cc2[nH+]ccn2Cc2ccccc2)c1 ZINC000121301620 509164626 /nfs/dbraw/zinc/16/46/26/509164626.db2.gz CISXJXSZPGNSLH-UHFFFAOYSA-N 1 2 371.418 2.955 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)c1 ZINC000175869678 509187874 /nfs/dbraw/zinc/18/78/74/509187874.db2.gz NJHLPSSNZSMXQI-UHFFFAOYSA-N 1 2 355.394 2.567 20 5 FFBDLO CN(C(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000198146514 509221725 /nfs/dbraw/zinc/22/17/25/509221725.db2.gz YJUFDBFAOPJJBE-UHFFFAOYSA-N 1 2 372.400 2.519 20 5 FFBDLO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263909435 509222151 /nfs/dbraw/zinc/22/21/51/509222151.db2.gz AYXLGPRJRHFZQW-OAHLLOKOSA-N 1 2 369.425 2.938 20 5 FFBDLO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](c2ccccc2)O1 ZINC000248456231 509330060 /nfs/dbraw/zinc/33/00/60/509330060.db2.gz LLINKHXHCPXZNH-WRWLIDTKSA-N 1 2 372.421 2.797 20 5 FFBDLO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](c2ccccc2)O1 ZINC000248456231 509330065 /nfs/dbraw/zinc/33/00/65/509330065.db2.gz LLINKHXHCPXZNH-WRWLIDTKSA-N 1 2 372.421 2.797 20 5 FFBDLO CC(C)Cn1ccnc1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000173028337 509358498 /nfs/dbraw/zinc/35/84/98/509358498.db2.gz AMAJSAGDUIATHZ-UHFFFAOYSA-N 1 2 368.397 2.563 20 5 FFBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCCCNc1cccc[nH+]1 ZINC000264219402 509390106 /nfs/dbraw/zinc/39/01/06/509390106.db2.gz XZCPHBPRYLUHLQ-UHFFFAOYSA-N 1 2 357.414 2.678 20 5 FFBDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176269715 509413839 /nfs/dbraw/zinc/41/38/39/509413839.db2.gz FWNMXAJIUMKHBL-AWEZNQCLSA-N 1 2 363.849 2.824 20 5 FFBDLO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000192498918 509541158 /nfs/dbraw/zinc/54/11/58/509541158.db2.gz CTXDORHTQAOMTO-STQMWFEESA-N 1 2 374.445 2.740 20 5 FFBDLO COc1ccccc1[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192636481 509575756 /nfs/dbraw/zinc/57/57/56/509575756.db2.gz UTWCMFLWWMDUDK-AWEZNQCLSA-N 1 2 357.410 2.913 20 5 FFBDLO COc1ccccc1[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192636481 509575767 /nfs/dbraw/zinc/57/57/67/509575767.db2.gz UTWCMFLWWMDUDK-AWEZNQCLSA-N 1 2 357.410 2.913 20 5 FFBDLO C[C@H](c1cccc(O)c1)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000264685949 509647267 /nfs/dbraw/zinc/64/72/67/509647267.db2.gz FDQLUGNCIRPDJE-LLVKDONJSA-N 1 2 373.365 2.661 20 5 FFBDLO C[C@H](c1cccc(O)c1)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000264685949 509647269 /nfs/dbraw/zinc/64/72/69/509647269.db2.gz FDQLUGNCIRPDJE-LLVKDONJSA-N 1 2 373.365 2.661 20 5 FFBDLO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1C ZINC000251694413 509816912 /nfs/dbraw/zinc/81/69/12/509816912.db2.gz JPNIIFFTPXFQIM-UEKVPHQBSA-N 1 2 355.822 2.932 20 5 FFBDLO CO[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1C ZINC000251694413 509816914 /nfs/dbraw/zinc/81/69/14/509816914.db2.gz JPNIIFFTPXFQIM-UEKVPHQBSA-N 1 2 355.822 2.932 20 5 FFBDLO C[C@@H]1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000268231569 509826178 /nfs/dbraw/zinc/82/61/78/509826178.db2.gz FROBUUFBGDFFNG-FZKQIMNGSA-N 1 2 369.425 2.771 20 5 FFBDLO COc1cc(F)cc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000180241854 509828547 /nfs/dbraw/zinc/82/85/47/509828547.db2.gz OJSZUEHJHAYXAL-UHFFFAOYSA-N 1 2 370.340 2.858 20 5 FFBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000180256837 509836221 /nfs/dbraw/zinc/83/62/21/509836221.db2.gz GTXUMFIZUPAUQB-UHFFFAOYSA-N 1 2 374.422 2.592 20 5 FFBDLO C[C@@H]1CN(c2ccc(CNC(=O)Nc3ccc([N+](=O)[O-])cc3)c[nH+]2)CCO1 ZINC000193316221 509862829 /nfs/dbraw/zinc/86/28/29/509862829.db2.gz CQGFQVFKONTEMM-CYBMUJFWSA-N 1 2 371.397 2.537 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccncc1[N+](=O)[O-])c1cccc(F)c1 ZINC000183577120 509867870 /nfs/dbraw/zinc/86/78/70/509867870.db2.gz IGSQNWJQPLTKJC-OAHLLOKOSA-N 1 2 370.344 2.774 20 5 FFBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000265142036 509885802 /nfs/dbraw/zinc/88/58/02/509885802.db2.gz JMGINKBGHFVRHI-AWEZNQCLSA-N 1 2 355.398 2.901 20 5 FFBDLO COc1ccc(C[N@H+](C)CC(=O)Nc2cc(F)cc(F)c2)cc1[N+](=O)[O-] ZINC000171040924 509903720 /nfs/dbraw/zinc/90/37/20/509903720.db2.gz KKQMPTQDRJEBQM-UHFFFAOYSA-N 1 2 365.336 2.952 20 5 FFBDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2cc(F)cc(F)c2)cc1[N+](=O)[O-] ZINC000171040924 509903727 /nfs/dbraw/zinc/90/37/27/509903727.db2.gz KKQMPTQDRJEBQM-UHFFFAOYSA-N 1 2 365.336 2.952 20 5 FFBDLO CCc1ccc(C(=O)N2CC[NH+](Cc3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000174032195 509914659 /nfs/dbraw/zinc/91/46/59/509914659.db2.gz QVOQGUUFPQDWNK-UHFFFAOYSA-N 1 2 354.410 2.510 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c([N+](=O)[O-])c1 ZINC000193583368 509976242 /nfs/dbraw/zinc/97/62/42/509976242.db2.gz KLXQCKMRKOYYJG-OLZOCXBDSA-N 1 2 373.413 2.533 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c([N+](=O)[O-])c1 ZINC000193583368 509976244 /nfs/dbraw/zinc/97/62/44/509976244.db2.gz KLXQCKMRKOYYJG-OLZOCXBDSA-N 1 2 373.413 2.533 20 5 FFBDLO C[C@H](C(=O)NCc1ccnc(-n2cc[nH+]c2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000183914537 510037696 /nfs/dbraw/zinc/03/76/96/510037696.db2.gz SPDKODKPGAPKIF-LBPRGKRZSA-N 1 2 369.356 2.735 20 5 FFBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000245737747 510117101 /nfs/dbraw/zinc/11/71/01/510117101.db2.gz DKACCRIUQOPONQ-RTBURBONSA-N 1 2 373.453 2.729 20 5 FFBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000245737747 510117110 /nfs/dbraw/zinc/11/71/10/510117110.db2.gz DKACCRIUQOPONQ-RTBURBONSA-N 1 2 373.453 2.729 20 5 FFBDLO CC1CCN(c2ccc(C(=O)NCCc3[nH]cc[nH+]3)cc2[N+](=O)[O-])CC1 ZINC000174750935 510290424 /nfs/dbraw/zinc/29/04/24/510290424.db2.gz PCMQJVFRHIXHTE-UHFFFAOYSA-N 1 2 357.414 2.527 20 5 FFBDLO Cc1ncsc1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000171690916 510309696 /nfs/dbraw/zinc/30/96/96/510309696.db2.gz CVYJLVSCUNCERF-UHFFFAOYSA-N 1 2 357.395 2.818 20 5 FFBDLO COc1ccc(C)nc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000174788535 510311942 /nfs/dbraw/zinc/31/19/42/510311942.db2.gz RXHJZPVQLIFHEX-UHFFFAOYSA-N 1 2 353.338 2.745 20 5 FFBDLO CCc1n[nH]c(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c1[N+](=O)[O-] ZINC000171825453 510395019 /nfs/dbraw/zinc/39/50/19/510395019.db2.gz NBSBBKSLYLSTFI-UHFFFAOYSA-N 1 2 372.429 2.586 20 5 FFBDLO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000269481333 510428658 /nfs/dbraw/zinc/42/86/58/510428658.db2.gz WEKHRAOODVPVKR-LBPRGKRZSA-N 1 2 360.418 2.678 20 5 FFBDLO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000269481333 510428664 /nfs/dbraw/zinc/42/86/64/510428664.db2.gz WEKHRAOODVPVKR-LBPRGKRZSA-N 1 2 360.418 2.678 20 5 FFBDLO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1O ZINC000184675703 510454865 /nfs/dbraw/zinc/45/48/65/510454865.db2.gz CQRLOUYQDZHZKO-UHFFFAOYSA-N 1 2 373.384 2.834 20 5 FFBDLO O=C(NCCc1ccccc1[N+](=O)[O-])NCc1cc[nH+]c(N2CCCC2)c1 ZINC000266519342 510634312 /nfs/dbraw/zinc/63/43/12/510634312.db2.gz OAQUVAWNKWSOAY-UHFFFAOYSA-N 1 2 369.425 2.632 20 5 FFBDLO COCc1noc([C@@H](C)[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000181929765 510664684 /nfs/dbraw/zinc/66/46/84/510664684.db2.gz PXNCFAYDORQUAG-GFCCVEGCSA-N 1 2 362.386 2.729 20 5 FFBDLO CC(C)CCO[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000181976576 510688658 /nfs/dbraw/zinc/68/86/58/510688658.db2.gz UHIZANNGCBUIJL-MRXNPFEDSA-N 1 2 370.471 2.506 20 5 FFBDLO CC(C)CCO[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000181976576 510688666 /nfs/dbraw/zinc/68/86/66/510688666.db2.gz UHIZANNGCBUIJL-MRXNPFEDSA-N 1 2 370.471 2.506 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3nnc(-c4ccccc4)o3)C2)nc1 ZINC000172358591 510688837 /nfs/dbraw/zinc/68/88/37/510688837.db2.gz RABCHILOROYZRE-AWEZNQCLSA-N 1 2 366.381 2.726 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3nnc(-c4ccccc4)o3)C2)nc1 ZINC000172358591 510688845 /nfs/dbraw/zinc/68/88/45/510688845.db2.gz RABCHILOROYZRE-AWEZNQCLSA-N 1 2 366.381 2.726 20 5 FFBDLO COc1cccc(N2CC[NH+](Cc3cn4ccccc4n3)CC2)c1[N+](=O)[O-] ZINC000185128221 510701861 /nfs/dbraw/zinc/70/18/61/510701861.db2.gz YMGWPOBEEJZJLF-UHFFFAOYSA-N 1 2 367.409 2.573 20 5 FFBDLO COc1cccc(N2CCN(Cc3cn4ccccc4[nH+]3)CC2)c1[N+](=O)[O-] ZINC000185128221 510701867 /nfs/dbraw/zinc/70/18/67/510701867.db2.gz YMGWPOBEEJZJLF-UHFFFAOYSA-N 1 2 367.409 2.573 20 5 FFBDLO O=C(NCc1ccnc(-n2cc[nH+]c2)c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000172424900 510720631 /nfs/dbraw/zinc/72/06/31/510720631.db2.gz FSTGKDONEIMAJZ-UHFFFAOYSA-N 1 2 357.757 2.759 20 5 FFBDLO C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc(C(C)(C)C)no1 ZINC000185162066 510721459 /nfs/dbraw/zinc/72/14/59/510721459.db2.gz ZYBOCRIQDLJXOU-LLVKDONJSA-N 1 2 361.402 2.955 20 5 FFBDLO COc1cccc(NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)c1[N+](=O)[O-] ZINC000185183001 510734524 /nfs/dbraw/zinc/73/45/24/510734524.db2.gz IGKWNJVIQFCQDJ-ZDUSSCGKSA-N 1 2 358.398 2.836 20 5 FFBDLO COc1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000178727795 510741744 /nfs/dbraw/zinc/74/17/44/510741744.db2.gz OHRJCYXQIQEWQB-ZDUSSCGKSA-N 1 2 355.394 2.989 20 5 FFBDLO COc1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000178727795 510741752 /nfs/dbraw/zinc/74/17/52/510741752.db2.gz OHRJCYXQIQEWQB-ZDUSSCGKSA-N 1 2 355.394 2.989 20 5 FFBDLO C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000182223520 510821727 /nfs/dbraw/zinc/82/17/27/510821727.db2.gz KORLVBVSUVAFAH-ZDUSSCGKSA-N 1 2 358.373 2.581 20 5 FFBDLO CCN(CCc1nccs1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178904964 510828830 /nfs/dbraw/zinc/82/88/30/510828830.db2.gz PUEMSESTJZROBS-UHFFFAOYSA-N 1 2 371.422 2.942 20 5 FFBDLO CC(=O)NCC1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000271156716 511101834 /nfs/dbraw/zinc/10/18/34/511101834.db2.gz WGMNNMFPJOZFEU-UHFFFAOYSA-N 1 2 370.247 2.705 20 5 FFBDLO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282813661 511121046 /nfs/dbraw/zinc/12/10/46/511121046.db2.gz OYVINDCPUYRFAE-ZDUSSCGKSA-N 1 2 369.425 2.730 20 5 FFBDLO COc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc(OC)c1O ZINC000298617526 511351004 /nfs/dbraw/zinc/35/10/04/511351004.db2.gz WBGGPBDMXMXCHW-UHFFFAOYSA-N 1 2 373.409 2.640 20 5 FFBDLO C[C@H]1[C@@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000291938641 511398290 /nfs/dbraw/zinc/39/82/90/511398290.db2.gz UEVLNQCSIFQCIF-BBRMVZONSA-N 1 2 355.394 2.693 20 5 FFBDLO C[C@H]1[C@@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000291938641 511398293 /nfs/dbraw/zinc/39/82/93/511398293.db2.gz UEVLNQCSIFQCIF-BBRMVZONSA-N 1 2 355.394 2.693 20 5 FFBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3nc(-c4ccccc4F)no3)CC2)n1 ZINC000365506239 511492664 /nfs/dbraw/zinc/49/26/64/511492664.db2.gz DSHGBWPEIIBGAF-UHFFFAOYSA-N 1 2 372.360 2.818 20 5 FFBDLO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000280734026 511581154 /nfs/dbraw/zinc/58/11/54/511581154.db2.gz IWPZKTFUGSVUKH-AWEZNQCLSA-N 1 2 359.382 2.850 20 5 FFBDLO CN(C(=O)C[N@@H+]1CCCC[C@@H]1c1ccnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000281318935 511803281 /nfs/dbraw/zinc/80/32/81/511803281.db2.gz INHQODYMBQFRKE-QGZVFWFLSA-N 1 2 357.414 2.518 20 5 FFBDLO CN(C(=O)C[N@H+]1CCCC[C@@H]1c1ccnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000281318935 511803286 /nfs/dbraw/zinc/80/32/86/511803286.db2.gz INHQODYMBQFRKE-QGZVFWFLSA-N 1 2 357.414 2.518 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000284821874 511884808 /nfs/dbraw/zinc/88/48/08/511884808.db2.gz AQBKKXTXJCOFRH-DKFQHHCZSA-N 1 2 370.409 2.626 20 5 FFBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000281777994 511963703 /nfs/dbraw/zinc/96/37/03/511963703.db2.gz UEXQBEHXKYYHPD-HNNXBMFYSA-N 1 2 364.427 2.727 20 5 FFBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH+]2CCN(c3cnccn3)CC2)c1 ZINC000293522169 511995901 /nfs/dbraw/zinc/99/59/01/511995901.db2.gz OWVXPSQKHCDEBX-UHFFFAOYSA-N 1 2 367.331 2.726 20 5 FFBDLO Cc1csc(C2([NH2+]CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)CCC2)n1 ZINC000275245839 512086978 /nfs/dbraw/zinc/08/69/78/512086978.db2.gz XUHZDBAIHTYYJW-UHFFFAOYSA-N 1 2 372.450 2.918 20 5 FFBDLO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCn2c[nH+]cc2C1 ZINC000378101309 512590733 /nfs/dbraw/zinc/59/07/33/512590733.db2.gz QKYPJRCIZILASJ-UHFFFAOYSA-N 1 2 355.379 2.571 20 5 FFBDLO COc1ccc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000374028125 512630396 /nfs/dbraw/zinc/63/03/96/512630396.db2.gz PCYJVOJKLCTRRN-GLJUWKHASA-N 1 2 350.415 2.762 20 5 FFBDLO COc1ccc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000374028125 512630398 /nfs/dbraw/zinc/63/03/98/512630398.db2.gz PCYJVOJKLCTRRN-GLJUWKHASA-N 1 2 350.415 2.762 20 5 FFBDLO Cc1cn2c([nH+]1)[C@H](CNc1c(Br)cncc1[N+](=O)[O-])CCC2 ZINC000378338665 512702756 /nfs/dbraw/zinc/70/27/56/512702756.db2.gz WBZQAYLHWBUTJQ-JTQLQIEISA-N 1 2 366.219 2.669 20 5 FFBDLO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCn2c[nH+]cc2C1 ZINC000367907571 512718441 /nfs/dbraw/zinc/71/84/41/512718441.db2.gz SDNFPHCYPGHXNH-UHFFFAOYSA-N 1 2 355.379 2.571 20 5 FFBDLO CC(C)[C@]1(CO)CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000368060157 512784375 /nfs/dbraw/zinc/78/43/75/512784375.db2.gz ZWWWURXREWKIIO-MRXNPFEDSA-N 1 2 355.822 2.527 20 5 FFBDLO CC(C)[C@]1(CO)CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000368060157 512784382 /nfs/dbraw/zinc/78/43/82/512784382.db2.gz ZWWWURXREWKIIO-MRXNPFEDSA-N 1 2 355.822 2.527 20 5 FFBDLO Cc1cn2c([nH+]1)CN([C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000374708955 512965918 /nfs/dbraw/zinc/96/59/18/512965918.db2.gz DTLVMKMAVPATAX-LLVKDONJSA-N 1 2 363.805 2.596 20 5 FFBDLO COc1ccc(CNc2cc(N3CCSCC3)nc[nH+]2)cc1[N+](=O)[O-] ZINC000434075133 513231032 /nfs/dbraw/zinc/23/10/32/513231032.db2.gz NNOSEQAQQGOXCJ-UHFFFAOYSA-N 1 2 361.427 2.559 20 5 FFBDLO COc1ccc(CNc2cc(N3CCSCC3)[nH+]cn2)cc1[N+](=O)[O-] ZINC000434075133 513231037 /nfs/dbraw/zinc/23/10/37/513231037.db2.gz NNOSEQAQQGOXCJ-UHFFFAOYSA-N 1 2 361.427 2.559 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000446698551 513316839 /nfs/dbraw/zinc/31/68/39/513316839.db2.gz VGFSCWLLMHEGFU-UHFFFAOYSA-N 1 2 365.349 2.666 20 5 FFBDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000440533039 513347567 /nfs/dbraw/zinc/34/75/67/513347567.db2.gz MZWICGZDWOZYCW-GOSISDBHSA-N 1 2 367.421 2.630 20 5 FFBDLO CC(C)(C)OC(=O)CN[C@]1(C)CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000440533039 513347571 /nfs/dbraw/zinc/34/75/71/513347571.db2.gz MZWICGZDWOZYCW-GOSISDBHSA-N 1 2 367.421 2.630 20 5 FFBDLO CC(C)(C)OC(=O)CN[C@]1(C)CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000440533039 513347575 /nfs/dbraw/zinc/34/75/75/513347575.db2.gz MZWICGZDWOZYCW-GOSISDBHSA-N 1 2 367.421 2.630 20 5 FFBDLO Cc1cc(N[C@H](C)Cc2cnn(C)c2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450843865 513366150 /nfs/dbraw/zinc/36/61/50/513366150.db2.gz OQAPSFHCCMWAQC-GFCCVEGCSA-N 1 2 352.398 2.559 20 5 FFBDLO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3ccccn3)CC2)c(C(F)(F)F)c1 ZINC000413040448 513401002 /nfs/dbraw/zinc/40/10/02/513401002.db2.gz WIDROKCQWOCXKU-UHFFFAOYSA-N 1 2 367.331 2.726 20 5 FFBDLO CCc1cc(N2CC(C)(C(=O)OC)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000425285363 513490924 /nfs/dbraw/zinc/49/09/24/513490924.db2.gz RYBOJIXJXBJHDB-UHFFFAOYSA-N 1 2 356.382 2.614 20 5 FFBDLO C[NH+](C)[C@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1c(F)cccc1F ZINC000447679762 513539818 /nfs/dbraw/zinc/53/98/18/513539818.db2.gz OVPFEYMPFXIRFF-OAHLLOKOSA-N 1 2 361.352 2.886 20 5 FFBDLO CCC[C@H](CCO)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447805696 513575182 /nfs/dbraw/zinc/57/51/82/513575182.db2.gz JZTVLWIGLVPWSI-OAHLLOKOSA-N 1 2 351.447 2.638 20 5 FFBDLO COC(=O)[C@@H](CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000425455659 513575638 /nfs/dbraw/zinc/57/56/38/513575638.db2.gz IHFQYHYBEJMCEJ-KRWDZBQOSA-N 1 2 355.394 2.695 20 5 FFBDLO COC(=O)[C@@H](CC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000425455659 513575646 /nfs/dbraw/zinc/57/56/46/513575646.db2.gz IHFQYHYBEJMCEJ-KRWDZBQOSA-N 1 2 355.394 2.695 20 5 FFBDLO CC[C@H](C)[C@@](C)(O)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447818704 513581223 /nfs/dbraw/zinc/58/12/23/513581223.db2.gz YJWXHNJRXVVLPI-KSSFIOAISA-N 1 2 351.447 2.636 20 5 FFBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000430269468 513605493 /nfs/dbraw/zinc/60/54/93/513605493.db2.gz QWVRMLWZSRIDFQ-OAHLLOKOSA-N 1 2 357.414 2.726 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCSC[C@@H]2C2CCC2)cc1 ZINC000419373433 513792068 /nfs/dbraw/zinc/79/20/68/513792068.db2.gz MUVNKTFMHOOYED-MRXNPFEDSA-N 1 2 370.496 2.586 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCSC[C@@H]2C2CCC2)cc1 ZINC000419373433 513792077 /nfs/dbraw/zinc/79/20/77/513792077.db2.gz MUVNKTFMHOOYED-MRXNPFEDSA-N 1 2 370.496 2.586 20 5 FFBDLO CCO[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000451544667 513822567 /nfs/dbraw/zinc/82/25/67/513822567.db2.gz QDVHSYOSKWQITH-IAQYHMDHSA-N 1 2 355.822 2.934 20 5 FFBDLO CCO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000451544667 513822575 /nfs/dbraw/zinc/82/25/75/513822575.db2.gz QDVHSYOSKWQITH-IAQYHMDHSA-N 1 2 355.822 2.934 20 5 FFBDLO O=C(NCC1(C(F)(F)F)CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451707549 513927848 /nfs/dbraw/zinc/92/78/48/513927848.db2.gz ANHIOEAKYOKOPH-UHFFFAOYSA-N 1 2 354.288 2.853 20 5 FFBDLO Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2O)[NH+]2CCCC2)o1 ZINC000436670718 513937351 /nfs/dbraw/zinc/93/73/51/513937351.db2.gz SLQMQYJKGHBYIL-HNNXBMFYSA-N 1 2 359.382 2.769 20 5 FFBDLO Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2O)[NH+]2CCCC2)o1 ZINC000436670919 513937709 /nfs/dbraw/zinc/93/77/09/513937709.db2.gz SLQMQYJKGHBYIL-OAHLLOKOSA-N 1 2 359.382 2.769 20 5 FFBDLO CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@H]1[C@@H]1CCCO1 ZINC000451818418 514001110 /nfs/dbraw/zinc/00/11/10/514001110.db2.gz PJOLBOSSFONOGS-IRXDYDNUSA-N 1 2 370.409 2.810 20 5 FFBDLO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436965881 514054110 /nfs/dbraw/zinc/05/41/10/514054110.db2.gz UNNPKWRDQBCQTJ-UHFFFAOYSA-N 1 2 371.393 2.509 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000426891340 514069591 /nfs/dbraw/zinc/06/95/91/514069591.db2.gz PDSCMRYNORNBKU-UHFFFAOYSA-N 1 2 366.377 2.778 20 5 FFBDLO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000451948148 514086835 /nfs/dbraw/zinc/08/68/35/514086835.db2.gz SUMRRSHIFVDMSU-QPUJVOFHSA-N 1 2 370.818 2.737 20 5 FFBDLO O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCn2cc[nH+]c2C1 ZINC000444000892 514095625 /nfs/dbraw/zinc/09/56/25/514095625.db2.gz ABNGEZADHSCBFB-UHFFFAOYSA-N 1 2 362.364 2.673 20 5 FFBDLO O=C(NCCc1[nH]cc[nH+]1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444006178 514097266 /nfs/dbraw/zinc/09/72/66/514097266.db2.gz WHEABSZIHBZOOC-UHFFFAOYSA-N 1 2 350.353 2.516 20 5 FFBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCc3c(F)ccc(F)c3C2)c1 ZINC000437531685 514178079 /nfs/dbraw/zinc/17/80/79/514178079.db2.gz AZHVEQCFFHRVNO-CYBMUJFWSA-N 1 2 364.348 2.671 20 5 FFBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCc3c(F)ccc(F)c3C2)c1 ZINC000437531685 514178086 /nfs/dbraw/zinc/17/80/86/514178086.db2.gz AZHVEQCFFHRVNO-CYBMUJFWSA-N 1 2 364.348 2.671 20 5 FFBDLO CN(c1ccccc1)c1ccc(C[N@@H+]2CCOC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000449412143 514200669 /nfs/dbraw/zinc/20/06/69/514200669.db2.gz DWFUHBMMQGVCTO-QGZVFWFLSA-N 1 2 357.410 2.556 20 5 FFBDLO CN(c1ccccc1)c1ccc(C[N@H+]2CCOC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000449412143 514200670 /nfs/dbraw/zinc/20/06/70/514200670.db2.gz DWFUHBMMQGVCTO-QGZVFWFLSA-N 1 2 357.410 2.556 20 5 FFBDLO C[C@@H](Cc1cccc(O)c1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000427630247 514269597 /nfs/dbraw/zinc/26/95/97/514269597.db2.gz RHSALTCSRZFMTK-ZDUSSCGKSA-N 1 2 366.377 2.847 20 5 FFBDLO COc1ccc(N2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)nc1 ZINC000449767005 514346416 /nfs/dbraw/zinc/34/64/16/514346416.db2.gz PJEXJMSXLCFWHS-XQRVVYSFSA-N 1 2 354.410 2.834 20 5 FFBDLO C[NH+](C)[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000428013591 514373977 /nfs/dbraw/zinc/37/39/77/514373977.db2.gz JGMRJQGFNBAFKU-OAHLLOKOSA-N 1 2 365.336 2.611 20 5 FFBDLO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCN(c2cccc[nH+]2)CC1 ZINC000450210511 514542440 /nfs/dbraw/zinc/54/24/40/514542440.db2.gz ILOGVNLDFUVRLT-UHFFFAOYSA-N 1 2 365.393 2.873 20 5 FFBDLO Cc1nc(N2CC[NH+](Cc3ccc(Cl)s3)CC2)ncc1[N+](=O)[O-] ZINC000450221079 514549756 /nfs/dbraw/zinc/54/97/56/514549756.db2.gz OIWCBAOTVQTVNU-UHFFFAOYSA-N 1 2 353.835 2.730 20 5 FFBDLO Cc1ccc(-c2n[nH]cc2C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)o1 ZINC000453580434 514699376 /nfs/dbraw/zinc/69/93/76/514699376.db2.gz UCHIHZUDOLYOLD-UHFFFAOYSA-N 1 2 368.397 2.604 20 5 FFBDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H](C)C1 ZINC000508285113 514730987 /nfs/dbraw/zinc/73/09/87/514730987.db2.gz AOBOTKAVAWIOBZ-AWEZNQCLSA-N 1 2 372.425 2.668 20 5 FFBDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H](C)C1 ZINC000508285113 514730997 /nfs/dbraw/zinc/73/09/97/514730997.db2.gz AOBOTKAVAWIOBZ-AWEZNQCLSA-N 1 2 372.425 2.668 20 5 FFBDLO COc1cc(C[N@H+](C)[C@H]2CCN(c3ccccc3F)C2=O)ccc1[N+](=O)[O-] ZINC000489194736 514746633 /nfs/dbraw/zinc/74/66/33/514746633.db2.gz FKPRDRSOSNNVDE-KRWDZBQOSA-N 1 2 373.384 2.980 20 5 FFBDLO COc1cc(C[N@@H+](C)[C@H]2CCN(c3ccccc3F)C2=O)ccc1[N+](=O)[O-] ZINC000489194736 514746642 /nfs/dbraw/zinc/74/66/42/514746642.db2.gz FKPRDRSOSNNVDE-KRWDZBQOSA-N 1 2 373.384 2.980 20 5 FFBDLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498152675 514780855 /nfs/dbraw/zinc/78/08/55/514780855.db2.gz KCOXCDGCJMDCMD-SUMWQHHRSA-N 1 2 358.423 2.628 20 5 FFBDLO Cc1c(CNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cccc1[N+](=O)[O-] ZINC000480056925 514826230 /nfs/dbraw/zinc/82/62/30/514826230.db2.gz KDPGBARRCSOXOO-OAHLLOKOSA-N 1 2 371.441 2.801 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](c1nc(C)no1)C1CCOCC1 ZINC000498372748 514888000 /nfs/dbraw/zinc/88/80/00/514888000.db2.gz KRZMAZMNJWZQNL-INIZCTEOSA-N 1 2 362.386 2.552 20 5 FFBDLO COC(=O)[C@H](c1ccccc1)[N@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000462125257 514898677 /nfs/dbraw/zinc/89/86/77/514898677.db2.gz IXWAUOJFTHUZNM-SFHVURJKSA-N 1 2 374.393 2.828 20 5 FFBDLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000462125257 514898685 /nfs/dbraw/zinc/89/86/85/514898685.db2.gz IXWAUOJFTHUZNM-SFHVURJKSA-N 1 2 374.393 2.828 20 5 FFBDLO CNc1nc(C(=O)N2CCC[C@H]2c2[nH]c3c([nH+]2)CCCC3)ccc1[N+](=O)[O-] ZINC000456049315 514922379 /nfs/dbraw/zinc/92/23/79/514922379.db2.gz WLARIJRGVSFZTA-AWEZNQCLSA-N 1 2 370.413 2.611 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCSC[C@H]1C1CC1 ZINC000456173878 515000850 /nfs/dbraw/zinc/00/08/50/515000850.db2.gz XSHJOEHESHRZFT-INIZCTEOSA-N 1 2 358.423 2.748 20 5 FFBDLO CN(CCOc1ccccc1)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000472029360 515091219 /nfs/dbraw/zinc/09/12/19/515091219.db2.gz KENJIXXXFQLWTI-UHFFFAOYSA-N 1 2 371.437 2.942 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000498942506 515135601 /nfs/dbraw/zinc/13/56/01/515135601.db2.gz UKWJELVDLLPAGD-CYBMUJFWSA-N 1 2 371.397 2.592 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000498942506 515135610 /nfs/dbraw/zinc/13/56/10/515135610.db2.gz UKWJELVDLLPAGD-CYBMUJFWSA-N 1 2 371.397 2.592 20 5 FFBDLO CCOc1cc(C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)c([N+](=O)[O-])cc1OC ZINC000456406846 515163309 /nfs/dbraw/zinc/16/33/09/515163309.db2.gz YIDFZESNBPKHBF-PWSUYJOCSA-N 1 2 360.370 2.634 20 5 FFBDLO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c2[nH+]ccn21 ZINC000456426896 515175884 /nfs/dbraw/zinc/17/58/84/515175884.db2.gz QTNAHPQPPNVBPI-KCJUWKMLSA-N 1 2 352.297 2.829 20 5 FFBDLO CC[C@@H]1C[N@H+](CCNc2ccc(Br)cc2[N+](=O)[O-])CCO1 ZINC000486021244 515300527 /nfs/dbraw/zinc/30/05/27/515300527.db2.gz XEBQMOMTNCHKFF-GFCCVEGCSA-N 1 2 358.236 2.880 20 5 FFBDLO CC[C@@H]1C[N@@H+](CCNc2ccc(Br)cc2[N+](=O)[O-])CCO1 ZINC000486021244 515300533 /nfs/dbraw/zinc/30/05/33/515300533.db2.gz XEBQMOMTNCHKFF-GFCCVEGCSA-N 1 2 358.236 2.880 20 5 FFBDLO CCC(CC)[C@H](C(=O)NCc1cccc([N+](=O)[O-])c1C)[NH+]1CCOCC1 ZINC000481466275 515337514 /nfs/dbraw/zinc/33/75/14/515337514.db2.gz MRFWUCIHDZBEAZ-GOSISDBHSA-N 1 2 363.458 2.656 20 5 FFBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCN(c2cccc[nH+]2)CC1 ZINC000490958253 515343293 /nfs/dbraw/zinc/34/32/93/515343293.db2.gz HJEVIBUMYSDOOF-UHFFFAOYSA-N 1 2 352.350 2.698 20 5 FFBDLO O=C(NCc1ccccc1[N+](=O)[O-])Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492082134 515500499 /nfs/dbraw/zinc/50/04/99/515500499.db2.gz QIKFRBYOSPHUCH-UHFFFAOYSA-N 1 2 352.354 2.556 20 5 FFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000505498843 515559256 /nfs/dbraw/zinc/55/92/56/515559256.db2.gz OKIRZJDESDJURT-KRWDZBQOSA-N 1 2 361.348 2.589 20 5 FFBDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000500105493 515593944 /nfs/dbraw/zinc/59/39/44/515593944.db2.gz MDOXNICGVYVSJE-UHFFFAOYSA-N 1 2 365.393 2.694 20 5 FFBDLO COCC[N@H+](Cc1c(C)nn(C)c1C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000459570578 515657535 /nfs/dbraw/zinc/65/75/35/515657535.db2.gz DSLUNBCRWSEUDA-UHFFFAOYSA-N 1 2 362.430 2.602 20 5 FFBDLO COCC[N@@H+](Cc1c(C)nn(C)c1C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000459570578 515657541 /nfs/dbraw/zinc/65/75/41/515657541.db2.gz DSLUNBCRWSEUDA-UHFFFAOYSA-N 1 2 362.430 2.602 20 5 FFBDLO O=C(NCCC1CC(F)(F)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000457152178 515690099 /nfs/dbraw/zinc/69/00/99/515690099.db2.gz BENLKVXTASGGPI-UHFFFAOYSA-N 1 2 350.325 2.946 20 5 FFBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454845593 515785773 /nfs/dbraw/zinc/78/57/73/515785773.db2.gz YGQXDBKTSZOQOZ-JKSUJKDBSA-N 1 2 369.425 2.695 20 5 FFBDLO COC(=O)c1ccc(F)c(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000511141596 515802594 /nfs/dbraw/zinc/80/25/94/515802594.db2.gz CFWQGCGBHGKNTF-UHFFFAOYSA-N 1 2 373.384 2.843 20 5 FFBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000506214569 515819191 /nfs/dbraw/zinc/81/91/91/515819191.db2.gz KBPIGACPMQRRPW-CYBMUJFWSA-N 1 2 367.471 2.547 20 5 FFBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000506214569 515819198 /nfs/dbraw/zinc/81/91/98/515819198.db2.gz KBPIGACPMQRRPW-CYBMUJFWSA-N 1 2 367.471 2.547 20 5 FFBDLO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000494645131 515908216 /nfs/dbraw/zinc/90/82/16/515908216.db2.gz FTUUHJDUPCJALR-NEPJUHHUSA-N 1 2 356.806 2.791 20 5 FFBDLO CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000494645131 515908220 /nfs/dbraw/zinc/90/82/20/515908220.db2.gz FTUUHJDUPCJALR-NEPJUHHUSA-N 1 2 356.806 2.791 20 5 FFBDLO COC(=O)[C@H](c1ccccc1)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500994318 515931218 /nfs/dbraw/zinc/93/12/18/515931218.db2.gz SMJPYGMQICPAQL-SFHVURJKSA-N 1 2 371.393 2.770 20 5 FFBDLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500994318 515931227 /nfs/dbraw/zinc/93/12/27/515931227.db2.gz SMJPYGMQICPAQL-SFHVURJKSA-N 1 2 371.393 2.770 20 5 FFBDLO COc1cc(C[N@H+](C)C[C@@H]2COc3ccccc3O2)c([N+](=O)[O-])cc1OC ZINC000506776672 515983259 /nfs/dbraw/zinc/98/32/59/515983259.db2.gz MVDNNLIBQUHGKL-CQSZACIVSA-N 1 2 374.393 2.884 20 5 FFBDLO COc1cc(C[N@@H+](C)C[C@@H]2COc3ccccc3O2)c([N+](=O)[O-])cc1OC ZINC000506776672 515983266 /nfs/dbraw/zinc/98/32/66/515983266.db2.gz MVDNNLIBQUHGKL-CQSZACIVSA-N 1 2 374.393 2.884 20 5 FFBDLO Cc1ccc(C[N@H+](CCO)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000483217233 515990314 /nfs/dbraw/zinc/99/03/14/515990314.db2.gz DARSRIYDMUQGGV-UHFFFAOYSA-N 1 2 367.789 2.583 20 5 FFBDLO Cc1ccc(C[N@@H+](CCO)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000483217233 515990320 /nfs/dbraw/zinc/99/03/20/515990320.db2.gz DARSRIYDMUQGGV-UHFFFAOYSA-N 1 2 367.789 2.583 20 5 FFBDLO CCc1c[nH+]ccc1NC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000511878370 516064413 /nfs/dbraw/zinc/06/44/13/516064413.db2.gz HGOAXRFSINFPJG-UHFFFAOYSA-N 1 2 361.423 2.855 20 5 FFBDLO CCc1cc(NC[C@@H](C)Cn2cccn2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000507114815 516094149 /nfs/dbraw/zinc/09/41/49/516094149.db2.gz ABACDXFICBNXQS-CQSZACIVSA-N 1 2 366.425 2.981 20 5 FFBDLO COc1ccc(-c2ccc(C[NH+]3CC(n4ccnn4)C3)o2)c([N+](=O)[O-])c1 ZINC000501742167 516210443 /nfs/dbraw/zinc/21/04/43/516210443.db2.gz MSBCTGLKRFZJLY-UHFFFAOYSA-N 1 2 355.354 2.512 20 5 FFBDLO O=C(N[C@@H]1CCC[C@H]1OC(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000501753885 516215953 /nfs/dbraw/zinc/21/59/53/516215953.db2.gz CNCMWQXFQSXSTJ-BXUZGUMPSA-N 1 2 366.324 2.671 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@](O)(C(F)(F)F)CC3)nc2c1 ZINC000512542488 516301755 /nfs/dbraw/zinc/30/17/55/516301755.db2.gz PUXXUGDCMBSUHA-CQSZACIVSA-N 1 2 358.320 2.750 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@](O)(C(F)(F)F)CC3)nc2c1 ZINC000512542488 516301759 /nfs/dbraw/zinc/30/17/59/516301759.db2.gz PUXXUGDCMBSUHA-CQSZACIVSA-N 1 2 358.320 2.750 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1Cn1c2ccccc2[nH]c1=[NH+]CCO ZINC000517934369 516497911 /nfs/dbraw/zinc/49/79/11/516497911.db2.gz RAEOWRFCNJVNNI-UHFFFAOYSA-N 1 2 370.409 2.606 20 5 FFBDLO COc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(Cl)c1 ZINC000535785806 516509246 /nfs/dbraw/zinc/50/92/46/516509246.db2.gz HCNVBUALJJOMCT-UHFFFAOYSA-N 1 2 362.817 2.974 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000558124497 516604819 /nfs/dbraw/zinc/60/48/19/516604819.db2.gz PDOPNAKSGMISKP-INIZCTEOSA-N 1 2 355.398 2.547 20 5 FFBDLO CC[N@H+](CCCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000523955587 516617470 /nfs/dbraw/zinc/61/74/70/516617470.db2.gz ZEWIANJLPKXDSD-UHFFFAOYSA-N 1 2 359.430 2.559 20 5 FFBDLO CC[N@@H+](CCCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000523955587 516617475 /nfs/dbraw/zinc/61/74/75/516617475.db2.gz ZEWIANJLPKXDSD-UHFFFAOYSA-N 1 2 359.430 2.559 20 5 FFBDLO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000554971934 516726601 /nfs/dbraw/zinc/72/66/01/516726601.db2.gz DZJADIUMJPGMJY-QLFBSQMISA-N 1 2 361.442 2.967 20 5 FFBDLO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000554971934 516726611 /nfs/dbraw/zinc/72/66/11/516726611.db2.gz DZJADIUMJPGMJY-QLFBSQMISA-N 1 2 361.442 2.967 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)c1 ZINC000540871982 516745620 /nfs/dbraw/zinc/74/56/20/516745620.db2.gz GOAFYMJYJJNQGD-UHFFFAOYSA-N 1 2 352.350 2.924 20 5 FFBDLO Cc1cccc(OC[C@@H](O)C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000558484276 516771720 /nfs/dbraw/zinc/77/17/20/516771720.db2.gz WZYFQMPUYNXOMB-KRWDZBQOSA-N 1 2 358.394 2.538 20 5 FFBDLO Cc1cccc(OC[C@@H](O)C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000558484276 516771729 /nfs/dbraw/zinc/77/17/29/516771729.db2.gz WZYFQMPUYNXOMB-KRWDZBQOSA-N 1 2 358.394 2.538 20 5 FFBDLO O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000518793229 516777542 /nfs/dbraw/zinc/77/75/42/516777542.db2.gz FOFYGSZMLPFYSX-SFHVURJKSA-N 1 2 373.384 2.537 20 5 FFBDLO Cc1ccc2[nH+]c(CNC(=O)NCCc3ccccc3[N+](=O)[O-])cn2c1 ZINC000558602137 516831540 /nfs/dbraw/zinc/83/15/40/516831540.db2.gz PKYHQFFTIMANLR-UHFFFAOYSA-N 1 2 353.382 2.593 20 5 FFBDLO COCCO[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000555342023 516891676 /nfs/dbraw/zinc/89/16/76/516891676.db2.gz XIJQVCSFFCLHDH-AWEZNQCLSA-N 1 2 360.357 2.824 20 5 FFBDLO COCCO[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000555342023 516891683 /nfs/dbraw/zinc/89/16/83/516891683.db2.gz XIJQVCSFFCLHDH-AWEZNQCLSA-N 1 2 360.357 2.824 20 5 FFBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000555376947 516906340 /nfs/dbraw/zinc/90/63/40/516906340.db2.gz GWQMHGGYWJMCQV-OAHLLOKOSA-N 1 2 373.375 2.910 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000558762720 516932508 /nfs/dbraw/zinc/93/25/08/516932508.db2.gz XOSDSVDLRHOBJR-UHFFFAOYSA-N 1 2 369.421 2.952 20 5 FFBDLO Cc1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000559146629 517100518 /nfs/dbraw/zinc/10/05/18/517100518.db2.gz AFNFFSDGZYSVIE-LJQANCHMSA-N 1 2 371.437 2.772 20 5 FFBDLO COc1ccc(OCC[N@@H+]2CCO[C@H](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000537373458 517160421 /nfs/dbraw/zinc/16/04/21/517160421.db2.gz DUVCUSHLQOFVFY-GOSISDBHSA-N 1 2 372.421 2.926 20 5 FFBDLO COc1ccc(OCC[N@H+]2CCO[C@H](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000537373458 517160429 /nfs/dbraw/zinc/16/04/29/517160429.db2.gz DUVCUSHLQOFVFY-GOSISDBHSA-N 1 2 372.421 2.926 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)cn1 ZINC000532858233 517169758 /nfs/dbraw/zinc/16/97/58/517169758.db2.gz HYECORFHHVMGOW-UHFFFAOYSA-N 1 2 353.304 2.730 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000515066714 517199087 /nfs/dbraw/zinc/19/90/87/517199087.db2.gz RSQZEWQKRVUPDY-UHFFFAOYSA-N 1 2 357.357 2.909 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000541960605 517312557 /nfs/dbraw/zinc/31/25/57/517312557.db2.gz SKKLPEHQHMENJK-NSHDSACASA-N 1 2 366.324 2.559 20 5 FFBDLO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000549687653 517660091 /nfs/dbraw/zinc/66/00/91/517660091.db2.gz MZFNUKKVICMABQ-SUMWQHHRSA-N 1 2 358.394 2.810 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H](c2ccncc2)C1 ZINC000556954688 517771996 /nfs/dbraw/zinc/77/19/96/517771996.db2.gz YGBDAQPYRMLGHT-MRXNPFEDSA-N 1 2 363.377 2.805 20 5 FFBDLO Cc1ccccc1[C@@H](CO)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000538882797 517825052 /nfs/dbraw/zinc/82/50/52/517825052.db2.gz CKIOEBUWCJWLCQ-MRXNPFEDSA-N 1 2 366.377 2.552 20 5 FFBDLO Cc1nsc(C)c1C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000516979710 517956902 /nfs/dbraw/zinc/95/69/02/517956902.db2.gz PZWYSCFZPYHIMO-UHFFFAOYSA-N 1 2 360.439 2.626 20 5 FFBDLO COc1cc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)ccc1[N+](=O)[O-] ZINC000522375312 518091088 /nfs/dbraw/zinc/09/10/88/518091088.db2.gz NWDJFEKTTSAORG-UHFFFAOYSA-N 1 2 352.350 2.719 20 5 FFBDLO Cc1ccnc(NCc2ccccc2OCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000522409207 518099856 /nfs/dbraw/zinc/09/98/56/518099856.db2.gz DTSMVTQQNNEPJD-UHFFFAOYSA-N 1 2 372.425 2.621 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CC1 ZINC000569835695 518317027 /nfs/dbraw/zinc/31/70/27/518317027.db2.gz XIVMHARWJCQTSS-INIZCTEOSA-N 1 2 355.398 2.784 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1c[nH+]ccc1N1CCCC1 ZINC000567093515 518347487 /nfs/dbraw/zinc/34/74/87/518347487.db2.gz TYNIXQCKTDZNAV-UHFFFAOYSA-N 1 2 362.411 2.699 20 5 FFBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000570175497 518479307 /nfs/dbraw/zinc/47/93/07/518479307.db2.gz KPUCKKYVTFCCKA-UHFFFAOYSA-N 1 2 367.409 2.905 20 5 FFBDLO Cn1cc([C@@H]2CCCC[N@@H+]2Cc2cc([N+](=O)[O-])cc3c2OCOC3)cn1 ZINC000585753857 518585176 /nfs/dbraw/zinc/58/51/76/518585176.db2.gz DTMGYRGKWUBRFO-KRWDZBQOSA-N 1 2 358.398 2.922 20 5 FFBDLO Cn1cc([C@@H]2CCCC[N@H+]2Cc2cc([N+](=O)[O-])cc3c2OCOC3)cn1 ZINC000585753857 518585182 /nfs/dbraw/zinc/58/51/82/518585182.db2.gz DTMGYRGKWUBRFO-KRWDZBQOSA-N 1 2 358.398 2.922 20 5 FFBDLO CC1CCN(c2ccc(CNc3cccc(C(N)=O)c3[N+](=O)[O-])c[nH+]2)CC1 ZINC000570419441 518598487 /nfs/dbraw/zinc/59/84/87/518598487.db2.gz JYAJQBTVJHEUEB-UHFFFAOYSA-N 1 2 369.425 2.937 20 5 FFBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCc2ccc(F)c(F)c2C1 ZINC000582203471 518635068 /nfs/dbraw/zinc/63/50/68/518635068.db2.gz GCOKLYGYHCYTQG-ZDUSSCGKSA-N 1 2 364.348 2.671 20 5 FFBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCc2ccc(F)c(F)c2C1 ZINC000582203471 518635075 /nfs/dbraw/zinc/63/50/75/518635075.db2.gz GCOKLYGYHCYTQG-ZDUSSCGKSA-N 1 2 364.348 2.671 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC(F)(F)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000582209747 518637965 /nfs/dbraw/zinc/63/79/65/518637965.db2.gz DSSCQOLBTSBCPT-MNOVXSKESA-N 1 2 357.357 2.908 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC(F)(F)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000582209747 518637968 /nfs/dbraw/zinc/63/79/68/518637968.db2.gz DSSCQOLBTSBCPT-MNOVXSKESA-N 1 2 357.357 2.908 20 5 FFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000588845863 518847431 /nfs/dbraw/zinc/84/74/31/518847431.db2.gz WMCGYEVOYGALGM-UHFFFAOYSA-N 1 2 374.466 2.758 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCN(c3ccccc3F)CC2)c1 ZINC000589494657 519017940 /nfs/dbraw/zinc/01/79/40/519017940.db2.gz WWDASNVPWRAVMQ-UHFFFAOYSA-N 1 2 373.384 2.843 20 5 FFBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@@H](n3cc(Cl)cn3)C1)OCCO2 ZINC000589520115 519024159 /nfs/dbraw/zinc/02/41/59/519024159.db2.gz VTFIHUTYGZBWEC-CYBMUJFWSA-N 1 2 364.789 2.663 20 5 FFBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@@H](n3cc(Cl)cn3)C1)OCCO2 ZINC000589520115 519024165 /nfs/dbraw/zinc/02/41/65/519024165.db2.gz VTFIHUTYGZBWEC-CYBMUJFWSA-N 1 2 364.789 2.663 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCCOc1ccc3c(c1)OCO3)CCO2 ZINC000583173028 519111657 /nfs/dbraw/zinc/11/16/57/519111657.db2.gz SZRVMAMDWWYIQF-UHFFFAOYSA-N 1 2 372.377 2.987 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCCOc1ccc3c(c1)OCO3)CCO2 ZINC000583173028 519111660 /nfs/dbraw/zinc/11/16/60/519111660.db2.gz SZRVMAMDWWYIQF-UHFFFAOYSA-N 1 2 372.377 2.987 20 5 FFBDLO Cc1cnc(CC[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(C)c1 ZINC000577508989 519118201 /nfs/dbraw/zinc/11/82/01/519118201.db2.gz AHRNBPTXKFKWGR-UHFFFAOYSA-N 1 2 368.437 2.607 20 5 FFBDLO O=C(C[N@@H+]1CCOC[C@@H](C2CCC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000590022583 519131633 /nfs/dbraw/zinc/13/16/33/519131633.db2.gz DTRIJNMMDRAKAW-ZDUSSCGKSA-N 1 2 367.833 2.935 20 5 FFBDLO O=C(C[N@H+]1CCOC[C@@H](C2CCC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000590022583 519131636 /nfs/dbraw/zinc/13/16/36/519131636.db2.gz DTRIJNMMDRAKAW-ZDUSSCGKSA-N 1 2 367.833 2.935 20 5 FFBDLO CCN(CC)S(=O)(=O)c1ccc(N[C@H](C)c2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000590567706 519268714 /nfs/dbraw/zinc/26/87/14/519268714.db2.gz CJFAYJWTFQCNIA-LLVKDONJSA-N 1 2 367.431 2.522 20 5 FFBDLO Cc1nc([N+](=O)[O-])c(-c2noc(-c3cc(C)ccc3-n3cc[nH+]c3)n2)n1C ZINC000583525928 519294492 /nfs/dbraw/zinc/29/44/92/519294492.db2.gz LOMDAMICAOKDFK-UHFFFAOYSA-N 1 2 365.353 2.848 20 5 FFBDLO Cc1c(CNC(=O)C[C@@H](c2[nH+]ccn2C)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000577862614 519297077 /nfs/dbraw/zinc/29/70/77/519297077.db2.gz DARKAWARRQOUSC-LBPRGKRZSA-N 1 2 370.331 2.989 20 5 FFBDLO COc1ccc(Cc2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc1[N+](=O)[O-] ZINC000569304855 519477914 /nfs/dbraw/zinc/47/79/14/519477914.db2.gz SMCVHFUUDQETOT-CZUORRHYSA-N 1 2 374.397 2.503 20 5 FFBDLO COc1ccc(Cc2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc1[N+](=O)[O-] ZINC000569304855 519477917 /nfs/dbraw/zinc/47/79/17/519477917.db2.gz SMCVHFUUDQETOT-CZUORRHYSA-N 1 2 374.397 2.503 20 5 FFBDLO O=C1[C@H]([N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000572411956 519600733 /nfs/dbraw/zinc/60/07/33/519600733.db2.gz MLBCRDWZXNJEHT-FGTMMUONSA-N 1 2 371.437 2.734 20 5 FFBDLO O=C1[C@H]([N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000572411956 519600740 /nfs/dbraw/zinc/60/07/40/519600740.db2.gz MLBCRDWZXNJEHT-FGTMMUONSA-N 1 2 371.437 2.734 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000602852183 519923419 /nfs/dbraw/zinc/92/34/19/519923419.db2.gz DKPGYCALDYUGLZ-OAHLLOKOSA-N 1 2 370.409 2.817 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000602852183 519923426 /nfs/dbraw/zinc/92/34/26/519923426.db2.gz DKPGYCALDYUGLZ-OAHLLOKOSA-N 1 2 370.409 2.817 20 5 FFBDLO CCn1nc(C)c(C[N@H+](C)[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1C ZINC000602925224 519976212 /nfs/dbraw/zinc/97/62/12/519976212.db2.gz HPNUGJNYFWCRMW-SFHVURJKSA-N 1 2 371.441 2.665 20 5 FFBDLO CCn1nc(C)c(C[N@@H+](C)[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1C ZINC000602925224 519976220 /nfs/dbraw/zinc/97/62/20/519976220.db2.gz HPNUGJNYFWCRMW-SFHVURJKSA-N 1 2 371.441 2.665 20 5 FFBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594484117 519995567 /nfs/dbraw/zinc/99/55/67/519995567.db2.gz SIRPLRRLOFLHRE-STQMWFEESA-N 1 2 373.862 2.543 20 5 FFBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594484117 519995571 /nfs/dbraw/zinc/99/55/71/519995571.db2.gz SIRPLRRLOFLHRE-STQMWFEESA-N 1 2 373.862 2.543 20 5 FFBDLO CC1CC(n2nnc3c2C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC3)C1 ZINC000602986810 520007293 /nfs/dbraw/zinc/00/72/93/520007293.db2.gz PRXZBPUQDWWMNA-UHFFFAOYSA-N 1 2 357.414 2.594 20 5 FFBDLO CC1CC(n2nnc3c2C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC3)C1 ZINC000602986810 520007299 /nfs/dbraw/zinc/00/72/99/520007299.db2.gz PRXZBPUQDWWMNA-UHFFFAOYSA-N 1 2 357.414 2.594 20 5 FFBDLO C[NH+](C)CCCOc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000612539556 520010377 /nfs/dbraw/zinc/01/03/77/520010377.db2.gz KXBFMYMTGPVLPR-UHFFFAOYSA-N 1 2 359.382 2.883 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC(c2ncco2)CC1 ZINC000600069021 520029282 /nfs/dbraw/zinc/02/92/82/520029282.db2.gz MHUKOTNQJKNAJU-UHFFFAOYSA-N 1 2 367.365 2.788 20 5 FFBDLO O=c1c2c([nH]n1-c1cccc([N+](=O)[O-])c1)CC[N@@H+](Cc1ccccc1)C2 ZINC000594661430 520073265 /nfs/dbraw/zinc/07/32/65/520073265.db2.gz YWYQTAZEZPXFPU-QGZVFWFLSA-N 1 2 350.378 2.820 20 5 FFBDLO O=c1c2c([nH]n1-c1cccc([N+](=O)[O-])c1)CC[N@H+](Cc1ccccc1)C2 ZINC000594661430 520073271 /nfs/dbraw/zinc/07/32/71/520073271.db2.gz YWYQTAZEZPXFPU-QGZVFWFLSA-N 1 2 350.378 2.820 20 5 FFBDLO C[C@@H]1c2ccccc2OCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000609145417 520208263 /nfs/dbraw/zinc/20/82/63/520208263.db2.gz BGCPTAXEPZXNHN-CQSZACIVSA-N 1 2 367.405 2.940 20 5 FFBDLO C[C@@H]1c2ccccc2OCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000609145417 520208270 /nfs/dbraw/zinc/20/82/70/520208270.db2.gz BGCPTAXEPZXNHN-CQSZACIVSA-N 1 2 367.405 2.940 20 5 FFBDLO COc1cc(C[NH2+]Cc2cocn2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000609354019 520293682 /nfs/dbraw/zinc/29/36/82/520293682.db2.gz JPSWDCXYDZJXDU-UHFFFAOYSA-N 1 2 361.276 2.822 20 5 FFBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000603877920 520388474 /nfs/dbraw/zinc/38/84/74/520388474.db2.gz AXWJEHMFSCDLMM-HUUCEWRRSA-N 1 2 371.441 2.846 20 5 FFBDLO Cc1noc(C[NH+]2CCC(CC(=O)NC3CCCC3)CC2)c1[N+](=O)[O-] ZINC000595294132 520389389 /nfs/dbraw/zinc/38/93/89/520389389.db2.gz JYMYCEIEZYIUSG-UHFFFAOYSA-N 1 2 350.419 2.552 20 5 FFBDLO Cc1cc(CN2C(=O)N[C@@](C)(c3cccc([N+](=O)[O-])c3)C2=O)cc(C)[nH+]1 ZINC000600696608 520404891 /nfs/dbraw/zinc/40/48/91/520404891.db2.gz DAOCVFDBBICPNV-SFHVURJKSA-N 1 2 354.366 2.574 20 5 FFBDLO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000598195402 520487612 /nfs/dbraw/zinc/48/76/12/520487612.db2.gz MOMUNYKGTTVLPO-MRXNPFEDSA-N 1 2 369.421 2.689 20 5 FFBDLO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000598195402 520487619 /nfs/dbraw/zinc/48/76/19/520487619.db2.gz MOMUNYKGTTVLPO-MRXNPFEDSA-N 1 2 369.421 2.689 20 5 FFBDLO O=C1C[C@@H]([N@@H+]2CCC[C@@H](C(F)(F)F)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000600883769 520513672 /nfs/dbraw/zinc/51/36/72/520513672.db2.gz BAFVYBNZITZUMN-ZWNOBZJWSA-N 1 2 371.315 2.501 20 5 FFBDLO O=C1C[C@@H]([N@H+]2CCC[C@@H](C(F)(F)F)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000600883769 520513679 /nfs/dbraw/zinc/51/36/79/520513679.db2.gz BAFVYBNZITZUMN-ZWNOBZJWSA-N 1 2 371.315 2.501 20 5 FFBDLO Cc1noc(C[NH+]2CCC(Cc3nc([C@@H]4C[C@@H]4C)no3)CC2)c1[N+](=O)[O-] ZINC000595557442 520550946 /nfs/dbraw/zinc/55/09/46/520550946.db2.gz IRTYGWUSENATAJ-GXFFZTMASA-N 1 2 361.402 2.852 20 5 FFBDLO C[C@@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000595584393 520569399 /nfs/dbraw/zinc/56/93/99/520569399.db2.gz DGSMTHLSIMRUPQ-SNVBAGLBSA-N 1 2 351.794 2.585 20 5 FFBDLO C[C@H]1COC2(CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000598347954 520570141 /nfs/dbraw/zinc/57/01/41/520570141.db2.gz BZACDXJROANNBK-AWEZNQCLSA-N 1 2 370.409 2.954 20 5 FFBDLO COC(=O)[C@@]1([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@@H](C)CC1 ZINC000595707347 520664577 /nfs/dbraw/zinc/66/45/77/520664577.db2.gz NWNFJMIRESKRDJ-KTXOBNNYSA-N 1 2 363.414 2.635 20 5 FFBDLO Cc1cc(N2CC(Cc3cnn(C)c3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000601199271 520682576 /nfs/dbraw/zinc/68/25/76/520682576.db2.gz ROXSORUSXIRKEM-UHFFFAOYSA-N 1 2 364.409 2.773 20 5 FFBDLO Cc1cccn2cc(CCNC(=O)NCc3ccc([N+](=O)[O-])cc3)[nH+]c12 ZINC000610457687 520697567 /nfs/dbraw/zinc/69/75/67/520697567.db2.gz ANQCMOAQHJQEQH-UHFFFAOYSA-N 1 2 353.382 2.593 20 5 FFBDLO O=C(NC1CC1)[C@H]1Cc2ccccc2C[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000593040528 520701035 /nfs/dbraw/zinc/70/10/35/520701035.db2.gz IUWHQCYQRSVGPK-LJQANCHMSA-N 1 2 351.406 2.800 20 5 FFBDLO O=C(NC1CC1)[C@H]1Cc2ccccc2C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000593040528 520701042 /nfs/dbraw/zinc/70/10/42/520701042.db2.gz IUWHQCYQRSVGPK-LJQANCHMSA-N 1 2 351.406 2.800 20 5 FFBDLO COc1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000595758807 520704074 /nfs/dbraw/zinc/70/40/74/520704074.db2.gz HHBLHXHCFQVJKA-CYBMUJFWSA-N 1 2 355.394 2.989 20 5 FFBDLO COc1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000595758807 520704080 /nfs/dbraw/zinc/70/40/80/520704080.db2.gz HHBLHXHCFQVJKA-CYBMUJFWSA-N 1 2 355.394 2.989 20 5 FFBDLO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000610476289 520704734 /nfs/dbraw/zinc/70/47/34/520704734.db2.gz VASYXCZOHKUADB-VBQJREDUSA-N 1 2 351.422 2.808 20 5 FFBDLO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000610476289 520704739 /nfs/dbraw/zinc/70/47/39/520704739.db2.gz VASYXCZOHKUADB-VBQJREDUSA-N 1 2 351.422 2.808 20 5 FFBDLO COc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])s3)CC2)cc(OC)c1 ZINC000610480092 520708995 /nfs/dbraw/zinc/70/89/95/520708995.db2.gz JJAFXBMGLTWIHX-UHFFFAOYSA-N 1 2 363.439 2.996 20 5 FFBDLO Cc1cc(N[C@@H]2CCCn3nccc32)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000601269546 520716047 /nfs/dbraw/zinc/71/60/47/520716047.db2.gz HNWDBYLLPOLMIH-OAHLLOKOSA-N 1 2 350.382 2.926 20 5 FFBDLO C[C@H]1COC2(CCCC2)C[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595814719 520742626 /nfs/dbraw/zinc/74/26/26/520742626.db2.gz IBNNZTQUCXNPDA-AWEZNQCLSA-N 1 2 359.426 2.517 20 5 FFBDLO C[C@H]1COC2(CCCC2)C[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595814719 520742631 /nfs/dbraw/zinc/74/26/31/520742631.db2.gz IBNNZTQUCXNPDA-AWEZNQCLSA-N 1 2 359.426 2.517 20 5 FFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000610786788 520843822 /nfs/dbraw/zinc/84/38/22/520843822.db2.gz SHJOYXZASLSQSE-GDBMZVCRSA-N 1 2 370.327 2.925 20 5 FFBDLO Cc1noc(CNc2ccc([NH+]3CCCCC3)cc2C(N)=O)c1[N+](=O)[O-] ZINC000596027318 520866306 /nfs/dbraw/zinc/86/63/06/520866306.db2.gz ASZBJCABQONHCL-UHFFFAOYSA-N 1 2 359.386 2.593 20 5 FFBDLO COc1cc(NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596069923 520894258 /nfs/dbraw/zinc/89/42/58/520894258.db2.gz KDNBVVGNJSZLPI-MRXNPFEDSA-N 1 2 370.881 2.941 20 5 FFBDLO COC(=O)C1(CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CCCC1 ZINC000610953055 520917507 /nfs/dbraw/zinc/91/75/07/520917507.db2.gz UTGQDHINMRROIL-UHFFFAOYSA-N 1 2 370.409 2.927 20 5 FFBDLO COc1ccccc1C[NH+]1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596111097 520919685 /nfs/dbraw/zinc/91/96/85/520919685.db2.gz XERMSACIJJYGTQ-UHFFFAOYSA-N 1 2 362.817 2.974 20 5 FFBDLO C[C@H]1C(=O)Nc2ccccc2C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000598950466 520938151 /nfs/dbraw/zinc/93/81/51/520938151.db2.gz QVOSYYIUFSERKW-ZDUSSCGKSA-N 1 2 368.393 2.766 20 5 FFBDLO C[C@H]1C(=O)Nc2ccccc2C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000598950466 520938161 /nfs/dbraw/zinc/93/81/61/520938161.db2.gz QVOSYYIUFSERKW-ZDUSSCGKSA-N 1 2 368.393 2.766 20 5 FFBDLO C[C@H]1CN(c2c(Br)cccc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000596223953 520980136 /nfs/dbraw/zinc/98/01/36/520980136.db2.gz VDMQHTKDXOUNBU-NSHDSACASA-N 1 2 372.263 2.639 20 5 FFBDLO C[C@H]1CN(c2c(Br)cccc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000596223953 520980148 /nfs/dbraw/zinc/98/01/48/520980148.db2.gz VDMQHTKDXOUNBU-NSHDSACASA-N 1 2 372.263 2.639 20 5 FFBDLO Cc1cc(C[NH+]2CCN(c3ccc4cnccc4c3[N+](=O)[O-])CC2)on1 ZINC000599018060 520981752 /nfs/dbraw/zinc/98/17/52/520981752.db2.gz UBSGTECGRZKVQY-UHFFFAOYSA-N 1 2 353.382 2.762 20 5 FFBDLO C[N@@H+]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC12CCCCC2 ZINC000596251323 520993895 /nfs/dbraw/zinc/99/38/95/520993895.db2.gz QJTPTQSHRFULPK-UHFFFAOYSA-N 1 2 373.500 2.515 20 5 FFBDLO C[N@H+]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC12CCCCC2 ZINC000596251323 520993901 /nfs/dbraw/zinc/99/39/01/520993901.db2.gz QJTPTQSHRFULPK-UHFFFAOYSA-N 1 2 373.500 2.515 20 5 FFBDLO O=C(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1c[nH]c2ccc(F)cc12 ZINC000599387881 521191634 /nfs/dbraw/zinc/19/16/34/521191634.db2.gz VDWOILZNFLLKPD-UHFFFAOYSA-N 1 2 371.372 2.932 20 5 FFBDLO C[C@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000599541876 521282975 /nfs/dbraw/zinc/28/29/75/521282975.db2.gz MWKTVPGJLRBCQI-SNVBAGLBSA-N 1 2 367.203 2.620 20 5 FFBDLO C[C@@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000599541875 521284049 /nfs/dbraw/zinc/28/40/49/521284049.db2.gz MWKTVPGJLRBCQI-JTQLQIEISA-N 1 2 367.203 2.620 20 5 FFBDLO C[N@H+](Cc1ccc(OCC(F)(F)F)nn1)Cc1ccccc1[N+](=O)[O-] ZINC000593938448 521303404 /nfs/dbraw/zinc/30/34/04/521303404.db2.gz AFNVCULTJOXSKX-UHFFFAOYSA-N 1 2 356.304 2.958 20 5 FFBDLO C[N@@H+](Cc1ccc(OCC(F)(F)F)nn1)Cc1ccccc1[N+](=O)[O-] ZINC000593938448 521303412 /nfs/dbraw/zinc/30/34/12/521303412.db2.gz AFNVCULTJOXSKX-UHFFFAOYSA-N 1 2 356.304 2.958 20 5 FFBDLO COC(=O)[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)Cc2ccccc21 ZINC000599670239 521384550 /nfs/dbraw/zinc/38/45/50/521384550.db2.gz HDSVTUHMTFKIFD-QGZVFWFLSA-N 1 2 356.378 2.876 20 5 FFBDLO COC(=O)[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)Cc2ccccc21 ZINC000599670239 521384557 /nfs/dbraw/zinc/38/45/57/521384557.db2.gz HDSVTUHMTFKIFD-QGZVFWFLSA-N 1 2 356.378 2.876 20 5 FFBDLO CCc1nnc([C@@H](C)[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)[nH]1 ZINC000602577048 521419288 /nfs/dbraw/zinc/41/92/88/521419288.db2.gz FRBMFYPRKFSFRS-ZCFIWIBFSA-N 1 2 360.237 2.950 20 5 FFBDLO Nc1c(NC(=O)NCCCCn2cc[nH+]c2)cc(Cl)cc1[N+](=O)[O-] ZINC000597095358 521501979 /nfs/dbraw/zinc/50/19/79/521501979.db2.gz UHTHHCKJSCFXFN-UHFFFAOYSA-N 1 2 352.782 2.629 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCc2ccccc2C1 ZINC000615990673 521595447 /nfs/dbraw/zinc/59/54/47/521595447.db2.gz LDMQHZXMZYSCJL-UHFFFAOYSA-N 1 2 353.422 2.990 20 5 FFBDLO CC(C)[C@@H]1C[N@@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CCS1 ZINC000154772108 728811348 /nfs/dbraw/zinc/81/13/48/728811348.db2.gz SVOUBLUYCCMTTK-INIZCTEOSA-N 1 2 364.471 2.868 20 5 FFBDLO CC(C)[C@@H]1C[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CCS1 ZINC000154772108 728811344 /nfs/dbraw/zinc/81/13/44/728811344.db2.gz SVOUBLUYCCMTTK-INIZCTEOSA-N 1 2 364.471 2.868 20 5 FFBDLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000898097841 735313473 /nfs/dbraw/zinc/31/34/73/735313473.db2.gz QCVGRTYUNFZTAW-ZETCQYMHSA-N 1 2 373.171 2.982 20 5 FFBDLO CC(C)Oc1cc(C(=O)N[C@H]2CCC[N@H+](CCF)C2)ccc1[N+](=O)[O-] ZINC000898503744 735371545 /nfs/dbraw/zinc/37/15/45/735371545.db2.gz NASSXNJVKDJKCX-AWEZNQCLSA-N 1 2 353.394 2.546 20 5 FFBDLO CC(C)Oc1cc(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)ccc1[N+](=O)[O-] ZINC000898503744 735371549 /nfs/dbraw/zinc/37/15/49/735371549.db2.gz NASSXNJVKDJKCX-AWEZNQCLSA-N 1 2 353.394 2.546 20 5 FFBDLO O=[N+]([O-])c1ncccc1C[NH2+][C@@H](CCO)c1ccccc1Br ZINC000886122430 733752362 /nfs/dbraw/zinc/75/23/62/733752362.db2.gz AWJKSLMHLJRRQT-AWEZNQCLSA-N 1 2 366.215 2.966 20 5 FFBDLO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000751277442 735861238 /nfs/dbraw/zinc/86/12/38/735861238.db2.gz IPBIFULNCHIWQA-UHFFFAOYSA-N 1 2 370.818 2.540 20 5 FFBDLO CCn1c[nH+]c2c1CCN(Cn1ncc3cc([N+](=O)[O-])cc(Cl)c31)C2 ZINC000902551866 735960067 /nfs/dbraw/zinc/96/00/67/735960067.db2.gz XLJGHSNGFIURQG-UHFFFAOYSA-N 1 2 360.805 2.830 20 5 FFBDLO C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1cccc(NS(C)(=O)=O)c1 ZINC000753910917 736105665 /nfs/dbraw/zinc/10/56/65/736105665.db2.gz MCZAICLHZPCNNG-NSHDSACASA-N 1 2 367.402 2.956 20 5 FFBDLO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000754979057 736221746 /nfs/dbraw/zinc/22/17/46/736221746.db2.gz YFUBFTXTXSXFSQ-CQSZACIVSA-N 1 2 351.403 2.704 20 5 FFBDLO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000754979057 736221751 /nfs/dbraw/zinc/22/17/51/736221751.db2.gz YFUBFTXTXSXFSQ-CQSZACIVSA-N 1 2 351.403 2.704 20 5 FFBDLO O=C1[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCN1c1c(F)cccc1F ZINC000756148208 736311186 /nfs/dbraw/zinc/31/11/86/736311186.db2.gz FWTBIOSZJONXPK-GFCCVEGCSA-N 1 2 353.350 2.830 20 5 FFBDLO O=C(NC[C@H]1CC1(Cl)Cl)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000913815151 737452886 /nfs/dbraw/zinc/45/28/86/737452886.db2.gz XZPDXSJBYGYZHV-SNVBAGLBSA-N 1 2 355.181 2.704 20 5 FFBDLO CNC(=O)CC1CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000769468730 737532853 /nfs/dbraw/zinc/53/28/53/737532853.db2.gz OSLCPGCDQMTQAW-UHFFFAOYSA-N 1 2 370.247 2.705 20 5 FFBDLO O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)cc1 ZINC000777815880 738322622 /nfs/dbraw/zinc/32/26/22/738322622.db2.gz GHKDJBFWEDMDDJ-UHFFFAOYSA-N 1 2 359.363 2.607 20 5 FFBDLO COC1(OC)CCOC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000931676093 739307817 /nfs/dbraw/zinc/30/78/17/739307817.db2.gz TXEQFBGSQAIPLO-GFCCVEGCSA-N 1 2 365.213 2.769 20 5 FFBDLO CO[C@@H]1COCC[C@@H]1[N@H+](C)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000931698148 739313528 /nfs/dbraw/zinc/31/35/28/739313528.db2.gz KKJNCRDELBQNLJ-UONOGXRCSA-N 1 2 359.220 2.593 20 5 FFBDLO CO[C@@H]1COCC[C@@H]1[N@@H+](C)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000931698148 739313531 /nfs/dbraw/zinc/31/35/31/739313531.db2.gz KKJNCRDELBQNLJ-UONOGXRCSA-N 1 2 359.220 2.593 20 5 FFBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCc1cc[nH+]c(N)c1 ZINC000791777906 739602002 /nfs/dbraw/zinc/60/20/02/739602002.db2.gz MMDDQJLDFQODAU-VIFPVBQESA-N 1 2 351.746 2.736 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOC[C@@H]1CC1CCOCC1 ZINC000934636125 739817006 /nfs/dbraw/zinc/81/70/06/739817006.db2.gz OVBIVMZBQBTNOA-KRWDZBQOSA-N 1 2 350.415 2.621 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOC[C@@H]1CC1CCOCC1 ZINC000934636125 739817009 /nfs/dbraw/zinc/81/70/09/739817009.db2.gz OVBIVMZBQBTNOA-KRWDZBQOSA-N 1 2 350.415 2.621 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000797518523 740252864 /nfs/dbraw/zinc/25/28/64/740252864.db2.gz HIZOOETUJWBNCZ-ZDUSSCGKSA-N 1 2 351.403 2.702 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000797518523 740252867 /nfs/dbraw/zinc/25/28/67/740252867.db2.gz HIZOOETUJWBNCZ-ZDUSSCGKSA-N 1 2 351.403 2.702 20 5 FFBDLO COCCO[C@@H]1CCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000802652321 740715366 /nfs/dbraw/zinc/71/53/66/740715366.db2.gz DINASIRMXUYQTL-GFCCVEGCSA-N 1 2 373.247 2.985 20 5 FFBDLO COCCO[C@@H]1CCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000802652321 740715369 /nfs/dbraw/zinc/71/53/69/740715369.db2.gz DINASIRMXUYQTL-GFCCVEGCSA-N 1 2 373.247 2.985 20 5 FFBDLO O=C(NC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1)C(F)(F)F ZINC000810066671 741380840 /nfs/dbraw/zinc/38/08/40/741380840.db2.gz OHXWWLBKSCMTEM-SNVBAGLBSA-N 1 2 363.311 2.624 20 5 FFBDLO O=C(NC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1)C(F)(F)F ZINC000810066671 741380844 /nfs/dbraw/zinc/38/08/44/741380844.db2.gz OHXWWLBKSCMTEM-SNVBAGLBSA-N 1 2 363.311 2.624 20 5 FFBDLO O=C(OC/C=C\Br)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000813927513 741774871 /nfs/dbraw/zinc/77/48/71/741774871.db2.gz AEOASLNQRHXQNJ-RJRFIUFISA-N 1 2 352.144 2.846 20 5 FFBDLO O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839724182 746904546 /nfs/dbraw/zinc/90/45/46/746904546.db2.gz ZHIYZNXEFBVMAH-HUUCEWRRSA-N 1 2 372.252 2.739 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCC([C@H](C)CO)CC1 ZINC000844417035 748025332 /nfs/dbraw/zinc/02/53/32/748025332.db2.gz RKJJHXUBTNRZFW-VXGBXAGGSA-N 1 2 369.849 2.916 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000852667498 749917320 /nfs/dbraw/zinc/91/73/20/749917320.db2.gz GENAJEZOUHNOFZ-GRYCIOLGSA-N 1 2 353.806 2.544 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000852667498 749917324 /nfs/dbraw/zinc/91/73/24/749917324.db2.gz GENAJEZOUHNOFZ-GRYCIOLGSA-N 1 2 353.806 2.544 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000852699973 749928408 /nfs/dbraw/zinc/92/84/08/749928408.db2.gz ADIGRZFITDMTHH-USBNGQNGSA-N 1 2 355.822 2.526 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000852699973 749928412 /nfs/dbraw/zinc/92/84/12/749928412.db2.gz ADIGRZFITDMTHH-USBNGQNGSA-N 1 2 355.822 2.526 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000852699972 749928577 /nfs/dbraw/zinc/92/85/77/749928577.db2.gz ADIGRZFITDMTHH-LYOVBCGYSA-N 1 2 355.822 2.526 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000852699972 749928582 /nfs/dbraw/zinc/92/85/82/749928582.db2.gz ADIGRZFITDMTHH-LYOVBCGYSA-N 1 2 355.822 2.526 20 5 FFBDLO C[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1NC(=O)C(F)(F)F ZINC000852757983 749946706 /nfs/dbraw/zinc/94/67/06/749946706.db2.gz UFWJOFZAUFBUSX-RISCZKNCSA-N 1 2 359.348 2.526 20 5 FFBDLO C[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1NC(=O)C(F)(F)F ZINC000852757983 749946709 /nfs/dbraw/zinc/94/67/09/749946709.db2.gz UFWJOFZAUFBUSX-RISCZKNCSA-N 1 2 359.348 2.526 20 5 FFBDLO C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000121922273 966962832 /nfs/dbraw/zinc/96/28/32/966962832.db2.gz JTDSHPYULZIILU-INIZCTEOSA-N 1 2 374.485 2.896 20 5 FFBDLO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)Cc1cnc[nH]1 ZINC001176832077 1013784448 /nfs/dbraw/zinc/78/44/48/1013784448.db2.gz HCWJQLAOSUYOGE-UHFFFAOYSA-N 1 2 361.405 2.861 20 5 FFBDLO O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000840058496 969053936 /nfs/dbraw/zinc/05/39/36/969053936.db2.gz SSWISPDQHPPVEC-IAQYHMDHSA-N 1 2 373.331 2.764 20 5 FFBDLO O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000840058496 969053946 /nfs/dbraw/zinc/05/39/46/969053946.db2.gz SSWISPDQHPPVEC-IAQYHMDHSA-N 1 2 373.331 2.764 20 5 FFBDLO O=[N+]([O-])c1cc(F)c(Br)c(O[C@H]2CC[NH2+]CC2(F)F)c1 ZINC001218013088 969337400 /nfs/dbraw/zinc/33/74/00/969337400.db2.gz YFWGTRKULZBDLL-VIFPVBQESA-N 1 2 355.110 2.872 20 5 FFBDLO C[C@H]1CCN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000892909511 970366252 /nfs/dbraw/zinc/36/62/52/970366252.db2.gz MCFBXCNYMIGWHO-XJKSGUPXSA-N 1 2 367.409 2.731 20 5 FFBDLO C[C@@H](CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1[N+](=O)[O-] ZINC000897063246 973215083 /nfs/dbraw/zinc/21/50/83/973215083.db2.gz MQWSVSGFOQAWKS-GOEBONIOSA-N 1 2 370.409 2.956 20 5 FFBDLO CCOC(=O)Cc1ccc(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000825832342 1014095311 /nfs/dbraw/zinc/09/53/11/1014095311.db2.gz ORJCXAYKSYHRCZ-RDTXWAMCSA-N 1 2 372.425 2.984 20 5 FFBDLO Cn1cc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccco2)c([N+](=O)[O-])n1 ZINC000876794649 1014395320 /nfs/dbraw/zinc/39/53/20/1014395320.db2.gz YWKABAKLHNEEKL-INIZCTEOSA-N 1 2 356.382 2.657 20 5 FFBDLO Cn1cc(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccco2)c([N+](=O)[O-])n1 ZINC000876794649 1014395331 /nfs/dbraw/zinc/39/53/31/1014395331.db2.gz YWKABAKLHNEEKL-INIZCTEOSA-N 1 2 356.382 2.657 20 5 FFBDLO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000907113981 981199820 /nfs/dbraw/zinc/19/98/20/981199820.db2.gz CUNLTBLCICIDRG-CQSZACIVSA-N 1 2 374.828 2.971 20 5 FFBDLO C/C(=C/C(=O)Nc1cc([N+](=O)[O-])ccc1NC(C)C)C[NH+]1CCOCC1 ZINC000909019744 981598027 /nfs/dbraw/zinc/59/80/27/981598027.db2.gz GEZZUMLALRCERF-UVTDQMKNSA-N 1 2 362.430 2.632 20 5 FFBDLO Cc1ccc(C[NH2+][C@@H](c2nc(-c3nc[nH]n3)no2)C(C)C)cc1[N+](=O)[O-] ZINC000129255792 981632521 /nfs/dbraw/zinc/63/25/21/981632521.db2.gz OWCPVHKVYMUEIN-CYBMUJFWSA-N 1 2 357.374 2.558 20 5 FFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[NH2+]C1(c2ccccc2)CCOCC1 ZINC000764120649 984302621 /nfs/dbraw/zinc/30/26/21/984302621.db2.gz LJGVGSBFJUIZMQ-UHFFFAOYSA-N 1 2 369.377 2.756 20 5 FFBDLO COC(=O)c1ccc(OC(=O)c2ccn3c(C)c[nH+]c3c2)cc1[N+](=O)[O-] ZINC001127815432 984891929 /nfs/dbraw/zinc/89/19/29/984891929.db2.gz RJJIBWPRKJIJFI-UHFFFAOYSA-N 1 2 355.306 2.557 20 5 FFBDLO COc1ccc(C[N@H+](C)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)cc1 ZINC000172891842 985698767 /nfs/dbraw/zinc/69/87/67/985698767.db2.gz MSKXCZWEPKOVQJ-UHFFFAOYSA-N 1 2 353.382 2.951 20 5 FFBDLO COc1ccc(C[N@@H+](C)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)cc1 ZINC000172891842 985698794 /nfs/dbraw/zinc/69/87/94/985698794.db2.gz MSKXCZWEPKOVQJ-UHFFFAOYSA-N 1 2 353.382 2.951 20 5 FFBDLO CO[C@@H]1C[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)Cc3cccnc3N2C1 ZINC000879271216 1015450854 /nfs/dbraw/zinc/45/08/54/1015450854.db2.gz WOBFWLWRPINSNZ-JKSUJKDBSA-N 1 2 372.400 2.738 20 5 FFBDLO CO[C@@H]1C[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)Cc3cccnc3N2C1 ZINC000879271216 1015450862 /nfs/dbraw/zinc/45/08/62/1015450862.db2.gz WOBFWLWRPINSNZ-JKSUJKDBSA-N 1 2 372.400 2.738 20 5 FFBDLO O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000031809379 989497747 /nfs/dbraw/zinc/49/77/47/989497747.db2.gz RHRWBJIPLOFIDM-UHFFFAOYSA-N 1 2 353.294 2.941 20 5 FFBDLO CC(C)(C)OC(=O)N1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000917830463 990285784 /nfs/dbraw/zinc/28/57/84/990285784.db2.gz GHWSLHOAXYZURH-UHFFFAOYSA-N 1 2 365.430 2.916 20 5 FFBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1C(=O)C2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000811771829 995239016 /nfs/dbraw/zinc/23/90/16/995239016.db2.gz GHNQJVIINXLKNJ-QZTJIDSGSA-N 1 2 373.453 2.587 20 5 FFBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1C(=O)C2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000811771829 995239028 /nfs/dbraw/zinc/23/90/28/995239028.db2.gz GHNQJVIINXLKNJ-QZTJIDSGSA-N 1 2 373.453 2.587 20 5 FFBDLO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1n[nH]c2c1CCCC2 ZINC000813171023 995632471 /nfs/dbraw/zinc/63/24/71/995632471.db2.gz CCRIYWPRBBZMBQ-HNNXBMFYSA-N 1 2 370.409 2.628 20 5 FFBDLO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1n[nH]c2c1CCCC2 ZINC000813171023 995632473 /nfs/dbraw/zinc/63/24/73/995632473.db2.gz CCRIYWPRBBZMBQ-HNNXBMFYSA-N 1 2 370.409 2.628 20 5 FFBDLO CCn1cc(Cl)c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC001133728996 995676027 /nfs/dbraw/zinc/67/60/27/995676027.db2.gz JUGXXMVAIVLDCG-UHFFFAOYSA-N 1 2 360.761 2.903 20 5 FFBDLO C[C@@H](CC(=O)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)n1cc[nH+]c1 ZINC000845524246 998576269 /nfs/dbraw/zinc/57/62/69/998576269.db2.gz QXBSBAXMWRNNIG-GXTWGEPZSA-N 1 2 362.361 2.704 20 5 FFBDLO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000742589330 999779128 /nfs/dbraw/zinc/77/91/28/999779128.db2.gz GDHZWNGJHBKZFA-UHFFFAOYSA-N 1 2 354.366 2.754 20 5 FFBDLO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000742589330 999779131 /nfs/dbraw/zinc/77/91/31/999779131.db2.gz GDHZWNGJHBKZFA-UHFFFAOYSA-N 1 2 354.366 2.754 20 5 FFBDLO COc1ccc(C[N@H+](C)Cn2c3cc([N+](=O)[O-])ccc3oc2=O)cc1C ZINC000103134286 1000032702 /nfs/dbraw/zinc/03/27/02/1000032702.db2.gz WMGHNSDKSIADNJ-UHFFFAOYSA-N 1 2 357.366 2.909 20 5 FFBDLO COc1ccc(C[N@@H+](C)Cn2c3cc([N+](=O)[O-])ccc3oc2=O)cc1C ZINC000103134286 1000032703 /nfs/dbraw/zinc/03/27/03/1000032703.db2.gz WMGHNSDKSIADNJ-UHFFFAOYSA-N 1 2 357.366 2.909 20 5 FFBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+](Cc1ccccc1)[C@]1(CO)CCOC1 ZINC000787674461 1001702687 /nfs/dbraw/zinc/70/26/87/1001702687.db2.gz GHNXGIHELSZAFC-IBGZPJMESA-N 1 2 360.385 2.888 20 5 FFBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+](Cc1ccccc1)[C@]1(CO)CCOC1 ZINC000787674461 1001702689 /nfs/dbraw/zinc/70/26/89/1001702689.db2.gz GHNXGIHELSZAFC-IBGZPJMESA-N 1 2 360.385 2.888 20 5 FFBDLO COC(=O)c1occc1COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000791310903 1002663176 /nfs/dbraw/zinc/66/31/76/1002663176.db2.gz KVWZCHHORKIYJI-UHFFFAOYSA-N 1 2 371.305 2.517 20 5 FFBDLO C[C@H]1CCCN(c2ccc(C(=O)OCCc3c[nH+]cn3C)cc2[N+](=O)[O-])C1 ZINC000793248715 1003318638 /nfs/dbraw/zinc/31/86/38/1003318638.db2.gz BVRUNCTXQZQKMZ-AWEZNQCLSA-N 1 2 372.425 2.964 20 5 FFBDLO CSc1ccnc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC001130742176 1004414049 /nfs/dbraw/zinc/41/40/49/1004414049.db2.gz LRXLZSHOSAWHRO-UHFFFAOYSA-N 1 2 356.367 2.545 20 5 FFBDLO Cc1[nH]c([C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[nH+]c1C ZINC001194803883 1004818605 /nfs/dbraw/zinc/81/86/05/1004818605.db2.gz ZHFNGCSSLCJMJK-LBPRGKRZSA-N 1 2 368.390 2.600 20 5 FFBDLO Cc1ccc(C)c(S(=O)(=O)NCc2c[nH]c(C(C)C)[nH+]2)c1[N+](=O)[O-] ZINC001195328251 1004932503 /nfs/dbraw/zinc/93/25/03/1004932503.db2.gz WDSAWJPLDABXTR-UHFFFAOYSA-N 1 2 352.416 2.537 20 5 FFBDLO Cc1ccc(C)c(S(=O)(=O)NCc2c[nH+]c(C(C)C)[nH]2)c1[N+](=O)[O-] ZINC001195328251 1004932505 /nfs/dbraw/zinc/93/25/05/1004932505.db2.gz WDSAWJPLDABXTR-UHFFFAOYSA-N 1 2 352.416 2.537 20 5 FFBDLO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCN(Cc3cccc(F)c3)CC2)cc1 ZINC000776274618 1005340551 /nfs/dbraw/zinc/34/05/51/1005340551.db2.gz BEESMNJDLGPFND-IBGZPJMESA-N 1 2 359.401 2.585 20 5 FFBDLO CC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000882444569 1006401449 /nfs/dbraw/zinc/40/14/49/1006401449.db2.gz QRNDHEATWBWDAS-HUUCEWRRSA-N 1 2 358.398 2.716 20 5 FFBDLO O=C1N(C[NH+]2CCC(c3ccon3)CC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000853588600 1006461248 /nfs/dbraw/zinc/46/12/48/1006461248.db2.gz GBKKXIYQMXQGHG-UHFFFAOYSA-N 1 2 371.397 2.662 20 5 FFBDLO O=c1oc(-c2ccccc2[N+](=O)[O-])nn1C[N@H+](CCC1CC1)CC1CC1 ZINC000853604894 1006471620 /nfs/dbraw/zinc/47/16/20/1006471620.db2.gz ACWBGFQNAFDRKO-UHFFFAOYSA-N 1 2 358.398 2.881 20 5 FFBDLO O=c1oc(-c2ccccc2[N+](=O)[O-])nn1C[N@@H+](CCC1CC1)CC1CC1 ZINC000853604894 1006471627 /nfs/dbraw/zinc/47/16/27/1006471627.db2.gz ACWBGFQNAFDRKO-UHFFFAOYSA-N 1 2 358.398 2.881 20 5 FFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2nnc(-c3cnn(C)c3)cc2C1 ZINC000854126918 1006695680 /nfs/dbraw/zinc/69/56/80/1006695680.db2.gz HPGOOKJVKQHHBU-ZDUSSCGKSA-N 1 2 364.409 2.905 20 5 FFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCc2nnc(-c3cnn(C)c3)cc2C1 ZINC000854126918 1006695687 /nfs/dbraw/zinc/69/56/87/1006695687.db2.gz HPGOOKJVKQHHBU-ZDUSSCGKSA-N 1 2 364.409 2.905 20 5 FFBDLO C[C@@H]1C[C@@H](C)[N@H+](Cn2cc([N+](=O)[O-])cn2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000817378609 1007570852 /nfs/dbraw/zinc/57/08/52/1007570852.db2.gz VUAYJQXMDUFCES-MCIONIFRSA-N 1 2 367.450 2.620 20 5 FFBDLO C[C@@H]1C[C@@H](C)[N@@H+](Cn2cc([N+](=O)[O-])cn2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000817378609 1007570861 /nfs/dbraw/zinc/57/08/61/1007570861.db2.gz VUAYJQXMDUFCES-MCIONIFRSA-N 1 2 367.450 2.620 20 5 FFBDLO Cc1cc(CNC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(C)[nH+]1 ZINC000817458123 1007598529 /nfs/dbraw/zinc/59/85/29/1007598529.db2.gz COODYNLJCLLZOA-UHFFFAOYSA-N 1 2 358.354 2.764 20 5 FFBDLO CCOC[C@@H]1CCC[N@H+](Cn2cc(C)n(-c3ccccc3[N+](=O)[O-])c2=O)C1 ZINC000113923784 1007699534 /nfs/dbraw/zinc/69/95/34/1007699534.db2.gz IWJGCNZDZBRBIB-MRXNPFEDSA-N 1 2 374.441 2.562 20 5 FFBDLO CCOC[C@@H]1CCC[N@@H+](Cn2cc(C)n(-c3ccccc3[N+](=O)[O-])c2=O)C1 ZINC000113923784 1007699547 /nfs/dbraw/zinc/69/95/47/1007699547.db2.gz IWJGCNZDZBRBIB-MRXNPFEDSA-N 1 2 374.441 2.562 20 5 FFBDLO Nc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)cc1[N+](=O)[O-] ZINC000819916181 1008249747 /nfs/dbraw/zinc/24/97/47/1008249747.db2.gz ITGNGVLVVDRRPX-KRWDZBQOSA-N 1 2 372.450 2.906 20 5 FFBDLO C[C@H](NC(=O)c1cc([N+](=O)[O-])cc2ccccc21)[C@H](C)[NH+]1CCOCC1 ZINC000859228483 1008490218 /nfs/dbraw/zinc/49/02/18/1008490218.db2.gz SJDQMHYYZWLNMA-KBPBESRZSA-N 1 2 357.410 2.587 20 5 FFBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@H]2CCC3(CCC3)CO2)CC1 ZINC000886217722 1008603014 /nfs/dbraw/zinc/60/30/14/1008603014.db2.gz GMRQCNATPPOSMG-MRXNPFEDSA-N 1 2 373.453 2.702 20 5 FFBDLO Cc1c(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n[nH]c1C1CC1 ZINC001136611237 1008717143 /nfs/dbraw/zinc/71/71/43/1008717143.db2.gz GCLVVMZLPQGYCX-UHFFFAOYSA-N 1 2 352.354 2.942 20 5 FFBDLO CCc1[nH]c(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c[nH+]1 ZINC001178661919 1009072506 /nfs/dbraw/zinc/07/25/06/1009072506.db2.gz AUJVKPBFUUXFMI-UHFFFAOYSA-N 1 2 372.303 2.751 20 5 FFBDLO CCc1[nH]cc(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])[nH+]1 ZINC001178661919 1009072519 /nfs/dbraw/zinc/07/25/19/1009072519.db2.gz AUJVKPBFUUXFMI-UHFFFAOYSA-N 1 2 372.303 2.751 20 5 FFBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000794641299 1010438338 /nfs/dbraw/zinc/43/83/38/1010438338.db2.gz VSMRJPVJKNRQTL-CQSZACIVSA-N 1 2 369.377 2.861 20 5 FFBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000794641299 1010438347 /nfs/dbraw/zinc/43/83/47/1010438347.db2.gz VSMRJPVJKNRQTL-CQSZACIVSA-N 1 2 369.377 2.861 20 5 FFBDLO CC[N@@H+](C/C(Cl)=C/Cl)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001274950534 1011773813 /nfs/dbraw/zinc/77/38/13/1011773813.db2.gz QUBUOYDVQCKVEV-GJQIVEAUSA-N 1 2 364.273 2.531 20 5 FFBDLO CC[N@H+](C/C(Cl)=C/Cl)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001274950534 1011773826 /nfs/dbraw/zinc/77/38/26/1011773826.db2.gz QUBUOYDVQCKVEV-GJQIVEAUSA-N 1 2 364.273 2.531 20 5 FFBDLO COc1cccc([C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3C)CC[NH2+]2)c1 ZINC000870149207 1012203270 /nfs/dbraw/zinc/20/32/70/1012203270.db2.gz GBKQAXLPVQYYKH-GOSISDBHSA-N 1 2 355.394 2.699 20 5 FFBDLO COc1cccc([C@@H]2CN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC[NH2+]2)c1 ZINC000870147888 1012203947 /nfs/dbraw/zinc/20/39/47/1012203947.db2.gz SUBNDSFZUIJHTL-VQFGERMISA-N 1 2 367.405 2.790 20 5 FFBDLO Cc1ccc(NCC[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000927071269 1018345109 /nfs/dbraw/zinc/34/51/09/1018345109.db2.gz RTTMOSCVSSQMBA-SFHVURJKSA-N 1 2 366.425 2.823 20 5 FFBDLO COc1ccc(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000927106914 1018369376 /nfs/dbraw/zinc/36/93/76/1018369376.db2.gz SVZSMWLOUCEJQF-UHFFFAOYSA-N 1 2 356.382 2.715 20 5 FFBDLO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000801549015 1019101619 /nfs/dbraw/zinc/10/16/19/1019101619.db2.gz AXMBIIYJIDPJCQ-GOSISDBHSA-N 1 2 357.385 2.967 20 5 FFBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000801549015 1019101630 /nfs/dbraw/zinc/10/16/30/1019101630.db2.gz AXMBIIYJIDPJCQ-GOSISDBHSA-N 1 2 357.385 2.967 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000777737468 1019220410 /nfs/dbraw/zinc/22/04/10/1019220410.db2.gz POKMAXLLZKUCTQ-IBGZPJMESA-N 1 2 373.384 2.574 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000777737468 1019220413 /nfs/dbraw/zinc/22/04/13/1019220413.db2.gz POKMAXLLZKUCTQ-IBGZPJMESA-N 1 2 373.384 2.574 20 5 FFBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC000930680304 1020131932 /nfs/dbraw/zinc/13/19/32/1020131932.db2.gz GFKSPWQZBPYDEO-GXTWGEPZSA-N 1 2 374.363 2.612 20 5 FFBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c1 ZINC000726591963 1020491244 /nfs/dbraw/zinc/49/12/44/1020491244.db2.gz JKJOUTUIIFPJGF-CYBMUJFWSA-N 1 2 372.360 2.818 20 5 FFBDLO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c1 ZINC000726591963 1020491247 /nfs/dbraw/zinc/49/12/47/1020491247.db2.gz JKJOUTUIIFPJGF-CYBMUJFWSA-N 1 2 372.360 2.818 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000749665590 1021019079 /nfs/dbraw/zinc/01/90/79/1021019079.db2.gz NAJGFHRBZFYSOO-MSOLQXFVSA-N 1 2 370.384 2.880 20 5 FFBDLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000934344518 1021202970 /nfs/dbraw/zinc/20/29/70/1021202970.db2.gz JVLYPPTUOWEQRA-GOSISDBHSA-N 1 2 370.409 2.798 20 5 FFBDLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000934344518 1021202978 /nfs/dbraw/zinc/20/29/78/1021202978.db2.gz JVLYPPTUOWEQRA-GOSISDBHSA-N 1 2 370.409 2.798 20 5 FFBDLO COc1ccc(CNC(=O)Nc2ccc(C)[nH+]c2N(C)C)cc1[N+](=O)[O-] ZINC000750387407 1021877497 /nfs/dbraw/zinc/87/74/97/1021877497.db2.gz NVFQCUANLMRHPC-UHFFFAOYSA-N 1 2 359.386 2.695 20 5 FFBDLO O=C1Nc2ccccc2CC[C@@H]1[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000191938346 1023940762 /nfs/dbraw/zinc/94/07/62/1023940762.db2.gz OPMMDNVEISEUFV-IBGZPJMESA-N 1 2 366.421 2.670 20 5 FFBDLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001158861317 1027163427 /nfs/dbraw/zinc/16/34/27/1027163427.db2.gz QHHKURRJTXYQJH-HNNXBMFYSA-N 1 2 363.377 2.890 20 5 FFBDLO COC(=O)c1cnc(N[C@@H](C)c2c[nH+]c3c(C)cccn23)c([N+](=O)[O-])c1 ZINC001160682966 1027802501 /nfs/dbraw/zinc/80/25/01/1027802501.db2.gz JBFXTVJJDFHOED-NSHDSACASA-N 1 2 355.354 2.906 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC001160722137 1027824642 /nfs/dbraw/zinc/82/46/42/1027824642.db2.gz FCHCHHIKSFSQFO-MNOVXSKESA-N 1 2 361.229 2.962 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000796113934 1028475612 /nfs/dbraw/zinc/47/56/12/1028475612.db2.gz JKSQQXYNUUXLMS-UHFFFAOYSA-N 1 2 372.381 2.924 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000796113934 1028475617 /nfs/dbraw/zinc/47/56/17/1028475617.db2.gz JKSQQXYNUUXLMS-UHFFFAOYSA-N 1 2 372.381 2.924 20 5 FFBDLO O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCCCn1cc[nH+]c1 ZINC000781825911 1029430749 /nfs/dbraw/zinc/43/07/49/1029430749.db2.gz LTOVFQQAVVJNTO-UHFFFAOYSA-N 1 2 372.303 2.856 20 5 FFBDLO CC(C)c1[nH]cc(CNC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)[nH+]1 ZINC001157125867 1029475590 /nfs/dbraw/zinc/47/55/90/1029475590.db2.gz ZROJCYJHCGSVFK-UHFFFAOYSA-N 1 2 360.370 2.533 20 5 FFBDLO CC(C)c1[nH]c(CNC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)c[nH+]1 ZINC001157125867 1029475594 /nfs/dbraw/zinc/47/55/94/1029475594.db2.gz ZROJCYJHCGSVFK-UHFFFAOYSA-N 1 2 360.370 2.533 20 5 FFBDLO Cc1ccnc(N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)c1[N+](=O)[O-] ZINC001165692287 1030087152 /nfs/dbraw/zinc/08/71/52/1030087152.db2.gz OKDRIOISSBZKST-HNNXBMFYSA-N 1 2 357.414 2.558 20 5 FFBDLO O=[N+]([O-])c1cn(C[NH+]2CCC(OC3CCC3)CC2)nc1-c1ccncc1 ZINC000841687379 1030403625 /nfs/dbraw/zinc/40/36/25/1030403625.db2.gz GMBSMTFQQXCEDH-UHFFFAOYSA-N 1 2 357.414 2.844 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000799793378 1031888435 /nfs/dbraw/zinc/88/84/35/1031888435.db2.gz ZHKOYJWMVAUGKW-UHFFFAOYSA-N 1 2 373.390 2.916 20 5 FFBDLO Cc1cc([N+](=O)[O-])cnc1O[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001226761143 1034824114 /nfs/dbraw/zinc/82/41/14/1034824114.db2.gz GDJIBVTZNOWOCZ-CRAIPNDOSA-N 1 2 357.410 2.967 20 5 FFBDLO Cc1cc([N+](=O)[O-])cnc1O[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001226761143 1034824128 /nfs/dbraw/zinc/82/41/28/1034824128.db2.gz GDJIBVTZNOWOCZ-CRAIPNDOSA-N 1 2 357.410 2.967 20 5 FFBDLO COC(=O)[C@H]1CCCC[C@H]1OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835263090 1035646895 /nfs/dbraw/zinc/64/68/95/1035646895.db2.gz HCBHMGDXKQOMIC-XJKSGUPXSA-N 1 2 373.365 2.669 20 5 FFBDLO CC[C@@H](OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H](C)C(=O)OC ZINC000836113837 1036245396 /nfs/dbraw/zinc/24/53/96/1036245396.db2.gz YIIJBVMPWXNOKO-IAQYHMDHSA-N 1 2 361.354 2.525 20 5 FFBDLO CC[N@@H+]1CCC[C@H](Oc2[nH]c(=O)nc3nc4cc(C)c(C)cc4nc32)C1 ZINC001228685435 1036254079 /nfs/dbraw/zinc/25/40/79/1036254079.db2.gz HAISFXLEAZCTOL-ZDUSSCGKSA-N 1 2 353.426 2.759 20 5 FFBDLO CC[N@H+]1CCC[C@H](Oc2[nH]c(=O)nc3nc4cc(C)c(C)cc4nc32)C1 ZINC001228685435 1036254096 /nfs/dbraw/zinc/25/40/96/1036254096.db2.gz HAISFXLEAZCTOL-ZDUSSCGKSA-N 1 2 353.426 2.759 20 5 FFBDLO Cc1cc2nc3nc(=O)[nH]c(OC4CC[NH+](C5CC5)CC4)c3nc2cc1C ZINC001228685360 1036255400 /nfs/dbraw/zinc/25/54/00/1036255400.db2.gz FQHXTJDOOTWSPD-UHFFFAOYSA-N 1 2 365.437 2.901 20 5 FFBDLO Cc1nc(O[C@H]2CCC[N@H+](Cc3ccccc3F)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229380078 1036641891 /nfs/dbraw/zinc/64/18/91/1036641891.db2.gz ZEPCNXGEGFSMDG-ZDUSSCGKSA-N 1 2 362.361 2.581 20 5 FFBDLO Cc1nc(O[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229380078 1036641898 /nfs/dbraw/zinc/64/18/98/1036641898.db2.gz ZEPCNXGEGFSMDG-ZDUSSCGKSA-N 1 2 362.361 2.581 20 5 FFBDLO CC(C)[NH+]1CC(Oc2ccc(I)cc2[N+](=O)[O-])C1 ZINC001229941858 1036992496 /nfs/dbraw/zinc/99/24/96/1036992496.db2.gz VEDZPVKDSNXAJF-UHFFFAOYSA-N 1 2 362.167 2.671 20 5 FFBDLO CC[N@@H+]1CC[C@@H](Oc2cc3c(cc2O)oc2cc(O)cc(OC)c2c3=O)C1 ZINC001234801965 1037185323 /nfs/dbraw/zinc/18/53/23/1037185323.db2.gz VVXKJSSOOOHODM-GFCCVEGCSA-N 1 2 371.389 2.839 20 5 FFBDLO CC[N@H+]1CC[C@@H](Oc2cc3c(cc2O)oc2cc(O)cc(OC)c2c3=O)C1 ZINC001234801965 1037185332 /nfs/dbraw/zinc/18/53/32/1037185332.db2.gz VVXKJSSOOOHODM-GFCCVEGCSA-N 1 2 371.389 2.839 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(O[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC001234875068 1037216958 /nfs/dbraw/zinc/21/69/58/1037216958.db2.gz BATBZNQNVCEQEE-RHSMWYFYSA-N 1 2 373.409 2.667 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(O[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC001234875068 1037216964 /nfs/dbraw/zinc/21/69/64/1037216964.db2.gz BATBZNQNVCEQEE-RHSMWYFYSA-N 1 2 373.409 2.667 20 5 FFBDLO COc1cc(N2CCC([NH2+][C@@H](C)C(=O)OC(C)C)CC2)ccc1[N+](=O)[O-] ZINC001256086362 1038371476 /nfs/dbraw/zinc/37/14/76/1038371476.db2.gz VYBVSHOZBZKPQV-ZDUSSCGKSA-N 1 2 365.430 2.502 20 5 FFBDLO CCOC(=O)c1cc(Nc2cc[nH+]c3ccc(OC)nc23)cc([N+](=O)[O-])c1 ZINC001211370230 1040113547 /nfs/dbraw/zinc/11/35/47/1040113547.db2.gz YALRBYANDULZDZ-UHFFFAOYSA-N 1 2 368.349 2.889 20 5 FFBDLO CCOC(=O)c1cnc2n1CC[N@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])[C@@H]2C ZINC001254565938 1040803237 /nfs/dbraw/zinc/80/32/37/1040803237.db2.gz RCMWLXCITBSIKY-ZIAGYGMSSA-N 1 2 372.425 2.976 20 5 FFBDLO CCOC(=O)c1cnc2n1CC[N@@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])[C@@H]2C ZINC001254565938 1040803260 /nfs/dbraw/zinc/80/32/60/1040803260.db2.gz RCMWLXCITBSIKY-ZIAGYGMSSA-N 1 2 372.425 2.976 20 5 FFBDLO O=C(c1ccccc1F)N1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254600756 1040829054 /nfs/dbraw/zinc/82/90/54/1040829054.db2.gz REZOBCSWCRWXLF-QGZVFWFLSA-N 1 2 369.396 2.659 20 5 FFBDLO O=C(c1ccc(F)cc1)N1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254599965 1040829873 /nfs/dbraw/zinc/82/98/73/1040829873.db2.gz NHPHXBYLMYOKCJ-LJQANCHMSA-N 1 2 369.396 2.659 20 5 FFBDLO Cc1cc(C[N@@H+]2CCCN(c3ncnc4cccc([N+](=O)[O-])c43)CC2)no1 ZINC001320971148 1045503658 /nfs/dbraw/zinc/50/36/58/1045503658.db2.gz UFQXLIDOGQVUIB-UHFFFAOYSA-N 1 2 368.397 2.547 20 5 FFBDLO Cc1cc(C[N@H+]2CCCN(c3ncnc4cccc([N+](=O)[O-])c43)CC2)no1 ZINC001320971148 1045503660 /nfs/dbraw/zinc/50/36/60/1045503660.db2.gz UFQXLIDOGQVUIB-UHFFFAOYSA-N 1 2 368.397 2.547 20 5 FFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c(Br)c1 ZINC001329357298 1048683129 /nfs/dbraw/zinc/68/31/29/1048683129.db2.gz 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C[N@@H+](CCc1ccccc1[N+](=O)[O-])CN1C(=O)C[C@H]1Cc1ccccc1 ZINC001345054709 1052226594 /nfs/dbraw/zinc/22/65/94/1052226594.db2.gz DAHGXIFNLRIVKH-GOSISDBHSA-N 1 2 353.422 2.870 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC001307203410 1052266881 /nfs/dbraw/zinc/26/68/81/1052266881.db2.gz ZQMLZKPZSWSWJS-UHFFFAOYSA-N 1 2 352.398 2.842 20 5 FFBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC001307677198 1052334625 /nfs/dbraw/zinc/33/46/25/1052334625.db2.gz VSMUFFZTMKWQKS-UHFFFAOYSA-N 1 2 353.357 2.873 20 5 FFBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC001307677198 1052334628 /nfs/dbraw/zinc/33/46/28/1052334628.db2.gz VSMUFFZTMKWQKS-UHFFFAOYSA-N 1 2 353.357 2.873 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC001335100434 1053216692 /nfs/dbraw/zinc/21/66/92/1053216692.db2.gz KSPJIPUEAJPPSR-HXUWFJFHSA-N 1 2 369.421 2.825 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC001335100434 1053216696 /nfs/dbraw/zinc/21/66/96/1053216696.db2.gz KSPJIPUEAJPPSR-HXUWFJFHSA-N 1 2 369.421 2.825 20 5 FFBDLO Cn1c[nH+]cc1C1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001519059925 1058610314 /nfs/dbraw/zinc/61/03/14/1058610314.db2.gz OLNMQPVROMBRNA-IAGOWNOFSA-N 1 2 354.410 2.838 20 5 FFBDLO O=C(Nc1ccc2nccnc2c1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001354450064 1059024359 /nfs/dbraw/zinc/02/43/59/1059024359.db2.gz RDLYMWXGOIAJQE-UHFFFAOYSA-N 1 2 360.333 2.976 20 5 FFBDLO O=C(N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001451534457 1059124516 /nfs/dbraw/zinc/12/45/16/1059124516.db2.gz TYMBGUDQLFRANF-JRKPZEMJSA-N 1 2 372.278 2.980 20 5 FFBDLO O=C(N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001451534457 1059124526 /nfs/dbraw/zinc/12/45/26/1059124526.db2.gz TYMBGUDQLFRANF-JRKPZEMJSA-N 1 2 372.278 2.980 20 5 FFBDLO CC[C@@H]1C[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C[C@@]2(CCOC2)O1 ZINC000848486430 1060128546 /nfs/dbraw/zinc/12/85/46/1060128546.db2.gz FWGVVPWZWHEEJJ-VQIMIIECSA-N 1 2 372.425 2.686 20 5 FFBDLO CC[C@@H]1C[N@@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C[C@@]2(CCOC2)O1 ZINC000848486430 1060128554 /nfs/dbraw/zinc/12/85/54/1060128554.db2.gz FWGVVPWZWHEEJJ-VQIMIIECSA-N 1 2 372.425 2.686 20 5 FFBDLO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@H](OC3CCC3)C2)nc1-c1ccncc1 ZINC000848498925 1060174264 /nfs/dbraw/zinc/17/42/64/1060174264.db2.gz UPVSHQSEKXHEDQ-INIZCTEOSA-N 1 2 357.414 2.844 20 5 FFBDLO O=[N+]([O-])c1cn(C[N@H+]2CCC[C@H](OC3CCC3)C2)nc1-c1ccncc1 ZINC000848498925 1060174275 /nfs/dbraw/zinc/17/42/75/1060174275.db2.gz UPVSHQSEKXHEDQ-INIZCTEOSA-N 1 2 357.414 2.844 20 5 FFBDLO O=C(N1CCC[C@@H](n2cc[nH+]c2)C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848582185 1060309745 /nfs/dbraw/zinc/30/97/45/1060309745.db2.gz ZCUQBGSTIYFWKC-CYBMUJFWSA-N 1 2 366.324 2.627 20 5 FFBDLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001457917896 1060471944 /nfs/dbraw/zinc/47/19/44/1060471944.db2.gz ZMRHWXSOYYQKQD-GFCCVEGCSA-N 1 2 374.210 2.521 20 5 FFBDLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001457917896 1060471952 /nfs/dbraw/zinc/47/19/52/1060471952.db2.gz ZMRHWXSOYYQKQD-GFCCVEGCSA-N 1 2 374.210 2.521 20 5 FFBDLO O=C(Oc1cccc2c1OCCO2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001521454055 1060598363 /nfs/dbraw/zinc/59/83/63/1060598363.db2.gz KPGFYKUVYBLMTP-UHFFFAOYSA-N 1 2 367.317 2.771 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCn2nc(C(F)(F)F)cc2C1 ZINC001460876483 1061136143 /nfs/dbraw/zinc/13/61/43/1061136143.db2.gz DPZOLPFULSLOQQ-UHFFFAOYSA-N 1 2 356.304 2.835 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCn2nc(C(F)(F)F)cc2C1 ZINC001460876483 1061136151 /nfs/dbraw/zinc/13/61/51/1061136151.db2.gz DPZOLPFULSLOQQ-UHFFFAOYSA-N 1 2 356.304 2.835 20 5 FFBDLO CC1(C)CCC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)O1 ZINC001463234394 1062006904 /nfs/dbraw/zinc/00/69/04/1062006904.db2.gz PHNMKFZHBIYRMS-AWEZNQCLSA-N 1 2 358.398 2.858 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC001436062773 1062627649 /nfs/dbraw/zinc/62/76/49/1062627649.db2.gz VHLAXBUZDOVDFD-UHFFFAOYSA-N 1 2 369.425 2.851 20 5 FFBDLO Cc1ccc(C)c(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC001464473524 1062631199 /nfs/dbraw/zinc/63/11/99/1062631199.db2.gz XSMPFMRGDSOFRO-CQSZACIVSA-N 1 2 369.487 2.562 20 5 FFBDLO Cc1ccc(C)c(S(=O)(=O)N2CC[N@H+](C)[C@@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC001464473524 1062631218 /nfs/dbraw/zinc/63/12/18/1062631218.db2.gz XSMPFMRGDSOFRO-CQSZACIVSA-N 1 2 369.487 2.562 20 5 FFBDLO Cc1cccnc1CCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001525705803 1063390858 /nfs/dbraw/zinc/39/08/58/1063390858.db2.gz MDYNJHHJEKKYIQ-UHFFFAOYSA-N 1 2 365.393 2.847 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC(Cc2ccco2)C1 ZINC001470112658 1064260008 /nfs/dbraw/zinc/26/00/08/1064260008.db2.gz JPWBIXPMVXVFSE-UHFFFAOYSA-N 1 2 352.350 2.688 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC001473753007 1065347224 /nfs/dbraw/zinc/34/72/24/1065347224.db2.gz XKCZHXQVUYAXDH-PVAVHDDUSA-N 1 2 366.421 2.885 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC001473753007 1065347239 /nfs/dbraw/zinc/34/72/39/1065347239.db2.gz XKCZHXQVUYAXDH-PVAVHDDUSA-N 1 2 366.421 2.885 20 5 FFBDLO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001474060807 1065448766 /nfs/dbraw/zinc/44/87/66/1065448766.db2.gz BJPMDCKOBHMODW-HZMBPMFUSA-N 1 2 354.248 2.930 20 5 FFBDLO CC(C)OC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC001560153599 1076237448 /nfs/dbraw/zinc/23/74/48/1076237448.db2.gz KYKYULAJRVRPMM-ZDUSSCGKSA-N 1 2 363.414 2.585 20 5 FFBDLO CCOC(=O)[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC001560187328 1076243378 /nfs/dbraw/zinc/24/33/78/1076243378.db2.gz FSYBPPUNQGSDSI-JTQLQIEISA-N 1 2 357.204 2.742 20 5 FFBDLO CCOC(=O)[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC001560187328 1076243382 /nfs/dbraw/zinc/24/33/82/1076243382.db2.gz FSYBPPUNQGSDSI-JTQLQIEISA-N 1 2 357.204 2.742 20 5 FFBDLO CC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C(=O)NCc1cccs1 ZINC001560905155 1076308429 /nfs/dbraw/zinc/30/84/29/1076308429.db2.gz SIVYHTOZTABRHC-CYBMUJFWSA-N 1 2 374.422 2.982 20 5 FFBDLO C[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1cccc(-c2nn[nH]n2)c1 ZINC001589965927 1080909288 /nfs/dbraw/zinc/90/92/88/1080909288.db2.gz SPFGDKQMAQJBQO-SECBINFHSA-N 1 2 360.324 2.904 20 5 FFBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2nnc(-c3ccccc3)o2)CC1 ZINC000016564480 249323366 /nfs/dbraw/zinc/32/33/66/249323366.db2.gz USBJWDNOALIJPY-UHFFFAOYSA-N 1 2 365.393 2.967 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000093920484 250049780 /nfs/dbraw/zinc/04/97/80/250049780.db2.gz PAYCJEQIKUJSBZ-UHFFFAOYSA-N 1 2 368.437 2.873 20 5 FFBDLO Cc1cc(C[C@H](C)[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)n[nH]1 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/nfs/dbraw/zinc/28/68/53/506286853.db2.gz XJQQWIQNUKJCIB-UHFFFAOYSA-N 1 2 352.350 2.758 20 5 FFBDLO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@H](C)O2 ZINC000366814164 512197896 /nfs/dbraw/zinc/19/78/96/512197896.db2.gz YFPPIYYTLOLEJD-IGCXYCKISA-N 1 2 365.386 2.661 20 5 FFBDLO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@H](C)O2 ZINC000366814164 512197902 /nfs/dbraw/zinc/19/79/02/512197902.db2.gz YFPPIYYTLOLEJD-IGCXYCKISA-N 1 2 365.386 2.661 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000067540428 506917409 /nfs/dbraw/zinc/91/74/09/506917409.db2.gz MLGQKQLDFRDSRA-SFHVURJKSA-N 1 2 355.394 2.732 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000067540428 506917417 /nfs/dbraw/zinc/91/74/17/506917417.db2.gz MLGQKQLDFRDSRA-SFHVURJKSA-N 1 2 355.394 2.732 20 5 FFBDLO Cc1sc(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000045142005 506924008 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FFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000048372403 507509617 /nfs/dbraw/zinc/50/96/17/507509617.db2.gz PHGVPEXDJBYCDK-UHFFFAOYSA-N 1 2 355.398 2.614 20 5 FFBDLO CCOc1ccc(C(=O)NCc2cn3cc(C)ccc3[nH+]2)cc1[N+](=O)[O-] ZINC000060403232 507539390 /nfs/dbraw/zinc/53/93/90/507539390.db2.gz SEUMTUJFELHESH-UHFFFAOYSA-N 1 2 354.366 2.880 20 5 FFBDLO CC(C)C[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000026062557 507555289 /nfs/dbraw/zinc/55/52/89/507555289.db2.gz RAFYVESFGJKXIK-AWEZNQCLSA-N 1 2 369.849 2.725 20 5 FFBDLO Cc1ccc(NC(=O)NC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000026347478 507581092 /nfs/dbraw/zinc/58/10/92/507581092.db2.gz NIJKMDOQZHUTSI-UHFFFAOYSA-N 1 2 370.409 2.992 20 5 FFBDLO Cc1ccc(NC(=O)NC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000026347478 507581095 /nfs/dbraw/zinc/58/10/95/507581095.db2.gz NIJKMDOQZHUTSI-UHFFFAOYSA-N 1 2 370.409 2.992 20 5 FFBDLO O=C(C[N@@H+]1CCC[C@H](C(F)(F)F)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000027350554 507649574 /nfs/dbraw/zinc/64/95/74/507649574.db2.gz IBWOCUBGVGOKBG-LBPRGKRZSA-N 1 2 357.332 2.758 20 5 FFBDLO O=C(C[N@H+]1CCC[C@H](C(F)(F)F)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000027350554 507649583 /nfs/dbraw/zinc/64/95/83/507649583.db2.gz IBWOCUBGVGOKBG-LBPRGKRZSA-N 1 2 357.332 2.758 20 5 FFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000027471379 507661081 /nfs/dbraw/zinc/66/10/81/507661081.db2.gz SEZXOVAKJUWIAV-UHFFFAOYSA-N 1 2 364.405 2.741 20 5 FFBDLO COc1cccc([C@H](NC(=O)c2ccc([N+](=O)[O-])s2)c2[nH+]ccn2C)c1 ZINC000029093100 507759120 /nfs/dbraw/zinc/75/91/20/507759120.db2.gz CYYADYKTYPLHIO-HNNXBMFYSA-N 1 2 372.406 2.918 20 5 FFBDLO COc1cccc(CN(C)C(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000051383106 507766492 /nfs/dbraw/zinc/76/64/92/507766492.db2.gz SXUHAIKRYWUPDH-UHFFFAOYSA-N 1 2 357.410 2.694 20 5 FFBDLO COc1cccc(CN(C)C(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000051383106 507766494 /nfs/dbraw/zinc/76/64/94/507766494.db2.gz 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O=C1CCCN1[C@@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089897486 507880211 /nfs/dbraw/zinc/88/02/11/507880211.db2.gz MXMGYADSAPGWFG-QGZVFWFLSA-N 1 2 370.409 2.837 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCOC4(CCOCC4)C3)co2)cc1 ZINC000089910194 507882302 /nfs/dbraw/zinc/88/23/02/507882302.db2.gz NUZTYRNIYZKQKX-UHFFFAOYSA-N 1 2 359.382 2.631 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCOC4(CCOCC4)C3)co2)cc1 ZINC000089910194 507882304 /nfs/dbraw/zinc/88/23/04/507882304.db2.gz NUZTYRNIYZKQKX-UHFFFAOYSA-N 1 2 359.382 2.631 20 5 FFBDLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000110768068 508047067 /nfs/dbraw/zinc/04/70/67/508047067.db2.gz OLWKJLRZRGZKEI-LBPRGKRZSA-N 1 2 360.395 2.603 20 5 FFBDLO CC(C)[C@@]1(CO)CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000377650304 512377066 /nfs/dbraw/zinc/37/70/66/512377066.db2.gz LWCQXBQAOWMXDR-PXAZEXFGSA-N 1 2 369.849 2.916 20 5 FFBDLO CC(C)[C@@]1(CO)CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000377650304 512377068 /nfs/dbraw/zinc/37/70/68/512377068.db2.gz LWCQXBQAOWMXDR-PXAZEXFGSA-N 1 2 369.849 2.916 20 5 FFBDLO O=[N+]([O-])c1ccc(OCCC[NH2+][C@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC000375527135 512378252 /nfs/dbraw/zinc/37/82/52/512378252.db2.gz WNGGNQZJQFIYFE-KRWDZBQOSA-N 1 2 353.382 2.861 20 5 FFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)c2ccccc2O)CC1 ZINC000080930227 508114357 /nfs/dbraw/zinc/11/43/57/508114357.db2.gz GDGDFKNZKUMDEQ-AWEZNQCLSA-N 1 2 355.394 2.819 20 5 FFBDLO CC(C)[N@H+](CC(=O)NCC(=O)c1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000083169229 508238228 /nfs/dbraw/zinc/23/82/28/508238228.db2.gz WVCYAIYBNNMLNZ-UHFFFAOYSA-N 1 2 369.421 2.804 20 5 FFBDLO CC(C)[N@@H+](CC(=O)NCC(=O)c1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000083169229 508238230 /nfs/dbraw/zinc/23/82/30/508238230.db2.gz WVCYAIYBNNMLNZ-UHFFFAOYSA-N 1 2 369.421 2.804 20 5 FFBDLO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113349763 508261839 /nfs/dbraw/zinc/26/18/39/508261839.db2.gz WEUIGPKSAJNLQX-NSHDSACASA-N 1 2 369.468 2.631 20 5 FFBDLO C[C@@H](C(=O)NCCc1ccccc1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607433 508379190 /nfs/dbraw/zinc/37/91/90/508379190.db2.gz YGJHXVDNIQLIMI-HNNXBMFYSA-N 1 2 353.422 2.700 20 5 FFBDLO C[C@@H](C(=O)NCCc1ccccc1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607433 508379192 /nfs/dbraw/zinc/37/91/92/508379192.db2.gz YGJHXVDNIQLIMI-HNNXBMFYSA-N 1 2 353.422 2.700 20 5 FFBDLO O=C(COc1cccc([N+](=O)[O-])c1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000106080286 508392335 /nfs/dbraw/zinc/39/23/35/508392335.db2.gz ANEMJSJZBGXINA-UHFFFAOYSA-N 1 2 366.377 2.535 20 5 FFBDLO CCOC(=O)c1ccnc(NCC[NH+]2Cc3ccccc3C2)c1[N+](=O)[O-] ZINC000077937778 508393719 /nfs/dbraw/zinc/39/37/19/508393719.db2.gz GCEORJHNATWJBT-UHFFFAOYSA-N 1 2 356.382 2.594 20 5 FFBDLO Cc1ccc(CO)cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000156398179 508414034 /nfs/dbraw/zinc/41/40/34/508414034.db2.gz UBJSBGWTHVFTAW-UHFFFAOYSA-N 1 2 352.350 2.834 20 5 FFBDLO CN(C)C(=O)N1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000133570744 508417923 /nfs/dbraw/zinc/41/79/23/508417923.db2.gz ACFARGPJLNIVHM-UHFFFAOYSA-N 1 2 358.398 2.654 20 5 FFBDLO CN(C)C(=O)N1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000133604744 508423753 /nfs/dbraw/zinc/42/37/53/508423753.db2.gz KSTFAWQSQMPHOO-UHFFFAOYSA-N 1 2 358.398 2.654 20 5 FFBDLO Cc1ccc(C[NH+]2CCN(Cc3cn4ccccc4n3)CC2)cc1[N+](=O)[O-] ZINC000121890235 508441766 /nfs/dbraw/zinc/44/17/66/508441766.db2.gz DWUGFSUWBMGDKJ-UHFFFAOYSA-N 1 2 365.437 2.869 20 5 FFBDLO Cc1cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)cc([N+](=O)[O-])c1 ZINC000121952412 508455339 /nfs/dbraw/zinc/45/53/39/508455339.db2.gz JOAXFYSCZJLWGN-LJQANCHMSA-N 1 2 369.421 2.707 20 5 FFBDLO Cc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000153351120 508574694 /nfs/dbraw/zinc/57/46/94/508574694.db2.gz KRVULTOBXWCLIO-OAHLLOKOSA-N 1 2 353.422 2.966 20 5 FFBDLO Cc1ccc(CNC(=O)[C@@H](C)[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000153351120 508574697 /nfs/dbraw/zinc/57/46/97/508574697.db2.gz KRVULTOBXWCLIO-OAHLLOKOSA-N 1 2 353.422 2.966 20 5 FFBDLO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@@H]1CCS(=O)(=O)C1 ZINC000157595044 508585594 /nfs/dbraw/zinc/58/55/94/508585594.db2.gz VJKLSLGFCAPHPE-GFCCVEGCSA-N 1 2 366.464 2.942 20 5 FFBDLO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@@H]1CCS(=O)(=O)C1 ZINC000157595044 508585598 /nfs/dbraw/zinc/58/55/98/508585598.db2.gz VJKLSLGFCAPHPE-GFCCVEGCSA-N 1 2 366.464 2.942 20 5 FFBDLO CC[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCN1CC(F)F ZINC000153740133 508638506 /nfs/dbraw/zinc/63/85/06/508638506.db2.gz IAHIXQNXIAJJLP-LLVKDONJSA-N 1 2 354.357 2.897 20 5 FFBDLO CC[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCN1CC(F)F ZINC000153740133 508638510 /nfs/dbraw/zinc/63/85/10/508638510.db2.gz IAHIXQNXIAJJLP-LLVKDONJSA-N 1 2 354.357 2.897 20 5 FFBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(NCCCCNc2cccc[nH+]2)s1 ZINC000129158066 508692169 /nfs/dbraw/zinc/69/21/69/508692169.db2.gz RMLWTHQIBBPDSA-UHFFFAOYSA-N 1 2 370.456 2.759 20 5 FFBDLO C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCCCNC1=O ZINC000123829087 508744640 /nfs/dbraw/zinc/74/46/40/508744640.db2.gz QQHMKPIPNCCDEV-OAHLLOKOSA-N 1 2 360.439 2.819 20 5 FFBDLO C[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCCCNC1=O ZINC000123829087 508744642 /nfs/dbraw/zinc/74/46/42/508744642.db2.gz QQHMKPIPNCCDEV-OAHLLOKOSA-N 1 2 360.439 2.819 20 5 FFBDLO O=C(Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000137502480 508757900 /nfs/dbraw/zinc/75/79/00/508757900.db2.gz YBOWGWWETRFYHM-UHFFFAOYSA-N 1 2 352.354 2.770 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000154683047 508832949 /nfs/dbraw/zinc/83/29/49/508832949.db2.gz IPMRDZIVJGBGBL-CQSZACIVSA-N 1 2 364.361 2.832 20 5 FFBDLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000159381176 508834366 /nfs/dbraw/zinc/83/43/66/508834366.db2.gz LLTWMBUYLJRSOZ-CQSZACIVSA-N 1 2 355.394 2.647 20 5 FFBDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000159381176 508834368 /nfs/dbraw/zinc/83/43/68/508834368.db2.gz LLTWMBUYLJRSOZ-CQSZACIVSA-N 1 2 355.394 2.647 20 5 FFBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000159496752 508850011 /nfs/dbraw/zinc/85/00/11/508850011.db2.gz DRJGRJODDBRCJQ-UHFFFAOYSA-N 1 2 369.425 2.632 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](OCC(C)C)C2)c([N+](=O)[O-])c1 ZINC000119923759 508891431 /nfs/dbraw/zinc/89/14/31/508891431.db2.gz ZTHVWBXRGHEWDQ-HNNXBMFYSA-N 1 2 365.430 2.679 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](OCC(C)C)C2)c([N+](=O)[O-])c1 ZINC000119923759 508891434 /nfs/dbraw/zinc/89/14/34/508891434.db2.gz ZTHVWBXRGHEWDQ-HNNXBMFYSA-N 1 2 365.430 2.679 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](OCC(C)C)C2)c([N+](=O)[O-])c1 ZINC000119923904 508891454 /nfs/dbraw/zinc/89/14/54/508891454.db2.gz ZTHVWBXRGHEWDQ-OAHLLOKOSA-N 1 2 365.430 2.679 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](OCC(C)C)C2)c([N+](=O)[O-])c1 ZINC000119923904 508891457 /nfs/dbraw/zinc/89/14/57/508891457.db2.gz ZTHVWBXRGHEWDQ-OAHLLOKOSA-N 1 2 365.430 2.679 20 5 FFBDLO C[C@H](SCC[NH+]1CCOCC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000159922929 508911566 /nfs/dbraw/zinc/91/15/66/508911566.db2.gz HXZAGWPJYRRMBJ-LBPRGKRZSA-N 1 2 364.427 2.771 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000120142476 508937046 /nfs/dbraw/zinc/93/70/46/508937046.db2.gz MHGUZOKVVBJRMV-UHFFFAOYSA-N 1 2 355.398 2.961 20 5 FFBDLO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1nc(-c2cccnc2)no1 ZINC000120247053 508957778 /nfs/dbraw/zinc/95/77/78/508957778.db2.gz BCXDBVZLLJZSGK-UHFFFAOYSA-N 1 2 355.354 2.551 20 5 FFBDLO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1nc(-c2cccnc2)no1 ZINC000120247053 508957781 /nfs/dbraw/zinc/95/77/81/508957781.db2.gz BCXDBVZLLJZSGK-UHFFFAOYSA-N 1 2 355.354 2.551 20 5 FFBDLO O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000377743304 512428677 /nfs/dbraw/zinc/42/86/77/512428677.db2.gz PMSRTGSMOJHEAA-UHFFFAOYSA-N 1 2 373.384 2.788 20 5 FFBDLO O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000377743304 512428684 /nfs/dbraw/zinc/42/86/84/512428684.db2.gz PMSRTGSMOJHEAA-UHFFFAOYSA-N 1 2 373.384 2.788 20 5 FFBDLO Cc1cccn2cc(CNC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)[nH+]c12 ZINC000132023851 508990194 /nfs/dbraw/zinc/99/01/94/508990194.db2.gz HOOWHAWPVQWFBX-UHFFFAOYSA-N 1 2 363.377 2.891 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1CN1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000120437899 508996482 /nfs/dbraw/zinc/99/64/82/508996482.db2.gz REMYSQZFXPESNP-OAHLLOKOSA-N 1 2 356.426 2.877 20 5 FFBDLO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000125807718 509032416 /nfs/dbraw/zinc/03/24/16/509032416.db2.gz QAWCYMWQGMWFSD-UHFFFAOYSA-N 1 2 361.373 2.644 20 5 FFBDLO COc1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000132666163 509059216 /nfs/dbraw/zinc/05/92/16/509059216.db2.gz ALDKVXVVVKDGJQ-UHFFFAOYSA-N 1 2 355.394 2.561 20 5 FFBDLO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000132807482 509077499 /nfs/dbraw/zinc/07/74/99/509077499.db2.gz DIVWGGIGEIGZMG-INIZCTEOSA-N 1 2 356.407 2.592 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@@H](Oc4ccncc4)C3)n2)cc1 ZINC000156337102 509161900 /nfs/dbraw/zinc/16/19/00/509161900.db2.gz DZUPIINUKDMRQI-MRXNPFEDSA-N 1 2 367.365 2.693 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@@H](Oc4ccncc4)C3)n2)cc1 ZINC000156337102 509161902 /nfs/dbraw/zinc/16/19/02/509161902.db2.gz DZUPIINUKDMRQI-MRXNPFEDSA-N 1 2 367.365 2.693 20 5 FFBDLO NC(=O)c1ccc(N2CC[NH+](Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)cc1 ZINC000266940252 509268545 /nfs/dbraw/zinc/26/85/45/509268545.db2.gz PPFGSCQVLLZNTH-UHFFFAOYSA-N 1 2 374.828 2.669 20 5 FFBDLO O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccccc1C[NH+]1CCOCC1 ZINC000172847470 509269903 /nfs/dbraw/zinc/26/99/03/509269903.db2.gz NPUOGZNPIVAJCU-UHFFFAOYSA-N 1 2 355.394 2.608 20 5 FFBDLO C[C@H](C(=O)NCCc1cn2ccccc2[nH+]1)c1ccc([N+](=O)[O-])cc1F ZINC000182505291 509274068 /nfs/dbraw/zinc/27/40/68/509274068.db2.gz QTMXBQJWYKRREA-LBPRGKRZSA-N 1 2 356.357 2.844 20 5 FFBDLO Cc1cc(C)c(S(=O)(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000192026041 509304000 /nfs/dbraw/zinc/30/40/00/509304000.db2.gz WXCALCZJHDKXSP-ZDUSSCGKSA-N 1 2 364.427 2.851 20 5 FFBDLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000179333643 509380978 /nfs/dbraw/zinc/38/09/78/509380978.db2.gz RKXZGBLTWONGDF-HNNXBMFYSA-N 1 2 360.439 2.819 20 5 FFBDLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000179333643 509380985 /nfs/dbraw/zinc/38/09/85/509380985.db2.gz RKXZGBLTWONGDF-HNNXBMFYSA-N 1 2 360.439 2.819 20 5 FFBDLO C[C@@H]1CO[C@@H](c2ccccc2Cl)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176239982 509397992 /nfs/dbraw/zinc/39/79/92/509397992.db2.gz HXSSSUYKVDFKJI-IUODEOHRSA-N 1 2 350.806 2.907 20 5 FFBDLO C[C@@H]1CO[C@@H](c2ccccc2Cl)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176239982 509397999 /nfs/dbraw/zinc/39/79/99/509397999.db2.gz HXSSSUYKVDFKJI-IUODEOHRSA-N 1 2 350.806 2.907 20 5 FFBDLO COCC1=CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000185894676 509410934 /nfs/dbraw/zinc/41/09/34/509410934.db2.gz AOIJHYBATNNVBF-NSHDSACASA-N 1 2 353.806 2.854 20 5 FFBDLO COCC1=CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000185894676 509410939 /nfs/dbraw/zinc/41/09/39/509410939.db2.gz AOIJHYBATNNVBF-NSHDSACASA-N 1 2 353.806 2.854 20 5 FFBDLO COC(=O)c1cnc(NCCCc2[nH+]c3ccccc3n2C)c([N+](=O)[O-])c1 ZINC000189332894 509525506 /nfs/dbraw/zinc/52/55/06/509525506.db2.gz NMFUVDNWYSCTBW-UHFFFAOYSA-N 1 2 369.381 2.708 20 5 FFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000176491440 509542833 /nfs/dbraw/zinc/54/28/33/509542833.db2.gz ZXFQWHMRYHXQAO-UHFFFAOYSA-N 1 2 365.393 2.667 20 5 FFBDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192634636 509574675 /nfs/dbraw/zinc/57/46/75/509574675.db2.gz CWGLDELUZVTAFQ-CYBMUJFWSA-N 1 2 371.393 2.825 20 5 FFBDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192634636 509574679 /nfs/dbraw/zinc/57/46/79/509574679.db2.gz CWGLDELUZVTAFQ-CYBMUJFWSA-N 1 2 371.393 2.825 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000192653840 509584253 /nfs/dbraw/zinc/58/42/53/509584253.db2.gz JPPZCPDFSIKDHN-XJKSGUPXSA-N 1 2 371.393 2.694 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000192653840 509584257 /nfs/dbraw/zinc/58/42/57/509584257.db2.gz JPPZCPDFSIKDHN-XJKSGUPXSA-N 1 2 371.393 2.694 20 5 FFBDLO CCOC(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173472937 509622727 /nfs/dbraw/zinc/62/27/27/509622727.db2.gz FSZTTXIBRHSXKR-MAUKXSAKSA-N 1 2 370.409 2.780 20 5 FFBDLO CCOC(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173472937 509622734 /nfs/dbraw/zinc/62/27/34/509622734.db2.gz FSZTTXIBRHSXKR-MAUKXSAKSA-N 1 2 370.409 2.780 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(C(=O)c2ccccc2O)CC1 ZINC000183286457 509698182 /nfs/dbraw/zinc/69/81/82/509698182.db2.gz PGLMRVZBRKZNGY-UHFFFAOYSA-N 1 2 355.394 2.567 20 5 FFBDLO O=C(C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Nc1nccs1 ZINC000173799488 509785691 /nfs/dbraw/zinc/78/56/91/509785691.db2.gz WYBOFTJQCVBBIM-UHFFFAOYSA-N 1 2 362.411 2.533 20 5 FFBDLO O=C(NCCC[C@H]1CCCCO1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000183482262 509816733 /nfs/dbraw/zinc/81/67/33/509816733.db2.gz KQGWULLOHXFKLE-OAHLLOKOSA-N 1 2 358.398 2.860 20 5 FFBDLO C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@H](C)[NH+]1CCOCC1 ZINC000170885535 509832516 /nfs/dbraw/zinc/83/25/16/509832516.db2.gz GGFSATKLFFSCTK-NEPJUHHUSA-N 1 2 363.439 2.649 20 5 FFBDLO C[C@H]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@H]1n1cc[nH+]c1 ZINC000268348651 509881245 /nfs/dbraw/zinc/88/12/45/509881245.db2.gz CNBWIKSHXCJVFI-YVEFUNNKSA-N 1 2 353.382 2.996 20 5 FFBDLO C[C@H]1C[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1c1ccccc1 ZINC000245421228 509920725 /nfs/dbraw/zinc/92/07/25/509920725.db2.gz HVGGYGGATQNMIJ-HXPMCKFVSA-N 1 2 369.377 2.955 20 5 FFBDLO C[C@H]1C[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1c1ccccc1 ZINC000245421228 509920732 /nfs/dbraw/zinc/92/07/32/509920732.db2.gz HVGGYGGATQNMIJ-HXPMCKFVSA-N 1 2 369.377 2.955 20 5 FFBDLO O=C(c1cccc(O)c1)N1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255623483 509932100 /nfs/dbraw/zinc/93/21/00/509932100.db2.gz UPZLDCJXJUNRQC-DAXSKMNVSA-N 1 2 367.405 2.772 20 5 FFBDLO Cc1c(Br)cc(S(=O)(=O)Nc2cc[nH+]cc2)cc1[N+](=O)[O-] ZINC000174608512 510204648 /nfs/dbraw/zinc/20/46/48/510204648.db2.gz GJYQNGQBKIKNCM-UHFFFAOYSA-N 1 2 372.200 2.862 20 5 FFBDLO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccco1 ZINC000184579439 510398952 /nfs/dbraw/zinc/39/89/52/510398952.db2.gz IWMLENBHNAPWSN-FZMZJTMJSA-N 1 2 363.370 2.501 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000184615581 510419042 /nfs/dbraw/zinc/41/90/42/510419042.db2.gz NILBWWHQEQNOEK-UHFFFAOYSA-N 1 2 355.394 2.649 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000184615581 510419047 /nfs/dbraw/zinc/41/90/47/510419047.db2.gz NILBWWHQEQNOEK-UHFFFAOYSA-N 1 2 355.394 2.649 20 5 FFBDLO CCc1cc(NC[C@](C)(O)CCOC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000171945446 510467019 /nfs/dbraw/zinc/46/70/19/510467019.db2.gz YORMVMFJLYZGEY-GOSISDBHSA-N 1 2 360.414 2.814 20 5 FFBDLO COC(=O)[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1C ZINC000188110074 510599023 /nfs/dbraw/zinc/59/90/23/510599023.db2.gz UUJHNJSXPVILJB-MFKMUULPSA-N 1 2 358.341 2.827 20 5 FFBDLO COC(=O)[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1C ZINC000188110074 510599030 /nfs/dbraw/zinc/59/90/30/510599030.db2.gz UUJHNJSXPVILJB-MFKMUULPSA-N 1 2 358.341 2.827 20 5 FFBDLO Cc1c(Br)cc(C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000269976046 510626058 /nfs/dbraw/zinc/62/60/58/510626058.db2.gz NLIOKYFUHZKYTI-SECBINFHSA-N 1 2 367.203 2.681 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2c2ccncc2)cc1 ZINC000182270676 510839457 /nfs/dbraw/zinc/83/94/57/510839457.db2.gz AECVFCODIGLJOF-QGZVFWFLSA-N 1 2 361.423 2.601 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2c2ccncc2)cc1 ZINC000182270676 510839462 /nfs/dbraw/zinc/83/94/62/510839462.db2.gz AECVFCODIGLJOF-QGZVFWFLSA-N 1 2 361.423 2.601 20 5 FFBDLO O=C(CCNc1ccccc1[N+](=O)[O-])NCc1cc[nH+]c(N2CCCC2)c1 ZINC000247351650 510858249 /nfs/dbraw/zinc/85/82/49/510858249.db2.gz WCTCNEXEESJACV-UHFFFAOYSA-N 1 2 369.425 2.708 20 5 FFBDLO COc1ccc(NC(=O)C[NH2+][C@H](C)c2c(F)cncc2F)c([N+](=O)[O-])c1 ZINC000285477747 510922354 /nfs/dbraw/zinc/92/23/54/510922354.db2.gz BOTHFGTWULPKKA-SECBINFHSA-N 1 2 366.324 2.566 20 5 FFBDLO Cc1c(NC(=O)N[C@H](c2[nH+]ccn2C)C(C)(C)CO)cccc1[N+](=O)[O-] ZINC000297779746 511066578 /nfs/dbraw/zinc/06/65/78/511066578.db2.gz MOEBJZMXDDLKKO-CQSZACIVSA-N 1 2 361.402 2.518 20 5 FFBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CC[NH+](C3CCCCC3)CC2)s1 ZINC000271443643 511206273 /nfs/dbraw/zinc/20/62/73/511206273.db2.gz VUSWMUXLXFBTFV-UHFFFAOYSA-N 1 2 373.500 2.515 20 5 FFBDLO Cc1cc(N2C[C@@H](C)O[C@]3(CCOC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000280119428 511341602 /nfs/dbraw/zinc/34/16/02/511341602.db2.gz CLPNKTIOJDIVRR-AUUYWEPGSA-N 1 2 370.409 2.744 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000298728896 511391105 /nfs/dbraw/zinc/39/11/05/511391105.db2.gz RDIQFESZHUBWOC-UHFFFAOYSA-N 1 2 364.409 2.898 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000365407081 511432753 /nfs/dbraw/zinc/43/27/53/511432753.db2.gz YVBNBRFJGNWPKL-CYBMUJFWSA-N 1 2 357.414 2.587 20 5 FFBDLO C[C@H](NC(=O)N1CC[NH+](Cc2cccnc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000298962097 511466477 /nfs/dbraw/zinc/46/64/77/511466477.db2.gz NBNODZHNOIZFPP-HNNXBMFYSA-N 1 2 369.425 2.578 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000295712966 511492670 /nfs/dbraw/zinc/49/26/70/511492670.db2.gz GGLUCTHSMWHXLU-UHFFFAOYSA-N 1 2 368.393 2.726 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC=C(c2cccnc2)C1 ZINC000295712966 511492672 /nfs/dbraw/zinc/49/26/72/511492672.db2.gz GGLUCTHSMWHXLU-UHFFFAOYSA-N 1 2 368.393 2.726 20 5 FFBDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283815833 511508587 /nfs/dbraw/zinc/50/85/87/511508587.db2.gz YIIABKUAHGUACA-CABCVRRESA-N 1 2 367.409 2.587 20 5 FFBDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283815833 511508589 /nfs/dbraw/zinc/50/85/89/511508589.db2.gz YIIABKUAHGUACA-CABCVRRESA-N 1 2 367.409 2.587 20 5 FFBDLO C[C@@H]1C[C@@H](CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000273553600 511530922 /nfs/dbraw/zinc/53/09/22/511530922.db2.gz MMGNOLVODZAIAJ-KGLIPLIRSA-N 1 2 358.398 2.716 20 5 FFBDLO Cc1cc(N2CCC(F)(F)[C@@H](CO)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000292395737 511581844 /nfs/dbraw/zinc/58/18/44/511581844.db2.gz RGBYHWPLMYXGHT-CYBMUJFWSA-N 1 2 364.352 2.814 20 5 FFBDLO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cccc(O)c3[N+](=O)[O-])C2)CC1 ZINC000280740506 511584121 /nfs/dbraw/zinc/58/41/21/511584121.db2.gz JOWXIFRDNZGPPP-HNNXBMFYSA-N 1 2 361.442 2.885 20 5 FFBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299568941 511664922 /nfs/dbraw/zinc/66/49/22/511664922.db2.gz BJOKPZPFKCSPIF-UHFFFAOYSA-N 1 2 357.414 2.916 20 5 FFBDLO O=[N+]([O-])c1c[nH]c(-c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)c1 ZINC000349836139 511672135 /nfs/dbraw/zinc/67/21/35/511672135.db2.gz DLCUMAOIRUWDDW-OAHLLOKOSA-N 1 2 355.354 2.546 20 5 FFBDLO O=[N+]([O-])c1c[nH]c(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)c1 ZINC000349836139 511672140 /nfs/dbraw/zinc/67/21/40/511672140.db2.gz DLCUMAOIRUWDDW-OAHLLOKOSA-N 1 2 355.354 2.546 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000281267582 511782237 /nfs/dbraw/zinc/78/22/37/511782237.db2.gz AWZPAJLRJFISNO-CYBMUJFWSA-N 1 2 371.397 2.789 20 5 FFBDLO COC[C@]1(C)CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000296551545 511793369 /nfs/dbraw/zinc/79/33/69/511793369.db2.gz BXLOWMBWIIODFL-BDJLRTHQSA-N 1 2 355.822 2.934 20 5 FFBDLO COC[C@]1(C)CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000296551545 511793377 /nfs/dbraw/zinc/79/33/77/511793377.db2.gz BXLOWMBWIIODFL-BDJLRTHQSA-N 1 2 355.822 2.934 20 5 FFBDLO Cc1cc(F)c(NC(=O)N2CC[NH+](Cc3ccco3)CC2)cc1[N+](=O)[O-] ZINC000296667497 511844385 /nfs/dbraw/zinc/84/43/85/511844385.db2.gz HDTMQMHTEGLUED-UHFFFAOYSA-N 1 2 362.361 2.985 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000281630389 511914469 /nfs/dbraw/zinc/91/44/69/511914469.db2.gz QLCRLGUJTTUZNP-DOTOQJQBSA-N 1 2 372.425 2.978 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000274773126 511938069 /nfs/dbraw/zinc/93/80/69/511938069.db2.gz JBLBELPVHOLMPM-UHFFFAOYSA-N 1 2 372.425 2.515 20 5 FFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN(C)[C@H](c2nc(C3CC3)no2)C1 ZINC000284997491 511962480 /nfs/dbraw/zinc/96/24/80/511962480.db2.gz TWNZYTTWMHTWRQ-WBMJQRKESA-N 1 2 357.414 2.905 20 5 FFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN(C)[C@H](c2nc(C3CC3)no2)C1 ZINC000284997491 511962486 /nfs/dbraw/zinc/96/24/86/511962486.db2.gz TWNZYTTWMHTWRQ-WBMJQRKESA-N 1 2 357.414 2.905 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000373760736 512492344 /nfs/dbraw/zinc/49/23/44/512492344.db2.gz MAZABDGXZMHTLW-AWEZNQCLSA-N 1 2 357.414 2.979 20 5 FFBDLO CCS[C@@H](C)c1noc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000369684594 512553877 /nfs/dbraw/zinc/55/38/77/512553877.db2.gz VZONVQFWVSTTOF-NSHDSACASA-N 1 2 366.447 2.826 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000373934607 512580020 /nfs/dbraw/zinc/58/00/20/512580020.db2.gz BHQJDDASLODJEX-KGLIPLIRSA-N 1 2 355.398 2.591 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000373934607 512580026 /nfs/dbraw/zinc/58/00/26/512580026.db2.gz BHQJDDASLODJEX-KGLIPLIRSA-N 1 2 355.398 2.591 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000374357198 512787766 /nfs/dbraw/zinc/78/77/66/512787766.db2.gz IUUCIHBTURSONH-HNNXBMFYSA-N 1 2 369.425 2.558 20 5 FFBDLO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000376509685 512849885 /nfs/dbraw/zinc/84/98/85/512849885.db2.gz ORISCCKSMYTAQA-CQSZACIVSA-N 1 2 350.371 2.742 20 5 FFBDLO O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000376535913 512861607 /nfs/dbraw/zinc/86/16/07/512861607.db2.gz QXSIXGLYUNTHAU-JKSUJKDBSA-N 1 2 367.833 2.621 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3C[C@@H](O)C[C@@H]3c3ccccc3)n2)c1 ZINC000411934091 512879293 /nfs/dbraw/zinc/87/92/93/512879293.db2.gz HDSHCFBWNCHEID-DLBZAZTESA-N 1 2 366.377 2.953 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3C[C@@H](O)C[C@@H]3c3ccccc3)n2)c1 ZINC000411934091 512879299 /nfs/dbraw/zinc/87/92/99/512879299.db2.gz HDSHCFBWNCHEID-DLBZAZTESA-N 1 2 366.377 2.953 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000368735837 513080905 /nfs/dbraw/zinc/08/09/05/513080905.db2.gz IQPJRUXJDNDNSR-UHFFFAOYSA-N 1 2 368.353 2.506 20 5 FFBDLO CC[C@H](C)n1[nH]c(=NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)cc1C ZINC000450415737 513184542 /nfs/dbraw/zinc/18/45/42/513184542.db2.gz DNGIJPZRPNYTRV-LBPRGKRZSA-N 1 2 368.397 2.931 20 5 FFBDLO CC(C)c1ncc(C[N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000440460750 513325696 /nfs/dbraw/zinc/32/56/96/513325696.db2.gz LGXXPKAXXCBMCA-UHFFFAOYSA-N 1 2 357.414 2.603 20 5 FFBDLO CC(C)c1ncc(C[N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000440460750 513325700 /nfs/dbraw/zinc/32/57/00/513325700.db2.gz LGXXPKAXXCBMCA-UHFFFAOYSA-N 1 2 357.414 2.603 20 5 FFBDLO CC(C)c1ncc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000440480300 513329202 /nfs/dbraw/zinc/32/92/02/513329202.db2.gz VKPNIWUHIPVAOP-CYBMUJFWSA-N 1 2 357.414 2.967 20 5 FFBDLO CC(C)c1ncc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000440480300 513329211 /nfs/dbraw/zinc/32/92/11/513329211.db2.gz VKPNIWUHIPVAOP-CYBMUJFWSA-N 1 2 357.414 2.967 20 5 FFBDLO Cc1ccc(Cl)c(N(Cc2[nH]cc[nH+]2)C(=O)c2cc([N+](=O)[O-])nn2C)c1 ZINC000440898017 513432168 /nfs/dbraw/zinc/43/21/68/513432168.db2.gz CLLICYAMWLYRLO-UHFFFAOYSA-N 1 2 374.788 2.860 20 5 FFBDLO CCC[N@H+](CC(=O)N(C)C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425400210 513545454 /nfs/dbraw/zinc/54/54/54/513545454.db2.gz CNEMBVJHONOIHR-UHFFFAOYSA-N 1 2 358.236 2.658 20 5 FFBDLO CCC[N@@H+](CC(=O)N(C)C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425400210 513545459 /nfs/dbraw/zinc/54/54/59/513545459.db2.gz CNEMBVJHONOIHR-UHFFFAOYSA-N 1 2 358.236 2.658 20 5 FFBDLO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3ccc([N+](=O)[O-])cc3O)cccc21 ZINC000447720347 513551821 /nfs/dbraw/zinc/55/18/21/513551821.db2.gz BJWAXTCWQUQPTF-OAHLLOKOSA-N 1 2 357.366 2.938 20 5 FFBDLO CCOCCO[C@H]1CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425420489 513555186 /nfs/dbraw/zinc/55/51/86/513555186.db2.gz MKZSJZJFZMJKEF-AWEZNQCLSA-N 1 2 373.247 2.985 20 5 FFBDLO CCOCCO[C@H]1CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425420489 513555191 /nfs/dbraw/zinc/55/51/91/513555191.db2.gz MKZSJZJFZMJKEF-AWEZNQCLSA-N 1 2 373.247 2.985 20 5 FFBDLO Cc1c(NC(=O)NCc2[nH]cc[nH+]2)cc(Br)cc1[N+](=O)[O-] ZINC000435327841 513557725 /nfs/dbraw/zinc/55/77/25/513557725.db2.gz IYQVIASFDWSLBE-UHFFFAOYSA-N 1 2 354.164 2.711 20 5 FFBDLO CC(C)CO[C@@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447815299 513579435 /nfs/dbraw/zinc/57/94/35/513579435.db2.gz CVFQAYFPGXNIPS-QGZVFWFLSA-N 1 2 363.458 2.678 20 5 FFBDLO CC(C)Oc1cc(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000413779919 513812381 /nfs/dbraw/zinc/81/23/81/513812381.db2.gz FXKOMDFWLMOBSO-INIZCTEOSA-N 1 2 370.409 2.564 20 5 FFBDLO O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CC[NH+](C2CC2)CC1 ZINC000436307972 513821758 /nfs/dbraw/zinc/82/17/58/513821758.db2.gz AFYQEVKOFSBMFK-UHFFFAOYSA-N 1 2 365.408 2.741 20 5 FFBDLO CC(=O)[C@H](NC(=O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C(C)C ZINC000451550090 513826085 /nfs/dbraw/zinc/82/60/85/513826085.db2.gz QVKIYOYUZXCBDL-VQIMIIECSA-N 1 2 361.442 2.504 20 5 FFBDLO CC(=O)[C@H](NC(=O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C(C)C ZINC000451550090 513826090 /nfs/dbraw/zinc/82/60/90/513826090.db2.gz QVKIYOYUZXCBDL-VQIMIIECSA-N 1 2 361.442 2.504 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCSC[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000451647193 513887042 /nfs/dbraw/zinc/88/70/42/513887042.db2.gz HZJMRORXRJPSBE-MRXNPFEDSA-N 1 2 365.455 2.759 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+]2CCSC[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000451647193 513887051 /nfs/dbraw/zinc/88/70/51/513887051.db2.gz HZJMRORXRJPSBE-MRXNPFEDSA-N 1 2 365.455 2.759 20 5 FFBDLO Cc1cc(C[NH+](C)C)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000414464410 514133476 /nfs/dbraw/zinc/13/34/76/514133476.db2.gz UJVDURHRUKTAIB-UHFFFAOYSA-N 1 2 367.402 2.905 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CC[C@](O)(C(F)F)C3)cs2)c1 ZINC000449465574 514219962 /nfs/dbraw/zinc/21/99/62/514219962.db2.gz DUXWQPZWASNCCE-OAHLLOKOSA-N 1 2 355.366 2.920 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@](O)(C(F)F)C3)cs2)c1 ZINC000449465574 514219966 /nfs/dbraw/zinc/21/99/66/514219966.db2.gz DUXWQPZWASNCCE-OAHLLOKOSA-N 1 2 355.366 2.920 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(NCc3ccc(-n4cc[nH+]c4)c(F)c3)nc2c1 ZINC000427981735 514366505 /nfs/dbraw/zinc/36/65/05/514366505.db2.gz DKDSQFUZTZIIAN-UHFFFAOYSA-N 1 2 352.329 2.830 20 5 FFBDLO CCN1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000433110372 514386245 /nfs/dbraw/zinc/38/62/45/514386245.db2.gz OZFWWKXRUURDAY-QGZVFWFLSA-N 1 2 371.441 2.960 20 5 FFBDLO CC(C)C[C@@H](CCO)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450015379 514466502 /nfs/dbraw/zinc/46/65/02/514466502.db2.gz GROVRWFFAJVCFW-CQSZACIVSA-N 1 2 360.414 2.555 20 5 FFBDLO O=C(NC[C@@H]1CCOC2(CCC2)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000452733850 514477961 /nfs/dbraw/zinc/47/79/61/514477961.db2.gz PUVPZFLAJXULGW-CQSZACIVSA-N 1 2 370.409 2.860 20 5 FFBDLO O=C(NC[C@H]1CCOC2(CCC2)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000452733849 514478194 /nfs/dbraw/zinc/47/81/94/514478194.db2.gz PUVPZFLAJXULGW-AWEZNQCLSA-N 1 2 370.409 2.860 20 5 FFBDLO CCc1noc(CC)c1CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450080324 514490008 /nfs/dbraw/zinc/49/00/08/514490008.db2.gz BTUXBPROYSMQOX-UHFFFAOYSA-N 1 2 369.381 2.823 20 5 FFBDLO CCN1CCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000433465524 514499541 /nfs/dbraw/zinc/49/95/41/514499541.db2.gz HNCSEZQDYFRUHZ-OAHLLOKOSA-N 1 2 371.441 2.762 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000439323429 514531312 /nfs/dbraw/zinc/53/13/12/514531312.db2.gz HHEZLJVFSLWKAN-UHFFFAOYSA-N 1 2 371.397 2.661 20 5 FFBDLO CC(C)(C)CN1CCC[C@H]([NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)C1=O ZINC000461389922 514588189 /nfs/dbraw/zinc/58/81/89/514588189.db2.gz VBBXYMDWJHSTMP-SFHVURJKSA-N 1 2 374.485 2.754 20 5 FFBDLO O=C([C@H]1CC[N@@H+]1Cc1ccccc1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461407093 514601150 /nfs/dbraw/zinc/60/11/50/514601150.db2.gz MFCLQNNFGHXVBL-GOSISDBHSA-N 1 2 367.405 2.590 20 5 FFBDLO O=C([C@H]1CC[N@H+]1Cc1ccccc1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461407093 514601160 /nfs/dbraw/zinc/60/11/60/514601160.db2.gz MFCLQNNFGHXVBL-GOSISDBHSA-N 1 2 367.405 2.590 20 5 FFBDLO Cn1c(C(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)ccc1[N+](=O)[O-] ZINC000497920785 514682218 /nfs/dbraw/zinc/68/22/18/514682218.db2.gz IAVJUOPNSMLABB-UHFFFAOYSA-N 1 2 362.817 2.545 20 5 FFBDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000470944996 514683523 /nfs/dbraw/zinc/68/35/23/514683523.db2.gz KINUYIXNDRELLF-HONMWMINSA-N 1 2 357.332 2.973 20 5 FFBDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000470944996 514683532 /nfs/dbraw/zinc/68/35/32/514683532.db2.gz KINUYIXNDRELLF-HONMWMINSA-N 1 2 357.332 2.973 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000470956361 514691493 /nfs/dbraw/zinc/69/14/93/514691493.db2.gz SAFVMOAOOVBUKF-KOLCDFICSA-N 1 2 361.320 2.815 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000470956361 514691499 /nfs/dbraw/zinc/69/14/99/514691499.db2.gz SAFVMOAOOVBUKF-KOLCDFICSA-N 1 2 361.320 2.815 20 5 FFBDLO CCCn1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c(OCC)c3)CC2)cn1 ZINC000475507678 514694413 /nfs/dbraw/zinc/69/44/13/514694413.db2.gz LBBZWCZZNVPMBG-UHFFFAOYSA-N 1 2 373.457 2.922 20 5 FFBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000453578046 514698277 /nfs/dbraw/zinc/69/82/77/514698277.db2.gz PETCBEHJWPPHNN-UHFFFAOYSA-N 1 2 364.352 2.913 20 5 FFBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000475719876 514775600 /nfs/dbraw/zinc/77/56/00/514775600.db2.gz AFBLCCSOZKTCIL-LLVKDONJSA-N 1 2 374.784 2.980 20 5 FFBDLO COC(=O)COc1ccc(C[N@@H+]2CCc3ccsc3C2)cc1[N+](=O)[O-] ZINC000475723934 514777625 /nfs/dbraw/zinc/77/76/25/514777625.db2.gz HFTOXZPZPYBUNU-UHFFFAOYSA-N 1 2 362.407 2.766 20 5 FFBDLO COC(=O)COc1ccc(C[N@H+]2CCc3ccsc3C2)cc1[N+](=O)[O-] ZINC000475723934 514777635 /nfs/dbraw/zinc/77/76/35/514777635.db2.gz HFTOXZPZPYBUNU-UHFFFAOYSA-N 1 2 362.407 2.766 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000475752305 514793869 /nfs/dbraw/zinc/79/38/69/514793869.db2.gz ZXCWWYZTCGJSDG-UHFFFAOYSA-N 1 2 369.347 2.669 20 5 FFBDLO COc1cc[nH+]cc1CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000458807034 515110486 /nfs/dbraw/zinc/11/04/86/515110486.db2.gz GJWKUZHKWRWCEX-UHFFFAOYSA-N 1 2 356.382 2.873 20 5 FFBDLO CCc1ccc([C@H]([NH2+][C@H](C)C(=O)NCCF)c2ccc([N+](=O)[O-])cc2)o1 ZINC000503906508 515165134 /nfs/dbraw/zinc/16/51/34/515165134.db2.gz ZUZDSHCSSYWIDO-SJKOYZFVSA-N 1 2 363.389 2.903 20 5 FFBDLO C[C@@H]1C[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000456430685 515180058 /nfs/dbraw/zinc/18/00/58/515180058.db2.gz SGTQENFPSPTNSA-KCJUWKMLSA-N 1 2 365.187 2.990 20 5 FFBDLO Cc1cn2cc(NC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)ccc2[nH+]1 ZINC000485869629 515228026 /nfs/dbraw/zinc/22/80/26/515228026.db2.gz NPDBDYWDXMSZMF-UHFFFAOYSA-N 1 2 362.349 2.989 20 5 FFBDLO C[C@H](NC(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000454246167 515335824 /nfs/dbraw/zinc/33/58/24/515335824.db2.gz CCADLQOCWMXJMO-ZDUSSCGKSA-N 1 2 357.414 2.731 20 5 FFBDLO CCOc1cccc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)n1 ZINC000491195514 515395106 /nfs/dbraw/zinc/39/51/06/515395106.db2.gz WJFPPRQMNGQDHR-UHFFFAOYSA-N 1 2 360.389 2.850 20 5 FFBDLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000477484165 515473872 /nfs/dbraw/zinc/47/38/72/515473872.db2.gz XPCBRTKMCVNJFS-UHFFFAOYSA-N 1 2 365.393 2.623 20 5 FFBDLO COC(=O)[C@H]1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1C ZINC000468747343 515502278 /nfs/dbraw/zinc/50/22/78/515502278.db2.gz DIMCWUKCPGEWAT-DOMZBBRYSA-N 1 2 356.382 2.748 20 5 FFBDLO C[NH+](C)[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000505445369 515536703 /nfs/dbraw/zinc/53/67/03/515536703.db2.gz JHCWSSOWWICXLF-MRXNPFEDSA-N 1 2 363.801 2.987 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000468932526 515588342 /nfs/dbraw/zinc/58/83/42/515588342.db2.gz LUDGXKJFHONEAT-UHFFFAOYSA-N 1 2 370.452 2.748 20 5 FFBDLO CC[C@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000493365549 515625013 /nfs/dbraw/zinc/62/50/13/515625013.db2.gz QUNSEXUJHGFBHA-SUMWQHHRSA-N 1 2 353.850 2.791 20 5 FFBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)CCC2 ZINC000486907028 515680881 /nfs/dbraw/zinc/68/08/81/515680881.db2.gz BPFVNYQTNYKFOA-LLVKDONJSA-N 1 2 364.352 2.614 20 5 FFBDLO C[C@H]1C[C@@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000454782893 515739984 /nfs/dbraw/zinc/73/99/84/515739984.db2.gz UDCBBORTFFMGOO-GXFFZTMASA-N 1 2 363.805 2.992 20 5 FFBDLO COc1cc(C[N@H+](CCO)Cc2cccc(F)c2)c([N+](=O)[O-])cc1F ZINC000494225777 515775042 /nfs/dbraw/zinc/77/50/42/515775042.db2.gz CNIZRDRNSBJWND-UHFFFAOYSA-N 1 2 352.337 2.876 20 5 FFBDLO COc1cc(C[N@@H+](CCO)Cc2cccc(F)c2)c([N+](=O)[O-])cc1F ZINC000494225777 515775048 /nfs/dbraw/zinc/77/50/48/515775048.db2.gz CNIZRDRNSBJWND-UHFFFAOYSA-N 1 2 352.337 2.876 20 5 FFBDLO C[NH+](C)Cc1csc(NC(=O)CSc2ccccc2[N+](=O)[O-])n1 ZINC000457296827 515788760 /nfs/dbraw/zinc/78/87/60/515788760.db2.gz SZVCCKKMIKQYPR-UHFFFAOYSA-N 1 2 352.441 2.844 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000511119759 515789433 /nfs/dbraw/zinc/78/94/33/515789433.db2.gz JXVFQYWPFLBPNL-GOSISDBHSA-N 1 2 369.421 2.534 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000511119759 515789443 /nfs/dbraw/zinc/78/94/43/515789443.db2.gz JXVFQYWPFLBPNL-GOSISDBHSA-N 1 2 369.421 2.534 20 5 FFBDLO COc1cc(C[NH+]2CCN(c3ccc(F)cn3)CC2)c([N+](=O)[O-])cc1F ZINC000464495090 515845790 /nfs/dbraw/zinc/84/57/90/515845790.db2.gz QQOUNEPMODMGLG-UHFFFAOYSA-N 1 2 364.352 2.599 20 5 FFBDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454981676 515873285 /nfs/dbraw/zinc/87/32/85/515873285.db2.gz XVTMEPSZMQTQNK-HUUCEWRRSA-N 1 2 369.425 2.764 20 5 FFBDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454981676 515873292 /nfs/dbraw/zinc/87/32/92/515873292.db2.gz XVTMEPSZMQTQNK-HUUCEWRRSA-N 1 2 369.425 2.764 20 5 FFBDLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506471347 515890672 /nfs/dbraw/zinc/89/06/72/515890672.db2.gz PLSGUXSXEVNJLW-AWEZNQCLSA-N 1 2 355.394 2.647 20 5 FFBDLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506471347 515890677 /nfs/dbraw/zinc/89/06/77/515890677.db2.gz PLSGUXSXEVNJLW-AWEZNQCLSA-N 1 2 355.394 2.647 20 5 FFBDLO COc1c(C(=O)N2CC[NH+](Cc3cccs3)CC2)cccc1[N+](=O)[O-] ZINC000474291705 515975289 /nfs/dbraw/zinc/97/52/89/515975289.db2.gz HFKRREKEZHMAEX-UHFFFAOYSA-N 1 2 361.423 2.623 20 5 FFBDLO CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc3[nH+]ccn32)cc1OC ZINC000460343169 516121421 /nfs/dbraw/zinc/12/14/21/516121421.db2.gz LMGLGBJHZVVLLE-UHFFFAOYSA-N 1 2 356.338 2.902 20 5 FFBDLO O=C(CC[S@@](=O)Cc1cn2ccccc2[nH+]1)Nc1ccccc1[N+](=O)[O-] ZINC000507683926 516283013 /nfs/dbraw/zinc/28/30/13/516283013.db2.gz OQQSRAVINTZYPQ-AREMUKBSSA-N 1 2 372.406 2.520 20 5 FFBDLO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000512702396 516330393 /nfs/dbraw/zinc/33/03/93/516330393.db2.gz FKNGVYHPDQXDBD-BBRMVZONSA-N 1 2 355.394 2.866 20 5 FFBDLO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000512702396 516330395 /nfs/dbraw/zinc/33/03/95/516330395.db2.gz FKNGVYHPDQXDBD-BBRMVZONSA-N 1 2 355.394 2.866 20 5 FFBDLO CC(C)C[C@H](C)N(C)C(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000531381679 516440583 /nfs/dbraw/zinc/44/05/83/516440583.db2.gz PBYCRRCXFCLOHQ-INIZCTEOSA-N 1 2 362.474 2.610 20 5 FFBDLO COc1ccc(NC(=O)NCCc2cn3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000543885491 516479990 /nfs/dbraw/zinc/47/99/90/516479990.db2.gz UAXREBINMPDQDJ-UHFFFAOYSA-N 1 2 355.354 2.615 20 5 FFBDLO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000544024443 516547072 /nfs/dbraw/zinc/54/70/72/516547072.db2.gz DWDFPRLSOZQSJT-UHFFFAOYSA-N 1 2 372.425 2.889 20 5 FFBDLO CNc1ccc(C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)cc1[N+](=O)[O-] ZINC000544054669 516561360 /nfs/dbraw/zinc/56/13/60/516561360.db2.gz UCLZPWLQDFOXGR-UHFFFAOYSA-N 1 2 351.366 2.957 20 5 FFBDLO C[C@H](c1cccc(NC(=O)c2ccc([N+](=O)[O-])cn2)c1)[NH+]1CCOCC1 ZINC000531628729 516562408 /nfs/dbraw/zinc/56/24/08/516562408.db2.gz PVYUNEGZYHCATA-CYBMUJFWSA-N 1 2 356.382 2.635 20 5 FFBDLO C[NH+](C)[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000523741903 516565083 /nfs/dbraw/zinc/56/50/83/516565083.db2.gz FHGXHRYQHKGNDV-LBPRGKRZSA-N 1 2 355.366 2.967 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000547957585 516658424 /nfs/dbraw/zinc/65/84/24/516658424.db2.gz HQJVNXDQFZJGQI-UHFFFAOYSA-N 1 2 369.421 2.997 20 5 FFBDLO O=C(Nc1ccc(-c2c[nH]c[nH+]2)cc1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000540905884 516763436 /nfs/dbraw/zinc/76/34/36/516763436.db2.gz BEZLUAXCCRSZLX-UHFFFAOYSA-N 1 2 352.306 2.966 20 5 FFBDLO O=C1[C@H]([N@@H+]2CCO[C@H](C3CCCCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000544565694 516817271 /nfs/dbraw/zinc/81/72/71/516817271.db2.gz YQMWWYYMJLVRFD-MOPGFXCFSA-N 1 2 373.453 2.981 20 5 FFBDLO O=C1[C@H]([N@H+]2CCO[C@H](C3CCCCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000544565694 516817282 /nfs/dbraw/zinc/81/72/82/516817282.db2.gz YQMWWYYMJLVRFD-MOPGFXCFSA-N 1 2 373.453 2.981 20 5 FFBDLO Cc1[nH]c2ccc(NC(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)cc2[nH+]1 ZINC000532186546 516848285 /nfs/dbraw/zinc/84/82/85/516848285.db2.gz ZXMGNRNFTQBYTJ-UHFFFAOYSA-N 1 2 354.322 2.803 20 5 FFBDLO Cc1[nH]c2cc(NC(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)ccc2[nH+]1 ZINC000532186546 516848291 /nfs/dbraw/zinc/84/82/91/516848291.db2.gz ZXMGNRNFTQBYTJ-UHFFFAOYSA-N 1 2 354.322 2.803 20 5 FFBDLO Cc1ccccc1[C@H](CO)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000541054234 516849021 /nfs/dbraw/zinc/84/90/21/516849021.db2.gz KYXPQCOKWLEAKX-INIZCTEOSA-N 1 2 354.366 2.776 20 5 FFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000558741421 516923309 /nfs/dbraw/zinc/92/33/09/516923309.db2.gz DPEAUUOUIRYDAH-QGZVFWFLSA-N 1 2 365.792 2.981 20 5 FFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000558741421 516923319 /nfs/dbraw/zinc/92/33/19/516923319.db2.gz DPEAUUOUIRYDAH-QGZVFWFLSA-N 1 2 365.792 2.981 20 5 FFBDLO CCNc1ccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000514446003 516930754 /nfs/dbraw/zinc/93/07/54/516930754.db2.gz PMCPCHYSANXKEG-UHFFFAOYSA-N 1 2 369.425 2.820 20 5 FFBDLO COc1ccc(-c2nc(Cc3cn4ccccc4[nH+]3)no2)cc1[N+](=O)[O-] ZINC000545011419 517019787 /nfs/dbraw/zinc/01/97/87/517019787.db2.gz SJHGIZQPBDLDKS-UHFFFAOYSA-N 1 2 351.322 2.892 20 5 FFBDLO Cc1[nH+]c2cc(NC(=O)CN(C)c3ccccc3[N+](=O)[O-])ccc2n1C ZINC000525724589 517137783 /nfs/dbraw/zinc/13/77/83/517137783.db2.gz QPLNEJHFDBMFOT-UHFFFAOYSA-N 1 2 353.382 2.865 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]Cc1ccc(CO)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000552248682 517163524 /nfs/dbraw/zinc/16/35/24/517163524.db2.gz PFWLSXYATYNRCI-GOSISDBHSA-N 1 2 370.384 2.839 20 5 FFBDLO COCC1(C)CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000515204572 517251984 /nfs/dbraw/zinc/25/19/84/517251984.db2.gz VALSMDKENYCTPG-UHFFFAOYSA-N 1 2 363.458 2.680 20 5 FFBDLO CC[N@@H+]1CC[C@H](Nc2c([N+](=O)[O-])ncn2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542037829 517351192 /nfs/dbraw/zinc/35/11/92/517351192.db2.gz XIDLHWQBCALEPU-GXTWGEPZSA-N 1 2 369.347 2.993 20 5 FFBDLO CC[N@H+]1CC[C@H](Nc2c([N+](=O)[O-])ncn2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542037829 517351198 /nfs/dbraw/zinc/35/11/98/517351198.db2.gz XIDLHWQBCALEPU-GXTWGEPZSA-N 1 2 369.347 2.993 20 5 FFBDLO COc1cc(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c([N+](=O)[O-])cc1F ZINC000545930845 517443091 /nfs/dbraw/zinc/44/30/91/517443091.db2.gz BOKAVXHELBUKBL-AWEZNQCLSA-N 1 2 366.311 2.878 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](N[C@@H](CCO)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000562854679 517459135 /nfs/dbraw/zinc/45/91/35/517459135.db2.gz HQNORUBCUPDXTA-RDJZCZTQSA-N 1 2 356.382 2.724 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@H](CCO)c3ccccc3)o2)cc1 ZINC000538128546 517475325 /nfs/dbraw/zinc/47/53/25/517475325.db2.gz LOHKUHUVQGAQLV-MRXNPFEDSA-N 1 2 354.366 2.858 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000515818929 517486306 /nfs/dbraw/zinc/48/63/06/517486306.db2.gz PHUJQMUZJVBOCD-MRXNPFEDSA-N 1 2 356.382 2.774 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000515818929 517486313 /nfs/dbraw/zinc/48/63/13/517486313.db2.gz PHUJQMUZJVBOCD-MRXNPFEDSA-N 1 2 356.382 2.774 20 5 FFBDLO CC(C)[C@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1[nH]cc[nH+]1 ZINC000549356633 517525388 /nfs/dbraw/zinc/52/53/88/517525388.db2.gz SKEJMALSXYHHFX-HNNXBMFYSA-N 1 2 354.370 2.631 20 5 FFBDLO O=C(Nc1ccccc1O)C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000549508868 517593772 /nfs/dbraw/zinc/59/37/72/517593772.db2.gz OTNWNJBHMODZSP-UHFFFAOYSA-N 1 2 371.393 2.857 20 5 FFBDLO CC(C)(C)C1=CC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000533926153 517673275 /nfs/dbraw/zinc/67/32/75/517673275.db2.gz KGYLXPUVWWBFDR-UHFFFAOYSA-N 1 2 361.398 2.940 20 5 FFBDLO CC(C)(C)C1=CC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000533926153 517673286 /nfs/dbraw/zinc/67/32/86/517673286.db2.gz KGYLXPUVWWBFDR-UHFFFAOYSA-N 1 2 361.398 2.940 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]CCC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000560530187 517876807 /nfs/dbraw/zinc/87/68/07/517876807.db2.gz OPOWOJQDGHLYIP-INIZCTEOSA-N 1 2 360.414 2.739 20 5 FFBDLO Cn1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)cn1 ZINC000530616591 517883123 /nfs/dbraw/zinc/88/31/23/517883123.db2.gz ACPBHVXBMDGKQU-UHFFFAOYSA-N 1 2 369.347 2.669 20 5 FFBDLO Cc1cc(NCC2([C@@H](O)C(C)C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000539395606 518026778 /nfs/dbraw/zinc/02/67/78/518026778.db2.gz TZULXSXOJPBIQB-KRWDZBQOSA-N 1 2 356.426 2.991 20 5 FFBDLO CC(C)(CS(C)(=O)=O)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000547285734 518058227 /nfs/dbraw/zinc/05/82/27/518058227.db2.gz BWLUNNCYYHJYTQ-UHFFFAOYSA-N 1 2 369.468 2.631 20 5 FFBDLO CCc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000563707680 518081153 /nfs/dbraw/zinc/08/11/53/518081153.db2.gz MXWOPCYCXDMFSS-CQSZACIVSA-N 1 2 364.427 2.796 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000564132034 518317767 /nfs/dbraw/zinc/31/77/67/518317767.db2.gz ZMKUHRGIMXWUFE-OXJNMPFZSA-N 1 2 368.437 2.877 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000564132034 518317773 /nfs/dbraw/zinc/31/77/73/518317773.db2.gz ZMKUHRGIMXWUFE-OXJNMPFZSA-N 1 2 368.437 2.877 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1-c1noc([C@@H](c2ccc(Cl)cc2)[NH+](C)C)n1 ZINC000567249585 518430969 /nfs/dbraw/zinc/43/09/69/518430969.db2.gz LPEYJCCQZOYCOE-LLVKDONJSA-N 1 2 362.777 2.683 20 5 FFBDLO O=C(C[N@H+]1CCCC[C@H]1C1(O)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000572961800 518440438 /nfs/dbraw/zinc/44/04/38/518440438.db2.gz GWKJREMIUNDSEH-AWEZNQCLSA-N 1 2 353.806 2.566 20 5 FFBDLO O=C(C[N@@H+]1CCCC[C@H]1C1(O)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000572961800 518440442 /nfs/dbraw/zinc/44/04/42/518440442.db2.gz GWKJREMIUNDSEH-AWEZNQCLSA-N 1 2 353.806 2.566 20 5 FFBDLO CC(C)Oc1nc(NCCc2[nH]c3ccc(F)cc3[nH+]2)ccc1[N+](=O)[O-] ZINC000582013323 518545848 /nfs/dbraw/zinc/54/58/48/518545848.db2.gz IKKVRDVUBIRVOL-UHFFFAOYSA-N 1 2 359.361 2.869 20 5 FFBDLO Nc1cccc([N+](=O)[O-])c1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000567744679 518689213 /nfs/dbraw/zinc/68/92/13/518689213.db2.gz PHQGPAFYDIOOGR-UHFFFAOYSA-N 1 2 371.784 2.946 20 5 FFBDLO CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(=O)OC(C)(C)C ZINC000579673760 518793452 /nfs/dbraw/zinc/79/34/52/518793452.db2.gz SQWYEDZMKQXEAD-CYBMUJFWSA-N 1 2 374.397 2.631 20 5 FFBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000582637202 518849803 /nfs/dbraw/zinc/84/98/03/518849803.db2.gz UXDFIBCWDFYCLI-UHFFFAOYSA-N 1 2 369.425 2.902 20 5 FFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C(=O)c2ccccn2)CC1 ZINC000579885631 518900102 /nfs/dbraw/zinc/90/01/02/518900102.db2.gz CCUYOXBMOOSUMO-SSZFMOIBSA-N 1 2 366.421 2.851 20 5 FFBDLO C[NH+](C)[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000582896330 518974983 /nfs/dbraw/zinc/97/49/83/518974983.db2.gz SDJOJPWTZJVSHJ-INIZCTEOSA-N 1 2 363.801 2.987 20 5 FFBDLO CC(C)(NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000574092203 518984075 /nfs/dbraw/zinc/98/40/75/518984075.db2.gz BNDNEZRVILCRMD-UHFFFAOYSA-N 1 2 352.778 2.792 20 5 FFBDLO Cn1c2ccc(NC(=O)c3ccnc(N)c3[N+](=O)[O-])cc2[nH+]c1C(C)(C)C ZINC000565783331 519132289 /nfs/dbraw/zinc/13/22/89/519132289.db2.gz JMVLLRVBUOGEQW-UHFFFAOYSA-N 1 2 368.397 2.839 20 5 FFBDLO Cc1cn2c([nH+]1)CN(C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)CC2 ZINC000590324976 519200658 /nfs/dbraw/zinc/20/06/58/519200658.db2.gz UDWSVZQHFBDCKG-UHFFFAOYSA-N 1 2 354.288 2.775 20 5 FFBDLO CC[C@@H]1C[N@H+](C)CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000569142982 519398856 /nfs/dbraw/zinc/39/88/56/519398856.db2.gz NYQXQYSOJLPBAI-MRXNPFEDSA-N 1 2 363.461 2.707 20 5 FFBDLO CC[C@@H]1C[N@@H+](C)CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000569142982 519398863 /nfs/dbraw/zinc/39/88/63/519398863.db2.gz NYQXQYSOJLPBAI-MRXNPFEDSA-N 1 2 363.461 2.707 20 5 FFBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000583965067 519520340 /nfs/dbraw/zinc/52/03/40/519520340.db2.gz POWVJADQSOPTRA-MRXNPFEDSA-N 1 2 372.429 2.791 20 5 FFBDLO O=C1[C@H]([N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000572411958 519599710 /nfs/dbraw/zinc/59/97/10/519599710.db2.gz MLBCRDWZXNJEHT-KZNAEPCWSA-N 1 2 371.437 2.734 20 5 FFBDLO O=C1[C@H]([N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000572411958 519599715 /nfs/dbraw/zinc/59/97/15/519599715.db2.gz MLBCRDWZXNJEHT-KZNAEPCWSA-N 1 2 371.437 2.734 20 5 FFBDLO C[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1nnnn1-c1ccccc1 ZINC000594496248 520004131 /nfs/dbraw/zinc/00/41/31/520004131.db2.gz XZZUKGSKSJWOHB-WBMJQRKESA-N 1 2 350.382 2.909 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3C[C@@H](CO)[C@H](C(F)(F)F)C3)co2)cc1 ZINC000602987797 520006895 /nfs/dbraw/zinc/00/68/95/520006895.db2.gz RJPNWATUMDLCIP-SMDDNHRTSA-N 1 2 371.315 2.852 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3C[C@@H](CO)[C@H](C(F)(F)F)C3)co2)cc1 ZINC000602987797 520006903 /nfs/dbraw/zinc/00/69/03/520006903.db2.gz RJPNWATUMDLCIP-SMDDNHRTSA-N 1 2 371.315 2.852 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccnn2-c2cc[nH+]cc2)c1 ZINC000612620328 520053969 /nfs/dbraw/zinc/05/39/69/520053969.db2.gz FOWVQLRAOVEIGK-UHFFFAOYSA-N 1 2 373.394 2.593 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cscn1 ZINC000594709268 520105681 /nfs/dbraw/zinc/10/56/81/520105681.db2.gz FETOTYGKJUWOIS-NXEZZACHSA-N 1 2 350.400 2.738 20 5 FFBDLO CNC(=O)[C@]1(C(F)(F)F)CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000591995495 520126843 /nfs/dbraw/zinc/12/68/43/520126843.db2.gz XVXQIPDCCRRULO-HNNXBMFYSA-N 1 2 368.315 2.648 20 5 FFBDLO CNC(=O)[C@@]1(C(F)(F)F)CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000591995496 520127141 /nfs/dbraw/zinc/12/71/41/520127141.db2.gz XVXQIPDCCRRULO-OAHLLOKOSA-N 1 2 368.315 2.648 20 5 FFBDLO COc1ccccc1C[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000609075678 520185376 /nfs/dbraw/zinc/18/53/76/520185376.db2.gz TYIJHNFDWFUMAO-UHFFFAOYSA-N 1 2 371.437 2.930 20 5 FFBDLO C[C@@H]1C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC2(CCCC2)O1 ZINC000592192664 520257733 /nfs/dbraw/zinc/25/77/33/520257733.db2.gz JGXCRHUBFCLDTG-PBHICJAKSA-N 1 2 359.426 2.734 20 5 FFBDLO C[C@@H]1C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC2(CCCC2)O1 ZINC000592192664 520257737 /nfs/dbraw/zinc/25/77/37/520257737.db2.gz JGXCRHUBFCLDTG-PBHICJAKSA-N 1 2 359.426 2.734 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000595040420 520267271 /nfs/dbraw/zinc/26/72/71/520267271.db2.gz JPELAZREGCUGNZ-JTQLQIEISA-N 1 2 370.452 2.919 20 5 FFBDLO CC(C)NC(=O)c1ccc(NCc2ccc[nH+]c2N(C)C)c([N+](=O)[O-])c1 ZINC000603855116 520378169 /nfs/dbraw/zinc/37/81/69/520378169.db2.gz FQVLPAKJIOYVDY-UHFFFAOYSA-N 1 2 357.414 2.806 20 5 FFBDLO CCOc1ccccc1C[N@@H+]1CCN(Cc2onc(C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000595473819 520494255 /nfs/dbraw/zinc/49/42/55/520494255.db2.gz YWDJFDPKBFCXHV-CQSZACIVSA-N 1 2 374.441 2.996 20 5 FFBDLO CCOc1ccccc1C[N@H+]1CCN(Cc2onc(C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000595473819 520494262 /nfs/dbraw/zinc/49/42/62/520494262.db2.gz YWDJFDPKBFCXHV-CQSZACIVSA-N 1 2 374.441 2.996 20 5 FFBDLO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])cc1 ZINC000595478384 520497055 /nfs/dbraw/zinc/49/70/55/520497055.db2.gz VLANNZVHTALNJN-JTQLQIEISA-N 1 2 353.400 2.536 20 5 FFBDLO CC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000592719497 520539617 /nfs/dbraw/zinc/53/96/17/520539617.db2.gz ZKGPTUONLVIRSL-ZDUSSCGKSA-N 1 2 374.397 2.631 20 5 FFBDLO CNc1ccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000604431588 520561176 /nfs/dbraw/zinc/56/11/76/520561176.db2.gz HBRFKZZKDNEINF-UHFFFAOYSA-N 1 2 370.409 2.721 20 5 FFBDLO CC1(C)[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1(F)F ZINC000598337195 520563168 /nfs/dbraw/zinc/56/31/68/520563168.db2.gz NLAXIGYOXPJFAZ-CYBMUJFWSA-N 1 2 350.325 2.802 20 5 FFBDLO COc1ccc2c(c1)CCN2C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000604502966 520581164 /nfs/dbraw/zinc/58/11/64/520581164.db2.gz AJLUASNQRPIFOD-UHFFFAOYSA-N 1 2 364.361 2.992 20 5 FFBDLO O=C(CCCn1cc[nH+]c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000610305603 520630184 /nfs/dbraw/zinc/63/01/84/520630184.db2.gz VHQITAXARLCAFK-UHFFFAOYSA-N 1 2 358.398 2.642 20 5 FFBDLO COC(=O)[C@H](c1cccc(OC)c1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000595681160 520644146 /nfs/dbraw/zinc/64/41/46/520644146.db2.gz RGMDEEPCCVXFCO-SFHVURJKSA-N 1 2 374.393 2.828 20 5 FFBDLO COC(=O)[C@H](c1cccc(OC)c1)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000595681160 520644157 /nfs/dbraw/zinc/64/41/57/520644157.db2.gz RGMDEEPCCVXFCO-SFHVURJKSA-N 1 2 374.393 2.828 20 5 FFBDLO COC(=O)[C@@H](c1cccc(OC)c1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000595681158 520644561 /nfs/dbraw/zinc/64/45/61/520644561.db2.gz RGMDEEPCCVXFCO-GOSISDBHSA-N 1 2 374.393 2.828 20 5 FFBDLO COC(=O)[C@@H](c1cccc(OC)c1)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000595681158 520644572 /nfs/dbraw/zinc/64/45/72/520644572.db2.gz RGMDEEPCCVXFCO-GOSISDBHSA-N 1 2 374.393 2.828 20 5 FFBDLO O=[N+]([O-])c1ccc(NCc2ccc(C[NH+]3CCS(=O)CC3)cc2)cc1 ZINC000601178446 520674532 /nfs/dbraw/zinc/67/45/32/520674532.db2.gz QHPHNTJMHLRQIV-UHFFFAOYSA-N 1 2 359.451 2.771 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595821158 520744842 /nfs/dbraw/zinc/74/48/42/520744842.db2.gz AWSPMMOUANDBLU-UHFFFAOYSA-N 1 2 359.426 2.733 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595821158 520744851 /nfs/dbraw/zinc/74/48/51/520744851.db2.gz AWSPMMOUANDBLU-UHFFFAOYSA-N 1 2 359.426 2.733 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(c2ccon2)CC1 ZINC000595828812 520752863 /nfs/dbraw/zinc/75/28/63/520752863.db2.gz MZPNOVMJWZXSOV-LBPRGKRZSA-N 1 2 374.397 2.798 20 5 FFBDLO C[C@H](NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)c1[nH+]ccn1C ZINC000595844240 520760649 /nfs/dbraw/zinc/76/06/49/520760649.db2.gz CHYQJGVFFWVEGW-ZFWWWQNUSA-N 1 2 357.414 2.979 20 5 FFBDLO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)c3cccc(O)c3[N+](=O)[O-])C2)c1 ZINC000601850563 520986577 /nfs/dbraw/zinc/98/65/77/520986577.db2.gz POJOAFDPXBODIV-OAHLLOKOSA-N 1 2 355.394 2.613 20 5 FFBDLO Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)c3cccc(O)c3[N+](=O)[O-])C2)c1 ZINC000601850563 520986582 /nfs/dbraw/zinc/98/65/82/520986582.db2.gz POJOAFDPXBODIV-OAHLLOKOSA-N 1 2 355.394 2.613 20 5 FFBDLO Cc1cc(C[NH+]2CCN(c3ccnc4cc([N+](=O)[O-])ccc43)CC2)on1 ZINC000593454653 521002359 /nfs/dbraw/zinc/00/23/59/521002359.db2.gz JLNDOHCKUFPFOA-UHFFFAOYSA-N 1 2 353.382 2.762 20 5 FFBDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000599130516 521045215 /nfs/dbraw/zinc/04/52/15/521045215.db2.gz YQUUDDVOSRLWNR-QGZVFWFLSA-N 1 2 371.384 2.560 20 5 FFBDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000599130516 521045223 /nfs/dbraw/zinc/04/52/23/521045223.db2.gz YQUUDDVOSRLWNR-QGZVFWFLSA-N 1 2 371.384 2.560 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCO[C@H](C(F)F)CC3)n2)c1 ZINC000601978059 521054143 /nfs/dbraw/zinc/05/41/43/521054143.db2.gz WWINNYVXJSRMKZ-LBPRGKRZSA-N 1 2 354.313 2.501 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCO[C@H](C(F)F)CC3)n2)c1 ZINC000601978059 521054147 /nfs/dbraw/zinc/05/41/47/521054147.db2.gz WWINNYVXJSRMKZ-LBPRGKRZSA-N 1 2 354.313 2.501 20 5 FFBDLO C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000611255501 521060255 /nfs/dbraw/zinc/06/02/55/521060255.db2.gz SIWUQULNMONJNS-UHFFFAOYSA-N 1 2 355.394 2.825 20 5 FFBDLO C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000611255501 521060259 /nfs/dbraw/zinc/06/02/59/521060259.db2.gz SIWUQULNMONJNS-UHFFFAOYSA-N 1 2 355.394 2.825 20 5 FFBDLO Cc1cn2c([nH+]1)C[C@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000599542011 521283301 /nfs/dbraw/zinc/28/33/01/521283301.db2.gz WQBYHRWWPHPARA-MRXNPFEDSA-N 1 2 356.426 2.801 20 5 FFBDLO Cc1cnc(OC2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)nc1 ZINC000594020029 521354632 /nfs/dbraw/zinc/35/46/32/521354632.db2.gz AVBNBNMIOSXAQP-UHFFFAOYSA-N 1 2 368.397 2.613 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc(OC4CC4)c3F)CC2)cn1 ZINC000596980245 521421700 /nfs/dbraw/zinc/42/17/00/521421700.db2.gz XNFWKKJSYHYDEB-UHFFFAOYSA-N 1 2 372.400 2.992 20 5 FFBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccco2)CC1 ZINC000612004616 521430310 /nfs/dbraw/zinc/43/03/10/521430310.db2.gz NPEMHTIHSCEBID-UHFFFAOYSA-N 1 2 361.423 2.624 20 5 FFBDLO COC[C@@H](CC(C)(C)C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000594141079 521430914 /nfs/dbraw/zinc/43/09/14/521430914.db2.gz UOEAOOIIAFZUBP-CQSZACIVSA-N 1 2 360.414 2.962 20 5 FFBDLO COC[C@]1(C(=O)OC)CCC[N@@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000597220047 521582974 /nfs/dbraw/zinc/58/29/74/521582974.db2.gz IINBSIHVIPWJQI-SFHVURJKSA-N 1 2 350.415 2.872 20 5 FFBDLO COC[C@]1(C(=O)OC)CCC[N@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000597220047 521582979 /nfs/dbraw/zinc/58/29/79/521582979.db2.gz IINBSIHVIPWJQI-SFHVURJKSA-N 1 2 350.415 2.872 20 5 FFBDLO COc1cnccc1CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000619570155 521773724 /nfs/dbraw/zinc/77/37/24/521773724.db2.gz OFPXRNGEIGFSTD-UHFFFAOYSA-N 1 2 351.366 2.798 20 5 FFBDLO Cc1cc[nH+]cc1N1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000619589454 521787219 /nfs/dbraw/zinc/78/72/19/521787219.db2.gz SRBLUFWINHLKQQ-UHFFFAOYSA-N 1 2 350.382 2.568 20 5 FFBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898901940 735421250 /nfs/dbraw/zinc/42/12/50/735421250.db2.gz PZRZHMPSWQMETI-LLVKDONJSA-N 1 2 366.805 2.764 20 5 FFBDLO CN(CC[N@H+](C)Cn1cc(Br)c([N+](=O)[O-])n1)c1ccccc1 ZINC000107669172 728517143 /nfs/dbraw/zinc/51/71/43/728517143.db2.gz WLBPVFLKOKWUAU-UHFFFAOYSA-N 1 2 368.235 2.580 20 5 FFBDLO CN(CC[N@@H+](C)Cn1cc(Br)c([N+](=O)[O-])n1)c1ccccc1 ZINC000107669172 728517144 /nfs/dbraw/zinc/51/71/44/728517144.db2.gz WLBPVFLKOKWUAU-UHFFFAOYSA-N 1 2 368.235 2.580 20 5 FFBDLO Cn1cc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c(Br)n1 ZINC000862354936 730691288 /nfs/dbraw/zinc/69/12/88/730691288.db2.gz AVDBLXBMJZNBAN-UHFFFAOYSA-N 1 2 353.220 2.765 20 5 FFBDLO Cn1cc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c(Br)n1 ZINC000862354936 730691290 /nfs/dbraw/zinc/69/12/90/730691290.db2.gz AVDBLXBMJZNBAN-UHFFFAOYSA-N 1 2 353.220 2.765 20 5 FFBDLO CSC1CC[NH+](Cn2cc(C)n(-c3ccccc3[N+](=O)[O-])c2=O)CC1 ZINC000872628197 731802835 /nfs/dbraw/zinc/80/28/35/731802835.db2.gz PPVLFKNHOZIDRS-UHFFFAOYSA-N 1 2 362.455 2.641 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3CCO[C@@H](C(F)F)CC3)c2)c1 ZINC000872681425 731813313 /nfs/dbraw/zinc/81/33/13/731813313.db2.gz RDRNCSABKFSNDB-OAHLLOKOSA-N 1 2 352.341 2.772 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2cnn(C[N@H+]3CCO[C@@H](C(F)F)CC3)c2)c1 ZINC000872681425 731813318 /nfs/dbraw/zinc/81/33/18/731813318.db2.gz RDRNCSABKFSNDB-OAHLLOKOSA-N 1 2 352.341 2.772 20 5 FFBDLO COC[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000879664485 732746885 /nfs/dbraw/zinc/74/68/85/732746885.db2.gz YRHDEJPSQVCSQD-CYBMUJFWSA-N 1 2 369.219 2.568 20 5 FFBDLO C[N@H+](Cc1cccnc1[N+](=O)[O-])[C@H](CO)c1cccc(Br)c1 ZINC000886100491 733748921 /nfs/dbraw/zinc/74/89/21/733748921.db2.gz OVXPLTCKXQFHQC-CQSZACIVSA-N 1 2 366.215 2.918 20 5 FFBDLO C[N@@H+](Cc1cccnc1[N+](=O)[O-])[C@H](CO)c1cccc(Br)c1 ZINC000886100491 733748924 /nfs/dbraw/zinc/74/89/24/733748924.db2.gz OVXPLTCKXQFHQC-CQSZACIVSA-N 1 2 366.215 2.918 20 5 FFBDLO COC(=O)c1cc(NCc2nc(C[NH+](C)C)cs2)cc(C)c1[N+](=O)[O-] ZINC000895484602 735013467 /nfs/dbraw/zinc/01/34/67/735013467.db2.gz PKZLOXPBPBRSFA-UHFFFAOYSA-N 1 2 364.427 2.820 20 5 FFBDLO C[C@@H](OC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000741146545 735119715 /nfs/dbraw/zinc/11/97/15/735119715.db2.gz LZGWVQDGXZJOMZ-QMTHXVAHSA-N 1 2 369.805 2.603 20 5 FFBDLO C[C@@H](OC(=O)[C@H]1CCCC[N@H+]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000741146545 735119719 /nfs/dbraw/zinc/11/97/19/735119719.db2.gz LZGWVQDGXZJOMZ-QMTHXVAHSA-N 1 2 369.805 2.603 20 5 FFBDLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000741147705 735120323 /nfs/dbraw/zinc/12/03/23/735120323.db2.gz LLKZBVBUIXIPTI-CYBMUJFWSA-N 1 2 369.805 2.604 20 5 FFBDLO CC[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000741147705 735120325 /nfs/dbraw/zinc/12/03/25/735120325.db2.gz LLKZBVBUIXIPTI-CYBMUJFWSA-N 1 2 369.805 2.604 20 5 FFBDLO O=C(NC[C@@H]1CC1(Cl)Cl)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000913815150 737452947 /nfs/dbraw/zinc/45/29/47/737452947.db2.gz XZPDXSJBYGYZHV-JTQLQIEISA-N 1 2 355.181 2.704 20 5 FFBDLO CC[C@@]1(CO)CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000778327543 738372511 /nfs/dbraw/zinc/37/25/11/738372511.db2.gz YKESCBVPXHJIPB-MRXNPFEDSA-N 1 2 355.822 2.671 20 5 FFBDLO CC[C@@]1(CO)CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000778327543 738372515 /nfs/dbraw/zinc/37/25/15/738372515.db2.gz YKESCBVPXHJIPB-MRXNPFEDSA-N 1 2 355.822 2.671 20 5 FFBDLO Cc1c(C[N@@H+](C)[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cnn1C ZINC000790445902 739455008 /nfs/dbraw/zinc/45/50/08/739455008.db2.gz WSSOXYUTYRTUPR-LLVKDONJSA-N 1 2 365.821 2.749 20 5 FFBDLO Cc1c(C[N@H+](C)[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cnn1C ZINC000790445902 739455010 /nfs/dbraw/zinc/45/50/10/739455010.db2.gz WSSOXYUTYRTUPR-LLVKDONJSA-N 1 2 365.821 2.749 20 5 FFBDLO COC(=O)[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@H]([C@@H]2CCCO2)C1 ZINC000933179998 739579312 /nfs/dbraw/zinc/57/93/12/739579312.db2.gz LJLHAGTUKGXAQC-RDBSUJKOSA-N 1 2 354.428 2.589 20 5 FFBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@H]([C@@H]2CCCO2)C1 ZINC000933179998 739579314 /nfs/dbraw/zinc/57/93/14/739579314.db2.gz LJLHAGTUKGXAQC-RDBSUJKOSA-N 1 2 354.428 2.589 20 5 FFBDLO C[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)N1CC(F)(F)F ZINC000934794299 739843893 /nfs/dbraw/zinc/84/38/93/739843893.db2.gz JCXGRLDVBFLGLD-ZOWXZIJZSA-N 1 2 361.364 2.585 20 5 FFBDLO C[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)N1CC(F)(F)F ZINC000934794299 739843898 /nfs/dbraw/zinc/84/38/98/739843898.db2.gz JCXGRLDVBFLGLD-ZOWXZIJZSA-N 1 2 361.364 2.585 20 5 FFBDLO O=[N+]([O-])c1cccc(OCC[N@@H+](CCO)Cc2cccnc2Cl)c1 ZINC000796562843 740155029 /nfs/dbraw/zinc/15/50/29/740155029.db2.gz XPXMMODQCSQBJT-UHFFFAOYSA-N 1 2 351.790 2.517 20 5 FFBDLO O=[N+]([O-])c1cccc(OCC[N@H+](CCO)Cc2cccnc2Cl)c1 ZINC000796562843 740155033 /nfs/dbraw/zinc/15/50/33/740155033.db2.gz XPXMMODQCSQBJT-UHFFFAOYSA-N 1 2 351.790 2.517 20 5 FFBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cn1c(=O)scc1C(F)(F)F ZINC000800865705 740558261 /nfs/dbraw/zinc/55/82/61/740558261.db2.gz IEVJZESZMQPINV-UHFFFAOYSA-N 1 2 361.345 2.969 20 5 FFBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cn1c(=O)scc1C(F)(F)F ZINC000800865705 740558264 /nfs/dbraw/zinc/55/82/64/740558264.db2.gz IEVJZESZMQPINV-UHFFFAOYSA-N 1 2 361.345 2.969 20 5 FFBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CCc2c[nH+]ccc21 ZINC000815023151 741884858 /nfs/dbraw/zinc/88/48/58/741884858.db2.gz LCICFSZTAJYRRF-UHFFFAOYSA-N 1 2 357.750 2.534 20 5 FFBDLO O=C(NC[C@@H]1C[C@H]1C(F)(F)F)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000831354583 745519044 /nfs/dbraw/zinc/51/90/44/745519044.db2.gz YEMHMUTXHVFYJZ-WDEREUQCSA-N 1 2 354.288 2.709 20 5 FFBDLO CO[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1(C)C ZINC000831543904 745544846 /nfs/dbraw/zinc/54/48/46/745544846.db2.gz QHTPEISFBIVJTP-CQSZACIVSA-N 1 2 355.822 2.934 20 5 FFBDLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1(C)C ZINC000831543904 745544849 /nfs/dbraw/zinc/54/48/49/745544849.db2.gz QHTPEISFBIVJTP-CQSZACIVSA-N 1 2 355.822 2.934 20 5 FFBDLO CC1(C)C[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)[C@@H]2COC[C@@H]21 ZINC000840148971 747019824 /nfs/dbraw/zinc/01/98/24/747019824.db2.gz CHXYDGBWZBCBMR-GXTWGEPZSA-N 1 2 350.806 2.912 20 5 FFBDLO CC1(C)C[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)[C@@H]2COC[C@@H]21 ZINC000840148971 747019832 /nfs/dbraw/zinc/01/98/32/747019832.db2.gz CHXYDGBWZBCBMR-GXTWGEPZSA-N 1 2 350.806 2.912 20 5 FFBDLO C[C@H]([C@@H](OC(=O)C[N@H+](C)[C@@H]1CCSC1)c1ccccc1F)[N+](=O)[O-] ZINC000845875557 748342066 /nfs/dbraw/zinc/34/20/66/748342066.db2.gz LQAYOUWIPYLYEG-XHBSWPGZSA-N 1 2 356.419 2.513 20 5 FFBDLO C[C@H]([C@@H](OC(=O)C[N@@H+](C)[C@@H]1CCSC1)c1ccccc1F)[N+](=O)[O-] ZINC000845875557 748342075 /nfs/dbraw/zinc/34/20/75/748342075.db2.gz LQAYOUWIPYLYEG-XHBSWPGZSA-N 1 2 356.419 2.513 20 5 FFBDLO COCC[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@@H](O)C(F)(F)F ZINC000848922861 749035648 /nfs/dbraw/zinc/03/56/48/749035648.db2.gz ZYBZTIHYFBVQOI-GFCCVEGCSA-N 1 2 356.728 2.620 20 5 FFBDLO COCC[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@@H](O)C(F)(F)F ZINC000848922861 749035651 /nfs/dbraw/zinc/03/56/51/749035651.db2.gz ZYBZTIHYFBVQOI-GFCCVEGCSA-N 1 2 356.728 2.620 20 5 FFBDLO COC(CC[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1)OC ZINC000852021829 749753957 /nfs/dbraw/zinc/75/39/57/749753957.db2.gz LSRVINHGDYTNCD-UHFFFAOYSA-N 1 2 359.220 2.724 20 5 FFBDLO COC(CC[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1)OC ZINC000852021829 749753962 /nfs/dbraw/zinc/75/39/62/749753962.db2.gz LSRVINHGDYTNCD-UHFFFAOYSA-N 1 2 359.220 2.724 20 5 FFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000852504179 749878962 /nfs/dbraw/zinc/87/89/62/749878962.db2.gz ZWIACRCYDZAEDH-MXWKQRLJSA-N 1 2 355.822 2.524 20 5 FFBDLO CC(=O)NC[C@H]1CCC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000067382535 845503512 /nfs/dbraw/zinc/50/35/12/845503512.db2.gz ZDBCPBFOSISEDM-GFCCVEGCSA-N 1 2 364.427 2.678 20 5 FFBDLO CC(=O)NC[C@H]1CCC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000067382535 845503517 /nfs/dbraw/zinc/50/35/17/845503517.db2.gz ZDBCPBFOSISEDM-GFCCVEGCSA-N 1 2 364.427 2.678 20 5 FFBDLO C[NH+](C)Cc1ccnc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000176422608 845710280 /nfs/dbraw/zinc/71/02/80/845710280.db2.gz PHGHDCLCFOQFDC-UHFFFAOYSA-N 1 2 370.818 2.506 20 5 FFBDLO Cc1nn(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)c(C)c1[N+](=O)[O-] ZINC000748085204 959853491 /nfs/dbraw/zinc/85/34/91/959853491.db2.gz YRGCLNGEQSAJAH-UHFFFAOYSA-N 1 2 363.462 2.527 20 5 FFBDLO Cc1nn(C[N@@H+]2CC[C@H](C(F)(F)F)O[C@@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000872816783 1013266474 /nfs/dbraw/zinc/26/64/74/1013266474.db2.gz OFOZPUCFKSMQCB-TVQRCGJNSA-N 1 2 373.335 2.647 20 5 FFBDLO Cc1nn(C[N@H+]2CC[C@H](C(F)(F)F)O[C@@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000872816783 1013266490 /nfs/dbraw/zinc/26/64/90/1013266490.db2.gz OFOZPUCFKSMQCB-TVQRCGJNSA-N 1 2 373.335 2.647 20 5 FFBDLO C/C(=C\C(=O)N1CC[NH+](Cc2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000785063150 964173427 /nfs/dbraw/zinc/17/34/27/964173427.db2.gz VJFXGXNCQRLUJB-JQIJEIRASA-N 1 2 366.421 2.738 20 5 FFBDLO COCCOc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000891462884 964350121 /nfs/dbraw/zinc/35/01/21/964350121.db2.gz VMJRRADHRWUHGJ-UHFFFAOYSA-N 1 2 361.398 2.535 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@@H](c2ccccn2)C1 ZINC001270394942 965034618 /nfs/dbraw/zinc/03/46/18/965034618.db2.gz GSFULDDWDATCNF-OAHLLOKOSA-N 1 2 363.377 2.805 20 5 FFBDLO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000176204054 965572734 /nfs/dbraw/zinc/57/27/34/965572734.db2.gz FUGVHXIRTPTBBG-HOTGVXAUSA-N 1 2 354.410 2.898 20 5 FFBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000843764914 967085291 /nfs/dbraw/zinc/08/52/91/967085291.db2.gz DLOAEFGOFUAESF-UHFFFAOYSA-N 1 2 358.373 2.836 20 5 FFBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021555455 1014218103 /nfs/dbraw/zinc/21/81/03/1014218103.db2.gz VMYZZXOIODJELB-UHFFFAOYSA-N 1 2 368.437 2.619 20 5 FFBDLO CCc1cc(=O)[nH]c(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000121579244 979059670 /nfs/dbraw/zinc/05/96/70/979059670.db2.gz ZIRSGYRYVUNBOB-UHFFFAOYSA-N 1 2 358.398 2.696 20 5 FFBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000026234638 980729700 /nfs/dbraw/zinc/72/97/00/980729700.db2.gz ICLNZRZASAESTK-HNNXBMFYSA-N 1 2 365.389 2.855 20 5 FFBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000026234638 980729704 /nfs/dbraw/zinc/72/97/04/980729704.db2.gz ICLNZRZASAESTK-HNNXBMFYSA-N 1 2 365.389 2.855 20 5 FFBDLO CO[C@H]1C[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3F)Cc3cccnc3N2C1 ZINC000877687743 1014679936 /nfs/dbraw/zinc/67/99/36/1014679936.db2.gz LMILPRCOGWFIHJ-IRXDYDNUSA-N 1 2 372.400 2.738 20 5 FFBDLO CO[C@H]1C[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)Cc3cccnc3N2C1 ZINC000877687743 1014679944 /nfs/dbraw/zinc/67/99/44/1014679944.db2.gz LMILPRCOGWFIHJ-IRXDYDNUSA-N 1 2 372.400 2.738 20 5 FFBDLO Cc1cccn2cc(CCNC(=O)Cc3ccc(F)cc3[N+](=O)[O-])[nH+]c12 ZINC001126727108 981197827 /nfs/dbraw/zinc/19/78/27/981197827.db2.gz ADXLXOBOVFPUBV-UHFFFAOYSA-N 1 2 356.357 2.591 20 5 FFBDLO Cc1cccn2cc(CCNC(=O)c3c(C)c(F)ccc3[N+](=O)[O-])[nH+]c12 ZINC001126728064 981203101 /nfs/dbraw/zinc/20/31/01/981203101.db2.gz LGVQSZOGWALOTH-UHFFFAOYSA-N 1 2 356.357 2.971 20 5 FFBDLO Cc1ccc(C[NH2+][C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)cc1[N+](=O)[O-] ZINC000129256040 981632735 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O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CC4(CCC4)[C@H]3[C@H]3CCCO3)n2)cc1 ZINC000811789867 995262255 /nfs/dbraw/zinc/26/22/55/995262255.db2.gz ILUQQVBUMORENH-IAGOWNOFSA-N 1 2 369.425 2.844 20 5 FFBDLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000804336536 1000072763 /nfs/dbraw/zinc/07/27/63/1000072763.db2.gz LWZVCCISMFUJEZ-AWEZNQCLSA-N 1 2 369.425 2.526 20 5 FFBDLO C[C@@](O)(C1CC[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1)C(F)(F)F ZINC000767510743 1000118998 /nfs/dbraw/zinc/11/89/98/1000118998.db2.gz AOOSWJKIGGYJIV-OAHLLOKOSA-N 1 2 372.347 2.927 20 5 FFBDLO CCOc1ccc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)nc1 ZINC000785676172 1001466490 /nfs/dbraw/zinc/46/64/90/1001466490.db2.gz RETWVQVYNWSONR-UHFFFAOYSA-N 1 2 368.349 2.931 20 5 FFBDLO Nc1cc(COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc[nH+]1 ZINC000787587304 1001700246 /nfs/dbraw/zinc/70/02/46/1001700246.db2.gz YHNNLJTXVNCBEE-UHFFFAOYSA-N 1 2 356.382 2.919 20 5 FFBDLO COc1cc(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)cc([N+](=O)[O-])c1C 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AQWUJDZYKXERJG-GFCCVEGCSA-N 1 2 370.369 2.871 20 5 FFBDLO CC1(c2nnc(-c3cccnc3)o2)C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000854081551 1006666918 /nfs/dbraw/zinc/66/69/18/1006666918.db2.gz CLLXTVOAFDAGIM-UHFFFAOYSA-N 1 2 351.366 2.813 20 5 FFBDLO CCC[C@@H](C)NC(=O)[C@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000855085868 1007104288 /nfs/dbraw/zinc/10/42/88/1007104288.db2.gz NVXQOQBTNZDDTR-OLZOCXBDSA-N 1 2 374.397 2.631 20 5 FFBDLO CCOC[C@H]1CCC[N@H+](Cn2cc(C)n(-c3ccccc3[N+](=O)[O-])c2=O)C1 ZINC000113923786 1007700224 /nfs/dbraw/zinc/70/02/24/1007700224.db2.gz IWJGCNZDZBRBIB-INIZCTEOSA-N 1 2 374.441 2.562 20 5 FFBDLO CCOC[C@H]1CCC[N@@H+](Cn2cc(C)n(-c3ccccc3[N+](=O)[O-])c2=O)C1 ZINC000113923786 1007700232 /nfs/dbraw/zinc/70/02/32/1007700232.db2.gz IWJGCNZDZBRBIB-INIZCTEOSA-N 1 2 374.441 2.562 20 5 FFBDLO O=C(N[C@@H](C1CC1)[C@H]1CCCOC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000885485458 1007726758 /nfs/dbraw/zinc/72/67/58/1007726758.db2.gz GACRNIQXJQOGMW-YJBOKZPZSA-N 1 2 370.409 2.716 20 5 FFBDLO Cc1noc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000856813682 1007986823 /nfs/dbraw/zinc/98/68/23/1007986823.db2.gz LLBBRJGSNSYYGG-SJCJKPOMSA-N 1 2 366.418 2.770 20 5 FFBDLO Cc1noc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000856813682 1007986827 /nfs/dbraw/zinc/98/68/27/1007986827.db2.gz LLBBRJGSNSYYGG-SJCJKPOMSA-N 1 2 366.418 2.770 20 5 FFBDLO Cc1ccc(O[C@H]2CC[N@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)nc1 ZINC000858036050 1008284021 /nfs/dbraw/zinc/28/40/21/1008284021.db2.gz GGWKLQJYGYTTCM-INIZCTEOSA-N 1 2 370.409 2.698 20 5 FFBDLO Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)nc1 ZINC000858036050 1008284023 /nfs/dbraw/zinc/28/40/23/1008284023.db2.gz GGWKLQJYGYTTCM-INIZCTEOSA-N 1 2 370.409 2.698 20 5 FFBDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859171139 1008484327 /nfs/dbraw/zinc/48/43/27/1008484327.db2.gz IZQDYQAPPGUYAM-UHFFFAOYSA-N 1 2 357.410 2.589 20 5 FFBDLO CC1(C)COCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859171139 1008484329 /nfs/dbraw/zinc/48/43/29/1008484329.db2.gz IZQDYQAPPGUYAM-UHFFFAOYSA-N 1 2 357.410 2.589 20 5 FFBDLO COc1c(O)ccc(C[NH2+][C@@H](c2cnn(C)c2)c2ccccc2)c1[N+](=O)[O-] ZINC001180836452 1009856617 /nfs/dbraw/zinc/85/66/17/1009856617.db2.gz NTKWIBKMWUPANW-QGZVFWFLSA-N 1 2 368.393 2.922 20 5 FFBDLO CC[C@@H]1C[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C[C@]2(CCOC2)O1 ZINC000794692467 1010498883 /nfs/dbraw/zinc/49/88/83/1010498883.db2.gz GHHXQQGPDQNOAW-MOPGFXCFSA-N 1 2 372.425 2.686 20 5 FFBDLO CC[C@@H]1C[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C[C@]2(CCOC2)O1 ZINC000794692467 1010498887 /nfs/dbraw/zinc/49/88/87/1010498887.db2.gz GHHXQQGPDQNOAW-MOPGFXCFSA-N 1 2 372.425 2.686 20 5 FFBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000865889035 1010883246 /nfs/dbraw/zinc/88/32/46/1010883246.db2.gz BSEILTNIDHLIDD-CQSZACIVSA-N 1 2 372.400 2.577 20 5 FFBDLO C[C@@H]1C[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C[C@@]2(CCCOC2)O1 ZINC000794901511 1010938304 /nfs/dbraw/zinc/93/83/04/1010938304.db2.gz NSBABIHOHMZGSP-DNVCBOLYSA-N 1 2 372.425 2.686 20 5 FFBDLO C[C@@H]1C[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C[C@@]2(CCCOC2)O1 ZINC000794901511 1010938309 /nfs/dbraw/zinc/93/83/09/1010938309.db2.gz NSBABIHOHMZGSP-DNVCBOLYSA-N 1 2 372.425 2.686 20 5 FFBDLO CCOC(=O)C1([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC1 ZINC001173012144 1012181124 /nfs/dbraw/zinc/18/11/24/1012181124.db2.gz OSPXAQUIFZMKHN-UHFFFAOYSA-N 1 2 369.368 2.527 20 5 FFBDLO CCCN(CCC)C(=O)COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000748775261 1017637698 /nfs/dbraw/zinc/63/76/98/1017637698.db2.gz QQOUMPBVGGMYGT-UHFFFAOYSA-N 1 2 374.397 2.586 20 5 FFBDLO Cc1ccc(NCC[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)nc1 ZINC000927070643 1018345507 /nfs/dbraw/zinc/34/55/07/1018345507.db2.gz JMAGAJAVBMAXTN-SFHVURJKSA-N 1 2 366.425 2.823 20 5 FFBDLO O=C(NCC[NH+]1Cc2ccccc2C1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000930651794 1020121002 /nfs/dbraw/zinc/12/10/02/1020121002.db2.gz BOKBJYXZFLWVLA-MOPGFXCFSA-N 1 2 351.406 2.830 20 5 FFBDLO Cc1nn(C[N@@H+]2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000800855407 1020603192 /nfs/dbraw/zinc/60/31/92/1020603192.db2.gz CURYIQUAHMPEQB-QGZVFWFLSA-N 1 2 367.450 2.602 20 5 FFBDLO Cc1nn(C[N@H+]2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000800855407 1020603196 /nfs/dbraw/zinc/60/31/96/1020603196.db2.gz CURYIQUAHMPEQB-QGZVFWFLSA-N 1 2 367.450 2.602 20 5 FFBDLO COc1cc2c(cc1OC)C1(CCC1)[N@H+](Cc1cn(C)nc1[N+](=O)[O-])CC2 ZINC000932082885 1020700457 /nfs/dbraw/zinc/70/04/57/1020700457.db2.gz ZXOLZMAILUSIRY-UHFFFAOYSA-N 1 2 372.425 2.783 20 5 FFBDLO COc1cc2c(cc1OC)C1(CCC1)[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])CC2 ZINC000932082885 1020700467 /nfs/dbraw/zinc/70/04/67/1020700467.db2.gz ZXOLZMAILUSIRY-UHFFFAOYSA-N 1 2 372.425 2.783 20 5 FFBDLO CC(C)O[C@@]1(C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000903358060 1020803001 /nfs/dbraw/zinc/80/30/01/1020803001.db2.gz RESOIWIHRDYSKX-IEBWSBKVSA-N 1 2 374.441 2.591 20 5 FFBDLO Cc1nn(C[NH+]2CCN(c3ccccc3C)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749939270 1021148150 /nfs/dbraw/zinc/14/81/50/1021148150.db2.gz WWMTZWREPWNPJK-UHFFFAOYSA-N 1 2 366.425 2.736 20 5 FFBDLO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000754208366 1023440830 /nfs/dbraw/zinc/44/08/30/1023440830.db2.gz DNCRYOJULDIEQN-UHFFFAOYSA-N 1 2 358.354 2.725 20 5 FFBDLO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000754208366 1023440836 /nfs/dbraw/zinc/44/08/36/1023440836.db2.gz DNCRYOJULDIEQN-UHFFFAOYSA-N 1 2 358.354 2.725 20 5 FFBDLO CCCSc1nc(O[C@H]2C[NH2+]Cc3ccccc32)c([N+](=O)[O-])c(=O)[nH]1 ZINC001218485714 1033176693 /nfs/dbraw/zinc/17/66/93/1033176693.db2.gz ATOYCUZBKYSKBO-LBPRGKRZSA-N 1 2 362.411 2.816 20 5 FFBDLO CCC(C)(C)NC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000838099909 1026207065 /nfs/dbraw/zinc/20/70/65/1026207065.db2.gz ABNDJQOHIALZFC-LBPRGKRZSA-N 1 2 374.397 2.631 20 5 FFBDLO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001159829196 1027512865 /nfs/dbraw/zinc/51/28/65/1027512865.db2.gz ORLZPOLFWODESQ-LBPRGKRZSA-N 1 2 372.429 2.543 20 5 FFBDLO COc1ccc(Cn2c[nH+]cc2CNc2ncc([N+](=O)[O-])c(C)n2)cc1 ZINC001161512085 1028209828 /nfs/dbraw/zinc/20/98/28/1028209828.db2.gz FAWJWLNAJRQWMZ-UHFFFAOYSA-N 1 2 354.370 2.559 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]C[C@H](O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000780762622 1028798986 /nfs/dbraw/zinc/79/89/86/1028798986.db2.gz LVPDPMNWYKWFIJ-ROUUACIJSA-N 1 2 352.394 2.741 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000780762423 1028799239 /nfs/dbraw/zinc/79/92/39/1028799239.db2.gz GSJUBUQUAHKSAM-ZWKOTPCHSA-N 1 2 352.394 2.741 20 5 FFBDLO Cc1ccc(C[N@@H+]2CCO[C@H](CNc3ccc([N+](=O)[O-])c(C)n3)C2)cc1 ZINC001163941910 1029123312 /nfs/dbraw/zinc/12/33/12/1029123312.db2.gz CYHWHKWHPXODQO-QGZVFWFLSA-N 1 2 356.426 2.920 20 5 FFBDLO Cc1ccc(C[N@H+]2CCO[C@H](CNc3ccc([N+](=O)[O-])c(C)n3)C2)cc1 ZINC001163941910 1029123320 /nfs/dbraw/zinc/12/33/20/1029123320.db2.gz CYHWHKWHPXODQO-QGZVFWFLSA-N 1 2 356.426 2.920 20 5 FFBDLO O=C(OCCCn1cc[nH+]c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000782954697 1029863282 /nfs/dbraw/zinc/86/32/82/1029863282.db2.gz DRXWBZUHHSCPTI-UHFFFAOYSA-N 1 2 373.287 2.980 20 5 FFBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000782974092 1029869604 /nfs/dbraw/zinc/86/96/04/1029869604.db2.gz OCDNXHXONVVEHX-UHFFFAOYSA-N 1 2 371.441 2.848 20 5 FFBDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001142036247 1029910639 /nfs/dbraw/zinc/91/06/39/1029910639.db2.gz DBYCLDVWAUXZIA-UHFFFAOYSA-N 1 2 370.822 2.666 20 5 FFBDLO COc1ccc(NC(=O)NC[C@H]2c3ccccc3C[N@H+]2C)c([N+](=O)[O-])c1 ZINC001219572371 1033696077 /nfs/dbraw/zinc/69/60/77/1033696077.db2.gz MOZFQKXLBMJIBX-KRWDZBQOSA-N 1 2 356.382 2.912 20 5 FFBDLO COc1ccc(NC(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)c([N+](=O)[O-])c1 ZINC001219572371 1033696084 /nfs/dbraw/zinc/69/60/84/1033696084.db2.gz MOZFQKXLBMJIBX-KRWDZBQOSA-N 1 2 356.382 2.912 20 5 FFBDLO C[C@H](Oc1c(O)cccc1[N+](=O)[O-])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001226333163 1034633209 /nfs/dbraw/zinc/63/32/09/1034633209.db2.gz HSQMWUSMFPLGPP-KBXCAEBGSA-N 1 2 358.394 2.969 20 5 FFBDLO C[C@H](Oc1c(O)cccc1[N+](=O)[O-])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001226333163 1034633214 /nfs/dbraw/zinc/63/32/14/1034633214.db2.gz HSQMWUSMFPLGPP-KBXCAEBGSA-N 1 2 358.394 2.969 20 5 FFBDLO CC(C)(CCc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1)[N+](=O)[O-] ZINC000834429919 1035384415 /nfs/dbraw/zinc/38/44/15/1035384415.db2.gz AJKLGCUQKHKNNN-UHFFFAOYSA-N 1 2 360.414 2.557 20 5 FFBDLO Cc1ccc(N2CCC[C@H](Oc3ncc([N+](=O)[O-])c4nc[nH]c43)C2)[nH+]c1 ZINC001227691128 1035675587 /nfs/dbraw/zinc/67/55/87/1035675587.db2.gz MUENTJDJUDZSFU-LBPRGKRZSA-N 1 2 354.370 2.617 20 5 FFBDLO O=C(O[C@@H](C(F)F)[C@H]1CCCO1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835361107 1035716186 /nfs/dbraw/zinc/71/61/86/1035716186.db2.gz WDMCEWNPYOLBSD-ZIAGYGMSSA-N 1 2 367.308 2.750 20 5 FFBDLO O=c1c2cccc(O)c2oc2cc(O)cc(O[C@H]3C[NH+]4CCC3CC4)c21 ZINC001234741535 1037161596 /nfs/dbraw/zinc/16/15/96/1037161596.db2.gz JMYGPZOBWYRCQD-KRWDZBQOSA-N 1 2 353.374 2.830 20 5 FFBDLO CC[N@H+]1CC[C@@H](Oc2c(O)ccc3c(=O)c4c(O)cc(O)cc4oc32)C1 ZINC001234751242 1037167187 /nfs/dbraw/zinc/16/71/87/1037167187.db2.gz VNNRHUQQKVZLLS-LLVKDONJSA-N 1 2 357.362 2.536 20 5 FFBDLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1cnc(OC)c([N+](=O)[O-])c1 ZINC001210136627 1039400554 /nfs/dbraw/zinc/40/05/54/1039400554.db2.gz MIWZYFWOMDXEFP-UHFFFAOYSA-N 1 2 370.369 2.894 20 5 FFBDLO c1cnc2c(c1)ccc1ccc(-c3noc(CC[NH+]4CCOCC4)n3)nc12 ZINC001247455124 1039759979 /nfs/dbraw/zinc/75/99/79/1039759979.db2.gz HZMXBXKFHCZQGW-UHFFFAOYSA-N 1 2 361.405 2.708 20 5 FFBDLO O=C(c1ccccc1F)N1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254600755 1040829190 /nfs/dbraw/zinc/82/91/90/1040829190.db2.gz REZOBCSWCRWXLF-KRWDZBQOSA-N 1 2 369.396 2.659 20 5 FFBDLO COc1cccc(C[NH+]2CCN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)c1 ZINC001254602438 1040833306 /nfs/dbraw/zinc/83/33/06/1040833306.db2.gz FWIXHWWSOMZQCJ-FQEVSTJZSA-N 1 2 367.449 2.888 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCO[C@@H](COc3ccccc3)C1)C2 ZINC001254608686 1040837195 /nfs/dbraw/zinc/83/71/95/1040837195.db2.gz SGTDZZWZNXIXEK-UYAOXDASSA-N 1 2 354.406 2.842 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCO[C@@H](COc3ccccc3)C1)C2 ZINC001254608686 1040837204 /nfs/dbraw/zinc/83/72/04/1040837204.db2.gz SGTDZZWZNXIXEK-UYAOXDASSA-N 1 2 354.406 2.842 20 5 FFBDLO O=[N+]([O-])c1cc(-c2nc(Cc3cscn3)no2)ccc1-n1cc[nH+]c1 ZINC001254815500 1040976129 /nfs/dbraw/zinc/97/61/29/1040976129.db2.gz WQBZKNZDRAOHTQ-UHFFFAOYSA-N 1 2 354.351 2.878 20 5 FFBDLO CCNc1cc(CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC001313320415 1044313634 /nfs/dbraw/zinc/31/36/34/1044313634.db2.gz NWZIWJKFCBFGOE-UHFFFAOYSA-N 1 2 357.414 2.806 20 5 FFBDLO CN(C)c1cc(CSc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)cc[nH+]1 ZINC001321215105 1045587954 /nfs/dbraw/zinc/58/79/54/1045587954.db2.gz LLTWCYSRZUVPNR-UHFFFAOYSA-N 1 2 367.452 2.752 20 5 FFBDLO CC(C)N(CC[N@H+](C)Cc1sccc1Cl)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001284533623 1046565710 /nfs/dbraw/zinc/56/57/10/1046565710.db2.gz OVHZBDQIJDLOCO-DGCLKSJQSA-N 1 2 359.879 2.736 20 5 FFBDLO CC(C)N(CC[N@@H+](C)Cc1sccc1Cl)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001284533623 1046565725 /nfs/dbraw/zinc/56/57/25/1046565725.db2.gz OVHZBDQIJDLOCO-DGCLKSJQSA-N 1 2 359.879 2.736 20 5 FFBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001301661086 1050948508 /nfs/dbraw/zinc/94/85/08/1050948508.db2.gz HSAUMVMWAYSNSW-QGZVFWFLSA-N 1 2 359.813 2.964 20 5 FFBDLO COc1cc(O)ccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001303622776 1051405436 /nfs/dbraw/zinc/40/54/36/1051405436.db2.gz DXDQRWYBJSOFPX-UHFFFAOYSA-N 1 2 354.322 2.747 20 5 FFBDLO CCNc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cn1 ZINC001304343828 1051599617 /nfs/dbraw/zinc/59/96/17/1051599617.db2.gz XEQUFTMYGOGYSL-UHFFFAOYSA-N 1 2 352.354 2.860 20 5 FFBDLO CCOC(=O)[C@H]1CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001308121557 1052412578 /nfs/dbraw/zinc/41/25/78/1052412578.db2.gz IVXZZTHKQZNJOS-JTQLQIEISA-N 1 2 357.204 2.742 20 5 FFBDLO CCOC(=O)[C@H]1CC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001308121557 1052412581 /nfs/dbraw/zinc/41/25/81/1052412581.db2.gz IVXZZTHKQZNJOS-JTQLQIEISA-N 1 2 357.204 2.742 20 5 FFBDLO COc1cccc([C@H]2CN(C(=O)c3cc(F)cc(C)c3[N+](=O)[O-])CC[NH2+]2)c1 ZINC001336055501 1053737814 /nfs/dbraw/zinc/73/78/14/1053737814.db2.gz QVDUDDMKEKMUFC-QGZVFWFLSA-N 1 2 373.384 2.838 20 5 FFBDLO Cc1cc(C[N@@H+]2CCCN(c3ncnc4ccc([N+](=O)[O-])cc43)CC2)no1 ZINC001337566279 1054850655 /nfs/dbraw/zinc/85/06/55/1054850655.db2.gz HQHHJPZMNCHJLD-UHFFFAOYSA-N 1 2 368.397 2.547 20 5 FFBDLO Cc1cc(C[N@H+]2CCCN(c3ncnc4ccc([N+](=O)[O-])cc43)CC2)no1 ZINC001337566279 1054850662 /nfs/dbraw/zinc/85/06/62/1054850662.db2.gz HQHHJPZMNCHJLD-UHFFFAOYSA-N 1 2 368.397 2.547 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCCC[C@@]12CCCOC2 ZINC001338527659 1055594984 /nfs/dbraw/zinc/59/49/84/1055594984.db2.gz IVHUPOSEOZNRFT-IBGZPJMESA-N 1 2 370.409 2.956 20 5 FFBDLO COc1cccc(C(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC001353791201 1058224507 /nfs/dbraw/zinc/22/45/07/1058224507.db2.gz ZGSOJEDAYGPBRC-HNNXBMFYSA-N 1 2 359.357 2.529 20 5 FFBDLO Cc1[nH]c([C@H]2CCCN2C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[nH+]c1C ZINC001455763663 1059903684 /nfs/dbraw/zinc/90/36/84/1059903684.db2.gz NOAKRBLBJYFBSE-CQSZACIVSA-N 1 2 354.370 2.788 20 5 FFBDLO O=C(N1CCC(c2[nH]cc[nH+]2)CC1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848582190 1060310109 /nfs/dbraw/zinc/31/01/09/1060310109.db2.gz GPZWBGUWTBQTDB-UHFFFAOYSA-N 1 2 366.324 2.696 20 5 FFBDLO Cc1cc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)c(C)c[nH+]1 ZINC001458489401 1060604662 /nfs/dbraw/zinc/60/46/62/1060604662.db2.gz PLELEKIZHIMACQ-UHFFFAOYSA-N 1 2 355.329 2.606 20 5 FFBDLO COC(=O)c1ccsc1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001355870159 1060674941 /nfs/dbraw/zinc/67/49/41/1060674941.db2.gz UMDSIPPXZBBVHK-UHFFFAOYSA-N 1 2 372.362 2.881 20 5 FFBDLO CC(C)Cc1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cn1 ZINC001462312008 1061578930 /nfs/dbraw/zinc/57/89/30/1061578930.db2.gz GODCMLMDJISVGV-UHFFFAOYSA-N 1 2 355.442 2.906 20 5 FFBDLO O=C(Nc1cccc2[nH+]ccn21)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001360441954 1061957556 /nfs/dbraw/zinc/95/75/56/1061957556.db2.gz YWUICYRYFIIGGV-UHFFFAOYSA-N 1 2 354.322 2.656 20 5 FFBDLO CC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)[N@@H+]1CCc2ccccc2C1 ZINC001464095904 1062423330 /nfs/dbraw/zinc/42/33/30/1062423330.db2.gz AWBATRNASXKEIE-INIZCTEOSA-N 1 2 369.421 2.867 20 5 FFBDLO CC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)[N@H+]1CCc2ccccc2C1 ZINC001464095904 1062423340 /nfs/dbraw/zinc/42/33/40/1062423340.db2.gz AWBATRNASXKEIE-INIZCTEOSA-N 1 2 369.421 2.867 20 5 FFBDLO O=C(NCc1cccc(F)c1F)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001530692597 1062619431 /nfs/dbraw/zinc/61/94/31/1062619431.db2.gz RAMKJPSOIWXIBK-UHFFFAOYSA-N 1 2 358.304 2.989 20 5 FFBDLO Cc1ncsc1CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001468200982 1063942741 /nfs/dbraw/zinc/94/27/41/1063942741.db2.gz LSXBDGNTCMMHBV-UHFFFAOYSA-N 1 2 357.395 2.518 20 5 FFBDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC001471720297 1064770536 /nfs/dbraw/zinc/77/05/36/1064770536.db2.gz ALLNZBTYGWVJAX-HNNXBMFYSA-N 1 2 363.458 2.733 20 5 FFBDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC001471720297 1064770547 /nfs/dbraw/zinc/77/05/47/1064770547.db2.gz ALLNZBTYGWVJAX-HNNXBMFYSA-N 1 2 363.458 2.733 20 5 FFBDLO CCOc1cc(C[N@@H+]2CCOc3ccccc3[C@H]2CO)ccc1[N+](=O)[O-] ZINC001473825204 1065379990 /nfs/dbraw/zinc/37/99/90/1065379990.db2.gz HEGVZXBICLGCEJ-QGZVFWFLSA-N 1 2 358.394 2.922 20 5 FFBDLO CCOc1cc(C[N@H+]2CCOc3ccccc3[C@H]2CO)ccc1[N+](=O)[O-] ZINC001473825204 1065379998 /nfs/dbraw/zinc/37/99/98/1065379998.db2.gz HEGVZXBICLGCEJ-QGZVFWFLSA-N 1 2 358.394 2.922 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(CO)(C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC001473852700 1065391442 /nfs/dbraw/zinc/39/14/42/1065391442.db2.gz WOPXILKFSPPELG-UHFFFAOYSA-N 1 2 363.292 2.640 20 5 FFBDLO O=C(N[C@H]1CCc2ccc(O)cc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001584973938 1079410357 /nfs/dbraw/zinc/41/03/57/1079410357.db2.gz UFUYQDDWMLHUGT-INIZCTEOSA-N 1 2 364.361 2.903 20 5 FFBDLO O=C(NOCCOc1ccccc1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001558778474 1076075012 /nfs/dbraw/zinc/07/50/12/1076075012.db2.gz XJAJKDWCQYCEHU-UHFFFAOYSA-N 1 2 368.349 2.521 20 5 FFBDLO O=[N+]([O-])c1cccc(Br)c1CSCC[NH+]1CCOCC1 ZINC001559355052 1076152006 /nfs/dbraw/zinc/15/20/06/1076152006.db2.gz MWLBNZVCWYLGBP-UHFFFAOYSA-N 1 2 361.261 2.923 20 5 FFBDLO Cc1[nH]c([C@@H]2CCCN2CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[nH+]c1C ZINC001560138034 1076233285 /nfs/dbraw/zinc/23/32/85/1076233285.db2.gz NVWTVKFGLINZRZ-INIZCTEOSA-N 1 2 369.425 2.661 20 5 FFBDLO CC(C)(C)[C@@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCO1 ZINC001560236283 1076253831 /nfs/dbraw/zinc/25/38/31/1076253831.db2.gz JQZCIFPJYPDTBV-KRWDZBQOSA-N 1 2 361.442 2.621 20 5 FFBDLO CC(C)(C)[C@@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCO1 ZINC001560236283 1076253836 /nfs/dbraw/zinc/25/38/36/1076253836.db2.gz JQZCIFPJYPDTBV-KRWDZBQOSA-N 1 2 361.442 2.621 20 5 FFBDLO CC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C(=O)NCc1cccs1 ZINC001560905156 1076308034 /nfs/dbraw/zinc/30/80/34/1076308034.db2.gz SIVYHTOZTABRHC-ZDUSSCGKSA-N 1 2 374.422 2.982 20 5 FFBDLO CCc1ccc(C[NH+]2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])CC2)cc1 ZINC001589161312 1080389595 /nfs/dbraw/zinc/38/95/95/1080389595.db2.gz CBJLYFWSCUHSLI-UHFFFAOYSA-N 1 2 368.437 2.697 20 5 FFBDLO CC[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000030911306 249359124 /nfs/dbraw/zinc/35/91/24/249359124.db2.gz IDERVVZYJJGMHZ-INIZCTEOSA-N 1 2 360.458 2.508 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000093244011 250026059 /nfs/dbraw/zinc/02/60/59/250026059.db2.gz FCTMXWXUNDKKND-OAHLLOKOSA-N 1 2 354.410 2.924 20 5 FFBDLO O=[N+]([O-])c1ccccc1C[NH+]1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000186769106 251259498 /nfs/dbraw/zinc/25/94/98/251259498.db2.gz RRHSPKPNMQPZGN-UHFFFAOYSA-N 1 2 373.360 2.787 20 5 FFBDLO C[N@@H+]1CCc2nc(NC(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000272454074 252041930 /nfs/dbraw/zinc/04/19/30/252041930.db2.gz CNVNFFFHNJCTQN-UHFFFAOYSA-N 1 2 368.365 2.770 20 5 FFBDLO C[N@H+]1CCc2nc(NC(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000272454074 252041932 /nfs/dbraw/zinc/04/19/32/252041932.db2.gz CNVNFFFHNJCTQN-UHFFFAOYSA-N 1 2 368.365 2.770 20 5 FFBDLO Cc1ccc([C@@H](O)C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000272511820 252056571 /nfs/dbraw/zinc/05/65/71/252056571.db2.gz JFALBKYXQQSPDB-RDJZCZTQSA-N 1 2 356.382 2.642 20 5 FFBDLO Cn1cc[nH+]c1[C@H](Nc1cnn(CC(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000272524355 252060776 /nfs/dbraw/zinc/06/07/76/252060776.db2.gz LSNRSIJBWVPFMG-OAHLLOKOSA-N 1 2 362.340 2.991 20 5 FFBDLO Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)C1)CCCC2 ZINC000275584607 256027058 /nfs/dbraw/zinc/02/70/58/256027058.db2.gz JFCNMPTWQCYXRU-CQSZACIVSA-N 1 2 370.409 2.771 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@](C)(O)CC1 ZINC000280252565 256496651 /nfs/dbraw/zinc/49/66/51/256496651.db2.gz XEWWWSSSQQPKRZ-BZNIZROVSA-N 1 2 355.822 2.812 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@](C)(O)CC1 ZINC000280252565 256496652 /nfs/dbraw/zinc/49/66/52/256496652.db2.gz XEWWWSSSQQPKRZ-BZNIZROVSA-N 1 2 355.822 2.812 20 5 FFBDLO Cc1nn(C(C)C)cc1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000281156184 256610000 /nfs/dbraw/zinc/61/00/00/256610000.db2.gz BDEJGXJCDACDSY-UHFFFAOYSA-N 1 2 371.441 2.639 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1c(F)cncc1F ZINC000285687289 256999632 /nfs/dbraw/zinc/99/96/32/256999632.db2.gz NOXOYONYLMQRTQ-JTQLQIEISA-N 1 2 350.325 2.866 20 5 FFBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000287818036 257117205 /nfs/dbraw/zinc/11/72/05/257117205.db2.gz KDRKKRRILPJDGZ-UHFFFAOYSA-N 1 2 372.332 2.995 20 5 FFBDLO CCn1c(C)nc([N+](=O)[O-])c1N1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000289653505 257292169 /nfs/dbraw/zinc/29/21/69/257292169.db2.gz NXPVAAYMZQXAQD-UHFFFAOYSA-N 1 2 352.398 2.868 20 5 FFBDLO Cc1cnn([C@H]2CC[N@H+](CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C2)c1 ZINC000289894299 257305214 /nfs/dbraw/zinc/30/52/14/257305214.db2.gz MXPCSYUITCIVLV-ZDUSSCGKSA-N 1 2 363.805 2.639 20 5 FFBDLO Cc1cnn([C@H]2CC[N@@H+](CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C2)c1 ZINC000289894299 257305215 /nfs/dbraw/zinc/30/52/15/257305215.db2.gz MXPCSYUITCIVLV-ZDUSSCGKSA-N 1 2 363.805 2.639 20 5 FFBDLO Cc1cnn([C@H]2CC[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)c1 ZINC000290002697 257310742 /nfs/dbraw/zinc/31/07/42/257310742.db2.gz TXFYQEOIFJOFOC-HNNXBMFYSA-N 1 2 354.370 2.597 20 5 FFBDLO Cc1cnn([C@H]2CC[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)c1 ZINC000290002697 257310743 /nfs/dbraw/zinc/31/07/43/257310743.db2.gz TXFYQEOIFJOFOC-HNNXBMFYSA-N 1 2 354.370 2.597 20 5 FFBDLO CCc1nnc(CN[C@@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000290087593 257314807 /nfs/dbraw/zinc/31/48/07/257314807.db2.gz HEMGWASESMDVJR-OAHLLOKOSA-N 1 2 358.427 2.621 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)CC1(C)C ZINC000295947143 257653878 /nfs/dbraw/zinc/65/38/78/257653878.db2.gz QOKKWOFQZYMYQE-CYBMUJFWSA-N 1 2 350.325 2.830 20 5 FFBDLO Cc1cc(NCc2nnc3n2CCC3)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301095090 258024468 /nfs/dbraw/zinc/02/44/68/258024468.db2.gz IZVLKAFTZUIIQE-UHFFFAOYSA-N 1 2 351.370 2.510 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccncc3)CC2)c(OC(F)F)c1 ZINC000302060637 258085419 /nfs/dbraw/zinc/08/54/19/258085419.db2.gz SSWLKKPXYVCCLV-UHFFFAOYSA-N 1 2 364.352 2.913 20 5 FFBDLO O=[N+]([O-])c1c2cccnc2ccc1N1CCC([C@@H](O)c2[nH]cc[nH+]2)CC1 ZINC000302759992 258109911 /nfs/dbraw/zinc/10/99/11/258109911.db2.gz JTVVAVMPVJSICM-QGZVFWFLSA-N 1 2 353.382 2.816 20 5 FFBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000301525097 258053994 /nfs/dbraw/zinc/05/39/94/258053994.db2.gz HHQQFPIZYBQERX-UHFFFAOYSA-N 1 2 365.393 2.811 20 5 FFBDLO CCNC(=O)N1CC[C@H](Nc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000301630929 258059798 /nfs/dbraw/zinc/05/97/98/258059798.db2.gz CMJHBFZIWSFEPX-AWEZNQCLSA-N 1 2 370.413 2.576 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000331334642 258182541 /nfs/dbraw/zinc/18/25/41/258182541.db2.gz JIWQLIOZXAEMCZ-UHFFFAOYSA-N 1 2 363.458 2.703 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000331334642 258182542 /nfs/dbraw/zinc/18/25/42/258182542.db2.gz JIWQLIOZXAEMCZ-UHFFFAOYSA-N 1 2 363.458 2.703 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CCCC2CCOCC2)CC1 ZINC000331887701 258204746 /nfs/dbraw/zinc/20/47/46/258204746.db2.gz NLRSVLYSONKAIV-UHFFFAOYSA-N 1 2 367.471 2.621 20 5 FFBDLO Cc1ccc(NC(=O)C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1F ZINC000047745529 136122828 /nfs/dbraw/zinc/12/28/28/136122828.db2.gz BOHKKLIBDWBCJY-UHFFFAOYSA-N 1 2 372.400 2.803 20 5 FFBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)CCC2 ZINC000370954982 512151649 /nfs/dbraw/zinc/15/16/49/512151649.db2.gz WSZDIEGATPLNLI-ZDUSSCGKSA-N 1 2 362.817 2.989 20 5 FFBDLO Cc1[nH+]c2ccccc2n1CCNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000409855760 512155808 /nfs/dbraw/zinc/15/58/08/512155808.db2.gz JSBSMLNOSFBYLH-UHFFFAOYSA-N 1 2 374.422 2.540 20 5 FFBDLO O=C(NCCOc1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032164528 506233989 /nfs/dbraw/zinc/23/39/89/506233989.db2.gz XGRDPSYVBGQJIC-UHFFFAOYSA-N 1 2 352.350 2.589 20 5 FFBDLO CC(C)(C)CC[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000053098614 506312022 /nfs/dbraw/zinc/31/20/22/506312022.db2.gz HGOMFEBVTLCULO-UHFFFAOYSA-N 1 2 369.487 2.557 20 5 FFBDLO Cc1noc(C2CC[NH+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)n1 ZINC000053640305 506421222 /nfs/dbraw/zinc/42/12/22/506421222.db2.gz JLWJPZXQTFBXBW-LBPRGKRZSA-N 1 2 373.413 2.801 20 5 FFBDLO O=C(C[N@@H+](Cc1ccco1)C[C@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000066436091 506518969 /nfs/dbraw/zinc/51/89/69/506518969.db2.gz YARLHFBPITWLPV-OAHLLOKOSA-N 1 2 359.382 2.808 20 5 FFBDLO O=C(C[N@H+](Cc1ccco1)C[C@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000066436091 506518975 /nfs/dbraw/zinc/51/89/75/506518975.db2.gz YARLHFBPITWLPV-OAHLLOKOSA-N 1 2 359.382 2.808 20 5 FFBDLO O=[N+]([O-])c1c(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)nc2sccn21 ZINC000008376120 506648370 /nfs/dbraw/zinc/64/83/70/506648370.db2.gz BYZFPJDZSUQSDI-AWEZNQCLSA-N 1 2 373.438 2.789 20 5 FFBDLO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000066852091 506666761 /nfs/dbraw/zinc/66/67/61/506666761.db2.gz BQYUJHXSQXPPPQ-BPAFIMBUSA-N 1 2 372.421 2.797 20 5 FFBDLO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000066852091 506666768 /nfs/dbraw/zinc/66/67/68/506666768.db2.gz BQYUJHXSQXPPPQ-BPAFIMBUSA-N 1 2 372.421 2.797 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000067025152 506729118 /nfs/dbraw/zinc/72/91/18/506729118.db2.gz SYMHNNUEPPXDCL-SFHVURJKSA-N 1 2 369.421 2.534 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000067025152 506729127 /nfs/dbraw/zinc/72/91/27/506729127.db2.gz SYMHNNUEPPXDCL-SFHVURJKSA-N 1 2 369.421 2.534 20 5 FFBDLO Cc1ccccc1OCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000055954035 506895520 /nfs/dbraw/zinc/89/55/20/506895520.db2.gz PYZLRWXNHPOVNP-UHFFFAOYSA-N 1 2 366.377 2.898 20 5 FFBDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)NCc1ccccc1[N+](=O)[O-] ZINC000045491658 506974829 /nfs/dbraw/zinc/97/48/29/506974829.db2.gz WZIJPZYOULLIOU-UHFFFAOYSA-N 1 2 359.773 2.895 20 5 FFBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000016638216 507100618 /nfs/dbraw/zinc/10/06/18/507100618.db2.gz YALFFUYQHGRJMC-AWEZNQCLSA-N 1 2 372.450 2.819 20 5 FFBDLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000068196939 507146172 /nfs/dbraw/zinc/14/61/72/507146172.db2.gz JPPZRBXBEWDYMB-UHFFFAOYSA-N 1 2 359.357 2.818 20 5 FFBDLO Cc1cccc(OCCNC(=O)[C@H](C)[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000046599485 507156667 /nfs/dbraw/zinc/15/66/67/507156667.db2.gz CNEXUHVUMRSARI-INIZCTEOSA-N 1 2 371.437 2.919 20 5 FFBDLO Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000046599485 507156675 /nfs/dbraw/zinc/15/66/75/507156675.db2.gz CNEXUHVUMRSARI-INIZCTEOSA-N 1 2 371.437 2.919 20 5 FFBDLO COc1ccccc1CN(C)C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046598965 507157307 /nfs/dbraw/zinc/15/73/07/507157307.db2.gz XBBIRANSSMQRLM-UHFFFAOYSA-N 1 2 357.410 2.694 20 5 FFBDLO COc1ccccc1CN(C)C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046598965 507157311 /nfs/dbraw/zinc/15/73/11/507157311.db2.gz XBBIRANSSMQRLM-UHFFFAOYSA-N 1 2 357.410 2.694 20 5 FFBDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000021475935 507255676 /nfs/dbraw/zinc/25/56/76/507255676.db2.gz RNNKKEJQFMJLAG-UHFFFAOYSA-N 1 2 369.421 2.952 20 5 FFBDLO CC(C)c1ccc(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000367083384 512329972 /nfs/dbraw/zinc/32/99/72/512329972.db2.gz FRJIFXYWANZZNO-KRWDZBQOSA-N 1 2 354.410 2.900 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000047273931 507298670 /nfs/dbraw/zinc/29/86/70/507298670.db2.gz MFMQTTBPBKOAIG-CQSZACIVSA-N 1 2 360.370 2.675 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000047273931 507298673 /nfs/dbraw/zinc/29/86/73/507298673.db2.gz MFMQTTBPBKOAIG-CQSZACIVSA-N 1 2 360.370 2.675 20 5 FFBDLO Cc1cc(C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000057756138 507322667 /nfs/dbraw/zinc/32/26/67/507322667.db2.gz WLPMCDHEKQAHJR-UHFFFAOYSA-N 1 2 356.304 2.934 20 5 FFBDLO COc1ccccc1[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1[nH+]ccn1C ZINC000057853505 507342224 /nfs/dbraw/zinc/34/22/24/507342224.db2.gz SQLWSLKRJHSDCU-HNNXBMFYSA-N 1 2 372.406 2.918 20 5 FFBDLO CNc1ccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)cc1[N+](=O)[O-] ZINC000023735558 507370294 /nfs/dbraw/zinc/37/02/94/507370294.db2.gz LLNDIGNCUGYURM-UHFFFAOYSA-N 1 2 360.439 2.656 20 5 FFBDLO O=C(NCCCn1cc[nH+]c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000047699340 507381307 /nfs/dbraw/zinc/38/13/07/507381307.db2.gz WVGXCFFAKQZUFT-UHFFFAOYSA-N 1 2 372.303 2.553 20 5 FFBDLO CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047743383 507387652 /nfs/dbraw/zinc/38/76/52/507387652.db2.gz DAJYWMWFNNAGCQ-DLBZAZTESA-N 1 2 374.485 2.896 20 5 FFBDLO CN(C)c1[nH+]cccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000047976191 507427537 /nfs/dbraw/zinc/42/75/37/507427537.db2.gz XGNRQTLKKSCOAQ-UHFFFAOYSA-N 1 2 355.398 2.908 20 5 FFBDLO C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)Oc1ccccc1 ZINC000070895621 507655067 /nfs/dbraw/zinc/65/50/67/507655067.db2.gz AUAWFNJQHMOHQV-CQSZACIVSA-N 1 2 366.377 2.978 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000027416779 507655468 /nfs/dbraw/zinc/65/54/68/507655468.db2.gz ZWQANSQPASUHSI-MRXNPFEDSA-N 1 2 354.341 2.987 20 5 FFBDLO COc1ccc(Cl)cc1C[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000027737578 507680224 /nfs/dbraw/zinc/68/02/24/507680224.db2.gz SLLZHDLFEKNAAV-UHFFFAOYSA-N 1 2 363.801 2.988 20 5 FFBDLO COc1ccc(Cl)cc1C[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000027737578 507680228 /nfs/dbraw/zinc/68/02/28/507680228.db2.gz SLLZHDLFEKNAAV-UHFFFAOYSA-N 1 2 363.801 2.988 20 5 FFBDLO CC(C)[N@H+](Cc1nnnn1-c1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350187 507791551 /nfs/dbraw/zinc/79/15/51/507791551.db2.gz CSRHLVJBUBTVTC-UHFFFAOYSA-N 1 2 352.398 2.981 20 5 FFBDLO CC(C)[N@@H+](Cc1nnnn1-c1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350187 507791554 /nfs/dbraw/zinc/79/15/54/507791554.db2.gz CSRHLVJBUBTVTC-UHFFFAOYSA-N 1 2 352.398 2.981 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)S[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000072768750 507851611 /nfs/dbraw/zinc/85/16/11/507851611.db2.gz YLJUUZAXOKVMSM-TUAOUCFPSA-N 1 2 353.444 2.756 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)S[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000072768750 507851613 /nfs/dbraw/zinc/85/16/13/507851613.db2.gz YLJUUZAXOKVMSM-TUAOUCFPSA-N 1 2 353.444 2.756 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCS[C@@H](C(C)C)C1 ZINC000072836789 507860785 /nfs/dbraw/zinc/86/07/85/507860785.db2.gz LGEVSOPLMYKIFD-OAHLLOKOSA-N 1 2 353.444 2.615 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCS[C@@H](C(C)C)C1 ZINC000072836789 507860786 /nfs/dbraw/zinc/86/07/86/507860786.db2.gz LGEVSOPLMYKIFD-OAHLLOKOSA-N 1 2 353.444 2.615 20 5 FFBDLO Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c(C[NH+](C)C)c1 ZINC000073314370 507913595 /nfs/dbraw/zinc/91/35/95/507913595.db2.gz HBLZMRFJIHEYFE-UHFFFAOYSA-N 1 2 355.441 2.827 20 5 FFBDLO COc1ccc([C@H](CNc2cc(C)c([N+](=O)[O-])cn2)[NH+]2CCOCC2)cc1 ZINC000074725713 508049892 /nfs/dbraw/zinc/04/98/92/508049892.db2.gz UMHRJUATAPSOGC-SFHVURJKSA-N 1 2 372.425 2.792 20 5 FFBDLO COc1c(C)c[nH+]c(CN(C)C(=O)NCCc2ccccc2[N+](=O)[O-])c1C ZINC000074764496 508053166 /nfs/dbraw/zinc/05/31/66/508053166.db2.gz JVIFSYYVECSFDF-UHFFFAOYSA-N 1 2 372.425 2.999 20 5 FFBDLO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075551450 508116009 /nfs/dbraw/zinc/11/60/09/508116009.db2.gz DQEKLXILTWZWKQ-CYBMUJFWSA-N 1 2 366.381 2.523 20 5 FFBDLO COc1ccc(-c2ccc(C[N@@H+]3CCNC(=O)C3(C)C)o2)c([N+](=O)[O-])c1 ZINC000093084621 508120374 /nfs/dbraw/zinc/12/03/74/508120374.db2.gz JIVIGYWGJMMWOX-UHFFFAOYSA-N 1 2 359.382 2.574 20 5 FFBDLO COc1ccc(-c2ccc(C[N@H+]3CCNC(=O)C3(C)C)o2)c([N+](=O)[O-])c1 ZINC000093084621 508120377 /nfs/dbraw/zinc/12/03/77/508120377.db2.gz JIVIGYWGJMMWOX-UHFFFAOYSA-N 1 2 359.382 2.574 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1C[NH+]1CCOCC1 ZINC000075890499 508141449 /nfs/dbraw/zinc/14/14/49/508141449.db2.gz RVUJLTUVDUEBSB-SFHVURJKSA-N 1 2 363.458 2.679 20 5 FFBDLO CC[C@@H]1C[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CCN1CC(F)F ZINC000093767123 508154725 /nfs/dbraw/zinc/15/47/25/508154725.db2.gz IFHQMPYYZVGMTA-CYBMUJFWSA-N 1 2 373.400 2.773 20 5 FFBDLO CC[C@@H]1C[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CCN1CC(F)F ZINC000093767123 508154726 /nfs/dbraw/zinc/15/47/26/508154726.db2.gz IFHQMPYYZVGMTA-CYBMUJFWSA-N 1 2 373.400 2.773 20 5 FFBDLO CCc1nn(C)c(N2CC[NH+](Cc3cccc(Cl)c3)CC2)c1[N+](=O)[O-] ZINC000094132030 508170301 /nfs/dbraw/zinc/17/03/01/508170301.db2.gz FGNNOTNPIGEROB-UHFFFAOYSA-N 1 2 363.849 2.866 20 5 FFBDLO Cc1cc([N+](=O)[O-])cnc1NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000076665074 508239387 /nfs/dbraw/zinc/23/93/87/508239387.db2.gz CKMOQKPFCRJCOF-UHFFFAOYSA-N 1 2 369.425 2.813 20 5 FFBDLO Cc1[nH+]c2cc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)ccc2n1C ZINC000083577620 508249246 /nfs/dbraw/zinc/24/92/46/508249246.db2.gz UBHMLBBLUIRDGU-UHFFFAOYSA-N 1 2 360.395 2.899 20 5 FFBDLO Cc1[nH+]c2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C)ccc2n1C ZINC000083577602 508249320 /nfs/dbraw/zinc/24/93/20/508249320.db2.gz FWVNZLXZEFADRI-UHFFFAOYSA-N 1 2 360.395 2.899 20 5 FFBDLO CC(C)N1CC[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1=O ZINC000114775397 508346965 /nfs/dbraw/zinc/34/69/65/508346965.db2.gz FQXZCAXVCSAXPK-OAHLLOKOSA-N 1 2 360.439 2.817 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000088606995 508378717 /nfs/dbraw/zinc/37/87/17/508378717.db2.gz VMVZUBPEUHZGKN-CYBMUJFWSA-N 1 2 355.394 2.989 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000088606995 508378719 /nfs/dbraw/zinc/37/87/19/508378719.db2.gz VMVZUBPEUHZGKN-CYBMUJFWSA-N 1 2 355.394 2.989 20 5 FFBDLO O=C(C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N1CCc2ccccc2C1 ZINC000088607318 508378896 /nfs/dbraw/zinc/37/88/96/508378896.db2.gz CUXSGDVOXSCODX-UHFFFAOYSA-N 1 2 351.406 2.538 20 5 FFBDLO O=C(C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N1CCc2ccccc2C1 ZINC000088607318 508378898 /nfs/dbraw/zinc/37/88/98/508378898.db2.gz CUXSGDVOXSCODX-UHFFFAOYSA-N 1 2 351.406 2.538 20 5 FFBDLO Cc1csc2nc(C[N@@H+]3CCc4ccc([N+](=O)[O-])cc4C3)cc(=O)n12 ZINC000088605851 508379178 /nfs/dbraw/zinc/37/91/78/508379178.db2.gz ZGSKMWLRCOZWEF-UHFFFAOYSA-N 1 2 356.407 2.531 20 5 FFBDLO Cc1csc2nc(C[N@H+]3CCc4ccc([N+](=O)[O-])cc4C3)cc(=O)n12 ZINC000088605851 508379179 /nfs/dbraw/zinc/37/91/79/508379179.db2.gz ZGSKMWLRCOZWEF-UHFFFAOYSA-N 1 2 356.407 2.531 20 5 FFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000115414969 508392065 /nfs/dbraw/zinc/39/20/65/508392065.db2.gz ZAGSLCCOJMXDKA-OAHLLOKOSA-N 1 2 364.352 2.609 20 5 FFBDLO Cc1cccc2[nH+]c(CS(=O)(=O)Cc3cccc([N+](=O)[O-])c3C)cn21 ZINC000106301903 508399051 /nfs/dbraw/zinc/39/90/51/508399051.db2.gz AKCKDBPLBFVZSW-UHFFFAOYSA-N 1 2 359.407 2.974 20 5 FFBDLO CC1(C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H]2CCCO[C@@H]21 ZINC000369405695 512395910 /nfs/dbraw/zinc/39/59/10/512395910.db2.gz DCCUTMHLOFHHSZ-XKQJLSEDSA-N 1 2 370.409 2.714 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000152628650 508481911 /nfs/dbraw/zinc/48/19/11/508481911.db2.gz KYVZRPIIHKUFEW-CJNGLKHVSA-N 1 2 373.413 2.593 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000152628847 508482293 /nfs/dbraw/zinc/48/22/93/508482293.db2.gz KYVZRPIIHKUFEW-CZUORRHYSA-N 1 2 373.413 2.593 20 5 FFBDLO O=C(NCc1ccco1)[C@@H]1CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000128156761 508555550 /nfs/dbraw/zinc/55/55/50/508555550.db2.gz CCVKMLVLCNXQFB-JGIVAVPZSA-N 1 2 355.394 2.982 20 5 FFBDLO O=C(NCc1ccco1)[C@@H]1CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000128156761 508555553 /nfs/dbraw/zinc/55/55/53/508555553.db2.gz CCVKMLVLCNXQFB-JGIVAVPZSA-N 1 2 355.394 2.982 20 5 FFBDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000157592231 508584760 /nfs/dbraw/zinc/58/47/60/508584760.db2.gz AGXPIAZDQHEYPD-CQSZACIVSA-N 1 2 363.849 2.824 20 5 FFBDLO C[C@H](c1ccccc1Cl)N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000157592231 508584763 /nfs/dbraw/zinc/58/47/63/508584763.db2.gz AGXPIAZDQHEYPD-CQSZACIVSA-N 1 2 363.849 2.824 20 5 FFBDLO O=C(NCc1cn2ccccc2[nH+]1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000153755046 508642095 /nfs/dbraw/zinc/64/20/95/508642095.db2.gz UETFRTKEXKTNJF-UHFFFAOYSA-N 1 2 351.366 2.510 20 5 FFBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](Oc3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000154073958 508711742 /nfs/dbraw/zinc/71/17/42/508711742.db2.gz WNVPWLPUKDIDCY-HOCLYGCPSA-N 1 2 370.409 2.779 20 5 FFBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H](Oc3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000154073958 508711744 /nfs/dbraw/zinc/71/17/44/508711744.db2.gz WNVPWLPUKDIDCY-HOCLYGCPSA-N 1 2 370.409 2.779 20 5 FFBDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000124272717 508808023 /nfs/dbraw/zinc/80/80/23/508808023.db2.gz SVNBYBWLRUVULU-UHFFFAOYSA-N 1 2 358.304 2.989 20 5 FFBDLO CN(CCCn1cc[nH+]c1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000154783171 508855175 /nfs/dbraw/zinc/85/51/75/508855175.db2.gz LFYCDKDXKARSDU-UHFFFAOYSA-N 1 2 371.441 2.556 20 5 FFBDLO COc1cc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC000154795663 508857221 /nfs/dbraw/zinc/85/72/21/508857221.db2.gz IGUVJWPBCPWEHZ-UHFFFAOYSA-N 1 2 371.393 2.688 20 5 FFBDLO Cc1cc(C(=O)Nc2ccccc2C[NH+]2CCOCC2)cc([N+](=O)[O-])c1 ZINC000148215097 508862447 /nfs/dbraw/zinc/86/24/47/508862447.db2.gz UQFKCMAVNCCZTG-UHFFFAOYSA-N 1 2 355.394 2.988 20 5 FFBDLO O=C(CSc1ccccc1[N+](=O)[O-])N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120895095 509085002 /nfs/dbraw/zinc/08/50/02/509085002.db2.gz RSFFMKSXIFLUHT-CQSZACIVSA-N 1 2 359.407 2.762 20 5 FFBDLO Cn1ncc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1C(F)(F)F ZINC000132939906 509094521 /nfs/dbraw/zinc/09/45/21/509094521.db2.gz WANOEVKVIJGYIR-UHFFFAOYSA-N 1 2 369.347 2.669 20 5 FFBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161449095 509116525 /nfs/dbraw/zinc/11/65/25/509116525.db2.gz IXHSDOPLKWKGJD-ZIAGYGMSSA-N 1 2 372.450 2.866 20 5 FFBDLO Cc1n[nH]cc1C[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000161568002 509130447 /nfs/dbraw/zinc/13/04/47/509130447.db2.gz RZDFZBNTIIJEBN-UHFFFAOYSA-N 1 2 369.347 2.967 20 5 FFBDLO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121126737 509133474 /nfs/dbraw/zinc/13/34/74/509133474.db2.gz UOIHDCLWBFEUOK-CQSZACIVSA-N 1 2 352.350 2.765 20 5 FFBDLO CC(C)Cn1cc[nH+]c1CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000182412950 509225509 /nfs/dbraw/zinc/22/55/09/509225509.db2.gz QITKIVVITIMLFN-UHFFFAOYSA-N 1 2 372.834 2.579 20 5 FFBDLO O=C1Nc2ccccc2CC[C@H]1[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000191927570 509248781 /nfs/dbraw/zinc/24/87/81/509248781.db2.gz CJWDBHLAYATOKW-LJQANCHMSA-N 1 2 366.421 2.670 20 5 FFBDLO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[NH+]1CCCCCC1 ZINC000175993649 509261671 /nfs/dbraw/zinc/26/16/71/509261671.db2.gz LNDGEPXVXFHQKR-GFCCVEGCSA-N 1 2 358.402 2.583 20 5 FFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000179155741 509293034 /nfs/dbraw/zinc/29/30/34/509293034.db2.gz FRQGDGRKWNNWIT-UHFFFAOYSA-N 1 2 367.471 2.547 20 5 FFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000179155741 509293035 /nfs/dbraw/zinc/29/30/35/509293035.db2.gz FRQGDGRKWNNWIT-UHFFFAOYSA-N 1 2 367.471 2.547 20 5 FFBDLO CCc1cc(N(C)[C@@H](C)C[S@@](C)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000248450798 509327360 /nfs/dbraw/zinc/32/73/60/509327360.db2.gz FTOQQUSLWYUCJB-UOXLDJKESA-N 1 2 362.455 2.817 20 5 FFBDLO CCc1cnc(CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC000173027327 509355953 /nfs/dbraw/zinc/35/59/53/509355953.db2.gz RXIVBVIZKFOZTA-UHFFFAOYSA-N 1 2 371.422 2.772 20 5 FFBDLO CSc1cccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000185955761 509446985 /nfs/dbraw/zinc/44/69/85/509446985.db2.gz CKPMZCAPXAKKLG-UHFFFAOYSA-N 1 2 358.423 2.674 20 5 FFBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000192362523 509483300 /nfs/dbraw/zinc/48/33/00/509483300.db2.gz UYMDWNFUTMTYFI-UHFFFAOYSA-N 1 2 359.430 2.976 20 5 FFBDLO COC(=O)c1ccccc1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000179589780 509526859 /nfs/dbraw/zinc/52/68/59/509526859.db2.gz BYYQILVMHSYHHF-UHFFFAOYSA-N 1 2 355.394 2.704 20 5 FFBDLO NC(=O)c1coc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000189396350 509554501 /nfs/dbraw/zinc/55/45/01/509554501.db2.gz HRYUHAWXZPYNEO-UHFFFAOYSA-N 1 2 358.379 2.700 20 5 FFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000189419785 509567520 /nfs/dbraw/zinc/56/75/20/509567520.db2.gz IJGOOJNBJIWZID-UHFFFAOYSA-N 1 2 373.840 2.965 20 5 FFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000189419785 509567524 /nfs/dbraw/zinc/56/75/24/509567524.db2.gz IJGOOJNBJIWZID-UHFFFAOYSA-N 1 2 373.840 2.965 20 5 FFBDLO CC(=O)N1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000179810124 509631665 /nfs/dbraw/zinc/63/16/65/509631665.db2.gz SMVOEQLQDYEZIX-UHFFFAOYSA-N 1 2 360.439 2.773 20 5 FFBDLO CC(=O)N1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000179810124 509631669 /nfs/dbraw/zinc/63/16/69/509631669.db2.gz SMVOEQLQDYEZIX-UHFFFAOYSA-N 1 2 360.439 2.773 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000183250524 509679812 /nfs/dbraw/zinc/67/98/12/509679812.db2.gz WNLPSXXSEJFSNT-UHFFFAOYSA-N 1 2 368.437 2.660 20 5 FFBDLO COC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000173689055 509722731 /nfs/dbraw/zinc/72/27/31/509722731.db2.gz NOXSRNCYIADHBF-AWEZNQCLSA-N 1 2 370.365 2.799 20 5 FFBDLO C[C@@H](NC(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1cccs1 ZINC000192987822 509725746 /nfs/dbraw/zinc/72/57/46/509725746.db2.gz JVHGQHYVCRGBAA-CQSZACIVSA-N 1 2 374.466 2.656 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c([N+](=O)[O-])c1 ZINC000249684479 509734451 /nfs/dbraw/zinc/73/44/51/509734451.db2.gz KLXQCKMRKOYYJG-CHWSQXEVSA-N 1 2 373.413 2.533 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c([N+](=O)[O-])c1 ZINC000249684479 509734452 /nfs/dbraw/zinc/73/44/52/509734452.db2.gz KLXQCKMRKOYYJG-CHWSQXEVSA-N 1 2 373.413 2.533 20 5 FFBDLO CC(C)CO[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000268288485 509853221 /nfs/dbraw/zinc/85/32/21/509853221.db2.gz UHSXWZWKYKGANV-HNNXBMFYSA-N 1 2 358.398 2.668 20 5 FFBDLO CC(C)OCC[NH+]1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000189980429 509866035 /nfs/dbraw/zinc/86/60/35/509866035.db2.gz LIKWOPMGFPQHFA-UHFFFAOYSA-N 1 2 363.458 2.901 20 5 FFBDLO C[C@@H]1C[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1c1ccccc1 ZINC000245421227 509920397 /nfs/dbraw/zinc/92/03/97/509920397.db2.gz HVGGYGGATQNMIJ-CWTRNNRKSA-N 1 2 369.377 2.955 20 5 FFBDLO C[C@@H]1C[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1c1ccccc1 ZINC000245421227 509920402 /nfs/dbraw/zinc/92/04/02/509920402.db2.gz HVGGYGGATQNMIJ-CWTRNNRKSA-N 1 2 369.377 2.955 20 5 FFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000193458705 509922479 /nfs/dbraw/zinc/92/24/79/509922479.db2.gz DTAMMTLKPUYKIR-UHFFFAOYSA-N 1 2 355.398 2.614 20 5 FFBDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)[nH]1 ZINC000268484169 509961328 /nfs/dbraw/zinc/96/13/28/509961328.db2.gz ONVYRMQONXAACW-TZMCWYRMSA-N 1 2 372.429 2.536 20 5 FFBDLO Cc1nnc([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)[nH]1 ZINC000268484169 509961341 /nfs/dbraw/zinc/96/13/41/509961341.db2.gz ONVYRMQONXAACW-TZMCWYRMSA-N 1 2 372.429 2.536 20 5 FFBDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000268484169 509961351 /nfs/dbraw/zinc/96/13/51/509961351.db2.gz ONVYRMQONXAACW-TZMCWYRMSA-N 1 2 372.429 2.536 20 5 FFBDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000268484169 509961357 /nfs/dbraw/zinc/96/13/57/509961357.db2.gz ONVYRMQONXAACW-TZMCWYRMSA-N 1 2 372.429 2.536 20 5 FFBDLO Cc1nc(Nc2ccc([NH+]3CCC(C(N)=O)CC3)cc2)ccc1[N+](=O)[O-] ZINC000268489014 509965244 /nfs/dbraw/zinc/96/52/44/509965244.db2.gz NCRGCGSCXJUDHI-UHFFFAOYSA-N 1 2 355.398 2.744 20 5 FFBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000265296796 509973228 /nfs/dbraw/zinc/97/32/28/509973228.db2.gz OXVZEZYSEPQBME-CYBMUJFWSA-N 1 2 358.373 2.648 20 5 FFBDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193672629 510014112 /nfs/dbraw/zinc/01/41/12/510014112.db2.gz FJUSERORHGWZSG-GFCCVEGCSA-N 1 2 366.374 2.602 20 5 FFBDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193672629 510014118 /nfs/dbraw/zinc/01/41/18/510014118.db2.gz FJUSERORHGWZSG-GFCCVEGCSA-N 1 2 366.374 2.602 20 5 FFBDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180653763 510036737 /nfs/dbraw/zinc/03/67/37/510036737.db2.gz ZSWQJBRLFYVYLP-UHFFFAOYSA-N 1 2 353.382 2.655 20 5 FFBDLO COc1ccc([C@H](CO)[N@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])cc1 ZINC000184215180 510196695 /nfs/dbraw/zinc/19/66/95/510196695.db2.gz JZZPCZVYPCMKOP-KRWDZBQOSA-N 1 2 364.373 2.917 20 5 FFBDLO COc1ccc([C@H](CO)[N@@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])cc1 ZINC000184215180 510196705 /nfs/dbraw/zinc/19/67/05/510196705.db2.gz JZZPCZVYPCMKOP-KRWDZBQOSA-N 1 2 364.373 2.917 20 5 FFBDLO Cc1cc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)nc(C2CC2)[nH+]1 ZINC000265826512 510250308 /nfs/dbraw/zinc/25/03/08/510250308.db2.gz JMHQTFVYONRGOO-UHFFFAOYSA-N 1 2 367.409 2.533 20 5 FFBDLO Nc1cccc([N+](=O)[O-])c1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000181053827 510258852 /nfs/dbraw/zinc/25/88/52/510258852.db2.gz JRDKFUULPIXYOK-UHFFFAOYSA-N 1 2 369.425 2.882 20 5 FFBDLO CCOC[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000246134269 510313985 /nfs/dbraw/zinc/31/39/85/510313985.db2.gz FNLVNNLJUGGPHN-VXGBXAGGSA-N 1 2 355.822 2.934 20 5 FFBDLO CCOC[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000246134269 510313991 /nfs/dbraw/zinc/31/39/91/510313991.db2.gz FNLVNNLJUGGPHN-VXGBXAGGSA-N 1 2 355.822 2.934 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000171736933 510339385 /nfs/dbraw/zinc/33/93/85/510339385.db2.gz KMBQDWRSIMLXQI-UHFFFAOYSA-N 1 2 369.381 2.559 20 5 FFBDLO COC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000184518343 510367962 /nfs/dbraw/zinc/36/79/62/510367962.db2.gz RQPQDAFZMAVVMZ-CYBMUJFWSA-N 1 2 353.762 2.757 20 5 FFBDLO Cc1cc2[nH+]cn(CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)c2cc1C ZINC000194643934 510460989 /nfs/dbraw/zinc/46/09/89/510460989.db2.gz MEBQAPWEMNAINM-UHFFFAOYSA-N 1 2 368.349 2.929 20 5 FFBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000246695148 510621296 /nfs/dbraw/zinc/62/12/96/510621296.db2.gz NAMUXYBUAZHHKZ-RTBURBONSA-N 1 2 373.453 2.729 20 5 FFBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000246695148 510621303 /nfs/dbraw/zinc/62/13/03/510621303.db2.gz NAMUXYBUAZHHKZ-RTBURBONSA-N 1 2 373.453 2.729 20 5 FFBDLO C[C@@H]([NH2+][C@H](C)c1nc(C(C)(C)C)no1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000185193374 510740145 /nfs/dbraw/zinc/74/01/45/510740145.db2.gz YSUNKXRWUDLDAI-GHMZBOCLSA-N 1 2 361.402 2.953 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1cccc(F)c1 ZINC000175847268 510820494 /nfs/dbraw/zinc/82/04/94/510820494.db2.gz JCDYMBFLAGJJDW-MRXNPFEDSA-N 1 2 369.356 2.569 20 5 FFBDLO Cn1cc(C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c(-c2cccnc2)n1 ZINC000297527970 510980629 /nfs/dbraw/zinc/98/06/29/510980629.db2.gz ZAFQGBGAEFOPKM-UHFFFAOYSA-N 1 2 365.393 2.654 20 5 FFBDLO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282813656 511121012 /nfs/dbraw/zinc/12/10/12/511121012.db2.gz OYVINDCPUYRFAE-CYBMUJFWSA-N 1 2 369.425 2.730 20 5 FFBDLO CC[C@H](c1ccncc1)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000271426288 511200761 /nfs/dbraw/zinc/20/07/61/511200761.db2.gz SHBFDMSNJUKGSD-CQSZACIVSA-N 1 2 372.381 2.740 20 5 FFBDLO CC[C@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000271426288 511200765 /nfs/dbraw/zinc/20/07/65/511200765.db2.gz SHBFDMSNJUKGSD-CQSZACIVSA-N 1 2 372.381 2.740 20 5 FFBDLO CC(C)c1ccc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000291527011 511232424 /nfs/dbraw/zinc/23/24/24/511232424.db2.gz VRNKQXCFBJKORY-RHSMWYFYSA-N 1 2 361.442 2.653 20 5 FFBDLO CCC(=O)N1CCC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000363085535 511343665 /nfs/dbraw/zinc/34/36/65/511343665.db2.gz XQPDJYGTBIKDRF-CYBMUJFWSA-N 1 2 373.413 2.650 20 5 FFBDLO CCC(=O)N1CCC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000363085535 511343671 /nfs/dbraw/zinc/34/36/71/511343671.db2.gz XQPDJYGTBIKDRF-CYBMUJFWSA-N 1 2 373.413 2.650 20 5 FFBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000280420856 511458646 /nfs/dbraw/zinc/45/86/46/511458646.db2.gz AMDBLLXCWDKRJG-HNNXBMFYSA-N 1 2 371.397 2.504 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365663038 511588818 /nfs/dbraw/zinc/58/88/18/511588818.db2.gz LTGSURVWTLKBHS-GFCCVEGCSA-N 1 2 359.386 2.748 20 5 FFBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000363621003 511661971 /nfs/dbraw/zinc/66/19/71/511661971.db2.gz QZURYNRNXLJGBG-UHFFFAOYSA-N 1 2 369.425 2.674 20 5 FFBDLO C[N@@H+]1CC[C@@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000284360806 511696973 /nfs/dbraw/zinc/69/69/73/511696973.db2.gz SVBKZABFYABFFC-APWZRJJASA-N 1 2 354.410 2.568 20 5 FFBDLO C[N@H+]1CC[C@@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000284360806 511696978 /nfs/dbraw/zinc/69/69/78/511696978.db2.gz SVBKZABFYABFFC-APWZRJJASA-N 1 2 354.410 2.568 20 5 FFBDLO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1cccc(O)c1[N+](=O)[O-] ZINC000281078757 511712902 /nfs/dbraw/zinc/71/29/02/511712902.db2.gz CJQNOEWVMGCBDG-MRXNPFEDSA-N 1 2 355.394 2.867 20 5 FFBDLO C[C@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000296606685 511817022 /nfs/dbraw/zinc/81/70/22/511817022.db2.gz DZICIQIXLNBCEV-AWEZNQCLSA-N 1 2 355.398 2.583 20 5 FFBDLO CCc1cc(NCC2([S@@](C)=O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000281834408 511983614 /nfs/dbraw/zinc/98/36/14/511983614.db2.gz XZKONBAMXVXYKD-RUZDIDTESA-N 1 2 360.439 2.937 20 5 FFBDLO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000364232242 512033297 /nfs/dbraw/zinc/03/32/97/512033297.db2.gz XATILSQODVOSAC-QGZVFWFLSA-N 1 2 372.816 2.956 20 5 FFBDLO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000364232242 512033303 /nfs/dbraw/zinc/03/33/03/512033303.db2.gz XATILSQODVOSAC-QGZVFWFLSA-N 1 2 372.816 2.956 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000375786363 512504768 /nfs/dbraw/zinc/50/47/68/512504768.db2.gz CGAXRTSYAKUCQH-INIZCTEOSA-N 1 2 359.382 2.898 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCOC[C@H]1c1ccco1 ZINC000375786363 512504772 /nfs/dbraw/zinc/50/47/72/512504772.db2.gz CGAXRTSYAKUCQH-INIZCTEOSA-N 1 2 359.382 2.898 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000373941734 512583236 /nfs/dbraw/zinc/58/32/36/512583236.db2.gz ARHNSTFMXGMLBA-UHFFFAOYSA-N 1 2 358.398 2.801 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000373941734 512583239 /nfs/dbraw/zinc/58/32/39/512583239.db2.gz ARHNSTFMXGMLBA-UHFFFAOYSA-N 1 2 358.398 2.801 20 5 FFBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)CCOc1cc(C)ccc1[N+](=O)[O-])CCC2 ZINC000374013498 512622229 /nfs/dbraw/zinc/62/22/29/512622229.db2.gz ZMFQNCRFFHLEBI-HNNXBMFYSA-N 1 2 372.425 2.871 20 5 FFBDLO COc1ccc(NC(=O)C[NH+]2CCC(c3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000378258733 512661679 /nfs/dbraw/zinc/66/16/79/512661679.db2.gz HENUIIZINRCHOL-UHFFFAOYSA-N 1 2 370.409 2.817 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000374367369 512794527 /nfs/dbraw/zinc/79/45/27/512794527.db2.gz SMOYIVXNIFLHMK-CQSZACIVSA-N 1 2 357.414 2.537 20 5 FFBDLO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368090629 512798242 /nfs/dbraw/zinc/79/82/42/512798242.db2.gz BNEQEUGUOBPZEX-MRVPVSSYSA-N 1 2 367.312 2.598 20 5 FFBDLO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368090629 512798247 /nfs/dbraw/zinc/79/82/47/512798247.db2.gz BNEQEUGUOBPZEX-MRVPVSSYSA-N 1 2 367.312 2.598 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411920259 512875814 /nfs/dbraw/zinc/87/58/14/512875814.db2.gz CDBMBQQHXOCJRH-FUHWJXTLSA-N 1 2 355.394 2.650 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411920259 512875819 /nfs/dbraw/zinc/87/58/19/512875819.db2.gz CDBMBQQHXOCJRH-FUHWJXTLSA-N 1 2 355.394 2.650 20 5 FFBDLO C[C@H](O)c1cn(C2C[NH+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2)nn1 ZINC000374805046 513011865 /nfs/dbraw/zinc/01/18/65/513011865.db2.gz GHDRRXFRNQLUGX-LBPRGKRZSA-N 1 2 369.381 2.557 20 5 FFBDLO CCN1CCN(c2nccc3cc([N+](=O)[O-])ccc32)C[C@H]1c1[nH]cc[nH+]1 ZINC000450493697 513220124 /nfs/dbraw/zinc/22/01/24/513220124.db2.gz FTXHKKKPRIQXMD-INIZCTEOSA-N 1 2 352.398 2.749 20 5 FFBDLO CCN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000446481474 513269234 /nfs/dbraw/zinc/26/92/34/513269234.db2.gz HZDBIIJXPKRMHV-HNNXBMFYSA-N 1 2 358.402 2.537 20 5 FFBDLO C[C@@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)Cc2ccccc2O1 ZINC000429158914 513294551 /nfs/dbraw/zinc/29/45/51/513294551.db2.gz KWOLSCRVPMBVRN-CQSZACIVSA-N 1 2 367.405 2.767 20 5 FFBDLO C[C@@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)Cc2ccccc2O1 ZINC000429158914 513294555 /nfs/dbraw/zinc/29/45/55/513294555.db2.gz KWOLSCRVPMBVRN-CQSZACIVSA-N 1 2 367.405 2.767 20 5 FFBDLO C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCO[C@H]1C1CC1 ZINC000450685569 513303512 /nfs/dbraw/zinc/30/35/12/513303512.db2.gz TZYBLOSLOPHOOL-PKOBYXMFSA-N 1 2 370.409 2.716 20 5 FFBDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000429261826 513319277 /nfs/dbraw/zinc/31/92/77/513319277.db2.gz GVKKHBLIIRDWJM-CQSZACIVSA-N 1 2 372.400 2.883 20 5 FFBDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000429261826 513319283 /nfs/dbraw/zinc/31/92/83/513319283.db2.gz GVKKHBLIIRDWJM-CQSZACIVSA-N 1 2 372.400 2.883 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@@H](OCC2CC2)C1 ZINC000450774030 513335171 /nfs/dbraw/zinc/33/51/71/513335171.db2.gz BZOZHCCHESFTAF-MRXNPFEDSA-N 1 2 370.409 2.812 20 5 FFBDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000440641661 513368618 /nfs/dbraw/zinc/36/86/18/513368618.db2.gz WQKOKJZQAAKZAS-INIZCTEOSA-N 1 2 370.837 2.543 20 5 FFBDLO CCCc1ncc(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])o1 ZINC000450853651 513370618 /nfs/dbraw/zinc/37/06/18/513370618.db2.gz FKHDAXMYAPWNNP-UHFFFAOYSA-N 1 2 360.414 2.980 20 5 FFBDLO O=[N+]([O-])c1ccc2ccnc(NCc3ccc[nH+]c3N3CCOCC3)c2c1 ZINC000413036660 513399311 /nfs/dbraw/zinc/39/93/11/513399311.db2.gz DWPZDRALTWVZBL-UHFFFAOYSA-N 1 2 365.393 2.987 20 5 FFBDLO O=[N+]([O-])c1ccc(NCc2cc[nH+]c(N3CCOCC3)c2)c2cccnc21 ZINC000413052048 513408931 /nfs/dbraw/zinc/40/89/31/513408931.db2.gz XSJMNMYIXOTMPM-UHFFFAOYSA-N 1 2 365.393 2.987 20 5 FFBDLO CCc1cc(N)nc(SCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[nH+]1 ZINC000447787364 513568829 /nfs/dbraw/zinc/56/88/29/513568829.db2.gz MXYBMYKKSICJFB-UHFFFAOYSA-N 1 2 358.383 2.702 20 5 FFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(CS(C)(=O)=O)CC1 ZINC000430151295 513571636 /nfs/dbraw/zinc/57/16/36/513571636.db2.gz RKZILFRFASLGCX-UVTDQMKNSA-N 1 2 352.456 2.755 20 5 FFBDLO Cc1c[nH+]ccc1CCNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000447810432 513577075 /nfs/dbraw/zinc/57/70/75/513577075.db2.gz IVDJAARREYPEHF-UHFFFAOYSA-N 1 2 356.426 2.785 20 5 FFBDLO CN(Cc1ccc(O)cc1)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447816331 513579291 /nfs/dbraw/zinc/57/92/91/513579291.db2.gz KAPFJKINSQJDIO-UHFFFAOYSA-N 1 2 357.410 2.769 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000430210766 513587496 /nfs/dbraw/zinc/58/74/96/513587496.db2.gz FMRHYBZVQWVDOS-UHFFFAOYSA-N 1 2 357.414 2.526 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1CN1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000430208840 513588934 /nfs/dbraw/zinc/58/89/34/513588934.db2.gz PRWKUHICWWLMRV-UHFFFAOYSA-N 1 2 360.414 2.526 20 5 FFBDLO C[C@H]1OCC[C@]12C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@@H](C)O2 ZINC000448360862 513743922 /nfs/dbraw/zinc/74/39/22/513743922.db2.gz UVXOYBSRHQORFI-QFSBIZTOSA-N 1 2 372.368 2.965 20 5 FFBDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@@H](C)O2 ZINC000448360862 513743927 /nfs/dbraw/zinc/74/39/27/513743927.db2.gz UVXOYBSRHQORFI-QFSBIZTOSA-N 1 2 372.368 2.965 20 5 FFBDLO CC(C)CN1C[C@@H]2C[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000425960947 513808375 /nfs/dbraw/zinc/80/83/75/513808375.db2.gz ZKLCVYHEESAYBS-UABRLCRWSA-N 1 2 358.442 2.686 20 5 FFBDLO CC(C)CN1C[C@@H]2C[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000425960947 513808379 /nfs/dbraw/zinc/80/83/79/513808379.db2.gz ZKLCVYHEESAYBS-UABRLCRWSA-N 1 2 358.442 2.686 20 5 FFBDLO C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546026 513824409 /nfs/dbraw/zinc/82/44/09/513824409.db2.gz IPJWCTNIMQPNFI-AAEUAGOBSA-N 1 2 359.348 2.841 20 5 FFBDLO C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546026 513824420 /nfs/dbraw/zinc/82/44/20/513824420.db2.gz IPJWCTNIMQPNFI-AAEUAGOBSA-N 1 2 359.348 2.841 20 5 FFBDLO O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CC[NH+](C2CCCC2)CC1 ZINC000448660323 513834466 /nfs/dbraw/zinc/83/44/66/513834466.db2.gz XZPUTJMIGZLSNA-UHFFFAOYSA-N 1 2 369.425 2.685 20 5 FFBDLO C[N@H+](Cc1nc2ccccc2o1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000431594295 513937949 /nfs/dbraw/zinc/93/79/49/513937949.db2.gz FKCHQIWSUYRLIT-INIZCTEOSA-N 1 2 366.377 2.973 20 5 FFBDLO C[N@@H+](Cc1nc2ccccc2o1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000431594295 513937957 /nfs/dbraw/zinc/93/79/57/513937957.db2.gz FKCHQIWSUYRLIT-INIZCTEOSA-N 1 2 366.377 2.973 20 5 FFBDLO C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@@H+]1Cc1ccccc1 ZINC000436748822 513966958 /nfs/dbraw/zinc/96/69/58/513966958.db2.gz HMFSDDWQJCCOQK-GUYCJALGSA-N 1 2 355.394 2.693 20 5 FFBDLO C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@H+]1Cc1ccccc1 ZINC000436748822 513966964 /nfs/dbraw/zinc/96/69/64/513966964.db2.gz HMFSDDWQJCCOQK-GUYCJALGSA-N 1 2 355.394 2.693 20 5 FFBDLO COc1cccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)c1[N+](=O)[O-] ZINC000443915155 514069301 /nfs/dbraw/zinc/06/93/01/514069301.db2.gz LCHMVKGQWCZMON-UHFFFAOYSA-N 1 2 361.423 2.623 20 5 FFBDLO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000451948146 514087184 /nfs/dbraw/zinc/08/71/84/514087184.db2.gz SUMRRSHIFVDMSU-PELKAZGASA-N 1 2 370.818 2.737 20 5 FFBDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444111653 514126437 /nfs/dbraw/zinc/12/64/37/514126437.db2.gz UVBZCNXIUXRFHH-UHFFFAOYSA-N 1 2 368.343 2.921 20 5 FFBDLO Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)ccc1C[NH+](C)C ZINC000414466813 514135845 /nfs/dbraw/zinc/13/58/45/514135845.db2.gz XEHXNEFENCQGLP-UHFFFAOYSA-N 1 2 367.402 2.905 20 5 FFBDLO Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n(-c2cc[nH+]cc2)n1 ZINC000437325050 514140375 /nfs/dbraw/zinc/14/03/75/514140375.db2.gz NTSSDYGVIFQZDP-UHFFFAOYSA-N 1 2 373.394 2.593 20 5 FFBDLO CC(C)Oc1cc(-c2nc([C@H]3C[N@@H+](C4CC4)CCO3)no2)ccc1[N+](=O)[O-] ZINC000420502485 514175638 /nfs/dbraw/zinc/17/56/38/514175638.db2.gz JXAFXBGTSZXRHO-MRXNPFEDSA-N 1 2 374.397 2.968 20 5 FFBDLO CC(C)Oc1cc(-c2nc([C@H]3C[N@H+](C4CC4)CCO3)no2)ccc1[N+](=O)[O-] ZINC000420502485 514175642 /nfs/dbraw/zinc/17/56/42/514175642.db2.gz JXAFXBGTSZXRHO-MRXNPFEDSA-N 1 2 374.397 2.968 20 5 FFBDLO COC(=O)c1n[nH]c2c1C[N@H+](CC(C)=Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000449565563 514256839 /nfs/dbraw/zinc/25/68/39/514256839.db2.gz KCJZXFQKNGBDFC-XYOKQWHBSA-N 1 2 356.382 2.566 20 5 FFBDLO COC(=O)c1n[nH]c2c1C[N@@H+](CC(C)=Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000449565563 514256844 /nfs/dbraw/zinc/25/68/44/514256844.db2.gz KCJZXFQKNGBDFC-XYOKQWHBSA-N 1 2 356.382 2.566 20 5 FFBDLO NC(=O)c1ccc(C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C2CC2)cc1 ZINC000444590483 514266965 /nfs/dbraw/zinc/26/69/65/514266965.db2.gz CHZOFRHSFSSIHF-UHFFFAOYSA-N 1 2 365.393 2.735 20 5 FFBDLO NC(=O)c1ccc(C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C2CC2)cc1 ZINC000444590483 514266974 /nfs/dbraw/zinc/26/69/74/514266974.db2.gz CHZOFRHSFSSIHF-UHFFFAOYSA-N 1 2 365.393 2.735 20 5 FFBDLO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(-n2cc[nH+]c2)c1 ZINC000444634111 514279848 /nfs/dbraw/zinc/27/98/48/514279848.db2.gz XNJHUOUKQNFQMB-UHFFFAOYSA-N 1 2 362.349 2.587 20 5 FFBDLO CC[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](CC)CN1C(C)=O ZINC000444653294 514284943 /nfs/dbraw/zinc/28/49/43/514284943.db2.gz VNLKULVGHCEHQZ-UONOGXRCSA-N 1 2 359.430 2.692 20 5 FFBDLO CC[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](CC)CN1C(C)=O ZINC000444653294 514284946 /nfs/dbraw/zinc/28/49/46/514284946.db2.gz VNLKULVGHCEHQZ-UONOGXRCSA-N 1 2 359.430 2.692 20 5 FFBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCn2cc[nH+]c2C1 ZINC000428354444 514454535 /nfs/dbraw/zinc/45/45/35/514454535.db2.gz YWIWDGAMONZENA-NSHDSACASA-N 1 2 366.830 2.668 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000445545481 514491822 /nfs/dbraw/zinc/49/18/22/514491822.db2.gz ZXKUZSCADVUGQU-UHFFFAOYSA-N 1 2 357.391 2.814 20 5 FFBDLO CC(C)OC(=O)[C@@H]([NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(C)C ZINC000453315597 514599753 /nfs/dbraw/zinc/59/97/53/514599753.db2.gz GRMCQKPCJANZKS-DYVFJYSZSA-N 1 2 365.430 2.878 20 5 FFBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCO[C@@H](COc3ccccc3)C2)cc1 ZINC000484570114 514696158 /nfs/dbraw/zinc/69/61/58/514696158.db2.gz KWLJTHDOYHDSGU-LJQANCHMSA-N 1 2 358.394 2.753 20 5 FFBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCO[C@@H](COc3ccccc3)C2)cc1 ZINC000484570114 514696166 /nfs/dbraw/zinc/69/61/66/514696166.db2.gz KWLJTHDOYHDSGU-LJQANCHMSA-N 1 2 358.394 2.753 20 5 FFBDLO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000470962830 514696683 /nfs/dbraw/zinc/69/66/83/514696683.db2.gz YJDLRVRYLICZFT-GXFFZTMASA-N 1 2 357.332 2.757 20 5 FFBDLO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000470962830 514696685 /nfs/dbraw/zinc/69/66/85/514696685.db2.gz YJDLRVRYLICZFT-GXFFZTMASA-N 1 2 357.332 2.757 20 5 FFBDLO COc1ccccc1/C=C\C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000453579746 514699349 /nfs/dbraw/zinc/69/93/49/514699349.db2.gz SCEMYWCTRBCJQT-ALCCZGGFSA-N 1 2 354.410 2.834 20 5 FFBDLO COc1cccc(Cl)c1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000453583990 514703362 /nfs/dbraw/zinc/70/33/62/514703362.db2.gz YZNKDZFJKVITEC-UHFFFAOYSA-N 1 2 362.817 2.974 20 5 FFBDLO COc1ccc(NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000489120149 514718241 /nfs/dbraw/zinc/71/82/41/514718241.db2.gz ABUDJJSBAVGTDY-TZMCWYRMSA-N 1 2 356.382 2.709 20 5 FFBDLO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000471207062 514798639 /nfs/dbraw/zinc/79/86/39/514798639.db2.gz IPEVLTORIBMCEO-OAHLLOKOSA-N 1 2 368.455 2.863 20 5 FFBDLO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000471207062 514798641 /nfs/dbraw/zinc/79/86/41/514798641.db2.gz IPEVLTORIBMCEO-OAHLLOKOSA-N 1 2 368.455 2.863 20 5 FFBDLO COC(=O)C[C@](C)([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccccn1 ZINC000509141251 515043086 /nfs/dbraw/zinc/04/30/86/515043086.db2.gz UJJQGPZVASHTPP-SFHVURJKSA-N 1 2 359.382 2.567 20 5 FFBDLO Cc1[nH+]c2ccccc2c(NC(=O)c2cc([N+](=O)[O-])nn2C)c1C(C)C ZINC000485671510 515136852 /nfs/dbraw/zinc/13/68/52/515136852.db2.gz SMHAKUNBMOJNTM-UHFFFAOYSA-N 1 2 353.382 2.983 20 5 FFBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)NCC(=O)c1cccs1 ZINC000490207075 515140417 /nfs/dbraw/zinc/14/04/17/515140417.db2.gz YACNLCCWLDLMJB-UHFFFAOYSA-N 1 2 373.434 2.620 20 5 FFBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)NCC(=O)c1cccs1 ZINC000490207075 515140426 /nfs/dbraw/zinc/14/04/26/515140426.db2.gz YACNLCCWLDLMJB-UHFFFAOYSA-N 1 2 373.434 2.620 20 5 FFBDLO O=C([C@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1)N1CCCC1 ZINC000509684648 515288827 /nfs/dbraw/zinc/28/88/27/515288827.db2.gz MBOVFJPTJJJJMM-LBPRGKRZSA-N 1 2 353.369 2.707 20 5 FFBDLO O=C([C@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1)N1CCCC1 ZINC000509684648 515288836 /nfs/dbraw/zinc/28/88/36/515288836.db2.gz MBOVFJPTJJJJMM-LBPRGKRZSA-N 1 2 353.369 2.707 20 5 FFBDLO Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)[nH+]cn3C)cc1[N+](=O)[O-] ZINC000493104535 515597849 /nfs/dbraw/zinc/59/78/49/515597849.db2.gz JFNUVAZZAXEBFE-UHFFFAOYSA-N 1 2 360.395 2.899 20 5 FFBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])nn2C)c[nH+]c1N1CCCC[C@@H]1C ZINC000477926281 515640839 /nfs/dbraw/zinc/64/08/39/515640839.db2.gz GWDKQZRYXYRLSP-LBPRGKRZSA-N 1 2 358.402 2.663 20 5 FFBDLO CCN1CC[NH+]([C@H](C)CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000486934833 515690500 /nfs/dbraw/zinc/69/05/00/515690500.db2.gz KFVZZYOTYQHCII-GFCCVEGCSA-N 1 2 358.389 2.634 20 5 FFBDLO C[NH+](C)Cc1csc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)n1 ZINC000457283167 515778699 /nfs/dbraw/zinc/77/86/99/515778699.db2.gz CPESWDBCCXWIPY-UHFFFAOYSA-N 1 2 352.441 2.844 20 5 FFBDLO C[C@@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000473884370 515789575 /nfs/dbraw/zinc/78/95/75/515789575.db2.gz HUUSKUBWPUIMFV-RYUDHWBXSA-N 1 2 366.805 2.665 20 5 FFBDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)C2 ZINC000474285712 515972664 /nfs/dbraw/zinc/97/26/64/515972664.db2.gz PAXUGPARIAAPKA-ZDUSSCGKSA-N 1 2 371.441 2.775 20 5 FFBDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)CC2 ZINC000474285712 515972668 /nfs/dbraw/zinc/97/26/68/515972668.db2.gz PAXUGPARIAAPKA-ZDUSSCGKSA-N 1 2 371.441 2.775 20 5 FFBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1ccn(-c3ccc(F)cc3)n1)CC2 ZINC000495470508 516174987 /nfs/dbraw/zinc/17/49/87/516174987.db2.gz OYAMPBJXBPFBLA-UHFFFAOYSA-N 1 2 353.357 2.873 20 5 FFBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1ccn(-c3ccc(F)cc3)n1)CC2 ZINC000495470508 516174997 /nfs/dbraw/zinc/17/49/97/516174997.db2.gz OYAMPBJXBPFBLA-UHFFFAOYSA-N 1 2 353.357 2.873 20 5 FFBDLO Cc1ccc(C[S@](=O)CCC(=O)Nc2ccccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000507691848 516283955 /nfs/dbraw/zinc/28/39/55/516283955.db2.gz FXYIBKMECHWILW-RUZDIDTESA-N 1 2 361.423 2.884 20 5 FFBDLO CC(=O)c1cc(NCc2ccc(N3CCOCC3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000550733923 516402907 /nfs/dbraw/zinc/40/29/07/516402907.db2.gz GWOFEWBDVCATBF-UHFFFAOYSA-N 1 2 356.382 2.641 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)c1c(F)cncc1F ZINC000513268402 516549089 /nfs/dbraw/zinc/54/90/89/516549089.db2.gz VXSFUBKWSXMHAA-JTQLQIEISA-N 1 2 350.325 2.866 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000531634961 516566310 /nfs/dbraw/zinc/56/63/10/516566310.db2.gz ARJJHCZRWNHQII-OAHLLOKOSA-N 1 2 371.784 2.896 20 5 FFBDLO CCc1nn(C)cc1CN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000513712228 516728029 /nfs/dbraw/zinc/72/80/29/516728029.db2.gz AXXRJPUMDNTRHV-KRWDZBQOSA-N 1 2 354.414 2.503 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000555080584 516771962 /nfs/dbraw/zinc/77/19/62/516771962.db2.gz KQVYKPBGUDEEFG-UHFFFAOYSA-N 1 2 354.366 2.880 20 5 FFBDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)O1 ZINC000558740394 516923854 /nfs/dbraw/zinc/92/38/54/516923854.db2.gz IEEAFBPZFRLHBL-KCXZSRPNSA-N 1 2 368.817 2.932 20 5 FFBDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)O1 ZINC000558740394 516923859 /nfs/dbraw/zinc/92/38/59/516923859.db2.gz IEEAFBPZFRLHBL-KCXZSRPNSA-N 1 2 368.817 2.932 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCNC(=O)[C@H]1Cc1ccccc1 ZINC000555591513 516998052 /nfs/dbraw/zinc/99/80/52/516998052.db2.gz ZVFZCZLPSINKIZ-GOSISDBHSA-N 1 2 369.421 2.537 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCNC(=O)[C@H]1Cc1ccccc1 ZINC000555591513 516998064 /nfs/dbraw/zinc/99/80/64/516998064.db2.gz ZVFZCZLPSINKIZ-GOSISDBHSA-N 1 2 369.421 2.537 20 5 FFBDLO CC(C)[C@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCCO1 ZINC000559001887 517037085 /nfs/dbraw/zinc/03/70/85/517037085.db2.gz QSLKYUMCOZIIBF-LJQANCHMSA-N 1 2 363.458 2.678 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](NCc1cccc2c1OCO2)c1ccc([N+](=O)[O-])cc1 ZINC000552033180 517041857 /nfs/dbraw/zinc/04/18/57/517041857.db2.gz PKQQDFMPUAXATI-KRWDZBQOSA-N 1 2 366.377 2.936 20 5 FFBDLO CN(C)c1[nH]c2ccc(NC(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)cc2[nH+]1 ZINC000559054763 517060698 /nfs/dbraw/zinc/06/06/98/517060698.db2.gz VRLKKZGSQVNOSA-UHFFFAOYSA-N 1 2 369.337 2.518 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccccn2)c([N+](=O)[O-])c1 ZINC000532650180 517081528 /nfs/dbraw/zinc/08/15/28/517081528.db2.gz JGTNHOPTOCQDMJ-INIZCTEOSA-N 1 2 356.382 2.774 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccccn2)c([N+](=O)[O-])c1 ZINC000532650180 517081538 /nfs/dbraw/zinc/08/15/38/517081538.db2.gz JGTNHOPTOCQDMJ-INIZCTEOSA-N 1 2 356.382 2.774 20 5 FFBDLO C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000537699414 517300971 /nfs/dbraw/zinc/30/09/71/517300971.db2.gz PNGIURSWSJBHKI-QAPCUYQASA-N 1 2 371.437 2.944 20 5 FFBDLO C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000537699414 517300980 /nfs/dbraw/zinc/30/09/80/517300980.db2.gz PNGIURSWSJBHKI-QAPCUYQASA-N 1 2 371.437 2.944 20 5 FFBDLO Cc1[nH+]c2ccccc2n1Cc1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000545777973 517363048 /nfs/dbraw/zinc/36/30/48/517363048.db2.gz URKSQAOSHRFLDM-UHFFFAOYSA-N 1 2 350.338 2.670 20 5 FFBDLO O=C(C[N@@H+]1CCC[C@@H]1c1ccccn1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000533347630 517421804 /nfs/dbraw/zinc/42/18/04/517421804.db2.gz FXJZVTYCUKNFDD-QGZVFWFLSA-N 1 2 352.394 2.716 20 5 FFBDLO O=C(C[N@H+]1CCC[C@@H]1c1ccccn1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000533347630 517421816 /nfs/dbraw/zinc/42/18/16/517421816.db2.gz FXJZVTYCUKNFDD-QGZVFWFLSA-N 1 2 352.394 2.716 20 5 FFBDLO Cc1cc(NCCNc2ccccc2[N+](=O)[O-])nc(-c2ccncc2)[nH+]1 ZINC000520566743 517437967 /nfs/dbraw/zinc/43/79/67/517437967.db2.gz HMJXVHJLUKSQFN-UHFFFAOYSA-N 1 2 350.382 2.701 20 5 FFBDLO O=C(c1ccc(F)cc1)N1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000549336982 517518218 /nfs/dbraw/zinc/51/82/18/517518218.db2.gz FILCFIVMQDIVAX-UHFFFAOYSA-N 1 2 373.384 2.788 20 5 FFBDLO O=C(c1ccc(F)cc1)N1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000549336982 517518221 /nfs/dbraw/zinc/51/82/21/517518221.db2.gz FILCFIVMQDIVAX-UHFFFAOYSA-N 1 2 373.384 2.788 20 5 FFBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1c[nH]c3cc([N+](=O)[O-])ccc13)CCC2 ZINC000533559572 517525160 /nfs/dbraw/zinc/52/51/60/517525160.db2.gz SCWZYAWYQOTWJF-LBPRGKRZSA-N 1 2 353.382 2.888 20 5 FFBDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000538272474 517534368 /nfs/dbraw/zinc/53/43/68/517534368.db2.gz BREWKGDEIRDZOJ-ZDUSSCGKSA-N 1 2 358.373 2.648 20 5 FFBDLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC000549527538 517601374 /nfs/dbraw/zinc/60/13/74/517601374.db2.gz QOTWSSGZADLUBU-UHFFFAOYSA-N 1 2 354.410 2.510 20 5 FFBDLO C[C@H]([NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccon1 ZINC000542648029 517669228 /nfs/dbraw/zinc/66/92/28/517669228.db2.gz CFPGMQYDLJPOJY-JTQLQIEISA-N 1 2 373.394 2.996 20 5 FFBDLO Cc1cc(N2CCO[C@H](COC(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000546732176 517824380 /nfs/dbraw/zinc/82/43/80/517824380.db2.gz QXTIXDLZXOVDIY-KRWDZBQOSA-N 1 2 372.425 2.990 20 5 FFBDLO CC(C)c1csc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000516761747 517830938 /nfs/dbraw/zinc/83/09/38/517830938.db2.gz MRNRBORQRYLKEK-UHFFFAOYSA-N 1 2 369.468 2.738 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2c2cccnc2)cc1 ZINC000553889284 517953345 /nfs/dbraw/zinc/95/33/45/517953345.db2.gz RNCSPAYXEKKPEE-QGZVFWFLSA-N 1 2 361.423 2.601 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2c2cccnc2)cc1 ZINC000553889284 517953353 /nfs/dbraw/zinc/95/33/53/517953353.db2.gz RNCSPAYXEKKPEE-QGZVFWFLSA-N 1 2 361.423 2.601 20 5 FFBDLO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C[NH+]1CCN(C)CC1)c1ccccc1 ZINC000522027875 517958055 /nfs/dbraw/zinc/95/80/55/517958055.db2.gz JNUPXUKFKPDORD-QGZVFWFLSA-N 1 2 372.473 2.520 20 5 FFBDLO CCOc1ccc(-c2nc([C@@H]3C[N@@H+](C4CC4)CCO3)no2)cc1[N+](=O)[O-] ZINC000547206723 518021875 /nfs/dbraw/zinc/02/18/75/518021875.db2.gz WVLDLGVTHRFLBL-HNNXBMFYSA-N 1 2 360.370 2.579 20 5 FFBDLO CCOc1ccc(-c2nc([C@@H]3C[N@H+](C4CC4)CCO3)no2)cc1[N+](=O)[O-] ZINC000547206723 518021886 /nfs/dbraw/zinc/02/18/86/518021886.db2.gz WVLDLGVTHRFLBL-HNNXBMFYSA-N 1 2 360.370 2.579 20 5 FFBDLO CCn1c2ccccc2nc1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000535072329 518145849 /nfs/dbraw/zinc/14/58/49/518145849.db2.gz ISBLZLXFZQSYEQ-UHFFFAOYSA-N 1 2 366.425 2.682 20 5 FFBDLO C[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535129362 518155788 /nfs/dbraw/zinc/15/57/88/518155788.db2.gz KEXIDSFYNRAGCH-DZGCQCFKSA-N 1 2 366.780 2.891 20 5 FFBDLO C[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535129362 518155789 /nfs/dbraw/zinc/15/57/89/518155789.db2.gz KEXIDSFYNRAGCH-DZGCQCFKSA-N 1 2 366.780 2.891 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(CCCn3cc[nH+]c3)CC2)n1 ZINC000581301860 518219341 /nfs/dbraw/zinc/21/93/41/518219341.db2.gz IXLULQVARQKURO-UHFFFAOYSA-N 1 2 373.413 2.670 20 5 FFBDLO Cc1c[nH]c(C(C)(C)NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)[nH+]1 ZINC000566920029 518266258 /nfs/dbraw/zinc/26/62/58/518266258.db2.gz CBWNXSRSFUBRAC-UHFFFAOYSA-N 1 2 354.313 2.893 20 5 FFBDLO Cc1[nH+]c2ccccc2n1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000575856638 518313116 /nfs/dbraw/zinc/31/31/16/518313116.db2.gz OOWFTCMFHAXAJJ-UHFFFAOYSA-N 1 2 374.422 2.540 20 5 FFBDLO O=C(NCC1CC[NH+](CC(F)F)CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000581504381 518318453 /nfs/dbraw/zinc/31/84/53/518318453.db2.gz BIUDPBWETWMPGI-UHFFFAOYSA-N 1 2 361.776 2.955 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000564917980 518693797 /nfs/dbraw/zinc/69/37/97/518693797.db2.gz AXAQIIXPSPYNKY-HFAKWTLXSA-N 1 2 353.806 2.686 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000564917980 518693804 /nfs/dbraw/zinc/69/38/04/518693804.db2.gz AXAQIIXPSPYNKY-HFAKWTLXSA-N 1 2 353.806 2.686 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]CCC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000568101884 518874811 /nfs/dbraw/zinc/87/48/11/518874811.db2.gz CDBWLQYQUQATQP-INIZCTEOSA-N 1 2 360.414 2.739 20 5 FFBDLO CN(C(=O)C[N@@H+]1CCC=C(c2ccccn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000579912421 518911630 /nfs/dbraw/zinc/91/16/30/518911630.db2.gz PRTOMUFVRQHAEP-UHFFFAOYSA-N 1 2 352.394 2.742 20 5 FFBDLO CN(C(=O)C[N@H+]1CCC=C(c2ccccn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000579912421 518911640 /nfs/dbraw/zinc/91/16/40/518911640.db2.gz PRTOMUFVRQHAEP-UHFFFAOYSA-N 1 2 352.394 2.742 20 5 FFBDLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000580079337 518998415 /nfs/dbraw/zinc/99/84/15/518998415.db2.gz YTYAFDBCHNQRIF-CVEARBPZSA-N 1 2 354.410 2.760 20 5 FFBDLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000580079338 518998623 /nfs/dbraw/zinc/99/86/23/518998623.db2.gz YTYAFDBCHNQRIF-HOTGVXAUSA-N 1 2 354.410 2.760 20 5 FFBDLO Cc1cn2cc(NC(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)ccc2[nH+]1 ZINC000582994050 519023500 /nfs/dbraw/zinc/02/35/00/519023500.db2.gz IGJXFNNWQNCAMN-UHFFFAOYSA-N 1 2 367.365 2.977 20 5 FFBDLO CC(C)Oc1nc(N2CC[NH+](Cc3cccc(O)c3)CC2)ccc1[N+](=O)[O-] ZINC000583273419 519162906 /nfs/dbraw/zinc/16/29/06/519162906.db2.gz QOANUXHEDLBVTA-UHFFFAOYSA-N 1 2 372.425 2.805 20 5 FFBDLO C[C@@]1(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCCC[C@@H]1O ZINC000574480990 519174648 /nfs/dbraw/zinc/17/46/48/519174648.db2.gz IQLXYCLLNRDYPW-OALUTQOASA-N 1 2 363.458 2.780 20 5 FFBDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@@H+]2Cc2c(Cl)cccc2[N+](=O)[O-])O1 ZINC000580468510 519192417 /nfs/dbraw/zinc/19/24/17/519192417.db2.gz OOYBMYQSTKQENQ-KCXZSRPNSA-N 1 2 368.817 2.932 20 5 FFBDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@H+]2Cc2c(Cl)cccc2[N+](=O)[O-])O1 ZINC000580468510 519192421 /nfs/dbraw/zinc/19/24/21/519192421.db2.gz OOYBMYQSTKQENQ-KCXZSRPNSA-N 1 2 368.817 2.932 20 5 FFBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000571649229 519201988 /nfs/dbraw/zinc/20/19/88/519201988.db2.gz NABBPDUNEMMFEV-SECBINFHSA-N 1 2 352.778 2.790 20 5 FFBDLO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000574541677 519208166 /nfs/dbraw/zinc/20/81/66/519208166.db2.gz QUSQBBHROVCGAX-UHFFFAOYSA-N 1 2 361.373 2.644 20 5 FFBDLO CCc1nnc(CN[C@@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)s1 ZINC000580744475 519334214 /nfs/dbraw/zinc/33/42/14/519334214.db2.gz VEOMJVBDGHQHQQ-OAHLLOKOSA-N 1 2 358.427 2.621 20 5 FFBDLO COC(=O)[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000591028094 519484905 /nfs/dbraw/zinc/48/49/05/519484905.db2.gz UEISJDGZYMYMSC-KRWDZBQOSA-N 1 2 363.414 2.635 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H](OC2CCC2)C1 ZINC000594390679 519935175 /nfs/dbraw/zinc/93/51/75/519935175.db2.gz WOXTVGYHQMBBAH-MRXNPFEDSA-N 1 2 370.409 2.954 20 5 FFBDLO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000597297689 519941964 /nfs/dbraw/zinc/94/19/64/519941964.db2.gz VHQJMZHGXOYNSD-SJKOYZFVSA-N 1 2 358.423 2.697 20 5 FFBDLO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000597297689 519941972 /nfs/dbraw/zinc/94/19/72/519941972.db2.gz VHQJMZHGXOYNSD-SJKOYZFVSA-N 1 2 358.423 2.697 20 5 FFBDLO O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000597297690 519942011 /nfs/dbraw/zinc/94/20/11/519942011.db2.gz VHQJMZHGXOYNSD-YVEFUNNKSA-N 1 2 358.423 2.697 20 5 FFBDLO O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000597297690 519942018 /nfs/dbraw/zinc/94/20/18/519942018.db2.gz VHQJMZHGXOYNSD-YVEFUNNKSA-N 1 2 358.423 2.697 20 5 FFBDLO CCn1nc(C)c(C[N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1C ZINC000602926502 519975661 /nfs/dbraw/zinc/97/56/61/519975661.db2.gz RUMHLNIZZAWABP-UHFFFAOYSA-N 1 2 359.430 2.807 20 5 FFBDLO CCn1nc(C)c(C[N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1C ZINC000602926502 519975665 /nfs/dbraw/zinc/97/56/65/519975665.db2.gz RUMHLNIZZAWABP-UHFFFAOYSA-N 1 2 359.430 2.807 20 5 FFBDLO O=C(Nc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000612556313 520019930 /nfs/dbraw/zinc/01/99/30/520019930.db2.gz IGBIMMHPGMGFMA-UHFFFAOYSA-N 1 2 371.393 2.509 20 5 FFBDLO O=C(CN1CCC[C@@H](n2cc[nH+]c2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000609157396 520213885 /nfs/dbraw/zinc/21/38/85/520213885.db2.gz IUJAGZLZYXYMKG-CYBMUJFWSA-N 1 2 363.805 2.720 20 5 FFBDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1nnc2n1CCCCC2 ZINC000613062742 520297917 /nfs/dbraw/zinc/29/79/17/520297917.db2.gz XXSXGSUGHQTNBE-OLZOCXBDSA-N 1 2 372.429 2.591 20 5 FFBDLO Cc1nccc([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000603834468 520370508 /nfs/dbraw/zinc/37/05/08/520370508.db2.gz VSKJVNQENALEKM-HIFRSBDPSA-N 1 2 369.425 2.900 20 5 FFBDLO Cc1nccc([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000603834468 520370512 /nfs/dbraw/zinc/37/05/12/520370512.db2.gz VSKJVNQENALEKM-HIFRSBDPSA-N 1 2 369.425 2.900 20 5 FFBDLO Cc1ccc(NC(=O)C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1C ZINC000603882534 520391057 /nfs/dbraw/zinc/39/10/57/520391057.db2.gz DYPOEJKHGMTASY-UHFFFAOYSA-N 1 2 368.437 2.972 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000603902961 520398557 /nfs/dbraw/zinc/39/85/57/520398557.db2.gz WBJMUOBIWAQFNK-AWEZNQCLSA-N 1 2 355.398 2.511 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000603902961 520398565 /nfs/dbraw/zinc/39/85/65/520398565.db2.gz WBJMUOBIWAQFNK-AWEZNQCLSA-N 1 2 355.398 2.511 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000609675993 520403141 /nfs/dbraw/zinc/40/31/41/520403141.db2.gz JYZIUQKPEXAMHJ-UHFFFAOYSA-N 1 2 372.406 2.567 20 5 FFBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)NCc1ccc[nH+]c1N1CCCC1 ZINC000595468765 520491286 /nfs/dbraw/zinc/49/12/86/520491286.db2.gz LLWWDWPTQRCPOH-UHFFFAOYSA-N 1 2 369.425 2.632 20 5 FFBDLO Cc1cn2cc(NS(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)ccc2[nH+]1 ZINC000610032116 520512263 /nfs/dbraw/zinc/51/22/63/520512263.db2.gz CDMKTGDWGXQNEN-UHFFFAOYSA-N 1 2 360.395 2.969 20 5 FFBDLO CC(C)c1ccnc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)n1 ZINC000613498607 520529156 /nfs/dbraw/zinc/52/91/56/520529156.db2.gz GEHSJBRYXVHQAJ-UHFFFAOYSA-N 1 2 359.405 2.970 20 5 FFBDLO Cc1noc(C[N@H+](Cc2cccc(O)c2)[C@H]2CC[C@H](O)CC2)c1[N+](=O)[O-] ZINC000595552778 520546722 /nfs/dbraw/zinc/54/67/22/520546722.db2.gz QOWZKNPRBGQURW-SHTZXODSSA-N 1 2 361.398 2.903 20 5 FFBDLO Cc1noc(C[N@@H+](Cc2cccc(O)c2)[C@H]2CC[C@H](O)CC2)c1[N+](=O)[O-] ZINC000595552778 520546726 /nfs/dbraw/zinc/54/67/26/520546726.db2.gz QOWZKNPRBGQURW-SHTZXODSSA-N 1 2 361.398 2.903 20 5 FFBDLO CCOC(=O)[C@@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000595554991 520550805 /nfs/dbraw/zinc/55/08/05/520550805.db2.gz VQTUPZQCBGTEFR-BFHYXJOUSA-N 1 2 363.414 2.585 20 5 FFBDLO CCOC(=O)[C@@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000595554991 520550813 /nfs/dbraw/zinc/55/08/13/520550813.db2.gz VQTUPZQCBGTEFR-BFHYXJOUSA-N 1 2 363.414 2.585 20 5 FFBDLO C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000598459224 520628490 /nfs/dbraw/zinc/62/84/90/520628490.db2.gz FUCYOVHVLQLGDM-ZJUUUORDSA-N 1 2 352.778 2.626 20 5 FFBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000598464331 520630001 /nfs/dbraw/zinc/63/00/01/520630001.db2.gz IFBMXYGZHCQGPA-VIFPVBQESA-N 1 2 367.203 2.890 20 5 FFBDLO Cc1[nH+]c2cc(NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)ccc2n1C ZINC000610310596 520631265 /nfs/dbraw/zinc/63/12/65/520631265.db2.gz ILXRMPMEGZBWGX-UHFFFAOYSA-N 1 2 350.338 2.919 20 5 FFBDLO COC(=O)[C@H](c1cccc(OC)c1)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000595677779 520641824 /nfs/dbraw/zinc/64/18/24/520641824.db2.gz JYHGVONHEWJPOT-SFHVURJKSA-N 1 2 358.394 2.992 20 5 FFBDLO COC(=O)[C@H](c1cccc(OC)c1)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000595677779 520641833 /nfs/dbraw/zinc/64/18/33/520641833.db2.gz JYHGVONHEWJPOT-SFHVURJKSA-N 1 2 358.394 2.992 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+]2C[C@@H](C)S[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000610394956 520663349 /nfs/dbraw/zinc/66/33/49/520663349.db2.gz UWBZLHXUHCLFKT-TXEJJXNPSA-N 1 2 353.444 2.758 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000610394956 520663358 /nfs/dbraw/zinc/66/33/58/520663358.db2.gz UWBZLHXUHCLFKT-TXEJJXNPSA-N 1 2 353.444 2.758 20 5 FFBDLO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000601245858 520704561 /nfs/dbraw/zinc/70/45/61/520704561.db2.gz LOILMWQJYVUVOY-UHFFFAOYSA-N 1 2 356.382 2.650 20 5 FFBDLO O=[N+]([O-])c1cnn(CC[NH+]2CCN(c3cc(Cl)ccc3Cl)CC2)c1 ZINC000593051766 520709588 /nfs/dbraw/zinc/70/95/88/520709588.db2.gz CUJVZEPQCMXXIN-UHFFFAOYSA-N 1 2 370.240 2.920 20 5 FFBDLO CCn1c(CCNc2nccc(C(=O)OC)c2[N+](=O)[O-])[nH+]c2ccccc21 ZINC000598594234 520732275 /nfs/dbraw/zinc/73/22/75/520732275.db2.gz ZZQJCCDMWDXHKE-UHFFFAOYSA-N 1 2 369.381 2.801 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000595836675 520758415 /nfs/dbraw/zinc/75/84/15/520758415.db2.gz YAHVSJJVIIESSR-UTUOFQBUSA-N 1 2 353.806 2.544 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000595836675 520758422 /nfs/dbraw/zinc/75/84/22/520758422.db2.gz YAHVSJJVIIESSR-UTUOFQBUSA-N 1 2 353.806 2.544 20 5 FFBDLO CCOc1ccc(N2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)nn1 ZINC000595891774 520798876 /nfs/dbraw/zinc/79/88/76/520798876.db2.gz OGBQKUGNJDSGHG-AWEZNQCLSA-N 1 2 357.414 2.667 20 5 FFBDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000610729485 520818230 /nfs/dbraw/zinc/81/82/30/520818230.db2.gz COINHYXMBCFGRZ-HNNXBMFYSA-N 1 2 357.414 2.721 20 5 FFBDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000610729485 520818234 /nfs/dbraw/zinc/81/82/34/520818234.db2.gz COINHYXMBCFGRZ-HNNXBMFYSA-N 1 2 357.414 2.721 20 5 FFBDLO C[C@H](C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000601730052 520923592 /nfs/dbraw/zinc/92/35/92/520923592.db2.gz UBNGNTWQACHNNB-HNNXBMFYSA-N 1 2 369.421 2.748 20 5 FFBDLO Cc1c(CNc2cc(N3CCC(C)(O)CC3)nc[nH+]2)cccc1[N+](=O)[O-] ZINC000596207559 520969248 /nfs/dbraw/zinc/96/92/48/520969248.db2.gz KPQUSRLQTVOOKB-UHFFFAOYSA-N 1 2 357.414 2.657 20 5 FFBDLO Cc1c(CNc2cc(N3CCC(C)(O)CC3)[nH+]cn2)cccc1[N+](=O)[O-] ZINC000596207559 520969258 /nfs/dbraw/zinc/96/92/58/520969258.db2.gz KPQUSRLQTVOOKB-UHFFFAOYSA-N 1 2 357.414 2.657 20 5 FFBDLO CC(C)Oc1nc(NCC2CC[NH+](CC(F)F)CC2)ccc1[N+](=O)[O-] ZINC000596239137 520989009 /nfs/dbraw/zinc/98/90/09/520989009.db2.gz OYHWEWCBPQSUKS-UHFFFAOYSA-N 1 2 358.389 2.588 20 5 FFBDLO Cc1cc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)ccc1[N+](=O)[O-] ZINC000601851756 520989144 /nfs/dbraw/zinc/98/91/44/520989144.db2.gz RMIZMNVXPRTEIJ-UHFFFAOYSA-N 1 2 372.450 2.781 20 5 FFBDLO CCOc1cc(NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)ccc1[N+](=O)[O-] ZINC000599183392 521075499 /nfs/dbraw/zinc/07/54/99/521075499.db2.gz LVWKCOOEODFBKH-QGZVFWFLSA-N 1 2 372.425 2.701 20 5 FFBDLO CCOc1cc(NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)ccc1[N+](=O)[O-] ZINC000599183392 521075509 /nfs/dbraw/zinc/07/55/09/521075509.db2.gz LVWKCOOEODFBKH-QGZVFWFLSA-N 1 2 372.425 2.701 20 5 FFBDLO Cc1cc(NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)c(F)cc1[N+](=O)[O-] ZINC000599183904 521077181 /nfs/dbraw/zinc/07/71/81/521077181.db2.gz DMXKJAILGUSGAC-HNNXBMFYSA-N 1 2 360.389 2.750 20 5 FFBDLO Cc1cc(NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)c(F)cc1[N+](=O)[O-] ZINC000599183904 521077186 /nfs/dbraw/zinc/07/71/86/521077186.db2.gz DMXKJAILGUSGAC-HNNXBMFYSA-N 1 2 360.389 2.750 20 5 FFBDLO O=C1N(CCNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@H]2CCCCN12 ZINC000596534295 521120707 /nfs/dbraw/zinc/12/07/07/521120707.db2.gz LTQFVERUUPNNHU-OAHLLOKOSA-N 1 2 355.398 2.845 20 5 FFBDLO C[C@@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)c1ccccc1[N+](=O)[O-] ZINC000611408097 521140892 /nfs/dbraw/zinc/14/08/92/521140892.db2.gz PKCBSHFRCBSIJX-OAHLLOKOSA-N 1 2 369.421 2.918 20 5 FFBDLO CC1(C)C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccncc1 ZINC000596593682 521152237 /nfs/dbraw/zinc/15/22/37/521152237.db2.gz QWSHXWOADGGHJM-LJQANCHMSA-N 1 2 366.421 2.962 20 5 FFBDLO CC1(C)C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccncc1 ZINC000596593682 521152246 /nfs/dbraw/zinc/15/22/46/521152246.db2.gz QWSHXWOADGGHJM-LJQANCHMSA-N 1 2 366.421 2.962 20 5 FFBDLO CCOc1ccc([C@@H](C)Nc2ccc(N(C)CCO)c[nH+]2)cc1[N+](=O)[O-] ZINC000611475615 521176880 /nfs/dbraw/zinc/17/68/80/521176880.db2.gz LIHZQDAJRYZDGZ-CYBMUJFWSA-N 1 2 360.414 2.990 20 5 FFBDLO Cn1cc[nH+]c1C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000611557807 521219189 /nfs/dbraw/zinc/21/91/89/521219189.db2.gz BPYVQRQKMQTYPS-KRWDZBQOSA-N 1 2 366.377 2.748 20 5 FFBDLO C[C@H](O)CNc1[nH+]c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000611748125 521311285 /nfs/dbraw/zinc/31/12/85/521311285.db2.gz YLSMGVURNKIHET-NSHDSACASA-N 1 2 360.801 2.861 20 5 FFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC000599614377 521332445 /nfs/dbraw/zinc/33/24/45/521332445.db2.gz LCFCJCQNPSWCAU-UHFFFAOYSA-N 1 2 367.327 2.834 20 5 FFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC000599614377 521332452 /nfs/dbraw/zinc/33/24/52/521332452.db2.gz LCFCJCQNPSWCAU-UHFFFAOYSA-N 1 2 367.327 2.834 20 5 FFBDLO COC(=O)[C@@](C)(NCc1cn2c(cccc2C)[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000599644881 521354450 /nfs/dbraw/zinc/35/44/50/521354450.db2.gz XMXDWMDOEUSVEO-IBGZPJMESA-N 1 2 368.393 2.729 20 5 FFBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCc3c(O)cccc3C2)cccc1[N+](=O)[O-] ZINC000599647015 521356781 /nfs/dbraw/zinc/35/67/81/521356781.db2.gz OENVAUZJPSFHAA-CYBMUJFWSA-N 1 2 355.394 2.994 20 5 FFBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCc3c(O)cccc3C2)cccc1[N+](=O)[O-] ZINC000599647015 521356788 /nfs/dbraw/zinc/35/67/88/521356788.db2.gz OENVAUZJPSFHAA-CYBMUJFWSA-N 1 2 355.394 2.994 20 5 FFBDLO COc1cccc2c1C[N@H+](CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)C2 ZINC000599645982 521357744 /nfs/dbraw/zinc/35/77/44/521357744.db2.gz REZHZRNEOFSYQB-UHFFFAOYSA-N 1 2 369.377 2.917 20 5 FFBDLO COc1cccc2c1C[N@@H+](CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)C2 ZINC000599645982 521357753 /nfs/dbraw/zinc/35/77/53/521357753.db2.gz REZHZRNEOFSYQB-UHFFFAOYSA-N 1 2 369.377 2.917 20 5 FFBDLO CC(C)C(=O)NCC[N@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602493031 521378631 /nfs/dbraw/zinc/37/86/31/521378631.db2.gz HWYDSXNNKGBRQL-UHFFFAOYSA-N 1 2 364.265 2.623 20 5 FFBDLO CC(C)C(=O)NCC[N@@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602493031 521378636 /nfs/dbraw/zinc/37/86/36/521378636.db2.gz HWYDSXNNKGBRQL-UHFFFAOYSA-N 1 2 364.265 2.623 20 5 FFBDLO COc1ccc(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000611889959 521382331 /nfs/dbraw/zinc/38/23/31/521382331.db2.gz VNBWKBSHCQERFK-UHFFFAOYSA-N 1 2 371.393 2.688 20 5 FFBDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)CC2 ZINC000599696943 521409528 /nfs/dbraw/zinc/40/95/28/521409528.db2.gz MNWDNUMLXKAVDI-HNNXBMFYSA-N 1 2 354.410 2.853 20 5 FFBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3nc(CC4CC4)no3)CC2)cc1 ZINC000602785254 521530484 /nfs/dbraw/zinc/53/04/84/521530484.db2.gz OHCNHLHTLULRAY-UHFFFAOYSA-N 1 2 358.398 2.974 20 5 FFBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN([C@@H]3CCOC3)CC2)o1 ZINC000597203403 521571751 /nfs/dbraw/zinc/57/17/51/521571751.db2.gz PIWPUAUCFMVXBS-OAHLLOKOSA-N 1 2 357.410 2.761 20 5 FFBDLO CN(C)c1cc[nH+]c(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000612347219 521585035 /nfs/dbraw/zinc/58/50/35/521585035.db2.gz VXGJCUWNOJCTOW-UHFFFAOYSA-N 1 2 352.297 2.910 20 5 FFBDLO Cn1cc(C[N@@H+]2CCO[C@](C)(C(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597253143 521597347 /nfs/dbraw/zinc/59/73/47/521597347.db2.gz YHXRFXNHSLOUOZ-KRWDZBQOSA-N 1 2 366.368 2.851 20 5 FFBDLO Cn1cc(C[N@H+]2CCO[C@](C)(C(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597253143 521597350 /nfs/dbraw/zinc/59/73/50/521597350.db2.gz YHXRFXNHSLOUOZ-KRWDZBQOSA-N 1 2 366.368 2.851 20 5 FFBDLO Cc1ccc(C[N@@H+]2CCc3nnc(N4CCCC4)cc3C2)cc1[N+](=O)[O-] ZINC000597266608 521603460 /nfs/dbraw/zinc/60/34/60/521603460.db2.gz XAFVISMUJOZHLA-UHFFFAOYSA-N 1 2 353.426 2.852 20 5 FFBDLO Cc1ccc(C[N@H+]2CCc3nnc(N4CCCC4)cc3C2)cc1[N+](=O)[O-] ZINC000597266608 521603466 /nfs/dbraw/zinc/60/34/66/521603466.db2.gz XAFVISMUJOZHLA-UHFFFAOYSA-N 1 2 353.426 2.852 20 5 FFBDLO O=C(N=c1cc([C@H]2CCCO2)[nH][nH]1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000473847248 561059020 /nfs/dbraw/zinc/05/90/20/561059020.db2.gz CTGPRCWDTGHDJR-OAHLLOKOSA-N 1 2 368.353 2.607 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)c(Cl)c1 ZINC000826498237 608130942 /nfs/dbraw/zinc/13/09/42/608130942.db2.gz MKNLWQDCYCKUQY-UHFFFAOYSA-N 1 2 362.752 2.857 20 5 FFBDLO CC[C@H]1C[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CCS1 ZINC000154772869 728811425 /nfs/dbraw/zinc/81/14/25/728811425.db2.gz UKOZCLXDIAABFV-ZDUSSCGKSA-N 1 2 350.444 2.622 20 5 FFBDLO CC[C@H]1C[N@@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CCS1 ZINC000154772869 728811429 /nfs/dbraw/zinc/81/14/29/728811429.db2.gz UKOZCLXDIAABFV-ZDUSSCGKSA-N 1 2 350.444 2.622 20 5 FFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898494679 735369587 /nfs/dbraw/zinc/36/95/87/735369587.db2.gz FKTFBZSTUKMQOF-GFCCVEGCSA-N 1 2 355.435 2.871 20 5 FFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898494679 735369591 /nfs/dbraw/zinc/36/95/91/735369591.db2.gz FKTFBZSTUKMQOF-GFCCVEGCSA-N 1 2 355.435 2.871 20 5 FFBDLO CC(C)(CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)n1cc[nH+]c1 ZINC000898905828 735422021 /nfs/dbraw/zinc/42/20/21/735422021.db2.gz GKFPSDZFXGKALO-UHFFFAOYSA-N 1 2 354.313 2.558 20 5 FFBDLO CC(C)(CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)n1cc[nH+]c1 ZINC000898909232 735422379 /nfs/dbraw/zinc/42/23/79/735422379.db2.gz LGWBRECGTOPHNO-UHFFFAOYSA-N 1 2 356.304 2.975 20 5 FFBDLO C[C@H]1C[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC[C@H](C(F)(F)F)O1 ZINC000872816450 731836757 /nfs/dbraw/zinc/83/67/57/731836757.db2.gz JBLAFYNDPBMZFM-IINYFYTJSA-N 1 2 358.320 2.944 20 5 FFBDLO C[C@H]1C[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC[C@H](C(F)(F)F)O1 ZINC000872816450 731836761 /nfs/dbraw/zinc/83/67/61/731836761.db2.gz JBLAFYNDPBMZFM-IINYFYTJSA-N 1 2 358.320 2.944 20 5 FFBDLO O=C(C[N@@H+]1CC[C@@H](CF)C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000880297728 732882691 /nfs/dbraw/zinc/88/26/91/732882691.db2.gz 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C[C@@]1(C(F)(F)F)C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001175513647 1013497318 /nfs/dbraw/zinc/49/73/18/1013497318.db2.gz VFSYPAXLKONMCO-AWEZNQCLSA-N 1 2 361.320 2.577 20 5 FFBDLO CN(CCCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1cccc[nH+]1 ZINC001175696809 1013526757 /nfs/dbraw/zinc/52/67/57/1013526757.db2.gz JOKFUMIFXOOCHH-UHFFFAOYSA-N 1 2 369.425 2.820 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC(=O)CC12CCC2 ZINC000891821648 965153793 /nfs/dbraw/zinc/15/37/93/965153793.db2.gz TVQAZVYJDMUJPC-UHFFFAOYSA-N 1 2 354.366 2.508 20 5 FFBDLO Cc1nn(C(C)C)c(C)c1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000894801875 965700238 /nfs/dbraw/zinc/70/02/38/965700238.db2.gz KOYCNUDSLQCLBV-UHFFFAOYSA-N 1 2 358.446 2.706 20 5 FFBDLO COc1c(O)ccc(CN2CC[NH+]([C@@H](C)c3cccnc3)CC2)c1[N+](=O)[O-] ZINC000892044309 965879149 /nfs/dbraw/zinc/87/91/49/965879149.db2.gz HUWOGGKDYALUEL-AWEZNQCLSA-N 1 2 372.425 2.583 20 5 FFBDLO Nc1cc(CNc2ncccc2NC(=O)c2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC001167615799 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COc1ccccc1C[NH+]1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804428393 1003661752 /nfs/dbraw/zinc/66/17/52/1003661752.db2.gz QMOXWCNJJRLWSY-UHFFFAOYSA-N 1 2 372.381 2.834 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001196907335 1004010983 /nfs/dbraw/zinc/01/09/83/1004010983.db2.gz LKZAVCWLLBXSNU-KRWDZBQOSA-N 1 2 361.354 2.509 20 5 FFBDLO CC[C@@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCO[C@H](CC)C1 ZINC001137531561 1004581672 /nfs/dbraw/zinc/58/16/72/1004581672.db2.gz VSMHRIUYIKLTAY-ZBFHGGJFSA-N 1 2 369.849 2.754 20 5 FFBDLO CC[C@@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCO[C@H](CC)C1 ZINC001137531561 1004581677 /nfs/dbraw/zinc/58/16/77/1004581677.db2.gz VSMHRIUYIKLTAY-ZBFHGGJFSA-N 1 2 369.849 2.754 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(OC[C@@H]4CCCO4)CC3)nc2c1 ZINC000776102219 1005124728 /nfs/dbraw/zinc/12/47/28/1005124728.db2.gz NSVXXLVFCDBEDJ-HNNXBMFYSA-N 1 2 360.414 2.631 20 5 FFBDLO 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ZINC001537107270 1070120254 /nfs/dbraw/zinc/12/02/54/1070120254.db2.gz AHCUFJFBXORRDO-UHFFFAOYSA-N 1 2 358.398 2.858 20 5 FFBDLO COc1ccccc1C[NH+]1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254598583 1040830457 /nfs/dbraw/zinc/83/04/57/1040830457.db2.gz IANDOLOZODDKKH-HXUWFJFHSA-N 1 2 367.449 2.888 20 5 FFBDLO COCCO[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001324151296 1045891174 /nfs/dbraw/zinc/89/11/74/1045891174.db2.gz VINJJOAKLUASOR-AWEZNQCLSA-N 1 2 373.247 2.985 20 5 FFBDLO COCCO[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001324151296 1045891187 /nfs/dbraw/zinc/89/11/87/1045891187.db2.gz VINJJOAKLUASOR-AWEZNQCLSA-N 1 2 373.247 2.985 20 5 FFBDLO Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC001303123381 1051278779 /nfs/dbraw/zinc/27/87/79/1051278779.db2.gz YNCAMEZVALURMS-UHFFFAOYSA-N 1 2 354.370 2.745 20 5 FFBDLO CCOC(=O)C[C@H]1CCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001345029164 1052207186 /nfs/dbraw/zinc/20/71/86/1052207186.db2.gz GJRXTEZVQHXRST-GFCCVEGCSA-N 1 2 369.805 2.604 20 5 FFBDLO CCOC(=O)C[C@H]1CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001345029164 1052207196 /nfs/dbraw/zinc/20/71/96/1052207196.db2.gz GJRXTEZVQHXRST-GFCCVEGCSA-N 1 2 369.805 2.604 20 5 FFBDLO CCOC(=O)c1cc([N+](=O)[O-])c(N[C@@H](C)[C@H](C)[NH+]2CCOCC2)cc1C ZINC001306963019 1052228407 /nfs/dbraw/zinc/22/84/07/1052228407.db2.gz XPTWOBNDKQWGGD-KBPBESRZSA-N 1 2 365.430 2.601 20 5 FFBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCc3cc(O)ccc3C2)cccc1[N+](=O)[O-] ZINC001308170427 1052424946 /nfs/dbraw/zinc/42/49/46/1052424946.db2.gz KVRLCYSZVDZMPA-ZDUSSCGKSA-N 1 2 355.394 2.994 20 5 FFBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCc3cc(O)ccc3C2)cccc1[N+](=O)[O-] ZINC001308170427 1052424951 /nfs/dbraw/zinc/42/49/51/1052424951.db2.gz KVRLCYSZVDZMPA-ZDUSSCGKSA-N 1 2 355.394 2.994 20 5 FFBDLO COc1cccc([C@@H]2CN(C(=O)c3cccc(C)c3[N+](=O)[O-])CC[NH2+]2)c1 ZINC001347255253 1053764161 /nfs/dbraw/zinc/76/41/61/1053764161.db2.gz BMCLPYHLQBYRRK-KRWDZBQOSA-N 1 2 355.394 2.699 20 5 FFBDLO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC001337341150 1054671957 /nfs/dbraw/zinc/67/19/57/1054671957.db2.gz NSWBKZGAYAPEIJ-KRWDZBQOSA-N 1 2 358.373 2.562 20 5 FFBDLO COc1cc(C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)cc([N+](=O)[O-])c1C ZINC001544712183 1071681129 /nfs/dbraw/zinc/68/11/29/1071681129.db2.gz HZRJCWQBRAZCIZ-KRWDZBQOSA-N 1 2 355.394 2.828 20 5 FFBDLO COc1cc(C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)cc([N+](=O)[O-])c1C ZINC001544712183 1071681137 /nfs/dbraw/zinc/68/11/37/1071681137.db2.gz HZRJCWQBRAZCIZ-KRWDZBQOSA-N 1 2 355.394 2.828 20 5 FFBDLO CC(C)N(CC[N@H+](C)Cc1ccc(Cl)cc1F)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001507787293 1059718216 /nfs/dbraw/zinc/71/82/16/1059718216.db2.gz JOBZMWIOPVQFOA-GDBMZVCRSA-N 1 2 371.840 2.813 20 5 FFBDLO CC(C)N(CC[N@@H+](C)Cc1ccc(Cl)cc1F)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001507787293 1059718234 /nfs/dbraw/zinc/71/82/34/1059718234.db2.gz JOBZMWIOPVQFOA-GDBMZVCRSA-N 1 2 371.840 2.813 20 5 FFBDLO Cc1cn(C(C)(C)C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)c[nH+]1 ZINC001455302942 1059751789 /nfs/dbraw/zinc/75/17/89/1059751789.db2.gz NBIOFJVODJMPNV-UHFFFAOYSA-N 1 2 354.370 2.864 20 5 FFBDLO Cc1[nH]c([C@@H]2CCCN2C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[nH+]c1C ZINC001455763649 1059903630 /nfs/dbraw/zinc/90/36/30/1059903630.db2.gz NOAKRBLBJYFBSE-AWEZNQCLSA-N 1 2 354.370 2.788 20 5 FFBDLO Cc1noc(C2CC[NH+](Cn3cc(-c4ccccc4[N+](=O)[O-])cn3)CC2)n1 ZINC000848475215 1060093465 /nfs/dbraw/zinc/09/34/65/1060093465.db2.gz MIFOHVRHZGCNSA-UHFFFAOYSA-N 1 2 368.397 2.987 20 5 FFBDLO Cc1cc(NCCNC(=O)c2ccc(F)cc2[N+](=O)[O-])nc(C(C)C)[nH+]1 ZINC000600363843 1060312214 /nfs/dbraw/zinc/31/22/14/1060312214.db2.gz BTLJFDNHYHSCFT-UHFFFAOYSA-N 1 2 361.377 2.798 20 5 FFBDLO CN(C)c1ncccc1N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001457473527 1060391336 /nfs/dbraw/zinc/39/13/36/1060391336.db2.gz QLIHZDLAAYHQEG-UHFFFAOYSA-N 1 2 366.381 2.518 20 5 FFBDLO COc1ccc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC001517274549 1060431056 /nfs/dbraw/zinc/43/10/56/1060431056.db2.gz GKHCYWMIHHFJMX-BLLLJJGKSA-N 1 2 359.386 2.915 20 5 FFBDLO O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccn2cc[nH+]c2c1 ZINC001460688664 1061061187 /nfs/dbraw/zinc/06/11/87/1061061187.db2.gz LZXUIAWQVVOKRT-UHFFFAOYSA-N 1 2 355.310 2.722 20 5 FFBDLO CN1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c2ccccc21 ZINC001530060809 1062481161 /nfs/dbraw/zinc/48/11/61/1062481161.db2.gz FSMYVWOZLYWXFW-UHFFFAOYSA-N 1 2 363.377 2.877 20 5 FFBDLO CCNc1ccc(C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)cc1[N+](=O)[O-] ZINC001532363553 1063045943 /nfs/dbraw/zinc/04/59/43/1063045943.db2.gz JANBKFPICRDERI-SFHVURJKSA-N 1 2 354.410 2.943 20 5 FFBDLO CCNc1ccc(C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)cc1[N+](=O)[O-] ZINC001532363553 1063045960 /nfs/dbraw/zinc/04/59/60/1063045960.db2.gz JANBKFPICRDERI-SFHVURJKSA-N 1 2 354.410 2.943 20 5 FFBDLO O=C1OCC[C@@H]1[NH+]1CCC(Nc2cccc(C(F)(F)F)c2[N+](=O)[O-])CC1 ZINC001472732432 1065136329 /nfs/dbraw/zinc/13/63/29/1065136329.db2.gz BTXXLHPJDNOWQE-ZDUSSCGKSA-N 1 2 373.331 2.805 20 5 FFBDLO O=[N+]([O-])c1ccccc1-c1nnc(C[NH2+][C@H](CCO)c2ccccc2)o1 ZINC001473326759 1065242053 /nfs/dbraw/zinc/24/20/53/1065242053.db2.gz MQCUDGOAICVJHF-OAHLLOKOSA-N 1 2 354.366 2.858 20 5 FFBDLO CCN(CC(F)(F)F)C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001473343572 1065244041 /nfs/dbraw/zinc/24/40/41/1065244041.db2.gz PDUARBZIPKOYKQ-UHFFFAOYSA-N 1 2 359.348 2.970 20 5 FFBDLO CCN(CC(F)(F)F)C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001473343572 1065244052 /nfs/dbraw/zinc/24/40/52/1065244052.db2.gz PDUARBZIPKOYKQ-UHFFFAOYSA-N 1 2 359.348 2.970 20 5 FFBDLO CC(C)OC(=O)[C@@H](C)[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093772867 250046109 /nfs/dbraw/zinc/04/61/09/250046109.db2.gz KRVWVXKORWIDTJ-CYBMUJFWSA-N 1 2 360.414 2.767 20 5 FFBDLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093772867 250046113 /nfs/dbraw/zinc/04/61/13/250046113.db2.gz KRVWVXKORWIDTJ-CYBMUJFWSA-N 1 2 360.414 2.767 20 5 FFBDLO O=C(N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272399381 252030096 /nfs/dbraw/zinc/03/00/96/252030096.db2.gz AHSMQMJIHCOBOJ-LLVKDONJSA-N 1 2 350.325 2.816 20 5 FFBDLO C[C@@H](c1cccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1)[NH+]1CCOCC1 ZINC000272513083 252056426 /nfs/dbraw/zinc/05/64/26/252056426.db2.gz KHEDATDPTRJZQY-ZDUSSCGKSA-N 1 2 371.393 2.946 20 5 FFBDLO CN(C)c1ccc(C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000272561249 252068246 /nfs/dbraw/zinc/06/82/46/252068246.db2.gz TZKLLXOTUUXCAM-SFHVURJKSA-N 1 2 366.425 2.669 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000272566893 252069109 /nfs/dbraw/zinc/06/91/09/252069109.db2.gz VDACORFJHDZNBC-IAGOWNOFSA-N 1 2 372.425 2.693 20 5 FFBDLO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000278816542 256351250 /nfs/dbraw/zinc/35/12/50/256351250.db2.gz ZCAYDYNXONYKBR-CQSZACIVSA-N 1 2 369.385 2.631 20 5 FFBDLO Nc1c(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cccc1[N+](=O)[O-] ZINC000282863408 256796925 /nfs/dbraw/zinc/79/69/25/256796925.db2.gz TZUIXKLJBWLXIY-CYBMUJFWSA-N 1 2 369.425 2.730 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000287066034 257069826 /nfs/dbraw/zinc/06/98/26/257069826.db2.gz HPQZDHHMFFULCA-GJZGRUSLSA-N 1 2 362.430 2.539 20 5 FFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000287171768 257075738 /nfs/dbraw/zinc/07/57/38/257075738.db2.gz ZRYHYJBIJQDXQI-BZNIZROVSA-N 1 2 350.350 2.502 20 5 FFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@](F)(CO)C1 ZINC000287171768 257075739 /nfs/dbraw/zinc/07/57/39/257075739.db2.gz ZRYHYJBIJQDXQI-BZNIZROVSA-N 1 2 350.350 2.502 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000289366871 257277115 /nfs/dbraw/zinc/27/71/15/257277115.db2.gz AYFUFDVHRUUXEN-QWRGUYRKSA-N 1 2 357.357 2.908 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000289366871 257277116 /nfs/dbraw/zinc/27/71/16/257277116.db2.gz AYFUFDVHRUUXEN-QWRGUYRKSA-N 1 2 357.357 2.908 20 5 FFBDLO CN(C(=O)C[NH+]1CCC(F)(c2ccccn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000289038512 257250206 /nfs/dbraw/zinc/25/02/06/257250206.db2.gz BJAJJLDNPQOTKJ-UHFFFAOYSA-N 1 2 372.400 2.913 20 5 FFBDLO Nc1ccc(-c2noc([C@@H]3COCC[N@@H+]3C3CCCC3)n2)cc1[N+](=O)[O-] ZINC000290255344 257322392 /nfs/dbraw/zinc/32/23/92/257322392.db2.gz UKGUXMRLVYJZGZ-HNNXBMFYSA-N 1 2 359.386 2.543 20 5 FFBDLO Nc1ccc(-c2noc([C@@H]3COCC[N@H+]3C3CCCC3)n2)cc1[N+](=O)[O-] ZINC000290255344 257322393 /nfs/dbraw/zinc/32/23/93/257322393.db2.gz UKGUXMRLVYJZGZ-HNNXBMFYSA-N 1 2 359.386 2.543 20 5 FFBDLO Cc1cc(NCCc2nnc3n2CCC3)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301107888 258026212 /nfs/dbraw/zinc/02/62/12/258026212.db2.gz MEQBONSERDVBSC-UHFFFAOYSA-N 1 2 365.397 2.553 20 5 FFBDLO Cc1nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2c([nH+]1)CCCC2 ZINC000302059263 258085438 /nfs/dbraw/zinc/08/54/38/258085438.db2.gz SAMVOPYGMKUIKF-UHFFFAOYSA-N 1 2 353.426 2.899 20 5 FFBDLO C[C@@H]1C[NH+](C[C@H]2CCCN2c2c(F)cc([N+](=O)[O-])cc2F)C[C@@H](C)O1 ZINC000302545044 258105825 /nfs/dbraw/zinc/10/58/25/258105825.db2.gz UMBMEPPEOQEOAL-JHJVBQTASA-N 1 2 355.385 2.951 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)c2ncccc12 ZINC000302608317 258106575 /nfs/dbraw/zinc/10/65/75/258106575.db2.gz AAHFNYJOZPVQEA-KRWDZBQOSA-N 1 2 353.382 2.816 20 5 FFBDLO COc1ccc(C[NH+]2CCN(c3cc(C)c([N+](=O)[O-])cn3)CC2)cc1F ZINC000301423139 258048718 /nfs/dbraw/zinc/04/87/18/258048718.db2.gz JHZBPACWXDXUDH-UHFFFAOYSA-N 1 2 360.389 2.768 20 5 FFBDLO Cc1cc(N(C)C2CCS(=O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301818656 258069164 /nfs/dbraw/zinc/06/91/64/258069164.db2.gz IMPAXNHLXPOJTG-UHFFFAOYSA-N 1 2 360.439 2.708 20 5 FFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000373003145 512128568 /nfs/dbraw/zinc/12/85/68/512128568.db2.gz MODKDWOAJZRCEV-ZDUSSCGKSA-N 1 2 357.414 2.587 20 5 FFBDLO CCc1cc(N2CC[S@](=O)CC[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000373024894 512137976 /nfs/dbraw/zinc/13/79/76/512137976.db2.gz DHGFGHJIRWPRNM-ZBSNKRKSSA-N 1 2 374.466 2.962 20 5 FFBDLO COc1ccc(C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000052835611 506258866 /nfs/dbraw/zinc/25/88/66/506258866.db2.gz RHLLAVIXVVWTOB-MRXNPFEDSA-N 1 2 355.394 2.667 20 5 FFBDLO COc1ccc(C[N@H+]2CCNC(=O)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000052835611 506258873 /nfs/dbraw/zinc/25/88/73/506258873.db2.gz RHLLAVIXVVWTOB-MRXNPFEDSA-N 1 2 355.394 2.667 20 5 FFBDLO COc1ccc(C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000052835614 506259727 /nfs/dbraw/zinc/25/97/27/506259727.db2.gz RHLLAVIXVVWTOB-INIZCTEOSA-N 1 2 355.394 2.667 20 5 FFBDLO COc1ccc(C[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000052835614 506259731 /nfs/dbraw/zinc/25/97/31/506259731.db2.gz RHLLAVIXVVWTOB-INIZCTEOSA-N 1 2 355.394 2.667 20 5 FFBDLO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCc2[nH+]ccn2C1 ZINC000373347107 512285182 /nfs/dbraw/zinc/28/51/82/512285182.db2.gz VZPKEEMQAYCTOF-NSHDSACASA-N 1 2 368.315 2.689 20 5 FFBDLO Cn1cc[nH+]c1CN1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000066854694 506668887 /nfs/dbraw/zinc/66/88/87/506668887.db2.gz OYJFZYVDXHVLBK-UHFFFAOYSA-N 1 2 369.347 2.669 20 5 FFBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000067004111 506722017 /nfs/dbraw/zinc/72/20/17/506722017.db2.gz GGBDDPCQDFTIKO-UHFFFAOYSA-N 1 2 353.382 2.752 20 5 FFBDLO CC[NH+](CC)[C@@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000067275220 506813918 /nfs/dbraw/zinc/81/39/18/506813918.db2.gz XUWUHWSXFUTYOI-HNNXBMFYSA-N 1 2 371.397 2.877 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+](C)Cc2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000044438032 506845562 /nfs/dbraw/zinc/84/55/62/506845562.db2.gz DOQDBBACOJRLLT-UHFFFAOYSA-N 1 2 365.336 2.952 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000044438032 506845571 /nfs/dbraw/zinc/84/55/71/506845571.db2.gz DOQDBBACOJRLLT-UHFFFAOYSA-N 1 2 365.336 2.952 20 5 FFBDLO Cc1sc(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000045142003 506923515 /nfs/dbraw/zinc/92/35/15/506923515.db2.gz URHOKGCZAQSHPB-PHIMTYICSA-N 1 2 355.460 2.582 20 5 FFBDLO Cc1sc(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000045142003 506923527 /nfs/dbraw/zinc/92/35/27/506923527.db2.gz URHOKGCZAQSHPB-PHIMTYICSA-N 1 2 355.460 2.582 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+](C)Cc2ccccc2OC)c([N+](=O)[O-])c1 ZINC000016564078 507097061 /nfs/dbraw/zinc/09/70/61/507097061.db2.gz ALMYJZOMRQHBJM-UHFFFAOYSA-N 1 2 359.382 2.683 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2OC)c([N+](=O)[O-])c1 ZINC000016564078 507097068 /nfs/dbraw/zinc/09/70/68/507097068.db2.gz ALMYJZOMRQHBJM-UHFFFAOYSA-N 1 2 359.382 2.683 20 5 FFBDLO Cc1c(C(=O)NCCCCNc2cccc[nH+]2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000068420746 507223112 /nfs/dbraw/zinc/22/31/12/507223112.db2.gz HLALEESBOPRUQA-UHFFFAOYSA-N 1 2 373.369 2.829 20 5 FFBDLO Cc1cc(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)ccc1[N+](=O)[O-] ZINC000057273827 507225013 /nfs/dbraw/zinc/22/50/13/507225013.db2.gz DHGLZWHHODRDCZ-UHFFFAOYSA-N 1 2 368.437 2.903 20 5 FFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057406200 507256925 /nfs/dbraw/zinc/25/69/25/507256925.db2.gz ZVKCFRWNBZADEQ-AWEZNQCLSA-N 1 2 372.400 2.883 20 5 FFBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000022226948 507283026 /nfs/dbraw/zinc/28/30/26/507283026.db2.gz PVMSSYYJDTZDPP-UHFFFAOYSA-N 1 2 362.817 2.545 20 5 FFBDLO CCCc1n[nH]c(C(=O)NCCC[N@H+](CC)c2ccccc2)c1[N+](=O)[O-] ZINC000068667015 507293373 /nfs/dbraw/zinc/29/33/73/507293373.db2.gz KKWYMWPRPDJXMR-UHFFFAOYSA-N 1 2 359.430 2.917 20 5 FFBDLO CCCc1n[nH]c(C(=O)NCCC[N@@H+](CC)c2ccccc2)c1[N+](=O)[O-] ZINC000068667015 507293377 /nfs/dbraw/zinc/29/33/77/507293377.db2.gz KKWYMWPRPDJXMR-UHFFFAOYSA-N 1 2 359.430 2.917 20 5 FFBDLO Cc1cccc2[nH+]c(CNc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])cn21 ZINC000068772333 507319670 /nfs/dbraw/zinc/31/96/70/507319670.db2.gz NWMZJEMRIDFLLG-UHFFFAOYSA-N 1 2 360.395 2.567 20 5 FFBDLO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744402 507388003 /nfs/dbraw/zinc/38/80/03/507388003.db2.gz QPBPFQDJXRVVOY-BRWVUGGUSA-N 1 2 374.485 2.895 20 5 FFBDLO O=[N+]([O-])c1ccc(NCc2ccc(N3CCOCC3)[nH+]c2)c2ncccc12 ZINC000024061062 507390125 /nfs/dbraw/zinc/39/01/25/507390125.db2.gz QHWGWKYCJATMFW-UHFFFAOYSA-N 1 2 365.393 2.987 20 5 FFBDLO COC(=O)c1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000070706015 507622303 /nfs/dbraw/zinc/62/23/03/507622303.db2.gz VDUKODPBHXMGSR-UHFFFAOYSA-N 1 2 366.333 2.819 20 5 FFBDLO C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@@H]1c1ccc(F)cc1 ZINC000371364574 512354817 /nfs/dbraw/zinc/35/48/17/512354817.db2.gz OIDRZNDLRCGBMW-YOEHRIQHSA-N 1 2 359.357 2.615 20 5 FFBDLO C[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@@H]1c1ccc(F)cc1 ZINC000371364574 512354822 /nfs/dbraw/zinc/35/48/22/512354822.db2.gz OIDRZNDLRCGBMW-YOEHRIQHSA-N 1 2 359.357 2.615 20 5 FFBDLO CCc1ccc(NC(=O)C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000071956293 507729838 /nfs/dbraw/zinc/72/98/38/507729838.db2.gz GAIVMSQOQPWLKJ-UHFFFAOYSA-N 1 2 368.437 2.918 20 5 FFBDLO Cc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000029087539 507757950 /nfs/dbraw/zinc/75/79/50/507757950.db2.gz ZBZVBMMBSFGOQJ-LJQANCHMSA-N 1 2 369.421 2.707 20 5 FFBDLO Cc1cccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000030696428 507812547 /nfs/dbraw/zinc/81/25/47/507812547.db2.gz SUBDLGYCESWPKU-GOSISDBHSA-N 1 2 369.421 2.707 20 5 FFBDLO CCOc1cccc(N2CC[NH+](Cc3ccc(OC)c([N+](=O)[O-])c3)CC2)n1 ZINC000106874302 507825430 /nfs/dbraw/zinc/82/54/30/507825430.db2.gz AFQIIWBZOBRLPG-UHFFFAOYSA-N 1 2 372.425 2.719 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CCCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000106888216 507825616 /nfs/dbraw/zinc/82/56/16/507825616.db2.gz MZQKZLKTZNETHV-UHFFFAOYSA-N 1 2 355.394 2.990 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CCCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000106888216 507825618 /nfs/dbraw/zinc/82/56/18/507825618.db2.gz MZQKZLKTZNETHV-UHFFFAOYSA-N 1 2 355.394 2.990 20 5 FFBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](Cc2ccno2)CC1 ZINC000072577121 507827094 /nfs/dbraw/zinc/82/70/94/507827094.db2.gz KWAZECWFPPZKRL-UHFFFAOYSA-N 1 2 356.304 2.924 20 5 FFBDLO CCc1[nH+]c2ccccc2n1C1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000089369125 507833819 /nfs/dbraw/zinc/83/38/19/507833819.db2.gz ABGCEYSGFKPWIP-UHFFFAOYSA-N 1 2 368.397 2.707 20 5 FFBDLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000107291409 507842398 /nfs/dbraw/zinc/84/23/98/507842398.db2.gz AWAFIDNOIAGGTG-KRWDZBQOSA-N 1 2 368.393 2.850 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@@H]3C[NH+]3CCOCC3)co2)cc1 ZINC000089906136 507881369 /nfs/dbraw/zinc/88/13/69/507881369.db2.gz KGCKSSFSGNEORW-GOSISDBHSA-N 1 2 372.425 2.546 20 5 FFBDLO CCc1nncn1CCNc1cc(CC)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000078560513 507883525 /nfs/dbraw/zinc/88/35/25/507883525.db2.gz UUBWSEJPOVZRMU-UHFFFAOYSA-N 1 2 367.413 2.880 20 5 FFBDLO O=[N+]([O-])c1cccc(N2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)c1 ZINC000110216420 508013792 /nfs/dbraw/zinc/01/37/92/508013792.db2.gz UPGLSAQVRIIEIY-UHFFFAOYSA-N 1 2 368.441 2.702 20 5 FFBDLO O=[N+]([O-])c1cccc(N2CCN(c3cc(N4CCCCC4)nc[nH+]3)CC2)c1 ZINC000110216420 508013794 /nfs/dbraw/zinc/01/37/94/508013794.db2.gz UPGLSAQVRIIEIY-UHFFFAOYSA-N 1 2 368.441 2.702 20 5 FFBDLO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000110959749 508060793 /nfs/dbraw/zinc/06/07/93/508060793.db2.gz LOSRSBQNKFIVMT-CQSZACIVSA-N 1 2 367.833 2.575 20 5 FFBDLO CN(Cc1cc(O)ccc1[N+](=O)[O-])C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645132 508089514 /nfs/dbraw/zinc/08/95/14/508089514.db2.gz ASESHHHWWALVBL-UHFFFAOYSA-N 1 2 370.453 2.834 20 5 FFBDLO COc1ccsc1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000093608056 508149994 /nfs/dbraw/zinc/14/99/94/508149994.db2.gz NUCFAUFHQRCZCU-UHFFFAOYSA-N 1 2 361.423 2.623 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000112671105 508207970 /nfs/dbraw/zinc/20/79/70/508207970.db2.gz JIHZLCSGTZPXFI-UHFFFAOYSA-N 1 2 358.398 2.659 20 5 FFBDLO C[C@H](CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000081798518 508212285 /nfs/dbraw/zinc/21/22/85/508212285.db2.gz JKHVNAXXHKSQIC-GFCCVEGCSA-N 1 2 366.805 2.666 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000088606994 508378824 /nfs/dbraw/zinc/37/88/24/508378824.db2.gz VMVZUBPEUHZGKN-ZDUSSCGKSA-N 1 2 355.394 2.989 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000088606994 508378825 /nfs/dbraw/zinc/37/88/25/508378825.db2.gz VMVZUBPEUHZGKN-ZDUSSCGKSA-N 1 2 355.394 2.989 20 5 FFBDLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000156675211 508460635 /nfs/dbraw/zinc/46/06/35/508460635.db2.gz UULJPSMVWTWOMK-CJNGLKHVSA-N 1 2 355.394 2.551 20 5 FFBDLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000156675211 508460637 /nfs/dbraw/zinc/46/06/37/508460637.db2.gz UULJPSMVWTWOMK-CJNGLKHVSA-N 1 2 355.394 2.551 20 5 FFBDLO Cc1ccc([C@H](C)NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000122082031 508478972 /nfs/dbraw/zinc/47/89/72/508478972.db2.gz OFVKLXSAFOQDPU-HOCLYGCPSA-N 1 2 369.425 2.937 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000116642925 508541281 /nfs/dbraw/zinc/54/12/81/508541281.db2.gz HQAPEAJWFGLKPF-UHFFFAOYSA-N 1 2 355.394 2.988 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000116643243 508541569 /nfs/dbraw/zinc/54/15/69/508541569.db2.gz SFBHRVPUEQVVBR-UHFFFAOYSA-N 1 2 355.394 2.988 20 5 FFBDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000157592084 508584836 /nfs/dbraw/zinc/58/48/36/508584836.db2.gz AGXPIAZDQHEYPD-AWEZNQCLSA-N 1 2 363.849 2.824 20 5 FFBDLO C[C@@H](c1ccccc1Cl)N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000157592084 508584839 /nfs/dbraw/zinc/58/48/39/508584839.db2.gz AGXPIAZDQHEYPD-AWEZNQCLSA-N 1 2 363.849 2.824 20 5 FFBDLO C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000157687460 508598237 /nfs/dbraw/zinc/59/82/37/508598237.db2.gz WFBIGWKKRUBYNO-UHFFFAOYSA-N 1 2 371.437 2.937 20 5 FFBDLO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)Cn1cc[nH+]c1 ZINC000153625406 508611533 /nfs/dbraw/zinc/61/15/33/508611533.db2.gz HBFMDVGULLLGLA-HNNXBMFYSA-N 1 2 371.441 2.848 20 5 FFBDLO CC[N@@H+](CC(=O)Nc1ccccc1OC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153701704 508629985 /nfs/dbraw/zinc/62/99/85/508629985.db2.gz RYMBCJBHEZETCQ-QGZVFWFLSA-N 1 2 373.409 2.597 20 5 FFBDLO CC[N@H+](CC(=O)Nc1ccccc1OC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153701704 508629989 /nfs/dbraw/zinc/62/99/89/508629989.db2.gz RYMBCJBHEZETCQ-QGZVFWFLSA-N 1 2 373.409 2.597 20 5 FFBDLO O=C(C[N@@H+]1CCC[C@@H]1c1ccncc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000153879177 508667963 /nfs/dbraw/zinc/66/79/63/508667963.db2.gz HWXVVSHVSKOJPF-QGZVFWFLSA-N 1 2 352.394 2.716 20 5 FFBDLO O=C(C[N@H+]1CCC[C@@H]1c1ccncc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000153879177 508667965 /nfs/dbraw/zinc/66/79/65/508667965.db2.gz HWXVVSHVSKOJPF-QGZVFWFLSA-N 1 2 352.394 2.716 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@@]3(CO)CCc4ccccc43)n2)c1 ZINC000136184698 508677010 /nfs/dbraw/zinc/67/70/10/508677010.db2.gz NWWLNRXSSLIHKO-LJQANCHMSA-N 1 2 366.377 2.568 20 5 FFBDLO C[C@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000123448818 508688451 /nfs/dbraw/zinc/68/84/51/508688451.db2.gz OJPXNKWGFODKPE-YOEHRIQHSA-N 1 2 357.414 2.703 20 5 FFBDLO C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866196 508688828 /nfs/dbraw/zinc/68/88/28/508688828.db2.gz XECUJBIXFGNJOR-RYUDHWBXSA-N 1 2 360.418 2.918 20 5 FFBDLO C[C@@H](c1nc(C(C)(C)C)no1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866196 508688830 /nfs/dbraw/zinc/68/88/30/508688830.db2.gz XECUJBIXFGNJOR-RYUDHWBXSA-N 1 2 360.418 2.918 20 5 FFBDLO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C[N@@H+]1Cc1ccccc1 ZINC000137882110 508766148 /nfs/dbraw/zinc/76/61/48/508766148.db2.gz GQRLLNBHDPFYAT-XJKSGUPXSA-N 1 2 355.394 2.693 20 5 FFBDLO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C[N@H+]1Cc1ccccc1 ZINC000137882110 508766154 /nfs/dbraw/zinc/76/61/54/508766154.db2.gz GQRLLNBHDPFYAT-XJKSGUPXSA-N 1 2 355.394 2.693 20 5 FFBDLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000124065355 508778557 /nfs/dbraw/zinc/77/85/57/508778557.db2.gz YLSCQRXRUHNICR-UHFFFAOYSA-N 1 2 359.357 2.818 20 5 FFBDLO O=C(NCc1ccc(-n2cc[nH+]c2)nc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000367277558 512421843 /nfs/dbraw/zinc/42/18/43/512421843.db2.gz NAVZRGZZHNXWSL-UHFFFAOYSA-N 1 2 374.360 2.654 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCOc2ccccc2F)CC1 ZINC000119811646 508867124 /nfs/dbraw/zinc/86/71/24/508867124.db2.gz LKDZKTWWMBENBN-UHFFFAOYSA-N 1 2 373.384 2.571 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC(n2cc[nH+]c2)CC1 ZINC000131198871 508899048 /nfs/dbraw/zinc/89/90/48/508899048.db2.gz HUDYZFPWDCTVRN-UHFFFAOYSA-N 1 2 351.366 2.817 20 5 FFBDLO C[C@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131460211 508934887 /nfs/dbraw/zinc/93/48/87/508934887.db2.gz BITLOQDEJZGLPH-AWEZNQCLSA-N 1 2 351.406 2.931 20 5 FFBDLO C[C@H]1Cc2ccccc2N1C(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131460211 508934890 /nfs/dbraw/zinc/93/48/90/508934890.db2.gz BITLOQDEJZGLPH-AWEZNQCLSA-N 1 2 351.406 2.931 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@]3(CO)CCc4ccccc43)o2)cc1 ZINC000132454142 509033729 /nfs/dbraw/zinc/03/37/29/509033729.db2.gz CBIXZRIHPZVNQI-IBGZPJMESA-N 1 2 366.377 2.568 20 5 FFBDLO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000126579131 509098125 /nfs/dbraw/zinc/09/81/25/509098125.db2.gz SFOWAEURGIXSPC-GUYCJALGSA-N 1 2 357.414 2.581 20 5 FFBDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000161306038 509099516 /nfs/dbraw/zinc/09/95/16/509099516.db2.gz ZEDHMSPOIGQIHB-HNNXBMFYSA-N 1 2 367.409 2.573 20 5 FFBDLO COc1cc(S(=O)(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)ccc1[N+](=O)[O-] ZINC000121389988 509171349 /nfs/dbraw/zinc/17/13/49/509171349.db2.gz JOPCOEXPPJLUGI-UHFFFAOYSA-N 1 2 374.378 2.794 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCOC[C@@H]1c1cccn1C ZINC000162423753 509220759 /nfs/dbraw/zinc/22/07/59/509220759.db2.gz ZBEALCINMKVSOR-GOSISDBHSA-N 1 2 372.425 2.644 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOC[C@@H]1c1cccn1C ZINC000162423753 509220766 /nfs/dbraw/zinc/22/07/66/509220766.db2.gz ZBEALCINMKVSOR-GOSISDBHSA-N 1 2 372.425 2.644 20 5 FFBDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000162648183 509271956 /nfs/dbraw/zinc/27/19/56/509271956.db2.gz MBJWMYLJAWHIOD-ZDUSSCGKSA-N 1 2 372.400 2.835 20 5 FFBDLO NC(=O)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000179218242 509325180 /nfs/dbraw/zinc/32/51/80/509325180.db2.gz QYRHSGAMCHRXFY-AWEZNQCLSA-N 1 2 364.199 2.674 20 5 FFBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000179298803 509361933 /nfs/dbraw/zinc/36/19/33/509361933.db2.gz KBGQNNNXHLRMHI-UHFFFAOYSA-N 1 2 366.333 2.786 20 5 FFBDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000185835872 509378604 /nfs/dbraw/zinc/37/86/04/509378604.db2.gz ZLLYXHXJWXVGSC-UHFFFAOYSA-N 1 2 358.379 2.753 20 5 FFBDLO O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000182722514 509392686 /nfs/dbraw/zinc/39/26/86/509392686.db2.gz BSLLUHSPTAZGMS-UHFFFAOYSA-N 1 2 372.406 2.765 20 5 FFBDLO COc1cc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc([N+](=O)[O-])c1C ZINC000189184883 509454497 /nfs/dbraw/zinc/45/44/97/509454497.db2.gz XBTYNSYRNYUAHY-UHFFFAOYSA-N 1 2 362.411 2.609 20 5 FFBDLO COc1cc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc([N+](=O)[O-])c1C ZINC000189184883 509454501 /nfs/dbraw/zinc/45/45/01/509454501.db2.gz XBTYNSYRNYUAHY-UHFFFAOYSA-N 1 2 362.411 2.609 20 5 FFBDLO CCCc1n[nH]c(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000264652728 509624419 /nfs/dbraw/zinc/62/44/19/509624419.db2.gz FWVIVXSARVYNNP-UHFFFAOYSA-N 1 2 372.429 2.586 20 5 FFBDLO C[NH+](C)CCCOc1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000186298380 509630754 /nfs/dbraw/zinc/63/07/54/509630754.db2.gz CKXFDWAZMJECTF-UHFFFAOYSA-N 1 2 359.382 2.883 20 5 FFBDLO CC1(C)CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC(C)(C)O1 ZINC000189588999 509651396 /nfs/dbraw/zinc/65/13/96/509651396.db2.gz HQODEBWEOCMNSY-UHFFFAOYSA-N 1 2 358.398 2.810 20 5 FFBDLO C[C@@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000183215699 509662357 /nfs/dbraw/zinc/66/23/57/509662357.db2.gz NSEQVLBDKMAKKK-NSHDSACASA-N 1 2 368.846 2.989 20 5 FFBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000189772402 509743933 /nfs/dbraw/zinc/74/39/33/509743933.db2.gz BQHWQZNFNQHLJM-LBPRGKRZSA-N 1 2 360.439 2.758 20 5 FFBDLO C[C@H]1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000268231572 509826412 /nfs/dbraw/zinc/82/64/12/509826412.db2.gz FROBUUFBGDFFNG-SCLBCKFNSA-N 1 2 369.425 2.771 20 5 FFBDLO C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C[C@H]1n1cc[nH+]c1 ZINC000268257719 509838778 /nfs/dbraw/zinc/83/87/78/509838778.db2.gz LRYCIRQUSNODIA-CXAGYDPISA-N 1 2 371.397 2.835 20 5 FFBDLO Cc1nc2sccn2c1C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000268506048 509974839 /nfs/dbraw/zinc/97/48/39/509974839.db2.gz UPXGMVGULUFPII-UHFFFAOYSA-N 1 2 373.438 2.991 20 5 FFBDLO Cc1nc2sccn2c1C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000268506048 509974848 /nfs/dbraw/zinc/97/48/48/509974848.db2.gz UPXGMVGULUFPII-UHFFFAOYSA-N 1 2 373.438 2.991 20 5 FFBDLO COC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000171315638 510077601 /nfs/dbraw/zinc/07/76/01/510077601.db2.gz XVZNWFBRRMIKPI-INIZCTEOSA-N 1 2 366.377 2.898 20 5 FFBDLO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000180780257 510105508 /nfs/dbraw/zinc/10/55/08/510105508.db2.gz RPBJIKKBVVMTKZ-VMPITWQZSA-N 1 2 366.421 2.648 20 5 FFBDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000265631107 510147263 /nfs/dbraw/zinc/14/72/63/510147263.db2.gz PHOYUMBGXLWAMY-DSGZJRDPSA-N 1 2 363.439 2.634 20 5 FFBDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000265631107 510147269 /nfs/dbraw/zinc/14/72/69/510147269.db2.gz PHOYUMBGXLWAMY-DSGZJRDPSA-N 1 2 363.439 2.634 20 5 FFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)C[C@H](O)C(F)(F)F ZINC000181286138 510338731 /nfs/dbraw/zinc/33/87/31/510338731.db2.gz UDXHQIONWNNQLZ-KWQFWETISA-N 1 2 360.292 2.561 20 5 FFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000181286138 510338738 /nfs/dbraw/zinc/33/87/38/510338738.db2.gz UDXHQIONWNNQLZ-KWQFWETISA-N 1 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CC(C)NC(=O)c1ccc(N[C@H]2CCN(c3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000269879970 510581599 /nfs/dbraw/zinc/58/15/99/510581599.db2.gz RRJFIZYCIRYFDI-HNNXBMFYSA-N 1 2 369.425 2.819 20 5 FFBDLO O=[N+]([O-])c1cc(Br)cnc1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000269902733 510590807 /nfs/dbraw/zinc/59/08/07/510590807.db2.gz ZPINCTXVWHGHRR-NSHDSACASA-N 1 2 364.203 2.838 20 5 FFBDLO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1nccs1 ZINC000185067916 510665157 /nfs/dbraw/zinc/66/51/57/510665157.db2.gz HWOITKMCADHTDE-NSHDSACASA-N 1 2 350.400 2.739 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3nnc(-c4ccccc4)o3)C2)nc1 ZINC000172358593 510688230 /nfs/dbraw/zinc/68/82/30/510688230.db2.gz RABCHILOROYZRE-CQSZACIVSA-N 1 2 366.381 2.726 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3nnc(-c4ccccc4)o3)C2)nc1 ZINC000172358593 510688235 /nfs/dbraw/zinc/68/82/35/510688235.db2.gz RABCHILOROYZRE-CQSZACIVSA-N 1 2 366.381 2.726 20 5 FFBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000185140415 510707649 /nfs/dbraw/zinc/70/76/49/510707649.db2.gz HZXJNNHTNWBQBB-WCRPCQDQSA-N 1 2 352.394 2.788 20 5 FFBDLO O=c1onc(-c2ccc([N+](=O)[O-])cc2)n1Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000195197161 510712601 /nfs/dbraw/zinc/71/26/01/510712601.db2.gz FVMKTQVWHDDHHH-UHFFFAOYSA-N 1 2 371.740 2.761 20 5 FFBDLO O=C(Cc1cn2ccccc2[nH+]1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178678437 510717934 /nfs/dbraw/zinc/71/79/34/510717934.db2.gz IEQVVEWBHAJIQE-UHFFFAOYSA-N 1 2 350.378 2.976 20 5 FFBDLO O=C(C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000246898421 510734635 /nfs/dbraw/zinc/73/46/35/510734635.db2.gz VNABNCUYRGPSSW-NHYWBVRUSA-N 1 2 353.806 2.688 20 5 FFBDLO O=C(C[N@H+]1CC[C@@H]2OCCC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000246898421 510734642 /nfs/dbraw/zinc/73/46/42/510734642.db2.gz VNABNCUYRGPSSW-NHYWBVRUSA-N 1 2 353.806 2.688 20 5 FFBDLO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1nc(C(C)(C)C)no1 ZINC000185212811 510752529 /nfs/dbraw/zinc/75/25/29/510752529.db2.gz PJJVTIWCACXIMH-NSHDSACASA-N 1 2 361.402 2.589 20 5 FFBDLO Cc1ccc(CN2C(=O)N[C@@](C)(c3cccc([N+](=O)[O-])c3)C2=O)c(C)[nH+]1 ZINC000185336408 510812359 /nfs/dbraw/zinc/81/23/59/510812359.db2.gz GKLSMSBJGHUOPB-SFHVURJKSA-N 1 2 354.366 2.574 20 5 FFBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)COc1ccc(-n2cc[nH+]c2)cc1 ZINC000182270532 510839908 /nfs/dbraw/zinc/83/99/08/510839908.db2.gz COKHGNWFUVSQPI-OAHLLOKOSA-N 1 2 355.350 2.599 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000247306118 510856178 /nfs/dbraw/zinc/85/61/78/510856178.db2.gz LQAYLOKHLHLRRF-QZTJIDSGSA-N 1 2 350.415 2.762 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000247306118 510856179 /nfs/dbraw/zinc/85/61/79/510856179.db2.gz LQAYLOKHLHLRRF-QZTJIDSGSA-N 1 2 350.415 2.762 20 5 FFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000247444691 510861176 /nfs/dbraw/zinc/86/11/76/510861176.db2.gz SGYYBNGNVSJRMN-WQVCFCJDSA-N 1 2 374.397 2.586 20 5 FFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000247444691 510861177 /nfs/dbraw/zinc/86/11/77/510861177.db2.gz SGYYBNGNVSJRMN-WQVCFCJDSA-N 1 2 374.397 2.586 20 5 FFBDLO COc1cc(NCc2cc[nH+]c(N3CCOCC3)c2)c(F)cc1[N+](=O)[O-] ZINC000271074407 511075947 /nfs/dbraw/zinc/07/59/47/511075947.db2.gz GINMZKMPQKWPPN-UHFFFAOYSA-N 1 2 362.361 2.586 20 5 FFBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000282886276 511149216 /nfs/dbraw/zinc/14/92/16/511149216.db2.gz VSSPHSWGWCJXGW-UHFFFAOYSA-N 1 2 363.393 2.627 20 5 FFBDLO O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000294750459 511165471 /nfs/dbraw/zinc/16/54/71/511165471.db2.gz YWBBHPOOXDZVEZ-CYBMUJFWSA-N 1 2 366.381 2.728 20 5 FFBDLO COC(=O)C1CC[NH+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC1 ZINC000279808256 511222477 /nfs/dbraw/zinc/22/24/77/511222477.db2.gz AFWJOKUQZZPKOM-UHFFFAOYSA-N 1 2 374.340 2.590 20 5 FFBDLO C[C@H](Nc1cc(N2CCCC[C@H]2CO)nc[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000294926234 511223983 /nfs/dbraw/zinc/22/39/83/511223983.db2.gz KICLGKWRJLDAMP-BBRMVZONSA-N 1 2 357.414 2.909 20 5 FFBDLO C[C@H](Nc1cc(N2CCCC[C@H]2CO)[nH+]cn1)c1ccc([N+](=O)[O-])cc1 ZINC000294926234 511223988 /nfs/dbraw/zinc/22/39/88/511223988.db2.gz KICLGKWRJLDAMP-BBRMVZONSA-N 1 2 357.414 2.909 20 5 FFBDLO CN(CCCn1cc[nH+]c1)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294982735 511242983 /nfs/dbraw/zinc/24/29/83/511242983.db2.gz ORIASSLGRXWWNT-UHFFFAOYSA-N 1 2 356.304 2.972 20 5 FFBDLO CCn1cc[nH+]c1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000295828747 511528744 /nfs/dbraw/zinc/52/87/44/511528744.db2.gz UQWWRPCIWJTJQO-UHFFFAOYSA-N 1 2 371.441 2.978 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000280951467 511664066 /nfs/dbraw/zinc/66/40/66/511664066.db2.gz IVEPHAMBGSWYJI-ZBFHGGJFSA-N 1 2 370.409 2.608 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000280951467 511664072 /nfs/dbraw/zinc/66/40/72/511664072.db2.gz IVEPHAMBGSWYJI-ZBFHGGJFSA-N 1 2 370.409 2.608 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc(F)c3)CC2)c([N+](=O)[O-])c1 ZINC000301709127 511700269 /nfs/dbraw/zinc/70/02/69/511700269.db2.gz JOOUGVALQVXXFI-UHFFFAOYSA-N 1 2 360.345 2.964 20 5 FFBDLO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000365876240 511704002 /nfs/dbraw/zinc/70/40/02/511704002.db2.gz JGBAWQJKKXNKEU-LLVKDONJSA-N 1 2 368.315 2.689 20 5 FFBDLO CCc1[nH+]c2ccccc2n1Cc1noc(-c2c([N+](=O)[O-])c(C)nn2C)n1 ZINC000274096206 511717858 /nfs/dbraw/zinc/71/78/58/511717858.db2.gz WLAGIVAIWVFSRP-UHFFFAOYSA-N 1 2 367.369 2.647 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000296602650 511814416 /nfs/dbraw/zinc/81/44/16/511814416.db2.gz HMSZABHKJHDUCI-CQSZACIVSA-N 1 2 359.386 2.952 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000373938679 512582402 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352.412 2.792 20 5 FFBDLO CC[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1occc1C ZINC000412023688 512915996 /nfs/dbraw/zinc/91/59/96/512915996.db2.gz DBMPSZSDPYLYNM-UHFFFAOYSA-N 1 2 352.412 2.792 20 5 FFBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000370484832 512957147 /nfs/dbraw/zinc/95/71/47/512957147.db2.gz ODGYLJUCDNJFFB-UHFFFAOYSA-N 1 2 367.365 2.504 20 5 FFBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000412195478 512993724 /nfs/dbraw/zinc/99/37/24/512993724.db2.gz PUNLPVHOJIKXCQ-FHLIZLRMSA-N 1 2 368.437 2.913 20 5 FFBDLO CC[C@@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000439639154 513154922 /nfs/dbraw/zinc/15/49/22/513154922.db2.gz AJAPTOOSKRLZBP-GFCCVEGCSA-N 1 2 354.370 2.846 20 5 FFBDLO Cc1ccc(N2CCC(NC(=O)c3[nH]nc(C(C)C)c3[N+](=O)[O-])CC2)[nH+]c1 ZINC000434239898 513267233 /nfs/dbraw/zinc/26/72/33/513267233.db2.gz NRCUGLFLWGRJIF-UHFFFAOYSA-N 1 2 372.429 2.544 20 5 FFBDLO CC[C@H](C)[C@H](CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])OC ZINC000450625411 513278107 /nfs/dbraw/zinc/27/81/07/513278107.db2.gz UGIXWDVPNOTREL-KSSFIOAISA-N 1 2 351.447 2.900 20 5 FFBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000429199668 513303697 /nfs/dbraw/zinc/30/36/97/513303697.db2.gz PLCBYAOGBZHRRE-AWEZNQCLSA-N 1 2 357.366 2.743 20 5 FFBDLO C[C@H]1C[C@H](Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000450831363 513360364 /nfs/dbraw/zinc/36/03/64/513360364.db2.gz PIMZOWDZZGKCNU-FZMZJTMJSA-N 1 2 366.381 2.874 20 5 FFBDLO C[C@H]1COCC[N@@H+]1CCSc1nc2cc3ccccc3cc2c(=O)n1C ZINC000412983963 513380207 /nfs/dbraw/zinc/38/02/07/513380207.db2.gz BHJDTJCVMJMQNE-AWEZNQCLSA-N 1 2 369.490 2.900 20 5 FFBDLO C[C@H]1COCC[N@H+]1CCSc1nc2cc3ccccc3cc2c(=O)n1C ZINC000412983963 513380209 /nfs/dbraw/zinc/38/02/09/513380209.db2.gz BHJDTJCVMJMQNE-AWEZNQCLSA-N 1 2 369.490 2.900 20 5 FFBDLO O=[N+]([O-])c1cnc(Nc2ccc(N3CCOCC3)[nH+]c2)c(C(F)(F)F)c1 ZINC000413039665 513400164 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FFBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+](C)C(C)(C)C(N)=O)cc1OC ZINC000451135174 513544147 /nfs/dbraw/zinc/54/41/47/513544147.db2.gz KYZFJUVIZHICIL-GFCCVEGCSA-N 1 2 367.446 2.724 20 5 FFBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+](C)C(C)(C)C(N)=O)cc1OC ZINC000451135174 513544152 /nfs/dbraw/zinc/54/41/52/513544152.db2.gz KYZFJUVIZHICIL-GFCCVEGCSA-N 1 2 367.446 2.724 20 5 FFBDLO CO[C@H](CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])C(C)(C)C ZINC000447808837 513576545 /nfs/dbraw/zinc/57/65/45/513576545.db2.gz WROHGHJMBGNGME-QGZVFWFLSA-N 1 2 351.447 2.900 20 5 FFBDLO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000447815980 513580116 /nfs/dbraw/zinc/58/01/16/513580116.db2.gz IIYAIHUSTBDNDT-GHMZBOCLSA-N 1 2 371.821 2.556 20 5 FFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000425468169 513582851 /nfs/dbraw/zinc/58/28/51/513582851.db2.gz CTPBZXRKZAENFI-LBPRGKRZSA-N 1 2 351.147 2.559 20 5 FFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000425468169 513582858 /nfs/dbraw/zinc/58/28/58/513582858.db2.gz CTPBZXRKZAENFI-LBPRGKRZSA-N 1 2 351.147 2.559 20 5 FFBDLO COc1ccccc1N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430213653 513590531 /nfs/dbraw/zinc/59/05/31/513590531.db2.gz CJUDCIFUPQPNRA-UHFFFAOYSA-N 1 2 357.410 2.934 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3C[C@H](c4ccccc4)[C@@](F)(CO)C3)nc2c1 ZINC000451280559 513648677 /nfs/dbraw/zinc/64/86/77/513648677.db2.gz HFMJJJSIVLHQJH-BEFAXECRSA-N 1 2 370.384 2.771 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3C[C@H](c4ccccc4)[C@@](F)(CO)C3)nc2c1 ZINC000451280559 513648684 /nfs/dbraw/zinc/64/86/84/513648684.db2.gz HFMJJJSIVLHQJH-BEFAXECRSA-N 1 2 370.384 2.771 20 5 FFBDLO COc1cccc(N2CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000418955266 513703728 /nfs/dbraw/zinc/70/37/28/513703728.db2.gz XKFMYWXSWGFBQX-SFHVURJKSA-N 1 2 365.430 2.504 20 5 FFBDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@@H](C)O2 ZINC000448360860 513743642 /nfs/dbraw/zinc/74/36/42/513743642.db2.gz UVXOYBSRHQORFI-PSTGCABASA-N 1 2 372.368 2.965 20 5 FFBDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@@H](C)O2 ZINC000448360860 513743649 /nfs/dbraw/zinc/74/36/49/513743649.db2.gz UVXOYBSRHQORFI-PSTGCABASA-N 1 2 372.368 2.965 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)c1 ZINC000451551195 513827605 /nfs/dbraw/zinc/82/76/05/513827605.db2.gz TTWRNWOMXVXJQW-CQSZACIVSA-N 1 2 352.416 2.610 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C(=O)OC(C)C)C(C)C ZINC000451585382 513847707 /nfs/dbraw/zinc/84/77/07/513847707.db2.gz DLJLKGFEGIEBCO-KRWDZBQOSA-N 1 2 365.430 2.798 20 5 FFBDLO COc1cc[nH+]cc1CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000431459680 513902911 /nfs/dbraw/zinc/90/29/11/513902911.db2.gz SJXNNXJQAXVXIK-UHFFFAOYSA-N 1 2 350.762 2.651 20 5 FFBDLO COc1cc(C[N@H+](CCO)Cc2cccc(F)c2)c([N+](=O)[O-])cc1OC ZINC000426385117 513923493 /nfs/dbraw/zinc/92/34/93/513923493.db2.gz LBMJIXAJNOOFFX-UHFFFAOYSA-N 1 2 364.373 2.746 20 5 FFBDLO COc1cc(C[N@@H+](CCO)Cc2cccc(F)c2)c([N+](=O)[O-])cc1OC ZINC000426385117 513923500 /nfs/dbraw/zinc/92/35/00/513923500.db2.gz LBMJIXAJNOOFFX-UHFFFAOYSA-N 1 2 364.373 2.746 20 5 FFBDLO Cc1cc(C)c(S(=O)(=O)Nc2nc(C[NH+](C)C)cs2)cc1[N+](=O)[O-] ZINC000414457384 514129414 /nfs/dbraw/zinc/12/94/14/514129414.db2.gz KRHNEOJPQZJARC-UHFFFAOYSA-N 1 2 370.456 2.531 20 5 FFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000423697985 514205638 /nfs/dbraw/zinc/20/56/38/514205638.db2.gz LZDNZLSCGZQPAQ-JTQLQIEISA-N 1 2 359.398 2.681 20 5 FFBDLO O=C(Nc1c[nH+]c2n1CCCC2)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000452335011 514289095 /nfs/dbraw/zinc/28/90/95/514289095.db2.gz OSEZMZXUTFJSOI-UHFFFAOYSA-N 1 2 352.297 2.981 20 5 FFBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000432939384 514330304 /nfs/dbraw/zinc/33/03/04/514330304.db2.gz QSLOQLHMLNIZBT-UHFFFAOYSA-N 1 2 362.352 2.556 20 5 FFBDLO CN(CC[N@H+]1CCOC(C)(C)C1)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000432939384 514330312 /nfs/dbraw/zinc/33/03/12/514330312.db2.gz QSLOQLHMLNIZBT-UHFFFAOYSA-N 1 2 362.352 2.556 20 5 FFBDLO COC(=O)[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000449756246 514339058 /nfs/dbraw/zinc/33/90/58/514339058.db2.gz PFAPLIYTRKFGNX-DLBZAZTESA-N 1 2 356.378 2.689 20 5 FFBDLO COC(=O)[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000449756246 514339066 /nfs/dbraw/zinc/33/90/66/514339066.db2.gz PFAPLIYTRKFGNX-DLBZAZTESA-N 1 2 356.378 2.689 20 5 FFBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000428006403 514372246 /nfs/dbraw/zinc/37/22/46/514372246.db2.gz ONPVIOABAHHAGN-LBPRGKRZSA-N 1 2 369.406 2.660 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1(C)C ZINC000452841230 514512969 /nfs/dbraw/zinc/51/29/69/514512969.db2.gz HLHZHIVUIZAYAH-HNNXBMFYSA-N 1 2 364.352 2.759 20 5 FFBDLO Cc1cc[nH+]cc1N1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000439401222 514544095 /nfs/dbraw/zinc/54/40/95/514544095.db2.gz HUQSEPMKPAJMLW-UHFFFAOYSA-N 1 2 359.361 2.791 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461407667 514600598 /nfs/dbraw/zinc/60/05/98/514600598.db2.gz QELHCEJECKAIIA-UHFFFAOYSA-N 1 2 364.361 2.815 20 5 FFBDLO O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccccc1Cn1cc[nH+]c1 ZINC000497726762 514611378 /nfs/dbraw/zinc/61/13/78/514611378.db2.gz FABNBHKPINICFQ-UHFFFAOYSA-N 1 2 350.378 2.699 20 5 FFBDLO COc1cc(C[N@H+](C)[C@@H]2CCN(c3ccccc3F)C2=O)ccc1[N+](=O)[O-] ZINC000489194737 514747715 /nfs/dbraw/zinc/74/77/15/514747715.db2.gz FKPRDRSOSNNVDE-QGZVFWFLSA-N 1 2 373.384 2.980 20 5 FFBDLO COc1cc(C[N@@H+](C)[C@@H]2CCN(c3ccccc3F)C2=O)ccc1[N+](=O)[O-] ZINC000489194737 514747722 /nfs/dbraw/zinc/74/77/22/514747722.db2.gz FKPRDRSOSNNVDE-QGZVFWFLSA-N 1 2 373.384 2.980 20 5 FFBDLO COc1cc(CN(C)Cc2[nH+]ccn2CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000489249196 514770280 /nfs/dbraw/zinc/77/02/80/514770280.db2.gz NMNGBHSOQRIQGW-UHFFFAOYSA-N 1 2 358.320 2.994 20 5 FFBDLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498152068 514781115 /nfs/dbraw/zinc/78/11/15/514781115.db2.gz GPRZJQDGBQTVPJ-DYVFJYSZSA-N 1 2 358.423 2.628 20 5 FFBDLO COc1cc(C(=O)NCc2[nH+]ccn2CC(F)(F)F)cc([N+](=O)[O-])c1C ZINC000480036859 514819367 /nfs/dbraw/zinc/81/93/67/514819367.db2.gz BVGLCJUTKFCOQD-UHFFFAOYSA-N 1 2 372.303 2.601 20 5 FFBDLO CC1(C)C[S@@](=O)CC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000502881656 514825776 /nfs/dbraw/zinc/82/57/76/514825776.db2.gz SGCQZJPUALLUOG-VWLOTQADSA-N 1 2 363.439 2.635 20 5 FFBDLO CC1(C)C[S@@](=O)CC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000502881656 514825786 /nfs/dbraw/zinc/82/57/86/514825786.db2.gz SGCQZJPUALLUOG-VWLOTQADSA-N 1 2 363.439 2.635 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](c1nc(C)no1)C1CCOCC1 ZINC000498372750 514887455 /nfs/dbraw/zinc/88/74/55/514887455.db2.gz KRZMAZMNJWZQNL-MRXNPFEDSA-N 1 2 362.386 2.552 20 5 FFBDLO COc1c(C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)cccc1[N+](=O)[O-] ZINC000476068291 514907112 /nfs/dbraw/zinc/90/71/12/514907112.db2.gz BEUZPQLCCZVSBN-AWEZNQCLSA-N 1 2 370.409 2.517 20 5 FFBDLO Cc1ccc([C@H](C)NC(=O)c2cc(-n3cc[nH+]c3)ccn2)cc1[N+](=O)[O-] ZINC000489594715 514910349 /nfs/dbraw/zinc/91/03/49/514910349.db2.gz LETBEKPHJUNPQQ-ZDUSSCGKSA-N 1 2 351.366 2.975 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCSC[C@H]1C1CC1 ZINC000456181706 515005467 /nfs/dbraw/zinc/00/54/67/515005467.db2.gz ONKCEPFRQOEPJC-INIZCTEOSA-N 1 2 358.423 2.748 20 5 FFBDLO C[C@@H](CNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)Cn1cc[nH+]c1 ZINC000462483013 515076549 /nfs/dbraw/zinc/07/65/49/515076549.db2.gz JQPQAAAOTCCFFJ-HNNXBMFYSA-N 1 2 367.409 2.935 20 5 FFBDLO CC(C)(C)c1ccc(C(=O)NCC[N@@H+]2CCOCC2(C)C)cc1[N+](=O)[O-] ZINC000476512962 515080752 /nfs/dbraw/zinc/08/07/52/515080752.db2.gz JZXOYPBJDJRKCM-UHFFFAOYSA-N 1 2 363.458 2.733 20 5 FFBDLO CC(C)(C)c1ccc(C(=O)NCC[N@H+]2CCOCC2(C)C)cc1[N+](=O)[O-] ZINC000476512962 515080763 /nfs/dbraw/zinc/08/07/63/515080763.db2.gz JZXOYPBJDJRKCM-UHFFFAOYSA-N 1 2 363.458 2.733 20 5 FFBDLO O=C(Nc1cccc([N+](=O)[O-])c1)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000454134660 515259844 /nfs/dbraw/zinc/25/98/44/515259844.db2.gz JSEWCDCUWNSVGT-UHFFFAOYSA-N 1 2 374.397 2.554 20 5 FFBDLO Cn1c2ccccc2[nH+]c1CCn1cc(Br)c([N+](=O)[O-])n1 ZINC000509956725 515381713 /nfs/dbraw/zinc/38/17/13/515381713.db2.gz JFEUYGFAADWZFE-UHFFFAOYSA-N 1 2 350.176 2.683 20 5 FFBDLO COCC1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCC1 ZINC000456887533 515482998 /nfs/dbraw/zinc/48/29/98/515482998.db2.gz UKUIWZCUSTVEFC-UHFFFAOYSA-N 1 2 358.398 2.717 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000473155840 515517854 /nfs/dbraw/zinc/51/78/54/515517854.db2.gz BTWHUZHHOXNGOM-FQEVSTJZSA-N 1 2 367.405 2.973 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000473155840 515517864 /nfs/dbraw/zinc/51/78/64/515517864.db2.gz BTWHUZHHOXNGOM-FQEVSTJZSA-N 1 2 367.405 2.973 20 5 FFBDLO COC[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000457035671 515598269 /nfs/dbraw/zinc/59/82/69/515598269.db2.gz LIHYTVXBUYJIDV-AWEZNQCLSA-N 1 2 358.398 2.669 20 5 FFBDLO Cc1c(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cccc1[N+](=O)[O-] ZINC000478391125 515804193 /nfs/dbraw/zinc/80/41/93/515804193.db2.gz KWOSGLSGPXVTFS-UHFFFAOYSA-N 1 2 369.425 2.898 20 5 FFBDLO Cc1cc[nH+]cc1N1CCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000500679851 515814994 /nfs/dbraw/zinc/81/49/94/515814994.db2.gz MUTHDJCDFQNDQF-AWEZNQCLSA-N 1 2 372.400 2.890 20 5 FFBDLO O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000478709281 515937164 /nfs/dbraw/zinc/93/71/64/515937164.db2.gz FWJWAMYDBNQZAB-UHFFFAOYSA-N 1 2 363.333 2.646 20 5 FFBDLO C[C@@H]1COC[C@@H](c2ccccc2)[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000501046698 515952459 /nfs/dbraw/zinc/95/24/59/515952459.db2.gz MLKCFQZZESSSEG-ZTNFWEORSA-N 1 2 372.421 2.797 20 5 FFBDLO C[C@@H]1COC[C@@H](c2ccccc2)[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000501046698 515952464 /nfs/dbraw/zinc/95/24/64/515952464.db2.gz MLKCFQZZESSSEG-ZTNFWEORSA-N 1 2 372.421 2.797 20 5 FFBDLO C[C@@H]1COC[C@H](c2ccccc2)[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000501046695 515952637 /nfs/dbraw/zinc/95/26/37/515952637.db2.gz MLKCFQZZESSSEG-MOXGXCLJSA-N 1 2 372.421 2.797 20 5 FFBDLO C[C@@H]1COC[C@H](c2ccccc2)[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000501046695 515952644 /nfs/dbraw/zinc/95/26/44/515952644.db2.gz MLKCFQZZESSSEG-MOXGXCLJSA-N 1 2 372.421 2.797 20 5 FFBDLO CC1(C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@]2(CCCOC2)O1 ZINC000483338168 516039035 /nfs/dbraw/zinc/03/90/35/516039035.db2.gz HOENTZFNBBCXOS-GOSISDBHSA-N 1 2 360.414 2.631 20 5 FFBDLO CC1(C)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@]2(CCCOC2)O1 ZINC000483338168 516039043 /nfs/dbraw/zinc/03/90/43/516039043.db2.gz HOENTZFNBBCXOS-GOSISDBHSA-N 1 2 360.414 2.631 20 5 FFBDLO CN(C)c1ccccc1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000474462635 516056675 /nfs/dbraw/zinc/05/66/75/516056675.db2.gz ZISMTXANSVDBHZ-UHFFFAOYSA-N 1 2 365.393 2.777 20 5 FFBDLO Cc1cc(NCC[C@@H](O)C(F)(F)F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000512412173 516268939 /nfs/dbraw/zinc/26/89/39/516268939.db2.gz SFDAYJIDUZHLQP-GFCCVEGCSA-N 1 2 356.304 2.507 20 5 FFBDLO C[NH+](C)[C@@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])c1ccsc1 ZINC000497539175 516325777 /nfs/dbraw/zinc/32/57/77/516325777.db2.gz ACCLQDBQZDFVFE-ZDUSSCGKSA-N 1 2 369.468 2.775 20 5 FFBDLO CCOC(=O)CC[C@H](C)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000535536746 516389100 /nfs/dbraw/zinc/38/91/00/516389100.db2.gz DEVSWGHVNZMTMV-LBPRGKRZSA-N 1 2 358.398 2.926 20 5 FFBDLO O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000557713389 516398867 /nfs/dbraw/zinc/39/88/67/516398867.db2.gz DLCUCTXJMJRLKT-UHFFFAOYSA-N 1 2 366.381 2.675 20 5 FFBDLO O=[N+]([O-])c1ccc2nc(NCc3[nH+]ccn3CC(F)(F)F)ccc2c1 ZINC000540284513 516500408 /nfs/dbraw/zinc/50/04/08/516500408.db2.gz BPPLWTLZHMCGMO-UHFFFAOYSA-N 1 2 351.288 2.936 20 5 FFBDLO C[C@H]([NH2+][C@@H](C)c1c(F)cncc1F)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000513277021 516552801 /nfs/dbraw/zinc/55/28/01/516552801.db2.gz UNWIWTAGQCJYHN-UWVGGRQHSA-N 1 2 350.325 2.946 20 5 FFBDLO O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000531664924 516585956 /nfs/dbraw/zinc/58/59/56/516585956.db2.gz JTCJKEMISUDVDZ-HZPDHXFCSA-N 1 2 373.409 2.714 20 5 FFBDLO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000540517321 516597103 /nfs/dbraw/zinc/59/71/03/516597103.db2.gz LAEGACXGFCLLGQ-UHFFFAOYSA-N 1 2 365.393 2.561 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000561871786 516808424 /nfs/dbraw/zinc/80/84/24/516808424.db2.gz BGPIOSHHALMNEQ-QGZVFWFLSA-N 1 2 370.409 2.528 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000561871786 516808433 /nfs/dbraw/zinc/80/84/33/516808433.db2.gz BGPIOSHHALMNEQ-QGZVFWFLSA-N 1 2 370.409 2.528 20 5 FFBDLO CC(C)N(C(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CCCC1 ZINC000532158009 516831764 /nfs/dbraw/zinc/83/17/64/516831764.db2.gz UUBCWHXOGSTJIU-UHFFFAOYSA-N 1 2 374.485 2.896 20 5 FFBDLO Cn1cc[nH+]c1CN1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2Cl)C1=O ZINC000541190414 516922795 /nfs/dbraw/zinc/92/27/95/516922795.db2.gz RKUUPMODOFAUGC-AWEZNQCLSA-N 1 2 363.805 2.585 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)c1 ZINC000525133570 516927274 /nfs/dbraw/zinc/92/72/74/516927274.db2.gz MQPOVYRAFQZQDS-GOSISDBHSA-N 1 2 369.421 2.707 20 5 FFBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000548935864 517315260 /nfs/dbraw/zinc/31/52/60/517315260.db2.gz AEIQCVKAIUHLJS-UHFFFAOYSA-N 1 2 360.414 2.993 20 5 FFBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000548935864 517315267 /nfs/dbraw/zinc/31/52/67/517315267.db2.gz AEIQCVKAIUHLJS-UHFFFAOYSA-N 1 2 360.414 2.993 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[NH+](Cc3ccco3)CC2)c1 ZINC000538398536 517603428 /nfs/dbraw/zinc/60/34/28/517603428.db2.gz NCNYMBHNUBGJKL-UHFFFAOYSA-N 1 2 373.409 2.610 20 5 FFBDLO O=C(Nc1ccc(O)cc1)C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000549919003 517782727 /nfs/dbraw/zinc/78/27/27/517782727.db2.gz DQTRUARUSNTDMJ-UHFFFAOYSA-N 1 2 371.393 2.857 20 5 FFBDLO C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534393308 517877031 /nfs/dbraw/zinc/87/70/31/517877031.db2.gz RUXDKKNFDVBODP-SWLSCSKDSA-N 1 2 366.780 2.891 20 5 FFBDLO C[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534393308 517877042 /nfs/dbraw/zinc/87/70/42/517877042.db2.gz RUXDKKNFDVBODP-SWLSCSKDSA-N 1 2 366.780 2.891 20 5 FFBDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534393307 517878329 /nfs/dbraw/zinc/87/83/29/517878329.db2.gz RUXDKKNFDVBODP-IUODEOHRSA-N 1 2 366.780 2.891 20 5 FFBDLO C[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534393307 517878337 /nfs/dbraw/zinc/87/83/37/517878337.db2.gz RUXDKKNFDVBODP-IUODEOHRSA-N 1 2 366.780 2.891 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000534442652 517898473 /nfs/dbraw/zinc/89/84/73/517898473.db2.gz ZCVZRXGOBWKUPP-JTQLQIEISA-N 1 2 368.315 2.977 20 5 FFBDLO CO[C@@H](C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000550472254 518077169 /nfs/dbraw/zinc/07/71/69/518077169.db2.gz OLSBIWQOXSSSOG-IBGZPJMESA-N 1 2 369.421 2.740 20 5 FFBDLO CC[N@@H+]1C[C@@H](C)N(c2ncc([N+](=O)[O-])c(C)c2Br)C[C@@H]1C ZINC000543435043 518088581 /nfs/dbraw/zinc/08/85/81/518088581.db2.gz BUZFXGKMZPJDNC-VHSXEESVSA-N 1 2 357.252 2.980 20 5 FFBDLO CC[N@H+]1C[C@@H](C)N(c2ncc([N+](=O)[O-])c(C)c2Br)C[C@@H]1C ZINC000543435043 518088589 /nfs/dbraw/zinc/08/85/89/518088589.db2.gz BUZFXGKMZPJDNC-VHSXEESVSA-N 1 2 357.252 2.980 20 5 FFBDLO O=C1C[C@@H]([N@@H+]2CC[C@@H](CC(F)(F)F)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000563772060 518117782 /nfs/dbraw/zinc/11/77/82/518117782.db2.gz GDXGIKAFLHEAOY-GXFFZTMASA-N 1 2 371.315 2.501 20 5 FFBDLO O=C1C[C@@H]([N@H+]2CC[C@@H](CC(F)(F)F)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000563772060 518117787 /nfs/dbraw/zinc/11/77/87/518117787.db2.gz GDXGIKAFLHEAOY-GXFFZTMASA-N 1 2 371.315 2.501 20 5 FFBDLO O=c1[nH]c(NCc2cn3cc(Cl)ccc3[nH+]2)nc2ccc([N+](=O)[O-])cc12 ZINC000563985347 518258317 /nfs/dbraw/zinc/25/83/17/518258317.db2.gz CPQSVEVMALZPMF-UHFFFAOYSA-N 1 2 370.756 2.579 20 5 FFBDLO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCc1ccc3cn[nH]c3c1)OCCO2 ZINC000585743485 518581757 /nfs/dbraw/zinc/58/17/57/518581757.db2.gz ZXZMDQHNFJNNHA-UHFFFAOYSA-N 1 2 354.366 2.575 20 5 FFBDLO COc1ncc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1Cl ZINC000576447301 518595959 /nfs/dbraw/zinc/59/59/59/518595959.db2.gz JUIJCWLUFXRYEJ-UHFFFAOYSA-N 1 2 351.794 2.685 20 5 FFBDLO Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])C1)CCCC2 ZINC000586809439 518649504 /nfs/dbraw/zinc/64/95/04/518649504.db2.gz LKHMGQVYNXJLEK-CYBMUJFWSA-N 1 2 370.409 2.771 20 5 FFBDLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000587045587 518675187 /nfs/dbraw/zinc/67/51/87/518675187.db2.gz WNUATXMMMUAWOM-NSHDSACASA-N 1 2 354.288 2.555 20 5 FFBDLO Cc1ccc2[nH+]c(CNS(=O)(=O)c3c(C)c(C)ccc3[N+](=O)[O-])cn2c1 ZINC000579773593 518843022 /nfs/dbraw/zinc/84/30/22/518843022.db2.gz OKGICYCXRLVJRA-UHFFFAOYSA-N 1 2 374.422 2.646 20 5 FFBDLO CCn1cc([N+](=O)[O-])c(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)n1 ZINC000577090001 518909528 /nfs/dbraw/zinc/90/95/28/518909528.db2.gz AEESIIJFJNYHTG-UHFFFAOYSA-N 1 2 365.353 2.773 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)Cc2ccc3c(c2)OCO3)c1 ZINC000589495235 519018387 /nfs/dbraw/zinc/01/83/87/519018387.db2.gz KEFBNCIJDUHXEC-UHFFFAOYSA-N 1 2 358.350 2.742 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)Cc2ccc3c(c2)OCO3)c1 ZINC000589495235 519018393 /nfs/dbraw/zinc/01/83/93/519018393.db2.gz KEFBNCIJDUHXEC-UHFFFAOYSA-N 1 2 358.350 2.742 20 5 FFBDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000565786049 519132238 /nfs/dbraw/zinc/13/22/38/519132238.db2.gz ZKELKHONACLVLI-VIFPVBQESA-N 1 2 356.304 2.832 20 5 FFBDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000565786049 519132244 /nfs/dbraw/zinc/13/22/44/519132244.db2.gz ZKELKHONACLVLI-VIFPVBQESA-N 1 2 356.304 2.832 20 5 FFBDLO Cc1c(NC(=O)NCc2c[nH+]cn2C)cc(Br)cc1[N+](=O)[O-] ZINC000580380589 519143852 /nfs/dbraw/zinc/14/38/52/519143852.db2.gz SDMBZCZWINGWIS-UHFFFAOYSA-N 1 2 368.191 2.721 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1nnnn1-c1ccccc1)CCC2 ZINC000568713108 519175664 /nfs/dbraw/zinc/17/56/64/519175664.db2.gz ZFWCUBPFMKLHJC-QGZVFWFLSA-N 1 2 350.382 2.738 20 5 FFBDLO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1[nH]cc[nH+]1 ZINC000590565532 519266964 /nfs/dbraw/zinc/26/69/64/519266964.db2.gz XAHOBUVDRAKGKX-MRVPVSSYSA-N 1 2 353.176 2.500 20 5 FFBDLO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCC[NH+]1Cc2ccccc2C1 ZINC000590625961 519295261 /nfs/dbraw/zinc/29/52/61/519295261.db2.gz XRJCGAYOQKXRTI-UHFFFAOYSA-N 1 2 367.405 2.690 20 5 FFBDLO COC(=O)COc1ccc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)cc1[N+](=O)[O-] ZINC000574796745 519335253 /nfs/dbraw/zinc/33/52/53/519335253.db2.gz JUZPEHDSPWVAJW-HNNXBMFYSA-N 1 2 374.397 2.597 20 5 FFBDLO COC(=O)COc1ccc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)cc1[N+](=O)[O-] ZINC000574796745 519335259 /nfs/dbraw/zinc/33/52/59/519335259.db2.gz JUZPEHDSPWVAJW-HNNXBMFYSA-N 1 2 374.397 2.597 20 5 FFBDLO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000566271838 519404949 /nfs/dbraw/zinc/40/49/49/519404949.db2.gz ZHUINJZXUZZWFF-PBHICJAKSA-N 1 2 369.421 2.941 20 5 FFBDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000566271838 519404956 /nfs/dbraw/zinc/40/49/56/519404956.db2.gz ZHUINJZXUZZWFF-PBHICJAKSA-N 1 2 369.421 2.941 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@H]1CCCSC1 ZINC000566343011 519444243 /nfs/dbraw/zinc/44/42/43/519444243.db2.gz LKDLUKBWBCSBHN-OAHLLOKOSA-N 1 2 351.472 2.982 20 5 FFBDLO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)cc1OC ZINC000575166630 519535779 /nfs/dbraw/zinc/53/57/79/519535779.db2.gz ARCKGUPGVLNNFZ-MRXNPFEDSA-N 1 2 374.397 2.617 20 5 FFBDLO COC(=O)c1cnc(Nc2ccc(N3CCCCC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000584024070 519552022 /nfs/dbraw/zinc/55/20/22/519552022.db2.gz QEYYIBIRKUEDIS-UHFFFAOYSA-N 1 2 357.370 2.905 20 5 FFBDLO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000594508988 520007886 /nfs/dbraw/zinc/00/78/86/520007886.db2.gz GIJNULCQYTZMDD-GFCCVEGCSA-N 1 2 364.475 2.997 20 5 FFBDLO Cc1c[nH]c(CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)[nH+]1 ZINC000600106768 520049963 /nfs/dbraw/zinc/04/99/63/520049963.db2.gz HYEBYKCONVRCIM-UHFFFAOYSA-N 1 2 369.347 2.967 20 5 FFBDLO Cc1cc(C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)nn1C ZINC000592131270 520207567 /nfs/dbraw/zinc/20/75/67/520207567.db2.gz VXBHJPAWRVHUAS-IYARVYRRSA-N 1 2 358.442 2.942 20 5 FFBDLO Cc1cc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)nn1C ZINC000592131270 520207575 /nfs/dbraw/zinc/20/75/75/520207575.db2.gz VXBHJPAWRVHUAS-IYARVYRRSA-N 1 2 358.442 2.942 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC(Oc2ccccc2)C1 ZINC000609147044 520209796 /nfs/dbraw/zinc/20/97/96/520209796.db2.gz HDOAKUCANXPQJC-UHFFFAOYSA-N 1 2 364.361 2.684 20 5 FFBDLO CCn1cc(C[NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)nn1 ZINC000594971255 520234786 /nfs/dbraw/zinc/23/47/86/520234786.db2.gz CSZAIPSBMYGYPK-UHFFFAOYSA-N 1 2 357.370 2.765 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(CCO)CC1 ZINC000609312131 520271198 /nfs/dbraw/zinc/27/11/98/520271198.db2.gz FODHVIGVLRMBJC-LLVKDONJSA-N 1 2 355.822 2.670 20 5 FFBDLO Cc1nccc([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000603834334 520370318 /nfs/dbraw/zinc/37/03/18/520370318.db2.gz QRMDUBIPNSYRAX-HIFRSBDPSA-N 1 2 369.425 2.900 20 5 FFBDLO Cc1nccc([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000603834334 520370328 /nfs/dbraw/zinc/37/03/28/520370328.db2.gz QRMDUBIPNSYRAX-HIFRSBDPSA-N 1 2 369.425 2.900 20 5 FFBDLO Cc1noc(C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1[N+](=O)[O-] ZINC000595288187 520386451 /nfs/dbraw/zinc/38/64/51/520386451.db2.gz LLIFDUNZIAZQKQ-UHFFFAOYSA-N 1 2 357.370 2.784 20 5 FFBDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000592520718 520434507 /nfs/dbraw/zinc/43/45/07/520434507.db2.gz PJEMHECZBRIEKQ-SMTIMMHKSA-N 1 2 351.406 2.781 20 5 FFBDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000592520718 520434515 /nfs/dbraw/zinc/43/45/15/520434515.db2.gz PJEMHECZBRIEKQ-SMTIMMHKSA-N 1 2 351.406 2.781 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000617349970 520446194 /nfs/dbraw/zinc/44/61/94/520446194.db2.gz IPWYSQVXAJKLPY-UHFFFAOYSA-N 1 2 366.377 2.778 20 5 FFBDLO Cc1ccn2cc(CNS(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)[nH+]c2c1 ZINC000604126625 520458079 /nfs/dbraw/zinc/45/80/79/520458079.db2.gz FSCWAFZXEIANOX-UHFFFAOYSA-N 1 2 374.422 2.646 20 5 FFBDLO CCOCCCNc1ccc(-c2ccc(C(=O)OC)cc2[N+](=O)[O-])c[nH+]1 ZINC000600783675 520467414 /nfs/dbraw/zinc/46/74/14/520467414.db2.gz GJGPEPWYARBXJB-UHFFFAOYSA-N 1 2 359.382 2.704 20 5 FFBDLO O=C(NCc1cccc([N+](=O)[O-])c1)NCc1ccc[nH+]c1N1CCCC1 ZINC000595474806 520495027 /nfs/dbraw/zinc/49/50/27/520495027.db2.gz GRPYJZIWDMXMDN-UHFFFAOYSA-N 1 2 355.398 2.589 20 5 FFBDLO C[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1[nH+]ccn1C ZINC000595589864 520575750 /nfs/dbraw/zinc/57/57/50/520575750.db2.gz HBYSYEHEAVKOJJ-VIFPVBQESA-N 1 2 371.319 2.908 20 5 FFBDLO C[C@@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000598464082 520630071 /nfs/dbraw/zinc/63/00/71/520630071.db2.gz FXCXHIVNBVZKEN-ZCFIWIBFSA-N 1 2 359.205 2.643 20 5 FFBDLO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1[nH+]ccn1C ZINC000598466012 520630245 /nfs/dbraw/zinc/63/02/45/520630245.db2.gz WBHNQFVMNOMVRK-SECBINFHSA-N 1 2 367.203 2.511 20 5 FFBDLO COC(=O)[C@@H](c1cccc(OC)c1)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000595674993 520638796 /nfs/dbraw/zinc/63/87/96/520638796.db2.gz AUZAJCRBPWPKEY-GOSISDBHSA-N 1 2 374.393 2.828 20 5 FFBDLO COC(=O)[C@@H](c1cccc(OC)c1)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000595674993 520638804 /nfs/dbraw/zinc/63/88/04/520638804.db2.gz AUZAJCRBPWPKEY-GOSISDBHSA-N 1 2 374.393 2.828 20 5 FFBDLO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000613910693 520724587 /nfs/dbraw/zinc/72/45/87/520724587.db2.gz YGWFXDAYCKHWKG-UHFFFAOYSA-N 1 2 352.350 2.725 20 5 FFBDLO Cc1ccc(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)c1[N+](=O)[O-] ZINC000598607336 520738871 /nfs/dbraw/zinc/73/88/71/520738871.db2.gz JKHDFDOGCDTEEZ-ZDUSSCGKSA-N 1 2 364.427 2.503 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000598647114 520759326 /nfs/dbraw/zinc/75/93/26/520759326.db2.gz BTVWEJFRVPMZLO-GRYCIOLGSA-N 1 2 355.822 2.526 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000598647114 520759339 /nfs/dbraw/zinc/75/93/39/520759339.db2.gz BTVWEJFRVPMZLO-GRYCIOLGSA-N 1 2 355.822 2.526 20 5 FFBDLO CN(C(=O)CC[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC000596037417 520871655 /nfs/dbraw/zinc/87/16/55/520871655.db2.gz JOODNXGNXRATCJ-UHFFFAOYSA-N 1 2 355.394 2.711 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccnn2-c2cc[nH+]cc2)c1C ZINC000610855236 520874854 /nfs/dbraw/zinc/87/48/54/520874854.db2.gz GMZXPCYKLRTOBN-UHFFFAOYSA-N 1 2 373.394 2.593 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccnn2-c2cc[nH+]cc2)cc1C ZINC000610855255 520875625 /nfs/dbraw/zinc/87/56/25/520875625.db2.gz NEKXDFGMVMQUSM-UHFFFAOYSA-N 1 2 373.394 2.593 20 5 FFBDLO CC1CCN(c2ccc(CNc3ccc([N+](=O)[O-])c(C(N)=O)c3)c[nH+]2)CC1 ZINC000596080338 520900881 /nfs/dbraw/zinc/90/08/81/520900881.db2.gz HZWOVLHMJLWTQO-UHFFFAOYSA-N 1 2 369.425 2.937 20 5 FFBDLO Cc1cccc(C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)c1[N+](=O)[O-] ZINC000601726708 520921930 /nfs/dbraw/zinc/92/19/30/520921930.db2.gz FLWLVAIGSDRCPS-UHFFFAOYSA-N 1 2 355.394 2.567 20 5 FFBDLO O=c1c2c([nH]n1-c1ccc([N+](=O)[O-])cc1)CC[N@@H+](Cc1ccccc1)C2 ZINC000601933058 521033818 /nfs/dbraw/zinc/03/38/18/521033818.db2.gz ARJAYHLDJDYFFP-KRWDZBQOSA-N 1 2 350.378 2.820 20 5 FFBDLO O=c1c2c([nH]n1-c1ccc([N+](=O)[O-])cc1)CC[N@H+](Cc1ccccc1)C2 ZINC000601933058 521033826 /nfs/dbraw/zinc/03/38/26/521033826.db2.gz ARJAYHLDJDYFFP-KRWDZBQOSA-N 1 2 350.378 2.820 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[C@@]2(CC2(F)F)C1 ZINC000593521697 521047277 /nfs/dbraw/zinc/04/72/77/521047277.db2.gz OHXQMVHXRWCDQD-MRXNPFEDSA-N 1 2 353.369 2.663 20 5 FFBDLO COc1ccc([C@@H](CO)[N@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000611271832 521070540 /nfs/dbraw/zinc/07/05/40/521070540.db2.gz SXVUOXZJCRMKFV-QGZVFWFLSA-N 1 2 374.393 2.540 20 5 FFBDLO COc1ccc([C@@H](CO)[N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000611271832 521070546 /nfs/dbraw/zinc/07/05/46/521070546.db2.gz SXVUOXZJCRMKFV-QGZVFWFLSA-N 1 2 374.393 2.540 20 5 FFBDLO CC(=O)NC[C@H]1CCCCN1c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599203099 521084560 /nfs/dbraw/zinc/08/45/60/521084560.db2.gz XUTVKBICMZZKHY-QGZVFWFLSA-N 1 2 369.425 2.855 20 5 FFBDLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000602046763 521099830 /nfs/dbraw/zinc/09/98/30/521099830.db2.gz NRFJFYVSAZIQGB-ZDUSSCGKSA-N 1 2 354.288 2.874 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000602076779 521129878 /nfs/dbraw/zinc/12/98/78/521129878.db2.gz YFAJNDDJFVVOPU-CYBMUJFWSA-N 1 2 372.303 2.610 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596598805 521156425 /nfs/dbraw/zinc/15/64/25/521156425.db2.gz KYWGLNGDTRJWPL-UHFFFAOYSA-N 1 2 357.414 2.649 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596598805 521156435 /nfs/dbraw/zinc/15/64/35/521156435.db2.gz KYWGLNGDTRJWPL-UHFFFAOYSA-N 1 2 357.414 2.649 20 5 FFBDLO COc1cc(CN2CCc3[nH+]c[nH]c3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000599421330 521210121 /nfs/dbraw/zinc/21/01/21/521210121.db2.gz CQXPVAQCUZNATH-UHFFFAOYSA-N 1 2 368.340 2.529 20 5 FFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC3(CCOCC3)CC[C@H]2CO)c(F)c1 ZINC000599545511 521286866 /nfs/dbraw/zinc/28/68/66/521286866.db2.gz RJQKGINEZBRLLU-LBPRGKRZSA-N 1 2 356.369 2.627 20 5 FFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC3(CCOCC3)CC[C@H]2CO)c(F)c1 ZINC000599545511 521286876 /nfs/dbraw/zinc/28/68/76/521286876.db2.gz RJQKGINEZBRLLU-LBPRGKRZSA-N 1 2 356.369 2.627 20 5 FFBDLO O=C(N[C@@H](C1CC1)[C@H]1CCCCO1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000594069640 521387320 /nfs/dbraw/zinc/38/73/20/521387320.db2.gz CLDASKJDHQKYCE-MSOLQXFVSA-N 1 2 370.409 2.858 20 5 FFBDLO Cn1cc(C[N@H+](CCc2ccccc2)Cc2cccnc2)c([N+](=O)[O-])n1 ZINC000602654517 521460618 /nfs/dbraw/zinc/46/06/18/521460618.db2.gz COSCIWFQYAODPM-UHFFFAOYSA-N 1 2 351.410 2.968 20 5 FFBDLO Cn1cc(C[N@@H+](CCc2ccccc2)Cc2cccnc2)c([N+](=O)[O-])n1 ZINC000602654517 521460625 /nfs/dbraw/zinc/46/06/25/521460625.db2.gz COSCIWFQYAODPM-UHFFFAOYSA-N 1 2 351.410 2.968 20 5 FFBDLO O=C1CC[C@H]2C[N@H+](Cc3cc(Br)c([N+](=O)[O-])s3)CC[C@@H]2N1 ZINC000602706731 521486610 /nfs/dbraw/zinc/48/66/10/521486610.db2.gz DLNQIYZFIMSKKO-KWQFWETISA-N 1 2 374.260 2.519 20 5 FFBDLO O=C1CC[C@H]2C[N@@H+](Cc3cc(Br)c([N+](=O)[O-])s3)CC[C@@H]2N1 ZINC000602706731 521486623 /nfs/dbraw/zinc/48/66/23/521486623.db2.gz DLNQIYZFIMSKKO-KWQFWETISA-N 1 2 374.260 2.519 20 5 FFBDLO Nc1c(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597094929 521502014 /nfs/dbraw/zinc/50/20/14/521502014.db2.gz KZCCCHYAQBXPBC-NSHDSACASA-N 1 2 364.793 2.896 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597102240 521507425 /nfs/dbraw/zinc/50/74/25/521507425.db2.gz VXUNNRJEUOKYLP-VIFPVBQESA-N 1 2 364.793 2.585 20 5 FFBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cccc(OC3CC3)c2F)CC1 ZINC000597148357 521538020 /nfs/dbraw/zinc/53/80/20/521538020.db2.gz CGGSYYYURQVMPG-UHFFFAOYSA-N 1 2 372.400 2.992 20 5 FFBDLO O=C(NCCNc1ccc2ccccc2[nH+]1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506490997 561700024 /nfs/dbraw/zinc/70/00/24/561700024.db2.gz ZVFCMNBEJATPFV-UHFFFAOYSA-N 1 2 352.350 2.691 20 5 FFBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000738359011 598315779 /nfs/dbraw/zinc/31/57/79/598315779.db2.gz IEIWWBRGYBJKBT-UHFFFAOYSA-N 1 2 362.752 2.857 20 5 FFBDLO O=[N+]([O-])c1cccc(CS(=O)(=O)Oc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000154141104 728796877 /nfs/dbraw/zinc/79/68/77/728796877.db2.gz YOSUMIUGRDCLOI-UHFFFAOYSA-N 1 2 359.363 2.689 20 5 FFBDLO Cn1c(Cl)cnc1C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000130083743 728715016 /nfs/dbraw/zinc/71/50/16/728715016.db2.gz RZGAMPZMSWEUGB-UHFFFAOYSA-N 1 2 369.784 2.581 20 5 FFBDLO Cn1c(Cl)cnc1C[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000130083743 728715017 /nfs/dbraw/zinc/71/50/17/728715017.db2.gz RZGAMPZMSWEUGB-UHFFFAOYSA-N 1 2 369.784 2.581 20 5 FFBDLO CC(C)(C)OC(=O)[C@]1(C)CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000859381757 730452764 /nfs/dbraw/zinc/45/27/64/730452764.db2.gz WENXAZVEJKBGED-YJBOKZPZSA-N 1 2 350.415 2.824 20 5 FFBDLO CC(C)(C)OC(=O)[C@]1(C)CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000859381757 730452766 /nfs/dbraw/zinc/45/27/66/730452766.db2.gz WENXAZVEJKBGED-YJBOKZPZSA-N 1 2 350.415 2.824 20 5 FFBDLO Cn1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3C(F)F)CC2)cn1 ZINC000865522985 730965774 /nfs/dbraw/zinc/96/57/74/730965774.db2.gz YWWDSPQPSIUUNO-UHFFFAOYSA-N 1 2 351.357 2.588 20 5 FFBDLO O=C1CC2(CN1)CC[NH+](Cc1cc(Br)c([N+](=O)[O-])s1)CC2 ZINC000876744217 732275670 /nfs/dbraw/zinc/27/56/70/732275670.db2.gz SWZBGDDEPKZJEZ-UHFFFAOYSA-N 1 2 374.260 2.521 20 5 FFBDLO NC(=O)Cc1cccc2c1CC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000877680532 732413259 /nfs/dbraw/zinc/41/32/59/732413259.db2.gz ZMKWMVLDSLUSMF-UHFFFAOYSA-N 1 2 359.813 2.834 20 5 FFBDLO NC(=O)Cc1cccc2c1CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000877680532 732413262 /nfs/dbraw/zinc/41/32/62/732413262.db2.gz ZMKWMVLDSLUSMF-UHFFFAOYSA-N 1 2 359.813 2.834 20 5 FFBDLO O=C(C[N@@H+]1CC[C@H](CF)C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000880297727 732882897 /nfs/dbraw/zinc/88/28/97/732882897.db2.gz PODBMSPCVQZUOO-LLVKDONJSA-N 1 2 364.402 2.948 20 5 FFBDLO O=C(C[N@H+]1CC[C@H](CF)C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000880297727 732882900 /nfs/dbraw/zinc/88/29/00/732882900.db2.gz PODBMSPCVQZUOO-LLVKDONJSA-N 1 2 364.402 2.948 20 5 FFBDLO O=C(OCCCn1cc[nH+]c1)c1cc([N+](=O)[O-])ccc1Br ZINC000783354341 738801600 /nfs/dbraw/zinc/80/16/00/738801600.db2.gz DSICSQQROBQCBC-UHFFFAOYSA-N 1 2 354.160 2.801 20 5 FFBDLO C[C@]12CSC[C@H]1CN(C(=O)c1ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c1)C2 ZINC000891177216 734390176 /nfs/dbraw/zinc/39/01/76/734390176.db2.gz DWJSOQQLAVETIX-DYVFJYSZSA-N 1 2 358.423 2.606 20 5 FFBDLO COc1c(O)ccc(CN2CC[NH+](Cc3ccsc3)CC2)c1[N+](=O)[O-] ZINC000891527069 734441101 /nfs/dbraw/zinc/44/11/01/734441101.db2.gz FIOUNZJVUAONCS-UHFFFAOYSA-N 1 2 363.439 2.688 20 5 FFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@@H](CCO)C1 ZINC000735870815 734964456 /nfs/dbraw/zinc/96/44/56/734964456.db2.gz FKPWJVJCVTUFDJ-RYUDHWBXSA-N 1 2 355.822 2.670 20 5 FFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@@H](CCO)C1 ZINC000735870815 734964460 /nfs/dbraw/zinc/96/44/60/734964460.db2.gz FKPWJVJCVTUFDJ-RYUDHWBXSA-N 1 2 355.822 2.670 20 5 FFBDLO Cc1ccc(N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)c([N+](=O)[O-])c1Br ZINC000895246309 734980691 /nfs/dbraw/zinc/98/06/91/734980691.db2.gz MWCVBCVQPKMANI-YPMHNXCESA-N 1 2 371.279 2.712 20 5 FFBDLO Cc1ccc(N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)c([N+](=O)[O-])c1Br ZINC000895246309 734980694 /nfs/dbraw/zinc/98/06/94/734980694.db2.gz MWCVBCVQPKMANI-YPMHNXCESA-N 1 2 371.279 2.712 20 5 FFBDLO CCOC(=O)N1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OCC)CC1 ZINC000747529723 735569130 /nfs/dbraw/zinc/56/91/30/735569130.db2.gz YEWYTNPHORUJCY-UHFFFAOYSA-N 1 2 351.403 2.658 20 5 FFBDLO CCOC(=O)N1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OCC)CC1 ZINC000747529723 735569132 /nfs/dbraw/zinc/56/91/32/735569132.db2.gz YEWYTNPHORUJCY-UHFFFAOYSA-N 1 2 351.403 2.658 20 5 FFBDLO O=C(NCCCn1cc[nH+]c1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000754640554 736181940 /nfs/dbraw/zinc/18/19/40/736181940.db2.gz KSULUZRPOCLHFG-UHFFFAOYSA-N 1 2 371.166 2.513 20 5 FFBDLO Cc1nn(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000760409376 736636913 /nfs/dbraw/zinc/63/69/13/736636913.db2.gz SLRNCQIGJKBBLK-AWEZNQCLSA-N 1 2 352.435 2.809 20 5 FFBDLO Cc1nn(C[N@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000760409376 736636915 /nfs/dbraw/zinc/63/69/15/736636915.db2.gz SLRNCQIGJKBBLK-AWEZNQCLSA-N 1 2 352.435 2.809 20 5 FFBDLO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000769484960 737534539 /nfs/dbraw/zinc/53/45/39/737534539.db2.gz XVWVZOKJIIYOBV-NSHDSACASA-N 1 2 357.204 2.885 20 5 FFBDLO COC(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000769484960 737534543 /nfs/dbraw/zinc/53/45/43/737534543.db2.gz XVWVZOKJIIYOBV-NSHDSACASA-N 1 2 357.204 2.885 20 5 FFBDLO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1cccc(S(N)(=O)=O)c1 ZINC000774457579 737991903 /nfs/dbraw/zinc/99/19/03/737991903.db2.gz JMPINFDGNKDNRP-SNVBAGLBSA-N 1 2 369.830 2.746 20 5 FFBDLO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CCS[C@H]4COCC[C@H]43)c2c(Cl)c1 ZINC000774640398 738008678 /nfs/dbraw/zinc/00/86/78/738008678.db2.gz RYIRGKJEYJDXJH-KGLIPLIRSA-N 1 2 368.846 2.762 20 5 FFBDLO O=[N+]([O-])c1cc2cnn(C[N@H+]3CCS[C@H]4COCC[C@H]43)c2c(Cl)c1 ZINC000774640398 738008680 /nfs/dbraw/zinc/00/86/80/738008680.db2.gz RYIRGKJEYJDXJH-KGLIPLIRSA-N 1 2 368.846 2.762 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000774903215 738038635 /nfs/dbraw/zinc/03/86/35/738038635.db2.gz JDMYONFFRSBSFD-ZDUSSCGKSA-N 1 2 363.292 2.638 20 5 FFBDLO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C)o2)cc1[N+](=O)[O-] ZINC000775549292 738100818 /nfs/dbraw/zinc/10/08/18/738100818.db2.gz NHRGIVMOSSIJRR-GFCCVEGCSA-N 1 2 367.427 2.597 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC1 ZINC000929262508 738961859 /nfs/dbraw/zinc/96/18/59/738961859.db2.gz SUAAAYAKSVGDKQ-ZSBIGDGJSA-N 1 2 371.409 2.705 20 5 FFBDLO O=C(C[N@@H+]1CCC[C@H](Cc2nccs2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000932195244 739402928 /nfs/dbraw/zinc/40/29/28/739402928.db2.gz AFIMDQTUXYRIPW-CYBMUJFWSA-N 1 2 360.439 2.945 20 5 FFBDLO O=C(C[N@H+]1CCC[C@H](Cc2nccs2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000932195244 739402932 /nfs/dbraw/zinc/40/29/32/739402932.db2.gz AFIMDQTUXYRIPW-CYBMUJFWSA-N 1 2 360.439 2.945 20 5 FFBDLO CCOc1cc(C[N@@H+]2CCOC[C@@H]2C[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000933681599 739672235 /nfs/dbraw/zinc/67/22/35/739672235.db2.gz PQSVICDFNHQCCU-JKSUJKDBSA-N 1 2 350.415 2.763 20 5 FFBDLO CCOc1cc(C[N@H+]2CCOC[C@@H]2C[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000933681599 739672237 /nfs/dbraw/zinc/67/22/37/739672237.db2.gz PQSVICDFNHQCCU-JKSUJKDBSA-N 1 2 350.415 2.763 20 5 FFBDLO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1)C(F)(F)F ZINC000810066670 741380621 /nfs/dbraw/zinc/38/06/21/741380621.db2.gz OHXWWLBKSCMTEM-JTQLQIEISA-N 1 2 363.311 2.624 20 5 FFBDLO O=C(NC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1)C(F)(F)F ZINC000810066670 741380625 /nfs/dbraw/zinc/38/06/25/741380625.db2.gz OHXWWLBKSCMTEM-JTQLQIEISA-N 1 2 363.311 2.624 20 5 FFBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(Cl)cc1 ZINC001039583780 742993451 /nfs/dbraw/zinc/99/34/51/742993451.db2.gz VSKQEPBBKNIMHZ-YYIAUSFCSA-N 1 2 363.845 2.571 20 5 FFBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)cc1 ZINC001039583780 742993454 /nfs/dbraw/zinc/99/34/54/742993454.db2.gz VSKQEPBBKNIMHZ-YYIAUSFCSA-N 1 2 363.845 2.571 20 5 FFBDLO Cc1nnc([C@@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3Br)C2)[nH]1 ZINC000839660244 746884955 /nfs/dbraw/zinc/88/49/55/746884955.db2.gz DEUXHRJTQSZNAI-LLVKDONJSA-N 1 2 366.219 2.773 20 5 FFBDLO Cc1nnc([C@@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3Br)C2)[nH]1 ZINC000839660244 746884961 /nfs/dbraw/zinc/88/49/61/746884961.db2.gz DEUXHRJTQSZNAI-LLVKDONJSA-N 1 2 366.219 2.773 20 5 FFBDLO Cc1n[nH]c([C@@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3Br)C2)n1 ZINC000839660244 746884965 /nfs/dbraw/zinc/88/49/65/746884965.db2.gz DEUXHRJTQSZNAI-LLVKDONJSA-N 1 2 366.219 2.773 20 5 FFBDLO Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3Br)C2)n1 ZINC000839660244 746884972 /nfs/dbraw/zinc/88/49/72/746884972.db2.gz DEUXHRJTQSZNAI-LLVKDONJSA-N 1 2 366.219 2.773 20 5 FFBDLO CC(C)[N@@H+](Cc1cccc([N+](=O)[O-])c1Br)C[C@H]1CCC(=O)N1 ZINC000839668649 746886936 /nfs/dbraw/zinc/88/69/36/746886936.db2.gz FCCHVCSEXWRPHH-GFCCVEGCSA-N 1 2 370.247 2.846 20 5 FFBDLO CC(C)[N@H+](Cc1cccc([N+](=O)[O-])c1Br)C[C@H]1CCC(=O)N1 ZINC000839668649 746886943 /nfs/dbraw/zinc/88/69/43/746886943.db2.gz FCCHVCSEXWRPHH-GFCCVEGCSA-N 1 2 370.247 2.846 20 5 FFBDLO 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COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCc1cc(C)[nH+]c(C)c1 ZINC000817124720 1007434370 /nfs/dbraw/zinc/43/43/70/1007434370.db2.gz USTSBHBXLPZMKQ-UHFFFAOYSA-N 1 2 360.326 2.914 20 5 FFBDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000819905787 1008247447 /nfs/dbraw/zinc/24/74/47/1008247447.db2.gz WBBPVPLKFIRHOJ-UHFFFAOYSA-N 1 2 361.308 2.752 20 5 FFBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1coc(C[NH+](C)C)n1 ZINC001179127830 1009265909 /nfs/dbraw/zinc/26/59/09/1009265909.db2.gz AGOSRYFWZXVIRK-CQSZACIVSA-N 1 2 360.414 2.530 20 5 FFBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861670806 1009506018 /nfs/dbraw/zinc/50/60/18/1009506018.db2.gz QZKUREGKFHFGGI-RHSMWYFYSA-N 1 2 369.421 2.683 20 5 FFBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCn2nc(C(F)(F)F)nc2C1 ZINC001173229161 1012363239 /nfs/dbraw/zinc/36/32/39/1012363239.db2.gz QVYYUITYTVZYFH-JTQLQIEISA-N 1 2 355.320 2.652 20 5 FFBDLO 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C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1C(=O)N[C@@](C)(C2CCCC2)C1=O ZINC000802741566 1020373427 /nfs/dbraw/zinc/37/34/27/1020373427.db2.gz PZKUQVHSNFLRKL-IBGZPJMESA-N 1 2 374.441 2.527 20 5 FFBDLO COc1c(C)c[nH+]c(CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c1C ZINC000801004815 1020698609 /nfs/dbraw/zinc/69/86/09/1020698609.db2.gz UFKSJFRKGIPSLL-UHFFFAOYSA-N 1 2 372.425 2.999 20 5 FFBDLO CCCSc1nc(O[C@@H]2CCC[C@]23CC[NH2+]C3)c([N+](=O)[O-])c(=O)[nH]1 ZINC001218091465 1032989098 /nfs/dbraw/zinc/98/90/98/1032989098.db2.gz KHOVGIBIRUIRNU-MEBBXXQBSA-N 1 2 354.432 2.504 20 5 FFBDLO O=C(N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001118829267 1022427039 /nfs/dbraw/zinc/42/70/39/1022427039.db2.gz IOQXJMVDVPPHSE-FRRDWIJNSA-N 1 2 362.336 2.944 20 5 FFBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)cc1 ZINC000755274192 1023586764 /nfs/dbraw/zinc/58/67/64/1023586764.db2.gz WFLPXEJSRALVDL-VQTJNVASSA-N 1 2 356.422 2.962 20 5 FFBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCO[C@@H](CCc3ccccc3)C2)cc1 ZINC000755274192 1023586769 /nfs/dbraw/zinc/58/67/69/1023586769.db2.gz WFLPXEJSRALVDL-VQTJNVASSA-N 1 2 356.422 2.962 20 5 FFBDLO O=C(N[C@H]1CCOCC12CCCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001124087768 1024276853 /nfs/dbraw/zinc/27/68/53/1024276853.db2.gz IERJOYDKFKFHBW-KRWDZBQOSA-N 1 2 370.409 2.860 20 5 FFBDLO C[C@@H]1C[N@H+](C2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C2)C[C@H](C)O1 ZINC001158727363 1027111802 /nfs/dbraw/zinc/11/18/02/1027111802.db2.gz XRDJNNVNIJDBTI-GASCZTMLSA-N 1 2 368.437 2.955 20 5 FFBDLO C[C@@H]1C[N@@H+](C2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C2)C[C@H](C)O1 ZINC001158727363 1027111814 /nfs/dbraw/zinc/11/18/14/1027111814.db2.gz XRDJNNVNIJDBTI-GASCZTMLSA-N 1 2 368.437 2.955 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC001160722136 1027826989 /nfs/dbraw/zinc/82/69/89/1027826989.db2.gz FCHCHHIKSFSQFO-GHMZBOCLSA-N 1 2 361.229 2.962 20 5 FFBDLO CCOC(=O)C[NH+]1CCC(Nc2ccc3cccc([N+](=O)[O-])c3n2)CC1 ZINC001161082993 1028004375 /nfs/dbraw/zinc/00/43/75/1028004375.db2.gz NLBRXAFAJVCBHK-UHFFFAOYSA-N 1 2 358.398 2.582 20 5 FFBDLO CCOC(=O)C[NH+]1CCC(Nc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC001161087760 1028007116 /nfs/dbraw/zinc/00/71/16/1028007116.db2.gz REVBHYJBHRWRAA-UHFFFAOYSA-N 1 2 358.398 2.582 20 5 FFBDLO Cc1[nH]c([C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[nH+]c1C ZINC001155173194 1028612189 /nfs/dbraw/zinc/61/21/89/1028612189.db2.gz CMYIEHWBVOPSSC-CQSZACIVSA-N 1 2 359.342 2.820 20 5 FFBDLO Cc1nc(Cl)nc(N[C@@H](C[NH+]2CCOCC2)C(C)(C)C)c1[N+](=O)[O-] ZINC001162877689 1028691100 /nfs/dbraw/zinc/69/11/00/1028691100.db2.gz NAOGXUITWKEEBF-NSHDSACASA-N 1 2 357.842 2.505 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]C[C@](C)(O)c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000780764742 1028801858 /nfs/dbraw/zinc/80/18/58/1028801858.db2.gz PROUHYZWULXYIA-WMZOPIPTSA-N 1 2 372.450 2.977 20 5 FFBDLO O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cccc2[nH+]ccn21 ZINC000781685299 1029346957 /nfs/dbraw/zinc/34/69/57/1029346957.db2.gz WLILJMPMENJDDS-UHFFFAOYSA-N 1 2 355.310 2.722 20 5 FFBDLO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001149535139 1031534179 /nfs/dbraw/zinc/53/41/79/1031534179.db2.gz MQGCLGQHTMTRCX-MRXNPFEDSA-N 1 2 360.801 2.617 20 5 FFBDLO COC(=O)c1cc([N+](=O)[O-])ccc1COC1C[NH+](Cc2ccccc2)C1 ZINC001223449351 1033448593 /nfs/dbraw/zinc/44/85/93/1033448593.db2.gz ANWSQJISAONRBD-UHFFFAOYSA-N 1 2 356.378 2.782 20 5 FFBDLO COC(=O)c1cccc(COC2C[NH+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001223663812 1033541801 /nfs/dbraw/zinc/54/18/01/1033541801.db2.gz BWUFBIRWDMLLJX-UHFFFAOYSA-N 1 2 356.378 2.782 20 5 FFBDLO C[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])cc2I)C1 ZINC001226031347 1034499509 /nfs/dbraw/zinc/49/95/09/1034499509.db2.gz AHMUEIOINPPKRT-JTQLQIEISA-N 1 2 362.167 2.672 20 5 FFBDLO C[N@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])cc2I)C1 ZINC001226031347 1034499516 /nfs/dbraw/zinc/49/95/16/1034499516.db2.gz AHMUEIOINPPKRT-JTQLQIEISA-N 1 2 362.167 2.672 20 5 FFBDLO O=[N+]([O-])c1ccc(O[C@H]2C[NH+]3CCC2CC3)c(I)c1 ZINC001226035262 1034499758 /nfs/dbraw/zinc/49/97/58/1034499758.db2.gz XPRLSJDJBAYRMP-ZDUSSCGKSA-N 1 2 374.178 2.672 20 5 FFBDLO COC(=O)c1cc(Br)c(O[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001226268389 1034603224 /nfs/dbraw/zinc/60/32/24/1034603224.db2.gz RFPOZHCUSMOFMK-SNVBAGLBSA-N 1 2 373.203 2.617 20 5 FFBDLO COC(=O)c1cc(Br)c(O[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001226268389 1034603228 /nfs/dbraw/zinc/60/32/28/1034603228.db2.gz RFPOZHCUSMOFMK-SNVBAGLBSA-N 1 2 373.203 2.617 20 5 FFBDLO C[C@@H](OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1nc(C2CC2)no1 ZINC000835302063 1035675044 /nfs/dbraw/zinc/67/50/44/1035675044.db2.gz BEDUSTIRKUJVPH-SNVBAGLBSA-N 1 2 369.337 2.959 20 5 FFBDLO CO[C@@H]1C[C@H](OC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C12CCC2 ZINC000835873103 1036058824 /nfs/dbraw/zinc/05/88/24/1036058824.db2.gz JCUXZQRYPSIHTG-CVEARBPZSA-N 1 2 357.366 2.895 20 5 FFBDLO O=[N+]([O-])c1ccc(I)c(O[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001229836423 1036925631 /nfs/dbraw/zinc/92/56/31/1036925631.db2.gz UOEPAAPMCCEUIA-CYBMUJFWSA-N 1 2 374.178 2.672 20 5 FFBDLO O=[N+]([O-])c1ccc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(Cl)n1 ZINC001229915554 1036978915 /nfs/dbraw/zinc/97/89/15/1036978915.db2.gz QOOAQXIEWFMQOU-AWEZNQCLSA-N 1 2 363.801 2.923 20 5 FFBDLO O=[N+]([O-])c1ccc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(Cl)n1 ZINC001229915554 1036978931 /nfs/dbraw/zinc/97/89/31/1036978931.db2.gz QOOAQXIEWFMQOU-AWEZNQCLSA-N 1 2 363.801 2.923 20 5 FFBDLO COCc1ccnc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC001277901873 1037213580 /nfs/dbraw/zinc/21/35/80/1037213580.db2.gz ZWKRPKDFTHRDIM-UHFFFAOYSA-N 1 2 353.338 2.574 20 5 FFBDLO CO[C@@H]1CC[N@H+](CCOc2c(Br)cc(F)cc2[N+](=O)[O-])C1 ZINC001230935344 1037411166 /nfs/dbraw/zinc/41/11/66/1037411166.db2.gz AUTPMSXOGNRFIM-SNVBAGLBSA-N 1 2 363.183 2.596 20 5 FFBDLO CO[C@@H]1CC[N@@H+](CCOc2c(Br)cc(F)cc2[N+](=O)[O-])C1 ZINC001230935344 1037411177 /nfs/dbraw/zinc/41/11/77/1037411177.db2.gz AUTPMSXOGNRFIM-SNVBAGLBSA-N 1 2 363.183 2.596 20 5 FFBDLO Cc1c(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2cccnc2)cccc1[N+](=O)[O-] ZINC001255690659 1038130578 /nfs/dbraw/zinc/13/05/78/1038130578.db2.gz WUKVEFSINGUULJ-LJQANCHMSA-N 1 2 368.437 2.969 20 5 FFBDLO Cc1c(CNC(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)cccc1[N+](=O)[O-] ZINC001255690659 1038130581 /nfs/dbraw/zinc/13/05/81/1038130581.db2.gz WUKVEFSINGUULJ-LJQANCHMSA-N 1 2 368.437 2.969 20 5 FFBDLO Cc1c(Nc2ccc(N3CCOCC3)[nH+]c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001211292489 1040065824 /nfs/dbraw/zinc/06/58/24/1040065824.db2.gz LYKCDCPZUVIITP-UHFFFAOYSA-N 1 2 359.342 2.787 20 5 FFBDLO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2[NH2+]CCc3cc(F)ccc32)n1 ZINC001249196395 1040621687 /nfs/dbraw/zinc/62/16/87/1040621687.db2.gz XRTLXROFEIQEIN-ZDUSSCGKSA-N 1 2 359.292 2.553 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCO[C@@H](C(F)(F)F)C3)CC2)cc1 ZINC001254479860 1040744927 /nfs/dbraw/zinc/74/49/27/1040744927.db2.gz NWAYHUODNIFIBT-OAHLLOKOSA-N 1 2 359.348 2.827 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CCO[C@@H](C(F)(F)F)C3)CC2)cc1 ZINC001254479860 1040744943 /nfs/dbraw/zinc/74/49/43/1040744943.db2.gz NWAYHUODNIFIBT-OAHLLOKOSA-N 1 2 359.348 2.827 20 5 FFBDLO CC(C)(C)OC(=O)N1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)[C@H]2C[C@H]21 ZINC001254594029 1040823172 /nfs/dbraw/zinc/82/31/72/1040823172.db2.gz PLYGRFIZQFWBGA-IXDOHACOSA-N 1 2 359.426 2.756 20 5 FFBDLO CC(C)(C)OC(=O)N1CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)[C@H]2C[C@H]21 ZINC001254594029 1040823176 /nfs/dbraw/zinc/82/31/76/1040823176.db2.gz PLYGRFIZQFWBGA-IXDOHACOSA-N 1 2 359.426 2.756 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCn3c(Br)cnc3C1)C2 ZINC001254600929 1040832966 /nfs/dbraw/zinc/83/29/66/1040832966.db2.gz SJHLEHVYPXAGNA-ZDUSSCGKSA-N 1 2 363.215 2.537 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCn3c(Br)cnc3C1)C2 ZINC001254600929 1040832972 /nfs/dbraw/zinc/83/29/72/1040832972.db2.gz SJHLEHVYPXAGNA-ZDUSSCGKSA-N 1 2 363.215 2.537 20 5 FFBDLO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC001310518835 1043700285 /nfs/dbraw/zinc/70/02/85/1043700285.db2.gz KDVWVRXSHDMGNV-UHFFFAOYSA-N 1 2 372.429 2.641 20 5 FFBDLO C[C@@H](CC(=O)OC(C)(C)C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001318448957 1045302802 /nfs/dbraw/zinc/30/28/02/1045302802.db2.gz CTLHKWZUCRJYKX-LBPRGKRZSA-N 1 2 374.397 2.631 20 5 FFBDLO O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001328274516 1048244847 /nfs/dbraw/zinc/24/48/47/1048244847.db2.gz QMQFLXNJLXMZOZ-GOSISDBHSA-N 1 2 354.410 2.661 20 5 FFBDLO O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001328274516 1048244851 /nfs/dbraw/zinc/24/48/51/1048244851.db2.gz QMQFLXNJLXMZOZ-GOSISDBHSA-N 1 2 354.410 2.661 20 5 FFBDLO Cc1cccn2cc(CC(=O)NCc3cc([N+](=O)[O-])c(F)cc3F)[nH+]c12 ZINC001299931555 1050639789 /nfs/dbraw/zinc/63/97/89/1050639789.db2.gz ATDIBXRTSHLAFR-UHFFFAOYSA-N 1 2 360.320 2.688 20 5 FFBDLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC001303313034 1051326711 /nfs/dbraw/zinc/32/67/11/1051326711.db2.gz BWMGCYMPVGGPGC-QGZVFWFLSA-N 1 2 374.416 2.982 20 5 FFBDLO Cc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccnc2)c(N)c1[N+](=O)[O-] ZINC001304501220 1051625995 /nfs/dbraw/zinc/62/59/95/1051625995.db2.gz RVKSHOABUBSAHK-INIZCTEOSA-N 1 2 369.425 2.874 20 5 FFBDLO Cc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)c(N)c1[N+](=O)[O-] ZINC001304501220 1051626002 /nfs/dbraw/zinc/62/60/02/1051626002.db2.gz RVKSHOABUBSAHK-INIZCTEOSA-N 1 2 369.425 2.874 20 5 FFBDLO Cc1ccc(NC(=O)[C@@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(N)c1[N+](=O)[O-] ZINC001304500302 1051626108 /nfs/dbraw/zinc/62/61/08/1051626108.db2.gz JZHRMPGHXJGERT-DVOMOZLQSA-N 1 2 364.446 2.558 20 5 FFBDLO Cc1ccc(NC(=O)[C@@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(N)c1[N+](=O)[O-] ZINC001304500302 1051626110 /nfs/dbraw/zinc/62/61/10/1051626110.db2.gz JZHRMPGHXJGERT-DVOMOZLQSA-N 1 2 364.446 2.558 20 5 FFBDLO CC(C)(C)OC(=O)C[NH+]1CCC(Nc2c(F)cccc2[N+](=O)[O-])CC1 ZINC001307188100 1052263007 /nfs/dbraw/zinc/26/30/07/1052263007.db2.gz BLJRLARXVAOQPS-UHFFFAOYSA-N 1 2 353.394 2.952 20 5 FFBDLO Cc1noc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1[N+](=O)[O-] ZINC001308034821 1052388661 /nfs/dbraw/zinc/38/86/61/1052388661.db2.gz MWWNEGDBYMRHRF-BXUZGUMPSA-N 1 2 359.304 2.515 20 5 FFBDLO Cc1cc(NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)c(C)c[nH+]1 ZINC001358142161 1056160066 /nfs/dbraw/zinc/16/00/66/1056160066.db2.gz VVKWSMZIESCBPV-UHFFFAOYSA-N 1 2 351.366 2.526 20 5 FFBDLO C[C@@H](CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)Cn1cc[nH+]c1 ZINC001544229777 1071616199 /nfs/dbraw/zinc/61/61/99/1071616199.db2.gz FKLNESKVMHBXFL-LBPRGKRZSA-N 1 2 353.382 2.593 20 5 FFBDLO O=C(Nc1cccc2nccnc21)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001544977934 1071718412 /nfs/dbraw/zinc/71/84/12/1071718412.db2.gz XNTIUGGVTARRSL-UHFFFAOYSA-N 1 2 360.333 2.976 20 5 FFBDLO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c2ccccc12)[C@H]1CN(C)CC[N@@H+]1C ZINC001517886775 1058189895 /nfs/dbraw/zinc/18/98/95/1058189895.db2.gz BEPPJRRCCDGVEF-FZKQIMNGSA-N 1 2 371.441 2.504 20 5 FFBDLO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c2ccccc12)[C@H]1CN(C)CC[N@H+]1C ZINC001517886775 1058189898 /nfs/dbraw/zinc/18/98/98/1058189898.db2.gz BEPPJRRCCDGVEF-FZKQIMNGSA-N 1 2 371.441 2.504 20 5 FFBDLO COc1cccc([C@@H]2CN(C(=O)c3c(C)c(F)ccc3[N+](=O)[O-])CC[NH2+]2)c1 ZINC001353776690 1058204442 /nfs/dbraw/zinc/20/44/42/1058204442.db2.gz DDCTUVLNZZBTDN-INIZCTEOSA-N 1 2 373.384 2.838 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccc(O)c(F)c3F)C2)nc1 ZINC001461869733 1061432974 /nfs/dbraw/zinc/43/29/74/1061432974.db2.gz KNMZYIFJDDIYPF-NSHDSACASA-N 1 2 350.325 2.660 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc(O)c(F)c3F)C2)nc1 ZINC001461869733 1061432981 /nfs/dbraw/zinc/43/29/81/1061432981.db2.gz KNMZYIFJDDIYPF-NSHDSACASA-N 1 2 350.325 2.660 20 5 FFBDLO O=C(Nc1cccc2nccnc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001462323951 1061583053 /nfs/dbraw/zinc/58/30/53/1061583053.db2.gz RTCMRXWYWCXTTH-UHFFFAOYSA-N 1 2 360.333 2.976 20 5 FFBDLO COc1c(O)ccc(C[NH+]2CCN(c3cccc(F)c3)CC2)c1[N+](=O)[O-] ZINC001462519526 1061655596 /nfs/dbraw/zinc/65/55/96/1061655596.db2.gz ZQRFQWNREJVMRS-UHFFFAOYSA-N 1 2 361.373 2.770 20 5 FFBDLO Cc1cc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)cc(C)[nH+]1 ZINC001529391777 1062296286 /nfs/dbraw/zinc/29/62/86/1062296286.db2.gz YGSUCNMWYGHYAK-UHFFFAOYSA-N 1 2 351.366 2.722 20 5 FFBDLO Cc1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)c(N(C)C)[nH+]1 ZINC001435641298 1062530126 /nfs/dbraw/zinc/53/01/26/1062530126.db2.gz ABXAMNCQDJBULO-UHFFFAOYSA-N 1 2 372.381 2.778 20 5 FFBDLO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3O)C2)c1 ZINC001470713470 1064423295 /nfs/dbraw/zinc/42/32/95/1064423295.db2.gz QETKVNXOXAIVCJ-OAHLLOKOSA-N 1 2 355.394 2.613 20 5 FFBDLO Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3O)C2)c1 ZINC001470713470 1064423297 /nfs/dbraw/zinc/42/32/97/1064423297.db2.gz QETKVNXOXAIVCJ-OAHLLOKOSA-N 1 2 355.394 2.613 20 5 FFBDLO O=C(Nc1cnn(C2CCC2)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001472077378 1064920077 /nfs/dbraw/zinc/92/00/77/1064920077.db2.gz QICNBOFRAQMGKG-UHFFFAOYSA-N 1 2 352.354 2.954 20 5 FFBDLO COCC[N@H+](CCC(=O)OC(C)(C)C)Cc1c(F)cccc1[N+](=O)[O-] ZINC001560210152 1076247439 /nfs/dbraw/zinc/24/74/39/1076247439.db2.gz MHQDOONECWMWGA-UHFFFAOYSA-N 1 2 356.394 2.914 20 5 FFBDLO COCC[N@@H+](CCC(=O)OC(C)(C)C)Cc1c(F)cccc1[N+](=O)[O-] ZINC001560210152 1076247442 /nfs/dbraw/zinc/24/74/42/1076247442.db2.gz MHQDOONECWMWGA-UHFFFAOYSA-N 1 2 356.394 2.914 20 5 FFBDLO Cc1[nH]c([C@H]2CCCN2S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[nH+]c1C ZINC001561921590 1076445971 /nfs/dbraw/zinc/44/59/71/1076445971.db2.gz LMKGYGOCMHHHHM-CQSZACIVSA-N 1 2 364.427 2.769 20 5 FFBDLO CN(Cc1cccc(O)c1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001566303517 1076943770 /nfs/dbraw/zinc/94/37/70/1076943770.db2.gz QQFNZZQXEDVELB-UHFFFAOYSA-N 1 2 352.350 2.758 20 5 FFBDLO COc1cccc(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000007683533 249308466 /nfs/dbraw/zinc/30/84/66/249308466.db2.gz PURGYKSBSOTPHV-UHFFFAOYSA-N 1 2 359.382 2.683 20 5 FFBDLO COc1cccc(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000007683533 249308470 /nfs/dbraw/zinc/30/84/70/249308470.db2.gz PURGYKSBSOTPHV-UHFFFAOYSA-N 1 2 359.382 2.683 20 5 FFBDLO Cn1c2ccc(NC(=O)CCn3cc([N+](=O)[O-])cn3)cc2[nH+]c1C1CC1 ZINC000089869334 249868122 /nfs/dbraw/zinc/86/81/22/249868122.db2.gz GYHVZIRSAPAOSO-UHFFFAOYSA-N 1 2 354.370 2.584 20 5 FFBDLO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000101864573 250092001 /nfs/dbraw/zinc/09/20/01/250092001.db2.gz QMAXTCKZFODEJA-UHFFFAOYSA-N 1 2 369.425 2.869 20 5 FFBDLO C[C@@H](C(=O)NC1CCCC1)N1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000103491956 250156003 /nfs/dbraw/zinc/15/60/03/250156003.db2.gz KJVKENMWWFTLJE-HOTGVXAUSA-N 1 2 374.485 2.721 20 5 FFBDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000103491956 250156008 /nfs/dbraw/zinc/15/60/08/250156008.db2.gz KJVKENMWWFTLJE-HOTGVXAUSA-N 1 2 374.485 2.721 20 5 FFBDLO C[C@@H]1CN(c2ccc(CNc3ncc(Cl)cc3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000153588968 251151921 /nfs/dbraw/zinc/15/19/21/251151921.db2.gz MAESRQSMWRWNDI-LLVKDONJSA-N 1 2 363.805 2.875 20 5 FFBDLO COCCO[C@H]1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000186754945 251257094 /nfs/dbraw/zinc/25/70/94/251257094.db2.gz GPVBBZCXQGFBGB-INIZCTEOSA-N 1 2 358.398 2.602 20 5 FFBDLO COc1cc(NCc2ccc(N3CCOCC3)[nH+]c2)c(F)cc1[N+](=O)[O-] ZINC000271099315 251704428 /nfs/dbraw/zinc/70/44/28/251704428.db2.gz OIIMUJGTFYPWDH-UHFFFAOYSA-N 1 2 362.361 2.586 20 5 FFBDLO CC(C)[N@@H+]1CCO[C@H](c2noc(C(F)(F)c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000272352459 252017785 /nfs/dbraw/zinc/01/77/85/252017785.db2.gz AMQIVEGKVOPYPB-ZDUSSCGKSA-N 1 2 368.340 2.900 20 5 FFBDLO CC(C)[N@H+]1CCO[C@H](c2noc(C(F)(F)c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000272352459 252017786 /nfs/dbraw/zinc/01/77/86/252017786.db2.gz AMQIVEGKVOPYPB-ZDUSSCGKSA-N 1 2 368.340 2.900 20 5 FFBDLO C[C@H](c1cccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1)[NH+]1CCOCC1 ZINC000272513081 252057035 /nfs/dbraw/zinc/05/70/35/252057035.db2.gz KHEDATDPTRJZQY-CYBMUJFWSA-N 1 2 371.393 2.946 20 5 FFBDLO C[C@@H]1CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000272375299 252023059 /nfs/dbraw/zinc/02/30/59/252023059.db2.gz RNYWVUUCKQBHMD-IUODEOHRSA-N 1 2 364.352 2.993 20 5 FFBDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)n2)C1 ZINC000272700310 252105414 /nfs/dbraw/zinc/10/54/14/252105414.db2.gz WCCKAUDYVHXQHC-MRXNPFEDSA-N 1 2 371.397 2.832 20 5 FFBDLO CC(C)[N@H+]1CCO[C@@H](c2noc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)n2)C1 ZINC000272700310 252105416 /nfs/dbraw/zinc/10/54/16/252105416.db2.gz WCCKAUDYVHXQHC-MRXNPFEDSA-N 1 2 371.397 2.832 20 5 FFBDLO CCOc1cc(C[N@H+](CC)[C@H](C)CS(=O)(=O)CC)ccc1[N+](=O)[O-] ZINC000276897221 256140471 /nfs/dbraw/zinc/14/04/71/256140471.db2.gz LCNXKKQQXWECQW-CYBMUJFWSA-N 1 2 358.460 2.639 20 5 FFBDLO CCOc1cc(C[N@@H+](CC)[C@H](C)CS(=O)(=O)CC)ccc1[N+](=O)[O-] ZINC000276897221 256140472 /nfs/dbraw/zinc/14/04/72/256140472.db2.gz LCNXKKQQXWECQW-CYBMUJFWSA-N 1 2 358.460 2.639 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000277599608 256216225 /nfs/dbraw/zinc/21/62/25/256216225.db2.gz ONHGLHYGWJIQJG-UHFFFAOYSA-N 1 2 370.409 2.919 20 5 FFBDLO C[C@H](c1nccs1)[NH+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278539066 256323506 /nfs/dbraw/zinc/32/35/06/256323506.db2.gz UTYNUSDONUJJRE-LLVKDONJSA-N 1 2 358.427 2.811 20 5 FFBDLO CN(C)c1cc(F)c(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000279181667 256390333 /nfs/dbraw/zinc/39/03/33/256390333.db2.gz KGHNXOYUJZZJQX-CYBMUJFWSA-N 1 2 361.377 2.890 20 5 FFBDLO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278824158 256352139 /nfs/dbraw/zinc/35/21/39/256352139.db2.gz OJABVNBULPMHRS-UHFFFAOYSA-N 1 2 370.413 2.934 20 5 FFBDLO COc1cc(CCNC(=O)Nc2c(C)cc[nH+]c2C)c([N+](=O)[O-])cc1OC ZINC000287543467 257094870 /nfs/dbraw/zinc/09/48/70/257094870.db2.gz OKHICHOFWHTHLO-UHFFFAOYSA-N 1 2 374.397 2.988 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000289638663 257291537 /nfs/dbraw/zinc/29/15/37/257291537.db2.gz SHWAQOBSXNXSGJ-AEFFLSMTSA-N 1 2 359.426 2.875 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000289638663 257291538 /nfs/dbraw/zinc/29/15/38/257291538.db2.gz SHWAQOBSXNXSGJ-AEFFLSMTSA-N 1 2 359.426 2.875 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@H](n4cc(Cl)cn4)C3)n2)cc1 ZINC000289697517 257294252 /nfs/dbraw/zinc/29/42/52/257294252.db2.gz BOTGGSIRFDZWPG-AWEZNQCLSA-N 1 2 374.788 2.942 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@H](n4cc(Cl)cn4)C3)n2)cc1 ZINC000289697517 257294253 /nfs/dbraw/zinc/29/42/53/257294253.db2.gz BOTGGSIRFDZWPG-AWEZNQCLSA-N 1 2 374.788 2.942 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@@H](n4cc(Cl)cn4)C3)n2)c1 ZINC000289869995 257303886 /nfs/dbraw/zinc/30/38/86/257303886.db2.gz LSCPMJODDIGWSB-CQSZACIVSA-N 1 2 374.788 2.942 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@@H](n4cc(Cl)cn4)C3)n2)c1 ZINC000289869995 257303887 /nfs/dbraw/zinc/30/38/87/257303887.db2.gz LSCPMJODDIGWSB-CQSZACIVSA-N 1 2 374.788 2.942 20 5 FFBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289611660 257289989 /nfs/dbraw/zinc/28/99/89/257289989.db2.gz JGFLNMHNCGIEQW-DGCLKSJQSA-N 1 2 368.821 2.575 20 5 FFBDLO CCn1cc[nH+]c1CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000297303019 257814186 /nfs/dbraw/zinc/81/41/86/257814186.db2.gz UXGQNGSFQKTJAZ-UHFFFAOYSA-N 1 2 352.778 2.550 20 5 FFBDLO O=[N+]([O-])c1cnc(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(Cl)c1 ZINC000301251581 258036736 /nfs/dbraw/zinc/03/67/36/258036736.db2.gz BPBGSMMXNNSJOO-HNNXBMFYSA-N 1 2 362.817 2.956 20 5 FFBDLO O=[N+]([O-])c1cnc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(Cl)c1 ZINC000301251581 258036738 /nfs/dbraw/zinc/03/67/38/258036738.db2.gz BPBGSMMXNNSJOO-HNNXBMFYSA-N 1 2 362.817 2.956 20 5 FFBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCc1[nH]c2ccccc2[nH+]1 ZINC000302727683 258109115 /nfs/dbraw/zinc/10/91/15/258109115.db2.gz STLVEOMREMLBPI-UHFFFAOYSA-N 1 2 360.395 2.529 20 5 FFBDLO CCc1cc(N[C@@H]2CCN(C)C(=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302763579 258109951 /nfs/dbraw/zinc/10/99/51/258109951.db2.gz KWKXOFPYUPHEBG-CQSZACIVSA-N 1 2 355.398 2.647 20 5 FFBDLO O=C1COc2cc([N+](=O)[O-])c(NCc3ccc(N4CCCC4)[nH+]c3)cc2N1 ZINC000301610307 258058368 /nfs/dbraw/zinc/05/83/68/258058368.db2.gz CIRXIZQTGXBRDE-UHFFFAOYSA-N 1 2 369.381 2.533 20 5 FFBDLO O=C1COc2cc([N+](=O)[O-])c(NCCCCNc3cccc[nH+]3)cc2N1 ZINC000301666352 258061697 /nfs/dbraw/zinc/06/16/97/258061697.db2.gz CFOGKEMGEOJXIM-UHFFFAOYSA-N 1 2 357.370 2.625 20 5 FFBDLO CCN(CC)c1ccc(CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)c[nH+]1 ZINC000301699014 258063605 /nfs/dbraw/zinc/06/36/05/258063605.db2.gz RKJGQCVUQTYKOW-UHFFFAOYSA-N 1 2 371.397 2.779 20 5 FFBDLO C[NH+](C)[C@@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])c1cccs1 ZINC000301891817 258073094 /nfs/dbraw/zinc/07/30/94/258073094.db2.gz MEQZNQSPNSRDTE-LBPRGKRZSA-N 1 2 369.468 2.775 20 5 FFBDLO COc1ccc(OC)c(C[NH+]2CCN(c3sccc3[N+](=O)[O-])CC2)c1 ZINC000301921176 258075589 /nfs/dbraw/zinc/07/55/89/258075589.db2.gz DMBKPRJWPUIDBV-UHFFFAOYSA-N 1 2 363.439 2.996 20 5 FFBDLO COc1ccc(C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000097473655 222183600 /nfs/dbraw/zinc/18/36/00/222183600.db2.gz SONZLRVZZKCBJU-UHFFFAOYSA-N 1 2 369.421 2.952 20 5 FFBDLO COc1ccc(C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000097473655 222183603 /nfs/dbraw/zinc/18/36/03/222183603.db2.gz SONZLRVZZKCBJU-UHFFFAOYSA-N 1 2 369.421 2.952 20 5 FFBDLO Cn1c2c(cccc2F)[nH+]c1N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000409734131 512136622 /nfs/dbraw/zinc/13/66/22/512136622.db2.gz UNAVJCJXRJIBMS-LLVKDONJSA-N 1 2 356.361 2.706 20 5 FFBDLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)on1 ZINC000052821879 506254613 /nfs/dbraw/zinc/25/46/13/506254613.db2.gz NJHZPEYTRJDEPR-MRXNPFEDSA-N 1 2 356.382 2.617 20 5 FFBDLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)on1 ZINC000052821879 506254628 /nfs/dbraw/zinc/25/46/28/506254628.db2.gz NJHZPEYTRJDEPR-MRXNPFEDSA-N 1 2 356.382 2.617 20 5 FFBDLO COc1ccc2c(c1)C[N@@H+](CC(=O)N1CCc3cc([N+](=O)[O-])ccc31)CC2 ZINC000065162923 506265420 /nfs/dbraw/zinc/26/54/20/506265420.db2.gz MMYQHBUUFBLHFT-UHFFFAOYSA-N 1 2 367.405 2.551 20 5 FFBDLO COc1ccc2c(c1)C[N@H+](CC(=O)N1CCc3cc([N+](=O)[O-])ccc31)CC2 ZINC000065162923 506265429 /nfs/dbraw/zinc/26/54/29/506265429.db2.gz MMYQHBUUFBLHFT-UHFFFAOYSA-N 1 2 367.405 2.551 20 5 FFBDLO O=C(C1CCCCC1)N1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065537985 506319195 /nfs/dbraw/zinc/31/91/95/506319195.db2.gz GJYYLPGZQBNTTR-UHFFFAOYSA-N 1 2 361.442 2.698 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nnc(CN3CC[NH+](Cc4ccco4)CC3)o2)cc1 ZINC000053439810 506380297 /nfs/dbraw/zinc/38/02/97/506380297.db2.gz HLELNYWOZPHZBV-UHFFFAOYSA-N 1 2 369.381 2.556 20 5 FFBDLO Cc1sc(C(=O)NCC[N@@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000054220525 506515592 /nfs/dbraw/zinc/51/55/92/506515592.db2.gz ATCYJECREJYUAW-UHFFFAOYSA-N 1 2 351.453 2.814 20 5 FFBDLO Cc1sc(C(=O)NCC[N@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000054220525 506515594 /nfs/dbraw/zinc/51/55/94/506515594.db2.gz ATCYJECREJYUAW-UHFFFAOYSA-N 1 2 351.453 2.814 20 5 FFBDLO CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc([N+](=O)[O-])cc1 ZINC000007361184 506556200 /nfs/dbraw/zinc/55/62/00/506556200.db2.gz TZJUQIBJDWBZIB-UHFFFAOYSA-N 1 2 371.393 2.827 20 5 FFBDLO CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc([N+](=O)[O-])cc1 ZINC000007361184 506556204 /nfs/dbraw/zinc/55/62/04/506556204.db2.gz TZJUQIBJDWBZIB-UHFFFAOYSA-N 1 2 371.393 2.827 20 5 FFBDLO COc1ccccc1[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1[nH+]ccn1C ZINC000044381120 506840840 /nfs/dbraw/zinc/84/08/40/506840840.db2.gz JYVJSBCPYNKUMP-HNNXBMFYSA-N 1 2 372.406 2.918 20 5 FFBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCCc2cn3ccccc3[nH+]2)c1 ZINC000012669015 506888330 /nfs/dbraw/zinc/88/83/30/506888330.db2.gz AOYBDCDSKOLQEA-UHFFFAOYSA-N 1 2 356.407 2.937 20 5 FFBDLO O=[N+]([O-])c1ccc(NCc2ccc[nH+]c2N2CCOCC2)c2ccncc21 ZINC000045026568 506908170 /nfs/dbraw/zinc/90/81/70/506908170.db2.gz QXAIMEZQOHAHEN-UHFFFAOYSA-N 1 2 365.393 2.987 20 5 FFBDLO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000067595087 506942341 /nfs/dbraw/zinc/94/23/41/506942341.db2.gz AHYVPTVIVKGTIY-INIZCTEOSA-N 1 2 369.421 2.942 20 5 FFBDLO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000067595087 506942349 /nfs/dbraw/zinc/94/23/49/506942349.db2.gz AHYVPTVIVKGTIY-INIZCTEOSA-N 1 2 369.421 2.942 20 5 FFBDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000045316257 506948957 /nfs/dbraw/zinc/94/89/57/506948957.db2.gz QOGHMGJVHZMYBU-UHFFFAOYSA-N 1 2 370.756 2.702 20 5 FFBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000067646143 506960003 /nfs/dbraw/zinc/96/00/03/506960003.db2.gz BILNLWYQGDFRPR-UHFFFAOYSA-N 1 2 369.356 2.919 20 5 FFBDLO O=C(NCc1cccc([N+](=O)[O-])c1)Nc1ccccc1C[NH+]1CCOCC1 ZINC000067677338 506971467 /nfs/dbraw/zinc/97/14/67/506971467.db2.gz YNKBWVDPMFWJLW-UHFFFAOYSA-N 1 2 370.409 2.749 20 5 FFBDLO O=C(CCOc1ccccc1[N+](=O)[O-])NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000067790253 507009336 /nfs/dbraw/zinc/00/93/36/507009336.db2.gz LXBCSHMCQQARAQ-UHFFFAOYSA-N 1 2 374.784 2.981 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000018235867 507146769 /nfs/dbraw/zinc/14/67/69/507146769.db2.gz RAIKQEMWGOQSDJ-MRXNPFEDSA-N 1 2 354.341 2.987 20 5 FFBDLO O=C(NCC[NH+]1Cc2ccccc2C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000068252626 507161753 /nfs/dbraw/zinc/16/17/53/507161753.db2.gz USTRZBSGSYHYOF-UHFFFAOYSA-N 1 2 350.378 2.822 20 5 FFBDLO CN1CC[NH+](Cc2cccc(NC(=O)c3csc([N+](=O)[O-])c3)c2)CC1 ZINC000057055041 507162281 /nfs/dbraw/zinc/16/22/81/507162281.db2.gz MCXHGYRPHIDFTK-UHFFFAOYSA-N 1 2 360.439 2.656 20 5 FFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375439022 512328025 /nfs/dbraw/zinc/32/80/25/512328025.db2.gz QLIPQUFXUISNER-AAEUAGOBSA-N 1 2 371.397 2.672 20 5 FFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375439022 512328027 /nfs/dbraw/zinc/32/80/27/512328027.db2.gz QLIPQUFXUISNER-AAEUAGOBSA-N 1 2 371.397 2.672 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000057563609 507288385 /nfs/dbraw/zinc/28/83/85/507288385.db2.gz ZPYUJRXJYZLLCJ-KRWDZBQOSA-N 1 2 366.377 2.856 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCc2cn3c(cccc3C)[nH+]2)c1C ZINC000068944097 507366061 /nfs/dbraw/zinc/36/60/61/507366061.db2.gz JEFDBFIYKLIAPL-UHFFFAOYSA-N 1 2 374.422 2.646 20 5 FFBDLO Cc1ccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)[NH+]2CCOCC2)cc1 ZINC000023973438 507381151 /nfs/dbraw/zinc/38/11/51/507381151.db2.gz XJKVCXJVKJRSFI-IBGZPJMESA-N 1 2 369.421 2.707 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccn(-c3cc[nH+]cc3)n2)c1C ZINC000071092200 507693743 /nfs/dbraw/zinc/69/37/43/507693743.db2.gz PNGYZNPUPPPWEV-UHFFFAOYSA-N 1 2 373.394 2.593 20 5 FFBDLO CCOc1cccc(CNC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000052589877 507814949 /nfs/dbraw/zinc/81/49/49/507814949.db2.gz MHAVMSNMNBVRRN-UHFFFAOYSA-N 1 2 357.410 2.742 20 5 FFBDLO CCOc1cccc(CNC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000052589877 507814950 /nfs/dbraw/zinc/81/49/50/507814950.db2.gz MHAVMSNMNBVRRN-UHFFFAOYSA-N 1 2 357.410 2.742 20 5 FFBDLO C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000052589747 507814998 /nfs/dbraw/zinc/81/49/98/507814998.db2.gz PDQRQTHOCOIFQG-CRAIPNDOSA-N 1 2 363.458 2.738 20 5 FFBDLO C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000052589747 507814999 /nfs/dbraw/zinc/81/49/99/507814999.db2.gz PDQRQTHOCOIFQG-CRAIPNDOSA-N 1 2 363.458 2.738 20 5 FFBDLO C[C@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[N@@H+]1CCc2ccccc2C1 ZINC000089420918 507837011 /nfs/dbraw/zinc/83/70/11/507837011.db2.gz HYIOAOZFSYRSSM-GFCCVEGCSA-N 1 2 365.393 2.856 20 5 FFBDLO C[C@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[N@H+]1CCc2ccccc2C1 ZINC000089420918 507837013 /nfs/dbraw/zinc/83/70/13/507837013.db2.gz HYIOAOZFSYRSSM-GFCCVEGCSA-N 1 2 365.393 2.856 20 5 FFBDLO CNc1ccc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000078288085 507856560 /nfs/dbraw/zinc/85/65/60/507856560.db2.gz XFNONDIQAYEFKY-UHFFFAOYSA-N 1 2 365.393 2.811 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CCS[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000072837163 507860940 /nfs/dbraw/zinc/86/09/40/507860940.db2.gz QYDVQYQSIFHIAZ-HNNXBMFYSA-N 1 2 353.444 2.615 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CCS[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000072837163 507860942 /nfs/dbraw/zinc/86/09/42/507860942.db2.gz QYDVQYQSIFHIAZ-HNNXBMFYSA-N 1 2 353.444 2.615 20 5 FFBDLO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])Cc1ccccc1N1CCCC1 ZINC000073102102 507893357 /nfs/dbraw/zinc/89/33/57/507893357.db2.gz RREIRGHIUNCGPA-UHFFFAOYSA-N 1 2 368.437 2.926 20 5 FFBDLO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])Cc1ccccc1N1CCCC1 ZINC000073102102 507893361 /nfs/dbraw/zinc/89/33/61/507893361.db2.gz RREIRGHIUNCGPA-UHFFFAOYSA-N 1 2 368.437 2.926 20 5 FFBDLO CCc1[nH]nc(C(=O)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)c1[N+](=O)[O-] ZINC000089988340 507896417 /nfs/dbraw/zinc/89/64/17/507896417.db2.gz MZGAHJOSQVVSIX-UHFFFAOYSA-N 1 2 354.370 2.897 20 5 FFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000079255963 507947991 /nfs/dbraw/zinc/94/79/91/507947991.db2.gz JKIBVJXBFVUTLC-UHFFFAOYSA-N 1 2 354.410 2.839 20 5 FFBDLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000091897845 508023612 /nfs/dbraw/zinc/02/36/12/508023612.db2.gz MCACGNSAXUQBAD-HNNXBMFYSA-N 1 2 369.487 2.620 20 5 FFBDLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000091897845 508023613 /nfs/dbraw/zinc/02/36/13/508023613.db2.gz MCACGNSAXUQBAD-HNNXBMFYSA-N 1 2 369.487 2.620 20 5 FFBDLO Cc1cc(NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)ncc1[N+](=O)[O-] ZINC000074740853 508051072 /nfs/dbraw/zinc/05/10/72/508051072.db2.gz SCUKUABDJOSOSN-ZIAGYGMSSA-N 1 2 357.414 2.919 20 5 FFBDLO COCC[N@H+](Cc1ccco1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000092562105 508082228 /nfs/dbraw/zinc/08/22/28/508082228.db2.gz IIRWEGCWAXLZCZ-UHFFFAOYSA-N 1 2 350.371 2.854 20 5 FFBDLO COCC[N@@H+](Cc1ccco1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000092562105 508082231 /nfs/dbraw/zinc/08/22/31/508082231.db2.gz IIRWEGCWAXLZCZ-UHFFFAOYSA-N 1 2 350.371 2.854 20 5 FFBDLO C[C@H](C(=O)NC1CCCC1)N1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075715211 508130917 /nfs/dbraw/zinc/13/09/17/508130917.db2.gz LCSKKYZCIQREMS-HZPDHXFCSA-N 1 2 374.485 2.721 20 5 FFBDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075715211 508130920 /nfs/dbraw/zinc/13/09/20/508130920.db2.gz LCSKKYZCIQREMS-HZPDHXFCSA-N 1 2 374.485 2.721 20 5 FFBDLO CC(C)Cn1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cn1 ZINC000081279962 508154912 /nfs/dbraw/zinc/15/49/12/508154912.db2.gz SOESMLIESGPZPY-UHFFFAOYSA-N 1 2 354.370 2.885 20 5 FFBDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc(I)cc1[N+](=O)[O-] ZINC000097347307 508223438 /nfs/dbraw/zinc/22/34/38/508223438.db2.gz HIMOMOGEAQBRHQ-VIFPVBQESA-N 1 2 372.166 2.897 20 5 FFBDLO O=[N+]([O-])c1ccc2nc(NCc3ccc[nH+]c3N3CCOCC3)ccc2c1 ZINC000076650266 508235857 /nfs/dbraw/zinc/23/58/57/508235857.db2.gz AMMKNMHYJLHBGM-UHFFFAOYSA-N 1 2 365.393 2.987 20 5 FFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000115414966 508392054 /nfs/dbraw/zinc/39/20/54/508392054.db2.gz ZAGSLCCOJMXDKA-HNNXBMFYSA-N 1 2 364.352 2.609 20 5 FFBDLO Cc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000156362806 508407754 /nfs/dbraw/zinc/40/77/54/508407754.db2.gz UWAKHJYPRZPZMM-GFCCVEGCSA-N 1 2 356.382 2.731 20 5 FFBDLO COc1cc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000133769333 508446493 /nfs/dbraw/zinc/44/64/93/508446493.db2.gz LBOWWKCQBYUJPV-KRWDZBQOSA-N 1 2 355.394 2.732 20 5 FFBDLO COc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000133769333 508446495 /nfs/dbraw/zinc/44/64/95/508446495.db2.gz LBOWWKCQBYUJPV-KRWDZBQOSA-N 1 2 355.394 2.732 20 5 FFBDLO C[C@@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153039647 508541362 /nfs/dbraw/zinc/54/13/62/508541362.db2.gz DOLLUQSICIHOIS-ZDUSSCGKSA-N 1 2 357.385 2.797 20 5 FFBDLO C[C@@H](C(=O)NCc1ccc(F)cc1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153039647 508541365 /nfs/dbraw/zinc/54/13/65/508541365.db2.gz DOLLUQSICIHOIS-ZDUSSCGKSA-N 1 2 357.385 2.797 20 5 FFBDLO C[C@](CO)(NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000153036198 508541729 /nfs/dbraw/zinc/54/17/29/508541729.db2.gz FRNYBHGBKMJXDU-LJQANCHMSA-N 1 2 372.425 2.842 20 5 FFBDLO Cc1cc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc([N+](=O)[O-])c1 ZINC000116643809 508541855 /nfs/dbraw/zinc/54/18/55/508541855.db2.gz MMNPWLPCGVZEQY-UHFFFAOYSA-N 1 2 355.394 2.988 20 5 FFBDLO COc1cc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)ccc1[N+](=O)[O-] ZINC000116643944 508541997 /nfs/dbraw/zinc/54/19/97/508541997.db2.gz FNSBXQBMEOVQDY-UHFFFAOYSA-N 1 2 371.393 2.688 20 5 FFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000153734441 508637711 /nfs/dbraw/zinc/63/77/11/508637711.db2.gz QLQVPMDEVKFHHD-ZBEGNZNMSA-N 1 2 353.806 2.688 20 5 FFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@]2(CCOC2)C1 ZINC000153734441 508637714 /nfs/dbraw/zinc/63/77/14/508637714.db2.gz QLQVPMDEVKFHHD-ZBEGNZNMSA-N 1 2 353.806 2.688 20 5 FFBDLO Cc1c(CC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)cccc1[N+](=O)[O-] ZINC000123245987 508657843 /nfs/dbraw/zinc/65/78/43/508657843.db2.gz BPGIQTFAFIFMKW-INIZCTEOSA-N 1 2 368.437 2.746 20 5 FFBDLO Cc1cc(C)cc(NC(=O)C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000118866687 508689164 /nfs/dbraw/zinc/68/91/64/508689164.db2.gz QXDKRIBNIOPVTE-OAHLLOKOSA-N 1 2 369.425 2.732 20 5 FFBDLO Cc1cc(C)cc(NC(=O)C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000118866687 508689169 /nfs/dbraw/zinc/68/91/69/508689169.db2.gz QXDKRIBNIOPVTE-OAHLLOKOSA-N 1 2 369.425 2.732 20 5 FFBDLO C[C@@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000123449019 508689239 /nfs/dbraw/zinc/68/92/39/508689239.db2.gz OJPXNKWGFODKPE-RHSMWYFYSA-N 1 2 357.414 2.703 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000153997791 508694295 /nfs/dbraw/zinc/69/42/95/508694295.db2.gz BNWNQIYLXVCPSZ-ZBEGNZNMSA-N 1 2 353.806 2.688 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@]2(CCOC2)C1 ZINC000153997791 508694300 /nfs/dbraw/zinc/69/43/00/508694300.db2.gz BNWNQIYLXVCPSZ-ZBEGNZNMSA-N 1 2 353.806 2.688 20 5 FFBDLO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000119582067 508823213 /nfs/dbraw/zinc/82/32/13/508823213.db2.gz VPWBSJDZTBZQBJ-CQSZACIVSA-N 1 2 374.466 2.597 20 5 FFBDLO C[NH+](C)[C@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1 ZINC000130798029 508848379 /nfs/dbraw/zinc/84/83/79/508848379.db2.gz PKZNPJBKEJPRSP-MRXNPFEDSA-N 1 2 371.372 2.643 20 5 FFBDLO CC(C)([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C(=O)NCC1CCCC1 ZINC000155136737 508931423 /nfs/dbraw/zinc/93/14/23/508931423.db2.gz IMLUENJXCFMXJS-UHFFFAOYSA-N 1 2 360.414 2.911 20 5 FFBDLO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000132807682 509077245 /nfs/dbraw/zinc/07/72/45/509077245.db2.gz DIVWGGIGEIGZMG-MRXNPFEDSA-N 1 2 356.407 2.592 20 5 FFBDLO Cc1cccc2[nH+]c(CNC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)cn21 ZINC000133252777 509137938 /nfs/dbraw/zinc/13/79/38/509137938.db2.gz NUJPYOWFHJDIMA-UHFFFAOYSA-N 1 2 363.377 2.891 20 5 FFBDLO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)cc1 ZINC000121146700 509138408 /nfs/dbraw/zinc/13/84/08/509138408.db2.gz UYKXMWACFQUQFM-NSHDSACASA-N 1 2 367.365 2.681 20 5 FFBDLO Cn1cc(C[N@H+](C)CC(=O)OC(C)(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000126907830 509145620 /nfs/dbraw/zinc/14/56/20/509145620.db2.gz OKTXCMAVHSPTNM-UHFFFAOYSA-N 1 2 360.414 2.769 20 5 FFBDLO Cn1cc(C[N@@H+](C)CC(=O)OC(C)(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000126907830 509145622 /nfs/dbraw/zinc/14/56/22/509145622.db2.gz OKTXCMAVHSPTNM-UHFFFAOYSA-N 1 2 360.414 2.769 20 5 FFBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000185538607 509228501 /nfs/dbraw/zinc/22/85/01/509228501.db2.gz HKMVHBHCVAGPAX-IRXDYDNUSA-N 1 2 368.437 2.954 20 5 FFBDLO C[N@H+](CC(=O)[O-])[C@@H]1CCC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000191999198 509285254 /nfs/dbraw/zinc/28/52/54/509285254.db2.gz FZQWVAWXUKDAEH-CYBMUJFWSA-N 1 2 355.822 2.619 20 5 FFBDLO C[N@@H+](CC(=O)[O-])[C@@H]1CCC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000191999198 509285255 /nfs/dbraw/zinc/28/52/55/509285255.db2.gz FZQWVAWXUKDAEH-CYBMUJFWSA-N 1 2 355.822 2.619 20 5 FFBDLO C[NH+](CC(=O)[O-])[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000191999198 509285258 /nfs/dbraw/zinc/28/52/58/509285258.db2.gz FZQWVAWXUKDAEH-CYBMUJFWSA-N 1 2 355.822 2.619 20 5 FFBDLO C[NH+](CC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000191999198 509285260 /nfs/dbraw/zinc/28/52/60/509285260.db2.gz FZQWVAWXUKDAEH-CYBMUJFWSA-N 1 2 355.822 2.619 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCS[C@@H]3CCCC[C@H]32)cc1 ZINC000248478555 509339008 /nfs/dbraw/zinc/33/90/08/509339008.db2.gz ZJECYOIFUNXBSD-HZPDHXFCSA-N 1 2 370.496 2.729 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCS[C@@H]3CCCC[C@H]32)cc1 ZINC000248478555 509339016 /nfs/dbraw/zinc/33/90/16/509339016.db2.gz ZJECYOIFUNXBSD-HZPDHXFCSA-N 1 2 370.496 2.729 20 5 FFBDLO Cc1cc(C[NH+]2CCN(Cc3c(Cl)cccc3[N+](=O)[O-])CC2)on1 ZINC000163263241 509357188 /nfs/dbraw/zinc/35/71/88/509357188.db2.gz IWUMVKREQTVPNA-UHFFFAOYSA-N 1 2 350.806 2.862 20 5 FFBDLO COc1cccc2c1CC[N@@H+]([C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000182694444 509377731 /nfs/dbraw/zinc/37/77/31/509377731.db2.gz WWDPGDGFRUKRBB-ZDUSSCGKSA-N 1 2 355.394 2.989 20 5 FFBDLO COc1cccc2c1CC[N@H+]([C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000182694444 509377740 /nfs/dbraw/zinc/37/77/40/509377740.db2.gz WWDPGDGFRUKRBB-ZDUSSCGKSA-N 1 2 355.394 2.989 20 5 FFBDLO C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176239952 509397053 /nfs/dbraw/zinc/39/70/53/509397053.db2.gz HXSSSUYKVDFKJI-DOMZBBRYSA-N 1 2 350.806 2.907 20 5 FFBDLO C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176239952 509397056 /nfs/dbraw/zinc/39/70/56/509397056.db2.gz HXSSSUYKVDFKJI-DOMZBBRYSA-N 1 2 350.806 2.907 20 5 FFBDLO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)Cn1cc[nH+]c1 ZINC000176382054 509479487 /nfs/dbraw/zinc/47/94/87/509479487.db2.gz IURGMMNUFXFPIP-SNVBAGLBSA-N 1 2 367.203 2.620 20 5 FFBDLO CCC[C@H](C)C[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000179610013 509534184 /nfs/dbraw/zinc/53/41/84/509534184.db2.gz YGWFANMMBMNERN-AWEZNQCLSA-N 1 2 369.487 2.557 20 5 FFBDLO Cc1ccc(N2CCC(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)CC2)[nH+]c1 ZINC000166160140 509596589 /nfs/dbraw/zinc/59/65/89/509596589.db2.gz KNSCRCDIBJJMRU-UHFFFAOYSA-N 1 2 356.382 2.859 20 5 FFBDLO C[C@H]1CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000189510435 509610557 /nfs/dbraw/zinc/61/05/57/509610557.db2.gz FROOFUSCVFKVHA-BLLLJJGKSA-N 1 2 350.806 2.907 20 5 FFBDLO C[C@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000189510435 509610559 /nfs/dbraw/zinc/61/05/59/509610559.db2.gz FROOFUSCVFKVHA-BLLLJJGKSA-N 1 2 350.806 2.907 20 5 FFBDLO COc1ccc(C[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)cc1[N+](=O)[O-] ZINC000189634672 509674945 /nfs/dbraw/zinc/67/49/45/509674945.db2.gz GJJHFMVYSUOUDG-UHFFFAOYSA-N 1 2 357.414 2.526 20 5 FFBDLO CS(=O)(=O)CC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000180090995 509748123 /nfs/dbraw/zinc/74/81/23/509748123.db2.gz NWRCQPWBKRRKJE-UHFFFAOYSA-N 1 2 364.423 2.864 20 5 FFBDLO CS(=O)(=O)CC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000180090995 509748129 /nfs/dbraw/zinc/74/81/29/509748129.db2.gz NWRCQPWBKRRKJE-UHFFFAOYSA-N 1 2 364.423 2.864 20 5 FFBDLO C[C@@H](c1cccnc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000265122022 509873087 /nfs/dbraw/zinc/87/30/87/509873087.db2.gz KFMZASMXAPFWEA-ZDUSSCGKSA-N 1 2 357.370 2.781 20 5 FFBDLO COc1ccc(CNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000268355830 509886548 /nfs/dbraw/zinc/88/65/48/509886548.db2.gz RVYDNYMYMTWHEM-XJKSGUPXSA-N 1 2 373.413 2.593 20 5 FFBDLO O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C/c1cccc2[nH+]ccn21 ZINC000255326205 509922324 /nfs/dbraw/zinc/92/23/24/509922324.db2.gz ODGYUDJPCZVSGM-BENRWUELSA-N 1 2 359.345 2.897 20 5 FFBDLO Nc1c(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000255697442 509933844 /nfs/dbraw/zinc/93/38/44/509933844.db2.gz YMDSDQXZPZLVNK-YVMONPNESA-N 1 2 366.421 2.648 20 5 FFBDLO O=C(C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000193578171 509973261 /nfs/dbraw/zinc/97/32/61/509973261.db2.gz UNVIXYYPDDTGBI-LLVKDONJSA-N 1 2 363.805 2.789 20 5 FFBDLO O=C(C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000193578171 509973265 /nfs/dbraw/zinc/97/32/65/509973265.db2.gz UNVIXYYPDDTGBI-LLVKDONJSA-N 1 2 363.805 2.789 20 5 FFBDLO O=C(NCc1cccc([N+](=O)[O-])c1)NCc1ccccc1-n1cc[nH+]c1 ZINC000171178817 509988404 /nfs/dbraw/zinc/98/84/04/509988404.db2.gz GUNAGKWKDHBHDA-UHFFFAOYSA-N 1 2 351.366 2.780 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000177564404 510136643 /nfs/dbraw/zinc/13/66/43/510136643.db2.gz JAAGAJRTUJPWSQ-WFASDCNBSA-N 1 2 359.386 2.915 20 5 FFBDLO CC(C)COC[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccco1 ZINC000184186418 510180987 /nfs/dbraw/zinc/18/09/87/510180987.db2.gz XBDWEYHAHCBNGD-OAHLLOKOSA-N 1 2 361.398 2.790 20 5 FFBDLO C[C@@H](CCc1cccn1C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000174578133 510189530 /nfs/dbraw/zinc/18/95/30/510189530.db2.gz QIENTESLRMJRMW-AWEZNQCLSA-N 1 2 367.409 2.870 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C(=O)NC1CC1)c1ccccc1 ZINC000194077094 510204300 /nfs/dbraw/zinc/20/43/00/510204300.db2.gz NGSRRNMENHTSHQ-SFHVURJKSA-N 1 2 355.394 2.713 20 5 FFBDLO CC[C@@H]1C[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])CCN1CC(F)F ZINC000184291195 510243934 /nfs/dbraw/zinc/24/39/34/510243934.db2.gz WTCJHKYPCQTIJF-GFCCVEGCSA-N 1 2 361.364 2.904 20 5 FFBDLO CC[C@@H]1C[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])CCN1CC(F)F ZINC000184291195 510243941 /nfs/dbraw/zinc/24/39/41/510243941.db2.gz WTCJHKYPCQTIJF-GFCCVEGCSA-N 1 2 361.364 2.904 20 5 FFBDLO C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nccs1 ZINC000184299037 510247055 /nfs/dbraw/zinc/24/70/55/510247055.db2.gz CKASBTXFCDIUNE-NSHDSACASA-N 1 2 357.395 2.771 20 5 FFBDLO Cc1nc(N2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)cc[nH+]1 ZINC000266191990 510455133 /nfs/dbraw/zinc/45/51/33/510455133.db2.gz YTQHHMIAKIGQPF-UHFFFAOYSA-N 1 2 350.382 2.568 20 5 FFBDLO C[C@H](C(=O)N1CC[NH+](Cc2ccccn2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000184774288 510510798 /nfs/dbraw/zinc/51/07/98/510510798.db2.gz LZZOXPSAVQLNGO-AWEZNQCLSA-N 1 2 372.400 2.577 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000175229803 510541417 /nfs/dbraw/zinc/54/14/17/510541417.db2.gz BAOWXCNGZPPHNI-QGZVFWFLSA-N 1 2 373.409 2.867 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000175229803 510541429 /nfs/dbraw/zinc/54/14/29/510541429.db2.gz BAOWXCNGZPPHNI-QGZVFWFLSA-N 1 2 373.409 2.867 20 5 FFBDLO CC(C)C[C@]1(CO)CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000191475189 510678715 /nfs/dbraw/zinc/67/87/15/510678715.db2.gz IUXCXYQBFLYITA-IBGZPJMESA-N 1 2 372.425 2.794 20 5 FFBDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1nc(C(C)(C)C)no1 ZINC000185152599 510716007 /nfs/dbraw/zinc/71/60/07/510716007.db2.gz POAHDDJSRWBGMD-WDEREUQCSA-N 1 2 361.402 2.953 20 5 FFBDLO C[C@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1cccc([N+](=O)[O-])c1 ZINC000178733525 510744953 /nfs/dbraw/zinc/74/49/53/510744953.db2.gz WETBIGYLNKGBII-ZFWWWQNUSA-N 1 2 355.398 2.629 20 5 FFBDLO Cc1cc(N2CC[C@](O)(C(F)(F)F)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000266719058 510747535 /nfs/dbraw/zinc/74/75/35/510747535.db2.gz LCKRZNTXKMLOOL-OAHLLOKOSA-N 1 2 368.315 2.864 20 5 FFBDLO O=C(NCC[NH+]1CCSCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275583866 510907172 /nfs/dbraw/zinc/90/71/72/510907172.db2.gz QPQYSMXJBCIJHJ-UHFFFAOYSA-N 1 2 367.474 2.872 20 5 FFBDLO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1c(F)cncc1F ZINC000285599401 510972258 /nfs/dbraw/zinc/97/22/58/510972258.db2.gz JFLBHDLXSFXZDF-JTQLQIEISA-N 1 2 350.325 2.582 20 5 FFBDLO COc1cc(N2CC[NH+](Cc3c(C)noc3C)CC2)c(F)cc1[N+](=O)[O-] ZINC000271101118 511082515 /nfs/dbraw/zinc/08/25/15/511082515.db2.gz PMPWRSMMEIGNEO-UHFFFAOYSA-N 1 2 364.377 2.670 20 5 FFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c2c(c1)COCO2 ZINC000289703704 511111488 /nfs/dbraw/zinc/11/14/88/511111488.db2.gz WKGNBJFIEBZCIH-SJLPKXTDSA-N 1 2 360.410 2.995 20 5 FFBDLO O=[N+]([O-])c1cc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c2c(c1)COCO2 ZINC000289703704 511111492 /nfs/dbraw/zinc/11/14/92/511111492.db2.gz WKGNBJFIEBZCIH-SJLPKXTDSA-N 1 2 360.410 2.995 20 5 FFBDLO Cc1ccc(NC(=O)N[C@@H](c2[nH+]ccn2C)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000297978977 511129714 /nfs/dbraw/zinc/12/97/14/511129714.db2.gz XWQFJVZJFRTKPN-AWEZNQCLSA-N 1 2 361.402 2.518 20 5 FFBDLO COc1cc(CNc2ccc(CO)c[nH+]2)c([N+](=O)[O-])cc1OCC(F)F ZINC000291479807 511214404 /nfs/dbraw/zinc/21/44/04/511214404.db2.gz FQNUCIXXRUFDDQ-UHFFFAOYSA-N 1 2 369.324 2.747 20 5 FFBDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000365205260 511315626 /nfs/dbraw/zinc/31/56/26/511315626.db2.gz RVKDGLQKUFHBGO-GFCCVEGCSA-N 1 2 358.401 2.692 20 5 FFBDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000365205260 511315630 /nfs/dbraw/zinc/31/56/30/511315630.db2.gz RVKDGLQKUFHBGO-GFCCVEGCSA-N 1 2 358.401 2.692 20 5 FFBDLO C[C@@H]1[C@@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000291938645 511399310 /nfs/dbraw/zinc/39/93/10/511399310.db2.gz UEVLNQCSIFQCIF-CJNGLKHVSA-N 1 2 355.394 2.693 20 5 FFBDLO C[C@@H]1[C@@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000291938645 511399313 /nfs/dbraw/zinc/39/93/13/511399313.db2.gz UEVLNQCSIFQCIF-CJNGLKHVSA-N 1 2 355.394 2.693 20 5 FFBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)n1 ZINC000272243973 511476738 /nfs/dbraw/zinc/47/67/38/511476738.db2.gz NZEIRLMSQXOOJH-OAHLLOKOSA-N 1 2 373.461 2.837 20 5 FFBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)n1 ZINC000272243973 511476746 /nfs/dbraw/zinc/47/67/46/511476746.db2.gz NZEIRLMSQXOOJH-OAHLLOKOSA-N 1 2 373.461 2.837 20 5 FFBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000299132201 511526649 /nfs/dbraw/zinc/52/66/49/511526649.db2.gz DTARRXPOIUOYGB-AWEZNQCLSA-N 1 2 357.414 2.600 20 5 FFBDLO Cc1nc(N2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)cc[nH+]1 ZINC000273556311 511533289 /nfs/dbraw/zinc/53/32/89/511533289.db2.gz ZYVDIPBJTSBKKB-UHFFFAOYSA-N 1 2 365.340 2.621 20 5 FFBDLO Cc1cc(OCC(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000295853535 511536097 /nfs/dbraw/zinc/53/60/97/511536097.db2.gz KBRLQEOYUFYQRP-INIZCTEOSA-N 1 2 358.398 2.625 20 5 FFBDLO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000280824670 511616848 /nfs/dbraw/zinc/61/68/48/511616848.db2.gz SQJWCCMRGLCDDS-MRXNPFEDSA-N 1 2 355.394 2.867 20 5 FFBDLO CC(C)(C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000273915658 511654519 /nfs/dbraw/zinc/65/45/19/511654519.db2.gz PTMFIJZOSYXFRB-CYBMUJFWSA-N 1 2 372.400 2.802 20 5 FFBDLO CCOc1ccc(-c2nc([C@H]3C[N@@H+](C(C)C)CCO3)no2)cc1[N+](=O)[O-] ZINC000349845503 511673363 /nfs/dbraw/zinc/67/33/63/511673363.db2.gz CBIMRVFCOOONAC-OAHLLOKOSA-N 1 2 362.386 2.825 20 5 FFBDLO CCOc1ccc(-c2nc([C@H]3C[N@H+](C(C)C)CCO3)no2)cc1[N+](=O)[O-] ZINC000349845503 511673366 /nfs/dbraw/zinc/67/33/66/511673366.db2.gz CBIMRVFCOOONAC-OAHLLOKOSA-N 1 2 362.386 2.825 20 5 FFBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000281009869 511686591 /nfs/dbraw/zinc/68/65/91/511686591.db2.gz LOQOAEWLEMRIIM-UHFFFAOYSA-N 1 2 374.441 2.980 20 5 FFBDLO C[N@@H+]1CC[C@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000284360810 511696513 /nfs/dbraw/zinc/69/65/13/511696513.db2.gz SVBKZABFYABFFC-QFBILLFUSA-N 1 2 354.410 2.568 20 5 FFBDLO C[N@H+]1CC[C@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000284360810 511696518 /nfs/dbraw/zinc/69/65/18/511696518.db2.gz SVBKZABFYABFFC-QFBILLFUSA-N 1 2 354.410 2.568 20 5 FFBDLO O=C(C[N@H+]1CC[C@@H](O)C12CCCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000292793326 511721889 /nfs/dbraw/zinc/72/18/89/511721889.db2.gz QVERNMJDORSBTF-CQSZACIVSA-N 1 2 353.806 2.566 20 5 FFBDLO O=C(C[N@@H+]1CC[C@@H](O)C12CCCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000292793326 511721893 /nfs/dbraw/zinc/72/18/93/511721893.db2.gz QVERNMJDORSBTF-CQSZACIVSA-N 1 2 353.806 2.566 20 5 FFBDLO COc1cc[nH+]cc1CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000293246810 511894625 /nfs/dbraw/zinc/89/46/25/511894625.db2.gz DVYLVGQQMUSUFU-UHFFFAOYSA-N 1 2 365.773 2.737 20 5 FFBDLO O=C(NC1CC1)[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293266571 511901809 /nfs/dbraw/zinc/90/18/09/511901809.db2.gz XSGJHQRCYYMNBW-CQSZACIVSA-N 1 2 357.332 2.857 20 5 FFBDLO O=C(NC1CC1)[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293266571 511901813 /nfs/dbraw/zinc/90/18/13/511901813.db2.gz XSGJHQRCYYMNBW-CQSZACIVSA-N 1 2 357.332 2.857 20 5 FFBDLO CC(C)OC[C@@H](O)C[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284897946 511919071 /nfs/dbraw/zinc/91/90/71/511919071.db2.gz UQTLSQYZGBNJRY-NSHDSACASA-N 1 2 373.247 2.501 20 5 FFBDLO CC(C)OC[C@@H](O)C[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284897946 511919073 /nfs/dbraw/zinc/91/90/73/511919073.db2.gz UQTLSQYZGBNJRY-NSHDSACASA-N 1 2 373.247 2.501 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000296892124 511939512 /nfs/dbraw/zinc/93/95/12/511939512.db2.gz VLMGNGLOPMKPEJ-UHFFFAOYSA-N 1 2 355.394 2.867 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000296892124 511939517 /nfs/dbraw/zinc/93/95/17/511939517.db2.gz VLMGNGLOPMKPEJ-UHFFFAOYSA-N 1 2 355.394 2.867 20 5 FFBDLO CCOC(=O)CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)(C)C ZINC000281775011 511961985 /nfs/dbraw/zinc/96/19/85/511961985.db2.gz IWNWPQRUISMTPG-UHFFFAOYSA-N 1 2 374.397 2.584 20 5 FFBDLO Cc1nn(CCc2nc(CCc3[nH+]cccc3C)no2)c(C)c1[N+](=O)[O-] ZINC000351133897 511964763 /nfs/dbraw/zinc/96/47/63/511964763.db2.gz UTHCVUUKHCKBJG-UHFFFAOYSA-N 1 2 356.386 2.522 20 5 FFBDLO CCOc1cc(C[N@@H+]2CCCC[C@@H]2CCS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000366373350 511985343 /nfs/dbraw/zinc/98/53/43/511985343.db2.gz FSLPTEUZBBQSNC-OAHLLOKOSA-N 1 2 370.471 2.783 20 5 FFBDLO CCOc1cc(C[N@H+]2CCCC[C@@H]2CCS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000366373350 511985347 /nfs/dbraw/zinc/98/53/47/511985347.db2.gz FSLPTEUZBBQSNC-OAHLLOKOSA-N 1 2 370.471 2.783 20 5 FFBDLO CCOc1cc(C[N@@H+]2CCCC[C@H]2CCS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000366373348 511985777 /nfs/dbraw/zinc/98/57/77/511985777.db2.gz FSLPTEUZBBQSNC-HNNXBMFYSA-N 1 2 370.471 2.783 20 5 FFBDLO CCOc1cc(C[N@H+]2CCCC[C@H]2CCS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000366373348 511985780 /nfs/dbraw/zinc/98/57/80/511985780.db2.gz FSLPTEUZBBQSNC-HNNXBMFYSA-N 1 2 370.471 2.783 20 5 FFBDLO O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1C[NH+]1CCOCC1 ZINC000274941478 511994095 /nfs/dbraw/zinc/99/40/95/511994095.db2.gz FRTCLHLBHMRUKP-UHFFFAOYSA-N 1 2 359.357 2.818 20 5 FFBDLO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000281875245 511997074 /nfs/dbraw/zinc/99/70/74/511997074.db2.gz CVDYUERCWXGVNW-QGZVFWFLSA-N 1 2 373.384 2.882 20 5 FFBDLO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000281875245 511997080 /nfs/dbraw/zinc/99/70/80/511997080.db2.gz CVDYUERCWXGVNW-QGZVFWFLSA-N 1 2 373.384 2.882 20 5 FFBDLO C[N@@H+]1CC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000297089830 512016147 /nfs/dbraw/zinc/01/61/47/512016147.db2.gz KMFIMGJYAIGTGR-ZBFHGGJFSA-N 1 2 355.385 2.662 20 5 FFBDLO C[N@H+]1CC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000297089830 512016153 /nfs/dbraw/zinc/01/61/53/512016153.db2.gz KMFIMGJYAIGTGR-ZBFHGGJFSA-N 1 2 355.385 2.662 20 5 FFBDLO CCC[C@@H](C)C(=O)NCC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000293831335 512093935 /nfs/dbraw/zinc/09/39/35/512093935.db2.gz XAIAOIROADUGIA-RHSMWYFYSA-N 1 2 373.457 2.560 20 5 FFBDLO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCc2[nH+]ccn2C1 ZINC000375836108 512531750 /nfs/dbraw/zinc/53/17/50/512531750.db2.gz BBFRFGHLJNVKST-VIFPVBQESA-N 1 2 365.187 2.755 20 5 FFBDLO CC(C)Oc1cc(C(=O)NCc2ccc[nH+]c2N(C)C)ccc1[N+](=O)[O-] ZINC000411407441 512620804 /nfs/dbraw/zinc/62/08/04/512620804.db2.gz LQTGIZXOLVWMDI-UHFFFAOYSA-N 1 2 358.398 2.773 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000374015598 512623555 /nfs/dbraw/zinc/62/35/55/512623555.db2.gz WKYRENLYPYJTFW-GLJUWKHASA-N 1 2 350.415 2.762 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000374015598 512623559 /nfs/dbraw/zinc/62/35/59/512623559.db2.gz WKYRENLYPYJTFW-GLJUWKHASA-N 1 2 350.415 2.762 20 5 FFBDLO Cc1ccc2[nH+]c(CNC(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)cn2c1 ZINC000411538963 512679683 /nfs/dbraw/zinc/67/96/83/512679683.db2.gz FFCIEVBHVRSINA-DLBZAZTESA-N 1 2 350.378 2.971 20 5 FFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374409583 512820131 /nfs/dbraw/zinc/82/01/31/512820131.db2.gz ONGUTNMRZZCNIP-CQSZACIVSA-N 1 2 369.425 2.851 20 5 FFBDLO COc1cc(C[N@@H+]2CCCOCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000376504269 512846749 /nfs/dbraw/zinc/84/67/49/512846749.db2.gz GSBOCRHQXCJKBH-UHFFFAOYSA-N 1 2 364.320 2.767 20 5 FFBDLO COc1cc(C[N@H+]2CCCOCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000376504269 512846752 /nfs/dbraw/zinc/84/67/52/512846752.db2.gz GSBOCRHQXCJKBH-UHFFFAOYSA-N 1 2 364.320 2.767 20 5 FFBDLO O=C1C[C@@]2(CC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)Oc2ccccc21 ZINC000411983158 512900582 /nfs/dbraw/zinc/90/05/82/512900582.db2.gz LPZKSCQSKDOTDC-LJQANCHMSA-N 1 2 354.362 2.910 20 5 FFBDLO O=C1C[C@@]2(CC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)Oc2ccccc21 ZINC000411983158 512900584 /nfs/dbraw/zinc/90/05/84/512900584.db2.gz LPZKSCQSKDOTDC-LJQANCHMSA-N 1 2 354.362 2.910 20 5 FFBDLO COc1cc(C[NH+]2CCC(Oc3cnccn3)CC2)c([N+](=O)[O-])cc1F ZINC000368473595 512965124 /nfs/dbraw/zinc/96/51/24/512965124.db2.gz IOIKTAOLOPZPOY-UHFFFAOYSA-N 1 2 362.361 2.576 20 5 FFBDLO C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000406059632 512972904 /nfs/dbraw/zinc/97/29/04/512972904.db2.gz LYPLNCKUIIQTHO-LJQANCHMSA-N 1 2 355.394 2.695 20 5 FFBDLO C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000406059632 512972910 /nfs/dbraw/zinc/97/29/10/512972910.db2.gz LYPLNCKUIIQTHO-LJQANCHMSA-N 1 2 355.394 2.695 20 5 FFBDLO C[C@@H](O)c1cn(C2C[NH+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2)nn1 ZINC000374805045 513012246 /nfs/dbraw/zinc/01/22/46/513012246.db2.gz GHDRRXFRNQLUGX-GFCCVEGCSA-N 1 2 369.381 2.557 20 5 FFBDLO CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc3c(c2)[nH+]c(C2CC2)n3C)n1 ZINC000412336369 513043134 /nfs/dbraw/zinc/04/31/34/513043134.db2.gz XMTSOLVMOBPBBQ-UHFFFAOYSA-N 1 2 368.397 2.505 20 5 FFBDLO COc1cc(C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)c([N+](=O)[O-])cc1F ZINC000376949418 513064230 /nfs/dbraw/zinc/06/42/30/513064230.db2.gz OPCZSPSCCZDKNL-AWEZNQCLSA-N 1 2 365.405 2.719 20 5 FFBDLO COc1cc(C[N@H+]2CCC[C@H](N3CCCCC3=O)C2)c([N+](=O)[O-])cc1F ZINC000376949418 513064233 /nfs/dbraw/zinc/06/42/33/513064233.db2.gz OPCZSPSCCZDKNL-AWEZNQCLSA-N 1 2 365.405 2.719 20 5 FFBDLO O=C(NCCSCC(F)(F)F)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450363524 513160097 /nfs/dbraw/zinc/16/00/97/513160097.db2.gz VNYCZFKSQVHMNY-UHFFFAOYSA-N 1 2 374.344 2.806 20 5 FFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000428697983 513167470 /nfs/dbraw/zinc/16/74/70/513167470.db2.gz CNSJCRCVYDBBRZ-CQSZACIVSA-N 1 2 352.456 2.947 20 5 FFBDLO CC(C)[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCO1 ZINC000450395453 513175458 /nfs/dbraw/zinc/17/54/58/513175458.db2.gz ZPURJTARBRHPNE-PBHICJAKSA-N 1 2 358.398 2.714 20 5 FFBDLO C[C@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)Cn1cc[nH+]c1 ZINC000446161472 513200850 /nfs/dbraw/zinc/20/08/50/513200850.db2.gz LYKCCCIEUSFZAR-CQSZACIVSA-N 1 2 360.417 2.944 20 5 FFBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000434279358 513277578 /nfs/dbraw/zinc/27/75/78/513277578.db2.gz IJFJBSUIUXLKGN-UHFFFAOYSA-N 1 2 353.382 2.679 20 5 FFBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434279358 513277584 /nfs/dbraw/zinc/27/75/84/513277584.db2.gz IJFJBSUIUXLKGN-UHFFFAOYSA-N 1 2 353.382 2.679 20 5 FFBDLO COc1ccc(-c2noc(C[NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)n2)nn1 ZINC000450677891 513301549 /nfs/dbraw/zinc/30/15/49/513301549.db2.gz HCOVPJLOSZUJNR-NSHDSACASA-N 1 2 370.369 2.603 20 5 FFBDLO COC(=O)[C@@H](CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000413138979 513475808 /nfs/dbraw/zinc/47/58/08/513475808.db2.gz QCYVEUYBSVYDAG-INIZCTEOSA-N 1 2 359.382 2.771 20 5 FFBDLO C[NH+](C)[C@@H]1CCc2cc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])ccc21 ZINC000451090465 513513000 /nfs/dbraw/zinc/51/30/00/513513000.db2.gz UKISLLZJCFEVRP-OAHLLOKOSA-N 1 2 361.423 2.945 20 5 FFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCc3cccc(N4CCOCC4)n3)c2c1 ZINC000413233104 513535857 /nfs/dbraw/zinc/53/58/57/513535857.db2.gz PGWYRSMNBYXAGW-UHFFFAOYSA-N 1 2 365.393 2.987 20 5 FFBDLO COC(=O)[C@H]1CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])[C@H]1C ZINC000425443637 513570739 /nfs/dbraw/zinc/57/07/39/513570739.db2.gz LEERGSUMZXMALK-CABZTGNLSA-N 1 2 357.204 2.741 20 5 FFBDLO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])[C@H]1C ZINC000425443637 513570741 /nfs/dbraw/zinc/57/07/41/513570741.db2.gz LEERGSUMZXMALK-CABZTGNLSA-N 1 2 357.204 2.741 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@@H](O)C1CCCCC1 ZINC000447803692 513575214 /nfs/dbraw/zinc/57/52/14/513575214.db2.gz UJBDFZXLYIIHCX-LJQANCHMSA-N 1 2 363.458 2.780 20 5 FFBDLO CCC(CC)[C@H](O)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447814342 513580150 /nfs/dbraw/zinc/58/01/50/513580150.db2.gz ZNOLNBMAZAXIPV-GOSISDBHSA-N 1 2 351.447 2.636 20 5 FFBDLO CN(CCC1CCOCC1)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447816892 513580508 /nfs/dbraw/zinc/58/05/08/513580508.db2.gz NJDHWOQDXAEVGF-UHFFFAOYSA-N 1 2 363.458 2.680 20 5 FFBDLO Cc1cc(N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)c(Br)cc1[N+](=O)[O-] ZINC000418993064 513710314 /nfs/dbraw/zinc/71/03/14/513710314.db2.gz GLYDTGGXVPYCGL-NEPJUHHUSA-N 1 2 372.263 2.557 20 5 FFBDLO Cc1cc(N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)c(Br)cc1[N+](=O)[O-] ZINC000418993064 513710319 /nfs/dbraw/zinc/71/03/19/513710319.db2.gz GLYDTGGXVPYCGL-NEPJUHHUSA-N 1 2 372.263 2.557 20 5 FFBDLO COCC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)(C)C ZINC000451516581 513802689 /nfs/dbraw/zinc/80/26/89/513802689.db2.gz JQQBFKJCLAUICF-INIZCTEOSA-N 1 2 360.414 2.962 20 5 FFBDLO CC(=O)[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C(C)C ZINC000451550087 513826491 /nfs/dbraw/zinc/82/64/91/513826491.db2.gz QVKIYOYUZXCBDL-APWZRJJASA-N 1 2 361.442 2.504 20 5 FFBDLO CC(=O)[C@@H](NC(=O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C(C)C ZINC000451550087 513826497 /nfs/dbraw/zinc/82/64/97/513826497.db2.gz QVKIYOYUZXCBDL-APWZRJJASA-N 1 2 361.442 2.504 20 5 FFBDLO Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451552259 513828190 /nfs/dbraw/zinc/82/81/90/513828190.db2.gz WIIYUJDWMJZWHO-INIZCTEOSA-N 1 2 371.441 2.763 20 5 FFBDLO Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451552259 513828199 /nfs/dbraw/zinc/82/81/99/513828199.db2.gz WIIYUJDWMJZWHO-INIZCTEOSA-N 1 2 371.441 2.763 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ncn(Cc2cccc(F)c2)n1 ZINC000436420963 513850302 /nfs/dbraw/zinc/85/03/02/513850302.db2.gz VEMYJMLPEFRJLP-UHFFFAOYSA-N 1 2 355.373 2.972 20 5 FFBDLO O=C(NCCOC1CCCCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448765725 513887241 /nfs/dbraw/zinc/88/72/41/513887241.db2.gz RXLJXPKIMKNBRK-UHFFFAOYSA-N 1 2 358.398 2.860 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000427108466 514118853 /nfs/dbraw/zinc/11/88/53/514118853.db2.gz CVJARYRUQTXKEN-QGZVFWFLSA-N 1 2 355.394 2.732 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000427108466 514118860 /nfs/dbraw/zinc/11/88/60/514118860.db2.gz CVJARYRUQTXKEN-QGZVFWFLSA-N 1 2 355.394 2.732 20 5 FFBDLO CCOC(=O)Cn1nc(C)c(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1C ZINC000437573353 514184709 /nfs/dbraw/zinc/18/47/09/514184709.db2.gz BBJJZYHCVHJTFV-UHFFFAOYSA-N 1 2 360.414 2.603 20 5 FFBDLO CCOC(=O)Cn1nc(C)c(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1C ZINC000437573353 514184712 /nfs/dbraw/zinc/18/47/12/514184712.db2.gz BBJJZYHCVHJTFV-UHFFFAOYSA-N 1 2 360.414 2.603 20 5 FFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCOC[C@H](O)C2)ccc1Oc1ccc(F)cc1 ZINC000449417235 514202499 /nfs/dbraw/zinc/20/24/99/514202499.db2.gz XECCUDBZECBSBA-OAHLLOKOSA-N 1 2 362.357 2.719 20 5 FFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCOC[C@H](O)C2)ccc1Oc1ccc(F)cc1 ZINC000449417235 514202507 /nfs/dbraw/zinc/20/25/07/514202507.db2.gz XECCUDBZECBSBA-OAHLLOKOSA-N 1 2 362.357 2.719 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H]([C@@H](O)C(F)(F)F)C3)nc2c1 ZINC000444725382 514307191 /nfs/dbraw/zinc/30/71/91/514307191.db2.gz GQNCXNRTEIPRKI-YMTOWFKASA-N 1 2 358.320 2.606 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H]([C@@H](O)C(F)(F)F)C3)nc2c1 ZINC000444725382 514307192 /nfs/dbraw/zinc/30/71/92/514307192.db2.gz GQNCXNRTEIPRKI-YMTOWFKASA-N 1 2 358.320 2.606 20 5 FFBDLO CCOC(=O)C(CC)(CC)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452374389 514318634 /nfs/dbraw/zinc/31/86/34/514318634.db2.gz XZZYWUSIMGMPND-UHFFFAOYSA-N 1 2 374.397 2.632 20 5 FFBDLO O=[N+]([O-])c1cc(CN(CC[NH+]2CCOCC2)Cc2ccco2)cs1 ZINC000449764146 514345440 /nfs/dbraw/zinc/34/54/40/514345440.db2.gz YYFXHDICPJYRJT-UHFFFAOYSA-N 1 2 351.428 2.584 20 5 FFBDLO O=C(NCCNc1cccc[nH+]1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000438308843 514351658 /nfs/dbraw/zinc/35/16/58/514351658.db2.gz WUWYIKKHWNJJGM-UHFFFAOYSA-N 1 2 354.288 2.851 20 5 FFBDLO CCc1nc(C[NH+]2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)cs1 ZINC000427983033 514366271 /nfs/dbraw/zinc/36/62/71/514366271.db2.gz ILMYPDRFLHYZFU-UHFFFAOYSA-N 1 2 372.454 2.812 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000420936927 514387260 /nfs/dbraw/zinc/38/72/60/514387260.db2.gz JDSAGYSTXBUQRQ-IJLUTSLNSA-N 1 2 355.822 2.526 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000420936927 514387267 /nfs/dbraw/zinc/38/72/67/514387267.db2.gz JDSAGYSTXBUQRQ-IJLUTSLNSA-N 1 2 355.822 2.526 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420936933 514388462 /nfs/dbraw/zinc/38/84/62/514388462.db2.gz JDSAGYSTXBUQRQ-WOPDTQHZSA-N 1 2 355.822 2.526 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420936933 514388469 /nfs/dbraw/zinc/38/84/69/514388469.db2.gz JDSAGYSTXBUQRQ-WOPDTQHZSA-N 1 2 355.822 2.526 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2c(nnn2-c2ccccc2)C1 ZINC000433199522 514418758 /nfs/dbraw/zinc/41/87/58/514418758.db2.gz CTZKYOCKICSEMS-UHFFFAOYSA-N 1 2 365.393 2.742 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2c(nnn2-c2ccccc2)C1 ZINC000433199522 514418765 /nfs/dbraw/zinc/41/87/65/514418765.db2.gz CTZKYOCKICSEMS-UHFFFAOYSA-N 1 2 365.393 2.742 20 5 FFBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445221671 514446057 /nfs/dbraw/zinc/44/60/57/514446057.db2.gz XPQHBQIUURPCRN-ZDUSSCGKSA-N 1 2 358.401 2.623 20 5 FFBDLO Cc1nc([C@@](C)([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C2CC2)no1 ZINC000433305053 514452923 /nfs/dbraw/zinc/45/29/23/514452923.db2.gz MBENQHHMSGCOFP-SFHVURJKSA-N 1 2 373.413 2.838 20 5 FFBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428354442 514455406 /nfs/dbraw/zinc/45/54/06/514455406.db2.gz YWIWDGAMONZENA-LLVKDONJSA-N 1 2 366.830 2.668 20 5 FFBDLO CCO[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000452813224 514504095 /nfs/dbraw/zinc/50/40/95/514504095.db2.gz ASJOSBIVMUPVKI-CXAGYDPISA-N 1 2 358.398 2.668 20 5 FFBDLO CC(C)[C@H]1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000452817649 514506346 /nfs/dbraw/zinc/50/63/46/514506346.db2.gz CUHRKLUUZWBQEF-KBXCAEBGSA-N 1 2 372.425 2.962 20 5 FFBDLO CCC(CC)(CCO)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450138345 514507242 /nfs/dbraw/zinc/50/72/42/514507242.db2.gz ZRZCAAQZRIJESX-UHFFFAOYSA-N 1 2 360.414 2.699 20 5 FFBDLO CO[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1(C)C ZINC000452869386 514525650 /nfs/dbraw/zinc/52/56/50/514525650.db2.gz QLDPGXBNWAOPHP-MRXNPFEDSA-N 1 2 358.398 2.668 20 5 FFBDLO NC(=O)[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000475427262 514658227 /nfs/dbraw/zinc/65/82/27/514658227.db2.gz GCIMIVZYISWLHB-GFCCVEGCSA-N 1 2 370.228 2.735 20 5 FFBDLO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](CO)c1ccccc1 ZINC000479620301 514660118 /nfs/dbraw/zinc/66/01/18/514660118.db2.gz QTEMKHIPGSTJLL-INIZCTEOSA-N 1 2 354.366 2.810 20 5 FFBDLO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](CO)c1ccccc1 ZINC000479620301 514660125 /nfs/dbraw/zinc/66/01/25/514660125.db2.gz QTEMKHIPGSTJLL-INIZCTEOSA-N 1 2 354.366 2.810 20 5 FFBDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000470962831 514696167 /nfs/dbraw/zinc/69/61/67/514696167.db2.gz YJDLRVRYLICZFT-MFKMUULPSA-N 1 2 357.332 2.757 20 5 FFBDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000470962831 514696177 /nfs/dbraw/zinc/69/61/77/514696177.db2.gz YJDLRVRYLICZFT-MFKMUULPSA-N 1 2 357.332 2.757 20 5 FFBDLO CN(C)c1ccc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c[nH+]1 ZINC000466572032 514696435 /nfs/dbraw/zinc/69/64/35/514696435.db2.gz HPOAYYUTZCTKRM-UHFFFAOYSA-N 1 2 363.805 2.709 20 5 FFBDLO CCN1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@H]1c1[nH]cc[nH+]1 ZINC000502600841 514715208 /nfs/dbraw/zinc/71/52/08/514715208.db2.gz MHLBEWZOBBHRRU-INIZCTEOSA-N 1 2 371.441 2.501 20 5 FFBDLO O=C1[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]2CCCCN12 ZINC000453615545 514727677 /nfs/dbraw/zinc/72/76/77/514727677.db2.gz FUXDGXLTKRHPHV-HOCLYGCPSA-N 1 2 372.450 2.961 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2cccc(C)n2)c([N+](=O)[O-])c1 ZINC000471194608 514789926 /nfs/dbraw/zinc/78/99/26/514789926.db2.gz FCGVHBAUGABZEJ-ZDUSSCGKSA-N 1 2 358.398 2.766 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cccc(C)n2)c([N+](=O)[O-])c1 ZINC000471194608 514789935 /nfs/dbraw/zinc/78/99/35/514789935.db2.gz FCGVHBAUGABZEJ-ZDUSSCGKSA-N 1 2 358.398 2.766 20 5 FFBDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccnn1C)c1ccc(F)cc1[N+](=O)[O-] ZINC000480228203 514888602 /nfs/dbraw/zinc/88/86/02/514888602.db2.gz SKACQWOQZVVEOC-ZFWWWQNUSA-N 1 2 365.384 2.516 20 5 FFBDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccnn1C)c1ccc(F)cc1[N+](=O)[O-] ZINC000480228203 514888609 /nfs/dbraw/zinc/88/86/09/514888609.db2.gz SKACQWOQZVVEOC-ZFWWWQNUSA-N 1 2 365.384 2.516 20 5 FFBDLO COc1c(C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)cccc1[N+](=O)[O-] ZINC000476068292 514906430 /nfs/dbraw/zinc/90/64/30/514906430.db2.gz BEUZPQLCCZVSBN-CQSZACIVSA-N 1 2 370.409 2.517 20 5 FFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000456336674 515105309 /nfs/dbraw/zinc/10/53/09/515105309.db2.gz AVLVNBOSEMKIQV-VIFPVBQESA-N 1 2 354.313 2.904 20 5 FFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000456347163 515115174 /nfs/dbraw/zinc/11/51/74/515115174.db2.gz HSMNQDGRPSDIMJ-VIFPVBQESA-N 1 2 354.313 2.904 20 5 FFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000456354031 515120710 /nfs/dbraw/zinc/12/07/10/515120710.db2.gz NJGBFKQNCQQNDQ-LBPRGKRZSA-N 1 2 369.381 2.616 20 5 FFBDLO CCOc1cc(C(=O)N[C@H](C)c2[nH+]ccn2CC)c([N+](=O)[O-])cc1OC ZINC000456373099 515136212 /nfs/dbraw/zinc/13/62/12/515136212.db2.gz FUJQJMJEPHRBPQ-LLVKDONJSA-N 1 2 362.386 2.710 20 5 FFBDLO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c2[nH+]ccn21 ZINC000456426901 515176187 /nfs/dbraw/zinc/17/61/87/515176187.db2.gz QTNAHPQPPNVBPI-LDYMZIIASA-N 1 2 352.297 2.829 20 5 FFBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccco2)CC1 ZINC000491309346 515411643 /nfs/dbraw/zinc/41/16/43/515411643.db2.gz WDYWEBBAHXOEBC-UHFFFAOYSA-N 1 2 372.425 2.724 20 5 FFBDLO CCO[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000456963812 515550512 /nfs/dbraw/zinc/55/05/12/515550512.db2.gz RKSLBJAAWLEYCP-RHSMWYFYSA-N 1 2 358.398 2.858 20 5 FFBDLO CN(C(=O)COc1ccccc1[N+](=O)[O-])[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000492826776 515565821 /nfs/dbraw/zinc/56/58/21/515565821.db2.gz FOVZDWPBLQTOTB-GOSISDBHSA-N 1 2 366.377 2.945 20 5 FFBDLO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000486688298 515595946 /nfs/dbraw/zinc/59/59/46/515595946.db2.gz NULOGAAMRVODBD-UHFFFAOYSA-N 1 2 366.333 2.583 20 5 FFBDLO COc1ccc(Cl)c(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000459508663 515605805 /nfs/dbraw/zinc/60/58/05/515605805.db2.gz MDDGLKBCGLZFNO-UHFFFAOYSA-N 1 2 362.817 2.974 20 5 FFBDLO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCc1ccccc1-n1cc[nH+]c1 ZINC000486860322 515664754 /nfs/dbraw/zinc/66/47/54/515664754.db2.gz ZEPHNKQOOBZYHS-UHFFFAOYSA-N 1 2 372.331 2.918 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000482445456 515679034 /nfs/dbraw/zinc/67/90/34/515679034.db2.gz BJCAXGMUEZXZIQ-RDTXWAMCSA-N 1 2 350.415 2.763 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000482445456 515679041 /nfs/dbraw/zinc/67/90/41/515679041.db2.gz BJCAXGMUEZXZIQ-RDTXWAMCSA-N 1 2 350.415 2.763 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(N3CC[C@H](CNc4cccc[nH+]4)C3)n2)cc1 ZINC000486939666 515692135 /nfs/dbraw/zinc/69/21/35/515692135.db2.gz QJYZOHGWUWZXMD-CYBMUJFWSA-N 1 2 366.381 2.978 20 5 FFBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCc3ccc([N+](=O)[O-])cc3C1)CCC2 ZINC000506089982 515775867 /nfs/dbraw/zinc/77/58/67/515775867.db2.gz DISYLZJTMANVFP-HNNXBMFYSA-N 1 2 369.425 2.745 20 5 FFBDLO C[C@H](Cc1ccncc1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000487834108 515998377 /nfs/dbraw/zinc/99/83/77/515998377.db2.gz IXEVPWJTUSUMQM-CYBMUJFWSA-N 1 2 351.366 2.537 20 5 FFBDLO COC(=O)C[N@H+](C)Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000507302817 516163930 /nfs/dbraw/zinc/16/39/30/516163930.db2.gz YRFCFIQVSLTHRQ-UHFFFAOYSA-N 1 2 374.393 2.787 20 5 FFBDLO COC(=O)C[N@@H+](C)Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000507302817 516163933 /nfs/dbraw/zinc/16/39/33/516163933.db2.gz YRFCFIQVSLTHRQ-UHFFFAOYSA-N 1 2 374.393 2.787 20 5 FFBDLO CN(C)c1ccc(CNc2ncc(Br)cc2[N+](=O)[O-])c[nH+]1 ZINC000474786068 516194831 /nfs/dbraw/zinc/19/48/31/516194831.db2.gz XEDIGNQYLYFIIW-UHFFFAOYSA-N 1 2 352.192 2.825 20 5 FFBDLO Cc1ccc(CC(=O)N2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000507615914 516263743 /nfs/dbraw/zinc/26/37/43/516263743.db2.gz IOJVWRWLUGTYAY-UHFFFAOYSA-N 1 2 353.422 2.790 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(Cc2noc(C(C)(C)C)n2)CC1 ZINC000543631787 516337733 /nfs/dbraw/zinc/33/77/33/516337733.db2.gz QEZFAQOHILHMSK-UHFFFAOYSA-N 1 2 373.457 2.902 20 5 FFBDLO COc1ccc(CNC(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1[N+](=O)[O-] ZINC000523419241 516465261 /nfs/dbraw/zinc/46/52/61/516465261.db2.gz ZOFKGTXSOKRLGQ-UHFFFAOYSA-N 1 2 355.354 2.881 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000561502328 516620645 /nfs/dbraw/zinc/62/06/45/516620645.db2.gz ZYRQUICAEHBAGR-UHFFFAOYSA-N 1 2 368.393 2.945 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]CCOCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000513717849 516729918 /nfs/dbraw/zinc/72/99/18/516729918.db2.gz SGNNPJKDUZNWBK-CYBMUJFWSA-N 1 2 358.320 2.586 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]CCOCC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000513718585 516730359 /nfs/dbraw/zinc/73/03/59/516730359.db2.gz ZSRNVFZXQVDZPW-ZDUSSCGKSA-N 1 2 358.320 2.586 20 5 FFBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000531977630 516741340 /nfs/dbraw/zinc/74/13/40/516741340.db2.gz HYABSYAONWJKEF-UHFFFAOYSA-N 1 2 362.817 2.545 20 5 FFBDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000518942878 516827587 /nfs/dbraw/zinc/82/75/87/516827587.db2.gz DMBNNURGTUJFOO-UHFFFAOYSA-N 1 2 358.276 2.531 20 5 FFBDLO CCOC(=O)C(CC)(CC)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000561992150 516867281 /nfs/dbraw/zinc/86/72/81/516867281.db2.gz KGVPRGHFSWPHSW-UHFFFAOYSA-N 1 2 374.397 2.632 20 5 FFBDLO COCC[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc([N+](=O)[O-])ccc1OC ZINC000562191786 516951858 /nfs/dbraw/zinc/95/18/58/516951858.db2.gz OFYWSOOFMXMMNG-UHFFFAOYSA-N 1 2 374.393 2.981 20 5 FFBDLO COCC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc([N+](=O)[O-])ccc1OC ZINC000562191786 516951868 /nfs/dbraw/zinc/95/18/68/516951868.db2.gz OFYWSOOFMXMMNG-UHFFFAOYSA-N 1 2 374.393 2.981 20 5 FFBDLO COc1cc2c(cc1C[NH+]1CCN(c3cccc([N+](=O)[O-])c3)CC1)OCO2 ZINC000544927649 516990837 /nfs/dbraw/zinc/99/08/37/516990837.db2.gz KDIUKCBOMZVNFR-UHFFFAOYSA-N 1 2 371.393 2.654 20 5 FFBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000555739604 517094243 /nfs/dbraw/zinc/09/42/43/517094243.db2.gz CMAFFBDGRJIKSJ-MRXNPFEDSA-N 1 2 373.453 2.844 20 5 FFBDLO Cc1[nH+]c2cc(NC(=O)C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)ccc2n1C ZINC000527463102 517691339 /nfs/dbraw/zinc/69/13/39/517691339.db2.gz ZNIPITSFKOSEEV-UHFFFAOYSA-N 1 2 371.328 2.506 20 5 FFBDLO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC2(CCC2)O1 ZINC000522060337 517972312 /nfs/dbraw/zinc/97/23/12/517972312.db2.gz HZGXMXCDEQUBSF-ZDUSSCGKSA-N 1 2 356.382 2.564 20 5 FFBDLO C[NH+](C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(Cl)cc1 ZINC000566925861 518269334 /nfs/dbraw/zinc/26/93/34/518269334.db2.gz JPERCLGJZKQAQF-AWEZNQCLSA-N 1 2 363.801 2.987 20 5 FFBDLO CCn1c(C)nc([N+](=O)[O-])c1NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000564044044 518281154 /nfs/dbraw/zinc/28/11/54/518281154.db2.gz MBDCFPSLORVCRW-STQMWFEESA-N 1 2 374.445 2.740 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1-c1noc([C@H](c2ccc(Cl)cc2)[NH+](C)C)n1 ZINC000567249586 518430895 /nfs/dbraw/zinc/43/08/95/518430895.db2.gz LPEYJCCQZOYCOE-NSHDSACASA-N 1 2 362.777 2.683 20 5 FFBDLO COc1ncccc1CCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000576440695 518591727 /nfs/dbraw/zinc/59/17/27/518591727.db2.gz UFRYKMHKNRPNGO-UHFFFAOYSA-N 1 2 365.393 2.840 20 5 FFBDLO Cn1cc[nH+]c1[C@H](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000573383899 518638334 /nfs/dbraw/zinc/63/83/34/518638334.db2.gz JUMXYXGEZJQOQY-LBPRGKRZSA-N 1 2 368.315 2.954 20 5 FFBDLO Cc1noc(C)c1CC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000573511053 518700614 /nfs/dbraw/zinc/70/06/14/518700614.db2.gz CZPLARRBSGCQEF-KRWDZBQOSA-N 1 2 355.398 2.855 20 5 FFBDLO C[C@H](C(=O)NCc1[nH+]ccn1CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000573622443 518756612 /nfs/dbraw/zinc/75/66/12/518756612.db2.gz GYLUDACJBYIKSP-JTQLQIEISA-N 1 2 356.304 2.774 20 5 FFBDLO Cc1ccncc1CCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000570859375 518813832 /nfs/dbraw/zinc/81/38/32/518813832.db2.gz OJQUWSHBGGHUQC-UHFFFAOYSA-N 1 2 374.466 2.750 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCc3ccc(OC)cc3C2)c1 ZINC000589496737 519018188 /nfs/dbraw/zinc/01/81/88/519018188.db2.gz KCZNVFMVSDVDNG-UHFFFAOYSA-N 1 2 356.378 2.948 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCc3ccc(OC)cc3C2)c1 ZINC000589496737 519018196 /nfs/dbraw/zinc/01/81/96/519018196.db2.gz KCZNVFMVSDVDNG-UHFFFAOYSA-N 1 2 356.378 2.948 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1ccccc1N1CCOCC1)CCO2 ZINC000583174717 519112917 /nfs/dbraw/zinc/11/29/17/519112917.db2.gz IATQSYIIPUBQDH-UHFFFAOYSA-N 1 2 369.421 2.826 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1ccccc1N1CCOCC1)CCO2 ZINC000583174717 519112921 /nfs/dbraw/zinc/11/29/21/519112921.db2.gz IATQSYIIPUBQDH-UHFFFAOYSA-N 1 2 369.421 2.826 20 5 FFBDLO COC(=O)[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000591028095 519484226 /nfs/dbraw/zinc/48/42/26/519484226.db2.gz UEISJDGZYMYMSC-QGZVFWFLSA-N 1 2 363.414 2.635 20 5 FFBDLO Cn1cc[nH+]c1[C@H](CC(=O)NCCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000566436114 519493818 /nfs/dbraw/zinc/49/38/18/519493818.db2.gz ZSMPTWAXFHJRAQ-ZDUSSCGKSA-N 1 2 370.331 2.723 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@@H](OC2CCC2)C1 ZINC000594387975 519933469 /nfs/dbraw/zinc/93/34/69/519933469.db2.gz IHTKICICNTWYEO-MRXNPFEDSA-N 1 2 370.409 2.954 20 5 FFBDLO CCn1nc(C)c(C[N@H+](C)[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1C ZINC000602925217 519976796 /nfs/dbraw/zinc/97/67/96/519976796.db2.gz HPNUGJNYFWCRMW-GOSISDBHSA-N 1 2 371.441 2.665 20 5 FFBDLO CCn1nc(C)c(C[N@@H+](C)[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1C ZINC000602925217 519976801 /nfs/dbraw/zinc/97/68/01/519976801.db2.gz HPNUGJNYFWCRMW-GOSISDBHSA-N 1 2 371.441 2.665 20 5 FFBDLO C[C@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000594513545 520010243 /nfs/dbraw/zinc/01/02/43/520010243.db2.gz ZSIBVANSCZEMRS-CZUORRHYSA-N 1 2 374.441 2.985 20 5 FFBDLO Cc1c[nH+]c(CCNc2c(Br)cncc2[N+](=O)[O-])c(C)c1 ZINC000594595747 520045195 /nfs/dbraw/zinc/04/51/95/520045195.db2.gz IYGCHVVMWLZROK-UHFFFAOYSA-N 1 2 351.204 2.841 20 5 FFBDLO Cc1cc(SC[C@@H]2C[N@H+](C)CCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000591953983 520104982 /nfs/dbraw/zinc/10/49/82/520104982.db2.gz UVJKNRSQZWPRAT-HNNXBMFYSA-N 1 2 360.439 2.783 20 5 FFBDLO Cc1cc(SC[C@@H]2C[N@@H+](C)CCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000591953983 520104989 /nfs/dbraw/zinc/10/49/89/520104989.db2.gz UVJKNRSQZWPRAT-HNNXBMFYSA-N 1 2 360.439 2.783 20 5 FFBDLO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000597580647 520117686 /nfs/dbraw/zinc/11/76/86/520117686.db2.gz GDVWZCKNGBRSNM-SNVBAGLBSA-N 1 2 368.315 2.758 20 5 FFBDLO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000597580647 520117697 /nfs/dbraw/zinc/11/76/97/520117697.db2.gz GDVWZCKNGBRSNM-SNVBAGLBSA-N 1 2 368.315 2.758 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCN4CC(F)(F)C[C@H]4C3)co2)cc1 ZINC000592131119 520207949 /nfs/dbraw/zinc/20/79/49/520207949.db2.gz RDNCUXFJFUHSME-HNNXBMFYSA-N 1 2 364.352 2.775 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCN4CC(F)(F)C[C@H]4C3)co2)cc1 ZINC000592131119 520207954 /nfs/dbraw/zinc/20/79/54/520207954.db2.gz RDNCUXFJFUHSME-HNNXBMFYSA-N 1 2 364.352 2.775 20 5 FFBDLO CC(C)(C)OC(=O)C(C)(C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000600600019 520353926 /nfs/dbraw/zinc/35/39/26/520353926.db2.gz KQWQOPVUTIPDGO-UHFFFAOYSA-N 1 2 374.397 2.631 20 5 FFBDLO CNc1ccc(C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000609630445 520388777 /nfs/dbraw/zinc/38/87/77/520388777.db2.gz APTVFYJOEUOYGR-CQSZACIVSA-N 1 2 369.425 2.551 20 5 FFBDLO Cc1cc(CN2C(=O)N[C@](C)(c3cccc([N+](=O)[O-])c3)C2=O)cc(C)[nH+]1 ZINC000600696602 520405070 /nfs/dbraw/zinc/40/50/70/520405070.db2.gz DAOCVFDBBICPNV-GOSISDBHSA-N 1 2 354.366 2.574 20 5 FFBDLO Cc1cccc(C(=O)NCCNc2ccc3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000609852459 520459303 /nfs/dbraw/zinc/45/93/03/520459303.db2.gz XZKFBELEWLOGOC-UHFFFAOYSA-N 1 2 350.378 2.715 20 5 FFBDLO COc1cccc([C@H]2[C@@H](NCc3onc(C)c3[N+](=O)[O-])CC[N@@H+]2C2CC2)c1 ZINC000595475921 520495423 /nfs/dbraw/zinc/49/54/23/520495423.db2.gz KHWVSAUAHBYGFZ-LPHOPBHVSA-N 1 2 372.425 2.967 20 5 FFBDLO COc1cccc([C@H]2[C@@H](NCc3onc(C)c3[N+](=O)[O-])CC[N@H+]2C2CC2)c1 ZINC000595475921 520495428 /nfs/dbraw/zinc/49/54/28/520495428.db2.gz KHWVSAUAHBYGFZ-LPHOPBHVSA-N 1 2 372.425 2.967 20 5 FFBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000610032618 520513314 /nfs/dbraw/zinc/51/33/14/520513314.db2.gz OIJQCHPXUQZNIX-UHFFFAOYSA-N 1 2 360.395 2.914 20 5 FFBDLO CCc1cc(N2CC[S@@](=O)[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000610078329 520530958 /nfs/dbraw/zinc/53/09/58/520530958.db2.gz DELLLFYMJXXHGO-XELLLNAOSA-N 1 2 360.439 2.571 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000610151026 520559698 /nfs/dbraw/zinc/55/96/98/520559698.db2.gz HRMDGWFQKYLFDU-GOSISDBHSA-N 1 2 355.394 2.743 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000610151026 520559701 /nfs/dbraw/zinc/55/97/01/520559701.db2.gz HRMDGWFQKYLFDU-GOSISDBHSA-N 1 2 355.394 2.743 20 5 FFBDLO O=C(c1cc(N2CCC[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000610276426 520617428 /nfs/dbraw/zinc/61/74/28/520617428.db2.gz VXQWSTPZFLIYAW-INIZCTEOSA-N 1 2 369.425 2.869 20 5 FFBDLO CCOc1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000610435117 520682641 /nfs/dbraw/zinc/68/26/41/520682641.db2.gz YAPNBPXPDRWERA-UHFFFAOYSA-N 1 2 353.338 2.827 20 5 FFBDLO CCNc1ccc(C(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1[N+](=O)[O-] ZINC000610434949 520682757 /nfs/dbraw/zinc/68/27/57/520682757.db2.gz RQTLJTJLLSYZBU-UHFFFAOYSA-N 1 2 367.409 2.955 20 5 FFBDLO C[N@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)Cc1cn[nH]c1 ZINC000610487771 520711690 /nfs/dbraw/zinc/71/16/90/520711690.db2.gz XEXLEMFTVCIGQA-UHFFFAOYSA-N 1 2 372.410 2.512 20 5 FFBDLO C[N@@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)Cc1cn[nH]c1 ZINC000610487771 520711699 /nfs/dbraw/zinc/71/16/99/520711699.db2.gz XEXLEMFTVCIGQA-UHFFFAOYSA-N 1 2 372.410 2.512 20 5 FFBDLO O=C(C[NH+]1CCC2(CC1)C(F)(F)C2(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000593055437 520713393 /nfs/dbraw/zinc/71/33/93/520713393.db2.gz UUOGWVCKGFRNNZ-UHFFFAOYSA-N 1 2 361.295 2.900 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](OC(C)C)C1 ZINC000593056004 520713905 /nfs/dbraw/zinc/71/39/05/520713905.db2.gz WZTUJVDCCWEZBB-ZFWWWQNUSA-N 1 2 365.430 2.820 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](OC(C)C)C1 ZINC000593056004 520713910 /nfs/dbraw/zinc/71/39/10/520713910.db2.gz WZTUJVDCCWEZBB-ZFWWWQNUSA-N 1 2 365.430 2.820 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](OC(C)C)C2)c([N+](=O)[O-])c1 ZINC000593055978 520714051 /nfs/dbraw/zinc/71/40/51/520714051.db2.gz WKAOFMUHDGDNII-ZFWWWQNUSA-N 1 2 365.430 2.820 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](OC(C)C)C2)c([N+](=O)[O-])c1 ZINC000593055978 520714058 /nfs/dbraw/zinc/71/40/58/520714058.db2.gz WKAOFMUHDGDNII-ZFWWWQNUSA-N 1 2 365.430 2.820 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1c(Br)cnn1C ZINC000601292841 520727207 /nfs/dbraw/zinc/72/72/07/520727207.db2.gz VCBDBFPDZIQPET-VIFPVBQESA-N 1 2 369.219 2.950 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+](C)CCOC(C)(C)C)c([N+](=O)[O-])c1 ZINC000610859722 520876902 /nfs/dbraw/zinc/87/69/02/520876902.db2.gz JZXOGMWUYXEVJH-UHFFFAOYSA-N 1 2 353.419 2.679 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+](C)CCOC(C)(C)C)c([N+](=O)[O-])c1 ZINC000610859722 520876909 /nfs/dbraw/zinc/87/69/09/520876909.db2.gz JZXOGMWUYXEVJH-UHFFFAOYSA-N 1 2 353.419 2.679 20 5 FFBDLO O=[N+]([O-])c1cccc(Br)c1N1CC[NH+](C2CCOCC2)CC1 ZINC000596149098 520939792 /nfs/dbraw/zinc/93/97/92/520939792.db2.gz PLIOWMFRYTWZNH-UHFFFAOYSA-N 1 2 370.247 2.658 20 5 FFBDLO O=[N+]([O-])c1cc2c(cc1C[NH+]1CCN(c3ccccc3)CC1)OCCO2 ZINC000611249417 521056755 /nfs/dbraw/zinc/05/67/55/521056755.db2.gz DCESFBGBBJKLTA-UHFFFAOYSA-N 1 2 355.394 2.688 20 5 FFBDLO Cc1cc(N2CC[C@@H](O)C(F)(F)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596431025 521066769 /nfs/dbraw/zinc/06/67/69/521066769.db2.gz VLDJKGGPPDMXOC-CYBMUJFWSA-N 1 2 350.325 2.567 20 5 FFBDLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611276034 521075625 /nfs/dbraw/zinc/07/56/25/521075625.db2.gz BVKCWIIQSRJMSQ-AWEZNQCLSA-N 1 2 358.398 2.609 20 5 FFBDLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611276034 521075633 /nfs/dbraw/zinc/07/56/33/521075633.db2.gz BVKCWIIQSRJMSQ-AWEZNQCLSA-N 1 2 358.398 2.609 20 5 FFBDLO CC[C@@H]([NH2+]CC1=Nc2ccccc2S(=O)(=O)N1)c1cccc([N+](=O)[O-])c1 ZINC000611403578 521138550 /nfs/dbraw/zinc/13/85/50/521138550.db2.gz SLSWFNQXDTYWSS-CQSZACIVSA-N 1 2 374.422 2.658 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(C(=O)c2cccn2C)CC1 ZINC000611515349 521196050 /nfs/dbraw/zinc/19/60/50/521196050.db2.gz MODBARCCJBBIBU-HNNXBMFYSA-N 1 2 356.426 2.761 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H](OC(F)F)C3)n2)cc1 ZINC000611577238 521229456 /nfs/dbraw/zinc/22/94/56/521229456.db2.gz GXFBMQMRUASJEK-LBPRGKRZSA-N 1 2 354.313 2.848 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H](OC(F)F)C3)n2)cc1 ZINC000611577238 521229464 /nfs/dbraw/zinc/22/94/64/521229464.db2.gz GXFBMQMRUASJEK-LBPRGKRZSA-N 1 2 354.313 2.848 20 5 FFBDLO Cc1c(CN2CCc3[nH+]c[nH]c3[C@@H]2c2ccnn2C)cccc1[N+](=O)[O-] ZINC000599444575 521230985 /nfs/dbraw/zinc/23/09/85/521230985.db2.gz JYCWWNUDRPTDQL-SFHVURJKSA-N 1 2 352.398 2.508 20 5 FFBDLO Cn1nccc1[C@@H]1c2[nH]c[nH+]c2CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599444085 521231107 /nfs/dbraw/zinc/23/11/07/521231107.db2.gz GSWRZKHTIVKHCJ-QGZVFWFLSA-N 1 2 372.816 2.853 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCOc2ccccc2C1 ZINC000619151967 521419870 /nfs/dbraw/zinc/41/98/70/521419870.db2.gz NIAVPWRBPSDICQ-UHFFFAOYSA-N 1 2 369.421 2.826 20 5 FFBDLO C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000602643404 521452871 /nfs/dbraw/zinc/45/28/71/521452871.db2.gz GAJPWYCTWOJHSC-ABAIWWIYSA-N 1 2 360.332 2.993 20 5 FFBDLO C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000602643404 521452877 /nfs/dbraw/zinc/45/28/77/521452877.db2.gz GAJPWYCTWOJHSC-ABAIWWIYSA-N 1 2 360.332 2.993 20 5 FFBDLO CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@H]1CCCCO1 ZINC000594179274 521453692 /nfs/dbraw/zinc/45/36/92/521453692.db2.gz WZGVQVGLVUFHDN-WMLDXEAASA-N 1 2 358.398 2.858 20 5 FFBDLO Nc1c(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cc(Cl)cc1[N+](=O)[O-] ZINC000597094331 521500150 /nfs/dbraw/zinc/50/01/50/521500150.db2.gz DNHAKCNZMOTILD-UHFFFAOYSA-N 1 2 364.793 2.896 20 5 FFBDLO Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000597118021 521518023 /nfs/dbraw/zinc/51/80/23/521518023.db2.gz URLCFNCTZVZTBF-UHFFFAOYSA-N 1 2 354.292 2.513 20 5 FFBDLO Cn1cc(C[N@H+](CC(=O)Nc2ccc(F)cc2)C(C)(C)C)c([N+](=O)[O-])n1 ZINC000602795306 521538725 /nfs/dbraw/zinc/53/87/25/521538725.db2.gz LJTPGCDJQPEPIX-UHFFFAOYSA-N 1 2 363.393 2.707 20 5 FFBDLO Cn1cc(C[N@@H+](CC(=O)Nc2ccc(F)cc2)C(C)(C)C)c([N+](=O)[O-])n1 ZINC000602795306 521538735 /nfs/dbraw/zinc/53/87/35/521538735.db2.gz LJTPGCDJQPEPIX-UHFFFAOYSA-N 1 2 363.393 2.707 20 5 FFBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCOC(C3CC3)(C3CC3)C1)OCCO2 ZINC000597225530 521584490 /nfs/dbraw/zinc/58/44/90/521584490.db2.gz FAZVLVPAPRMKJJ-UHFFFAOYSA-N 1 2 360.410 2.757 20 5 FFBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCOC(C3CC3)(C3CC3)C1)OCCO2 ZINC000597225530 521584496 /nfs/dbraw/zinc/58/44/96/521584496.db2.gz FAZVLVPAPRMKJJ-UHFFFAOYSA-N 1 2 360.410 2.757 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](Nc1ncc([N+](=O)[O-])c(N)n1)c1ccc(Cl)cc1 ZINC000495420092 561487753 /nfs/dbraw/zinc/48/77/53/561487753.db2.gz FAZUKEKNSZEHJA-LBPRGKRZSA-N 1 2 359.777 2.555 20 5 FFBDLO O=[N+]([O-])c1cnc(Nc2ccc([NH+]3CCCCC3)cc2)c(-c2nn[nH]n2)c1 ZINC000823651418 599337131 /nfs/dbraw/zinc/33/71/31/599337131.db2.gz JALPTVWRLCKBJJ-UHFFFAOYSA-N 1 2 366.385 2.904 20 5 FFBDLO O=C(NCCCn1cc[nH+]c1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000155195744 728822849 /nfs/dbraw/zinc/82/28/49/728822849.db2.gz AKRJNCYSCXJEGL-UHFFFAOYSA-N 1 2 368.191 2.766 20 5 FFBDLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000898494051 735369610 /nfs/dbraw/zinc/36/96/10/735369610.db2.gz DPYDTZZWYPVJOM-LLVKDONJSA-N 1 2 374.210 2.521 20 5 FFBDLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000898494051 735369613 /nfs/dbraw/zinc/36/96/13/735369613.db2.gz DPYDTZZWYPVJOM-LLVKDONJSA-N 1 2 374.210 2.521 20 5 FFBDLO Cc1ccc(S(=O)(=O)Oc2ccc(-n3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC000023863313 727849268 /nfs/dbraw/zinc/84/92/68/727849268.db2.gz RTXCRNPYSKNSPU-UHFFFAOYSA-N 1 2 359.363 2.857 20 5 FFBDLO Cn1c(Cl)cnc1COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000043852812 727974667 /nfs/dbraw/zinc/97/46/67/727974667.db2.gz VDZQBYPYHUNTBQ-UHFFFAOYSA-N 1 2 361.745 2.524 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(-n3cc[nH+]c3)cc2)c(F)c1 ZINC000055957110 728099016 /nfs/dbraw/zinc/09/90/16/728099016.db2.gz UKGQZTRPXXWXIJ-UHFFFAOYSA-N 1 2 363.326 2.687 20 5 FFBDLO O=[N+]([O-])c1cc(S(=O)(=O)N(CC(F)(F)F)c2cc[nH+]cc2)cs1 ZINC000120141708 728606851 /nfs/dbraw/zinc/60/68/51/728606851.db2.gz NDCGNJHQWSEJAZ-UHFFFAOYSA-N 1 2 367.330 2.809 20 5 FFBDLO Cc1cc(NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)ncc1[N+](=O)[O-] ZINC000866169275 731037143 /nfs/dbraw/zinc/03/71/43/731037143.db2.gz FHRLXJPTJSUOOD-UHFFFAOYSA-N 1 2 350.419 2.516 20 5 FFBDLO COc1cccc([C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c(C)s3)CC[NH2+]2)c1 ZINC000870147590 731475162 /nfs/dbraw/zinc/47/51/62/731475162.db2.gz FKVJZAOCTUHJTH-AWEZNQCLSA-N 1 2 361.423 2.760 20 5 FFBDLO CC(C)(O)C1CC[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000879625720 732735869 /nfs/dbraw/zinc/73/58/69/732735869.db2.gz ASZAVMZDCJRTJQ-UHFFFAOYSA-N 1 2 355.822 2.670 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@@H](C(F)(F)F)C1 ZINC000888023185 734006096 /nfs/dbraw/zinc/00/60/96/734006096.db2.gz PQULZAHQRSRIMF-LLVKDONJSA-N 1 2 354.288 2.805 20 5 FFBDLO C[NH+](C)Cc1csc(CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)n1 ZINC000927767940 738780837 /nfs/dbraw/zinc/78/08/37/738780837.db2.gz GCDJCYXVHAEZLV-UHFFFAOYSA-N 1 2 370.381 2.521 20 5 FFBDLO C[NH+](C)Cc1csc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000927771379 738781801 /nfs/dbraw/zinc/78/18/01/738781801.db2.gz QLSVIMKDSLQIKE-UHFFFAOYSA-N 1 2 354.819 2.696 20 5 FFBDLO CCOC(=O)c1cc(NCc2nc(C[NH+](C)C)cs2)ccc1[N+](=O)[O-] ZINC000895484669 735013666 /nfs/dbraw/zinc/01/36/66/735013666.db2.gz SOYGAMUPUBOVIZ-UHFFFAOYSA-N 1 2 364.427 2.902 20 5 FFBDLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897731250 735270627 /nfs/dbraw/zinc/27/06/27/735270627.db2.gz YLDXNGVUBZZLHF-ZETCQYMHSA-N 1 2 373.171 2.982 20 5 FFBDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000901189776 735755153 /nfs/dbraw/zinc/75/51/53/735755153.db2.gz HKNHDWCQBJLDBH-LLVKDONJSA-N 1 2 364.764 2.791 20 5 FFBDLO Cc1c(Br)cc(C(=O)OCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000753558972 736078376 /nfs/dbraw/zinc/07/83/76/736078376.db2.gz QWIHGUGOGNROQI-UHFFFAOYSA-N 1 2 354.160 2.756 20 5 FFBDLO C[C@@H](CNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)Cn1cc[nH+]c1 ZINC000906766189 736541325 /nfs/dbraw/zinc/54/13/25/736541325.db2.gz NEKMCEAZLVNFCI-LBPRGKRZSA-N 1 2 350.806 2.830 20 5 FFBDLO O=[N+]([O-])c1ccc(CN2CC[NH+](Cc3ccsc3)CC2)c([N+](=O)[O-])c1 ZINC000774820917 738029809 /nfs/dbraw/zinc/02/98/09/738029809.db2.gz JLJXLDLHGTUUFM-UHFFFAOYSA-N 1 2 362.411 2.882 20 5 FFBDLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])CC1(C)C ZINC000931994068 739368301 /nfs/dbraw/zinc/36/83/01/739368301.db2.gz ODCIDXAYVQQWBT-CYBMUJFWSA-N 1 2 350.419 2.725 20 5 FFBDLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])CC1(C)C ZINC000931994068 739368305 /nfs/dbraw/zinc/36/83/05/739368305.db2.gz ODCIDXAYVQQWBT-CYBMUJFWSA-N 1 2 350.419 2.725 20 5 FFBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCCn1cc[nH+]c1 ZINC000792476372 739674055 /nfs/dbraw/zinc/67/40/55/739674055.db2.gz VIMRJBBDCBOIIV-UHFFFAOYSA-N 1 2 354.160 2.719 20 5 FFBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](C/C=C/c2ccc(Cl)cc2)CC1 ZINC000981136905 741137259 /nfs/dbraw/zinc/13/72/59/741137259.db2.gz LIKWDOAHYGCRCF-GPOOKRAHSA-N 1 2 363.845 2.553 20 5 FFBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](C/C=C/c2ccc(Cl)cc2)CC1 ZINC000981136905 741137264 /nfs/dbraw/zinc/13/72/64/741137264.db2.gz LIKWDOAHYGCRCF-GPOOKRAHSA-N 1 2 363.845 2.553 20 5 FFBDLO O=C1NC2(CO1)CC[NH+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])CC2 ZINC000809975022 741368419 /nfs/dbraw/zinc/36/84/19/741368419.db2.gz TXXSWDXLMZWDDL-UHFFFAOYSA-N 1 2 360.197 2.976 20 5 FFBDLO Cc1cnn([C@H]2CC[N@H+](CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])C2)c1 ZINC000810123695 741390851 /nfs/dbraw/zinc/39/08/51/741390851.db2.gz REVVCKIVIVBVSH-ZDUSSCGKSA-N 1 2 363.805 2.639 20 5 FFBDLO Cc1cnn([C@H]2CC[N@@H+](CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])C2)c1 ZINC000810123695 741390856 /nfs/dbraw/zinc/39/08/56/741390856.db2.gz REVVCKIVIVBVSH-ZDUSSCGKSA-N 1 2 363.805 2.639 20 5 FFBDLO Cc1nn(C[N@H+]2C[C@H](C(=O)OC(C)(C)C)CC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000817363570 742130179 /nfs/dbraw/zinc/13/01/79/742130179.db2.gz GGBIUEXHOOWIQG-SMDDNHRTSA-N 1 2 352.435 2.808 20 5 FFBDLO Cc1nn(C[N@@H+]2C[C@H](C(=O)OC(C)(C)C)CC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000817363570 742130182 /nfs/dbraw/zinc/13/01/82/742130182.db2.gz GGBIUEXHOOWIQG-SMDDNHRTSA-N 1 2 352.435 2.808 20 5 FFBDLO COC1(C(F)(F)F)CC[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000841688541 747432122 /nfs/dbraw/zinc/43/21/22/747432122.db2.gz IYVZIVWXQCGWNU-UHFFFAOYSA-N 1 2 358.320 2.945 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000852534166 749885986 /nfs/dbraw/zinc/88/59/86/749885986.db2.gz HZNUKTLCBGEQSB-OHUAYANFSA-N 1 2 353.806 2.544 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000852534166 749885990 /nfs/dbraw/zinc/88/59/90/749885990.db2.gz HZNUKTLCBGEQSB-OHUAYANFSA-N 1 2 353.806 2.544 20 5 FFBDLO Cc1nn(C[NH+]2CCC(NC(=O)c3ccc(C)cc3)CC2)c(C)c1[N+](=O)[O-] ZINC000872640402 1013242203 /nfs/dbraw/zinc/24/22/03/1013242203.db2.gz GVDOUBQSILZPPY-UHFFFAOYSA-N 1 2 371.441 2.568 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC001175029325 1013371274 /nfs/dbraw/zinc/37/12/74/1013371274.db2.gz BIMSGPYIVYEFFB-RKVPGOIHSA-N 1 2 370.409 2.546 20 5 FFBDLO COc1cc(C(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000874896333 1013927446 /nfs/dbraw/zinc/92/74/46/1013927446.db2.gz LJKFIFBYVWYIJC-OAHLLOKOSA-N 1 2 359.357 2.529 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000895350391 970447992 /nfs/dbraw/zinc/44/79/92/970447992.db2.gz BHIPMOXVMITENE-UHFFFAOYSA-N 1 2 356.382 2.857 20 5 FFBDLO Cc1noc2ncc(C[NH+]3CCN(c4cccc([N+](=O)[O-])c4)CC3)cc12 ZINC000893966309 977617467 /nfs/dbraw/zinc/61/74/67/977617467.db2.gz ODBQCGVVELJSCA-UHFFFAOYSA-N 1 2 353.382 2.762 20 5 FFBDLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1cc([N+](=O)[O-])ccc1F ZINC000733090887 989772609 /nfs/dbraw/zinc/77/26/09/989772609.db2.gz KCVZHULXCIAEJR-UHFFFAOYSA-N 1 2 354.341 2.909 20 5 FFBDLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC001132589389 995018152 /nfs/dbraw/zinc/01/81/52/995018152.db2.gz MAVNLLOGIBCNKR-IBGZPJMESA-N 1 2 369.421 2.534 20 5 FFBDLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC001132589389 995018158 /nfs/dbraw/zinc/01/81/58/995018158.db2.gz MAVNLLOGIBCNKR-IBGZPJMESA-N 1 2 369.421 2.534 20 5 FFBDLO C[C@@H]1C(=O)CC[C@H]1CC(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173518 995633704 /nfs/dbraw/zinc/63/37/04/995633704.db2.gz DGKCOKHXEMNMIU-QRTARXTBSA-N 1 2 360.410 2.718 20 5 FFBDLO C[C@@H]1C(=O)CC[C@H]1CC(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173518 995633707 /nfs/dbraw/zinc/63/37/07/995633707.db2.gz DGKCOKHXEMNMIU-QRTARXTBSA-N 1 2 360.410 2.718 20 5 FFBDLO C[C@H](C[C@H](O)c1ccco1)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001137274697 1016062687 /nfs/dbraw/zinc/06/26/87/1016062687.db2.gz CQTWAVFBFMQVQF-WBMJQRKESA-N 1 2 370.365 2.616 20 5 FFBDLO O=C(OCc1cnn2c1CCCC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000845897292 998686552 /nfs/dbraw/zinc/68/65/52/998686552.db2.gz GRGGSOPZXJDPAH-UHFFFAOYSA-N 1 2 367.365 2.670 20 5 FFBDLO C[C@@H](C(=O)OCCOc1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000740987808 999696238 /nfs/dbraw/zinc/69/62/38/999696238.db2.gz RVRAXFZEOXVWMV-HNNXBMFYSA-N 1 2 370.405 2.964 20 5 FFBDLO C[C@@H](C(=O)OCCOc1cccc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000740987808 999696242 /nfs/dbraw/zinc/69/62/42/999696242.db2.gz RVRAXFZEOXVWMV-HNNXBMFYSA-N 1 2 370.405 2.964 20 5 FFBDLO C[C@@H](C(=O)OCCOc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000740988385 999696576 /nfs/dbraw/zinc/69/65/76/999696576.db2.gz ZSFCJZBVTYOTHN-HNNXBMFYSA-N 1 2 370.405 2.964 20 5 FFBDLO C[C@@H](C(=O)OCCOc1ccccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000740988385 999696577 /nfs/dbraw/zinc/69/65/77/999696577.db2.gz ZSFCJZBVTYOTHN-HNNXBMFYSA-N 1 2 370.405 2.964 20 5 FFBDLO C[C@H](OC(=O)[C@@H]1CCCC[N@@H+]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000741148222 999711855 /nfs/dbraw/zinc/71/18/55/999711855.db2.gz YURPKJOCDJLJEH-FZMZJTMJSA-N 1 2 360.370 2.733 20 5 FFBDLO C[C@H](OC(=O)[C@@H]1CCCC[N@H+]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000741148222 999711858 /nfs/dbraw/zinc/71/18/58/999711858.db2.gz YURPKJOCDJLJEH-FZMZJTMJSA-N 1 2 360.370 2.733 20 5 FFBDLO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000742401513 999773813 /nfs/dbraw/zinc/77/38/13/999773813.db2.gz VGTMUJLQAKGDFS-OAHLLOKOSA-N 1 2 355.398 2.525 20 5 FFBDLO CCOC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168987054 1000015894 /nfs/dbraw/zinc/01/58/94/1000015894.db2.gz HGJYDQBMMHSZQF-IMJJTQAJSA-N 1 2 354.834 2.849 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@@](O)(c4ccc(F)cc4)C3)nc2c1 ZINC000769788779 1000603949 /nfs/dbraw/zinc/60/39/49/1000603949.db2.gz YKCYAAVDOURHQI-SFHVURJKSA-N 1 2 356.357 2.704 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@@](O)(c4ccc(F)cc4)C3)nc2c1 ZINC000769788779 1000603956 /nfs/dbraw/zinc/60/39/56/1000603956.db2.gz YKCYAAVDOURHQI-SFHVURJKSA-N 1 2 356.357 2.704 20 5 FFBDLO COc1ccc(C[C@H](C)N2CC[NH+](Cc3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC001170344398 1003132211 /nfs/dbraw/zinc/13/22/11/1003132211.db2.gz BSEBDHPKITZXRI-INIZCTEOSA-N 1 2 370.453 2.747 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001196909207 1004010382 /nfs/dbraw/zinc/01/03/82/1004010382.db2.gz UDVPFOJEGLHMMB-KRWDZBQOSA-N 1 2 361.354 2.509 20 5 FFBDLO O=C(NCCC[N@H+](Cc1c(F)cccc1Cl)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001490371822 1005701011 /nfs/dbraw/zinc/70/10/11/1005701011.db2.gz BAVYRYKEADMOFJ-MLGOLLRUSA-N 1 2 369.824 2.615 20 5 FFBDLO O=C(NCCC[N@@H+](Cc1c(F)cccc1Cl)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001490371822 1005701013 /nfs/dbraw/zinc/70/10/13/1005701013.db2.gz BAVYRYKEADMOFJ-MLGOLLRUSA-N 1 2 369.824 2.615 20 5 FFBDLO CC[N@H+]1[C@H](C)CN(c2ncc([N+](=O)[O-])c(C)c2Br)C[C@@H]1C ZINC001187445090 1006083489 /nfs/dbraw/zinc/08/34/89/1006083489.db2.gz GCCACIFTUJKJLF-AOOOYVTPSA-N 1 2 357.252 2.980 20 5 FFBDLO CC[N@@H+]1[C@H](C)CN(c2ncc([N+](=O)[O-])c(C)c2Br)C[C@@H]1C ZINC001187445090 1006083497 /nfs/dbraw/zinc/08/34/97/1006083497.db2.gz GCCACIFTUJKJLF-AOOOYVTPSA-N 1 2 357.252 2.980 20 5 FFBDLO C[C@H]1COC2(CCCC2)C[N@@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000853580307 1006456736 /nfs/dbraw/zinc/45/67/36/1006456736.db2.gz VXWBMHQTWKXEOB-AWEZNQCLSA-N 1 2 357.414 2.844 20 5 FFBDLO C[C@H]1COC2(CCCC2)C[N@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000853580307 1006456741 /nfs/dbraw/zinc/45/67/41/1006456741.db2.gz VXWBMHQTWKXEOB-AWEZNQCLSA-N 1 2 357.414 2.844 20 5 FFBDLO CC(C)CCO[C@@H]1CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853635972 1006488621 /nfs/dbraw/zinc/48/86/21/1006488621.db2.gz PHSGEQXACWYONC-OAHLLOKOSA-N 1 2 359.430 2.948 20 5 FFBDLO CC(C)CCO[C@@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853635972 1006488629 /nfs/dbraw/zinc/48/86/29/1006488629.db2.gz PHSGEQXACWYONC-OAHLLOKOSA-N 1 2 359.430 2.948 20 5 FFBDLO C[C@H](Nc1cc(N2CCC(C)(O)CC2)nc[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000853649995 1006492945 /nfs/dbraw/zinc/49/29/45/1006492945.db2.gz JOFASDQLHUMNKP-ZDUSSCGKSA-N 1 2 357.414 2.909 20 5 FFBDLO C[C@H](Nc1cc(N2CCC(C)(O)CC2)[nH+]cn1)c1ccc([N+](=O)[O-])cc1 ZINC000853649995 1006492951 /nfs/dbraw/zinc/49/29/51/1006492951.db2.gz JOFASDQLHUMNKP-ZDUSSCGKSA-N 1 2 357.414 2.909 20 5 FFBDLO CC1(c2nnc(C3CCOCC3)o2)C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000854074940 1006661062 /nfs/dbraw/zinc/66/10/62/1006661062.db2.gz WQPMNJMSHBUXRP-UHFFFAOYSA-N 1 2 358.398 2.645 20 5 FFBDLO O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1C[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000817370995 1007565619 /nfs/dbraw/zinc/56/56/19/1007565619.db2.gz QJILPAVXCQATJU-HNNXBMFYSA-N 1 2 358.398 2.881 20 5 FFBDLO O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1C[N@H+]1CC[C@H](C2CCCC2)C1 ZINC000817370995 1007565627 /nfs/dbraw/zinc/56/56/27/1007565627.db2.gz QJILPAVXCQATJU-HNNXBMFYSA-N 1 2 358.398 2.881 20 5 FFBDLO Cc1ccc(O[C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)nc1 ZINC000858038947 1008286740 /nfs/dbraw/zinc/28/67/40/1008286740.db2.gz ZPEVFAGGFVNQGY-CABCVRRESA-N 1 2 370.409 2.779 20 5 FFBDLO Cc1ccc(O[C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)nc1 ZINC000858038947 1008286744 /nfs/dbraw/zinc/28/67/44/1008286744.db2.gz ZPEVFAGGFVNQGY-CABCVRRESA-N 1 2 370.409 2.779 20 5 FFBDLO O=C(OCc1noc(C2CCC2)n1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000859664127 1008610306 /nfs/dbraw/zinc/61/03/06/1008610306.db2.gz ZICNTHMXMJRQEK-UHFFFAOYSA-N 1 2 369.337 2.788 20 5 FFBDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000822726661 1008746617 /nfs/dbraw/zinc/74/66/17/1008746617.db2.gz TVAZKQLABCBLMM-QGZVFWFLSA-N 1 2 372.425 2.985 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]C[C@H]1CC2(CCC2)CO1)c1ccc([N+](=O)[O-])cc1 ZINC000886701505 1008829501 /nfs/dbraw/zinc/82/95/01/1008829501.db2.gz QKVPHLFKQJZHFR-SJORKVTESA-N 1 2 356.426 2.967 20 5 FFBDLO C[C@@H]1C[N@H+](CCNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)[C@H](C)CO1 ZINC000862169866 1009731234 /nfs/dbraw/zinc/73/12/34/1009731234.db2.gz CDGPQPFJGXZDIA-ZIAGYGMSSA-N 1 2 357.410 2.587 20 5 FFBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)[C@H](C)CO1 ZINC000862169866 1009731245 /nfs/dbraw/zinc/73/12/45/1009731245.db2.gz CDGPQPFJGXZDIA-ZIAGYGMSSA-N 1 2 357.410 2.587 20 5 FFBDLO 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O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1Oc3ccc(CCO)cc3O1)CC2 ZINC001172907175 1012076987 /nfs/dbraw/zinc/07/69/87/1012076987.db2.gz QCBJNTHBOCJBSG-UZLBHIALSA-N 1 2 370.405 2.722 20 5 FFBDLO COC(=O)[C@@H]([NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C1CCCC1 ZINC001173185357 1012330043 /nfs/dbraw/zinc/33/00/43/1012330043.db2.gz YQCGRNGCMCSVPI-GTNSWQLSSA-N 1 2 368.405 2.995 20 5 FFBDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000800500668 1020361980 /nfs/dbraw/zinc/36/19/80/1020361980.db2.gz TYXWIMYSBQSQKU-KXBFYZLASA-N 1 2 371.437 2.780 20 5 FFBDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000800500668 1020361986 /nfs/dbraw/zinc/36/19/86/1020361986.db2.gz TYXWIMYSBQSQKU-KXBFYZLASA-N 1 2 371.437 2.780 20 5 FFBDLO Cc1cc2nc3nc(=O)[nH]c(O[C@@H](C)C4CC[NH2+]CC4)c3nc2cc1C ZINC001218006513 1032947000 /nfs/dbraw/zinc/94/70/00/1032947000.db2.gz RJBVYIQJYBIQAV-LBPRGKRZSA-N 1 2 353.426 2.662 20 5 FFBDLO O=[N+]([O-])c1cc(F)cc(Br)c1O[C@H]1CC[NH2+]CC1(F)F ZINC001218010703 1032949204 /nfs/dbraw/zinc/94/92/04/1032949204.db2.gz RLIZOCZNGMAFJZ-VIFPVBQESA-N 1 2 355.110 2.872 20 5 FFBDLO O=[N+]([O-])c1cc(F)c(O[C@@H]2CC[NH2+]CC2(F)F)c(Br)c1 ZINC001218011028 1032949320 /nfs/dbraw/zinc/94/93/20/1032949320.db2.gz SVASERVYQZBTRP-SECBINFHSA-N 1 2 355.110 2.872 20 5 FFBDLO C[N@H+](CC(F)F)C1CCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000933707647 1021073887 /nfs/dbraw/zinc/07/38/87/1021073887.db2.gz UKJIYDNTVGKUIX-CVEARBPZSA-N 1 2 367.396 2.886 20 5 FFBDLO C[N@@H+](CC(F)F)C1CCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000933707647 1021073895 /nfs/dbraw/zinc/07/38/95/1021073895.db2.gz UKJIYDNTVGKUIX-CVEARBPZSA-N 1 2 367.396 2.886 20 5 FFBDLO C[N@H+](CC(F)F)C1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000933707650 1021074426 /nfs/dbraw/zinc/07/44/26/1021074426.db2.gz UKJIYDNTVGKUIX-HZPDHXFCSA-N 1 2 367.396 2.886 20 5 FFBDLO C[N@@H+](CC(F)F)C1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000933707650 1021074433 /nfs/dbraw/zinc/07/44/33/1021074433.db2.gz UKJIYDNTVGKUIX-HZPDHXFCSA-N 1 2 367.396 2.886 20 5 FFBDLO O=c1ccc2ncc(O[C@@H]3CC[NH2+]CC3(F)F)c3c4ccccc4n1c32 ZINC001218011715 1032952360 /nfs/dbraw/zinc/95/23/60/1032952360.db2.gz DTUOQSQHHOIEQJ-OAHLLOKOSA-N 1 2 355.344 2.815 20 5 FFBDLO CC(=O)c1ccccc1OCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000016515893 1022249134 /nfs/dbraw/zinc/24/91/34/1022249134.db2.gz RYMYCXGSDQVQDP-UHFFFAOYSA-N 1 2 369.421 2.998 20 5 FFBDLO COC(=O)c1cccc([N+](=O)[O-])c1COC1C[NH+](Cc2ccccc2)C1 ZINC001222773914 1033155311 /nfs/dbraw/zinc/15/53/11/1033155311.db2.gz MRVOMELPUZTBHN-UHFFFAOYSA-N 1 2 356.378 2.782 20 5 FFBDLO CC1(C)[C@H](OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H]2CCO[C@H]21 ZINC000247455741 1027069617 /nfs/dbraw/zinc/06/96/17/1027069617.db2.gz ZWDCPSOXOGRFRU-DAXOMENPSA-N 1 2 357.366 2.751 20 5 FFBDLO C[C@H]1C[NH+](C2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C2)C[C@H](C)O1 ZINC001158727364 1027111142 /nfs/dbraw/zinc/11/11/42/1027111142.db2.gz XRDJNNVNIJDBTI-GJZGRUSLSA-N 1 2 368.437 2.955 20 5 FFBDLO Cc1c(C)c(N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)ncc1[N+](=O)[O-] ZINC001165691225 1030084981 /nfs/dbraw/zinc/08/49/81/1030084981.db2.gz QFSGUXIWMFWXLV-INIZCTEOSA-N 1 2 371.441 2.866 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])c(N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)n1 ZINC001165691677 1030086012 /nfs/dbraw/zinc/08/60/12/1030086012.db2.gz STSOBLWAUJXXKP-MRXNPFEDSA-N 1 2 371.441 2.866 20 5 FFBDLO COc1cccc(OC)c1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001205114441 1031533250 /nfs/dbraw/zinc/53/32/50/1031533250.db2.gz GGAYVRZCXNIRGI-UHFFFAOYSA-N 1 2 357.410 2.934 20 5 FFBDLO CCOc1cc(C[NH+]2CCN(c3ccnc(F)c3)CC2)ccc1[N+](=O)[O-] ZINC000831463009 1034087243 /nfs/dbraw/zinc/08/72/43/1034087243.db2.gz MGCJCLXEYXQFKJ-UHFFFAOYSA-N 1 2 360.389 2.850 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1F 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/nfs/dbraw/zinc/44/38/44/1036443844.db2.gz VLFSELJYYGSXCS-INIZCTEOSA-N 1 2 374.393 2.676 20 5 FFBDLO O=[N+]([O-])c1c(O)cc(O)cc1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001228974653 1036443848 /nfs/dbraw/zinc/44/38/48/1036443848.db2.gz VLFSELJYYGSXCS-INIZCTEOSA-N 1 2 374.393 2.676 20 5 FFBDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc4c(c3)oc(=O)c3cc(O)ccc43)[C@H]1CC(=O)C2 ZINC001229798143 1036903686 /nfs/dbraw/zinc/90/36/86/1036903686.db2.gz SFHYZLGGJXSLGT-QXJJSNKBSA-N 1 2 365.385 2.835 20 5 FFBDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc4c(c3)oc(=O)c3cc(O)ccc43)[C@H]1CC(=O)C2 ZINC001229798143 1036903698 /nfs/dbraw/zinc/90/36/98/1036903698.db2.gz SFHYZLGGJXSLGT-QXJJSNKBSA-N 1 2 365.385 2.835 20 5 FFBDLO C[N@@H+]1CCO[C@H](COc2c([N+](=O)[O-])cc(C(C)(C)C)cc2[N+](=O)[O-])C1 ZINC001231198208 1037497069 /nfs/dbraw/zinc/49/70/69/1037497069.db2.gz NRVXIYMGWWHXBN-LBPRGKRZSA-N 1 2 353.375 2.510 20 5 FFBDLO C[N@H+]1CCO[C@H](COc2c([N+](=O)[O-])cc(C(C)(C)C)cc2[N+](=O)[O-])C1 ZINC001231198208 1037497071 /nfs/dbraw/zinc/49/70/71/1037497071.db2.gz NRVXIYMGWWHXBN-LBPRGKRZSA-N 1 2 353.375 2.510 20 5 FFBDLO O=C(N[C@H]1CCCc2cccnc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001537092522 1070118551 /nfs/dbraw/zinc/11/85/51/1070118551.db2.gz BYIKQFZPGVBCHH-HNNXBMFYSA-N 1 2 363.377 2.983 20 5 FFBDLO OCC[NH+](CCO)Cc1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001247552867 1039804338 /nfs/dbraw/zinc/80/43/38/1039804338.db2.gz IUEUBJAPLDUEAF-UHFFFAOYSA-N 1 2 363.417 2.830 20 5 FFBDLO COc1cccc([C@H](c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)[NH+](C)C)c1 ZINC001249042726 1040560513 /nfs/dbraw/zinc/56/05/13/1040560513.db2.gz NRGCKXYNWSVPTK-OAHLLOKOSA-N 1 2 373.344 2.839 20 5 FFBDLO O=C(NC[C@@H]1OCc2ccccc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001537911177 1070290504 /nfs/dbraw/zinc/29/05/04/1070290504.db2.gz QXSJCXMVOKYRCK-SFHVURJKSA-N 1 2 364.361 2.782 20 5 FFBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC001254550120 1040792658 /nfs/dbraw/zinc/79/26/58/1040792658.db2.gz CXDCUHHADIFKRR-MRXNPFEDSA-N 1 2 353.422 2.984 20 5 FFBDLO Cc1ncc([N+](=O)[O-])cc1Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001249548105 1040858392 /nfs/dbraw/zinc/85/83/92/1040858392.db2.gz HSQPZICADFAIOB-UHFFFAOYSA-N 1 2 358.398 2.753 20 5 FFBDLO C[C@H](C(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)n1cc[nH+]c1 ZINC001261364729 1041186188 /nfs/dbraw/zinc/18/61/88/1041186188.db2.gz TUGSMHISHZCHRE-PRHODGIISA-N 1 2 360.267 2.911 20 5 FFBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC001310800811 1043742650 /nfs/dbraw/zinc/74/26/50/1043742650.db2.gz KBFAXFGKOXVQAS-VXGBXAGGSA-N 1 2 370.837 2.787 20 5 FFBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC001313445221 1044364857 /nfs/dbraw/zinc/36/48/57/1044364857.db2.gz RSFOCQLRWHZKBE-RTBURBONSA-N 1 2 363.417 2.566 20 5 FFBDLO CC(C)Oc1cnccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001539309963 1070609919 /nfs/dbraw/zinc/60/99/19/1070609919.db2.gz JSBSLYNLYQOZPN-UHFFFAOYSA-N 1 2 367.365 2.637 20 5 FFBDLO Cn1nc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c2ccccc21 ZINC001539707682 1070685114 /nfs/dbraw/zinc/68/51/14/1070685114.db2.gz ZKQINGCCJQAXMJ-UHFFFAOYSA-N 1 2 362.349 2.920 20 5 FFBDLO CC[C@@H]1C[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])[C@@H](CC)CN1C(C)=O ZINC001334138353 1049269420 /nfs/dbraw/zinc/26/94/20/1049269420.db2.gz CPLGAQXWKNYTDC-LSDHHAIUSA-N 1 2 365.430 2.530 20 5 FFBDLO CC[C@@H]1C[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])[C@@H](CC)CN1C(C)=O ZINC001334138353 1049269435 /nfs/dbraw/zinc/26/94/35/1049269435.db2.gz CPLGAQXWKNYTDC-LSDHHAIUSA-N 1 2 365.430 2.530 20 5 FFBDLO CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCC[NH+]1CCC(CO)CC1 ZINC001330699105 1049280244 /nfs/dbraw/zinc/28/02/44/1049280244.db2.gz ZKVNSISCANXWLU-ZDUSSCGKSA-N 1 2 353.488 2.672 20 5 FFBDLO COc1cc([N+](=O)[O-])c(C(=O)NCc2[nH]c(C)c(C)[nH+]2)cc1SC ZINC001294518341 1049763200 /nfs/dbraw/zinc/76/32/00/1049763200.db2.gz AENQTORYNGDMIF-UHFFFAOYSA-N 1 2 350.400 2.595 20 5 FFBDLO Cc1nc(N2CC[NH+](Cc3ccc(O)c(Cl)c3)CC2)ccc1[N+](=O)[O-] ZINC001307190080 1049914827 /nfs/dbraw/zinc/91/48/27/1049914827.db2.gz OSPDIHZULHNXDV-UHFFFAOYSA-N 1 2 362.817 2.979 20 5 FFBDLO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)C1CC1 ZINC001296779283 1050093682 /nfs/dbraw/zinc/09/36/82/1050093682.db2.gz QAMQDLDLZVVFCF-SFHVURJKSA-N 1 2 369.421 2.941 20 5 FFBDLO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)C1CC1 ZINC001296779283 1050093685 /nfs/dbraw/zinc/09/36/85/1050093685.db2.gz QAMQDLDLZVVFCF-SFHVURJKSA-N 1 2 369.421 2.941 20 5 FFBDLO O=[N+]([O-])c1ccc(OCCN2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC001307646733 1052330372 /nfs/dbraw/zinc/33/03/72/1052330372.db2.gz LABWSFVOIYNGAE-UHFFFAOYSA-N 1 2 359.401 2.931 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCCSC[C@H]2C)c([N+](=O)[O-])c1 ZINC001308142608 1052416331 /nfs/dbraw/zinc/41/63/31/1052416331.db2.gz QRHDGJYAMPVRKA-GFCCVEGCSA-N 1 2 353.444 2.759 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+]2CCCSC[C@H]2C)c([N+](=O)[O-])c1 ZINC001308142608 1052416335 /nfs/dbraw/zinc/41/63/35/1052416335.db2.gz QRHDGJYAMPVRKA-GFCCVEGCSA-N 1 2 353.444 2.759 20 5 FFBDLO C[C@H]([NH2+][C@H](CO)c1cc(F)ccc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001308159380 1052420545 /nfs/dbraw/zinc/42/05/45/1052420545.db2.gz INBDTNFKJYNXCU-MGPLVRAMSA-N 1 2 365.336 2.523 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCC(c3c[nH+]cn3C)CC2)c1F ZINC001348854047 1054962825 /nfs/dbraw/zinc/96/28/25/1054962825.db2.gz JAUDLZXQLGPNDA-UHFFFAOYSA-N 1 2 364.352 2.935 20 5 FFBDLO CCOc1ccc(C(=O)OCCc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC001518833127 1058516535 /nfs/dbraw/zinc/51/65/35/1058516535.db2.gz ZZGLWYBNSSRQIY-UHFFFAOYSA-N 1 2 359.382 2.926 20 5 FFBDLO CC1(C)C[NH+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)CC(C)(C)O1 ZINC000848485156 1060126144 /nfs/dbraw/zinc/12/61/44/1060126144.db2.gz KFPWNKRVRWZFPF-MRXNPFEDSA-N 1 2 361.442 2.758 20 5 FFBDLO C[C@H]1C[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C[C@]2(CCCOC2)O1 ZINC000848487317 1060133756 /nfs/dbraw/zinc/13/37/56/1060133756.db2.gz QZDHWVIZZMTFLP-KXBFYZLASA-N 1 2 372.425 2.686 20 5 FFBDLO C[C@H]1C[N@@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C[C@]2(CCCOC2)O1 ZINC000848487317 1060133761 /nfs/dbraw/zinc/13/37/61/1060133761.db2.gz QZDHWVIZZMTFLP-KXBFYZLASA-N 1 2 372.425 2.686 20 5 FFBDLO COc1ccc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC001517274550 1060430945 /nfs/dbraw/zinc/43/09/45/1060430945.db2.gz GKHCYWMIHHFJMX-LRDDRELGSA-N 1 2 359.386 2.915 20 5 FFBDLO Cc1ccc2c(c1)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c1)CO2 ZINC001517684888 1060593719 /nfs/dbraw/zinc/59/37/19/1060593719.db2.gz ARTZVDDVVQSXMX-OAHLLOKOSA-N 1 2 364.361 2.952 20 5 FFBDLO O=C(Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC001461498694 1061334443 /nfs/dbraw/zinc/33/44/43/1061334443.db2.gz CMCATPSXXBSCMC-UHFFFAOYSA-N 1 2 368.305 2.967 20 5 FFBDLO C[C@H]([NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)c1nnnn1C ZINC001461798464 1061409557 /nfs/dbraw/zinc/40/95/57/1061409557.db2.gz ZZXGHVKYAGLRKC-ZDUSSCGKSA-N 1 2 367.413 2.737 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)n1 ZINC001462452679 1061630156 /nfs/dbraw/zinc/63/01/56/1061630156.db2.gz BEXRAJOBGVSUQZ-KRWDZBQOSA-N 1 2 351.366 2.666 20 5 FFBDLO COc1ccc(F)c(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC001529606720 1062355578 /nfs/dbraw/zinc/35/55/78/1062355578.db2.gz WAPFYVMKOLYQOC-UHFFFAOYSA-N 1 2 370.340 2.858 20 5 FFBDLO O=C(NC[C@H]1Cc2ccccc2O1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001436270388 1062688398 /nfs/dbraw/zinc/68/83/98/1062688398.db2.gz AMXQYIBKYQXRCM-OAHLLOKOSA-N 1 2 364.361 2.514 20 5 FFBDLO O=C(OCC1CN(c2cccc[nH+]2)C1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001525874724 1063445378 /nfs/dbraw/zinc/44/53/78/1063445378.db2.gz XWDAXAMGTZQMLY-DLBZAZTESA-N 1 2 353.378 2.773 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]1c1[nH]c(C)c(C)[nH+]1 ZINC001473791145 1065363260 /nfs/dbraw/zinc/36/32/60/1065363260.db2.gz XKKHXAVRVYTOFL-OAHLLOKOSA-N 1 2 373.413 2.719 20 5 FFBDLO O=C(Nc1ccc2c(c1)C(=O)OC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001584125203 1079309848 /nfs/dbraw/zinc/30/98/48/1079309848.db2.gz FSYSSALNIBCPRU-UHFFFAOYSA-N 1 2 364.317 2.703 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1Cc2ccccc2CO1 ZINC001584247728 1079327659 /nfs/dbraw/zinc/32/76/59/1079327659.db2.gz UTTVASZHQFHLBM-UHFFFAOYSA-N 1 2 350.334 2.868 20 5 FFBDLO Cc1cc(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc(C)[nH+]1 ZINC001585390704 1079458897 /nfs/dbraw/zinc/45/88/97/1079458897.db2.gz VBTKSLOZIXZNCN-UHFFFAOYSA-N 1 2 351.366 2.722 20 5 FFBDLO CC(C)[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cnn(C)c1 ZINC001585744866 1079494623 /nfs/dbraw/zinc/49/46/23/1079494623.db2.gz NNCKEIKVUPUMLK-QGZVFWFLSA-N 1 2 368.397 2.641 20 5 FFBDLO CC(C)c1[nH]cc(CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)[nH+]1 ZINC001558561344 1076033467 /nfs/dbraw/zinc/03/34/67/1076033467.db2.gz PWJRRCBGBWRCJK-UHFFFAOYSA-N 1 2 354.370 2.557 20 5 FFBDLO CC(C)c1[nH]c(CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c[nH+]1 ZINC001558561344 1076033473 /nfs/dbraw/zinc/03/34/73/1076033473.db2.gz PWJRRCBGBWRCJK-UHFFFAOYSA-N 1 2 354.370 2.557 20 5 FFBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3sncc3Br)CC2)n1 ZINC001559805838 1076192768 /nfs/dbraw/zinc/19/27/68/1076192768.db2.gz ACDONFXRIXOUAB-UHFFFAOYSA-N 1 2 372.248 2.847 20 5 FFBDLO Cc1[nH]c(CNC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)[nH+]c1C ZINC001566257969 1076939122 /nfs/dbraw/zinc/93/91/22/1076939122.db2.gz MRRJEWFRDYKPHY-UHFFFAOYSA-N 1 2 367.203 2.936 20 5 FFBDLO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001586127129 1079554052 /nfs/dbraw/zinc/55/40/52/1079554052.db2.gz ZKINTXXGGNAZBY-INIZCTEOSA-N 1 2 359.813 2.964 20 5 FFBDLO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001586127132 1079554299 /nfs/dbraw/zinc/55/42/99/1079554299.db2.gz ZKINTXXGGNAZBY-MRXNPFEDSA-N 1 2 359.813 2.964 20 5 FFBDLO Cc1ccc(CNC(=O)c2cc(-n3cc[nH+]c3)ccc2O)cc1[N+](=O)[O-] ZINC001587560288 1079815120 /nfs/dbraw/zinc/81/51/20/1079815120.db2.gz XLSMNOMNZCIJAM-UHFFFAOYSA-N 1 2 352.350 2.725 20 5 FFBDLO CCn1nc(C)c([N+](=O)[O-])c1Nc1ccc([NH+]2CCC(C(N)=O)CC2)cc1 ZINC000192548123 251287295 /nfs/dbraw/zinc/28/72/95/251287295.db2.gz MJTYBVMOQKDLNG-UHFFFAOYSA-N 1 2 372.429 2.565 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000276278130 256086592 /nfs/dbraw/zinc/08/65/92/256086592.db2.gz MTHVNLGISZSTOR-GDBMZVCRSA-N 1 2 372.425 2.904 20 5 FFBDLO Cc1cc(NC(=O)N[C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)ccc1[N+](=O)[O-] ZINC000276091254 256071597 /nfs/dbraw/zinc/07/15/97/256071597.db2.gz VYPZHVDRAZCHSD-XJKSGUPXSA-N 1 2 359.386 2.679 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000277138199 256164592 /nfs/dbraw/zinc/16/45/92/256164592.db2.gz BUAUFVJGBKOOBM-UHFFFAOYSA-N 1 2 371.393 2.688 20 5 FFBDLO Cc1cc(N2CC[C@H](C)[S@@](=O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000277188186 256170071 /nfs/dbraw/zinc/17/00/71/256170071.db2.gz OJJLRACEWMQCCB-CANCMXDXSA-N 1 2 360.439 2.708 20 5 FFBDLO CCC[C@]1(CO)CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000278206544 256287471 /nfs/dbraw/zinc/28/74/71/256287471.db2.gz SMLWXHGGNGDVHS-GOSISDBHSA-N 1 2 358.398 2.548 20 5 FFBDLO C[N@@H+]1CCN(C(=O)c2sc(Br)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000278618281 256331196 /nfs/dbraw/zinc/33/11/96/256331196.db2.gz LRMMCFQXCSCGIP-UHFFFAOYSA-N 1 2 362.249 2.585 20 5 FFBDLO C[N@H+]1CCN(C(=O)c2sc(Br)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000278618281 256331197 /nfs/dbraw/zinc/33/11/97/256331197.db2.gz LRMMCFQXCSCGIP-UHFFFAOYSA-N 1 2 362.249 2.585 20 5 FFBDLO COc1cc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c([N+](=O)[O-])cc1F ZINC000279067729 256377919 /nfs/dbraw/zinc/37/79/19/256377919.db2.gz ADMDOGCXGIKLDS-NVGCLXPQSA-N 1 2 354.378 2.511 20 5 FFBDLO COc1cc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c([N+](=O)[O-])cc1F ZINC000279067729 256377921 /nfs/dbraw/zinc/37/79/21/256377921.db2.gz ADMDOGCXGIKLDS-NVGCLXPQSA-N 1 2 354.378 2.511 20 5 FFBDLO CC1(C)CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000279680706 256440765 /nfs/dbraw/zinc/44/07/65/256440765.db2.gz GOVKMYJHRBAJPG-UHFFFAOYSA-N 1 2 358.485 2.586 20 5 FFBDLO CC1(C)CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000279680706 256440767 /nfs/dbraw/zinc/44/07/67/256440767.db2.gz GOVKMYJHRBAJPG-UHFFFAOYSA-N 1 2 358.485 2.586 20 5 FFBDLO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cccc(O)c3[N+](=O)[O-])C2)CC1 ZINC000280740507 256561147 /nfs/dbraw/zinc/56/11/47/256561147.db2.gz JOWXIFRDNZGPPP-OAHLLOKOSA-N 1 2 361.442 2.885 20 5 FFBDLO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1c(F)cncc1F ZINC000285862204 257008712 /nfs/dbraw/zinc/00/87/12/257008712.db2.gz XPWRWMAPDUBXRF-SNVBAGLBSA-N 1 2 362.336 2.508 20 5 FFBDLO CC(C)c1ccc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000285971029 257013889 /nfs/dbraw/zinc/01/38/89/257013889.db2.gz WMVKJQCTQSGHIN-HOCLYGCPSA-N 1 2 361.442 2.653 20 5 FFBDLO C[C@@H]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@H]1n1cc[nH+]c1 ZINC000287927076 257130314 /nfs/dbraw/zinc/13/03/14/257130314.db2.gz QPOFSYBLHRXLSE-IAQYHMDHSA-N 1 2 354.370 2.528 20 5 FFBDLO C[C@@H]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@@H]1n1cc[nH+]c1 ZINC000287927066 257130573 /nfs/dbraw/zinc/13/05/73/257130573.db2.gz QPOFSYBLHRXLSE-ABAIWWIYSA-N 1 2 354.370 2.528 20 5 FFBDLO O=C(N[C@H](C1CC1)C(F)(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000288516857 257198681 /nfs/dbraw/zinc/19/86/81/257198681.db2.gz HPXVXBNCFURNOT-CYBMUJFWSA-N 1 2 354.288 2.851 20 5 FFBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000289722234 257295448 /nfs/dbraw/zinc/29/54/48/257295448.db2.gz IORBRXNLIWGCOT-RDTXWAMCSA-N 1 2 372.425 2.545 20 5 FFBDLO O=c1nc([C@H]2CCC[N@@H+](Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C2)[nH][nH]1 ZINC000289783154 257298828 /nfs/dbraw/zinc/29/88/28/257298828.db2.gz MVGAYVYQXIZMMG-QMMMGPOBSA-N 1 2 372.212 2.693 20 5 FFBDLO O=c1nc([C@H]2CCC[N@H+](Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C2)[nH][nH]1 ZINC000289783154 257298829 /nfs/dbraw/zinc/29/88/29/257298829.db2.gz MVGAYVYQXIZMMG-QMMMGPOBSA-N 1 2 372.212 2.693 20 5 FFBDLO Cc1cnn([C@@H]2CC[N@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)c1 ZINC000289988874 257309800 /nfs/dbraw/zinc/30/98/00/257309800.db2.gz SFVRAUSRVLCRRA-CYBMUJFWSA-N 1 2 363.805 2.639 20 5 FFBDLO Cc1cnn([C@@H]2CC[N@@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)c1 ZINC000289988874 257309801 /nfs/dbraw/zinc/30/98/01/257309801.db2.gz SFVRAUSRVLCRRA-CYBMUJFWSA-N 1 2 363.805 2.639 20 5 FFBDLO CCC(=O)N1CCCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000301100070 258025628 /nfs/dbraw/zinc/02/56/28/258025628.db2.gz KCQDWRLWQRYQFC-UHFFFAOYSA-N 1 2 369.425 2.809 20 5 FFBDLO O=C1[C@H]([NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)CCN1c1ccccc1 ZINC000301212156 258034696 /nfs/dbraw/zinc/03/46/96/258034696.db2.gz WGNPVCJCIBFFFD-LJQANCHMSA-N 1 2 366.421 2.522 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1N1CC[NH+](CC(=O)N(C)C2CCCCC2)CC1 ZINC000301215510 258034847 /nfs/dbraw/zinc/03/48/47/258034847.db2.gz XNPRHYKDSJRIMV-UHFFFAOYSA-N 1 2 374.485 2.816 20 5 FFBDLO Cc1nc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c2c([nH+]1)CCCC2 ZINC000302046926 258084276 /nfs/dbraw/zinc/08/42/76/258084276.db2.gz LIILNRBHBJWVLE-UHFFFAOYSA-N 1 2 353.426 2.899 20 5 FFBDLO Cc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3OC(F)F)CC2)on1 ZINC000302044115 258084294 /nfs/dbraw/zinc/08/42/94/258084294.db2.gz JNWSGVQFJYETEP-UHFFFAOYSA-N 1 2 368.340 2.815 20 5 FFBDLO CC(C)(C)CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000302678892 258107718 /nfs/dbraw/zinc/10/77/18/258107718.db2.gz VULPVPXPBRAEHN-UHFFFAOYSA-N 1 2 369.487 2.557 20 5 FFBDLO CC[C@H](O)C[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cc2Br)CC1 ZINC000302713373 258108655 /nfs/dbraw/zinc/10/86/55/258108655.db2.gz XLPGCOQDRVQBFR-LBPRGKRZSA-N 1 2 372.263 2.559 20 5 FFBDLO Cc1cc(N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c(Br)cc1[N+](=O)[O-] ZINC000302718284 258108730 /nfs/dbraw/zinc/10/87/30/258108730.db2.gz YZXJVBNOINFZFF-NEPJUHHUSA-N 1 2 372.263 2.557 20 5 FFBDLO Cc1cc(N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)c(Br)cc1[N+](=O)[O-] ZINC000302718284 258108731 /nfs/dbraw/zinc/10/87/31/258108731.db2.gz YZXJVBNOINFZFF-NEPJUHHUSA-N 1 2 372.263 2.557 20 5 FFBDLO Cc1c(CNc2cc(N3CCCC[C@H]3CO)nc[nH+]2)cccc1[N+](=O)[O-] ZINC000302830887 258112087 /nfs/dbraw/zinc/11/20/87/258112087.db2.gz KSTQKYYMRBSKGC-HNNXBMFYSA-N 1 2 357.414 2.657 20 5 FFBDLO Cc1c(CNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)cccc1[N+](=O)[O-] ZINC000302830887 258112088 /nfs/dbraw/zinc/11/20/88/258112088.db2.gz KSTQKYYMRBSKGC-HNNXBMFYSA-N 1 2 357.414 2.657 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](CC(=O)Nc2ccc(F)cc2)CC1 ZINC000301435429 258049605 /nfs/dbraw/zinc/04/96/05/258049605.db2.gz JEUVLKLBXZHDCI-UHFFFAOYSA-N 1 2 372.400 2.803 20 5 FFBDLO C[C@@H](Nc1cc(Br)ccc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000301652837 258061345 /nfs/dbraw/zinc/06/13/45/258061345.db2.gz GVMIKTSROBRKNB-MNOVXSKESA-N 1 2 358.236 2.878 20 5 FFBDLO C[NH+](C)[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)c1c(F)cccc1F ZINC000301994545 258080929 /nfs/dbraw/zinc/08/09/29/258080929.db2.gz NYDOKEWTVSSWFZ-LBPRGKRZSA-N 1 2 362.340 2.631 20 5 FFBDLO Cc1c(CNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000332124660 258215088 /nfs/dbraw/zinc/21/50/88/258215088.db2.gz CTPPXNYLDPOORK-DYVFJYSZSA-N 1 2 357.414 2.892 20 5 FFBDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C2 ZINC000332671600 258239817 /nfs/dbraw/zinc/23/98/17/258239817.db2.gz RWCHGLWNOITHQO-GFCCVEGCSA-N 1 2 358.398 2.539 20 5 FFBDLO Cc1nc(C)n(C[C@@H]2C[N@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CCO2)n1 ZINC000331733886 258198595 /nfs/dbraw/zinc/19/85/95/258198595.db2.gz RVAIQMYKLZIEMJ-GUYCJALGSA-N 1 2 359.430 2.574 20 5 FFBDLO Cc1nc(C)n(C[C@@H]2C[N@@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CCO2)n1 ZINC000331733886 258198596 /nfs/dbraw/zinc/19/85/96/258198596.db2.gz RVAIQMYKLZIEMJ-GUYCJALGSA-N 1 2 359.430 2.574 20 5 FFBDLO Cc1c(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000373072438 512158430 /nfs/dbraw/zinc/15/84/30/512158430.db2.gz XJQOCNZNBOEREU-LBPRGKRZSA-N 1 2 373.369 2.565 20 5 FFBDLO Cc1cccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC000032252095 506238047 /nfs/dbraw/zinc/23/80/47/506238047.db2.gz WUOOAIVXBKGUSN-KRWDZBQOSA-N 1 2 369.421 2.534 20 5 FFBDLO Cc1cccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC000032252095 506238053 /nfs/dbraw/zinc/23/80/53/506238053.db2.gz WUOOAIVXBKGUSN-KRWDZBQOSA-N 1 2 369.421 2.534 20 5 FFBDLO CC[N@H+](CCCNC(=O)CCn1cc([N+](=O)[O-])nc1C)c1ccccc1 ZINC000065742231 506355106 /nfs/dbraw/zinc/35/51/06/506355106.db2.gz NFQVQJYBFRPUIG-UHFFFAOYSA-N 1 2 359.430 2.523 20 5 FFBDLO CC[N@@H+](CCCNC(=O)CCn1cc([N+](=O)[O-])nc1C)c1ccccc1 ZINC000065742231 506355117 /nfs/dbraw/zinc/35/51/17/506355117.db2.gz NFQVQJYBFRPUIG-UHFFFAOYSA-N 1 2 359.430 2.523 20 5 FFBDLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000368975855 512165814 /nfs/dbraw/zinc/16/58/14/512165814.db2.gz SLMZVNQUQQWCOI-KCXAZCMYSA-N 1 2 372.450 2.804 20 5 FFBDLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000368975855 512165819 /nfs/dbraw/zinc/16/58/19/512165819.db2.gz SLMZVNQUQQWCOI-KCXAZCMYSA-N 1 2 372.450 2.804 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000366815986 512199086 /nfs/dbraw/zinc/19/90/86/512199086.db2.gz CCVQXEAHLINEBS-UHFFFAOYSA-N 1 2 372.425 2.864 20 5 FFBDLO C[C@@H]1[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000377347242 512226202 /nfs/dbraw/zinc/22/62/02/512226202.db2.gz QVJKBELFWPQPOR-CXAGYDPISA-N 1 2 355.394 2.693 20 5 FFBDLO C[C@H](NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000375262089 512238470 /nfs/dbraw/zinc/23/84/70/512238470.db2.gz NPYGFENVABMASV-IJEWVQPXSA-N 1 2 354.410 2.940 20 5 FFBDLO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2CCOc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000066377695 506500606 /nfs/dbraw/zinc/50/06/06/506500606.db2.gz JXEBVYCAEYMYPY-JZXOWHBKSA-N 1 2 363.458 2.547 20 5 FFBDLO C[C@@H]1C[N@H+](C[C@@H]2CCCN2CCOc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000066377695 506500613 /nfs/dbraw/zinc/50/06/13/506500613.db2.gz JXEBVYCAEYMYPY-JZXOWHBKSA-N 1 2 363.458 2.547 20 5 FFBDLO O=C(CCOc1ccccc1[N+](=O)[O-])NC1CCN(c2cccc[nH+]2)CC1 ZINC000055365001 506735562 /nfs/dbraw/zinc/73/55/62/506735562.db2.gz RSZFGCPVMXWHTA-UHFFFAOYSA-N 1 2 370.409 2.544 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)c1 ZINC000067542134 506918463 /nfs/dbraw/zinc/91/84/63/506918463.db2.gz FPZLWASJKCGVPU-KRWDZBQOSA-N 1 2 366.377 2.856 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000018235866 507146207 /nfs/dbraw/zinc/14/62/07/507146207.db2.gz RAIKQEMWGOQSDJ-INIZCTEOSA-N 1 2 354.341 2.987 20 5 FFBDLO CNc1ccc(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)cc1[N+](=O)[O-] ZINC000047417165 507325132 /nfs/dbraw/zinc/32/51/32/507325132.db2.gz PAGNFYPOFGTECR-UHFFFAOYSA-N 1 2 369.425 2.952 20 5 FFBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3nnc(-c4ccccc4)o3)CC2)c1 ZINC000047745437 507388271 /nfs/dbraw/zinc/38/82/71/507388271.db2.gz LLXAJOYOZNKJOS-UHFFFAOYSA-N 1 2 365.393 2.967 20 5 FFBDLO Cc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)on1 ZINC000024059942 507389402 /nfs/dbraw/zinc/38/94/02/507389402.db2.gz UTCPDWPCXXQQOD-UHFFFAOYSA-N 1 2 353.382 2.762 20 5 FFBDLO COc1ccc(NC(=O)CSc2[nH+]cc3ccccn32)c([N+](=O)[O-])c1 ZINC000024209796 507398397 /nfs/dbraw/zinc/39/83/97/507398397.db2.gz FMNXQYSZAKZFAT-UHFFFAOYSA-N 1 2 358.379 2.982 20 5 FFBDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000058273506 507398895 /nfs/dbraw/zinc/39/88/95/507398895.db2.gz GRYZKFXWFPVTST-UHFFFAOYSA-N 1 2 365.393 2.870 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375465709 512344231 /nfs/dbraw/zinc/34/42/31/512344231.db2.gz PRPPDXJUTHNCHU-DGCLKSJQSA-N 1 2 371.397 2.672 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375465709 512344237 /nfs/dbraw/zinc/34/42/37/512344237.db2.gz 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Cc1cc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1[N+](=O)[O-] ZINC000182434935 509235925 /nfs/dbraw/zinc/23/59/25/509235925.db2.gz LRHAJLVKLXTJTJ-GOSISDBHSA-N 1 2 355.394 2.743 20 5 FFBDLO Cc1cc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1[N+](=O)[O-] ZINC000182434935 509235934 /nfs/dbraw/zinc/23/59/34/509235934.db2.gz LRHAJLVKLXTJTJ-GOSISDBHSA-N 1 2 355.394 2.743 20 5 FFBDLO COc1cc(C[N@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)c([N+](=O)[O-])cc1F ZINC000248607994 509387285 /nfs/dbraw/zinc/38/72/85/509387285.db2.gz DUJJREXFMPCUNO-DAXOMENPSA-N 1 2 354.378 2.511 20 5 FFBDLO COc1cc(C[N@@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)c([N+](=O)[O-])cc1F ZINC000248607994 509387290 /nfs/dbraw/zinc/38/72/90/509387290.db2.gz DUJJREXFMPCUNO-DAXOMENPSA-N 1 2 354.378 2.511 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCS[C@@H](C)CC2)c([N+](=O)[O-])c1 ZINC000192190079 509395464 /nfs/dbraw/zinc/39/54/64/509395464.db2.gz CMGHAYZQLBADBA-LBPRGKRZSA-N 1 2 353.444 2.759 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+]2CCS[C@@H](C)CC2)c([N+](=O)[O-])c1 ZINC000192190079 509395472 /nfs/dbraw/zinc/39/54/72/509395472.db2.gz CMGHAYZQLBADBA-LBPRGKRZSA-N 1 2 353.444 2.759 20 5 FFBDLO C[C@H](c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2N)c1)[NH+]1CCOCC1 ZINC000267278395 509424860 /nfs/dbraw/zinc/42/48/60/509424860.db2.gz VHMCVGGRFHNIDP-CYBMUJFWSA-N 1 2 370.409 2.823 20 5 FFBDLO C[C@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)Cn1cc[nH+]c1 ZINC000176385882 509481128 /nfs/dbraw/zinc/48/11/28/509481128.db2.gz RHRAIZIPCHLGMK-GFCCVEGCSA-N 1 2 371.422 2.981 20 5 FFBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCc3c(Cl)cc(Cl)cc3C2)c1 ZINC000164267886 509484437 /nfs/dbraw/zinc/48/44/37/509484437.db2.gz YXSCWNJLLWZJKG-ZDUSSCGKSA-N 1 2 371.224 2.517 20 5 FFBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCc3c(Cl)cc(Cl)cc3C2)c1 ZINC000164267886 509484443 /nfs/dbraw/zinc/48/44/43/509484443.db2.gz YXSCWNJLLWZJKG-ZDUSSCGKSA-N 1 2 371.224 2.517 20 5 FFBDLO COc1ccccc1[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192636497 509575469 /nfs/dbraw/zinc/57/54/69/509575469.db2.gz UTWCMFLWWMDUDK-CQSZACIVSA-N 1 2 357.410 2.913 20 5 FFBDLO COc1ccccc1[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192636497 509575474 /nfs/dbraw/zinc/57/54/74/509575474.db2.gz UTWCMFLWWMDUDK-CQSZACIVSA-N 1 2 357.410 2.913 20 5 FFBDLO CC[N@H+](CCS(C)(=O)=O)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000180089167 509745579 /nfs/dbraw/zinc/74/55/79/509745579.db2.gz PNNKUFSMDIHNLV-UHFFFAOYSA-N 1 2 352.412 2.721 20 5 FFBDLO CC[N@@H+](CCS(C)(=O)=O)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000180089167 509745585 /nfs/dbraw/zinc/74/55/85/509745585.db2.gz PNNKUFSMDIHNLV-UHFFFAOYSA-N 1 2 352.412 2.721 20 5 FFBDLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)Nc1ccncc1[N+](=O)[O-] ZINC000183616650 509889629 /nfs/dbraw/zinc/88/96/29/509889629.db2.gz BHVGXLIJRSLLGG-UHFFFAOYSA-N 1 2 352.354 2.556 20 5 FFBDLO CN(C)c1ccc2cc(NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)ccc2[nH+]1 ZINC000193468426 509926752 /nfs/dbraw/zinc/92/67/52/509926752.db2.gz FFFHNVMKMSWMHM-UHFFFAOYSA-N 1 2 353.338 2.562 20 5 FFBDLO Cc1cc(NC(=O)Cn2cc([N+](=O)[O-])cn2)ccc1Oc1cc[nH+]cc1 ZINC000193697119 510024791 /nfs/dbraw/zinc/02/47/91/510024791.db2.gz JJBLYZGUKSRTCT-UHFFFAOYSA-N 1 2 353.338 2.926 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000177407358 510041901 /nfs/dbraw/zinc/04/19/01/510041901.db2.gz NSVVTNXESPKRQT-KRWDZBQOSA-N 1 2 363.801 2.747 20 5 FFBDLO O=C(C[N@H+](Cc1cccnc1)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000180730231 510078080 /nfs/dbraw/zinc/07/80/80/510078080.db2.gz HBIIPUQREKQVER-UHFFFAOYSA-N 1 2 352.394 2.544 20 5 FFBDLO O=C(C[N@@H+](Cc1cccnc1)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000180730231 510078082 /nfs/dbraw/zinc/07/80/82/510078082.db2.gz HBIIPUQREKQVER-UHFFFAOYSA-N 1 2 352.394 2.544 20 5 FFBDLO C[C@H]1CN(c2ccc(CNc3ncc([N+](=O)[O-])cc3Cl)c[nH+]2)CCO1 ZINC000265517315 510095731 /nfs/dbraw/zinc/09/57/31/510095731.db2.gz LMSCLNUSVCWMHQ-NSHDSACASA-N 1 2 363.805 2.875 20 5 FFBDLO C[C@H](CCc1cccn1C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000174578149 510188940 /nfs/dbraw/zinc/18/89/40/510188940.db2.gz QIENTESLRMJRMW-CQSZACIVSA-N 1 2 367.409 2.870 20 5 FFBDLO CCCC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000184256494 510221578 /nfs/dbraw/zinc/22/15/78/510221578.db2.gz IEZXHVIVMRGSNC-CYBMUJFWSA-N 1 2 374.434 2.532 20 5 FFBDLO CCCC[N@@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000184256494 510221587 /nfs/dbraw/zinc/22/15/87/510221587.db2.gz IEZXHVIVMRGSNC-CYBMUJFWSA-N 1 2 374.434 2.532 20 5 FFBDLO Cc1ccc(NC(=O)c2ccccc2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000265824881 510250260 /nfs/dbraw/zinc/25/02/60/510250260.db2.gz WMEBWOKUBIDDKK-UHFFFAOYSA-N 1 2 355.394 2.988 20 5 FFBDLO COc1cc(NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000266129350 510424010 /nfs/dbraw/zinc/42/40/10/510424010.db2.gz NZNQZRHNOAMKCS-ZDUSSCGKSA-N 1 2 358.398 2.836 20 5 FFBDLO Nc1c(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000178176923 510472210 /nfs/dbraw/zinc/47/22/10/510472210.db2.gz VVHHQZGHOXSEJZ-UHFFFAOYSA-N 1 2 367.365 2.705 20 5 FFBDLO CCc1ccc([C@@H](COC)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)o1 ZINC000184819051 510529248 /nfs/dbraw/zinc/52/92/48/510529248.db2.gz VEZFMUXZJKHQEL-MRXNPFEDSA-N 1 2 361.398 2.974 20 5 FFBDLO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181706096 510548579 /nfs/dbraw/zinc/54/85/79/510548579.db2.gz SFHHTJYBULVXGK-SYNHAJSKSA-N 1 2 372.421 2.797 20 5 FFBDLO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181706096 510548586 /nfs/dbraw/zinc/54/85/86/510548586.db2.gz SFHHTJYBULVXGK-SYNHAJSKSA-N 1 2 372.421 2.797 20 5 FFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000175556227 510678054 /nfs/dbraw/zinc/67/80/54/510678054.db2.gz OGCKOEYZNQQJIF-CQSZACIVSA-N 1 2 372.400 2.956 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000246881126 510724380 /nfs/dbraw/zinc/72/43/80/510724380.db2.gz DPBHADTTYAWFFZ-CHWSQXEVSA-N 1 2 363.414 2.585 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000246881126 510724385 /nfs/dbraw/zinc/72/43/85/510724385.db2.gz DPBHADTTYAWFFZ-CHWSQXEVSA-N 1 2 363.414 2.585 20 5 FFBDLO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1nc(C(C)(C)C)no1 ZINC000185204713 510746756 /nfs/dbraw/zinc/74/67/56/510746756.db2.gz HGFMNHACMCXWBY-LLVKDONJSA-N 1 2 361.402 2.955 20 5 FFBDLO Cc1noc(C)c1C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000172475242 510747456 /nfs/dbraw/zinc/74/74/56/510747456.db2.gz JBXZUCBRXJRBOZ-NSHDSACASA-N 1 2 369.381 2.746 20 5 FFBDLO Cc1ccc(NCCCNC(=O)c2ccc3[nH+]ccn3c2)c([N+](=O)[O-])c1 ZINC000172478540 510748427 /nfs/dbraw/zinc/74/84/27/510748427.db2.gz LGXVOHOCMYNOOV-UHFFFAOYSA-N 1 2 353.382 2.783 20 5 FFBDLO COc1cc(C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)cc([N+](=O)[O-])c1C ZINC000191642791 510766942 /nfs/dbraw/zinc/76/69/42/510766942.db2.gz FUBRGSVIMABDAH-UHFFFAOYSA-N 1 2 372.425 2.967 20 5 FFBDLO Cc1cc(N[C@@H](C)CN2CCCC2=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000195303785 510774107 /nfs/dbraw/zinc/77/41/07/510774107.db2.gz LKXNPKFXJIHJOG-ZDUSSCGKSA-N 1 2 355.398 2.783 20 5 FFBDLO C[C@@H]1CN(CC[N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)O1 ZINC000195313593 510779873 /nfs/dbraw/zinc/77/98/73/510779873.db2.gz MYYJJBBUFLGORR-GASCZTMLSA-N 1 2 374.441 2.791 20 5 FFBDLO C[C@@H]1CN(CC[N@@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)O1 ZINC000195313593 510779880 /nfs/dbraw/zinc/77/98/80/510779880.db2.gz MYYJJBBUFLGORR-GASCZTMLSA-N 1 2 374.441 2.791 20 5 FFBDLO Cc1noc(C2(C)CC[NH+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000364692510 511021880 /nfs/dbraw/zinc/02/18/80/511021880.db2.gz AEEHLIIWSHMGME-LBPRGKRZSA-N 1 2 373.413 2.667 20 5 FFBDLO O=[N+]([O-])c1cncc(Br)c1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000270963059 511039064 /nfs/dbraw/zinc/03/90/64/511039064.db2.gz OLNLHZPOFPCHGT-JTQLQIEISA-N 1 2 364.203 2.838 20 5 FFBDLO O=C(CCC(=O)N1CCC(n2cc[nH+]c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000294374177 511044341 /nfs/dbraw/zinc/04/43/41/511044341.db2.gz BODBLYWYRRQVPW-UHFFFAOYSA-N 1 2 356.382 2.618 20 5 FFBDLO Cc1cn2c([nH+]1)[C@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])CCC2 ZINC000362323968 511172577 /nfs/dbraw/zinc/17/25/77/511172577.db2.gz XTTXZVUSGMUUMA-JTQLQIEISA-N 1 2 370.456 2.554 20 5 FFBDLO COc1cc(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)cc([N+](=O)[O-])c1C ZINC000365094448 511252509 /nfs/dbraw/zinc/25/25/09/511252509.db2.gz ZVGAAQNGYDUDJU-CYBMUJFWSA-N 1 2 358.398 2.724 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ccncn2)CC1 ZINC000298522486 511314758 /nfs/dbraw/zinc/31/47/58/511314758.db2.gz VWAPMAQUJUOSNI-CYBMUJFWSA-N 1 2 355.398 2.591 20 5 FFBDLO C[C@@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000272080311 511424613 /nfs/dbraw/zinc/42/46/13/511424613.db2.gz HBEJOJRYHWZNLQ-OAHLLOKOSA-N 1 2 369.421 2.918 20 5 FFBDLO CC(C)(C)[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000272088169 511428008 /nfs/dbraw/zinc/42/80/08/511428008.db2.gz KREDGEXOEFFIDB-YOEHRIQHSA-N 1 2 372.425 2.650 20 5 FFBDLO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]3CCn3cc([N+](=O)[O-])ccc3=O)nc2c1 ZINC000295680531 511481326 /nfs/dbraw/zinc/48/13/26/511481326.db2.gz CFPFWCQYAGNKPO-QGZVFWFLSA-N 1 2 367.409 2.778 20 5 FFBDLO Cc1ccc2[nH]c([C@H]3CCC[N@H+]3CCn3cc([N+](=O)[O-])ccc3=O)nc2c1 ZINC000295680531 511481331 /nfs/dbraw/zinc/48/13/31/511481331.db2.gz CFPFWCQYAGNKPO-QGZVFWFLSA-N 1 2 367.409 2.778 20 5 FFBDLO Cc1ccc2nc([C@H]3CCC[N@@H+]3CCn3cc([N+](=O)[O-])ccc3=O)[nH]c2c1 ZINC000295680531 511481333 /nfs/dbraw/zinc/48/13/33/511481333.db2.gz CFPFWCQYAGNKPO-QGZVFWFLSA-N 1 2 367.409 2.778 20 5 FFBDLO Cc1ccc2nc([C@H]3CCC[N@H+]3CCn3cc([N+](=O)[O-])ccc3=O)[nH]c2c1 ZINC000295680531 511481337 /nfs/dbraw/zinc/48/13/37/511481337.db2.gz CFPFWCQYAGNKPO-QGZVFWFLSA-N 1 2 367.409 2.778 20 5 FFBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000363440501 511553049 /nfs/dbraw/zinc/55/30/49/511553049.db2.gz ZPLSQMVJPFMQSV-UHFFFAOYSA-N 1 2 354.370 2.745 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000296134436 511630998 /nfs/dbraw/zinc/63/09/98/511630998.db2.gz JCTIJSBECCHOLR-AWEZNQCLSA-N 1 2 359.386 2.952 20 5 FFBDLO O=C(Cn1cc([N+](=O)[O-])cn1)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000284417098 511715267 /nfs/dbraw/zinc/71/52/67/511715267.db2.gz XVAUBJHJHCPJRE-UHFFFAOYSA-N 1 2 367.365 2.597 20 5 FFBDLO Cc1cn2c([nH+]1)CN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC000363735671 511732911 /nfs/dbraw/zinc/73/29/11/511732911.db2.gz DRQBIWDNLDXWJK-UHFFFAOYSA-N 1 2 366.830 2.888 20 5 FFBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000323898567 511831954 /nfs/dbraw/zinc/83/19/54/511831954.db2.gz JKJMIUIENUEZSV-HNNXBMFYSA-N 1 2 369.421 2.895 20 5 FFBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000323898567 511831958 /nfs/dbraw/zinc/83/19/58/511831958.db2.gz JKJMIUIENUEZSV-HNNXBMFYSA-N 1 2 369.421 2.895 20 5 FFBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000281744532 511951569 /nfs/dbraw/zinc/95/15/69/511951569.db2.gz JMJHAPDLFWDCAX-MRXNPFEDSA-N 1 2 358.398 2.944 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1C(F)(F)F ZINC000366364085 511979194 /nfs/dbraw/zinc/97/91/94/511979194.db2.gz AFXYDALLXAGIJW-ZWNOBZJWSA-N 1 2 370.331 2.655 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1C(F)(F)F ZINC000366364085 511979202 /nfs/dbraw/zinc/97/92/02/511979202.db2.gz AFXYDALLXAGIJW-ZWNOBZJWSA-N 1 2 370.331 2.655 20 5 FFBDLO O=C(C[N@@H+]1CCC=C(c2ccco2)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000285188518 512030423 /nfs/dbraw/zinc/03/04/23/512030423.db2.gz CFLWAFUXBZFFPI-UHFFFAOYSA-N 1 2 371.349 2.644 20 5 FFBDLO O=C(C[N@H+]1CCC=C(c2ccco2)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000285188518 512030426 /nfs/dbraw/zinc/03/04/26/512030426.db2.gz CFLWAFUXBZFFPI-UHFFFAOYSA-N 1 2 371.349 2.644 20 5 FFBDLO Cc1ccc([C@@H]2COCC[N@@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000411269177 512553306 /nfs/dbraw/zinc/55/33/06/512553306.db2.gz BHVUFGQTVKDIDU-INIZCTEOSA-N 1 2 359.382 2.898 20 5 FFBDLO Cc1ccc([C@@H]2COCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000411269177 512553313 /nfs/dbraw/zinc/55/33/13/512553313.db2.gz BHVUFGQTVKDIDU-INIZCTEOSA-N 1 2 359.382 2.898 20 5 FFBDLO CCOC(=O)c1cc(NCc2ccnc(-n3cc[nH+]c3)c2)ccc1[N+](=O)[O-] ZINC000378044980 512561353 /nfs/dbraw/zinc/56/13/53/512561353.db2.gz OVFUGTGIBZQKSI-UHFFFAOYSA-N 1 2 367.365 2.964 20 5 FFBDLO COc1cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c([N+](=O)[O-])cc1F ZINC000373972761 512600509 /nfs/dbraw/zinc/60/05/09/512600509.db2.gz OBECNZPELHJMLO-ZJNRKIDTSA-N 1 2 368.405 2.901 20 5 FFBDLO COc1cc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c([N+](=O)[O-])cc1F ZINC000373972761 512600513 /nfs/dbraw/zinc/60/05/13/512600513.db2.gz OBECNZPELHJMLO-ZJNRKIDTSA-N 1 2 368.405 2.901 20 5 FFBDLO CC(C)Oc1cc(C(=O)NCc2ccc(N(C)C)[nH+]c2)ccc1[N+](=O)[O-] ZINC000411388217 512612299 /nfs/dbraw/zinc/61/22/99/512612299.db2.gz LPPNVDBRGQTOPR-UHFFFAOYSA-N 1 2 358.398 2.773 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000374378288 512802103 /nfs/dbraw/zinc/80/21/03/512802103.db2.gz BCZOVPOKFONYJY-ZDUSSCGKSA-N 1 2 355.398 2.532 20 5 FFBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])CCC2 ZINC000374435088 512832568 /nfs/dbraw/zinc/83/25/68/512832568.db2.gz DHHVLAZQHCBEMJ-AWEZNQCLSA-N 1 2 357.414 2.596 20 5 FFBDLO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000391149075 512913913 /nfs/dbraw/zinc/91/39/13/512913913.db2.gz AUGFCFKHVFDRSZ-UHFFFAOYSA-N 1 2 354.815 2.942 20 5 FFBDLO C[C@@H](O)c1cn(C2C[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2)nn1 ZINC000374821730 513021356 /nfs/dbraw/zinc/02/13/56/513021356.db2.gz SFDURUPCJXVJIT-GFCCVEGCSA-N 1 2 369.381 2.557 20 5 FFBDLO O=C(N1CCC(n2cc[nH+]c2)CC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000374855741 513039683 /nfs/dbraw/zinc/03/96/83/513039683.db2.gz JEURHSFFLBPIPD-UHFFFAOYSA-N 1 2 350.325 2.747 20 5 FFBDLO CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc3c(c2)[nH+]c(C)n3C2CC2)n1 ZINC000412331948 513041404 /nfs/dbraw/zinc/04/14/04/513041404.db2.gz OVQWTSFBXILZLC-UHFFFAOYSA-N 1 2 368.397 2.734 20 5 FFBDLO Cn1cc(-c2ncc(C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)cn2)cn1 ZINC000377037348 513096831 /nfs/dbraw/zinc/09/68/31/513096831.db2.gz JWHFDKJTIQVOOW-UHFFFAOYSA-N 1 2 364.409 2.950 20 5 FFBDLO Cn1cc(-c2ncc(C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)cn2)cn1 ZINC000377037348 513096834 /nfs/dbraw/zinc/09/68/34/513096834.db2.gz JWHFDKJTIQVOOW-UHFFFAOYSA-N 1 2 364.409 2.950 20 5 FFBDLO Cc1cccc(C[NH+]2CCN(C(=O)c3[nH]nc(C(C)C)c3[N+](=O)[O-])CC2)c1 ZINC000433865680 513171409 /nfs/dbraw/zinc/17/14/09/513171409.db2.gz BWFMVOPRJLHXNA-UHFFFAOYSA-N 1 2 371.441 2.708 20 5 FFBDLO Cc1cccc(C[NH+]2CCN(C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])CC2)c1 ZINC000433865680 513171414 /nfs/dbraw/zinc/17/14/14/513171414.db2.gz BWFMVOPRJLHXNA-UHFFFAOYSA-N 1 2 371.441 2.708 20 5 FFBDLO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C[C@H]1C ZINC000450500782 513223105 /nfs/dbraw/zinc/22/31/05/513223105.db2.gz OEASKYBKAHKMOK-CHWSQXEVSA-N 1 2 357.414 2.540 20 5 FFBDLO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C[C@H]1C ZINC000450500782 513223112 /nfs/dbraw/zinc/22/31/12/513223112.db2.gz OEASKYBKAHKMOK-CHWSQXEVSA-N 1 2 357.414 2.540 20 5 FFBDLO CCNc1ccc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000434049100 513224252 /nfs/dbraw/zinc/22/42/52/513224252.db2.gz MLEXRTUHLINCBA-OAHLLOKOSA-N 1 2 356.382 2.715 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)Cc1cnc(C(C)C)nc1 ZINC000440462363 513325899 /nfs/dbraw/zinc/32/58/99/513325899.db2.gz CAORIOVYOBPLLX-UHFFFAOYSA-N 1 2 357.414 2.887 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)Cc1cnc(C(C)C)nc1 ZINC000440462363 513325906 /nfs/dbraw/zinc/32/59/06/513325906.db2.gz CAORIOVYOBPLLX-UHFFFAOYSA-N 1 2 357.414 2.887 20 5 FFBDLO CO[C@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1(C)C ZINC000450764739 513330538 /nfs/dbraw/zinc/33/05/38/513330538.db2.gz WGLKCXZIKFAEIN-SFHVURJKSA-N 1 2 363.458 2.678 20 5 FFBDLO Cc1nccnc1N1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000440518220 513344725 /nfs/dbraw/zinc/34/47/25/513344725.db2.gz UIFRLUBIXWHZFC-UHFFFAOYSA-N 1 2 371.441 2.803 20 5 FFBDLO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000429535990 513400179 /nfs/dbraw/zinc/40/01/79/513400179.db2.gz ARIIBHNWYFFPNP-JTQLQIEISA-N 1 2 369.303 2.947 20 5 FFBDLO Cc1cc(C[NH+]2CCN(c3ncc([N+](=O)[O-])cc3C(F)(F)F)CC2)on1 ZINC000413039884 513401074 /nfs/dbraw/zinc/40/10/74/513401074.db2.gz VYLVKBVEZIZJBR-UHFFFAOYSA-N 1 2 371.319 2.627 20 5 FFBDLO CCn1nccc1C1CC[NH+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000434751514 513418895 /nfs/dbraw/zinc/41/88/95/513418895.db2.gz GKQGRDQFSIZMTH-UHFFFAOYSA-N 1 2 371.441 2.938 20 5 FFBDLO O=C([C@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1)N1CCCC1 ZINC000413148034 513482950 /nfs/dbraw/zinc/48/29/50/513482950.db2.gz SBZILVZGEVAWCH-HNNXBMFYSA-N 1 2 354.410 2.982 20 5 FFBDLO O=C1NCCCN1C1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413200458 513516841 /nfs/dbraw/zinc/51/68/41/513516841.db2.gz IUVANDDBQQTBKA-UHFFFAOYSA-N 1 2 355.398 2.527 20 5 FFBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000447657961 513532673 /nfs/dbraw/zinc/53/26/73/513532673.db2.gz XULNSBLXCUNPBC-BETUJISGSA-N 1 2 369.849 2.738 20 5 FFBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000447657961 513532678 /nfs/dbraw/zinc/53/26/78/513532678.db2.gz XULNSBLXCUNPBC-BETUJISGSA-N 1 2 369.849 2.738 20 5 FFBDLO Cc1c(NC(=O)NCCn2cc[nH+]c2)cc(Br)cc1[N+](=O)[O-] ZINC000435326541 513558257 /nfs/dbraw/zinc/55/82/57/513558257.db2.gz DHHCGLRVXQWWFC-UHFFFAOYSA-N 1 2 368.191 2.684 20 5 FFBDLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])[C@@H]1C ZINC000425443636 513568240 /nfs/dbraw/zinc/56/82/40/513568240.db2.gz LEERGSUMZXMALK-BXKDBHETSA-N 1 2 357.204 2.741 20 5 FFBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])[C@@H]1C ZINC000425443636 513568243 /nfs/dbraw/zinc/56/82/43/513568243.db2.gz LEERGSUMZXMALK-BXKDBHETSA-N 1 2 357.204 2.741 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@@H](CO)c1ccccc1 ZINC000447800704 513573963 /nfs/dbraw/zinc/57/39/63/513573963.db2.gz WHQUVKKCIZSITI-SFHVURJKSA-N 1 2 371.437 2.615 20 5 FFBDLO CCC[C@@H](CCO)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447805695 513575061 /nfs/dbraw/zinc/57/50/61/513575061.db2.gz JZTVLWIGLVPWSI-HNNXBMFYSA-N 1 2 351.447 2.638 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@@H]1CCOC2(CCC2)C1 ZINC000447812292 513577898 /nfs/dbraw/zinc/57/78/98/513577898.db2.gz KVUATVJVPSGHCU-MRXNPFEDSA-N 1 2 361.442 2.941 20 5 FFBDLO CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1[nH]cc[nH+]1 ZINC000443131729 513881333 /nfs/dbraw/zinc/88/13/33/513881333.db2.gz PAAGQFBZHFGERI-LLVKDONJSA-N 1 2 353.176 2.962 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCCCC[C@H]1CCO ZINC000451761521 513962314 /nfs/dbraw/zinc/96/23/14/513962314.db2.gz OUQSDTZVMUCWPQ-HNNXBMFYSA-N 1 2 358.398 2.548 20 5 FFBDLO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1O ZINC000436967625 514054673 /nfs/dbraw/zinc/05/46/73/514054673.db2.gz QSANFBJZNZAUJQ-UHFFFAOYSA-N 1 2 369.421 2.942 20 5 FFBDLO COc1ccc(N2CC[NH+](Cc3c(Cl)cccc3[N+](=O)[O-])CC2)nc1 ZINC000452056009 514167166 /nfs/dbraw/zinc/16/71/66/514167166.db2.gz IQBADOUCKJHZAS-UHFFFAOYSA-N 1 2 362.817 2.974 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000452173766 514229492 /nfs/dbraw/zinc/22/94/92/514229492.db2.gz ZZUHUPUBMUUZPR-IEBWSBKVSA-N 1 2 368.393 2.564 20 5 FFBDLO O=C(NCC1(O)CCCCCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449926702 514427741 /nfs/dbraw/zinc/42/77/41/514427741.db2.gz DKBDXBHSNCADNF-UHFFFAOYSA-N 1 2 358.398 2.596 20 5 FFBDLO O=C(NC[C@H]1CCCC1(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000452891769 514536849 /nfs/dbraw/zinc/53/68/49/514536849.db2.gz OTHLUEHMQMRHDO-GFCCVEGCSA-N 1 2 350.325 2.946 20 5 FFBDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000470944998 514683115 /nfs/dbraw/zinc/68/31/15/514683115.db2.gz KINUYIXNDRELLF-SWHYSGLUSA-N 1 2 357.332 2.973 20 5 FFBDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000470944998 514683125 /nfs/dbraw/zinc/68/31/25/514683125.db2.gz KINUYIXNDRELLF-SWHYSGLUSA-N 1 2 357.332 2.973 20 5 FFBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCO[C@H](COc3ccccc3)C2)c1 ZINC000484571681 514695175 /nfs/dbraw/zinc/69/51/75/514695175.db2.gz MALCTKWYBJSANB-IBGZPJMESA-N 1 2 358.394 2.753 20 5 FFBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCO[C@H](COc3ccccc3)C2)c1 ZINC000484571681 514695189 /nfs/dbraw/zinc/69/51/89/514695189.db2.gz MALCTKWYBJSANB-IBGZPJMESA-N 1 2 358.394 2.753 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC(C(F)F)CC1 ZINC000484732871 514771456 /nfs/dbraw/zinc/77/14/56/514771456.db2.gz XZSKWODWKYMRNO-UHFFFAOYSA-N 1 2 350.325 2.898 20 5 FFBDLO Nc1c(F)c(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000471255403 514813789 /nfs/dbraw/zinc/81/37/89/514813789.db2.gz UMQQFCRGNVDJGA-HNNXBMFYSA-N 1 2 360.389 2.802 20 5 FFBDLO Cc1cc(F)cc([C@@]2(F)CC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)c1 ZINC000502969262 514861177 /nfs/dbraw/zinc/86/11/77/514861177.db2.gz KQHZTTOEIFASIN-GOSISDBHSA-N 1 2 363.364 2.775 20 5 FFBDLO Cc1cc(F)cc([C@@]2(F)CC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)c1 ZINC000502969262 514861186 /nfs/dbraw/zinc/86/11/86/514861186.db2.gz KQHZTTOEIFASIN-GOSISDBHSA-N 1 2 363.364 2.775 20 5 FFBDLO O=C(NCc1c[nH+]c[nH]1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000489592975 514907896 /nfs/dbraw/zinc/90/78/96/514907896.db2.gz BQBLZCXAGLMFFA-UHFFFAOYSA-N 1 2 351.366 2.860 20 5 FFBDLO O=C(NCc1c[nH]c[nH+]1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000489592975 514907906 /nfs/dbraw/zinc/90/79/06/514907906.db2.gz BQBLZCXAGLMFFA-UHFFFAOYSA-N 1 2 351.366 2.860 20 5 FFBDLO COc1ccc(C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CC2CC2)c(OC)c1 ZINC000503215994 514963069 /nfs/dbraw/zinc/96/30/69/514963069.db2.gz LBHDZAAKNRQMDH-UHFFFAOYSA-N 1 2 360.414 2.758 20 5 FFBDLO COc1ccc(C[N@H+](Cc2c([N+](=O)[O-])ncn2C)CC2CC2)c(OC)c1 ZINC000503215994 514963078 /nfs/dbraw/zinc/96/30/78/514963078.db2.gz LBHDZAAKNRQMDH-UHFFFAOYSA-N 1 2 360.414 2.758 20 5 FFBDLO Cc1cc(Nc2ncc([N+](=O)[O-])cc2C(N)=O)c[nH+]c1N1CCCC[C@H]1C ZINC000503277953 514989155 /nfs/dbraw/zinc/98/91/55/514989155.db2.gz XVBKVRAQCZPUAE-GFCCVEGCSA-N 1 2 370.413 2.915 20 5 FFBDLO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)cc1OC ZINC000456382976 515143242 /nfs/dbraw/zinc/14/32/42/515143242.db2.gz NFCIGZMLDQFGQZ-CMPLNLGQSA-N 1 2 360.370 2.634 20 5 FFBDLO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000485857193 515220506 /nfs/dbraw/zinc/22/05/06/515220506.db2.gz IQHKYQQKOJXWBZ-LBPRGKRZSA-N 1 2 360.414 2.985 20 5 FFBDLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000485857193 515220512 /nfs/dbraw/zinc/22/05/12/515220512.db2.gz IQHKYQQKOJXWBZ-LBPRGKRZSA-N 1 2 360.414 2.985 20 5 FFBDLO Cc1[nH+]cn(-c2ccc(NC(=O)c3cc([N+](=O)[O-])c[nH]c3=O)cc2)c1C ZINC000462773997 515235365 /nfs/dbraw/zinc/23/53/65/515235365.db2.gz IHZYYWJBNYUULX-UHFFFAOYSA-N 1 2 353.338 2.750 20 5 FFBDLO CNc1c(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cccc1[N+](=O)[O-] ZINC000462931121 515305911 /nfs/dbraw/zinc/30/59/11/515305911.db2.gz VILRJVBJSUXUPA-UHFFFAOYSA-N 1 2 369.425 2.952 20 5 FFBDLO CC(C)(CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1(O)CCCC1 ZINC000456857325 515462771 /nfs/dbraw/zinc/46/27/71/515462771.db2.gz IPIMUYWGFCVKRT-UHFFFAOYSA-N 1 2 372.425 2.842 20 5 FFBDLO CCOc1cc(C[N@H+](C)CC(=O)NCc2cccs2)ccc1[N+](=O)[O-] ZINC000492659243 515552615 /nfs/dbraw/zinc/55/26/15/515552615.db2.gz VXSIMGOVNLHIQH-UHFFFAOYSA-N 1 2 363.439 2.803 20 5 FFBDLO CCOc1cc(C[N@@H+](C)CC(=O)NCc2cccs2)ccc1[N+](=O)[O-] ZINC000492659243 515552622 /nfs/dbraw/zinc/55/26/22/515552622.db2.gz VXSIMGOVNLHIQH-UHFFFAOYSA-N 1 2 363.439 2.803 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccn(C4CCCC4)n3)C2)nc1 ZINC000477763990 515583042 /nfs/dbraw/zinc/58/30/42/515583042.db2.gz MTZXFSDIGIEPQV-CQSZACIVSA-N 1 2 356.430 2.988 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccn(C4CCCC4)n3)C2)nc1 ZINC000477763990 515583046 /nfs/dbraw/zinc/58/30/46/515583046.db2.gz MTZXFSDIGIEPQV-CQSZACIVSA-N 1 2 356.430 2.988 20 5 FFBDLO COCC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccco1 ZINC000505641106 515620827 /nfs/dbraw/zinc/62/08/27/515620827.db2.gz YGTDQFCEBVQCMY-AWEZNQCLSA-N 1 2 370.365 2.881 20 5 FFBDLO COCC[N@H+](Cc1c(C)nn(C)c1C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000459585706 515672021 /nfs/dbraw/zinc/67/20/21/515672021.db2.gz VFJCSYBBDSBOGS-UHFFFAOYSA-N 1 2 362.430 2.602 20 5 FFBDLO COCC[N@@H+](Cc1c(C)nn(C)c1C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000459585706 515672031 /nfs/dbraw/zinc/67/20/31/515672031.db2.gz VFJCSYBBDSBOGS-UHFFFAOYSA-N 1 2 362.430 2.602 20 5 FFBDLO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000469104426 515673179 /nfs/dbraw/zinc/67/31/79/515673179.db2.gz YZTOZBICSPRWOQ-OAHLLOKOSA-N 1 2 361.423 2.929 20 5 FFBDLO Cc1c(Br)c(N2CC[N@H+](C)[C@@H](C(C)C)C2)ncc1[N+](=O)[O-] ZINC000487088671 515752953 /nfs/dbraw/zinc/75/29/53/515752953.db2.gz UVLUHKHJXJMUKK-GFCCVEGCSA-N 1 2 357.252 2.837 20 5 FFBDLO Cc1c(Br)c(N2CC[N@@H+](C)[C@@H](C(C)C)C2)ncc1[N+](=O)[O-] ZINC000487088671 515752957 /nfs/dbraw/zinc/75/29/57/515752957.db2.gz UVLUHKHJXJMUKK-GFCCVEGCSA-N 1 2 357.252 2.837 20 5 FFBDLO COc1cc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc([N+](=O)[O-])c1OC ZINC000469383010 515792031 /nfs/dbraw/zinc/79/20/31/515792031.db2.gz DFBOATJWSNEDFR-SWLSCSKDSA-N 1 2 374.397 2.532 20 5 FFBDLO COc1cc(C[NH2+][C@@H](C)c2ccn(C)n2)c([N+](=O)[O-])cc1OC(F)F ZINC000459775094 515798696 /nfs/dbraw/zinc/79/86/96/515798696.db2.gz CRKRICDTSSBDDX-VIFPVBQESA-N 1 2 356.329 2.789 20 5 FFBDLO CCc1ccc(C(=O)N2CCN(c3c[nH+]ccc3C)CC2)cc1[N+](=O)[O-] ZINC000500683714 515815273 /nfs/dbraw/zinc/81/52/73/515815273.db2.gz NOXZINWUBUFQFQ-UHFFFAOYSA-N 1 2 354.410 2.823 20 5 FFBDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000506206256 515816307 /nfs/dbraw/zinc/81/63/07/515816307.db2.gz MOCCVOBEZKBQJW-ZDUSSCGKSA-N 1 2 373.384 2.959 20 5 FFBDLO CCCCCOC1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000473969932 515825624 /nfs/dbraw/zinc/82/56/24/515825624.db2.gz GZKFIYYSAWYRMU-UHFFFAOYSA-N 1 2 358.398 2.812 20 5 FFBDLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454981665 515873331 /nfs/dbraw/zinc/87/33/31/515873331.db2.gz XVTMEPSZMQTQNK-CABCVRRESA-N 1 2 369.425 2.764 20 5 FFBDLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454981665 515873340 /nfs/dbraw/zinc/87/33/40/515873340.db2.gz XVTMEPSZMQTQNK-CABCVRRESA-N 1 2 369.425 2.764 20 5 FFBDLO Cc1ccc([C@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000469634271 515899001 /nfs/dbraw/zinc/89/90/01/515899001.db2.gz SLJOKHXYWXAXEA-INIZCTEOSA-N 1 2 359.382 2.769 20 5 FFBDLO C[N@H+](CC(N)=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000506497052 515899028 /nfs/dbraw/zinc/89/90/28/515899028.db2.gz UCRDBHUOTHRGMH-UHFFFAOYSA-N 1 2 368.187 2.534 20 5 FFBDLO C[N@@H+](CC(N)=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000506497052 515899032 /nfs/dbraw/zinc/89/90/32/515899032.db2.gz UCRDBHUOTHRGMH-UHFFFAOYSA-N 1 2 368.187 2.534 20 5 FFBDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000511766474 516024455 /nfs/dbraw/zinc/02/44/55/516024455.db2.gz BYJLNNOBXGBXPJ-UHFFFAOYSA-N 1 2 353.176 2.627 20 5 FFBDLO CC(C)[C@H]1OCCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000488060517 516099730 /nfs/dbraw/zinc/09/97/30/516099730.db2.gz IMPBRFSOAQFODH-MAUKXSAKSA-N 1 2 372.425 2.962 20 5 FFBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000501567926 516156891 /nfs/dbraw/zinc/15/68/91/516156891.db2.gz HXZODGXFSJLWLF-VIFPVBQESA-N 1 2 354.288 2.555 20 5 FFBDLO NC(=O)c1ccc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cn1 ZINC000531487185 516493202 /nfs/dbraw/zinc/49/32/02/516493202.db2.gz VAUGLMYXSYXHQI-UHFFFAOYSA-N 1 2 369.406 2.502 20 5 FFBDLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000561384079 516555715 /nfs/dbraw/zinc/55/57/15/516555715.db2.gz AAFJJDDRZFVLGP-UHFFFAOYSA-N 1 2 362.349 2.968 20 5 FFBDLO Cc1c(Br)c(=O)n(Cc2c[nH+]c3ccccn23)cc1[N+](=O)[O-] ZINC000544080480 516573369 /nfs/dbraw/zinc/57/33/69/516573369.db2.gz RSRNTUQRRLCCAW-UHFFFAOYSA-N 1 2 363.171 2.523 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000558124498 516604750 /nfs/dbraw/zinc/60/47/50/516604750.db2.gz PDOPNAKSGMISKP-MRXNPFEDSA-N 1 2 355.398 2.547 20 5 FFBDLO C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000540560028 516620044 /nfs/dbraw/zinc/62/00/44/516620044.db2.gz BOXHQUIACMVHLT-UHFFFAOYSA-N 1 2 371.437 2.937 20 5 FFBDLO Cc1cc(NCCCCn2cc[nH+]c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000540905552 516764604 /nfs/dbraw/zinc/76/46/04/516764604.db2.gz PVGQNRKSCOBSHW-UHFFFAOYSA-N 1 2 352.398 2.871 20 5 FFBDLO O=C(C[N@@H+]1CCC[C@H]1c1cccnc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000561857592 516800983 /nfs/dbraw/zinc/80/09/83/516800983.db2.gz SUPSUPQBHVYILU-KRWDZBQOSA-N 1 2 352.394 2.716 20 5 FFBDLO O=C(C[N@H+]1CCC[C@H]1c1cccnc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000561857592 516800991 /nfs/dbraw/zinc/80/09/91/516800991.db2.gz SUPSUPQBHVYILU-KRWDZBQOSA-N 1 2 352.394 2.716 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000561871784 516809445 /nfs/dbraw/zinc/80/94/45/516809445.db2.gz BGPIOSHHALMNEQ-KRWDZBQOSA-N 1 2 370.409 2.528 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000561871784 516809453 /nfs/dbraw/zinc/80/94/53/516809453.db2.gz BGPIOSHHALMNEQ-KRWDZBQOSA-N 1 2 370.409 2.528 20 5 FFBDLO O=[N+]([O-])c1cncc(Br)c1NCCc1[nH]c2ccccc2[nH+]1 ZINC000558891210 516990399 /nfs/dbraw/zinc/99/03/99/516990399.db2.gz BLWDOCUUDQSQLA-UHFFFAOYSA-N 1 2 362.187 2.705 20 5 FFBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)COc2ccccc2-n2cc[nH+]c2)c1 ZINC000555580950 516991168 /nfs/dbraw/zinc/99/11/68/516991168.db2.gz OITRNYRUDPASCL-OAHLLOKOSA-N 1 2 355.350 2.599 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)ccc1-c1nc([C@H]2C[N@@H+](C3CC3)CCO2)no1 ZINC000545084671 517046102 /nfs/dbraw/zinc/04/61/02/517046102.db2.gz RGVYJERUXNIPGE-CYBMUJFWSA-N 1 2 350.762 2.834 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)ccc1-c1nc([C@H]2C[N@H+](C3CC3)CCO2)no1 ZINC000545084671 517046108 /nfs/dbraw/zinc/04/61/08/517046108.db2.gz RGVYJERUXNIPGE-CYBMUJFWSA-N 1 2 350.762 2.834 20 5 FFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000559094179 517079599 /nfs/dbraw/zinc/07/95/99/517079599.db2.gz FNNBRGZFQPQXOS-ZDUSSCGKSA-N 1 2 353.382 2.723 20 5 FFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000559094179 517079603 /nfs/dbraw/zinc/07/96/03/517079603.db2.gz FNNBRGZFQPQXOS-ZDUSSCGKSA-N 1 2 353.382 2.723 20 5 FFBDLO C[C@@H](C(=O)N1CC[NH+](Cc2ccco2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000541640743 517152918 /nfs/dbraw/zinc/15/29/18/517152918.db2.gz PYQPYAKUGVNTMY-CYBMUJFWSA-N 1 2 361.373 2.775 20 5 FFBDLO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000552263608 517167743 /nfs/dbraw/zinc/16/77/43/517167743.db2.gz JCJQRKQYGGHHPP-VYDXJSESSA-N 1 2 372.425 2.739 20 5 FFBDLO NC(=O)c1ccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000533371912 517431352 /nfs/dbraw/zinc/43/13/52/517431352.db2.gz CNNSWVBRVVHKBD-UHFFFAOYSA-N 1 2 374.828 2.669 20 5 FFBDLO CC[C@@H](C)n1[nH]c(=NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1C ZINC000538349907 517579942 /nfs/dbraw/zinc/57/99/42/517579942.db2.gz SOJULYAHWXNVGG-GFCCVEGCSA-N 1 2 368.397 2.931 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCc2[nH+]ccn2CC(C)C)c1 ZINC000542753197 517717684 /nfs/dbraw/zinc/71/76/84/517717684.db2.gz ANOJTOMLNMFFNL-UHFFFAOYSA-N 1 2 366.443 2.543 20 5 FFBDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000556953584 517771609 /nfs/dbraw/zinc/77/16/09/517771609.db2.gz LQOFBTKLPIYGTO-UHFFFAOYSA-N 1 2 362.349 2.639 20 5 FFBDLO COc1cc(N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000534335412 517856886 /nfs/dbraw/zinc/85/68/86/517856886.db2.gz DIFYNTXWICTDQS-HIFRSBDPSA-N 1 2 353.394 2.798 20 5 FFBDLO CNc1ccc(C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cc1[N+](=O)[O-] ZINC000521846611 517871019 /nfs/dbraw/zinc/87/10/19/517871019.db2.gz PMMVYSOIWVCPNO-UHFFFAOYSA-N 1 2 358.398 2.929 20 5 FFBDLO C[C@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000543031006 517873150 /nfs/dbraw/zinc/87/31/50/517873150.db2.gz VDPOCBLHMZPBRS-GHMZBOCLSA-N 1 2 361.489 2.735 20 5 FFBDLO C[C@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000543031006 517873161 /nfs/dbraw/zinc/87/31/61/517873161.db2.gz VDPOCBLHMZPBRS-GHMZBOCLSA-N 1 2 361.489 2.735 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@@H](OCc4ccncc4)C3)nc2c1 ZINC000553897427 517958995 /nfs/dbraw/zinc/95/89/95/517958995.db2.gz JIYFCOUOZKEPRJ-OAHLLOKOSA-N 1 2 353.382 2.657 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@@H](OCc4ccncc4)C3)nc2c1 ZINC000553897427 517959003 /nfs/dbraw/zinc/95/90/03/517959003.db2.gz JIYFCOUOZKEPRJ-OAHLLOKOSA-N 1 2 353.382 2.657 20 5 FFBDLO NC(=O)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1 ZINC000522059400 517971539 /nfs/dbraw/zinc/97/15/39/517971539.db2.gz YJIKXPCGKLCZKF-AWEZNQCLSA-N 1 2 353.300 2.930 20 5 FFBDLO Cc1ccc(-c2noc(-c3ccc([N+](=O)[O-])n3C)n2)c(N2CCCC2)[nH+]1 ZINC000547076805 517977073 /nfs/dbraw/zinc/97/70/73/517977073.db2.gz NGWXVODEFIQJEL-UHFFFAOYSA-N 1 2 354.370 2.954 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(Nc2ccccn2)CC1 ZINC000534861857 518060061 /nfs/dbraw/zinc/06/00/61/518060061.db2.gz BYNNNZVBQRPEST-CQSZACIVSA-N 1 2 369.425 2.893 20 5 FFBDLO C[C@@H]([NH2+]C(C)(C)c1cnn(C)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000547413269 518127948 /nfs/dbraw/zinc/12/79/48/518127948.db2.gz IXKAXKZBUSDTGL-LLVKDONJSA-N 1 2 356.386 2.964 20 5 FFBDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000535197709 518165014 /nfs/dbraw/zinc/16/50/14/518165014.db2.gz UXNPUQSHCSTVKR-AWEZNQCLSA-N 1 2 367.409 2.896 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000584439188 518341310 /nfs/dbraw/zinc/34/13/10/518341310.db2.gz JFWMTYTWBJTHLG-CQSZACIVSA-N 1 2 363.805 2.639 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000584439188 518341315 /nfs/dbraw/zinc/34/13/15/518341315.db2.gz JFWMTYTWBJTHLG-CQSZACIVSA-N 1 2 363.805 2.639 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2cn3c(cccc3C)[nH+]2)c1 ZINC000567126078 518364485 /nfs/dbraw/zinc/36/44/85/518364485.db2.gz XSQXWKFHGMDQSL-UHFFFAOYSA-N 1 2 354.366 2.880 20 5 FFBDLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000570171412 518478176 /nfs/dbraw/zinc/47/81/76/518478176.db2.gz DCXMZHOULFFDGM-HDJSIYSDSA-N 1 2 356.382 2.849 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1ccc(-n3cncn3)cc1)CCO2 ZINC000564536876 518492119 /nfs/dbraw/zinc/49/21/19/518492119.db2.gz XPPDVQQMDCAVDH-UHFFFAOYSA-N 1 2 351.366 2.570 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1ccc(-n3cncn3)cc1)CCO2 ZINC000564536876 518492124 /nfs/dbraw/zinc/49/21/24/518492124.db2.gz XPPDVQQMDCAVDH-UHFFFAOYSA-N 1 2 351.366 2.570 20 5 FFBDLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000587036014 518674817 /nfs/dbraw/zinc/67/48/17/518674817.db2.gz FCJAJAYJXPUCOH-SNVBAGLBSA-N 1 2 354.288 2.555 20 5 FFBDLO Cn1cc[nH+]c1CN1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000587971440 518688744 /nfs/dbraw/zinc/68/87/44/518688744.db2.gz RMODVBDBMYXQHV-UHFFFAOYSA-N 1 2 370.240 2.957 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccncc2OC[C@@H]2CCOC2)c(F)c1 ZINC000588932056 518873609 /nfs/dbraw/zinc/87/36/09/518873609.db2.gz WZMPRZGWVACLFR-CYBMUJFWSA-N 1 2 361.373 2.834 20 5 FFBDLO C[N@H+](CCn1cc(Br)cn1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000588987117 518890431 /nfs/dbraw/zinc/89/04/31/518890431.db2.gz ZBRPDAJEOQXJHB-UHFFFAOYSA-N 1 2 357.183 2.825 20 5 FFBDLO C[N@@H+](CCn1cc(Br)cn1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000588987117 518890438 /nfs/dbraw/zinc/89/04/38/518890438.db2.gz ZBRPDAJEOQXJHB-UHFFFAOYSA-N 1 2 357.183 2.825 20 5 FFBDLO O=[N+]([O-])c1cncc(Cl)c1N1CC[NH+](CCOc2ccccc2)CC1 ZINC000589104452 518915876 /nfs/dbraw/zinc/91/58/76/518915876.db2.gz YLZKEPOGQJIECP-UHFFFAOYSA-N 1 2 362.817 2.844 20 5 FFBDLO Cn1cc[nH+]c1[C@H](CC(=O)NCCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000571113242 518931587 /nfs/dbraw/zinc/93/15/87/518931587.db2.gz CDGLGJVGKNABMZ-ZDUSSCGKSA-N 1 2 370.331 2.723 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](CC(=O)NCCc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000582854451 518954524 /nfs/dbraw/zinc/95/45/24/518954524.db2.gz OKHIKGYZHNBUBB-GFCCVEGCSA-N 1 2 370.331 2.723 20 5 FFBDLO COc1cccc([N+](=O)[O-])c1NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000568325684 518979742 /nfs/dbraw/zinc/97/97/42/518979742.db2.gz QAJAEVFCTJMOCK-ZDUSSCGKSA-N 1 2 358.398 2.836 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)Cc2ccc(O)c(OC)c2)c1 ZINC000589494498 519016255 /nfs/dbraw/zinc/01/62/55/519016255.db2.gz SLWPUGZYEYYIGU-UHFFFAOYSA-N 1 2 360.366 2.728 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)Cc2ccc(O)c(OC)c2)c1 ZINC000589494498 519016261 /nfs/dbraw/zinc/01/62/61/519016261.db2.gz SLWPUGZYEYYIGU-UHFFFAOYSA-N 1 2 360.366 2.728 20 5 FFBDLO Cc1cc(OCC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)ccc1[N+](=O)[O-] ZINC000577405344 519065820 /nfs/dbraw/zinc/06/58/20/519065820.db2.gz VSRGSLHKGCLQPA-UHFFFAOYSA-N 1 2 367.365 2.561 20 5 FFBDLO C[C@@]1(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCCC[C@H]1O ZINC000574480988 519174591 /nfs/dbraw/zinc/17/45/91/519174591.db2.gz IQLXYCLLNRDYPW-MOPGFXCFSA-N 1 2 363.458 2.780 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCc3cccc(OC)c3C2)c1 ZINC000590660538 519306136 /nfs/dbraw/zinc/30/61/36/519306136.db2.gz BHLXIEDIINKMKC-UHFFFAOYSA-N 1 2 356.378 2.948 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCc3cccc(OC)c3C2)c1 ZINC000590660538 519306143 /nfs/dbraw/zinc/30/61/43/519306143.db2.gz BHLXIEDIINKMKC-UHFFFAOYSA-N 1 2 356.378 2.948 20 5 FFBDLO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000569379220 519520909 /nfs/dbraw/zinc/52/09/09/519520909.db2.gz UYLZIAAOURNFHK-MRVPVSSYSA-N 1 2 362.249 2.585 20 5 FFBDLO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000569379220 519520917 /nfs/dbraw/zinc/52/09/17/519520917.db2.gz UYLZIAAOURNFHK-MRVPVSSYSA-N 1 2 362.249 2.585 20 5 FFBDLO C[C@H](C(=O)NC1CCN(c2cccc[nH+]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000584030568 519555450 /nfs/dbraw/zinc/55/54/50/519555450.db2.gz WUWYIPNEJUOLNF-AWEZNQCLSA-N 1 2 354.410 2.879 20 5 FFBDLO O=C(C[N@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000602997800 520013231 /nfs/dbraw/zinc/01/32/31/520013231.db2.gz QYTLLPZXIQQTNK-RCBQFDQVSA-N 1 2 367.833 2.812 20 5 FFBDLO O=C(C[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000602997800 520013242 /nfs/dbraw/zinc/01/32/42/520013242.db2.gz QYTLLPZXIQQTNK-RCBQFDQVSA-N 1 2 367.833 2.812 20 5 FFBDLO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCc2c[nH+]cn2C1 ZINC000597632192 520146844 /nfs/dbraw/zinc/14/68/44/520146844.db2.gz QNUDJZSLHZCWJT-VIFPVBQESA-N 1 2 365.187 2.755 20 5 FFBDLO O=C(NCc1[nH+]ccn1CC(F)(F)F)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000609037985 520181099 /nfs/dbraw/zinc/18/10/99/520181099.db2.gz ZTSJIMAKIIIHER-UHFFFAOYSA-N 1 2 367.287 2.765 20 5 FFBDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)[C@H]1C ZINC000603681386 520341309 /nfs/dbraw/zinc/34/13/09/520341309.db2.gz BPPRTVZTWJEMMN-GJYPPUQNSA-N 1 2 374.485 2.658 20 5 FFBDLO Cc1cc(OCC(=O)NCc2ccc[nH+]c2N2CCCC2)ccc1[N+](=O)[O-] ZINC000597944815 520344672 /nfs/dbraw/zinc/34/46/72/520344672.db2.gz WHZDUQDLOJMJPC-UHFFFAOYSA-N 1 2 370.409 2.594 20 5 FFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000597999890 520367931 /nfs/dbraw/zinc/36/79/31/520367931.db2.gz SSTXFJCZQYMWAA-OLZOCXBDSA-N 1 2 367.471 2.546 20 5 FFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000597999890 520367938 /nfs/dbraw/zinc/36/79/38/520367938.db2.gz SSTXFJCZQYMWAA-OLZOCXBDSA-N 1 2 367.471 2.546 20 5 FFBDLO Cc1nccc([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000603833985 520371765 /nfs/dbraw/zinc/37/17/65/520371765.db2.gz BWKRIMITHDCEMF-HIFRSBDPSA-N 1 2 369.425 2.900 20 5 FFBDLO Cc1nccc([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000603833985 520371774 /nfs/dbraw/zinc/37/17/74/520371774.db2.gz BWKRIMITHDCEMF-HIFRSBDPSA-N 1 2 369.425 2.900 20 5 FFBDLO COc1ccc2[nH+]c(N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)ccc2c1 ZINC000603849968 520377435 /nfs/dbraw/zinc/37/74/35/520377435.db2.gz NUZAOQDVGNMMRE-UHFFFAOYSA-N 1 2 365.393 2.873 20 5 FFBDLO C[C@H]1COC2(CCC2)CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000598054019 520400720 /nfs/dbraw/zinc/40/07/20/520400720.db2.gz KQSQISBZANYNOM-ZDUSSCGKSA-N 1 2 356.382 2.564 20 5 FFBDLO Cc1ccc(S(=O)(=O)NCc2cccc(-n3cc[nH+]c3)c2)c([N+](=O)[O-])c1 ZINC000609676422 520404090 /nfs/dbraw/zinc/40/40/90/520404090.db2.gz YITRAWDHACBLHL-UHFFFAOYSA-N 1 2 372.406 2.567 20 5 FFBDLO CCc1nsc(N2CCC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])CC2)n1 ZINC000595330725 520410036 /nfs/dbraw/zinc/41/00/36/520410036.db2.gz DFUPPUODKDGAEB-UHFFFAOYSA-N 1 2 365.434 2.860 20 5 FFBDLO CCc1nsc(N2CCC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])CC2)n1 ZINC000595330725 520410043 /nfs/dbraw/zinc/41/00/43/520410043.db2.gz DFUPPUODKDGAEB-UHFFFAOYSA-N 1 2 365.434 2.860 20 5 FFBDLO COC(=O)c1cc(NC(=O)Cc2cn3cccc(C)c3[nH+]2)cc([N+](=O)[O-])c1 ZINC000609838669 520452539 /nfs/dbraw/zinc/45/25/39/520452539.db2.gz CRCOIYINJCLRGU-UHFFFAOYSA-N 1 2 368.349 2.519 20 5 FFBDLO COCCCCNc1ccc(-c2cc(C(=O)OC)cc([N+](=O)[O-])c2)c[nH+]1 ZINC000600789853 520469636 /nfs/dbraw/zinc/46/96/36/520469636.db2.gz WJGLLLZELOEOTH-UHFFFAOYSA-N 1 2 359.382 2.704 20 5 FFBDLO Cc1noc(C[N@H+](CCc2ccccn2)Cc2cccnc2)c1[N+](=O)[O-] ZINC000595471499 520493305 /nfs/dbraw/zinc/49/33/05/520493305.db2.gz ASTKZFLHIATIOW-UHFFFAOYSA-N 1 2 353.382 2.926 20 5 FFBDLO Cc1noc(C[N@@H+](CCc2ccccn2)Cc2cccnc2)c1[N+](=O)[O-] ZINC000595471499 520493310 /nfs/dbraw/zinc/49/33/10/520493310.db2.gz ASTKZFLHIATIOW-UHFFFAOYSA-N 1 2 353.382 2.926 20 5 FFBDLO Cc1noc(C[NH+]2CCC(Cc3nc([C@H]4C[C@H]4C)no3)CC2)c1[N+](=O)[O-] ZINC000595557443 520551962 /nfs/dbraw/zinc/55/19/62/520551962.db2.gz IRTYGWUSENATAJ-MFKMUULPSA-N 1 2 361.402 2.852 20 5 FFBDLO C[C@H](CO)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595673072 520636538 /nfs/dbraw/zinc/63/65/38/520636538.db2.gz JXDNRDPJEJZOLE-ABAIWWIYSA-N 1 2 355.822 2.670 20 5 FFBDLO C[C@H](CO)[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595673072 520636548 /nfs/dbraw/zinc/63/65/48/520636548.db2.gz JXDNRDPJEJZOLE-ABAIWWIYSA-N 1 2 355.822 2.670 20 5 FFBDLO Cc1cccn2cc(CCNC(=O)NCCc3ccc([N+](=O)[O-])cc3)[nH+]c12 ZINC000610458908 520698583 /nfs/dbraw/zinc/69/85/83/520698583.db2.gz YQWMNWPUMBFETF-UHFFFAOYSA-N 1 2 367.409 2.635 20 5 FFBDLO C[C@H](NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1[nH+]ccn1C ZINC000595846149 520762287 /nfs/dbraw/zinc/76/22/87/520762287.db2.gz VQFLLFWFGBOHTF-ZDUSSCGKSA-N 1 2 373.413 2.642 20 5 FFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000610786790 520843494 /nfs/dbraw/zinc/84/34/94/520843494.db2.gz SHJOYXZASLSQSE-HOCLYGCPSA-N 1 2 370.327 2.925 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1c2ccccc2CN(C)C1=O ZINC000598941665 520932667 /nfs/dbraw/zinc/93/26/67/520932667.db2.gz ZLTGDMXZSCZWMY-KZULUSFZSA-N 1 2 355.394 2.967 20 5 FFBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCc3ccc(F)c(Br)c3C2)n1 ZINC000598940009 520933013 /nfs/dbraw/zinc/93/30/13/520933013.db2.gz QZYZXFBLUXMMPV-UHFFFAOYSA-N 1 2 369.194 2.751 20 5 FFBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCc3ccc(F)c(Br)c3C2)n1 ZINC000598940009 520933021 /nfs/dbraw/zinc/93/30/21/520933021.db2.gz QZYZXFBLUXMMPV-UHFFFAOYSA-N 1 2 369.194 2.751 20 5 FFBDLO O=c1[nH]ccc(N2CC[NH+](Cc3nc4ccccc4s3)CC2)c1[N+](=O)[O-] ZINC000596172010 520950207 /nfs/dbraw/zinc/95/02/07/520950207.db2.gz SDEGYKDHVQOHGR-UHFFFAOYSA-N 1 2 371.422 2.627 20 5 FFBDLO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)c3cc(O)ccc3[N+](=O)[O-])C2)c1 ZINC000601852168 520987785 /nfs/dbraw/zinc/98/77/85/520987785.db2.gz XUPUTHNMLDPKOV-OAHLLOKOSA-N 1 2 355.394 2.613 20 5 FFBDLO Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)c3cc(O)ccc3[N+](=O)[O-])C2)c1 ZINC000601852168 520987796 /nfs/dbraw/zinc/98/77/96/520987796.db2.gz XUPUTHNMLDPKOV-OAHLLOKOSA-N 1 2 355.394 2.613 20 5 FFBDLO Cc1nsc(N2CCN(c3ccc4c[nH+]ccc4c3[N+](=O)[O-])CC2)n1 ZINC000599050401 520999726 /nfs/dbraw/zinc/99/97/26/520999726.db2.gz MLRPULVYIINSPR-UHFFFAOYSA-N 1 2 356.411 2.630 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H](CF)c2ccc(F)cc2)cc1 ZINC000601973622 521049631 /nfs/dbraw/zinc/04/96/31/521049631.db2.gz RWSQMKKTSZPYHJ-INIZCTEOSA-N 1 2 370.377 2.808 20 5 FFBDLO O=C(Cc1cn2c([nH+]1)CCCC2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000593538181 521061068 /nfs/dbraw/zinc/06/10/68/521061068.db2.gz NDUBDDWENWBBNT-UHFFFAOYSA-N 1 2 354.410 2.861 20 5 FFBDLO CCOc1cccc(NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)c1[N+](=O)[O-] ZINC000599184532 521077461 /nfs/dbraw/zinc/07/74/61/521077461.db2.gz FTTLOUMDDHYZAF-INIZCTEOSA-N 1 2 372.425 2.701 20 5 FFBDLO CCOc1cccc(NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)c1[N+](=O)[O-] ZINC000599184532 521077469 /nfs/dbraw/zinc/07/74/69/521077469.db2.gz FTTLOUMDDHYZAF-INIZCTEOSA-N 1 2 372.425 2.701 20 5 FFBDLO COc1cc(NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)c([N+](=O)[O-])cc1C ZINC000599185852 521078071 /nfs/dbraw/zinc/07/80/71/521078071.db2.gz YVVODWUOYVKSSO-INIZCTEOSA-N 1 2 372.425 2.620 20 5 FFBDLO COc1cc(NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)c([N+](=O)[O-])cc1C ZINC000599185852 521078080 /nfs/dbraw/zinc/07/80/80/521078080.db2.gz YVVODWUOYVKSSO-INIZCTEOSA-N 1 2 372.425 2.620 20 5 FFBDLO COc1cccc(OCC[NH+]2CCN(c3sccc3[N+](=O)[O-])CC2)c1 ZINC000611413845 521143776 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O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[NH+](Cc3cn[nH]c3)CC2)c1 ZINC000599438590 521225166 /nfs/dbraw/zinc/22/51/66/521225166.db2.gz FLPLOOTWGIOHPP-UHFFFAOYSA-N 1 2 369.347 2.655 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@H]4CC[C@@H](C3)[S@@]4=O)co2)cc1 ZINC000599633297 521345956 /nfs/dbraw/zinc/34/59/56/521345956.db2.gz IWNAQQCTKFZDDB-ITNZAGEZSA-N 1 2 361.423 2.735 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@H]4CC[C@@H](C3)[S@@]4=O)co2)cc1 ZINC000599633297 521345962 /nfs/dbraw/zinc/34/59/62/521345962.db2.gz IWNAQQCTKFZDDB-ITNZAGEZSA-N 1 2 361.423 2.735 20 5 FFBDLO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602452330 521353511 /nfs/dbraw/zinc/35/35/11/521353511.db2.gz VLYHSSYPIMCFMP-QMMMGPOBSA-N 1 2 362.249 2.649 20 5 FFBDLO NC(=O)C[C@@H]1CCCC[N@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602452330 521353515 /nfs/dbraw/zinc/35/35/15/521353515.db2.gz VLYHSSYPIMCFMP-QMMMGPOBSA-N 1 2 362.249 2.649 20 5 FFBDLO COc1cccc2c1C[N@@H+]([C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 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O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[NH+](Cc2cccs2)CC1 ZINC000864562234 730860598 /nfs/dbraw/zinc/86/05/98/730860598.db2.gz KBBCXPGLIQWPHA-UHFFFAOYSA-N 1 2 363.414 2.682 20 5 FFBDLO C[N@@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C[C@@H]1CCCO1 ZINC000877972017 732460594 /nfs/dbraw/zinc/46/05/94/732460594.db2.gz BXDUCNCOSQNDRT-NSHDSACASA-N 1 2 352.778 2.909 20 5 FFBDLO C[N@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C[C@@H]1CCCO1 ZINC000877972017 732460597 /nfs/dbraw/zinc/46/05/97/732460597.db2.gz BXDUCNCOSQNDRT-NSHDSACASA-N 1 2 352.778 2.909 20 5 FFBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCCCn1cc[nH+]c1 ZINC000783202710 738789723 /nfs/dbraw/zinc/78/97/23/738789723.db2.gz GOUBGUUISVBJJH-NSHDSACASA-N 1 2 353.762 2.846 20 5 FFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@H](CCO)C1 ZINC000735870813 734964185 /nfs/dbraw/zinc/96/41/85/734964185.db2.gz FKPWJVJCVTUFDJ-NWDGAFQWSA-N 1 2 355.822 2.670 20 5 FFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@H](CCO)C1 ZINC000735870813 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368.231 2.554 20 5 FFBDLO O=C1CCCN1[C@H]1CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000792185151 739648505 /nfs/dbraw/zinc/64/85/05/739648505.db2.gz IMIJVKMCHZQCQD-LBPRGKRZSA-N 1 2 368.231 2.554 20 5 FFBDLO CCOc1cc(C[N@@H+]2CCOC[C@H]2C[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000933681596 739672098 /nfs/dbraw/zinc/67/20/98/739672098.db2.gz PQSVICDFNHQCCU-CVEARBPZSA-N 1 2 350.415 2.763 20 5 FFBDLO CCOc1cc(C[N@H+]2CCOC[C@H]2C[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000933681596 739672100 /nfs/dbraw/zinc/67/21/00/739672100.db2.gz PQSVICDFNHQCCU-CVEARBPZSA-N 1 2 350.415 2.763 20 5 FFBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000806252834 741047908 /nfs/dbraw/zinc/04/79/08/741047908.db2.gz KXCLXSZNDCRCDF-AAEUAGOBSA-N 1 2 368.821 2.575 20 5 FFBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](C/C=C\c2ccc(Cl)cc2)CC1 ZINC000981136906 741137486 /nfs/dbraw/zinc/13/74/86/741137486.db2.gz LIKWDOAHYGCRCF-YWOMLXPBSA-N 1 2 363.845 2.553 20 5 FFBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](C/C=C\c2ccc(Cl)cc2)CC1 ZINC000981136906 741137488 /nfs/dbraw/zinc/13/74/88/741137488.db2.gz LIKWDOAHYGCRCF-YWOMLXPBSA-N 1 2 363.845 2.553 20 5 FFBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1Cl ZINC001039583225 742993259 /nfs/dbraw/zinc/99/32/59/742993259.db2.gz HXHQSJOKFUBDOU-JYYAWHABSA-N 1 2 363.845 2.571 20 5 FFBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1Cl ZINC001039583225 742993263 /nfs/dbraw/zinc/99/32/63/742993263.db2.gz HXHQSJOKFUBDOU-JYYAWHABSA-N 1 2 363.845 2.571 20 5 FFBDLO CC(=O)N(C)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000839475958 746834621 /nfs/dbraw/zinc/83/46/21/746834621.db2.gz KOGISMZSWPLSCS-UHFFFAOYSA-N 1 2 370.247 2.800 20 5 FFBDLO COCCO[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839528915 746848264 /nfs/dbraw/zinc/84/82/64/746848264.db2.gz SUYJXJVNVMPPFH-CYBMUJFWSA-N 1 2 373.247 2.985 20 5 FFBDLO COCCO[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839528915 746848266 /nfs/dbraw/zinc/84/82/66/746848266.db2.gz SUYJXJVNVMPPFH-CYBMUJFWSA-N 1 2 373.247 2.985 20 5 FFBDLO COCCO[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839528918 746848328 /nfs/dbraw/zinc/84/83/28/746848328.db2.gz SUYJXJVNVMPPFH-ZDUSSCGKSA-N 1 2 373.247 2.985 20 5 FFBDLO COCCO[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839528918 746848334 /nfs/dbraw/zinc/84/83/34/746848334.db2.gz SUYJXJVNVMPPFH-ZDUSSCGKSA-N 1 2 373.247 2.985 20 5 FFBDLO O=[N+]([O-])c1nn(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1Br ZINC000840117286 747008313 /nfs/dbraw/zinc/00/83/13/747008313.db2.gz UIHBAUZCUUZJGW-RTXFEEFZSA-N 1 2 373.251 2.527 20 5 FFBDLO O=[N+]([O-])c1nn(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1Br ZINC000840117286 747008317 /nfs/dbraw/zinc/00/83/17/747008317.db2.gz UIHBAUZCUUZJGW-RTXFEEFZSA-N 1 2 373.251 2.527 20 5 FFBDLO C[C@@H](CO)C1CC[NH+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000844417025 748025509 /nfs/dbraw/zinc/02/55/09/748025509.db2.gz RKJJHXUBTNRZFW-NWDGAFQWSA-N 1 2 369.849 2.916 20 5 FFBDLO C[C@H](CC(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000845278387 748218460 /nfs/dbraw/zinc/21/84/60/748218460.db2.gz OAGHVLNKICVHMT-SNVBAGLBSA-N 1 2 366.761 2.578 20 5 FFBDLO Cc1cc(Cl)c(C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000847179918 748637073 /nfs/dbraw/zinc/63/70/73/748637073.db2.gz XPHWBDLRVKXSTH-RWMBFGLXSA-N 1 2 369.849 2.784 20 5 FFBDLO Cc1cc(Cl)c(C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000847179918 748637079 /nfs/dbraw/zinc/63/70/79/748637079.db2.gz XPHWBDLRVKXSTH-RWMBFGLXSA-N 1 2 369.849 2.784 20 5 FFBDLO Cc1noc(C[N@H+]2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000851792964 749677838 /nfs/dbraw/zinc/67/78/38/749677838.db2.gz VOEGTUDQCQQMMT-GFCCVEGCSA-N 1 2 354.407 2.723 20 5 FFBDLO Cc1noc(C[N@@H+]2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000851792964 749677839 /nfs/dbraw/zinc/67/78/39/749677839.db2.gz VOEGTUDQCQQMMT-GFCCVEGCSA-N 1 2 354.407 2.723 20 5 FFBDLO Cc1noc(C[N@@H+](C)[C@@H](CNC(=O)OC(C)(C)C)C2CC2)c1[N+](=O)[O-] ZINC000851946354 749733196 /nfs/dbraw/zinc/73/31/96/749733196.db2.gz MLDOKPJCNNYLLS-LBPRGKRZSA-N 1 2 354.407 2.626 20 5 FFBDLO Cc1noc(C[N@H+](C)[C@@H](CNC(=O)OC(C)(C)C)C2CC2)c1[N+](=O)[O-] ZINC000851946354 749733201 /nfs/dbraw/zinc/73/32/01/749733201.db2.gz MLDOKPJCNNYLLS-LBPRGKRZSA-N 1 2 354.407 2.626 20 5 FFBDLO CN(CCCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1cccc[nH+]1 ZINC001175706930 1013550405 /nfs/dbraw/zinc/55/04/05/1013550405.db2.gz FLRKGJXZOCNEEJ-UHFFFAOYSA-N 1 2 353.382 2.727 20 5 FFBDLO Cn1c(=O)c([N+](=O)[O-])c(N2CCC(c3c[nH]c[nH+]3)CC2)c2ccccc21 ZINC000892856652 970331302 /nfs/dbraw/zinc/33/13/02/970331302.db2.gz UNGUMTVWLFCBQG-UHFFFAOYSA-N 1 2 353.382 2.554 20 5 FFBDLO C[C@@H]1CCN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000892909509 970366331 /nfs/dbraw/zinc/36/63/31/970366331.db2.gz MCFBXCNYMIGWHO-CJNGLKHVSA-N 1 2 367.409 2.731 20 5 FFBDLO Cc1cc(N2CCN(c3ncccc3[N+](=O)[O-])CC2)nc(C2CCC2)[nH+]1 ZINC000894133503 977938446 /nfs/dbraw/zinc/93/84/46/977938446.db2.gz LBPOPNWJSITXFO-UHFFFAOYSA-N 1 2 354.414 2.682 20 5 FFBDLO CO[C@@H]1C[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)Cc3cccnc3N2C1 ZINC000879271215 1015451620 /nfs/dbraw/zinc/45/16/20/1015451620.db2.gz WOBFWLWRPINSNZ-HZPDHXFCSA-N 1 2 372.400 2.738 20 5 FFBDLO CO[C@@H]1C[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)Cc3cccnc3N2C1 ZINC000879271215 1015451627 /nfs/dbraw/zinc/45/16/27/1015451627.db2.gz WOBFWLWRPINSNZ-HZPDHXFCSA-N 1 2 372.400 2.738 20 5 FFBDLO CC(C)C[C@H](C)N(C)C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000916984817 990085465 /nfs/dbraw/zinc/08/54/65/990085465.db2.gz RSISWZDPRMQFCB-INIZCTEOSA-N 1 2 362.474 2.610 20 5 FFBDLO O=C(COC(=O)c1ccc(-n2cc[nH+]c2)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000170833519 991172912 /nfs/dbraw/zinc/17/29/12/991172912.db2.gz BVGMWBUVHABNEN-UHFFFAOYSA-N 1 2 366.333 2.576 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000444670631 991828488 /nfs/dbraw/zinc/82/84/88/991828488.db2.gz YTFGUGVIDUOBGZ-GFCCVEGCSA-N 1 2 353.382 2.829 20 5 FFBDLO O=C(OCc1csc2nccn12)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000811066752 995020114 /nfs/dbraw/zinc/02/01/14/995020114.db2.gz GYTUNEAFPYFYTQ-UHFFFAOYSA-N 1 2 369.362 2.847 20 5 FFBDLO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ocnc1C1CC1 ZINC000813171791 995632331 /nfs/dbraw/zinc/63/23/31/995632331.db2.gz AUQKEGGKNLYVBQ-HNNXBMFYSA-N 1 2 357.366 2.892 20 5 FFBDLO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ocnc1C1CC1 ZINC000813171791 995632336 /nfs/dbraw/zinc/63/23/36/995632336.db2.gz AUQKEGGKNLYVBQ-HNNXBMFYSA-N 1 2 357.366 2.892 20 5 FFBDLO C[C@H]1CC(=O)CC[C@@H]1C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171876 995633950 /nfs/dbraw/zinc/63/39/50/995633950.db2.gz WGIROEPDBQFCSJ-KKXDTOCCSA-N 1 2 360.410 2.718 20 5 FFBDLO C[C@H]1CC(=O)CC[C@@H]1C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171876 995633953 /nfs/dbraw/zinc/63/39/53/995633953.db2.gz WGIROEPDBQFCSJ-KKXDTOCCSA-N 1 2 360.410 2.718 20 5 FFBDLO COc1ccc(CC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000727862777 995993697 /nfs/dbraw/zinc/99/36/97/995993697.db2.gz ZYVPRGRESCEBOT-MRXNPFEDSA-N 1 2 360.414 2.574 20 5 FFBDLO Cc1c(NC(=O)[C@@H](C)OC(=O)C[C@H](C)n2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000845275123 998459423 /nfs/dbraw/zinc/45/94/23/998459423.db2.gz CYUGXUKRQZFYAU-WCQYABFASA-N 1 2 360.370 2.621 20 5 FFBDLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cc([N+](=O)[O-])ccc1F ZINC000735012571 999378816 /nfs/dbraw/zinc/37/88/16/999378816.db2.gz ZTGFLFXVULYXOB-UHFFFAOYSA-N 1 2 359.357 2.818 20 5 FFBDLO C[C@H](OC(=O)[C@H]1CCCC[N@@H+]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000741148225 999711788 /nfs/dbraw/zinc/71/17/88/999711788.db2.gz YURPKJOCDJLJEH-SMDDNHRTSA-N 1 2 360.370 2.733 20 5 FFBDLO C[C@H](OC(=O)[C@H]1CCCC[N@H+]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000741148225 999711791 /nfs/dbraw/zinc/71/17/91/999711791.db2.gz YURPKJOCDJLJEH-SMDDNHRTSA-N 1 2 360.370 2.733 20 5 FFBDLO O=C(OCCc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741382492 999725579 /nfs/dbraw/zinc/72/55/79/999725579.db2.gz IOCZRYTYOPVCPE-LJQANCHMSA-N 1 2 370.405 2.582 20 5 FFBDLO O=C(OCCc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741382492 999725581 /nfs/dbraw/zinc/72/55/81/999725581.db2.gz IOCZRYTYOPVCPE-LJQANCHMSA-N 1 2 370.405 2.582 20 5 FFBDLO O=C(NN1CCCc2ccccc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000767059707 1000098228 /nfs/dbraw/zinc/09/82/28/1000098228.db2.gz OGMWPQCCFFWEPO-UHFFFAOYSA-N 1 2 363.377 2.878 20 5 FFBDLO Cc1ccc([C@H](CNc2ccc(N)cc2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000804362149 1000159858 /nfs/dbraw/zinc/15/98/58/1000159858.db2.gz SYENRHKFBOHVOO-IBGZPJMESA-N 1 2 356.426 2.971 20 5 FFBDLO CN(C[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000769334108 1000495300 /nfs/dbraw/zinc/49/53/00/1000495300.db2.gz MXQAMJRNHJIQPF-ZDUSSCGKSA-N 1 2 365.430 2.989 20 5 FFBDLO CN(C[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000769334108 1000495304 /nfs/dbraw/zinc/49/53/04/1000495304.db2.gz MXQAMJRNHJIQPF-ZDUSSCGKSA-N 1 2 365.430 2.989 20 5 FFBDLO Cc1cnc(OC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)nc1 ZINC000847029786 1000523788 /nfs/dbraw/zinc/52/37/88/1000523788.db2.gz XZZSDPCIHVQQSJ-UHFFFAOYSA-N 1 2 373.369 2.645 20 5 FFBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)OCc1cccc2[nH+]ccn21 ZINC000770926603 1000955448 /nfs/dbraw/zinc/95/54/48/1000955448.db2.gz UUNHWAUEEASOKR-UHFFFAOYSA-N 1 2 350.334 2.941 20 5 FFBDLO COC[C@@H](OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nccs1 ZINC000774669601 1002361235 /nfs/dbraw/zinc/36/12/35/1002361235.db2.gz DQUAEWLSWXHNJY-CQSZACIVSA-N 1 2 374.378 2.782 20 5 FFBDLO O=C(N[C@H]1CCC[N@H+](CCF)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001183850016 1002411497 /nfs/dbraw/zinc/41/14/97/1002411497.db2.gz PTEQDJHJVYXLEP-LBPRGKRZSA-N 1 2 363.311 2.777 20 5 FFBDLO O=C(N[C@H]1CCC[N@@H+](CCF)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001183850016 1002411503 /nfs/dbraw/zinc/41/15/03/1002411503.db2.gz PTEQDJHJVYXLEP-LBPRGKRZSA-N 1 2 363.311 2.777 20 5 FFBDLO COC(=O)[C@@H]([NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C1CCCC1 ZINC001170313070 1003104531 /nfs/dbraw/zinc/10/45/31/1003104531.db2.gz KAMQMVOCXDGGSM-SJCJKPOMSA-N 1 2 350.415 2.856 20 5 FFBDLO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3O)C2)cc1 ZINC001152419472 1032164669 /nfs/dbraw/zinc/16/46/69/1032164669.db2.gz SFSMSWSRDYLIEF-OAHLLOKOSA-N 1 2 355.394 2.613 20 5 FFBDLO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3O)C2)cc1 ZINC001152419472 1032164676 /nfs/dbraw/zinc/16/46/76/1032164676.db2.gz SFSMSWSRDYLIEF-OAHLLOKOSA-N 1 2 355.394 2.613 20 5 FFBDLO O=C(OCc1cccc(C[NH+]2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000817178598 1007457793 /nfs/dbraw/zinc/45/77/93/1007457793.db2.gz BJHBHGPBTKADJD-UHFFFAOYSA-N 1 2 356.378 2.784 20 5 FFBDLO O=C(N[C@@H](C1CC1)[C@@H]1CCCOC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000885455874 1007717516 /nfs/dbraw/zinc/71/75/16/1007717516.db2.gz XCHSOAYXFFECSM-QAPCUYQASA-N 1 2 370.409 2.716 20 5 FFBDLO Cc1ccc(O[C@H]2CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)nc1 ZINC000858040486 1008286258 /nfs/dbraw/zinc/28/62/58/1008286258.db2.gz OMBPELVIQATLKG-AWEZNQCLSA-N 1 2 353.382 2.828 20 5 FFBDLO Cc1ccc(O[C@H]2CC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)nc1 ZINC000858040486 1008286262 /nfs/dbraw/zinc/28/62/62/1008286262.db2.gz OMBPELVIQATLKG-AWEZNQCLSA-N 1 2 353.382 2.828 20 5 FFBDLO Cc1c([C@@H](C)[NH2+]C(c2ccnn2C)c2ccnn2C)cccc1[N+](=O)[O-] ZINC000858581451 1008385894 /nfs/dbraw/zinc/38/58/94/1008385894.db2.gz JMVQAWBMAFRMQC-CYBMUJFWSA-N 1 2 354.414 2.810 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)c1ccc([N+](=O)[O-])cc1 ZINC000886701504 1008828956 /nfs/dbraw/zinc/82/89/56/1008828956.db2.gz QKVPHLFKQJZHFR-IRXDYDNUSA-N 1 2 356.426 2.967 20 5 FFBDLO Cc1ccc(C[NH2+][C@@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)cc1[N+](=O)[O-] ZINC001178370310 1008959053 /nfs/dbraw/zinc/95/90/53/1008959053.db2.gz XGLSVDLNXOGLSN-ZDUSSCGKSA-N 1 2 371.401 2.948 20 5 FFBDLO CC[C@H]1C[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C[C@@]2(CCOC2)O1 ZINC000794692474 1010498161 /nfs/dbraw/zinc/49/81/61/1010498161.db2.gz GHHXQQGPDQNOAW-RBUKOAKNSA-N 1 2 372.425 2.686 20 5 FFBDLO CC[C@H]1C[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C[C@@]2(CCOC2)O1 ZINC000794692474 1010498168 /nfs/dbraw/zinc/49/81/68/1010498168.db2.gz GHHXQQGPDQNOAW-RBUKOAKNSA-N 1 2 372.425 2.686 20 5 FFBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000120272415 1010603378 /nfs/dbraw/zinc/60/33/78/1010603378.db2.gz VKYQJHCOBAOOSU-CQSZACIVSA-N 1 2 351.362 2.638 20 5 FFBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000120272415 1010603385 /nfs/dbraw/zinc/60/33/85/1010603385.db2.gz VKYQJHCOBAOOSU-CQSZACIVSA-N 1 2 351.362 2.638 20 5 FFBDLO COC(=O)[C@@H](Cc1cccnc1)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172902605 1012075709 /nfs/dbraw/zinc/07/57/09/1012075709.db2.gz FOLHYZXQVLNIKF-PKOBYXMFSA-N 1 2 369.421 2.611 20 5 FFBDLO O=C1NCC2(CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)Oc2ccccc21 ZINC000932047012 1020687125 /nfs/dbraw/zinc/68/71/25/1020687125.db2.gz CTZKYKGTRVYDJY-UHFFFAOYSA-N 1 2 373.434 2.813 20 5 FFBDLO O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1O[C@@H]1CC[NH2+]CC1(F)F ZINC001218012254 1032951951 /nfs/dbraw/zinc/95/19/51/1032951951.db2.gz NGCBQNCGKKTZPM-SECBINFHSA-N 1 2 371.218 2.898 20 5 FFBDLO CCOC(=O)c1cc(C(=O)OCc2cc[nH+]c(N(C)C)c2)cc([N+](=O)[O-])c1 ZINC000755889695 1023647362 /nfs/dbraw/zinc/64/73/62/1023647362.db2.gz YROKCZKRPUBFQZ-UHFFFAOYSA-N 1 2 373.365 2.590 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1C[C@@H](CO)c2ccccc21 ZINC001141294436 1025782375 /nfs/dbraw/zinc/78/23/75/1025782375.db2.gz FGVPQZILUYOOLE-AWEZNQCLSA-N 1 2 364.361 2.517 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N(Cc1cccnc1)C1CC1 ZINC001141387466 1026119637 /nfs/dbraw/zinc/11/96/37/1026119637.db2.gz NQEVTXSHGPXCRH-UHFFFAOYSA-N 1 2 363.377 2.980 20 5 FFBDLO CCC[C@@H](C)NC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000838102632 1026210536 /nfs/dbraw/zinc/21/05/36/1026210536.db2.gz VQIIRJVOESHEET-OLZOCXBDSA-N 1 2 374.397 2.631 20 5 FFBDLO CO[C@H]1CC[N@H+](Cn2cc(C)n(-c3ccccc3[N+](=O)[O-])c2=O)CC1(C)C ZINC000840126680 1026969999 /nfs/dbraw/zinc/96/99/99/1026969999.db2.gz VKQPQTPAMRLAEI-KRWDZBQOSA-N 1 2 374.441 2.560 20 5 FFBDLO CO[C@H]1CC[N@@H+](Cn2cc(C)n(-c3ccccc3[N+](=O)[O-])c2=O)CC1(C)C ZINC000840126680 1026970002 /nfs/dbraw/zinc/97/00/02/1026970002.db2.gz VKQPQTPAMRLAEI-KRWDZBQOSA-N 1 2 374.441 2.560 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]C[C@@](C)(O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000780765283 1028799431 /nfs/dbraw/zinc/79/94/31/1028799431.db2.gz XUMKLHIKMBVNGI-FUHWJXTLSA-N 1 2 372.450 2.977 20 5 FFBDLO 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O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCO[C@@H](COc3ccccc3)C1)C2 ZINC001254608682 1040836642 /nfs/dbraw/zinc/83/66/42/1040836642.db2.gz SGTDZZWZNXIXEK-AZUAARDMSA-N 1 2 354.406 2.842 20 5 FFBDLO CNc1cc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc[nH+]1 ZINC001214786481 1041569098 /nfs/dbraw/zinc/56/90/98/1041569098.db2.gz XNHDFKNGDCJFPU-UHFFFAOYSA-N 1 2 367.312 2.955 20 5 FFBDLO COc1cccc(F)c1CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001538537889 1070449758 /nfs/dbraw/zinc/44/97/58/1070449758.db2.gz IBAVOIXEAHBBMI-UHFFFAOYSA-N 1 2 370.340 2.858 20 5 FFBDLO CCCCCC[C@@](O)(C[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1)C(=O)OC ZINC001329878226 1048946150 /nfs/dbraw/zinc/94/61/50/1048946150.db2.gz OMINVOIKHYUDAL-GOSISDBHSA-N 1 2 350.415 2.785 20 5 FFBDLO CCCCCC[C@@](O)(C[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1)C(=O)OC ZINC001329878226 1048946162 /nfs/dbraw/zinc/94/61/62/1048946162.db2.gz OMINVOIKHYUDAL-GOSISDBHSA-N 1 2 350.415 2.785 20 5 FFBDLO CCOC(=O)c1cc([N+](=O)[O-])c(N[C@H](CC)C[NH+]2CCOCC2)cc1C 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LAVLXICBDZXKPS-OAHLLOKOSA-N 1 2 372.425 2.686 20 5 FFBDLO Cc1cccnc1CCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001460037645 1060881236 /nfs/dbraw/zinc/88/12/36/1060881236.db2.gz RLODNOFEBFRGQZ-UHFFFAOYSA-N 1 2 365.393 2.847 20 5 FFBDLO O=C(Nc1cnc2ccccc2n1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001361211545 1062120332 /nfs/dbraw/zinc/12/03/32/1062120332.db2.gz RYTWABJCDQDMOA-UHFFFAOYSA-N 1 2 360.333 2.976 20 5 FFBDLO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)n1 ZINC001436384295 1062708190 /nfs/dbraw/zinc/70/81/90/1062708190.db2.gz VVNSOSDSIIBPFF-UHFFFAOYSA-N 1 2 354.370 2.678 20 5 FFBDLO O=C(Nc1ccc2oc(=O)[nH]c2c1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001440310629 1063294262 /nfs/dbraw/zinc/29/42/62/1063294262.db2.gz UWWSLGDFXQFQPB-UHFFFAOYSA-N 1 2 365.305 2.880 20 5 FFBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001467317163 1063707050 /nfs/dbraw/zinc/70/70/50/1063707050.db2.gz IIAVDEFORLFENN-LBPRGKRZSA-N 1 2 360.439 2.758 20 5 FFBDLO CN(CCCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1cccc[nH+]1 ZINC001471489912 1064693679 /nfs/dbraw/zinc/69/36/79/1064693679.db2.gz APRMKTGQOMLSSU-UHFFFAOYSA-N 1 2 356.426 2.910 20 5 FFBDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1ccc([N+](=O)[O-])cc1C(F)F ZINC001472833960 1065153851 /nfs/dbraw/zinc/15/38/51/1065153851.db2.gz JYXDFZVRLODLRJ-QGZVFWFLSA-N 1 2 371.384 2.560 20 5 FFBDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1ccc([N+](=O)[O-])cc1C(F)F ZINC001472833960 1065153855 /nfs/dbraw/zinc/15/38/55/1065153855.db2.gz JYXDFZVRLODLRJ-QGZVFWFLSA-N 1 2 371.384 2.560 20 5 FFBDLO COC(=O)c1cc(C)nc(N2CCC(Nc3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC001472879552 1065166018 /nfs/dbraw/zinc/16/60/18/1065166018.db2.gz DLNKHWPEWIWOLR-UHFFFAOYSA-N 1 2 371.397 2.561 20 5 FFBDLO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CC[C@H](CF)C2)c1 ZINC001473751033 1065346690 /nfs/dbraw/zinc/34/66/90/1065346690.db2.gz MGVTWSVDVDLOPD-SECBINFHSA-N 1 2 364.158 2.991 20 5 FFBDLO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CC[C@H](CF)C2)c1 ZINC001473751033 1065346697 /nfs/dbraw/zinc/34/66/97/1065346697.db2.gz MGVTWSVDVDLOPD-SECBINFHSA-N 1 2 364.158 2.991 20 5 FFBDLO C[C@@H]([NH2+][C@@H](CO)c1cc(F)ccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001473884507 1065406047 /nfs/dbraw/zinc/40/60/47/1065406047.db2.gz KBXPLLVXZRQBLC-HWPZZCPQSA-N 1 2 365.336 2.523 20 5 FFBDLO C[N@H+](CCn1cccn1)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001559543221 1076171601 /nfs/dbraw/zinc/17/16/01/1076171601.db2.gz PMGZMBWVMPGFCL-UHFFFAOYSA-N 1 2 362.777 2.627 20 5 FFBDLO C[N@@H+](CCn1cccn1)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001559543221 1076171606 /nfs/dbraw/zinc/17/16/06/1076171606.db2.gz PMGZMBWVMPGFCL-UHFFFAOYSA-N 1 2 362.777 2.627 20 5 FFBDLO Cc1[nH]c([C@H]2CCCN2S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[nH+]c1C ZINC001561921481 1076445840 /nfs/dbraw/zinc/44/58/40/1076445840.db2.gz IERCZWIHANOAPC-OAHLLOKOSA-N 1 2 364.427 2.602 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCc2c[nH]c(C(C)C)[nH+]2)c1C ZINC001561962746 1076455331 /nfs/dbraw/zinc/45/53/31/1076455331.db2.gz VLNQODVWSBIPHF-UHFFFAOYSA-N 1 2 352.416 2.537 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCc2c[nH+]c(C(C)C)[nH]2)c1C ZINC001561962746 1076455334 /nfs/dbraw/zinc/45/53/34/1076455334.db2.gz VLNQODVWSBIPHF-UHFFFAOYSA-N 1 2 352.416 2.537 20 5 FFBDLO O=C(COc1ccccc1[N+](=O)[O-])NCCn1c[nH+]cc1-c1ccccc1 ZINC001586318981 1079599724 /nfs/dbraw/zinc/59/97/24/1079599724.db2.gz KJTASTLMBQBUIP-UHFFFAOYSA-N 1 2 366.377 2.654 20 5 FFBDLO COc1c(C(=O)NCCn2c[nH+]cc2-c2ccccc2)cccc1[N+](=O)[O-] ZINC001586323160 1079601652 /nfs/dbraw/zinc/60/16/52/1079601652.db2.gz BFDMHYRETXBOGQ-UHFFFAOYSA-N 1 2 366.377 2.897 20 5 FFBDLO CC[C@@H](C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[N@@H+]1CCO[C@H](CC)C1 ZINC001587037910 1079724960 /nfs/dbraw/zinc/72/49/60/1079724960.db2.gz USTHKUJVNCCSJA-UAGQMJEPSA-N 1 2 363.458 2.970 20 5 FFBDLO CC[C@@H](C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[N@H+]1CCO[C@H](CC)C1 ZINC001587037910 1079724965 /nfs/dbraw/zinc/72/49/65/1079724965.db2.gz USTHKUJVNCCSJA-UAGQMJEPSA-N 1 2 363.458 2.970 20 5 FFBDLO C[C@@H]([NH2+][C@H](C)c1c(F)cncc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000285695221 257000187 /nfs/dbraw/zinc/00/01/87/257000187.db2.gz OAGGLIYHZRVEIG-NXEZZACHSA-N 1 2 350.325 2.946 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000272507638 252054539 /nfs/dbraw/zinc/05/45/39/252054539.db2.gz IHMYCKFOCGWGCH-OALUTQOASA-N 1 2 366.421 2.611 20 5 FFBDLO Cc1c(Cc2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cccc1[N+](=O)[O-] ZINC000278057578 256271611 /nfs/dbraw/zinc/27/16/11/256271611.db2.gz MFSFOYWAJLYWDR-GOEBONIOSA-N 1 2 358.398 2.803 20 5 FFBDLO Cc1c(Cc2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cccc1[N+](=O)[O-] ZINC000278057578 256271613 /nfs/dbraw/zinc/27/16/13/256271613.db2.gz MFSFOYWAJLYWDR-GOEBONIOSA-N 1 2 358.398 2.803 20 5 FFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000287209871 257077492 /nfs/dbraw/zinc/07/74/92/257077492.db2.gz DXKZNCLQESGUSK-HNNXBMFYSA-N 1 2 373.413 2.634 20 5 FFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000287209871 257077493 /nfs/dbraw/zinc/07/74/93/257077493.db2.gz DXKZNCLQESGUSK-HNNXBMFYSA-N 1 2 373.413 2.634 20 5 FFBDLO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000287994295 257137141 /nfs/dbraw/zinc/13/71/41/257137141.db2.gz AIUOYUKCMZHCJW-CYBMUJFWSA-N 1 2 365.459 2.667 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])c(-c2nc([C@@H]3C[N@@H+](C4CC4)CCO3)no2)c1 ZINC000288914805 257237195 /nfs/dbraw/zinc/23/71/95/257237195.db2.gz CKSLBGKLEHAJSN-HNNXBMFYSA-N 1 2 360.370 2.579 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])c(-c2nc([C@@H]3C[N@H+](C4CC4)CCO3)no2)c1 ZINC000288914805 257237196 /nfs/dbraw/zinc/23/71/96/257237196.db2.gz CKSLBGKLEHAJSN-HNNXBMFYSA-N 1 2 360.370 2.579 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])c(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000289018375 257247841 /nfs/dbraw/zinc/24/78/41/257247841.db2.gz FJPNFTRHZOZQHU-BLLLJJGKSA-N 1 2 374.397 2.969 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])c(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000289018375 257247843 /nfs/dbraw/zinc/24/78/43/257247843.db2.gz FJPNFTRHZOZQHU-BLLLJJGKSA-N 1 2 374.397 2.969 20 5 FFBDLO O=c1nc([C@@H]2CCC[N@@H+](Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C2)[nH][nH]1 ZINC000289783151 257298931 /nfs/dbraw/zinc/29/89/31/257298931.db2.gz MVGAYVYQXIZMMG-MRVPVSSYSA-N 1 2 372.212 2.693 20 5 FFBDLO O=c1nc([C@@H]2CCC[N@H+](Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C2)[nH][nH]1 ZINC000289783151 257298932 /nfs/dbraw/zinc/29/89/32/257298932.db2.gz MVGAYVYQXIZMMG-MRVPVSSYSA-N 1 2 372.212 2.693 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@H](n4cc(Cl)cn4)C3)n2)c1 ZINC000289869992 257303894 /nfs/dbraw/zinc/30/38/94/257303894.db2.gz LSCPMJODDIGWSB-AWEZNQCLSA-N 1 2 374.788 2.942 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@H](n4cc(Cl)cn4)C3)n2)c1 ZINC000289869992 257303895 /nfs/dbraw/zinc/30/38/95/257303895.db2.gz LSCPMJODDIGWSB-AWEZNQCLSA-N 1 2 374.788 2.942 20 5 FFBDLO CCc1nocc1C[N@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000293276553 257539743 /nfs/dbraw/zinc/53/97/43/257539743.db2.gz CIJACGAQUAQDGL-LLVKDONJSA-N 1 2 362.386 2.613 20 5 FFBDLO CCc1nocc1C[N@@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000293276553 257539744 /nfs/dbraw/zinc/53/97/44/257539744.db2.gz CIJACGAQUAQDGL-LLVKDONJSA-N 1 2 362.386 2.613 20 5 FFBDLO CC(C)[C@@]1(CO)CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000294603252 257594796 /nfs/dbraw/zinc/59/47/96/257594796.db2.gz GIOOOMYHKJNGFM-IBGZPJMESA-N 1 2 372.425 2.651 20 5 FFBDLO Cc1[nH]nc(C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)c1[N+](=O)[O-] ZINC000299561318 258005562 /nfs/dbraw/zinc/00/55/62/258005562.db2.gz TXOBIGXDCQTACS-UHFFFAOYSA-N 1 2 354.370 2.955 20 5 FFBDLO C[C@H]1C[NH+]=C(N2CCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)S1 ZINC000301603191 258058065 /nfs/dbraw/zinc/05/80/65/258058065.db2.gz WUXSKRZSTINOJG-LBPRGKRZSA-N 1 2 357.439 2.756 20 5 FFBDLO CN(C(=O)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)C1CCCCC1 ZINC000331978129 258208596 /nfs/dbraw/zinc/20/85/96/258208596.db2.gz MVUZVJZRMRMOAN-UHFFFAOYSA-N 1 2 374.485 2.504 20 5 FFBDLO CN(C(=O)CN1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)C1CCCCC1 ZINC000331978129 258208597 /nfs/dbraw/zinc/20/85/97/258208597.db2.gz MVUZVJZRMRMOAN-UHFFFAOYSA-N 1 2 374.485 2.504 20 5 FFBDLO Cc1c(NC(=O)CC[N@H+]2C[C@H]3CCCCN3C[C@H]2C)cccc1[N+](=O)[O-] ZINC000332008719 258210049 /nfs/dbraw/zinc/21/00/49/258210049.db2.gz JSUQEZANNSMVID-GDBMZVCRSA-N 1 2 360.458 2.790 20 5 FFBDLO Cc1c(NC(=O)CC[N@@H+]2C[C@H]3CCCCN3C[C@H]2C)cccc1[N+](=O)[O-] ZINC000332008719 258210050 /nfs/dbraw/zinc/21/00/50/258210050.db2.gz JSUQEZANNSMVID-GDBMZVCRSA-N 1 2 360.458 2.790 20 5 FFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000403880249 512967505 /nfs/dbraw/zinc/96/75/05/512967505.db2.gz KFFKFGKRRMOWOB-SNVBAGLBSA-N 1 2 365.174 2.807 20 5 FFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000403880249 512967509 /nfs/dbraw/zinc/96/75/09/512967509.db2.gz KFFKFGKRRMOWOB-SNVBAGLBSA-N 1 2 365.174 2.807 20 5 FFBDLO CCn1c(CCNc2ccc(C(N)=O)cc2[N+](=O)[O-])[nH+]c2ccccc21 ZINC000065228916 506271374 /nfs/dbraw/zinc/27/13/74/506271374.db2.gz VMOSJXLFGRSUOR-UHFFFAOYSA-N 1 2 353.382 2.718 20 5 FFBDLO C[C@@H]1c2cccn2CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032627272 506271556 /nfs/dbraw/zinc/27/15/56/506271556.db2.gz NCBYCMZOESQYBA-CYBMUJFWSA-N 1 2 351.366 2.799 20 5 FFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000053340066 506357842 /nfs/dbraw/zinc/35/78/42/506357842.db2.gz VNTGCUALBGSFRZ-MRXNPFEDSA-N 1 2 369.356 2.690 20 5 FFBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000368984620 512168523 /nfs/dbraw/zinc/16/85/23/512168523.db2.gz ZTVDJPQSOXECDZ-UHFFFAOYSA-N 1 2 357.414 2.512 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2scnc2C)c([N+](=O)[O-])c1 ZINC000066566053 506556520 /nfs/dbraw/zinc/55/65/20/506556520.db2.gz BOKOPHYYTANLMU-LLVKDONJSA-N 1 2 364.427 2.827 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2scnc2C)c([N+](=O)[O-])c1 ZINC000066566053 506556526 /nfs/dbraw/zinc/55/65/26/506556526.db2.gz BOKOPHYYTANLMU-LLVKDONJSA-N 1 2 364.427 2.827 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cscn3)CC2)c2ncccc12 ZINC000054981620 506654529 /nfs/dbraw/zinc/65/45/29/506654529.db2.gz KTWBVUACJKROQB-UHFFFAOYSA-N 1 2 355.423 2.922 20 5 FFBDLO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCCn3cc[nH+]c3)cc2[N+](=O)[O-])C1 ZINC000043947831 506800352 /nfs/dbraw/zinc/80/03/52/506800352.db2.gz SRPWENUKMHXNSL-GJZGRUSLSA-N 1 2 371.441 2.704 20 5 FFBDLO COc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000055695828 506828286 /nfs/dbraw/zinc/82/82/86/506828286.db2.gz JSKLLCTXAVZLQS-UHFFFAOYSA-N 1 2 352.350 2.719 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000016564629 507096332 /nfs/dbraw/zinc/09/63/32/507096332.db2.gz HTVFCIWHHPXNFG-OAHLLOKOSA-N 1 2 354.410 2.744 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000016591567 507097727 /nfs/dbraw/zinc/09/77/27/507097727.db2.gz XVGMQPMLJJOXNY-SNVBAGLBSA-N 1 2 361.320 2.816 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000016591567 507097732 /nfs/dbraw/zinc/09/77/32/507097732.db2.gz XVGMQPMLJJOXNY-SNVBAGLBSA-N 1 2 361.320 2.816 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ccccc2)CC1 ZINC000057406085 507256791 /nfs/dbraw/zinc/25/67/91/507256791.db2.gz CUZGGGOTYKPXKG-OAHLLOKOSA-N 1 2 354.410 2.744 20 5 FFBDLO COc1ccc(Cn2c3ccccc3[nH+]c2NC[C@H](C)O)cc1[N+](=O)[O-] ZINC000047369986 507317740 /nfs/dbraw/zinc/31/77/40/507317740.db2.gz GNWFXSPWZZSMKV-LBPRGKRZSA-N 1 2 356.382 2.794 20 5 FFBDLO Cc1sc(C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)cc1[N+](=O)[O-] ZINC000057754685 507321959 /nfs/dbraw/zinc/32/19/59/507321959.db2.gz DXBCUGLUUHCFOA-UHFFFAOYSA-N 1 2 362.333 2.996 20 5 FFBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000057755931 507322981 /nfs/dbraw/zinc/32/29/81/507322981.db2.gz ZFXMXIFEVZTQSY-UHFFFAOYSA-N 1 2 356.304 2.555 20 5 FFBDLO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000024190334 507397326 /nfs/dbraw/zinc/39/73/26/507397326.db2.gz ZSDPBLLYISRVAD-UHFFFAOYSA-N 1 2 355.394 2.826 20 5 FFBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000069429140 507490726 /nfs/dbraw/zinc/49/07/26/507490726.db2.gz NFXGSHPDZXSBLX-GFCCVEGCSA-N 1 2 352.350 2.977 20 5 FFBDLO CS(=O)(=O)c1ccc(NCCCc2[nH]c3ccccc3[nH+]2)c([N+](=O)[O-])c1 ZINC000028625094 507730903 /nfs/dbraw/zinc/73/09/03/507730903.db2.gz RPOLTEGOJMBHAI-UHFFFAOYSA-N 1 2 374.422 2.919 20 5 FFBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000028693975 507736863 /nfs/dbraw/zinc/73/68/63/507736863.db2.gz BNTLHHGKZWYPOA-UHFFFAOYSA-N 1 2 372.450 2.670 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)s1 ZINC000064029302 507783491 /nfs/dbraw/zinc/78/34/91/507783491.db2.gz CHDLGTYVKXPUID-UHFFFAOYSA-N 1 2 361.423 2.750 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CCN(Cc3cn4cc(Cl)ccc4[nH+]3)CC2)nc1 ZINC000064114998 507785411 /nfs/dbraw/zinc/78/54/11/507785411.db2.gz RXTNAHLVMGQGFT-UHFFFAOYSA-N 1 2 372.816 2.613 20 5 FFBDLO O=C(c1ccc(F)cc1)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000052533654 507812953 /nfs/dbraw/zinc/81/29/53/507812953.db2.gz BZILPUZFPYIGHK-UHFFFAOYSA-N 1 2 357.385 2.734 20 5 FFBDLO COc1cccc(N2CC[NH+](Cc3cc([N+](=O)[O-])ccc3OC)CC2)c1 ZINC000030963546 507815108 /nfs/dbraw/zinc/81/51/08/507815108.db2.gz ZMFBWJDRFMVEHA-UHFFFAOYSA-N 1 2 357.410 2.934 20 5 FFBDLO CC(C)CCc1noc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000072665051 507840044 /nfs/dbraw/zinc/84/00/44/507840044.db2.gz NTLPQVCIVUSIKB-CYBMUJFWSA-N 1 2 360.418 2.648 20 5 FFBDLO CC(C)CCc1noc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000072665051 507840046 /nfs/dbraw/zinc/84/00/46/507840046.db2.gz NTLPQVCIVUSIKB-CYBMUJFWSA-N 1 2 360.418 2.648 20 5 FFBDLO CC[C@@](C)([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1nccs1 ZINC000072684365 507841832 /nfs/dbraw/zinc/84/18/32/507841832.db2.gz STCVCTGYTPDAIM-MRXNPFEDSA-N 1 2 364.427 2.913 20 5 FFBDLO CN1CC[NH+](Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])s3)c2)CC1 ZINC000108925848 507925771 /nfs/dbraw/zinc/92/57/71/507925771.db2.gz MDSOQMLKDHLIEA-UHFFFAOYSA-N 1 2 360.439 2.656 20 5 FFBDLO C[C@H](NC(=O)NCCc1cn2c([nH+]1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000079443718 507963035 /nfs/dbraw/zinc/96/30/35/507963035.db2.gz LROVRZJULZXZBN-ZDUSSCGKSA-N 1 2 357.414 2.731 20 5 FFBDLO CCC[C@](C)([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C(=O)OC ZINC000109803333 507988538 /nfs/dbraw/zinc/98/85/38/507988538.db2.gz SZCQJKOVUSAKDF-KRWDZBQOSA-N 1 2 351.403 2.553 20 5 FFBDLO O=C(N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1ccc([N+](=O)[O-])o1 ZINC000110979363 508063067 /nfs/dbraw/zinc/06/30/67/508063067.db2.gz WCTHXRZIDCNYGM-LLVKDONJSA-N 1 2 365.336 2.860 20 5 FFBDLO O=C(N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1ccc([N+](=O)[O-])o1 ZINC000110979363 508063070 /nfs/dbraw/zinc/06/30/70/508063070.db2.gz WCTHXRZIDCNYGM-LLVKDONJSA-N 1 2 365.336 2.860 20 5 FFBDLO Cc1ccc(C[NH+]2CCN(Cc3nccn3C(F)F)CC2)cc1[N+](=O)[O-] ZINC000092614436 508087161 /nfs/dbraw/zinc/08/71/61/508087161.db2.gz FBDDRSLJCBCNRI-UHFFFAOYSA-N 1 2 365.384 2.813 20 5 FFBDLO COc1ccc(C[N@H+](CCO)Cc2csc([N+](=O)[O-])c2)c(OC)c1 ZINC000111322160 508090355 /nfs/dbraw/zinc/09/03/55/508090355.db2.gz XYIFIEOEOUBWPY-UHFFFAOYSA-N 1 2 352.412 2.668 20 5 FFBDLO COc1ccc(C[N@@H+](CCO)Cc2csc([N+](=O)[O-])c2)c(OC)c1 ZINC000111322160 508090356 /nfs/dbraw/zinc/09/03/56/508090356.db2.gz XYIFIEOEOUBWPY-UHFFFAOYSA-N 1 2 352.412 2.668 20 5 FFBDLO CCc1nn(C)c(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000092827061 508103419 /nfs/dbraw/zinc/10/34/19/508103419.db2.gz FRJUQKGPFOXIKH-UHFFFAOYSA-N 1 2 363.849 2.866 20 5 FFBDLO CCc1[nH+]c2ccccc2n1C1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000092961450 508110248 /nfs/dbraw/zinc/11/02/48/508110248.db2.gz CTTHWSMXHFWDNC-UHFFFAOYSA-N 1 2 367.413 2.721 20 5 FFBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075554385 508116669 /nfs/dbraw/zinc/11/66/69/508116669.db2.gz UFAYVPHUQACUNV-CQSZACIVSA-N 1 2 357.414 2.916 20 5 FFBDLO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075557339 508117266 /nfs/dbraw/zinc/11/72/66/508117266.db2.gz FZQBTNPYNJAWGL-CYBMUJFWSA-N 1 2 355.398 2.912 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000075705485 508129365 /nfs/dbraw/zinc/12/93/65/508129365.db2.gz MPHNLSAVWKMKCX-UHFFFAOYSA-N 1 2 358.379 2.890 20 5 FFBDLO COc1cc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc2c1OCCO2 ZINC000093443691 508146087 /nfs/dbraw/zinc/14/60/87/508146087.db2.gz RLMWLERUBANHKQ-UHFFFAOYSA-N 1 2 356.378 2.933 20 5 FFBDLO COc1cc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc2c1OCCO2 ZINC000093443691 508146090 /nfs/dbraw/zinc/14/60/90/508146090.db2.gz RLMWLERUBANHKQ-UHFFFAOYSA-N 1 2 356.378 2.933 20 5 FFBDLO O=C(C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)NCc1ccco1 ZINC000113319056 508260477 /nfs/dbraw/zinc/26/04/77/508260477.db2.gz ORQYLVSYAVGHLR-UHFFFAOYSA-N 1 2 372.406 2.717 20 5 FFBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152266315 508412207 /nfs/dbraw/zinc/41/22/07/508412207.db2.gz MQKWFKYRGDSULK-AWEZNQCLSA-N 1 2 357.414 2.849 20 5 FFBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152266315 508412210 /nfs/dbraw/zinc/41/22/10/508412210.db2.gz MQKWFKYRGDSULK-AWEZNQCLSA-N 1 2 357.414 2.849 20 5 FFBDLO Cc1c(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000369407205 512397042 /nfs/dbraw/zinc/39/70/42/512397042.db2.gz FRLOGQPPWUZBJP-UHFFFAOYSA-N 1 2 373.369 2.863 20 5 FFBDLO Cc1c(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000369407205 512397047 /nfs/dbraw/zinc/39/70/47/512397047.db2.gz FRLOGQPPWUZBJP-UHFFFAOYSA-N 1 2 373.369 2.863 20 5 FFBDLO Cc1ccc([C@@H](C)NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000122081382 508478744 /nfs/dbraw/zinc/47/87/44/508478744.db2.gz OFVKLXSAFOQDPU-GDBMZVCRSA-N 1 2 369.425 2.937 20 5 FFBDLO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000367231712 512398431 /nfs/dbraw/zinc/39/84/31/512398431.db2.gz QNKPMMDJFVJPNM-OAHLLOKOSA-N 1 2 355.394 2.695 20 5 FFBDLO O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000367231712 512398434 /nfs/dbraw/zinc/39/84/34/512398434.db2.gz QNKPMMDJFVJPNM-OAHLLOKOSA-N 1 2 355.394 2.695 20 5 FFBDLO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)Cn1cc[nH+]c1 ZINC000153625524 508611742 /nfs/dbraw/zinc/61/17/42/508611742.db2.gz HBFMDVGULLLGLA-OAHLLOKOSA-N 1 2 371.441 2.848 20 5 FFBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000158343263 508691073 /nfs/dbraw/zinc/69/10/73/508691073.db2.gz UZLXXRSDRUTDIZ-GFCCVEGCSA-N 1 2 360.439 2.758 20 5 FFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000118993745 508702537 /nfs/dbraw/zinc/70/25/37/508702537.db2.gz RJBXSYFNMKVKJA-ZDUSSCGKSA-N 1 2 360.801 2.581 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCOCc1ccccc1 ZINC000154640662 508824459 /nfs/dbraw/zinc/82/44/59/508824459.db2.gz GRHCLIOXIIYCNS-UHFFFAOYSA-N 1 2 357.410 2.990 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCOCc1ccccc1 ZINC000154640662 508824460 /nfs/dbraw/zinc/82/44/60/508824460.db2.gz GRHCLIOXIIYCNS-UHFFFAOYSA-N 1 2 357.410 2.990 20 5 FFBDLO O=C(Cc1ccccc1F)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000143103144 508828039 /nfs/dbraw/zinc/82/80/39/508828039.db2.gz ILVMORVCUKEVIY-UHFFFAOYSA-N 1 2 357.385 2.621 20 5 FFBDLO CC1CCN(c2ccc(C(=O)N3CC[NH+](C4CC4)CC3)cc2[N+](=O)[O-])CC1 ZINC000124932861 508906699 /nfs/dbraw/zinc/90/66/99/508906699.db2.gz PEVINAQDLPDXLZ-UHFFFAOYSA-N 1 2 372.469 2.751 20 5 FFBDLO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2c2c(F)cc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000160499798 508995644 /nfs/dbraw/zinc/99/56/44/508995644.db2.gz UMBMEPPEOQEOAL-XQQFMLRXSA-N 1 2 355.385 2.951 20 5 FFBDLO C[C@@H]1C[N@H+](C[C@@H]2CCCN2c2c(F)cc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000160499798 508995645 /nfs/dbraw/zinc/99/56/45/508995645.db2.gz UMBMEPPEOQEOAL-XQQFMLRXSA-N 1 2 355.385 2.951 20 5 FFBDLO COC(=O)[C@H]1C[C@H](OC)C[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000125786505 509029783 /nfs/dbraw/zinc/02/97/83/509029783.db2.gz FGKRBVJNUQBKAN-XJKSGUPXSA-N 1 2 360.366 2.617 20 5 FFBDLO COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000125786505 509029785 /nfs/dbraw/zinc/02/97/85/509029785.db2.gz FGKRBVJNUQBKAN-XJKSGUPXSA-N 1 2 360.366 2.617 20 5 FFBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000155622190 509039699 /nfs/dbraw/zinc/03/96/99/509039699.db2.gz ANZJGYRRRDEYBT-RMKNXTFCSA-N 1 2 368.393 2.787 20 5 FFBDLO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000121150925 509139009 /nfs/dbraw/zinc/13/90/09/509139009.db2.gz HSOOPSLYDVTUAP-ZDUSSCGKSA-N 1 2 370.409 2.651 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)n1 ZINC000121385232 509171188 /nfs/dbraw/zinc/17/11/88/509171188.db2.gz WPCSMMNOXKNOAT-OKILXGFUSA-N 1 2 357.414 2.919 20 5 FFBDLO O=C1[C@@H]([NH+]2CCN(c3cccs3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000121424866 509173155 /nfs/dbraw/zinc/17/31/55/509173155.db2.gz VPVBZMAUGBPPCF-INIZCTEOSA-N 1 2 372.450 2.584 20 5 FFBDLO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000121428894 509173192 /nfs/dbraw/zinc/17/31/92/509173192.db2.gz YKFBDXUMAAPXFL-GFCCVEGCSA-N 1 2 350.400 2.542 20 5 FFBDLO O=C(NCCCc1ccccn1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000179071978 509250497 /nfs/dbraw/zinc/25/04/97/509250497.db2.gz KJXWQUBWICPXIA-UHFFFAOYSA-N 1 2 351.366 2.538 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1Cc2ccccc2C[C@@H]1C ZINC000172905864 509302343 /nfs/dbraw/zinc/30/23/43/509302343.db2.gz LKCKNODIHNHGRD-ZDUSSCGKSA-N 1 2 355.394 2.989 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1Cc2ccccc2C[C@@H]1C ZINC000172905864 509302350 /nfs/dbraw/zinc/30/23/50/509302350.db2.gz LKCKNODIHNHGRD-ZDUSSCGKSA-N 1 2 355.394 2.989 20 5 FFBDLO NC(=O)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 ZINC000179218573 509324141 /nfs/dbraw/zinc/32/41/41/509324141.db2.gz LZSSHDMIBCDUDN-AWEZNQCLSA-N 1 2 364.199 2.674 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc[nH+]c(C)c1Cl ZINC000165271463 509565022 /nfs/dbraw/zinc/56/50/22/509565022.db2.gz LEAYVPVXMCSRAD-UHFFFAOYSA-N 1 2 357.775 2.761 20 5 FFBDLO COc1c(C)c[nH+]c(Cn2cc([N+](=O)[O-])cc(Br)c2=O)c1C ZINC000267977868 509699132 /nfs/dbraw/zinc/69/91/32/509699132.db2.gz FCJKFYWIYXQYFQ-UHFFFAOYSA-N 1 2 368.187 2.588 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(Cc2nccn2C(F)F)CC1 ZINC000183305095 509708126 /nfs/dbraw/zinc/70/81/26/509708126.db2.gz ZTCHZQNBVSZTAD-UHFFFAOYSA-N 1 2 365.384 2.813 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000249688053 509736541 /nfs/dbraw/zinc/73/65/41/509736541.db2.gz SPNPDOZOHVGIPC-QWHCGFSZSA-N 1 2 373.413 2.533 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000249688053 509736549 /nfs/dbraw/zinc/73/65/49/509736549.db2.gz SPNPDOZOHVGIPC-QWHCGFSZSA-N 1 2 373.413 2.533 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c1 ZINC000173766297 509764060 /nfs/dbraw/zinc/76/40/60/509764060.db2.gz ZPZXSFPYSIKGRE-HNNXBMFYSA-N 1 2 354.410 2.817 20 5 FFBDLO NC(=O)[C@@H](c1ccc(F)cc1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173798976 509785956 /nfs/dbraw/zinc/78/59/56/509785956.db2.gz NVWYSZZOVISEKB-GOSISDBHSA-N 1 2 373.384 2.804 20 5 FFBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000268230269 509826191 /nfs/dbraw/zinc/82/61/91/509826191.db2.gz KUQXVFKCXUOTHS-UHFFFAOYSA-N 1 2 370.818 2.540 20 5 FFBDLO CCc1ccc(C(=O)N2CC[NH+](Cc3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000174065039 509931271 /nfs/dbraw/zinc/93/12/71/509931271.db2.gz BRCLLWOAPYTXKL-UHFFFAOYSA-N 1 2 354.410 2.510 20 5 FFBDLO CCc1ccc(C(=O)N2CC[NH+](Cc3c(C)noc3C)CC2)cc1[N+](=O)[O-] ZINC000174095931 509947455 /nfs/dbraw/zinc/94/74/55/509947455.db2.gz FIAJKXHRTVOQAU-UHFFFAOYSA-N 1 2 372.425 2.720 20 5 FFBDLO CCc1[nH+]c2ccccc2n1CC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000193586316 509977788 /nfs/dbraw/zinc/97/77/88/509977788.db2.gz LJRIZRJGQKQTLZ-UHFFFAOYSA-N 1 2 368.393 2.832 20 5 FFBDLO Cc1ccccc1[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)CO1 ZINC000245573598 510017009 /nfs/dbraw/zinc/01/70/09/510017009.db2.gz DCPFRJJICGVOQC-MAUKXSAKSA-N 1 2 357.410 2.527 20 5 FFBDLO Cc1ccccc1[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)CO1 ZINC000245573598 510017019 /nfs/dbraw/zinc/01/70/19/510017019.db2.gz DCPFRJJICGVOQC-MAUKXSAKSA-N 1 2 357.410 2.527 20 5 FFBDLO CC(C)[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCS1 ZINC000174261162 510028975 /nfs/dbraw/zinc/02/89/75/510028975.db2.gz GIAGCLNXHDHROQ-MRXNPFEDSA-N 1 2 360.439 2.994 20 5 FFBDLO C[C@@H](C(=O)NCc1ccnc(-n2cc[nH+]c2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000183914553 510036830 /nfs/dbraw/zinc/03/68/30/510036830.db2.gz SPDKODKPGAPKIF-GFCCVEGCSA-N 1 2 369.356 2.735 20 5 FFBDLO Cc1cc(NC[C@H](C)c2nncn2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000190281868 510043332 /nfs/dbraw/zinc/04/33/32/510043332.db2.gz BGAPOWLRTDWURV-NSHDSACASA-N 1 2 353.386 2.704 20 5 FFBDLO CCc1n[nH]c(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000171371674 510112277 /nfs/dbraw/zinc/11/22/77/510112277.db2.gz PMFJWYBVMAJKLB-UHFFFAOYSA-N 1 2 372.429 2.586 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000184075503 510120114 /nfs/dbraw/zinc/12/01/14/510120114.db2.gz WSPANWRPCLIRFL-UHFFFAOYSA-N 1 2 370.413 2.664 20 5 FFBDLO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccc(Cl)nc1 ZINC000174583946 510192202 /nfs/dbraw/zinc/19/22/02/510192202.db2.gz TZYFOODRCOZVIB-UHFFFAOYSA-N 1 2 360.801 2.664 20 5 FFBDLO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccc(Cl)nc1 ZINC000174583946 510192208 /nfs/dbraw/zinc/19/22/08/510192208.db2.gz TZYFOODRCOZVIB-UHFFFAOYSA-N 1 2 360.801 2.664 20 5 FFBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000184406501 510308769 /nfs/dbraw/zinc/30/87/69/510308769.db2.gz IJMSXIXNANDQOA-QPJJXVBHSA-N 1 2 366.421 2.648 20 5 FFBDLO C[C@H](c1nccs1)N1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000184643599 510436544 /nfs/dbraw/zinc/43/65/44/510436544.db2.gz FZQNADFCCMMGKM-CQSZACIVSA-N 1 2 362.455 2.809 20 5 FFBDLO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000184777515 510512367 /nfs/dbraw/zinc/51/23/67/510512367.db2.gz PKSPKIBFOBXTHD-UHFFFAOYSA-N 1 2 359.382 2.630 20 5 FFBDLO COc1cccc2c1[nH+]c(NCc1cc(OC)c(O)c([N+](=O)[O-])c1)n2C ZINC000184792158 510517812 /nfs/dbraw/zinc/51/78/12/510517812.db2.gz ZXZIZNCHRCJSAM-UHFFFAOYSA-N 1 2 358.354 2.816 20 5 FFBDLO C[C@H](N1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1)C(F)(F)F ZINC000178282038 510526637 /nfs/dbraw/zinc/52/66/37/510526637.db2.gz NOALCFUALHHELM-ZDUSSCGKSA-N 1 2 361.364 2.932 20 5 FFBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000266409489 510568934 /nfs/dbraw/zinc/56/89/34/510568934.db2.gz NKFFKKXYPLNCLQ-UHFFFAOYSA-N 1 2 357.414 2.697 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000246755705 510655355 /nfs/dbraw/zinc/65/53/55/510655355.db2.gz BNWNQIYLXVCPSZ-MEDUHNTESA-N 1 2 353.806 2.688 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000246755705 510655357 /nfs/dbraw/zinc/65/53/57/510655357.db2.gz BNWNQIYLXVCPSZ-MEDUHNTESA-N 1 2 353.806 2.688 20 5 FFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000175556212 510678018 /nfs/dbraw/zinc/67/80/18/510678018.db2.gz OGCKOEYZNQQJIF-AWEZNQCLSA-N 1 2 372.400 2.956 20 5 FFBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)COc1ccc(-n2cc[nH+]c2)cc1 ZINC000182270554 510839758 /nfs/dbraw/zinc/83/97/58/510839758.db2.gz COKHGNWFUVSQPI-HNNXBMFYSA-N 1 2 355.350 2.599 20 5 FFBDLO CC(C)[C@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)c1nncn1C ZINC000285427002 510902200 /nfs/dbraw/zinc/90/22/00/510902200.db2.gz QRXFYIDWGIZAPI-ZDUSSCGKSA-N 1 2 368.235 2.973 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000364623182 510977834 /nfs/dbraw/zinc/97/78/34/510977834.db2.gz NQEYJISDRJQAFT-UHFFFAOYSA-N 1 2 368.353 2.506 20 5 FFBDLO C[C@@]12CCN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)C[C@@H]1C2(F)F ZINC000294219745 510994787 /nfs/dbraw/zinc/99/47/87/510994787.db2.gz YTKZXQBJFFSCDS-GOEBONIOSA-N 1 2 362.336 2.898 20 5 FFBDLO COc1cc(C(=O)NCCCCNc2cccc[nH+]2)c([N+](=O)[O-])cc1F ZINC000294649102 511132355 /nfs/dbraw/zinc/13/23/55/511132355.db2.gz RBXDDVCRAHXLPS-UHFFFAOYSA-N 1 2 362.361 2.760 20 5 FFBDLO CC[C@@H](c1ccncc1)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000271426285 511200708 /nfs/dbraw/zinc/20/07/08/511200708.db2.gz SHBFDMSNJUKGSD-AWEZNQCLSA-N 1 2 372.381 2.740 20 5 FFBDLO CC[C@@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000271426285 511200713 /nfs/dbraw/zinc/20/07/13/511200713.db2.gz SHBFDMSNJUKGSD-AWEZNQCLSA-N 1 2 372.381 2.740 20 5 FFBDLO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000295703325 511488825 /nfs/dbraw/zinc/48/88/25/511488825.db2.gz UEOYCZXOXHUAMG-NWDGAFQWSA-N 1 2 361.348 2.654 20 5 FFBDLO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000295703325 511488832 /nfs/dbraw/zinc/48/88/32/511488832.db2.gz UEOYCZXOXHUAMG-NWDGAFQWSA-N 1 2 361.348 2.654 20 5 FFBDLO CCn1cc[nH+]c1CNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000295830889 511528075 /nfs/dbraw/zinc/52/80/75/511528075.db2.gz UYBCJMZPQQWBPY-UHFFFAOYSA-N 1 2 367.203 2.812 20 5 FFBDLO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000281196077 511756288 /nfs/dbraw/zinc/75/62/88/511756288.db2.gz KQDLAAUPOZQRRZ-UHFFFAOYSA-N 1 2 357.410 2.941 20 5 FFBDLO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000281196077 511756290 /nfs/dbraw/zinc/75/62/90/511756290.db2.gz KQDLAAUPOZQRRZ-UHFFFAOYSA-N 1 2 357.410 2.941 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@H](CO)CC1 ZINC000293121592 511847614 /nfs/dbraw/zinc/84/76/14/511847614.db2.gz MINSXAMCCZVMFB-NEPJUHHUSA-N 1 2 355.822 2.670 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@H](CO)CC1 ZINC000293121592 511847619 /nfs/dbraw/zinc/84/76/19/511847619.db2.gz MINSXAMCCZVMFB-NEPJUHHUSA-N 1 2 355.822 2.670 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@H](CO)CC1 ZINC000293121602 511847970 /nfs/dbraw/zinc/84/79/70/511847970.db2.gz MINSXAMCCZVMFB-RYUDHWBXSA-N 1 2 355.822 2.670 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@H](CO)CC1 ZINC000293121602 511847973 /nfs/dbraw/zinc/84/79/73/511847973.db2.gz MINSXAMCCZVMFB-RYUDHWBXSA-N 1 2 355.822 2.670 20 5 FFBDLO COc1cc(C[NH2+][C@]2(CO)CCOc3ccccc32)c([N+](=O)[O-])cc1F ZINC000281795134 511969174 /nfs/dbraw/zinc/96/91/74/511969174.db2.gz UVZDQXSZPUUIRJ-SFHVURJKSA-N 1 2 362.357 2.502 20 5 FFBDLO COCCn1cc(CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000281926559 512014024 /nfs/dbraw/zinc/01/40/24/512014024.db2.gz OJOFHPGBIKSRQT-UHFFFAOYSA-N 1 2 368.397 2.815 20 5 FFBDLO Cc1nc(NC[C@@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000297192405 512056411 /nfs/dbraw/zinc/05/64/11/512056411.db2.gz QSFZKFBLYHAJEO-RISCZKNCSA-N 1 2 363.443 2.629 20 5 FFBDLO Cc1nc(NC[C@@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000297192405 512056416 /nfs/dbraw/zinc/05/64/16/512056416.db2.gz QSFZKFBLYHAJEO-RISCZKNCSA-N 1 2 363.443 2.629 20 5 FFBDLO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccco2)CC1 ZINC000411203710 512518566 /nfs/dbraw/zinc/51/85/66/512518566.db2.gz YBTGRFCAKXNCJD-ZWKOTPCHSA-N 1 2 355.394 2.636 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000375948063 512583744 /nfs/dbraw/zinc/58/37/44/512583744.db2.gz NGLODKDNVPOTIP-AWEZNQCLSA-N 1 2 369.425 2.922 20 5 FFBDLO CCOC(=O)c1ccnc(NC[C@@H]2CCCn3cc(C)[nH+]c32)c1[N+](=O)[O-] ZINC000378233471 512651188 /nfs/dbraw/zinc/65/11/88/512651188.db2.gz OGMGRHITCYSBGZ-LBPRGKRZSA-N 1 2 359.386 2.661 20 5 FFBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000378241263 512654809 /nfs/dbraw/zinc/65/48/09/512654809.db2.gz HFXHKXASKJOROI-OAHLLOKOSA-N 1 2 371.441 2.986 20 5 FFBDLO CC(C)[C@@]1(CO)CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000368060151 512785068 /nfs/dbraw/zinc/78/50/68/512785068.db2.gz ZWWWURXREWKIIO-INIZCTEOSA-N 1 2 355.822 2.527 20 5 FFBDLO CC(C)[C@@]1(CO)CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000368060151 512785070 /nfs/dbraw/zinc/78/50/70/512785070.db2.gz ZWWWURXREWKIIO-INIZCTEOSA-N 1 2 355.822 2.527 20 5 FFBDLO COc1ccc(C[NH2+][C@@H](c2nc(C)no2)C2CCOCC2)cc1[N+](=O)[O-] ZINC000376739435 512967239 /nfs/dbraw/zinc/96/72/39/512967239.db2.gz JGESQAGTJXOXRX-MRXNPFEDSA-N 1 2 362.386 2.552 20 5 FFBDLO O=C(N1CCC(c2c[nH+]c[nH]2)CC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000374878346 513051777 /nfs/dbraw/zinc/05/17/77/513051777.db2.gz PRBZMBBEQSHPOR-UHFFFAOYSA-N 1 2 350.325 2.816 20 5 FFBDLO O=C(N1CCC(c2c[nH]c[nH+]2)CC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000374878346 513051782 /nfs/dbraw/zinc/05/17/82/513051782.db2.gz PRBZMBBEQSHPOR-UHFFFAOYSA-N 1 2 350.325 2.816 20 5 FFBDLO CC(C)[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCO1 ZINC000450395455 513175490 /nfs/dbraw/zinc/17/54/90/513175490.db2.gz ZPURJTARBRHPNE-WMLDXEAASA-N 1 2 358.398 2.714 20 5 FFBDLO O=C(NCCC[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450620019 513274717 /nfs/dbraw/zinc/27/47/17/513274717.db2.gz YCAFLWAREFMCEN-HNNXBMFYSA-N 1 2 358.398 2.860 20 5 FFBDLO O=C(C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)NCCc1ccc(Cl)cc1 ZINC000446738604 513328004 /nfs/dbraw/zinc/32/80/04/513328004.db2.gz JZCXLMPAWIHLOT-UHFFFAOYSA-N 1 2 373.840 2.965 20 5 FFBDLO O=C(C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)NCCc1ccc(Cl)cc1 ZINC000446738604 513328011 /nfs/dbraw/zinc/32/80/11/513328011.db2.gz JZCXLMPAWIHLOT-UHFFFAOYSA-N 1 2 373.840 2.965 20 5 FFBDLO CCOc1cc(N2CC[NH+](Cc3cncn3CC)CC2)ccc1[N+](=O)[O-] ZINC000418033497 513343629 /nfs/dbraw/zinc/34/36/29/513343629.db2.gz RKXJGNQUKXSHMN-UHFFFAOYSA-N 1 2 359.430 2.532 20 5 FFBDLO CCOc1cc(N2CCN(Cc3c[nH+]cn3CC)CC2)ccc1[N+](=O)[O-] ZINC000418033497 513343636 /nfs/dbraw/zinc/34/36/36/513343636.db2.gz RKXJGNQUKXSHMN-UHFFFAOYSA-N 1 2 359.430 2.532 20 5 FFBDLO Cc1ccn(C2CC[NH+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])CC2)n1 ZINC000434508136 513345462 /nfs/dbraw/zinc/34/54/62/513345462.db2.gz ALMDHQCALFEUMX-UHFFFAOYSA-N 1 2 357.414 2.684 20 5 FFBDLO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@H]1CCn2cc[nH+]c2C1 ZINC000429376269 513356321 /nfs/dbraw/zinc/35/63/21/513356321.db2.gz FQKVXLOVDJCPRZ-VIFPVBQESA-N 1 2 367.312 2.529 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000421745615 513400919 /nfs/dbraw/zinc/40/09/19/513400919.db2.gz WULLMNVOOQTGDX-UHFFFAOYSA-N 1 2 354.410 2.565 20 5 FFBDLO CC1(C)CCC[C@@](O)(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450998132 513447569 /nfs/dbraw/zinc/44/75/69/513447569.db2.gz JWNFYGCRQSMIQL-IBGZPJMESA-N 1 2 372.425 2.842 20 5 FFBDLO Cc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)cc(C)[nH+]1 ZINC000421922710 513477644 /nfs/dbraw/zinc/47/76/44/513477644.db2.gz RGTKOYHVUVRWBL-UHFFFAOYSA-N 1 2 361.423 2.621 20 5 FFBDLO CCN1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C[C@@H]1c1[nH]cc[nH+]1 ZINC000413262193 513555614 /nfs/dbraw/zinc/55/56/14/513555614.db2.gz GTOBFURGDCQZMM-MRXNPFEDSA-N 1 2 352.398 2.749 20 5 FFBDLO NC(=O)c1cccc(C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C2CC2)c1 ZINC000451207247 513589213 /nfs/dbraw/zinc/58/92/13/513589213.db2.gz JRQUYCPWNPFMNW-UHFFFAOYSA-N 1 2 365.393 2.735 20 5 FFBDLO NC(=O)c1cccc(C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C2CC2)c1 ZINC000451207247 513589219 /nfs/dbraw/zinc/58/92/19/513589219.db2.gz JRQUYCPWNPFMNW-UHFFFAOYSA-N 1 2 365.393 2.735 20 5 FFBDLO CCNC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000425539469 513628036 /nfs/dbraw/zinc/62/80/36/513628036.db2.gz MRULFWNEYRRMLF-LJQANCHMSA-N 1 2 353.422 2.966 20 5 FFBDLO CCNC(=O)[C@H]1Cc2ccccc2C[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000425539469 513628038 /nfs/dbraw/zinc/62/80/38/513628038.db2.gz MRULFWNEYRRMLF-LJQANCHMSA-N 1 2 353.422 2.966 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451264699 513636793 /nfs/dbraw/zinc/63/67/93/513636793.db2.gz NEXAWADECYMDFW-MJGOQNOKSA-N 1 2 360.385 2.903 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451264699 513636795 /nfs/dbraw/zinc/63/67/95/513636795.db2.gz NEXAWADECYMDFW-MJGOQNOKSA-N 1 2 360.385 2.903 20 5 FFBDLO CO[C@@H]1C[C@@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C12CCC2 ZINC000413431596 513654087 /nfs/dbraw/zinc/65/40/87/513654087.db2.gz AMYPPEWBZFRBQH-QZTJIDSGSA-N 1 2 361.442 2.797 20 5 FFBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cccc([N+](=O)[O-])c1NC ZINC000430502882 513668942 /nfs/dbraw/zinc/66/89/42/513668942.db2.gz VWUVFBRZDFUNDI-UHFFFAOYSA-N 1 2 359.430 2.948 20 5 FFBDLO O=[N+]([O-])c1cc(Br)ccc1OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418910856 513687790 /nfs/dbraw/zinc/68/77/90/513687790.db2.gz UZEJPJQSRONUNS-TXEJJXNPSA-N 1 2 357.204 2.599 20 5 FFBDLO O=[N+]([O-])c1cc(Br)ccc1OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418910856 513687792 /nfs/dbraw/zinc/68/77/92/513687792.db2.gz UZEJPJQSRONUNS-TXEJJXNPSA-N 1 2 357.204 2.599 20 5 FFBDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@@H](C)O2 ZINC000448360853 513742647 /nfs/dbraw/zinc/74/26/47/513742647.db2.gz UVXOYBSRHQORFI-BWACUDIHSA-N 1 2 372.368 2.965 20 5 FFBDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@@H](C)O2 ZINC000448360853 513742650 /nfs/dbraw/zinc/74/26/50/513742650.db2.gz UVXOYBSRHQORFI-BWACUDIHSA-N 1 2 372.368 2.965 20 5 FFBDLO Cc1cc(S(=O)(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c(C)cc1[N+](=O)[O-] ZINC000416422815 513765856 /nfs/dbraw/zinc/76/58/56/513765856.db2.gz OXJOKAVURJUKCS-ZDUSSCGKSA-N 1 2 364.427 2.851 20 5 FFBDLO O=C(N[C@@H]1CCC[C@H]1OC(F)F)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451506707 513795638 /nfs/dbraw/zinc/79/56/38/513795638.db2.gz UTDJXMSWCMBQFD-BXUZGUMPSA-N 1 2 366.324 2.671 20 5 FFBDLO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H](CO)c1ccccc1 ZINC000436248335 513806139 /nfs/dbraw/zinc/80/61/39/513806139.db2.gz AXTDDILYZYNDOS-MRXNPFEDSA-N 1 2 354.366 2.810 20 5 FFBDLO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H](CO)c1ccccc1 ZINC000436248335 513806145 /nfs/dbraw/zinc/80/61/45/513806145.db2.gz AXTDDILYZYNDOS-MRXNPFEDSA-N 1 2 354.366 2.810 20 5 FFBDLO CN(C(=O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)c1nccs1 ZINC000451549646 513826739 /nfs/dbraw/zinc/82/67/39/513826739.db2.gz PVAKYSXCLSMCBV-CQSZACIVSA-N 1 2 360.439 2.894 20 5 FFBDLO CN(C(=O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)c1nccs1 ZINC000451549646 513826749 /nfs/dbraw/zinc/82/67/49/513826749.db2.gz PVAKYSXCLSMCBV-CQSZACIVSA-N 1 2 360.439 2.894 20 5 FFBDLO O=C(N[C@H](C1CC1)C(F)(F)F)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451787639 513980628 /nfs/dbraw/zinc/98/06/28/513980628.db2.gz NAFMUEAHUMDZHD-CYBMUJFWSA-N 1 2 354.288 2.851 20 5 FFBDLO Cc1nc(N2CCN(c3ccnc4c3cccc4[N+](=O)[O-])CC2)cc[nH+]1 ZINC000432152029 514109913 /nfs/dbraw/zinc/10/99/13/514109913.db2.gz UUCXIUCMOWLXMW-UHFFFAOYSA-N 1 2 350.382 2.568 20 5 FFBDLO Cc1cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n(-c2cc[nH+]cc2)n1 ZINC000437312513 514136643 /nfs/dbraw/zinc/13/66/43/514136643.db2.gz ZRNPKXLYFCITJI-UHFFFAOYSA-N 1 2 373.394 2.593 20 5 FFBDLO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000452021965 514140700 /nfs/dbraw/zinc/14/07/00/514140700.db2.gz UFPMQPJJJUAOIE-GFCCVEGCSA-N 1 2 374.363 2.849 20 5 FFBDLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000452021965 514140708 /nfs/dbraw/zinc/14/07/08/514140708.db2.gz UFPMQPJJJUAOIE-GFCCVEGCSA-N 1 2 374.363 2.849 20 5 FFBDLO NC(=O)c1cccc([N+](=O)[O-])c1N1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000420584556 514192210 /nfs/dbraw/zinc/19/22/10/514192210.db2.gz LBSVOKNCEJEPIU-UHFFFAOYSA-N 1 2 365.393 2.954 20 5 FFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000449553520 514251173 /nfs/dbraw/zinc/25/11/73/514251173.db2.gz MVNMTINHXCYQLD-SPQRHKFCSA-N 1 2 364.467 2.899 20 5 FFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000449553520 514251178 /nfs/dbraw/zinc/25/11/78/514251178.db2.gz MVNMTINHXCYQLD-SPQRHKFCSA-N 1 2 364.467 2.899 20 5 FFBDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000432768021 514280135 /nfs/dbraw/zinc/28/01/35/514280135.db2.gz WDSODHRODOZCTD-UHFFFAOYSA-N 1 2 350.378 2.838 20 5 FFBDLO C[C@H](C[NH+]1CCOCC1)N(C)c1ccc(Br)cc1[N+](=O)[O-] ZINC000432925260 514323884 /nfs/dbraw/zinc/32/38/84/514323884.db2.gz BEDPUXYWZQMXJN-LLVKDONJSA-N 1 2 358.236 2.514 20 5 FFBDLO COC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]CCNc1ccc([N+](=O)[O-])cc1 ZINC000438300671 514349359 /nfs/dbraw/zinc/34/93/59/514349359.db2.gz DXUHRNYXCMZRQX-KRWDZBQOSA-N 1 2 361.373 2.520 20 5 FFBDLO COc1cc(C(=O)NCc2[nH+]ccn2CC(C)C)c([N+](=O)[O-])cc1F ZINC000449935738 514430516 /nfs/dbraw/zinc/43/05/16/514430516.db2.gz SZEHBFZFJVXJKJ-UHFFFAOYSA-N 1 2 350.350 2.525 20 5 FFBDLO O=C(CCC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000450117764 514502235 /nfs/dbraw/zinc/50/22/35/514502235.db2.gz UKEUYABMGCHSMT-KRWDZBQOSA-N 1 2 369.377 2.633 20 5 FFBDLO C[C@H]1CCCN(c2ccc(C(=O)N3CCn4c[nH+]cc4C3)cc2[N+](=O)[O-])C1 ZINC000461197758 514536742 /nfs/dbraw/zinc/53/67/42/514536742.db2.gz PVUCYHDEHXFYNG-AWEZNQCLSA-N 1 2 369.425 2.684 20 5 FFBDLO CCOC[C@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000458084448 514560947 /nfs/dbraw/zinc/56/09/47/514560947.db2.gz VCIHVVRTZQUQOP-OAHLLOKOSA-N 1 2 358.398 2.812 20 5 FFBDLO O=C(C[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000488972686 514657733 /nfs/dbraw/zinc/65/77/33/514657733.db2.gz DVSCDGSSIGLMPJ-CYBMUJFWSA-N 1 2 374.372 2.611 20 5 FFBDLO O=C(C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000488972686 514657739 /nfs/dbraw/zinc/65/77/39/514657739.db2.gz DVSCDGSSIGLMPJ-CYBMUJFWSA-N 1 2 374.372 2.611 20 5 FFBDLO COC(=O)COc1ccc(C[N@H+]2CC=C(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000475695954 514766486 /nfs/dbraw/zinc/76/64/86/514766486.db2.gz BLKRHDPPQQEXGR-UHFFFAOYSA-N 1 2 374.315 2.841 20 5 FFBDLO COC(=O)COc1ccc(C[N@@H+]2CC=C(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000475695954 514766494 /nfs/dbraw/zinc/76/64/94/514766494.db2.gz BLKRHDPPQQEXGR-UHFFFAOYSA-N 1 2 374.315 2.841 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)CCOc1ccc(Br)cc1 ZINC000475745172 514791723 /nfs/dbraw/zinc/79/17/23/514791723.db2.gz GCUHZBILSNMZAY-UHFFFAOYSA-N 1 2 369.219 2.602 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000475745172 514791732 /nfs/dbraw/zinc/79/17/32/514791732.db2.gz GCUHZBILSNMZAY-UHFFFAOYSA-N 1 2 369.219 2.602 20 5 FFBDLO COC(=O)C(C)(C)[NH+]1CCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])CC1 ZINC000489906482 515025213 /nfs/dbraw/zinc/02/52/13/515025213.db2.gz HOKLQEQHFMDTFO-UHFFFAOYSA-N 1 2 372.425 2.525 20 5 FFBDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)C2 ZINC000476472835 515063451 /nfs/dbraw/zinc/06/34/51/515063451.db2.gz SJDALBAQDGJCRZ-CQSZACIVSA-N 1 2 356.426 2.905 20 5 FFBDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)CC2 ZINC000476472835 515063462 /nfs/dbraw/zinc/06/34/62/515063462.db2.gz SJDALBAQDGJCRZ-CQSZACIVSA-N 1 2 356.426 2.905 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cnnn1Cc1ccccc1 ZINC000490863856 515319627 /nfs/dbraw/zinc/31/96/27/515319627.db2.gz HTADEHQRPZBJMH-UHFFFAOYSA-N 1 2 353.382 2.533 20 5 FFBDLO COc1ccc(CNC(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000454311140 515388885 /nfs/dbraw/zinc/38/88/85/515388885.db2.gz WZHDAMKZOFAMCE-OAHLLOKOSA-N 1 2 373.413 2.630 20 5 FFBDLO CN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000492517133 515540891 /nfs/dbraw/zinc/54/08/91/515540891.db2.gz WJOQNTPCNWOCNV-GOSISDBHSA-N 1 2 366.377 2.945 20 5 FFBDLO CCc1ccc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC[NH2+]2)cc1 ZINC000505484950 515549935 /nfs/dbraw/zinc/54/99/35/515549935.db2.gz WNUZYEVYHXMZKG-INIZCTEOSA-N 1 2 355.394 2.650 20 5 FFBDLO CCOc1cc(C[N@H+](C)CC(=O)NCc2ccccc2)ccc1[N+](=O)[O-] ZINC000492740119 515560449 /nfs/dbraw/zinc/56/04/49/515560449.db2.gz BPOVMMKJWHHLEG-UHFFFAOYSA-N 1 2 357.410 2.742 20 5 FFBDLO CCOc1cc(C[N@@H+](C)CC(=O)NCc2ccccc2)ccc1[N+](=O)[O-] ZINC000492740119 515560455 /nfs/dbraw/zinc/56/04/55/515560455.db2.gz BPOVMMKJWHHLEG-UHFFFAOYSA-N 1 2 357.410 2.742 20 5 FFBDLO COc1c(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)cccc1[N+](=O)[O-] ZINC000505564546 515588738 /nfs/dbraw/zinc/58/87/38/515588738.db2.gz FKBCWELWLRLAET-HNNXBMFYSA-N 1 2 359.357 2.529 20 5 FFBDLO CC[C@@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000493365546 515625342 /nfs/dbraw/zinc/62/53/42/515625342.db2.gz QUNSEXUJHGFBHA-CXAGYDPISA-N 1 2 353.850 2.791 20 5 FFBDLO C[C@H](NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000469223161 515729432 /nfs/dbraw/zinc/72/94/32/515729432.db2.gz FNDOKBXDGOBFBV-GUYCJALGSA-N 1 2 356.382 2.914 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000506034933 515758545 /nfs/dbraw/zinc/75/85/45/515758545.db2.gz BXWINOYKZHUQDO-UHFFFAOYSA-N 1 2 359.430 2.870 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000506034933 515758557 /nfs/dbraw/zinc/75/85/57/515758557.db2.gz BXWINOYKZHUQDO-UHFFFAOYSA-N 1 2 359.430 2.870 20 5 FFBDLO CCOC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-] ZINC000459722651 515769746 /nfs/dbraw/zinc/76/97/46/515769746.db2.gz UXPKQTMQMGLLOA-AWEZNQCLSA-N 1 2 365.430 2.823 20 5 FFBDLO CCOC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-] ZINC000459722651 515769752 /nfs/dbraw/zinc/76/97/52/515769752.db2.gz UXPKQTMQMGLLOA-AWEZNQCLSA-N 1 2 365.430 2.823 20 5 FFBDLO C[C@@H](c1nnnn1C1CCCCC1)[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000469766612 515955802 /nfs/dbraw/zinc/95/58/02/515955802.db2.gz WLWCXMXHJVYOTF-LBPRGKRZSA-N 1 2 357.418 2.601 20 5 FFBDLO C[C@@H](c1nnnn1C1CCCCC1)[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000469766612 515955808 /nfs/dbraw/zinc/95/58/08/515955808.db2.gz WLWCXMXHJVYOTF-LBPRGKRZSA-N 1 2 357.418 2.601 20 5 FFBDLO Cc1[nH]c2ccc(NC(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)cc2[nH+]1 ZINC000465026841 516046450 /nfs/dbraw/zinc/04/64/50/516046450.db2.gz MNSHIIHAXPZOOZ-UHFFFAOYSA-N 1 2 368.349 2.732 20 5 FFBDLO COc1cc(C(=O)NCc2cn3cc(C)ccc3[nH+]2)cc([N+](=O)[O-])c1C ZINC000460335924 516120545 /nfs/dbraw/zinc/12/05/45/516120545.db2.gz QWGQEMNJYBUMAA-UHFFFAOYSA-N 1 2 354.366 2.798 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000561123743 516393437 /nfs/dbraw/zinc/39/34/37/516393437.db2.gz YOEYMVYVEMKNDH-QGZVFWFLSA-N 1 2 357.414 2.788 20 5 FFBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCc1cn2ccccc2[nH+]1 ZINC000561141410 516404155 /nfs/dbraw/zinc/40/41/55/516404155.db2.gz CYTOXLBRDXYABM-UHFFFAOYSA-N 1 2 354.366 2.992 20 5 FFBDLO O=C(NCC1(C(F)(F)F)CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000561287239 516502685 /nfs/dbraw/zinc/50/26/85/516502685.db2.gz VACLSAWKZMNWPV-UHFFFAOYSA-N 1 2 354.288 2.853 20 5 FFBDLO CC(C)c1[nH+]c2c(n1C)CCN(Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 ZINC000547853264 516600405 /nfs/dbraw/zinc/60/04/05/516600405.db2.gz GKKOMTBPRUNKTG-UHFFFAOYSA-N 1 2 354.414 2.886 20 5 FFBDLO CCc1cc(NCCC(=O)NC(C)(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000524122839 516647946 /nfs/dbraw/zinc/64/79/46/516647946.db2.gz VFBWMFFQUMTNCR-UHFFFAOYSA-N 1 2 371.441 2.753 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]CCOCC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000513718583 516730120 /nfs/dbraw/zinc/73/01/20/516730120.db2.gz ZSRNVFZXQVDZPW-CYBMUJFWSA-N 1 2 358.320 2.586 20 5 FFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513989973 516823288 /nfs/dbraw/zinc/82/32/88/516823288.db2.gz QRGAUGVSAOYLRY-KRWDZBQOSA-N 1 2 359.813 2.964 20 5 FFBDLO Cc1n[nH]cc1C1CC[NH+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000551722909 516840594 /nfs/dbraw/zinc/84/05/94/516840594.db2.gz SNODIFMEQKLZJE-UHFFFAOYSA-N 1 2 357.414 2.753 20 5 FFBDLO C[C@@H]1C[C@@H](NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c2[nH+]ccn21 ZINC000514713835 517017578 /nfs/dbraw/zinc/01/75/78/517017578.db2.gz HHPRZRCYEJBDBY-BDJLRTHQSA-N 1 2 368.397 2.820 20 5 FFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000559149876 517101602 /nfs/dbraw/zinc/10/16/02/517101602.db2.gz NZZMQYNEXLSIBG-AWEZNQCLSA-N 1 2 367.199 2.886 20 5 FFBDLO CCc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc2[nH+]1 ZINC000562577916 517206281 /nfs/dbraw/zinc/20/62/81/517206281.db2.gz SXJPBIWHQSCFIP-UHFFFAOYSA-N 1 2 357.391 2.928 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCc3ccc(O)cc3C2)c([N+](=O)[O-])c1 ZINC000533072716 517279612 /nfs/dbraw/zinc/27/96/12/517279612.db2.gz COBZRSMFDCTJJB-LBPRGKRZSA-N 1 2 371.393 2.694 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCc3ccc(O)cc3C2)c([N+](=O)[O-])c1 ZINC000533072716 517279626 /nfs/dbraw/zinc/27/96/26/517279626.db2.gz COBZRSMFDCTJJB-LBPRGKRZSA-N 1 2 371.393 2.694 20 5 FFBDLO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000541927561 517294469 /nfs/dbraw/zinc/29/44/69/517294469.db2.gz DMCYEXUJMHTMAN-LBPRGKRZSA-N 1 2 366.324 2.698 20 5 FFBDLO CC(C)C[C@H](C)[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000552560030 517306589 /nfs/dbraw/zinc/30/65/89/517306589.db2.gz CYWCUISNPSSIJW-AWEZNQCLSA-N 1 2 369.487 2.555 20 5 FFBDLO CC(C)CN(C(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)C(C)C ZINC000533242468 517361697 /nfs/dbraw/zinc/36/16/97/517361697.db2.gz GGCDTFIIXBDWRW-UHFFFAOYSA-N 1 2 362.474 2.610 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc([C@@H]3C[N@@H+](C4CC4)CCO3)no2)c(Cl)c1 ZINC000545792824 517368508 /nfs/dbraw/zinc/36/85/08/517368508.db2.gz LRIADMKLUTTWMZ-ZDUSSCGKSA-N 1 2 350.762 2.834 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc([C@@H]3C[N@H+](C4CC4)CCO3)no2)c(Cl)c1 ZINC000545792824 517368515 /nfs/dbraw/zinc/36/85/15/517368515.db2.gz LRIADMKLUTTWMZ-ZDUSSCGKSA-N 1 2 350.762 2.834 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccc(Cl)cc1 ZINC000515780115 517473232 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ZINC000611209251 521037181 /nfs/dbraw/zinc/03/71/81/521037181.db2.gz SVLCAEXADMHFMD-UHFFFAOYSA-N 1 2 364.789 2.722 20 5 FFBDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000611209251 521037189 /nfs/dbraw/zinc/03/71/89/521037189.db2.gz SVLCAEXADMHFMD-UHFFFAOYSA-N 1 2 364.789 2.722 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCC(c2ccon2)CC1 ZINC000596527917 521117270 /nfs/dbraw/zinc/11/72/70/521117270.db2.gz GZBXTHNSUOCHRT-UHFFFAOYSA-N 1 2 372.425 2.799 20 5 FFBDLO CC1CCC(O)(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000596570378 521137816 /nfs/dbraw/zinc/13/78/16/521137816.db2.gz JDYGGUFLAPVFQY-UHFFFAOYSA-N 1 2 363.458 2.780 20 5 FFBDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](C)O1 ZINC000593677740 521148970 /nfs/dbraw/zinc/14/89/70/521148970.db2.gz FRANDNBAOASXBZ-SJCJKPOMSA-N 1 2 360.366 2.617 20 5 FFBDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](C)O1 ZINC000593677740 521148976 /nfs/dbraw/zinc/14/89/76/521148976.db2.gz FRANDNBAOASXBZ-SJCJKPOMSA-N 1 2 360.366 2.617 20 5 FFBDLO Cc1c(CNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000602148626 521173042 /nfs/dbraw/zinc/17/30/42/521173042.db2.gz OOJXPKXGRIDFKP-ZDUSSCGKSA-N 1 2 356.304 2.910 20 5 FFBDLO C[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1[nH+]ccn1C ZINC000596693315 521226062 /nfs/dbraw/zinc/22/60/62/521226062.db2.gz DRSPOLQNEPGTOX-MRVPVSSYSA-N 1 2 355.301 2.812 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](OC(F)F)C2)c([N+](=O)[O-])c1 ZINC000611578777 521233251 /nfs/dbraw/zinc/23/32/51/521233251.db2.gz SAQCSHUDVAALKH-CMPLNLGQSA-N 1 2 373.356 2.634 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](OC(F)F)C2)c([N+](=O)[O-])c1 ZINC000611578777 521233257 /nfs/dbraw/zinc/23/32/57/521233257.db2.gz SAQCSHUDVAALKH-CMPLNLGQSA-N 1 2 373.356 2.634 20 5 FFBDLO O=[N+]([O-])c1ccc2ncnc(NCc3cc[nH+]c(N4CCCC4)c3)c2c1 ZINC000611700534 521287166 /nfs/dbraw/zinc/28/71/66/521287166.db2.gz AJKKGOCLHMDVMY-UHFFFAOYSA-N 1 2 350.382 2.567 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCc4nc(C5CC5)ncc4C3)nc2c1 ZINC000599620664 521337207 /nfs/dbraw/zinc/33/72/07/521337207.db2.gz YQZXVYWJIWJRCE-UHFFFAOYSA-N 1 2 350.382 2.697 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCc4nc(C5CC5)ncc4C3)nc2c1 ZINC000599620664 521337214 /nfs/dbraw/zinc/33/72/14/521337214.db2.gz YQZXVYWJIWJRCE-UHFFFAOYSA-N 1 2 350.382 2.697 20 5 FFBDLO COc1ccc(C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])CC2CC2)c(OC)c1 ZINC000602659710 521464645 /nfs/dbraw/zinc/46/46/45/521464645.db2.gz VPCMJOCDHCNAKC-UHFFFAOYSA-N 1 2 360.414 2.758 20 5 FFBDLO COc1ccc(C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])CC2CC2)c(OC)c1 ZINC000602659710 521464653 /nfs/dbraw/zinc/46/46/53/521464653.db2.gz VPCMJOCDHCNAKC-UHFFFAOYSA-N 1 2 360.414 2.758 20 5 FFBDLO COC(=O)[C@@](C)(NCCCc1ccc(C)[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000602736457 521504112 /nfs/dbraw/zinc/50/41/12/521504112.db2.gz MWZGBIYNYWUWMP-IBGZPJMESA-N 1 2 357.410 2.909 20 5 FFBDLO Nc1cccc([N+](=O)[O-])c1C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000611528465 554642339 /nfs/dbraw/zinc/64/23/39/554642339.db2.gz ZCXBDQNQXYJUND-UHFFFAOYSA-N 1 2 351.366 2.567 20 5 FFBDLO O=C(N=c1cc([C@@H]2CCCO2)[nH][nH]1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000473847247 561059006 /nfs/dbraw/zinc/05/90/06/561059006.db2.gz CTGPRCWDTGHDJR-HNNXBMFYSA-N 1 2 368.353 2.607 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)ccc1Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000471537474 685137901 /nfs/dbraw/zinc/13/79/01/685137901.db2.gz FYDAXYYJOBIVSU-UHFFFAOYSA-N 1 2 351.794 2.521 20 5 FFBDLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000898097840 735313354 /nfs/dbraw/zinc/31/33/54/735313354.db2.gz QCVGRTYUNFZTAW-SSDOTTSWSA-N 1 2 373.171 2.982 20 5 FFBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898500440 735371219 /nfs/dbraw/zinc/37/12/19/735371219.db2.gz XDDPCSXXMPNQGF-HZPDHXFCSA-N 1 2 351.422 2.714 20 5 FFBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898500440 735371222 /nfs/dbraw/zinc/37/12/22/735371222.db2.gz XDDPCSXXMPNQGF-HZPDHXFCSA-N 1 2 351.422 2.714 20 5 FFBDLO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000176126530 729110042 /nfs/dbraw/zinc/11/00/42/729110042.db2.gz UWZFAINOMGRLCX-RUZDIDTESA-N 1 2 358.423 2.771 20 5 FFBDLO C[N@H+](Cc1ccc([S@@](C)=O)cc1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000176126530 729110043 /nfs/dbraw/zinc/11/00/43/729110043.db2.gz UWZFAINOMGRLCX-RUZDIDTESA-N 1 2 358.423 2.771 20 5 FFBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CCS(=O)(=O)C1CCCCC1 ZINC000856741339 730353121 /nfs/dbraw/zinc/35/31/21/730353121.db2.gz LAJAHEVRWBJQNI-UHFFFAOYSA-N 1 2 354.472 2.817 20 5 FFBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CCS(=O)(=O)C1CCCCC1 ZINC000856741339 730353122 /nfs/dbraw/zinc/35/31/22/730353122.db2.gz LAJAHEVRWBJQNI-UHFFFAOYSA-N 1 2 354.472 2.817 20 5 FFBDLO CC(C)(C)OC(=O)[C@@]1(C)CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000859381444 730452823 /nfs/dbraw/zinc/45/28/23/730452823.db2.gz PSJOWRFUWQCWDW-MAUKXSAKSA-N 1 2 350.415 2.824 20 5 FFBDLO CC(C)(C)OC(=O)[C@@]1(C)CCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000859381444 730452825 /nfs/dbraw/zinc/45/28/25/730452825.db2.gz PSJOWRFUWQCWDW-MAUKXSAKSA-N 1 2 350.415 2.824 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]C[C@H](O)c1ccsc1)c1ccc([N+](=O)[O-])cc1 ZINC000780763896 738574706 /nfs/dbraw/zinc/57/47/06/738574706.db2.gz GPJASEQLNCHCIR-HOTGVXAUSA-N 1 2 358.423 2.802 20 5 FFBDLO Cn1nnnc1C1CC[NH+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000877781017 732429374 /nfs/dbraw/zinc/42/93/74/732429374.db2.gz NOALYURMLVEHLT-UHFFFAOYSA-N 1 2 371.228 2.805 20 5 FFBDLO C[C@H](C(=O)NCc1nc(C[NH+](C)C)cs1)c1ccc([N+](=O)[O-])cc1F ZINC000927768395 738780923 /nfs/dbraw/zinc/78/09/23/738780923.db2.gz KTFVDILCAMGFJP-JTQLQIEISA-N 1 2 366.418 2.672 20 5 FFBDLO O=C(C[NH+]1CCC(n2cccn2)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000731355351 734675508 /nfs/dbraw/zinc/67/55/08/734675508.db2.gz XCBHOIMLKBNVDC-UHFFFAOYSA-N 1 2 363.805 2.720 20 5 FFBDLO O=[N+]([O-])c1sc(C[N@@H+]2CC[C@H](C3OCCO3)C2)cc1Br ZINC000896377689 735148660 /nfs/dbraw/zinc/14/86/60/735148660.db2.gz KLHUJIFOFMHNLJ-QMMMGPOBSA-N 1 2 363.233 2.614 20 5 FFBDLO O=[N+]([O-])c1sc(C[N@H+]2CC[C@H](C3OCCO3)C2)cc1Br ZINC000896377689 735148661 /nfs/dbraw/zinc/14/86/61/735148661.db2.gz KLHUJIFOFMHNLJ-QMMMGPOBSA-N 1 2 363.233 2.614 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cn(C)nc1Br ZINC000903188492 736051622 /nfs/dbraw/zinc/05/16/22/736051622.db2.gz RRFAVHPCNUWRRK-VIFPVBQESA-N 1 2 369.219 2.950 20 5 FFBDLO C[C@H](C(=O)N1CCC([N@H+](C)CC(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000761965681 736777608 /nfs/dbraw/zinc/77/76/08/736777608.db2.gz PAKFPQFGPXBXSD-LBPRGKRZSA-N 1 2 355.385 2.886 20 5 FFBDLO C[C@H](C(=O)N1CCC([N@@H+](C)CC(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000761965681 736777611 /nfs/dbraw/zinc/77/76/11/736777611.db2.gz PAKFPQFGPXBXSD-LBPRGKRZSA-N 1 2 355.385 2.886 20 5 FFBDLO O=[N+]([O-])c1cc2cnn(C[NH+]3CCC(C4OCCO4)CC3)c2c(Cl)c1 ZINC000774634832 738007842 /nfs/dbraw/zinc/00/78/42/738007842.db2.gz FBSPMDXOIDXGER-UHFFFAOYSA-N 1 2 366.805 2.640 20 5 FFBDLO Cc1ccc(N[C@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])c1Br ZINC000787897522 739185654 /nfs/dbraw/zinc/18/56/54/739185654.db2.gz MUMAINZFOSQNNK-LLVKDONJSA-N 1 2 358.236 2.798 20 5 FFBDLO COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000792088109 739636998 /nfs/dbraw/zinc/63/69/98/739636998.db2.gz JCUIIMLMWPKYDQ-UHFFFAOYSA-N 1 2 363.395 2.668 20 5 FFBDLO CCOc1cc(C[N@@H+]2CCOC[C@H]2C[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000933664983 739669242 /nfs/dbraw/zinc/66/92/42/739669242.db2.gz HYVLACBPDQMTHD-HZPDHXFCSA-N 1 2 350.415 2.621 20 5 FFBDLO CCOc1cc(C[N@H+]2CCOC[C@H]2C[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000933664983 739669244 /nfs/dbraw/zinc/66/92/44/739669244.db2.gz HYVLACBPDQMTHD-HZPDHXFCSA-N 1 2 350.415 2.621 20 5 FFBDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000798227767 740314811 /nfs/dbraw/zinc/31/48/11/740314811.db2.gz XRXZKGHLFCTPCF-UHFFFAOYSA-N 1 2 359.766 2.998 20 5 FFBDLO O=C(O[C@@H]1CC[N@H+](CCF)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000802244704 740689717 /nfs/dbraw/zinc/68/97/17/740689717.db2.gz SARNNAKXGJRGPV-CYBMUJFWSA-N 1 2 365.386 2.919 20 5 FFBDLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000802244704 740689721 /nfs/dbraw/zinc/68/97/21/740689721.db2.gz SARNNAKXGJRGPV-CYBMUJFWSA-N 1 2 365.386 2.919 20 5 FFBDLO C[N@H+](CCn1cc(Br)cn1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000808801837 741262348 /nfs/dbraw/zinc/26/23/48/741262348.db2.gz CFEUEWIMIDYVER-UHFFFAOYSA-N 1 2 357.183 2.825 20 5 FFBDLO C[N@@H+](CCn1cc(Br)cn1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000808801837 741262356 /nfs/dbraw/zinc/26/23/56/741262356.db2.gz CFEUEWIMIDYVER-UHFFFAOYSA-N 1 2 357.183 2.825 20 5 FFBDLO Cc1cc(CNS(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc(C)[nH+]1 ZINC000817141976 742094056 /nfs/dbraw/zinc/09/40/56/742094056.db2.gz NQEDZFYOYBUMAV-UHFFFAOYSA-N 1 2 353.375 2.533 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000824615231 743117121 /nfs/dbraw/zinc/11/71/21/743117121.db2.gz CJPYCKPRSRMZNW-OAHLLOKOSA-N 1 2 351.403 2.656 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000824615231 743117125 /nfs/dbraw/zinc/11/71/25/743117125.db2.gz CJPYCKPRSRMZNW-OAHLLOKOSA-N 1 2 351.403 2.656 20 5 FFBDLO CC[NH+](CC)Cc1csc(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000825390082 743261518 /nfs/dbraw/zinc/26/15/18/743261518.db2.gz YXIISNRGPXUJOV-AWEZNQCLSA-N 1 2 364.427 2.565 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1F ZINC000825737808 743320996 /nfs/dbraw/zinc/32/09/96/743320996.db2.gz FRYHLGURCRAGOV-SNVBAGLBSA-N 1 2 350.325 2.924 20 5 FFBDLO C[NH+](C)Cc1csc(CNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])n1 ZINC000829975150 745287805 /nfs/dbraw/zinc/28/78/05/745287805.db2.gz BDUSEMPJUXLZKX-UHFFFAOYSA-N 1 2 366.418 2.501 20 5 FFBDLO O=C(C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839595947 746867130 /nfs/dbraw/zinc/86/71/30/746867130.db2.gz PFLKVSNKTIUXMU-HUUCEWRRSA-N 1 2 353.806 2.830 20 5 FFBDLO O=C(C[N@H+]1CCC[C@@H]1[C@H]1CCCO1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839595947 746867140 /nfs/dbraw/zinc/86/71/40/746867140.db2.gz PFLKVSNKTIUXMU-HUUCEWRRSA-N 1 2 353.806 2.830 20 5 FFBDLO CC(C)(C)OC(=O)NCC1(O)CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000841894692 747483318 /nfs/dbraw/zinc/48/33/18/747483318.db2.gz CLGJKRIWKKZLTF-UHFFFAOYSA-N 1 2 371.459 2.508 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c([N+](=O)[O-])c1 ZINC000844439587 748030630 /nfs/dbraw/zinc/03/06/30/748030630.db2.gz OVZZOQQLRXDOOC-OAHLLOKOSA-N 1 2 355.341 2.663 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@@]3(CC3(F)F)C2)c([N+](=O)[O-])c1 ZINC000844439587 748030639 /nfs/dbraw/zinc/03/06/39/748030639.db2.gz OVZZOQQLRXDOOC-OAHLLOKOSA-N 1 2 355.341 2.663 20 5 FFBDLO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CCc2ccsc2C1 ZINC000848482949 748937910 /nfs/dbraw/zinc/93/79/10/748937910.db2.gz WFGISMBIYINXOF-INIZCTEOSA-N 1 2 357.435 2.988 20 5 FFBDLO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@H+]1CCc2ccsc2C1 ZINC000848482949 748937913 /nfs/dbraw/zinc/93/79/13/748937913.db2.gz WFGISMBIYINXOF-INIZCTEOSA-N 1 2 357.435 2.988 20 5 FFBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](CCOC(F)F)CC1 ZINC000851723905 749652213 /nfs/dbraw/zinc/65/22/13/749652213.db2.gz ODZVGKYJYFLQEF-UHFFFAOYSA-N 1 2 369.290 2.975 20 5 FFBDLO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@H](O)c3c(F)cccc3F)CC2)c1 ZINC000051377574 966090556 /nfs/dbraw/zinc/09/05/56/966090556.db2.gz BDGPNKATCLUEFP-KRWDZBQOSA-N 1 2 363.364 2.729 20 5 FFBDLO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000728542174 967211661 /nfs/dbraw/zinc/21/16/61/967211661.db2.gz MJMJQQUAKGOEPG-INIZCTEOSA-N 1 2 369.425 2.869 20 5 FFBDLO Cc1ccc(CNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000876172435 1014157938 /nfs/dbraw/zinc/15/79/38/1014157938.db2.gz VTJAJPYKWCGLTC-RHSMWYFYSA-N 1 2 357.414 2.892 20 5 FFBDLO C[NH+](C)Cc1nc(CSCCNc2cccnc2[N+](=O)[O-])cs1 ZINC001168108412 979423375 /nfs/dbraw/zinc/42/33/75/979423375.db2.gz MJSPRHZGWLHZLY-UHFFFAOYSA-N 1 2 353.473 2.853 20 5 FFBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000026233105 980728177 /nfs/dbraw/zinc/72/81/77/980728177.db2.gz IFSBANBQHXXVLF-HNNXBMFYSA-N 1 2 365.389 2.855 20 5 FFBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000026233105 980728179 /nfs/dbraw/zinc/72/81/79/980728179.db2.gz IFSBANBQHXXVLF-HNNXBMFYSA-N 1 2 365.389 2.855 20 5 FFBDLO CCc1ccc(N2CC[NH+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)cc1 ZINC000072835902 983885309 /nfs/dbraw/zinc/88/53/09/983885309.db2.gz IUVYVPIHNVAKSK-UHFFFAOYSA-N 1 2 368.437 2.578 20 5 FFBDLO C[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1C(=O)OC(C)(C)C ZINC000154583050 990308385 /nfs/dbraw/zinc/30/83/85/990308385.db2.gz ITJMZRVHNQUKGK-CJNGLKHVSA-N 1 2 365.430 2.569 20 5 FFBDLO C[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1C(=O)OC(C)(C)C ZINC000154583050 990308389 /nfs/dbraw/zinc/30/83/89/990308389.db2.gz ITJMZRVHNQUKGK-CJNGLKHVSA-N 1 2 365.430 2.569 20 5 FFBDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc([N+](=O)[O-])ccc1F ZINC000920228574 990814507 /nfs/dbraw/zinc/81/45/07/990814507.db2.gz JWVHKRRTTRPLAP-UHFFFAOYSA-N 1 2 358.304 2.989 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000444670632 991828808 /nfs/dbraw/zinc/82/88/08/991828808.db2.gz YTFGUGVIDUOBGZ-LBPRGKRZSA-N 1 2 353.382 2.829 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CC4(CCC4)[C@H]3[C@H]3CCCO3)n2)c1 ZINC000811793520 995264239 /nfs/dbraw/zinc/26/42/39/995264239.db2.gz WERYTVPTIARYPI-IAGOWNOFSA-N 1 2 369.425 2.844 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CC4(CCC4)[C@H]3[C@H]3CCCO3)n2)c1 ZINC000811793520 995264252 /nfs/dbraw/zinc/26/42/52/995264252.db2.gz WERYTVPTIARYPI-IAGOWNOFSA-N 1 2 369.425 2.844 20 5 FFBDLO C[C@H]([C@H](OC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccccc1F)[N+](=O)[O-] ZINC000845882040 998678388 /nfs/dbraw/zinc/67/83/88/998678388.db2.gz QIDBNWCGDPOWPM-XIKOKIGWSA-N 1 2 361.373 2.851 20 5 FFBDLO C[C@H]([C@@H](OC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccccc1F)[N+](=O)[O-] ZINC000845882036 998678840 /nfs/dbraw/zinc/67/88/40/998678840.db2.gz QIDBNWCGDPOWPM-KZULUSFZSA-N 1 2 361.373 2.851 20 5 FFBDLO C[N@H+](CC(F)F)C1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)CC1 ZINC000746321989 999969200 /nfs/dbraw/zinc/96/92/00/999969200.db2.gz BPDXSHGMIBFICE-UHFFFAOYSA-N 1 2 366.368 2.878 20 5 FFBDLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)CC1 ZINC000746321989 999969201 /nfs/dbraw/zinc/96/92/01/999969201.db2.gz BPDXSHGMIBFICE-UHFFFAOYSA-N 1 2 366.368 2.878 20 5 FFBDLO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1csnn1 ZINC001146818380 1000761189 /nfs/dbraw/zinc/76/11/89/1000761189.db2.gz IWAFQVDEFHGJSU-UHFFFAOYSA-N 1 2 365.418 2.795 20 5 FFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000770665539 1000870427 /nfs/dbraw/zinc/87/04/27/1000870427.db2.gz OWAOOTUFNKWMCE-UHFFFAOYSA-N 1 2 368.393 2.810 20 5 FFBDLO COc1cc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ccn1 ZINC000785677413 1001466535 /nfs/dbraw/zinc/46/65/35/1001466535.db2.gz LZWVIPHGPWVLJX-UHFFFAOYSA-N 1 2 354.322 2.541 20 5 FFBDLO CCCCc1nc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)no1 ZINC000785676991 1001466556 /nfs/dbraw/zinc/46/65/56/1001466556.db2.gz ZJCINRNFWLAPLZ-UHFFFAOYSA-N 1 2 371.353 2.863 20 5 FFBDLO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCCCNc1cccc[nH+]1 ZINC000774514076 1001955156 /nfs/dbraw/zinc/95/51/56/1001955156.db2.gz JDQGGLAJNRACFD-UHFFFAOYSA-N 1 2 355.398 2.796 20 5 FFBDLO COc1ccc(C[C@@H](C)[NH+]2CC(N3CCC(F)(F)CC3)C2)c([N+](=O)[O-])c1 ZINC001170347163 1003134145 /nfs/dbraw/zinc/13/41/45/1003134145.db2.gz QYOLAQZXEQXGCC-CYBMUJFWSA-N 1 2 369.412 2.950 20 5 FFBDLO COC(=O)c1ccc2c(c1)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)C2 ZINC001197413483 1004214081 /nfs/dbraw/zinc/21/40/81/1004214081.db2.gz XRGDFIKBZCGMIN-UHFFFAOYSA-N 1 2 356.378 2.948 20 5 FFBDLO COC(=O)c1ccc2c(c1)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)C2 ZINC001197413483 1004214087 /nfs/dbraw/zinc/21/40/87/1004214087.db2.gz XRGDFIKBZCGMIN-UHFFFAOYSA-N 1 2 356.378 2.948 20 5 FFBDLO Cc1cc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c(N)c([N+](=O)[O-])c1 ZINC000104142806 1004434591 /nfs/dbraw/zinc/43/45/91/1004434591.db2.gz VVPOONVKGLMKCD-UHFFFAOYSA-N 1 2 365.393 2.660 20 5 FFBDLO CC(C)COC1CC[NH+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)CC1 ZINC000853491341 1006410012 /nfs/dbraw/zinc/41/00/12/1006410012.db2.gz QCDIQGPSPNCCQX-UHFFFAOYSA-N 1 2 359.430 2.948 20 5 FFBDLO O=[N+]([O-])c1cn(C[NH+]2CCC(c3ccon3)CC2)nc1-c1ccccn1 ZINC000853590789 1006463563 /nfs/dbraw/zinc/46/35/63/1006463563.db2.gz UXEVCKMJYJTDRK-UHFFFAOYSA-N 1 2 354.370 2.678 20 5 FFBDLO Cn1c(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cc2ccccc21 ZINC001206152529 1032165131 /nfs/dbraw/zinc/16/51/31/1032165131.db2.gz ZFMHDANATVFDQV-UHFFFAOYSA-N 1 2 351.410 2.804 20 5 FFBDLO CC(=O)Nc1ccc(OC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)cc1 ZINC001135741790 1007266507 /nfs/dbraw/zinc/26/65/07/1007266507.db2.gz WZCGYGCZMSYAHE-UHFFFAOYSA-N 1 2 366.333 2.958 20 5 FFBDLO Cc1ccc(O[C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)nc1 ZINC000858034696 1008284084 /nfs/dbraw/zinc/28/40/84/1008284084.db2.gz CLPULBYIRVBLGV-YOEHRIQHSA-N 1 2 370.409 2.779 20 5 FFBDLO Cc1ccc(O[C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)nc1 ZINC000858034696 1008284085 /nfs/dbraw/zinc/28/40/85/1008284085.db2.gz CLPULBYIRVBLGV-YOEHRIQHSA-N 1 2 370.409 2.779 20 5 FFBDLO Cc1ccc(O[C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)nc1 ZINC000858038950 1008286350 /nfs/dbraw/zinc/28/63/50/1008286350.db2.gz ZPEVFAGGFVNQGY-LSDHHAIUSA-N 1 2 370.409 2.779 20 5 FFBDLO Cc1ccc(O[C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)nc1 ZINC000858038950 1008286352 /nfs/dbraw/zinc/28/63/52/1008286352.db2.gz ZPEVFAGGFVNQGY-LSDHHAIUSA-N 1 2 370.409 2.779 20 5 FFBDLO C[C@H](C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000860100815 1008839163 /nfs/dbraw/zinc/83/91/63/1008839163.db2.gz OSCIIGFURZPSQV-LLVKDONJSA-N 1 2 368.390 2.848 20 5 FFBDLO C[C@H](C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000860100815 1008839175 /nfs/dbraw/zinc/83/91/75/1008839175.db2.gz OSCIIGFURZPSQV-LLVKDONJSA-N 1 2 368.390 2.848 20 5 FFBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1coc(C[NH+](C)C)n1 ZINC001179127829 1009266674 /nfs/dbraw/zinc/26/66/74/1009266674.db2.gz AGOSRYFWZXVIRK-AWEZNQCLSA-N 1 2 360.414 2.530 20 5 FFBDLO O=C(Cc1cccc(F)c1[N+](=O)[O-])NCc1cc[nH+]c(N2CCCC2)c1 ZINC000864675158 1010551533 /nfs/dbraw/zinc/55/15/33/1010551533.db2.gz CBUNLDFEQHDQKI-UHFFFAOYSA-N 1 2 358.373 2.588 20 5 FFBDLO CN(CCCn1cc[nH+]c1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000122621635 1011806875 /nfs/dbraw/zinc/80/68/75/1011806875.db2.gz DFMNKPOBXZJKMO-UHFFFAOYSA-N 1 2 357.414 2.554 20 5 FFBDLO O=C(COc1ccccc1[N+](=O)[O-])OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000748492571 1017293307 /nfs/dbraw/zinc/29/33/07/1017293307.db2.gz RPEUAIQINQDRDD-UHFFFAOYSA-N 1 2 353.334 2.903 20 5 FFBDLO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927072592 1018346250 /nfs/dbraw/zinc/34/62/50/1018346250.db2.gz LLPLUBDMNHYVGK-UHFFFAOYSA-N 1 2 358.373 2.775 20 5 FFBDLO CCC[C@]1(C2CC2)NC(=O)N(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000802742039 1020372132 /nfs/dbraw/zinc/37/21/32/1020372132.db2.gz YWKGPIDIUTWXHO-LJQANCHMSA-N 1 2 374.441 2.527 20 5 FFBDLO CCC[C@]1(C2CC2)NC(=O)N(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000802742039 1020372146 /nfs/dbraw/zinc/37/21/46/1020372146.db2.gz YWKGPIDIUTWXHO-LJQANCHMSA-N 1 2 374.441 2.527 20 5 FFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2ccn(C)n2)C1 ZINC000932137156 1020718274 /nfs/dbraw/zinc/71/82/74/1020718274.db2.gz MPMGBXZZVDNUBJ-UONOGXRCSA-N 1 2 357.414 2.535 20 5 FFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2ccn(C)n2)C1 ZINC000932137156 1020718283 /nfs/dbraw/zinc/71/82/83/1020718283.db2.gz MPMGBXZZVDNUBJ-UONOGXRCSA-N 1 2 357.414 2.535 20 5 FFBDLO Cc1cc2nc3nc(=O)[nH]c(O[C@H]4CCC[NH2+]C[C@@H]4C)c3nc2cc1C ZINC001217990924 1032937477 /nfs/dbraw/zinc/93/74/77/1032937477.db2.gz QBZDPBZTWPSRCO-WFASDCNBSA-N 1 2 353.426 2.662 20 5 FFBDLO C[N@@H+](CC(=O)NCCC1=CCCCC1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000933357247 1021000269 /nfs/dbraw/zinc/00/02/69/1021000269.db2.gz IFYSAJXSIMMPGP-SFHVURJKSA-N 1 2 361.442 2.567 20 5 FFBDLO C[N@H+](CC(=O)NCCC1=CCCCC1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000933357247 1021000274 /nfs/dbraw/zinc/00/02/74/1021000274.db2.gz IFYSAJXSIMMPGP-SFHVURJKSA-N 1 2 361.442 2.567 20 5 FFBDLO C[C@@H]1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000934654449 1021322832 /nfs/dbraw/zinc/32/28/32/1021322832.db2.gz RXKFJJIZAFYAJO-DYVFJYSZSA-N 1 2 360.389 2.973 20 5 FFBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000157762902 1022457746 /nfs/dbraw/zinc/45/77/46/1022457746.db2.gz UBHOMXKWNIPZNB-IEBWSBKVSA-N 1 2 372.421 2.798 20 5 FFBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000157762902 1022457753 /nfs/dbraw/zinc/45/77/53/1022457753.db2.gz UBHOMXKWNIPZNB-IEBWSBKVSA-N 1 2 372.421 2.798 20 5 FFBDLO COC(=O)c1ccccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000159169299 1022627599 /nfs/dbraw/zinc/62/75/99/1022627599.db2.gz GTQYHIHMBHBHMT-UHFFFAOYSA-N 1 2 355.394 2.704 20 5 FFBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCO[C@H](CCc3ccccc3)C2)cc1 ZINC000755274191 1023586411 /nfs/dbraw/zinc/58/64/11/1023586411.db2.gz WFLPXEJSRALVDL-UXHICEINSA-N 1 2 356.422 2.962 20 5 FFBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCO[C@H](CCc3ccccc3)C2)cc1 ZINC000755274191 1023586416 /nfs/dbraw/zinc/58/64/16/1023586416.db2.gz WFLPXEJSRALVDL-UXHICEINSA-N 1 2 356.422 2.962 20 5 FFBDLO O=C(NC1([C@@H]2CCCO2)CCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001124119649 1024294420 /nfs/dbraw/zinc/29/44/20/1024294420.db2.gz OTFZLVBSOFJSPS-INIZCTEOSA-N 1 2 356.382 2.612 20 5 FFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000779883644 1025220170 /nfs/dbraw/zinc/22/01/70/1025220170.db2.gz DQDFNLCBPADASS-AWEZNQCLSA-N 1 2 369.377 2.861 20 5 FFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000779883644 1025220180 /nfs/dbraw/zinc/22/01/80/1025220180.db2.gz DQDFNLCBPADASS-AWEZNQCLSA-N 1 2 369.377 2.861 20 5 FFBDLO C[C@H](C(=O)NCCCN(C)c1cccc[nH+]1)c1ccc([N+](=O)[O-])cc1F ZINC001153114066 1027775450 /nfs/dbraw/zinc/77/54/50/1027775450.db2.gz PHYUWWMSOWJXMG-ZDUSSCGKSA-N 1 2 360.389 2.875 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCC(C)(C)c2cc(OC)cc[nH+]2)n1 ZINC001162131359 1028445589 /nfs/dbraw/zinc/44/55/89/1028445589.db2.gz VAENXNCLNAAJCK-UHFFFAOYSA-N 1 2 360.370 2.570 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000780766597 1028803672 /nfs/dbraw/zinc/80/36/72/1028803672.db2.gz HLFYRVOYYQDFSA-IRXDYDNUSA-N 1 2 372.425 2.693 20 5 FFBDLO Cc1cnc(N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)c([N+](=O)[O-])c1 ZINC001165983807 1030189271 /nfs/dbraw/zinc/18/92/71/1030189271.db2.gz FTIYRHBVSLHNJG-UHFFFAOYSA-N 1 2 369.425 2.569 20 5 FFBDLO C[C@@H]1C[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000797414822 1031102463 /nfs/dbraw/zinc/10/24/63/1031102463.db2.gz BWQPVRGTDVUNFS-LBTNJELSSA-N 1 2 360.414 2.560 20 5 FFBDLO C[C@@H]1C[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000797414822 1031102472 /nfs/dbraw/zinc/10/24/72/1031102472.db2.gz BWQPVRGTDVUNFS-LBTNJELSSA-N 1 2 360.414 2.560 20 5 FFBDLO Cc1cc(O[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ncc1[N+](=O)[O-] ZINC001225660538 1034355411 /nfs/dbraw/zinc/35/54/11/1034355411.db2.gz DYFRLXQFZLXAKI-YJBOKZPZSA-N 1 2 357.410 2.967 20 5 FFBDLO Cc1cc(O[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ncc1[N+](=O)[O-] ZINC001225660538 1034355421 /nfs/dbraw/zinc/35/54/21/1034355421.db2.gz DYFRLXQFZLXAKI-YJBOKZPZSA-N 1 2 357.410 2.967 20 5 FFBDLO O=C(OC1CCC2(CC1)OCCO2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835255399 1035644836 /nfs/dbraw/zinc/64/48/36/1035644836.db2.gz IGYUFJOVTLGODO-UHFFFAOYSA-N 1 2 373.365 2.623 20 5 FFBDLO COc1ccc(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1[N+](=O)[O-] ZINC001536343616 1069957212 /nfs/dbraw/zinc/95/72/12/1069957212.db2.gz RCBYPJPHXACFEU-INIZCTEOSA-N 1 2 366.377 2.971 20 5 FFBDLO CC[C@@H](OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@H](C)C(=O)OC ZINC000836113811 1036245983 /nfs/dbraw/zinc/24/59/83/1036245983.db2.gz JIFWAXLNUGQEHO-XHDPSFHLSA-N 1 2 361.354 2.525 20 5 FFBDLO O=C(Nc1ccccc1)N1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254599047 1040829243 /nfs/dbraw/zinc/82/92/43/1040829243.db2.gz JVZCKCGYMKXOHU-IBGZPJMESA-N 1 2 366.421 2.912 20 5 FFBDLO O=C(CC[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1)N1CCc2ccccc2C1 ZINC001255398693 1041319783 /nfs/dbraw/zinc/31/97/83/1041319783.db2.gz QWMCGKSHDGPJDC-UHFFFAOYSA-N 1 2 351.406 2.885 20 5 FFBDLO O=C(CC[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1)N1CCc2ccccc2C1 ZINC001255398693 1041319793 /nfs/dbraw/zinc/31/97/93/1041319793.db2.gz QWMCGKSHDGPJDC-UHFFFAOYSA-N 1 2 351.406 2.885 20 5 FFBDLO Cc1cccn2cc(CCNC(=O)NCc3ccc(C)c([N+](=O)[O-])c3)[nH+]c12 ZINC001312157984 1044056307 /nfs/dbraw/zinc/05/63/07/1044056307.db2.gz YDNKDSKOTHRIPB-UHFFFAOYSA-N 1 2 367.409 2.901 20 5 FFBDLO O=c1[nH]c(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)nc2ccccc21 ZINC001318200182 1045241423 /nfs/dbraw/zinc/24/14/23/1045241423.db2.gz NVSSYNVGFMDQTL-UHFFFAOYSA-N 1 2 365.393 2.566 20 5 FFBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001288268231 1047438191 /nfs/dbraw/zinc/43/81/91/1047438191.db2.gz XMRHAQALKCYGKS-GOSISDBHSA-N 1 2 350.378 2.892 20 5 FFBDLO COC(=O)c1cc(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)cc([N+](=O)[O-])c1 ZINC001293928911 1049654409 /nfs/dbraw/zinc/65/44/09/1049654409.db2.gz SZCOAKDSBVXKOQ-HNNXBMFYSA-N 1 2 360.370 2.804 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCC[C@]12CCOC2 ZINC001341014564 1051351070 /nfs/dbraw/zinc/35/10/70/1051351070.db2.gz HWNDZGWMUGOACE-GOSISDBHSA-N 1 2 356.382 2.566 20 5 FFBDLO CC(C)c1[nH]cc(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)[nH+]1 ZINC001304108758 1051539657 /nfs/dbraw/zinc/53/96/57/1051539657.db2.gz ZZYUZHMRFJZGPY-UHFFFAOYSA-N 1 2 355.757 2.746 20 5 FFBDLO CC(C)c1[nH]c(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)c[nH+]1 ZINC001304108758 1051539666 /nfs/dbraw/zinc/53/96/66/1051539666.db2.gz ZZYUZHMRFJZGPY-UHFFFAOYSA-N 1 2 355.757 2.746 20 5 FFBDLO CCOC(=O)C(CC)(CC)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001307802610 1052352165 /nfs/dbraw/zinc/35/21/65/1052352165.db2.gz KOTFLHYOYFXHHZ-UHFFFAOYSA-N 1 2 351.403 2.635 20 5 FFBDLO CC[C@@H]1COC(C)(C)C[N@@H+]1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848490285 1060146275 /nfs/dbraw/zinc/14/62/75/1060146275.db2.gz YLIIJAJIODXXEI-NVXWUHKLSA-N 1 2 361.442 2.758 20 5 FFBDLO CC[C@@H]1COC(C)(C)C[N@H+]1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848490285 1060146281 /nfs/dbraw/zinc/14/62/81/1060146281.db2.gz YLIIJAJIODXXEI-NVXWUHKLSA-N 1 2 361.442 2.758 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000600366144 1060317756 /nfs/dbraw/zinc/31/77/56/1060317756.db2.gz MRUWZRISYQNJOO-UHFFFAOYSA-N 1 2 373.413 2.667 20 5 FFBDLO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)Nc2cc[nH+]c(C)c2)c1 ZINC001458478187 1060599508 /nfs/dbraw/zinc/59/95/08/1060599508.db2.gz DSSHVQCYUNHPEZ-UHFFFAOYSA-N 1 2 351.366 2.526 20 5 FFBDLO O=C(Oc1ccc2nccnc2c1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001458530033 1060613279 /nfs/dbraw/zinc/61/32/79/1060613279.db2.gz WTUKOQZMZNCXNR-UHFFFAOYSA-N 1 2 361.317 2.943 20 5 FFBDLO CCCc1ncc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)o1 ZINC001460034637 1060878829 /nfs/dbraw/zinc/87/88/29/1060878829.db2.gz VZWGJBNTLXYDHP-UHFFFAOYSA-N 1 2 355.354 2.651 20 5 FFBDLO C[C@@H]([NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)c1nnnn1C ZINC001461798461 1061408849 /nfs/dbraw/zinc/40/88/49/1061408849.db2.gz ZZXGHVKYAGLRKC-CYBMUJFWSA-N 1 2 367.413 2.737 20 5 FFBDLO O=C(Nc1ccc2[nH+]ccn2c1)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001533111219 1063245722 /nfs/dbraw/zinc/24/57/22/1063245722.db2.gz ZDVJXJUFRQDNEC-UHFFFAOYSA-N 1 2 354.322 2.656 20 5 FFBDLO Cc1cccc(CCCNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC001525670356 1063378611 /nfs/dbraw/zinc/37/86/11/1063378611.db2.gz LUIPPSBVYWXIET-UHFFFAOYSA-N 1 2 365.393 2.847 20 5 FFBDLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001469327359 1064128545 /nfs/dbraw/zinc/12/85/45/1064128545.db2.gz XODSJWDFSYLCCU-LBPRGKRZSA-N 1 2 369.406 2.660 20 5 FFBDLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)c(N)c1[N+](=O)[O-] ZINC001472226842 1064976631 /nfs/dbraw/zinc/97/66/31/1064976631.db2.gz XBRSIOATYSDUFO-CYBMUJFWSA-N 1 2 354.410 2.871 20 5 FFBDLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)c(N)c1[N+](=O)[O-] ZINC001472226842 1064976638 /nfs/dbraw/zinc/97/66/38/1064976638.db2.gz XBRSIOATYSDUFO-CYBMUJFWSA-N 1 2 354.410 2.871 20 5 FFBDLO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](CO)c1ccc(Cl)cc1 ZINC001473493773 1065274111 /nfs/dbraw/zinc/27/41/11/1065274111.db2.gz FPKIJFXXTXLNET-MRXNPFEDSA-N 1 2 363.801 2.513 20 5 FFBDLO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](CO)c1ccc(Cl)cc1 ZINC001473493773 1065274120 /nfs/dbraw/zinc/27/41/20/1065274120.db2.gz FPKIJFXXTXLNET-MRXNPFEDSA-N 1 2 363.801 2.513 20 5 FFBDLO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CC[C@@H](CF)C2)c1 ZINC001473751040 1065346970 /nfs/dbraw/zinc/34/69/70/1065346970.db2.gz MGVTWSVDVDLOPD-VIFPVBQESA-N 1 2 364.158 2.991 20 5 FFBDLO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CC[C@@H](CF)C2)c1 ZINC001473751040 1065346976 /nfs/dbraw/zinc/34/69/76/1065346976.db2.gz MGVTWSVDVDLOPD-VIFPVBQESA-N 1 2 364.158 2.991 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]1c1[nH]c(C)c(C)[nH+]1 ZINC001473791144 1065363036 /nfs/dbraw/zinc/36/30/36/1065363036.db2.gz XKKHXAVRVYTOFL-HNNXBMFYSA-N 1 2 373.413 2.719 20 5 FFBDLO O=C(Cc1cccc(F)c1[N+](=O)[O-])NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001583267907 1079186230 /nfs/dbraw/zinc/18/62/30/1079186230.db2.gz KXYUHMSHCBIYMY-UHFFFAOYSA-N 1 2 372.331 2.918 20 5 FFBDLO O=C(NC[C@H]1CCC2(CCC2)CO1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001584384654 1079346840 /nfs/dbraw/zinc/34/68/40/1079346840.db2.gz ILCQDNJKXGGJQO-OAHLLOKOSA-N 1 2 370.409 2.860 20 5 FFBDLO NC(=O)c1cc(NCCn2c[nH+]cc2-c2ccccc2)ccc1[N+](=O)[O-] ZINC001559248715 1076139810 /nfs/dbraw/zinc/13/98/10/1076139810.db2.gz HJFUSCSTCPVPDD-UHFFFAOYSA-N 1 2 351.366 2.669 20 5 FFBDLO CC(C)OC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC001560153598 1076237858 /nfs/dbraw/zinc/23/78/58/1076237858.db2.gz KYKYULAJRVRPMM-CYBMUJFWSA-N 1 2 363.414 2.585 20 5 FFBDLO COC(=O)COc1ccc(C[NH2+]Cc2nc3ccccc3o2)cc1[N+](=O)[O-] ZINC001561014912 1076319357 /nfs/dbraw/zinc/31/93/57/1076319357.db2.gz GDGXIPJKHGEULL-UHFFFAOYSA-N 1 2 371.349 2.578 20 5 FFBDLO COCc1cc(O)ccc1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001570252957 1077193418 /nfs/dbraw/zinc/19/34/18/1077193418.db2.gz JTWKHOXGVHYZSP-UHFFFAOYSA-N 1 2 368.349 2.885 20 5 FFBDLO O=C(Nc1cccc(CCO)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001570290538 1077195891 /nfs/dbraw/zinc/19/58/91/1077195891.db2.gz YRHDPLSRRXYNCR-UHFFFAOYSA-N 1 2 352.350 2.568 20 5 FFBDLO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)Cc1ccccc1 ZINC001587639686 1079833982 /nfs/dbraw/zinc/83/39/82/1079833982.db2.gz LQFRMTVWCOENGK-QGZVFWFLSA-N 1 2 371.437 2.983 20 5 FFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1cccnc1-n1cc[nH+]c1 ZINC000117751992 250360235 /nfs/dbraw/zinc/36/02/35/250360235.db2.gz OAHYWJLMRROYML-UHFFFAOYSA-N 1 2 371.784 2.688 20 5 FFBDLO CN(Cc1cn2c([nH+]1)CCCC2)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000372989786 512122044 /nfs/dbraw/zinc/12/20/44/512122044.db2.gz MEWCSWXMUBHMHF-UHFFFAOYSA-N 1 2 368.397 2.810 20 5 FFBDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(C(F)(F)c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000272352457 252017606 /nfs/dbraw/zinc/01/76/06/252017606.db2.gz AMQIVEGKVOPYPB-CYBMUJFWSA-N 1 2 368.340 2.900 20 5 FFBDLO CC(C)[N@H+]1CCO[C@@H](c2noc(C(F)(F)c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000272352457 252017609 /nfs/dbraw/zinc/01/76/09/252017609.db2.gz AMQIVEGKVOPYPB-CYBMUJFWSA-N 1 2 368.340 2.900 20 5 FFBDLO C[C@@H](c1cccc(NC(=O)c2c(N)cccc2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000272432504 252038503 /nfs/dbraw/zinc/03/85/03/252038503.db2.gz LKSBZGDFWAGCJR-ZDUSSCGKSA-N 1 2 370.409 2.823 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]CC[S@](=O)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000272518778 252058922 /nfs/dbraw/zinc/05/89/22/252058922.db2.gz KRUOWEIUQDLBJN-MQNRADLISA-N 1 2 364.471 2.555 20 5 FFBDLO CN(Cc1cn2c([nH+]1)CCCC2)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000372995502 512123819 /nfs/dbraw/zinc/12/38/19/512123819.db2.gz JAUVZWFFMLJDJE-UHFFFAOYSA-N 1 2 368.397 2.810 20 5 FFBDLO CN(Cc1cn2c([nH+]1)CCCC2)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000372994550 512124044 /nfs/dbraw/zinc/12/40/44/512124044.db2.gz FCLKGWFOWBMGMI-UHFFFAOYSA-N 1 2 368.397 2.810 20 5 FFBDLO COC(=O)c1cnc(NCc2cc[nH+]c(N3CCCCC3)c2)c([N+](=O)[O-])c1 ZINC000276593214 256112522 /nfs/dbraw/zinc/11/25/22/256112522.db2.gz QGATUWJWRWGMNP-UHFFFAOYSA-N 1 2 371.397 2.774 20 5 FFBDLO COc1cc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc([N+](=O)[O-])c1C ZINC000289312706 257273984 /nfs/dbraw/zinc/27/39/84/257273984.db2.gz XPKIGLGWEKALFJ-CZUORRHYSA-N 1 2 374.397 2.888 20 5 FFBDLO COc1cc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc([N+](=O)[O-])c1C ZINC000289312706 257273985 /nfs/dbraw/zinc/27/39/85/257273985.db2.gz XPKIGLGWEKALFJ-CZUORRHYSA-N 1 2 374.397 2.888 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000289638667 257291589 /nfs/dbraw/zinc/29/15/89/257291589.db2.gz SHWAQOBSXNXSGJ-SJLPKXTDSA-N 1 2 359.426 2.875 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000289638667 257291590 /nfs/dbraw/zinc/29/15/90/257291590.db2.gz SHWAQOBSXNXSGJ-SJLPKXTDSA-N 1 2 359.426 2.875 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@@H](n4cc(Cl)cn4)C3)o2)cc1 ZINC000289695456 257294508 /nfs/dbraw/zinc/29/45/08/257294508.db2.gz BMSXIFYNAKWHNG-CQSZACIVSA-N 1 2 374.788 2.942 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@@H](n4cc(Cl)cn4)C3)o2)cc1 ZINC000289695456 257294509 /nfs/dbraw/zinc/29/45/09/257294509.db2.gz BMSXIFYNAKWHNG-CQSZACIVSA-N 1 2 374.788 2.942 20 5 FFBDLO Cc1cnn([C@@H]2CC[N@H+](CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C2)c1 ZINC000289790211 257299632 /nfs/dbraw/zinc/29/96/32/257299632.db2.gz HSKBACIBGIGJKI-CYBMUJFWSA-N 1 2 363.805 2.639 20 5 FFBDLO Cc1cnn([C@@H]2CC[N@@H+](CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C2)c1 ZINC000289790211 257299633 /nfs/dbraw/zinc/29/96/33/257299633.db2.gz HSKBACIBGIGJKI-CYBMUJFWSA-N 1 2 363.805 2.639 20 5 FFBDLO O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCn2c[nH+]cc2C1 ZINC000290724904 257354602 /nfs/dbraw/zinc/35/46/02/257354602.db2.gz PVNUBVRZYSBMLL-UHFFFAOYSA-N 1 2 357.248 2.739 20 5 FFBDLO O=C1C[N@H+](Cc2cccc(NCc3ccc([N+](=O)[O-])cc3Cl)c2)CCN1 ZINC000291016593 257373793 /nfs/dbraw/zinc/37/37/93/257373793.db2.gz BUPCDQSWKCUNEV-UHFFFAOYSA-N 1 2 374.828 2.792 20 5 FFBDLO O=C1C[N@@H+](Cc2cccc(NCc3ccc([N+](=O)[O-])cc3Cl)c2)CCN1 ZINC000291016593 257373795 /nfs/dbraw/zinc/37/37/95/257373795.db2.gz BUPCDQSWKCUNEV-UHFFFAOYSA-N 1 2 374.828 2.792 20 5 FFBDLO C[N@@H+]1CCO[C@H]([C@H](Nc2ncc([N+](=O)[O-])cn2)c2ccc(Cl)cc2)C1 ZINC000302239536 258097213 /nfs/dbraw/zinc/09/72/13/258097213.db2.gz XBNVTOBYNYAXHF-LSDHHAIUSA-N 1 2 363.805 2.522 20 5 FFBDLO C[N@H+]1CCO[C@H]([C@H](Nc2ncc([N+](=O)[O-])cn2)c2ccc(Cl)cc2)C1 ZINC000302239536 258097215 /nfs/dbraw/zinc/09/72/15/258097215.db2.gz XBNVTOBYNYAXHF-LSDHHAIUSA-N 1 2 363.805 2.522 20 5 FFBDLO O=[N+]([O-])c1cc(Br)cnc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000301647821 258060707 /nfs/dbraw/zinc/06/07/07/258060707.db2.gz DYGLUVYDEJJNTK-GFCCVEGCSA-N 1 2 365.187 2.805 20 5 FFBDLO CCn1c2ccccc2[nH+]c1CCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000302010601 258081810 /nfs/dbraw/zinc/08/18/10/258081810.db2.gz WCTHMHRKPOOHBK-UHFFFAOYSA-N 1 2 351.370 2.662 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000330803473 258171172 /nfs/dbraw/zinc/17/11/72/258171172.db2.gz KDLNAAZVXLCWTR-XNJGSVPQSA-N 1 2 365.430 2.676 20 5 FFBDLO CCN1CCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000332405349 258229004 /nfs/dbraw/zinc/22/90/04/258229004.db2.gz LROSGTZWNUZDKH-INIZCTEOSA-N 1 2 372.429 2.845 20 5 FFBDLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)on1 ZINC000052821878 506255445 /nfs/dbraw/zinc/25/54/45/506255445.db2.gz NJHZPEYTRJDEPR-INIZCTEOSA-N 1 2 356.382 2.617 20 5 FFBDLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)on1 ZINC000052821878 506255447 /nfs/dbraw/zinc/25/54/47/506255447.db2.gz NJHZPEYTRJDEPR-INIZCTEOSA-N 1 2 356.382 2.617 20 5 FFBDLO CNC(=O)c1ccc(N[C@H](c2[nH+]ccn2C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000053553860 506404112 /nfs/dbraw/zinc/40/41/12/506404112.db2.gz ZIBTWFTXIZBLHS-KRWDZBQOSA-N 1 2 365.393 2.889 20 5 FFBDLO CNC(=O)c1ccc(NCc2ccc(Cn3cc[nH+]c3)cc2)c([N+](=O)[O-])c1 ZINC000053572859 506408540 /nfs/dbraw/zinc/40/85/40/506408540.db2.gz BRTUDSBPHGTLAW-UHFFFAOYSA-N 1 2 365.393 2.811 20 5 FFBDLO O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000054515694 506569908 /nfs/dbraw/zinc/56/99/08/506569908.db2.gz OKMZAACHBSJKDH-GOSISDBHSA-N 1 2 373.384 2.537 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000043149522 506709499 /nfs/dbraw/zinc/70/94/99/506709499.db2.gz YGLOJNKHYSEMCW-UHFFFAOYSA-N 1 2 355.398 2.648 20 5 FFBDLO Cc1[nH]c2ccc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)cc2[nH+]1 ZINC000010896317 506756864 /nfs/dbraw/zinc/75/68/64/506756864.db2.gz KZRMAOFWIGPZEF-UHFFFAOYSA-N 1 2 354.322 2.803 20 5 FFBDLO Cc1[nH]c2cc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)ccc2[nH+]1 ZINC000010896317 506756866 /nfs/dbraw/zinc/75/68/66/506756866.db2.gz KZRMAOFWIGPZEF-UHFFFAOYSA-N 1 2 354.322 2.803 20 5 FFBDLO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000043784011 506779288 /nfs/dbraw/zinc/77/92/88/506779288.db2.gz OGJCDFZYOHCKTO-GFCCVEGCSA-N 1 2 357.366 2.783 20 5 FFBDLO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000043784011 506779291 /nfs/dbraw/zinc/77/92/91/506779291.db2.gz OGJCDFZYOHCKTO-GFCCVEGCSA-N 1 2 357.366 2.783 20 5 FFBDLO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccc(F)c(F)c1 ZINC000044438718 506845706 /nfs/dbraw/zinc/84/57/06/506845706.db2.gz NYQYTEVAGVNUHU-UHFFFAOYSA-N 1 2 361.348 2.894 20 5 FFBDLO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccc(F)c(F)c1 ZINC000044438718 506845708 /nfs/dbraw/zinc/84/57/08/506845708.db2.gz NYQYTEVAGVNUHU-UHFFFAOYSA-N 1 2 361.348 2.894 20 5 FFBDLO O=C(Nc1ccccc1C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000055817129 506858445 /nfs/dbraw/zinc/85/84/45/506858445.db2.gz GOZISRTWFHLLIX-UHFFFAOYSA-N 1 2 359.357 2.818 20 5 FFBDLO CCN(CC)c1ccc(CNC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)c[nH+]1 ZINC000067907427 507048500 /nfs/dbraw/zinc/04/85/00/507048500.db2.gz RZPOAXLLDLGNRL-UHFFFAOYSA-N 1 2 372.425 2.704 20 5 FFBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000056895978 507120575 /nfs/dbraw/zinc/12/05/75/507120575.db2.gz ZEZBSJMEMASACO-UHFFFAOYSA-N 1 2 351.366 2.780 20 5 FFBDLO Cc1ccc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000018121469 507138770 /nfs/dbraw/zinc/13/87/70/507138770.db2.gz JLHHSMRACQHOSA-UHFFFAOYSA-N 1 2 369.421 2.740 20 5 FFBDLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1cccc([N+](=O)[O-])c1 ZINC000018179043 507141982 /nfs/dbraw/zinc/14/19/82/507141982.db2.gz NLQOECMIYOFPIY-SFHVURJKSA-N 1 2 370.409 2.617 20 5 FFBDLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1cccc([N+](=O)[O-])c1 ZINC000018179043 507141989 /nfs/dbraw/zinc/14/19/89/507141989.db2.gz NLQOECMIYOFPIY-SFHVURJKSA-N 1 2 370.409 2.617 20 5 FFBDLO CC(C)NC(=O)c1ccc(NCc2ccc(N(C)C)[nH+]c2)c([N+](=O)[O-])c1 ZINC000046484288 507143365 /nfs/dbraw/zinc/14/33/65/507143365.db2.gz MLKDYJRIHIZGOJ-UHFFFAOYSA-N 1 2 357.414 2.806 20 5 FFBDLO CN1CC[NH+](Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)c2)CC1 ZINC000057274191 507224752 /nfs/dbraw/zinc/22/47/52/507224752.db2.gz RGBWHAWKCFQODB-UHFFFAOYSA-N 1 2 372.400 2.734 20 5 FFBDLO CC(=O)NCC[NH+](Cc1cccc([N+](=O)[O-])c1)Cc1cccc([N+](=O)[O-])c1 ZINC000047551398 507357119 /nfs/dbraw/zinc/35/71/19/507357119.db2.gz PJJJGLFEIGSGBI-UHFFFAOYSA-N 1 2 372.381 2.641 20 5 FFBDLO C[C@H](C(=O)NCC1CCCCC1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047745163 507387941 /nfs/dbraw/zinc/38/79/41/507387941.db2.gz VWXAAPVPHSLJBC-MRXNPFEDSA-N 1 2 374.485 2.802 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCN(C)c2ccccc2C1 ZINC000069090135 507403396 /nfs/dbraw/zinc/40/33/96/507403396.db2.gz VWRHKENAXDDKFU-UHFFFAOYSA-N 1 2 354.410 2.794 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCN(C)c2ccccc2C1 ZINC000069090135 507403402 /nfs/dbraw/zinc/40/34/02/507403402.db2.gz VWRHKENAXDDKFU-UHFFFAOYSA-N 1 2 354.410 2.794 20 5 FFBDLO O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccc(Cn2cc[nH+]c2)cc1 ZINC000058975529 507488261 /nfs/dbraw/zinc/48/82/61/507488261.db2.gz XIDJELCQXLQOLW-UHFFFAOYSA-N 1 2 365.393 2.682 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000025398640 507496854 /nfs/dbraw/zinc/49/68/54/507496854.db2.gz MKKFWTRURMSZNU-UHFFFAOYSA-N 1 2 371.393 2.745 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000025398640 507496857 /nfs/dbraw/zinc/49/68/57/507496857.db2.gz MKKFWTRURMSZNU-UHFFFAOYSA-N 1 2 371.393 2.745 20 5 FFBDLO CC[N@H+](CCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000049307202 507611965 /nfs/dbraw/zinc/61/19/65/507611965.db2.gz RPZLVBAEXKCRQJ-UHFFFAOYSA-N 1 2 370.409 2.566 20 5 FFBDLO CC[N@@H+](CCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000049307202 507611976 /nfs/dbraw/zinc/61/19/76/507611976.db2.gz RPZLVBAEXKCRQJ-UHFFFAOYSA-N 1 2 370.409 2.566 20 5 FFBDLO O=C(CN1CCC(c2c[nH]c[nH+]2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000369341672 512359048 /nfs/dbraw/zinc/35/90/48/512359048.db2.gz FFVRGUBGXFULCM-UHFFFAOYSA-N 1 2 363.805 2.789 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000029668639 507786548 /nfs/dbraw/zinc/78/65/48/507786548.db2.gz IVGCARCSGAQYLN-UHFFFAOYSA-N 1 2 366.377 2.778 20 5 FFBDLO CN(C(=O)C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000064482487 507799083 /nfs/dbraw/zinc/79/90/83/507799083.db2.gz VKHNZERDGYYERD-SFHVURJKSA-N 1 2 373.409 2.832 20 5 FFBDLO CN(C(=O)C[N@H+](Cc1ccco1)C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000064482487 507799085 /nfs/dbraw/zinc/79/90/85/507799085.db2.gz VKHNZERDGYYERD-SFHVURJKSA-N 1 2 373.409 2.832 20 5 FFBDLO C[C@H]1CN(c2ccc(CNc3nc4sccn4c3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000052245621 507804075 /nfs/dbraw/zinc/80/40/75/507804075.db2.gz UXEQBVIVIFVUEB-NSHDSACASA-N 1 2 374.426 2.536 20 5 FFBDLO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000030910362 507814787 /nfs/dbraw/zinc/81/47/87/507814787.db2.gz RDQHCDDPQVHQMO-BRWVUGGUSA-N 1 2 374.485 2.800 20 5 FFBDLO C[N@H+](CC(=O)NCCCOC1CCCCC1)Cc1ccccc1[N+](=O)[O-] ZINC000052589566 507814794 /nfs/dbraw/zinc/81/47/94/507814794.db2.gz JEXARNXFKCSRHJ-UHFFFAOYSA-N 1 2 363.458 2.882 20 5 FFBDLO C[N@@H+](CC(=O)NCCCOC1CCCCC1)Cc1ccccc1[N+](=O)[O-] ZINC000052589566 507814796 /nfs/dbraw/zinc/81/47/96/507814796.db2.gz JEXARNXFKCSRHJ-UHFFFAOYSA-N 1 2 363.458 2.882 20 5 FFBDLO CC(=O)c1ccccc1OCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000030910461 507814883 /nfs/dbraw/zinc/81/48/83/507814883.db2.gz FDJYQJRYPQFBIR-UHFFFAOYSA-N 1 2 369.421 2.998 20 5 FFBDLO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)[N@@H+]1CCc2sccc2C1 ZINC000031964291 507822622 /nfs/dbraw/zinc/82/26/22/507822622.db2.gz CEOQPSKQGHYLJM-SNVBAGLBSA-N 1 2 351.453 2.894 20 5 FFBDLO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)[N@H+]1CCc2sccc2C1 ZINC000031964291 507822623 /nfs/dbraw/zinc/82/26/23/507822623.db2.gz CEOQPSKQGHYLJM-SNVBAGLBSA-N 1 2 351.453 2.894 20 5 FFBDLO Cc1cc(NCc2ccc[nH+]c2N2CCC(C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000078445608 507871559 /nfs/dbraw/zinc/87/15/59/507871559.db2.gz ORHPCQMJMZXLNX-UHFFFAOYSA-N 1 2 369.425 2.612 20 5 FFBDLO CCOC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000072976721 507879121 /nfs/dbraw/zinc/87/91/21/507879121.db2.gz UGOCVTROKHZUJL-GFCCVEGCSA-N 1 2 355.822 2.935 20 5 FFBDLO CCOC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000072976721 507879124 /nfs/dbraw/zinc/87/91/24/507879124.db2.gz UGOCVTROKHZUJL-GFCCVEGCSA-N 1 2 355.822 2.935 20 5 FFBDLO COc1ccc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000108999786 507930968 /nfs/dbraw/zinc/93/09/68/507930968.db2.gz CKZSGXXSUQJNHA-UHFFFAOYSA-N 1 2 371.393 2.688 20 5 FFBDLO Cc1c([N+](=O)[O-])cc(C(=O)NCCCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000109627978 507972131 /nfs/dbraw/zinc/97/21/31/507972131.db2.gz PBZISNJWFWAROP-UHFFFAOYSA-N 1 2 373.369 2.829 20 5 FFBDLO O=C(NCc1cccnc1-n1cc[nH+]c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000079538530 507972606 /nfs/dbraw/zinc/97/26/06/507972606.db2.gz IYRGWYZGLSFSTB-UHFFFAOYSA-N 1 2 357.757 2.759 20 5 FFBDLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1O ZINC000080975586 508121172 /nfs/dbraw/zinc/12/11/72/508121172.db2.gz OEICGBNYZIGWGH-GFCCVEGCSA-N 1 2 359.382 2.768 20 5 FFBDLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1O 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ZINC000192249449 509426854 /nfs/dbraw/zinc/42/68/54/509426854.db2.gz JECKHOPDSDFJGA-UHFFFAOYSA-N 1 2 360.414 2.915 20 5 FFBDLO C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179457885 509454472 /nfs/dbraw/zinc/45/44/72/509454472.db2.gz FTZVLWSJADQEDT-UHFFFAOYSA-N 1 2 371.437 2.937 20 5 FFBDLO COc1ccc(CNC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000264372792 509488668 /nfs/dbraw/zinc/48/86/68/509488668.db2.gz GUKASXNMTJXAEY-CYBMUJFWSA-N 1 2 359.386 2.763 20 5 FFBDLO Nc1cccc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000189417750 509565679 /nfs/dbraw/zinc/56/56/79/509565679.db2.gz FWEFZAWEGZHTRR-UHFFFAOYSA-N 1 2 374.828 2.619 20 5 FFBDLO Nc1cccc([N+](=O)[O-])c1C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000189417750 509565684 /nfs/dbraw/zinc/56/56/84/509565684.db2.gz FWEFZAWEGZHTRR-UHFFFAOYSA-N 1 2 374.828 2.619 20 5 FFBDLO COC(=O)c1cc(F)ccc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173468010 509619599 /nfs/dbraw/zinc/61/95/99/509619599.db2.gz FHXWRJXYZRTHHD-CQSZACIVSA-N 1 2 374.372 2.602 20 5 FFBDLO COC(=O)c1cc(F)ccc1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173468010 509619602 /nfs/dbraw/zinc/61/96/02/509619602.db2.gz FHXWRJXYZRTHHD-CQSZACIVSA-N 1 2 374.372 2.602 20 5 FFBDLO O=[N+]([O-])c1ccc2oc(C[NH+]3CCN(c4cc(C5CC5)[nH]n4)CC3)nc2c1 ZINC000189740955 509728480 /nfs/dbraw/zinc/72/84/80/509728480.db2.gz RWUNHVAYXAQZKJ-UHFFFAOYSA-N 1 2 368.397 2.659 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+](Cc2cccnc2)C2CC2)c([N+](=O)[O-])c1 ZINC000180270392 509841303 /nfs/dbraw/zinc/84/13/03/509841303.db2.gz WEDIPHBLNAQTAL-UHFFFAOYSA-N 1 2 370.409 2.992 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+](Cc2cccnc2)C2CC2)c([N+](=O)[O-])c1 ZINC000180270392 509841310 /nfs/dbraw/zinc/84/13/10/509841310.db2.gz WEDIPHBLNAQTAL-UHFFFAOYSA-N 1 2 370.409 2.992 20 5 FFBDLO CN(C(=O)C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000186687080 509852392 /nfs/dbraw/zinc/85/23/92/509852392.db2.gz FRQAZKWWQPBPQW-FQEVSTJZSA-N 1 2 367.405 2.689 20 5 FFBDLO CN(C(=O)C[N@H+]1CC[C@@]2(C1)OCc1ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000186687080 509852398 /nfs/dbraw/zinc/85/23/98/509852398.db2.gz FRQAZKWWQPBPQW-FQEVSTJZSA-N 1 2 367.405 2.689 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccncc1[N+](=O)[O-])c1cccc(F)c1 ZINC000183577143 509867901 /nfs/dbraw/zinc/86/79/01/509867901.db2.gz IGSQNWJQPLTKJC-HNNXBMFYSA-N 1 2 370.344 2.774 20 5 FFBDLO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000171023618 509895251 /nfs/dbraw/zinc/89/52/51/509895251.db2.gz NBRHRCDFLWNMHJ-QPJJXVBHSA-N 1 2 372.450 2.799 20 5 FFBDLO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000171023618 509895259 /nfs/dbraw/zinc/89/52/59/509895259.db2.gz NBRHRCDFLWNMHJ-QPJJXVBHSA-N 1 2 372.450 2.799 20 5 FFBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000171167924 509983229 /nfs/dbraw/zinc/98/32/29/509983229.db2.gz OGTZPFBSDPMJEP-UHFFFAOYSA-N 1 2 365.393 2.822 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3[C@@H](O)C(F)(F)F)o2)cc1 ZINC000265582205 510126375 /nfs/dbraw/zinc/12/63/75/510126375.db2.gz YLZAEENSLSGKTR-DGCLKSJQSA-N 1 2 372.303 2.532 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3[C@@H](O)C(F)(F)F)o2)cc1 ZINC000265582205 510126385 /nfs/dbraw/zinc/12/63/85/510126385.db2.gz YLZAEENSLSGKTR-DGCLKSJQSA-N 1 2 372.303 2.532 20 5 FFBDLO COc1cc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc([N+](=O)[O-])c1OC ZINC000265961478 510326364 /nfs/dbraw/zinc/32/63/64/510326364.db2.gz QMEWICLLJJSSIO-LBPRGKRZSA-N 1 2 360.370 2.703 20 5 FFBDLO CC[C@@]1(CO)CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000187563854 510333122 /nfs/dbraw/zinc/33/31/22/510333122.db2.gz BIKABDIUEDHMQN-MRXNPFEDSA-N 1 2 355.822 2.671 20 5 FFBDLO CC[C@@]1(CO)CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000187563854 510333127 /nfs/dbraw/zinc/33/31/27/510333127.db2.gz BIKABDIUEDHMQN-MRXNPFEDSA-N 1 2 355.822 2.671 20 5 FFBDLO O=C(Cc1cccc([N+](=O)[O-])c1)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000266051272 510380804 /nfs/dbraw/zinc/38/08/04/510380804.db2.gz IOTPWDUMXSPWKK-UHFFFAOYSA-N 1 2 354.410 2.839 20 5 FFBDLO CC[C@H]([NH2+]CC(=O)NC(=O)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000181548609 510467815 /nfs/dbraw/zinc/46/78/15/510467815.db2.gz QOQLVAYIFFWEMX-KRWDZBQOSA-N 1 2 371.393 2.601 20 5 FFBDLO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3O)C2)CC1 ZINC000184722593 510484334 /nfs/dbraw/zinc/48/43/34/510484334.db2.gz RGRHCMNMYKHSPN-OAHLLOKOSA-N 1 2 361.442 2.885 20 5 FFBDLO Cc1c(Br)cc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000269976049 510625525 /nfs/dbraw/zinc/62/55/25/510625525.db2.gz NLIOKYFUHZKYTI-VIFPVBQESA-N 1 2 367.203 2.681 20 5 FFBDLO CC(C)(C)n1cc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nn1 ZINC000191399731 510640776 /nfs/dbraw/zinc/64/07/76/510640776.db2.gz DXRXCTLFKFOPOU-UHFFFAOYSA-N 1 2 359.430 2.985 20 5 FFBDLO CCO[C@@H]1C[C@H]([N@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000181905734 510651262 /nfs/dbraw/zinc/65/12/62/510651262.db2.gz PZNRQORFZHNQRT-JKSUJKDBSA-N 1 2 370.471 2.504 20 5 FFBDLO CCO[C@@H]1C[C@H]([N@@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000181905734 510651270 /nfs/dbraw/zinc/65/12/70/510651270.db2.gz PZNRQORFZHNQRT-JKSUJKDBSA-N 1 2 370.471 2.504 20 5 FFBDLO CO[C@]1(C)C[C@H]([N@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000181935073 510669039 /nfs/dbraw/zinc/66/90/39/510669039.db2.gz XXANJTMNHHGBBA-DOTOQJQBSA-N 1 2 370.471 2.504 20 5 FFBDLO CO[C@]1(C)C[C@H]([N@@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000181935073 510669047 /nfs/dbraw/zinc/66/90/47/510669047.db2.gz XXANJTMNHHGBBA-DOTOQJQBSA-N 1 2 370.471 2.504 20 5 FFBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000185140435 510707361 /nfs/dbraw/zinc/70/73/61/510707361.db2.gz HZXJNNHTNWBQBB-GRNBYLDVSA-N 1 2 352.394 2.788 20 5 FFBDLO C[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178895424 510825231 /nfs/dbraw/zinc/82/52/31/510825231.db2.gz RMDJVGUPVNOOCG-ZDUSSCGKSA-N 1 2 366.377 2.847 20 5 FFBDLO CCc1[nH]nc(C(=O)Nc2ccc3[nH+]c(N(C)C)ccc3c2)c1[N+](=O)[O-] ZINC000195454201 510831361 /nfs/dbraw/zinc/83/13/61/510831361.db2.gz QVRLGBJBIFJAKS-UHFFFAOYSA-N 1 2 354.370 2.747 20 5 FFBDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1c(F)cncc1F ZINC000285512012 510937393 /nfs/dbraw/zinc/93/73/93/510937393.db2.gz DLNAUCAKZNXMIN-ZJUUUORDSA-N 1 2 350.325 2.946 20 5 FFBDLO Cc1cc(NC(=O)N[C@H](c2[nH+]ccn2C)C(C)(C)CO)ccc1[N+](=O)[O-] ZINC000297778280 511065130 /nfs/dbraw/zinc/06/51/30/511065130.db2.gz WBVCNGDAUSGEKH-CQSZACIVSA-N 1 2 361.402 2.518 20 5 FFBDLO COc1cc(CN2CC(C)(C)[C@H]2c2[nH+]ccn2C)c([N+](=O)[O-])cc1OC ZINC000294823882 511189048 /nfs/dbraw/zinc/18/90/48/511189048.db2.gz PEIPWZYQFSNXNT-MRXNPFEDSA-N 1 2 360.414 2.929 20 5 FFBDLO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000364991210 511195524 /nfs/dbraw/zinc/19/55/24/511195524.db2.gz YPERFRAOWYJPEP-UHFFFAOYSA-N 1 2 366.324 2.939 20 5 FFBDLO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000364991210 511195529 /nfs/dbraw/zinc/19/55/29/511195529.db2.gz YPERFRAOWYJPEP-UHFFFAOYSA-N 1 2 366.324 2.939 20 5 FFBDLO COC(=O)c1cnc(N2CCC(c3ccc(C)[nH+]c3)CC2)c([N+](=O)[O-])c1 ZINC000365081961 511246882 /nfs/dbraw/zinc/24/68/82/511246882.db2.gz BNYFWZWMDDGPON-UHFFFAOYSA-N 1 2 356.382 2.864 20 5 FFBDLO CC(C)(C[C@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1)C(N)=O ZINC000295073903 511272509 /nfs/dbraw/zinc/27/25/09/511272509.db2.gz APLQYLQWLVUAAL-LLVKDONJSA-N 1 2 355.385 2.987 20 5 FFBDLO CC(C)(C[C@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1)C(N)=O ZINC000295073903 511272514 /nfs/dbraw/zinc/27/25/14/511272514.db2.gz APLQYLQWLVUAAL-LLVKDONJSA-N 1 2 355.385 2.987 20 5 FFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000291654740 511283249 /nfs/dbraw/zinc/28/32/49/511283249.db2.gz FNDYIGMSLRDMRB-WCQYABFASA-N 1 2 363.805 2.719 20 5 FFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000291654740 511283253 /nfs/dbraw/zinc/28/32/53/511283253.db2.gz FNDYIGMSLRDMRB-WCQYABFASA-N 1 2 363.805 2.719 20 5 FFBDLO C[C@@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1[N+](=O)[O-] ZINC000271690634 511289719 /nfs/dbraw/zinc/28/97/19/511289719.db2.gz ISCCKZIVGDPSSW-DNVCBOLYSA-N 1 2 369.421 2.673 20 5 FFBDLO C[C@@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1[N+](=O)[O-] ZINC000271690634 511289726 /nfs/dbraw/zinc/28/97/26/511289726.db2.gz ISCCKZIVGDPSSW-DNVCBOLYSA-N 1 2 369.421 2.673 20 5 FFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ccncn2)CC1 ZINC000298522490 511315249 /nfs/dbraw/zinc/31/52/49/511315249.db2.gz VWAPMAQUJUOSNI-ZDUSSCGKSA-N 1 2 355.398 2.591 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291764767 511329573 /nfs/dbraw/zinc/32/95/73/511329573.db2.gz LJWCVVQVSXQPSM-YPMHNXCESA-N 1 2 363.805 2.719 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H](n2cccn2)C1 ZINC000291764767 511329577 /nfs/dbraw/zinc/32/95/77/511329577.db2.gz LJWCVVQVSXQPSM-YPMHNXCESA-N 1 2 363.805 2.719 20 5 FFBDLO CC(C)([NH2+]Cc1cn(Cc2cccnc2)nn1)c1ccccc1[N+](=O)[O-] ZINC000291798477 511342397 /nfs/dbraw/zinc/34/23/97/511342397.db2.gz WYVZIGQOUXBXEX-UHFFFAOYSA-N 1 2 352.398 2.655 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000280252569 511393507 /nfs/dbraw/zinc/39/35/07/511393507.db2.gz XEWWWSSSQQPKRZ-MEDUHNTESA-N 1 2 355.822 2.812 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@](C)(O)CC1 ZINC000280252569 511393512 /nfs/dbraw/zinc/39/35/12/511393512.db2.gz XEWWWSSSQQPKRZ-MEDUHNTESA-N 1 2 355.822 2.812 20 5 FFBDLO C[C@@H](NC(=O)N1CC[NH+](Cc2cccnc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000298962100 511467027 /nfs/dbraw/zinc/46/70/27/511467027.db2.gz NBNODZHNOIZFPP-OAHLLOKOSA-N 1 2 369.425 2.578 20 5 FFBDLO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000283852615 511522191 /nfs/dbraw/zinc/52/21/91/511522191.db2.gz UFBFLBGIAVMBFZ-UHFFFAOYSA-N 1 2 355.394 2.825 20 5 FFBDLO O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000280814677 511613512 /nfs/dbraw/zinc/61/35/12/511613512.db2.gz ROAKZPRHLMTDPG-UHFFFAOYSA-N 1 2 355.394 2.649 20 5 FFBDLO O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000280814677 511613518 /nfs/dbraw/zinc/61/35/18/511613518.db2.gz ROAKZPRHLMTDPG-UHFFFAOYSA-N 1 2 355.394 2.649 20 5 FFBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000281107008 511721260 /nfs/dbraw/zinc/72/12/60/511721260.db2.gz WKPINMXBXXEDKK-HNNXBMFYSA-N 1 2 357.414 2.637 20 5 FFBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000274302839 511788093 /nfs/dbraw/zinc/78/80/93/511788093.db2.gz QXSAAQHSVPCUIZ-LBPRGKRZSA-N 1 2 361.423 2.881 20 5 FFBDLO CC[C@@H]1C[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000373815543 512519343 /nfs/dbraw/zinc/51/93/43/512519343.db2.gz QLXFIJJSASSXTA-DYVFJYSZSA-N 1 2 354.378 2.512 20 5 FFBDLO CC[C@@H]1C[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000373815543 512519346 /nfs/dbraw/zinc/51/93/46/512519346.db2.gz QLXFIJJSASSXTA-DYVFJYSZSA-N 1 2 354.378 2.512 20 5 FFBDLO Cc1cn2c([nH+]1)CN([C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)CC2 ZINC000371703997 512536848 /nfs/dbraw/zinc/53/68/48/512536848.db2.gz RJZXITHWTFNBBF-NSHDSACASA-N 1 2 363.805 2.596 20 5 FFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000373915785 512569344 /nfs/dbraw/zinc/56/93/44/512569344.db2.gz LOMIHPIZQHNGTJ-KDOFPFPSSA-N 1 2 370.409 2.608 20 5 FFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000373915785 512569347 /nfs/dbraw/zinc/56/93/47/512569347.db2.gz LOMIHPIZQHNGTJ-KDOFPFPSSA-N 1 2 370.409 2.608 20 5 FFBDLO C[C@H]1C[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000367701308 512622849 /nfs/dbraw/zinc/62/28/49/512622849.db2.gz YYXIGCBBTAQJBV-DZGCQCFKSA-N 1 2 355.394 2.693 20 5 FFBDLO C[C@H]1C[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000367701308 512622851 /nfs/dbraw/zinc/62/28/51/512622851.db2.gz YYXIGCBBTAQJBV-DZGCQCFKSA-N 1 2 355.394 2.693 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000374030352 512631828 /nfs/dbraw/zinc/63/18/28/512631828.db2.gz ASYXBFYRXXCESP-HNNXBMFYSA-N 1 2 372.425 2.812 20 5 FFBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000378241262 512654771 /nfs/dbraw/zinc/65/47/71/512654771.db2.gz HFXHKXASKJOROI-HNNXBMFYSA-N 1 2 371.441 2.986 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000370057171 512745601 /nfs/dbraw/zinc/74/56/01/512745601.db2.gz VFTVRWCABPGLFK-KBPBESRZSA-N 1 2 371.224 2.725 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000370057171 512745604 /nfs/dbraw/zinc/74/56/04/512745604.db2.gz VFTVRWCABPGLFK-KBPBESRZSA-N 1 2 371.224 2.725 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@H](n4cncn4)C3)cs2)c1 ZINC000372363488 512835249 /nfs/dbraw/zinc/83/52/49/512835249.db2.gz CPDQLKDCETVIGO-HNNXBMFYSA-N 1 2 356.411 2.757 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CC[C@H](n4cncn4)C3)cs2)c1 ZINC000372363488 512835255 /nfs/dbraw/zinc/83/52/55/512835255.db2.gz CPDQLKDCETVIGO-HNNXBMFYSA-N 1 2 356.411 2.757 20 5 FFBDLO CO[C@@H](C)c1nc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cs1 ZINC000376476137 512835670 /nfs/dbraw/zinc/83/56/70/512835670.db2.gz FLCUORPFPKZLOT-NSHDSACASA-N 1 2 351.432 2.792 20 5 FFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCCc2c(cnn2C)C1 ZINC000411852181 512843780 /nfs/dbraw/zinc/84/37/80/512843780.db2.gz YJFJZBXFNXKTRR-GFCCVEGCSA-N 1 2 368.397 2.888 20 5 FFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCCc2c(cnn2C)C1 ZINC000411852181 512843786 /nfs/dbraw/zinc/84/37/86/512843786.db2.gz YJFJZBXFNXKTRR-GFCCVEGCSA-N 1 2 368.397 2.888 20 5 FFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412011342 512912354 /nfs/dbraw/zinc/91/23/54/512912354.db2.gz NYJSFMDGLIXXEJ-IBGZPJMESA-N 1 2 372.421 2.920 20 5 FFBDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1csnn1 ZINC000412032605 512920449 /nfs/dbraw/zinc/92/04/49/512920449.db2.gz DOGCNWQCGQVWFM-SFYZADRCSA-N 1 2 355.807 2.778 20 5 FFBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3nc(Cc4ccccc4)no3)CC2)n1 ZINC000368475783 512965941 /nfs/dbraw/zinc/96/59/41/512965941.db2.gz WIEJBDFDPBRLDQ-UHFFFAOYSA-N 1 2 368.397 2.602 20 5 FFBDLO O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000368554404 512998449 /nfs/dbraw/zinc/99/84/49/512998449.db2.gz KVTVQRYTWDHVBK-HOCLYGCPSA-N 1 2 367.833 2.621 20 5 FFBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000372722742 513015014 /nfs/dbraw/zinc/01/50/14/513015014.db2.gz APIXMKNGIKTRIV-OAHLLOKOSA-N 1 2 357.414 2.519 20 5 FFBDLO CCOC(=O)c1cc(N(C)Cc2cn3c([nH+]2)CCCC3)ccc1[N+](=O)[O-] ZINC000428681583 513161875 /nfs/dbraw/zinc/16/18/75/513161875.db2.gz POVQUOYCGKRCQB-UHFFFAOYSA-N 1 2 358.398 2.941 20 5 FFBDLO C[C@@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1[N+](=O)[O-] ZINC000434362280 513300982 /nfs/dbraw/zinc/30/09/82/513300982.db2.gz BYKHMOSCBFSCBI-UKRRQHHQSA-N 1 2 356.382 2.914 20 5 FFBDLO Cc1c(CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cccc1[N+](=O)[O-] ZINC000434419267 513318330 /nfs/dbraw/zinc/31/83/30/513318330.db2.gz KEKZOOMKYXDDMM-MRXNPFEDSA-N 1 2 356.382 2.661 20 5 FFBDLO C[C@](CO)(NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CCCCC1 ZINC000450860678 513370740 /nfs/dbraw/zinc/37/07/40/513370740.db2.gz OAFDNJAWYDOGQH-LJQANCHMSA-N 1 2 372.425 2.842 20 5 FFBDLO COCCCNC(=O)C1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413071170 513424618 /nfs/dbraw/zinc/42/46/18/513424618.db2.gz NLDNMKIBJVBFCM-UHFFFAOYSA-N 1 2 372.425 2.512 20 5 FFBDLO C[C@@H]1CN(c2cccc3cnccc32)CC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000447383351 513460038 /nfs/dbraw/zinc/46/00/38/513460038.db2.gz KPTXDZWCYJMAEF-CQSZACIVSA-N 1 2 366.425 2.587 20 5 FFBDLO C[C@@H]1CN(c2cccc3cnccc32)CC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000447383351 513460043 /nfs/dbraw/zinc/46/00/43/513460043.db2.gz KPTXDZWCYJMAEF-CQSZACIVSA-N 1 2 366.425 2.587 20 5 FFBDLO CCO[C@H]1C[C@H](O)C12CCN(c1[nH+]ccc3ccc([N+](=O)[O-])cc31)CC2 ZINC000413167316 513494987 /nfs/dbraw/zinc/49/49/87/513494987.db2.gz VHMUIDLNSLERTO-IRXDYDNUSA-N 1 2 357.410 2.899 20 5 FFBDLO O=C(NCC(F)(F)F)[C@@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413228014 513533497 /nfs/dbraw/zinc/53/34/97/513533497.db2.gz AZCDSXNIBMMNSA-LLVKDONJSA-N 1 2 368.315 2.648 20 5 FFBDLO COCCO[C@H]1CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425450689 513573535 /nfs/dbraw/zinc/57/35/35/513573535.db2.gz VBZYZRFYIRVBCD-ZDUSSCGKSA-N 1 2 359.220 2.595 20 5 FFBDLO COCCO[C@H]1CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425450689 513573538 /nfs/dbraw/zinc/57/35/38/513573538.db2.gz VBZYZRFYIRVBCD-ZDUSSCGKSA-N 1 2 359.220 2.595 20 5 FFBDLO CCOC[C@H]1CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447802014 513573595 /nfs/dbraw/zinc/57/35/95/513573595.db2.gz GNPJJGWVERMUQW-KRWDZBQOSA-N 1 2 363.458 2.680 20 5 FFBDLO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)C[C@@H](C)O2 ZINC000430284641 513611135 /nfs/dbraw/zinc/61/11/35/513611135.db2.gz ORMVNIFCJBGWOF-SNUQEOBHSA-N 1 2 360.414 2.630 20 5 FFBDLO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)C[C@@H](C)O2 ZINC000430284641 513611142 /nfs/dbraw/zinc/61/11/42/513611142.db2.gz ORMVNIFCJBGWOF-SNUQEOBHSA-N 1 2 360.414 2.630 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3C[C@H](c4ccccc4)[C@](F)(CO)C3)nc2c1 ZINC000451280560 513648228 /nfs/dbraw/zinc/64/82/28/513648228.db2.gz HFMJJJSIVLHQJH-DNVCBOLYSA-N 1 2 370.384 2.771 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3C[C@H](c4ccccc4)[C@](F)(CO)C3)nc2c1 ZINC000451280560 513648235 /nfs/dbraw/zinc/64/82/35/513648235.db2.gz HFMJJJSIVLHQJH-DNVCBOLYSA-N 1 2 370.384 2.771 20 5 FFBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000451398175 513721705 /nfs/dbraw/zinc/72/17/05/513721705.db2.gz DXRYUKLDHQFBTB-UHFFFAOYSA-N 1 2 370.409 2.749 20 5 FFBDLO CCC[C@]1(CO)CCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451437350 513751111 /nfs/dbraw/zinc/75/11/11/513751111.db2.gz XZQGBTRPSPJRSC-GOSISDBHSA-N 1 2 358.398 2.548 20 5 FFBDLO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](CO)c1ccccc1 ZINC000436261634 513811505 /nfs/dbraw/zinc/81/15/05/513811505.db2.gz PUOBILJBKPQDQA-INIZCTEOSA-N 1 2 363.801 2.852 20 5 FFBDLO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](CO)c1ccccc1 ZINC000436261634 513811513 /nfs/dbraw/zinc/81/15/13/513811513.db2.gz PUOBILJBKPQDQA-INIZCTEOSA-N 1 2 363.801 2.852 20 5 FFBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000451548777 513825307 /nfs/dbraw/zinc/82/53/07/513825307.db2.gz OKKWWSPPTZOHCL-AWEZNQCLSA-N 1 2 352.416 2.556 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@H]1[C@H]1CCCO1 ZINC000451551020 513828814 /nfs/dbraw/zinc/82/88/14/513828814.db2.gz VVSCGDIXCFBDBL-DOTOQJQBSA-N 1 2 356.382 2.564 20 5 FFBDLO CC(C)[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1[nH]cc[nH+]1 ZINC000431403473 513890154 /nfs/dbraw/zinc/89/01/54/513890154.db2.gz MKRAUQYTJZHMRA-OAHLLOKOSA-N 1 2 354.370 2.631 20 5 FFBDLO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436974396 514058997 /nfs/dbraw/zinc/05/89/97/514058997.db2.gz YHOTUHDRBVCDQQ-KDOFPFPSSA-N 1 2 369.421 2.941 20 5 FFBDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436974396 514059002 /nfs/dbraw/zinc/05/90/02/514059002.db2.gz YHOTUHDRBVCDQQ-KDOFPFPSSA-N 1 2 369.421 2.941 20 5 FFBDLO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000452021966 514140653 /nfs/dbraw/zinc/14/06/53/514140653.db2.gz UFPMQPJJJUAOIE-LBPRGKRZSA-N 1 2 374.363 2.849 20 5 FFBDLO CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000452021966 514140658 /nfs/dbraw/zinc/14/06/58/514140658.db2.gz UFPMQPJJJUAOIE-LBPRGKRZSA-N 1 2 374.363 2.849 20 5 FFBDLO C[C@H](O)[C@@H]1C[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CCO1 ZINC000414593120 514197845 /nfs/dbraw/zinc/19/78/45/514197845.db2.gz QOVCFPPEDQVDSH-YWZLYKJASA-N 1 2 371.437 2.944 20 5 FFBDLO C[C@H](O)[C@@H]1C[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CCO1 ZINC000414593120 514197848 /nfs/dbraw/zinc/19/78/48/514197848.db2.gz QOVCFPPEDQVDSH-YWZLYKJASA-N 1 2 371.437 2.944 20 5 FFBDLO COc1cc[nH+]cc1NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000432520740 514216045 /nfs/dbraw/zinc/21/60/45/514216045.db2.gz TVJMWOBRMPGQOD-UHFFFAOYSA-N 1 2 354.322 2.564 20 5 FFBDLO COC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]CCNc1ccc([N+](=O)[O-])cc1 ZINC000438300675 514349104 /nfs/dbraw/zinc/34/91/04/514349104.db2.gz DXUHRNYXCMZRQX-QGZVFWFLSA-N 1 2 361.373 2.520 20 5 FFBDLO CC(C)C[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449863708 514395914 /nfs/dbraw/zinc/39/59/14/514395914.db2.gz IPTHHLKWSBODTG-HNNXBMFYSA-N 1 2 358.398 2.668 20 5 FFBDLO CSCC[N@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000438635378 514419223 /nfs/dbraw/zinc/41/92/23/514419223.db2.gz LNWWARDBCPPEGT-UHFFFAOYSA-N 1 2 366.468 2.952 20 5 FFBDLO CSCC[N@@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000438635378 514419230 /nfs/dbraw/zinc/41/92/30/514419230.db2.gz LNWWARDBCPPEGT-UHFFFAOYSA-N 1 2 366.468 2.952 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCOC2(CCCCC2)C1 ZINC000449952787 514438939 /nfs/dbraw/zinc/43/89/39/514438939.db2.gz OVZUZUQJJWXWLC-UHFFFAOYSA-N 1 2 370.409 2.956 20 5 FFBDLO Cc1cc(N(C)CCN(C)CC(F)F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000439119810 514496688 /nfs/dbraw/zinc/49/66/88/514496688.db2.gz PDNGBFTYMHAYKY-UHFFFAOYSA-N 1 2 365.384 2.993 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000450195563 514534578 /nfs/dbraw/zinc/53/45/78/514534578.db2.gz KRTPXLFJFNQXNX-JKSUJKDBSA-N 1 2 370.409 2.669 20 5 FFBDLO CC(C)OC(=O)[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000453311023 514596516 /nfs/dbraw/zinc/59/65/16/514596516.db2.gz ACYKQYMZNVZGHR-GUYCJALGSA-N 1 2 365.430 2.878 20 5 FFBDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000470944995 514684820 /nfs/dbraw/zinc/68/48/20/514684820.db2.gz KINUYIXNDRELLF-DDTOSNHZSA-N 1 2 357.332 2.973 20 5 FFBDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000470944995 514684825 /nfs/dbraw/zinc/68/48/25/514684825.db2.gz KINUYIXNDRELLF-DDTOSNHZSA-N 1 2 357.332 2.973 20 5 FFBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000484556842 514689053 /nfs/dbraw/zinc/68/90/53/514689053.db2.gz LVBORXSPHUPZML-KRWDZBQOSA-N 1 2 358.394 2.753 20 5 FFBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000484556842 514689062 /nfs/dbraw/zinc/68/90/62/514689062.db2.gz LVBORXSPHUPZML-KRWDZBQOSA-N 1 2 358.394 2.753 20 5 FFBDLO CC(C)N1C(=O)N[C@@H]2C[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000498050076 514739228 /nfs/dbraw/zinc/73/92/28/514739228.db2.gz RLCHKBUVWJMSRT-HIFRSBDPSA-N 1 2 352.822 2.625 20 5 FFBDLO CC(C)N1C(=O)N[C@@H]2C[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000498050076 514739237 /nfs/dbraw/zinc/73/92/37/514739237.db2.gz RLCHKBUVWJMSRT-HIFRSBDPSA-N 1 2 352.822 2.625 20 5 FFBDLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498152673 514781355 /nfs/dbraw/zinc/78/13/55/514781355.db2.gz KCOXCDGCJMDCMD-GUYCJALGSA-N 1 2 358.423 2.628 20 5 FFBDLO COc1ccc(CN2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC2=O)cc1 ZINC000467219027 514945226 /nfs/dbraw/zinc/94/52/26/514945226.db2.gz RVNAVHYTRYODFD-UHFFFAOYSA-N 1 2 369.421 2.838 20 5 FFBDLO COc1ccc(CN2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CC2=O)cc1 ZINC000467219027 514945234 /nfs/dbraw/zinc/94/52/34/514945234.db2.gz RVNAVHYTRYODFD-UHFFFAOYSA-N 1 2 369.421 2.838 20 5 FFBDLO C[C@@H]1C[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000456347506 515114260 /nfs/dbraw/zinc/11/42/60/515114260.db2.gz DQJWTZAQIDUIDB-TZMCWYRMSA-N 1 2 355.398 2.827 20 5 FFBDLO COc1c(C(=O)NCc2ccccc2-n2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000476609533 515127751 /nfs/dbraw/zinc/12/77/51/515127751.db2.gz VKNGBLXPKSSQJL-UHFFFAOYSA-N 1 2 352.350 2.719 20 5 FFBDLO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)c2[nH+]ccn21 ZINC000456393922 515152141 /nfs/dbraw/zinc/15/21/41/515152141.db2.gz RSVGFMFBIOKAES-QPUJVOFHSA-N 1 2 365.187 2.990 20 5 FFBDLO COc1ccccc1N1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000485719858 515159001 /nfs/dbraw/zinc/15/90/01/515159001.db2.gz WKFOHFPVXASGFP-UHFFFAOYSA-N 1 2 357.410 2.934 20 5 FFBDLO COC(=O)[C@@H](Cc1ccc(C)cc1)[NH2+]CCNc1ccccc1[N+](=O)[O-] ZINC000481560973 515381558 /nfs/dbraw/zinc/38/15/58/515381558.db2.gz JFILOOJWAKYKJE-QGZVFWFLSA-N 1 2 357.410 2.689 20 5 FFBDLO C[NH+](C)[C@@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000505445368 515536661 /nfs/dbraw/zinc/53/66/61/515536661.db2.gz JHCWSSOWWICXLF-INIZCTEOSA-N 1 2 363.801 2.987 20 5 FFBDLO CC(C)[C@H](C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000473360275 515586663 /nfs/dbraw/zinc/58/66/63/515586663.db2.gz XQLVENIYLKHKLH-XHBSWPGZSA-N 1 2 353.394 2.806 20 5 FFBDLO CC(C)(CNC(=O)c1cc(O)ccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000505614335 515611319 /nfs/dbraw/zinc/61/13/19/515611319.db2.gz XGSFPXGEWYPHNP-UHFFFAOYSA-N 1 2 369.421 2.867 20 5 FFBDLO CC(C)(CNC(=O)c1cc(O)ccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000505614335 515611329 /nfs/dbraw/zinc/61/13/29/515611329.db2.gz XGSFPXGEWYPHNP-UHFFFAOYSA-N 1 2 369.421 2.867 20 5 FFBDLO COCCOc1cccc(C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000459617752 515698583 /nfs/dbraw/zinc/69/85/83/515698583.db2.gz CDKPXLWDRLIWAL-UHFFFAOYSA-N 1 2 358.394 2.883 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494230075 515776443 /nfs/dbraw/zinc/77/64/43/515776443.db2.gz HMOPMMYQKJSCNU-LLVKDONJSA-N 1 2 357.357 2.909 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494230075 515776452 /nfs/dbraw/zinc/77/64/52/515776452.db2.gz HMOPMMYQKJSCNU-LLVKDONJSA-N 1 2 357.357 2.909 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CCC=C(c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000511126314 515793556 /nfs/dbraw/zinc/79/35/56/515793556.db2.gz PNIIJLCCEFYYKP-UHFFFAOYSA-N 1 2 357.366 2.924 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CCC=C(c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000511126314 515793564 /nfs/dbraw/zinc/79/35/64/515793564.db2.gz PNIIJLCCEFYYKP-UHFFFAOYSA-N 1 2 357.366 2.924 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+](CCO)Cc3cccc(F)c3)o2)cc1 ZINC000494288816 515798121 /nfs/dbraw/zinc/79/81/21/515798121.db2.gz WEFCJXRUINFDBR-UHFFFAOYSA-N 1 2 372.356 2.778 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+](CCO)Cc3cccc(F)c3)o2)cc1 ZINC000494288816 515798133 /nfs/dbraw/zinc/79/81/33/515798133.db2.gz WEFCJXRUINFDBR-UHFFFAOYSA-N 1 2 372.356 2.778 20 5 FFBDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000506206255 515815637 /nfs/dbraw/zinc/81/56/37/515815637.db2.gz MOCCVOBEZKBQJW-CYBMUJFWSA-N 1 2 373.384 2.959 20 5 FFBDLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454981670 515873218 /nfs/dbraw/zinc/87/32/18/515873218.db2.gz XVTMEPSZMQTQNK-GJZGRUSLSA-N 1 2 369.425 2.764 20 5 FFBDLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454981670 515873227 /nfs/dbraw/zinc/87/32/27/515873227.db2.gz XVTMEPSZMQTQNK-GJZGRUSLSA-N 1 2 369.425 2.764 20 5 FFBDLO CC[C@@H]1C[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@@H](CC)CN1C(C)=O ZINC000464686626 515922929 /nfs/dbraw/zinc/92/29/29/515922929.db2.gz BRWSRHGZEBHMCP-LSDHHAIUSA-N 1 2 367.421 2.964 20 5 FFBDLO CC[C@@H]1C[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@@H](CC)CN1C(C)=O ZINC000464686626 515922937 /nfs/dbraw/zinc/92/29/37/515922937.db2.gz BRWSRHGZEBHMCP-LSDHHAIUSA-N 1 2 367.421 2.964 20 5 FFBDLO COC(=O)[C@H]1c2ccccc2CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000464818842 515972647 /nfs/dbraw/zinc/97/26/47/515972647.db2.gz QHTHHYGTJYPMNW-GOSISDBHSA-N 1 2 356.378 2.746 20 5 FFBDLO COC(=O)[C@H]1c2ccccc2CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000464818842 515972655 /nfs/dbraw/zinc/97/26/55/515972655.db2.gz QHTHHYGTJYPMNW-GOSISDBHSA-N 1 2 356.378 2.746 20 5 FFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c(F)c1 ZINC000511645954 515977580 /nfs/dbraw/zinc/97/75/80/515977580.db2.gz FSFYRRQATMKMKQ-KCJUWKMLSA-N 1 2 354.275 2.866 20 5 FFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c(F)c1 ZINC000511645954 515977586 /nfs/dbraw/zinc/97/75/86/515977586.db2.gz FSFYRRQATMKMKQ-KCJUWKMLSA-N 1 2 354.275 2.866 20 5 FFBDLO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCc1cn2ccccc2[nH+]1 ZINC000488072557 516104820 /nfs/dbraw/zinc/10/48/20/516104820.db2.gz JCEZVQVBRDHVSW-UHFFFAOYSA-N 1 2 373.800 2.938 20 5 FFBDLO O=C(NCCNc1ccc2ccccc2[nH+]1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470118640 516127891 /nfs/dbraw/zinc/12/78/91/516127891.db2.gz ALRNYYSUCBQCQD-UHFFFAOYSA-N 1 2 369.356 2.938 20 5 FFBDLO CS(=O)(=O)c1cccc(NCCCCNc2cccc[nH+]2)c1[N+](=O)[O-] ZINC000497525915 516325384 /nfs/dbraw/zinc/32/53/84/516325384.db2.gz VBXPPJBBEIKQBA-UHFFFAOYSA-N 1 2 364.427 2.698 20 5 FFBDLO COCC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)(C)C ZINC000512956588 516425490 /nfs/dbraw/zinc/42/54/90/516425490.db2.gz ZMHUXKFKTXJPGJ-INIZCTEOSA-N 1 2 360.414 2.962 20 5 FFBDLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000561382567 516554033 /nfs/dbraw/zinc/55/40/33/516554033.db2.gz SOZUQHBZUKXSQH-UHFFFAOYSA-N 1 2 362.349 2.968 20 5 FFBDLO COc1ccc(-c2ccc(C[N@@H+]3CCNC(=O)[C@@H]3C(C)C)o2)c([N+](=O)[O-])c1 ZINC000513391952 516601078 /nfs/dbraw/zinc/60/10/78/516601078.db2.gz IFFZOGSYUJQRKC-SFHVURJKSA-N 1 2 373.409 2.820 20 5 FFBDLO COc1ccc(-c2ccc(C[N@H+]3CCNC(=O)[C@@H]3C(C)C)o2)c([N+](=O)[O-])c1 ZINC000513391952 516601087 /nfs/dbraw/zinc/60/10/87/516601087.db2.gz IFFZOGSYUJQRKC-SFHVURJKSA-N 1 2 373.409 2.820 20 5 FFBDLO Cc1ccsc1[C@@H](CO)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000536434404 516763853 /nfs/dbraw/zinc/76/38/53/516763853.db2.gz MZBZBNYGEMZZIR-CYBMUJFWSA-N 1 2 372.406 2.614 20 5 FFBDLO C[C@@H](c1cccc(NC(=O)c2cc([N+](=O)[O-])cn2C)c1)[NH+]1CCOCC1 ZINC000519132762 516895909 /nfs/dbraw/zinc/89/59/09/516895909.db2.gz AWGCAUZBUXHEKX-ZDUSSCGKSA-N 1 2 358.398 2.579 20 5 FFBDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)O1 ZINC000558740396 516922798 /nfs/dbraw/zinc/92/27/98/516922798.db2.gz IEEAFBPZFRLHBL-XGVBPZLHSA-N 1 2 368.817 2.932 20 5 FFBDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)O1 ZINC000558740396 516922807 /nfs/dbraw/zinc/92/28/07/516922807.db2.gz IEEAFBPZFRLHBL-XGVBPZLHSA-N 1 2 368.817 2.932 20 5 FFBDLO CN(C)c1[nH]c2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)cc2[nH+]1 ZINC000548391828 516954167 /nfs/dbraw/zinc/95/41/67/516954167.db2.gz UZOMKHABWAVKCJ-UHFFFAOYSA-N 1 2 358.333 2.511 20 5 FFBDLO NC(=O)c1ccc(C[N@@H+]2CC[C@@](F)(c3ccccc3F)C2)c([N+](=O)[O-])c1 ZINC000558863928 516978000 /nfs/dbraw/zinc/97/80/00/516978000.db2.gz IPJHOERDWYHREA-SFHVURJKSA-N 1 2 361.348 2.904 20 5 FFBDLO NC(=O)c1ccc(C[N@H+]2CC[C@@](F)(c3ccccc3F)C2)c([N+](=O)[O-])c1 ZINC000558863928 516978006 /nfs/dbraw/zinc/97/80/06/516978006.db2.gz IPJHOERDWYHREA-SFHVURJKSA-N 1 2 361.348 2.904 20 5 FFBDLO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000552263605 517167325 /nfs/dbraw/zinc/16/73/25/517167325.db2.gz JCJQRKQYGGHHPP-HLLBOEOZSA-N 1 2 372.425 2.739 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000533026066 517256865 /nfs/dbraw/zinc/25/68/65/517256865.db2.gz WUXRNKQANHAGOF-INIZCTEOSA-N 1 2 356.382 2.774 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000533026066 517256874 /nfs/dbraw/zinc/25/68/74/517256874.db2.gz WUXRNKQANHAGOF-INIZCTEOSA-N 1 2 356.382 2.774 20 5 FFBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCc3ccc(O)cc3C2)cccc1[N+](=O)[O-] ZINC000533072097 517279830 /nfs/dbraw/zinc/27/98/30/517279830.db2.gz YKYQLKBPEQJZJB-ZDUSSCGKSA-N 1 2 355.394 2.994 20 5 FFBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCc3ccc(O)cc3C2)cccc1[N+](=O)[O-] ZINC000533072097 517279835 /nfs/dbraw/zinc/27/98/35/517279835.db2.gz YKYQLKBPEQJZJB-ZDUSSCGKSA-N 1 2 355.394 2.994 20 5 FFBDLO Cn1cc[nH+]c1[C@H](CC(=O)NCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000515668050 517441555 /nfs/dbraw/zinc/44/15/55/517441555.db2.gz ZYUJOYFAYXKJKB-LBPRGKRZSA-N 1 2 356.304 2.681 20 5 FFBDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000526999054 517442082 /nfs/dbraw/zinc/44/20/82/517442082.db2.gz LZZZASVJERYUCL-UHFFFAOYSA-N 1 2 360.320 2.848 20 5 FFBDLO Cn1cc[nH+]c1CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000538084379 517460323 /nfs/dbraw/zinc/46/03/23/517460323.db2.gz WBXQODKMZFTFMX-UHFFFAOYSA-N 1 2 362.187 2.673 20 5 FFBDLO CCc1oc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1C(=O)OC ZINC000549383835 517537014 /nfs/dbraw/zinc/53/70/14/517537014.db2.gz ZLPYLCFMSBXDOY-UHFFFAOYSA-N 1 2 373.409 2.859 20 5 FFBDLO CCOC(=O)C[C@H](C)CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534092085 517736768 /nfs/dbraw/zinc/73/67/68/517736768.db2.gz JGUCNTOUAHHSLE-LBPRGKRZSA-N 1 2 358.398 2.783 20 5 FFBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCSC[C@@H]2CCO)c1 ZINC000549866450 517755357 /nfs/dbraw/zinc/75/53/57/517755357.db2.gz WRAZNDWMHYMGOY-LBPRGKRZSA-N 1 2 350.362 2.913 20 5 FFBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCSC[C@@H]2CCO)c1 ZINC000549866450 517755365 /nfs/dbraw/zinc/75/53/65/517755365.db2.gz WRAZNDWMHYMGOY-LBPRGKRZSA-N 1 2 350.362 2.913 20 5 FFBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000538833880 517801016 /nfs/dbraw/zinc/80/10/16/517801016.db2.gz BSZVPTZWDMWAQR-UHFFFAOYSA-N 1 2 354.366 2.880 20 5 FFBDLO C[N@H+]1Cc2ccccc2[C@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000535265109 518171570 /nfs/dbraw/zinc/17/15/70/518171570.db2.gz IULVOVJDYFWNEL-MRXNPFEDSA-N 1 2 361.423 2.597 20 5 FFBDLO C[N@@H+]1Cc2ccccc2[C@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000535265109 518171572 /nfs/dbraw/zinc/17/15/72/518171572.db2.gz IULVOVJDYFWNEL-MRXNPFEDSA-N 1 2 361.423 2.597 20 5 FFBDLO Cc1ccsc1C[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000584373641 518307467 /nfs/dbraw/zinc/30/74/67/518307467.db2.gz XPPJUKZBQIPMAI-UHFFFAOYSA-N 1 2 354.453 2.870 20 5 FFBDLO Cc1ccsc1C[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000584373641 518307472 /nfs/dbraw/zinc/30/74/72/518307472.db2.gz XPPJUKZBQIPMAI-UHFFFAOYSA-N 1 2 354.453 2.870 20 5 FFBDLO O=[N+]([O-])c1cc2c(nc1N1CC[NH+](Cc3cccc(O)c3)CC1)CCCC2 ZINC000567751923 518693194 /nfs/dbraw/zinc/69/31/94/518693194.db2.gz ROTYIQRTZIAMES-UHFFFAOYSA-N 1 2 368.437 2.896 20 5 FFBDLO Cc1noc(C)c1CC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000573511061 518700542 /nfs/dbraw/zinc/70/05/42/518700542.db2.gz CZPLARRBSGCQEF-QGZVFWFLSA-N 1 2 355.398 2.855 20 5 FFBDLO CC[C@@H]1C[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CCN1CC(F)F ZINC000589503802 519019400 /nfs/dbraw/zinc/01/94/00/519019400.db2.gz WHBUJGQEUMZQAK-CQSZACIVSA-N 1 2 371.384 2.543 20 5 FFBDLO CC[C@@H]1C[N@@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CCN1CC(F)F 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ORNAWIDEPWKCBU-UHFFFAOYSA-N 1 2 354.410 2.510 20 5 FFBDLO CC1CC(n2nnc3c2C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC3)C1 ZINC000602986518 520007905 /nfs/dbraw/zinc/00/79/05/520007905.db2.gz FXFIWBHHECXOCE-UHFFFAOYSA-N 1 2 357.414 2.594 20 5 FFBDLO CC1CC(n2nnc3c2C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC3)C1 ZINC000602986518 520007917 /nfs/dbraw/zinc/00/79/17/520007917.db2.gz FXFIWBHHECXOCE-UHFFFAOYSA-N 1 2 357.414 2.594 20 5 FFBDLO Cc1ccc2c(c1)C[N@H+]([C@H]1CC(=O)N(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000594660821 520072875 /nfs/dbraw/zinc/07/28/75/520072875.db2.gz RGPHYQXFLRWMTG-SFHVURJKSA-N 1 2 365.389 2.593 20 5 FFBDLO Cc1ccc2c(c1)C[N@@H+]([C@H]1CC(=O)N(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000594660821 520072882 /nfs/dbraw/zinc/07/28/82/520072882.db2.gz RGPHYQXFLRWMTG-SFHVURJKSA-N 1 2 365.389 2.593 20 5 FFBDLO COc1ccccc1CN1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000609075646 520185977 /nfs/dbraw/zinc/18/59/77/520185977.db2.gz MSWTZZJQLFEWRW-UHFFFAOYSA-N 1 2 371.437 2.800 20 5 FFBDLO 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O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3[nH+]ccn3c2)c(Cl)c1 ZINC000610032978 520513578 /nfs/dbraw/zinc/51/35/78/520513578.db2.gz ZRIDQMNXBHRNDI-UHFFFAOYSA-N 1 2 352.759 2.697 20 5 FFBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC2(CCCC2)O1 ZINC000592732796 520548823 /nfs/dbraw/zinc/54/88/23/520548823.db2.gz CCYRGCVTYSMRSS-CQSZACIVSA-N 1 2 370.409 2.954 20 5 FFBDLO Cc1cc(OCC(=O)NCCc2cn3c(cccc3C)[nH+]2)ccc1[N+](=O)[O-] ZINC000592745521 520555026 /nfs/dbraw/zinc/55/50/26/520555026.db2.gz HRDREYVHRHIWLO-UHFFFAOYSA-N 1 2 368.393 2.597 20 5 FFBDLO COc1cc(C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)on1 ZINC000595563321 520557394 /nfs/dbraw/zinc/55/73/94/520557394.db2.gz QOQCCZBKASDYKU-SHTZXODSSA-N 1 2 361.398 2.897 20 5 FFBDLO COc1cc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)on1 ZINC000595563321 520557401 /nfs/dbraw/zinc/55/74/01/520557401.db2.gz QOQCCZBKASDYKU-SHTZXODSSA-N 1 2 361.398 2.897 20 5 FFBDLO Cc1c(CNC(=O)NCc2ccc[nH+]c2N2CCCC2)cccc1[N+](=O)[O-] ZINC000595587102 520571882 /nfs/dbraw/zinc/57/18/82/520571882.db2.gz CRQOQUVFKKSRJE-UHFFFAOYSA-N 1 2 369.425 2.898 20 5 FFBDLO C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000598459222 520627799 /nfs/dbraw/zinc/62/77/99/520627799.db2.gz FUCYOVHVLQLGDM-UWVGGRQHSA-N 1 2 352.778 2.626 20 5 FFBDLO C[C@@H]1CCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@@H]1n1cc[nH+]c1 ZINC000601129365 520650268 /nfs/dbraw/zinc/65/02/68/520650268.db2.gz GUULZDXAKQKZPI-ZJUUUORDSA-N 1 2 358.324 2.631 20 5 FFBDLO C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C(F)(F)F)O1 ZINC000610413318 520672646 /nfs/dbraw/zinc/67/26/46/520672646.db2.gz NGUJEJKZFFSUED-GXFFZTMASA-N 1 2 361.320 2.575 20 5 FFBDLO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C(F)(F)F)O1 ZINC000610413318 520672657 /nfs/dbraw/zinc/67/26/57/520672657.db2.gz NGUJEJKZFFSUED-GXFFZTMASA-N 1 2 361.320 2.575 20 5 FFBDLO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000593032841 520696696 /nfs/dbraw/zinc/69/66/96/520696696.db2.gz CGXMUDQFWCECQB-UHFFFAOYSA-N 1 2 372.400 2.978 20 5 FFBDLO CC(=O)c1cc(N2CC[NH+](Cc3ccc(O)cc3)CC2)ccc1[N+](=O)[O-] ZINC000601256546 520711560 /nfs/dbraw/zinc/71/15/60/520711560.db2.gz DVHYRMRSPONMDI-UHFFFAOYSA-N 1 2 355.394 2.825 20 5 FFBDLO CC(C)(C)OC(=O)C1([NH2+]CCn2ccc([N+](=O)[O-])n2)CCCCCC1 ZINC000593062838 520717773 /nfs/dbraw/zinc/71/77/73/520717773.db2.gz LKDFHLSKNSYYCD-UHFFFAOYSA-N 1 2 352.435 2.816 20 5 FFBDLO CN(C(=O)C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCCCC1 ZINC000610581047 520751334 /nfs/dbraw/zinc/75/13/34/520751334.db2.gz COVZJFLIAYRVRQ-UHFFFAOYSA-N 1 2 360.414 2.959 20 5 FFBDLO CN(C(=O)C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCCCC1 ZINC000610581047 520751339 /nfs/dbraw/zinc/75/13/39/520751339.db2.gz COVZJFLIAYRVRQ-UHFFFAOYSA-N 1 2 360.414 2.959 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593117922 520758539 /nfs/dbraw/zinc/75/85/39/520758539.db2.gz OIMRNMYQXUDOPE-BONVTDFDSA-N 1 2 355.341 2.662 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593117922 520758546 /nfs/dbraw/zinc/75/85/46/520758546.db2.gz OIMRNMYQXUDOPE-BONVTDFDSA-N 1 2 355.341 2.662 20 5 FFBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000610614076 520765401 /nfs/dbraw/zinc/76/54/01/520765401.db2.gz AZAAPDOGECQDSZ-DZGCQCFKSA-N 1 2 367.427 2.524 20 5 FFBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000610614076 520765408 /nfs/dbraw/zinc/76/54/08/520765408.db2.gz AZAAPDOGECQDSZ-DZGCQCFKSA-N 1 2 367.427 2.524 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000610701341 520802976 /nfs/dbraw/zinc/80/29/76/520802976.db2.gz XUGNKGCGAODEMW-GFCCVEGCSA-N 1 2 365.393 2.898 20 5 FFBDLO COc1cc(NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596069922 520893323 /nfs/dbraw/zinc/89/33/23/520893323.db2.gz KDNBVVGNJSZLPI-INIZCTEOSA-N 1 2 370.881 2.941 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000601730074 520922782 /nfs/dbraw/zinc/92/27/82/520922782.db2.gz URSMUTGLYSRPDS-UHFFFAOYSA-N 1 2 355.394 2.567 20 5 FFBDLO Cc1nccnc1N1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599075377 521017618 /nfs/dbraw/zinc/01/76/18/521017618.db2.gz VVKUQWZVMZKDRO-UHFFFAOYSA-N 1 2 350.382 2.568 20 5 FFBDLO Cc1cc(N(CCOCCO)C2CCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596311779 521020906 /nfs/dbraw/zinc/02/09/06/521020906.db2.gz FQGNBSGTPWGEHW-UHFFFAOYSA-N 1 2 372.425 2.728 20 5 FFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000599084566 521023178 /nfs/dbraw/zinc/02/31/78/521023178.db2.gz UKJLIUDTIRBTAN-QGZVFWFLSA-N 1 2 361.423 2.548 20 5 FFBDLO CCOC(=O)c1ccnc(N2CC[C@@H](c3cc(C)cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000599099619 521031401 /nfs/dbraw/zinc/03/14/01/521031401.db2.gz GUWVYWSEKVICIO-CYBMUJFWSA-N 1 2 356.382 2.864 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc[nH+]c2N2CCCC2)c1 ZINC000596358222 521040261 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FFBDLO O=C(CCc1[nH]cc[nH+]1)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000839870332 746948727 /nfs/dbraw/zinc/94/87/27/746948727.db2.gz SUVSCOVGEKJFIB-ZDUSSCGKSA-N 1 2 360.267 2.809 20 5 FFBDLO COc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC000844452471 748034069 /nfs/dbraw/zinc/03/40/69/748034069.db2.gz MCRJPJBHTQIJEW-DTORHVGOSA-N 1 2 350.268 2.902 20 5 FFBDLO COc1cc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC000844452471 748034075 /nfs/dbraw/zinc/03/40/75/748034075.db2.gz MCRJPJBHTQIJEW-DTORHVGOSA-N 1 2 350.268 2.902 20 5 FFBDLO O=C1CCC2=C(CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)N1 ZINC000852295918 749826237 /nfs/dbraw/zinc/82/62/37/749826237.db2.gz MQLUPCQDVDHPCF-UHFFFAOYSA-N 1 2 355.316 2.983 20 5 FFBDLO O=C1CCC2=C(CC[N@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)N1 ZINC000852295918 749826240 /nfs/dbraw/zinc/82/62/40/749826240.db2.gz MQLUPCQDVDHPCF-UHFFFAOYSA-N 1 2 355.316 2.983 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000852534167 749885972 /nfs/dbraw/zinc/88/59/72/749885972.db2.gz HZNUKTLCBGEQSB-UVWXRNBGSA-N 1 2 353.806 2.544 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000852534167 749885975 /nfs/dbraw/zinc/88/59/75/749885975.db2.gz HZNUKTLCBGEQSB-UVWXRNBGSA-N 1 2 353.806 2.544 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000852699971 749928179 /nfs/dbraw/zinc/92/81/79/749928179.db2.gz ADIGRZFITDMTHH-GLKRBJQHSA-N 1 2 355.822 2.526 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000852699971 749928185 /nfs/dbraw/zinc/92/81/85/749928185.db2.gz ADIGRZFITDMTHH-GLKRBJQHSA-N 1 2 355.822 2.526 20 5 FFBDLO CCOC(=O)Cc1ccc(N2CCC[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000825701925 1013667701 /nfs/dbraw/zinc/66/77/01/1013667701.db2.gz IACVPGMBMDMFMT-OAHLLOKOSA-N 1 2 358.398 2.738 20 5 FFBDLO O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000840058498 969052389 /nfs/dbraw/zinc/05/23/89/969052389.db2.gz SSWISPDQHPPVEC-XHDPSFHLSA-N 1 2 373.331 2.764 20 5 FFBDLO O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000840058498 969052399 /nfs/dbraw/zinc/05/23/99/969052399.db2.gz SSWISPDQHPPVEC-XHDPSFHLSA-N 1 2 373.331 2.764 20 5 FFBDLO C[C@@H](CNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1[N+](=O)[O-] ZINC000897061572 973204614 /nfs/dbraw/zinc/20/46/14/973204614.db2.gz KQHNLZKIBDIEKS-UONOGXRCSA-N 1 2 357.414 2.631 20 5 FFBDLO C[NH+](C)Cc1nc(CSCCNc2ncccc2[N+](=O)[O-])cs1 ZINC001168108966 979433181 /nfs/dbraw/zinc/43/31/81/979433181.db2.gz UZJRXVSHVXELMC-UHFFFAOYSA-N 1 2 353.473 2.853 20 5 FFBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cnc3c(F)cccc3c2)CC1 ZINC000877576321 1014633144 /nfs/dbraw/zinc/63/31/44/1014633144.db2.gz JHVDBQUALOMGGG-UHFFFAOYSA-N 1 2 367.384 2.999 20 5 FFBDLO COc1ccc(-c2noc(-c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)n2)cn1 ZINC000904532651 980295246 /nfs/dbraw/zinc/29/52/46/980295246.db2.gz WFEAPZZTYUNJCC-UHFFFAOYSA-N 1 2 364.321 2.901 20 5 FFBDLO O=[N+]([O-])c1ccccc1-c1nnc(C[NH2+][C@@]2(CO)CCc3ccccc32)o1 ZINC001168264462 981241400 /nfs/dbraw/zinc/24/14/00/981241400.db2.gz IXEFYKDADMGLAL-LJQANCHMSA-N 1 2 366.377 2.568 20 5 FFBDLO COc1cc(F)cc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c1 ZINC001127213134 986009050 /nfs/dbraw/zinc/00/90/50/986009050.db2.gz GZUSOMVNIJXJHD-UHFFFAOYSA-N 1 2 370.340 2.858 20 5 FFBDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000920767000 990917411 /nfs/dbraw/zinc/91/74/11/990917411.db2.gz CZZNBPIVJBVZKT-AWEZNQCLSA-N 1 2 356.386 2.512 20 5 FFBDLO CC1(C)C[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1[C@@H]1CCCO1 ZINC000811777224 995240349 /nfs/dbraw/zinc/24/03/49/995240349.db2.gz AZDANTNUMCYASD-JKSUJKDBSA-N 1 2 357.414 2.700 20 5 FFBDLO CC1(C)C[N@@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1[C@@H]1CCCO1 ZINC000811777224 995240355 /nfs/dbraw/zinc/24/03/55/995240355.db2.gz AZDANTNUMCYASD-JKSUJKDBSA-N 1 2 357.414 2.700 20 5 FFBDLO COc1ccc(CC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000727862776 995993753 /nfs/dbraw/zinc/99/37/53/995993753.db2.gz ZYVPRGRESCEBOT-INIZCTEOSA-N 1 2 360.414 2.574 20 5 FFBDLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000731669777 998136084 /nfs/dbraw/zinc/13/60/84/998136084.db2.gz LYKLHPZXNIAEKP-CQSZACIVSA-N 1 2 365.430 2.915 20 5 FFBDLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000731669777 998136096 /nfs/dbraw/zinc/13/60/96/998136096.db2.gz LYKLHPZXNIAEKP-CQSZACIVSA-N 1 2 365.430 2.915 20 5 FFBDLO Cc1nn(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000740856210 999687063 /nfs/dbraw/zinc/68/70/63/999687063.db2.gz BICUNKHHMAUVHL-SMDDNHRTSA-N 1 2 367.450 2.601 20 5 FFBDLO Cc1nn(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000740856210 999687065 /nfs/dbraw/zinc/68/70/65/999687065.db2.gz BICUNKHHMAUVHL-SMDDNHRTSA-N 1 2 367.450 2.601 20 5 FFBDLO Cc1ccccc1[C@H](CO)[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001169205836 1000032734 /nfs/dbraw/zinc/03/27/34/1000032734.db2.gz DHZDURAWONMOAH-HNNXBMFYSA-N 1 2 354.366 2.776 20 5 FFBDLO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[NH+](CCOc2ccccc2)CC1 ZINC000804328793 1000053925 /nfs/dbraw/zinc/05/39/25/1000053925.db2.gz WXEDKFLGHPPUIQ-UHFFFAOYSA-N 1 2 372.381 2.704 20 5 FFBDLO C[C@@](O)(C1CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1)C(F)(F)F ZINC000767517268 1000119386 /nfs/dbraw/zinc/11/93/86/1000119386.db2.gz YVHXMBJAOMDLQW-OAHLLOKOSA-N 1 2 372.347 2.927 20 5 FFBDLO C[C@@H]1CCCN(c2ccc(C(=O)OCc3c[nH+]cn3C)cc2[N+](=O)[O-])C1 ZINC000770143613 1000690702 /nfs/dbraw/zinc/69/07/02/1000690702.db2.gz FEBIJOPJERDRFM-CYBMUJFWSA-N 1 2 358.398 2.922 20 5 FFBDLO C[C@H](O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1ccccc1 ZINC001149027036 1001252820 /nfs/dbraw/zinc/25/28/20/1001252820.db2.gz NVLFVEMFBKDYTM-SCLBCKFNSA-N 1 2 366.377 2.632 20 5 FFBDLO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000788570338 1001826195 /nfs/dbraw/zinc/82/61/95/1001826195.db2.gz DQSMSOGZCDRBEU-OAHLLOKOSA-N 1 2 370.365 2.604 20 5 FFBDLO COc1c(O)ccc(C[NH2+][C@@H](CCO)c2ccccc2F)c1[N+](=O)[O-] ZINC001182545605 1001955265 /nfs/dbraw/zinc/95/52/65/1001955265.db2.gz XNFXXLQKFDGCRB-AWEZNQCLSA-N 1 2 350.346 2.661 20 5 FFBDLO Cn1c[nH+]cc1CCOC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000793251075 1003318428 /nfs/dbraw/zinc/31/84/28/1003318428.db2.gz SUNOTRLDGZJPAG-UHFFFAOYSA-N 1 2 358.398 2.718 20 5 FFBDLO COC(=O)c1ccc2c(c1)OCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC001198596065 1004673292 /nfs/dbraw/zinc/67/32/92/1004673292.db2.gz INODPXURJFDOQT-UHFFFAOYSA-N 1 2 372.377 2.655 20 5 FFBDLO COC(=O)c1ccc2c(c1)OCC[N@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC001198596065 1004673295 /nfs/dbraw/zinc/67/32/95/1004673295.db2.gz INODPXURJFDOQT-UHFFFAOYSA-N 1 2 372.377 2.655 20 5 FFBDLO CC(C)c1[nH+]ccn1CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001195115311 1004895829 /nfs/dbraw/zinc/89/58/29/1004895829.db2.gz GVIUQZBOIKUWOT-UHFFFAOYSA-N 1 2 372.834 2.547 20 5 FFBDLO CC(C)(C)OC(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001187341300 1006049326 /nfs/dbraw/zinc/04/93/26/1006049326.db2.gz WARSFENERDLSEL-UHFFFAOYSA-N 1 2 353.394 2.952 20 5 FFBDLO COCc1ncc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC000813999467 1006094711 /nfs/dbraw/zinc/09/47/11/1006094711.db2.gz MKZGIWYYACWJFU-UHFFFAOYSA-N 1 2 374.378 2.740 20 5 FFBDLO CC[C@@H](C[NH+]1CCOCC1)Nc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001187663284 1006190136 /nfs/dbraw/zinc/19/01/36/1006190136.db2.gz UKQBWWAYIDUZPY-LBPRGKRZSA-N 1 2 364.833 2.741 20 5 FFBDLO COc1ccc(CNC(=O)NCc2[nH+]cc(C)c(OC)c2C)cc1[N+](=O)[O-] ZINC000747985463 1006463130 /nfs/dbraw/zinc/46/31/30/1006463130.db2.gz IALCJDWOZSQLCV-UHFFFAOYSA-N 1 2 374.397 2.623 20 5 FFBDLO Cc1cc(CNC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc(C)[nH+]1 ZINC000817170859 1007452530 /nfs/dbraw/zinc/45/25/30/1007452530.db2.gz LXBIIOPSJXPTNK-UHFFFAOYSA-N 1 2 369.425 2.638 20 5 FFBDLO O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1C[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000817370996 1007566175 /nfs/dbraw/zinc/56/61/75/1007566175.db2.gz QJILPAVXCQATJU-OAHLLOKOSA-N 1 2 358.398 2.881 20 5 FFBDLO O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1C[N@H+]1CC[C@@H](C2CCCC2)C1 ZINC000817370996 1007566186 /nfs/dbraw/zinc/56/61/86/1007566186.db2.gz QJILPAVXCQATJU-OAHLLOKOSA-N 1 2 358.398 2.881 20 5 FFBDLO CCOCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000859325893 1008501768 /nfs/dbraw/zinc/50/17/68/1008501768.db2.gz ZDKNTJMWSLDSTK-UHFFFAOYSA-N 1 2 357.410 2.542 20 5 FFBDLO O=C(OCc1noc(C2CCC2)n1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000859712381 1008629542 /nfs/dbraw/zinc/62/95/42/1008629542.db2.gz JKAJBFRUQBVLJP-UHFFFAOYSA-N 1 2 369.337 2.788 20 5 FFBDLO CC(C)Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n(C)n1 ZINC000822883833 1008792675 /nfs/dbraw/zinc/79/26/75/1008792675.db2.gz RHGARQMEAUDWHH-UHFFFAOYSA-N 1 2 368.397 2.965 20 5 FFBDLO COc1cccc2c1CN(C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)C2=O ZINC000863267155 1010147767 /nfs/dbraw/zinc/14/77/67/1010147767.db2.gz WPRZWYWHZJUIKR-UHFFFAOYSA-N 1 2 355.394 2.691 20 5 FFBDLO COc1cccc2c1CN(C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)C2=O ZINC000863267155 1010147777 /nfs/dbraw/zinc/14/77/77/1010147777.db2.gz WPRZWYWHZJUIKR-UHFFFAOYSA-N 1 2 355.394 2.691 20 5 FFBDLO COc1ccc2c(c1)CC[N@@H+](Cn1c(=O)oc3cccc([N+](=O)[O-])c31)CC2 ZINC000794644107 1010438897 /nfs/dbraw/zinc/43/88/97/1010438897.db2.gz XYRDEMPCFKDFJW-UHFFFAOYSA-N 1 2 369.377 2.570 20 5 FFBDLO COc1ccc2c(c1)CC[N@H+](Cn1c(=O)oc3cccc([N+](=O)[O-])c31)CC2 ZINC000794644107 1010438905 /nfs/dbraw/zinc/43/89/05/1010438905.db2.gz XYRDEMPCFKDFJW-UHFFFAOYSA-N 1 2 369.377 2.570 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000412285413 1012022659 /nfs/dbraw/zinc/02/26/59/1012022659.db2.gz BKRJLTQYTSPPBU-BHYGNILZSA-N 1 2 354.410 2.838 20 5 FFBDLO Cc1nc(C[N@@H+](C)C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)no1 ZINC001173010238 1012178466 /nfs/dbraw/zinc/17/84/66/1012178466.db2.gz OQJIRSVCWAQABH-UHFFFAOYSA-N 1 2 367.356 2.665 20 5 FFBDLO Cc1nc(C[N@H+](C)C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)no1 ZINC001173010238 1012178474 /nfs/dbraw/zinc/17/84/74/1012178474.db2.gz OQJIRSVCWAQABH-UHFFFAOYSA-N 1 2 367.356 2.665 20 5 FFBDLO COC(=O)C1([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2ccccc2C1 ZINC001173211932 1012369791 /nfs/dbraw/zinc/36/97/91/1012369791.db2.gz VNYLAOLVZPOBDY-CQSZACIVSA-N 1 2 354.406 2.826 20 5 FFBDLO O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000681984618 1018660531 /nfs/dbraw/zinc/66/05/31/1018660531.db2.gz UFZAWXHOMZXZBA-UHFFFAOYSA-N 1 2 371.396 2.980 20 5 FFBDLO Cc1cc(C)[nH+]c(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000929994241 1019797712 /nfs/dbraw/zinc/79/77/12/1019797712.db2.gz OELLOITUGUGISQ-UHFFFAOYSA-N 1 2 354.410 2.565 20 5 FFBDLO COc1ccccc1N1CCC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000902637892 1020357119 /nfs/dbraw/zinc/35/71/19/1020357119.db2.gz 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FFBDLO CN(C)c1cc(COC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)cc[nH+]1 ZINC000755890844 1023647367 /nfs/dbraw/zinc/64/73/67/1023647367.db2.gz WRIJRDODZACZQB-UHFFFAOYSA-N 1 2 368.349 2.667 20 5 FFBDLO C[C@@]12C[N@H+](Cn3nc(-c4ccccc4[N+](=O)[O-])oc3=O)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000840114586 1026962235 /nfs/dbraw/zinc/96/22/35/1026962235.db2.gz GYCIFIYHRZMVTO-CFLYGVGMSA-N 1 2 368.393 2.513 20 5 FFBDLO C[C@@]12C[N@@H+](Cn3nc(-c4ccccc4[N+](=O)[O-])oc3=O)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000840114586 1026962241 /nfs/dbraw/zinc/96/22/41/1026962241.db2.gz GYCIFIYHRZMVTO-CFLYGVGMSA-N 1 2 368.393 2.513 20 5 FFBDLO CC1(C)[C@H](OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H]2CCO[C@H]21 ZINC000247455733 1027070097 /nfs/dbraw/zinc/07/00/97/1027070097.db2.gz ZWDCPSOXOGRFRU-APHBMKBZSA-N 1 2 357.366 2.751 20 5 FFBDLO O=C(NCCC1=CC[N@H+](Cc2ccc(Cl)s2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160090778 1027586141 /nfs/dbraw/zinc/58/61/41/1027586141.db2.gz OTEUXJFLRZYXNH-ZIAGYGMSSA-N 1 2 369.874 2.705 20 5 FFBDLO O=C(NCCC1=CC[N@@H+](Cc2ccc(Cl)s2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160090778 1027586149 /nfs/dbraw/zinc/58/61/49/1027586149.db2.gz OTEUXJFLRZYXNH-ZIAGYGMSSA-N 1 2 369.874 2.705 20 5 FFBDLO Cc1nc(Cl)c([N+](=O)[O-])c(N[C@@H](C[NH+]2CCOCC2)C(C)(C)C)n1 ZINC001162877820 1028691628 /nfs/dbraw/zinc/69/16/28/1028691628.db2.gz RKWYMFTUWUIZMI-NSHDSACASA-N 1 2 357.842 2.505 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000780763445 1028800610 /nfs/dbraw/zinc/80/06/10/1028800610.db2.gz CREADKIVKXYSGO-ZWKOTPCHSA-N 1 2 370.384 2.880 20 5 FFBDLO COc1ccc2ncc([N+](=O)[O-])c(NCCCN(C)c3cccc[nH+]3)c2c1 ZINC001163995870 1029138047 /nfs/dbraw/zinc/13/80/47/1029138047.db2.gz AIJKKRHZZUOSIQ-UHFFFAOYSA-N 1 2 367.409 2.907 20 5 FFBDLO Cc1[nH]c([C@@H]2CCCN2c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)[nH+]c1C ZINC001164131738 1029180847 /nfs/dbraw/zinc/18/08/47/1029180847.db2.gz YLSKXYFRYXAEEE-AWEZNQCLSA-N 1 2 364.427 2.680 20 5 FFBDLO O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc2[nH+]ccn2c1 ZINC000781666951 1029336864 /nfs/dbraw/zinc/33/68/64/1029336864.db2.gz DRJLDWRAHSREPA-UHFFFAOYSA-N 1 2 355.310 2.722 20 5 FFBDLO C/C(=C/C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000783699643 1030241084 /nfs/dbraw/zinc/24/10/84/1030241084.db2.gz FEGHBPGILXAAKO-PFONDFGASA-N 1 2 352.394 2.742 20 5 FFBDLO C/C(=C\C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000784090546 1030461427 /nfs/dbraw/zinc/46/14/27/1030461427.db2.gz XGRUKHJVIYMGKR-WCRPCQDQSA-N 1 2 352.394 2.788 20 5 FFBDLO C[N@H+](CCCOCc1ccccc1)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000799163069 1031677914 /nfs/dbraw/zinc/67/79/14/1031677914.db2.gz IXOXVEPGOHXHIF-UHFFFAOYSA-N 1 2 371.393 2.999 20 5 FFBDLO C[N@@H+](CCCOCc1ccccc1)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000799163069 1031677924 /nfs/dbraw/zinc/67/79/24/1031677924.db2.gz IXOXVEPGOHXHIF-UHFFFAOYSA-N 1 2 371.393 2.999 20 5 FFBDLO CC(C)(NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CCOCC1 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CN(C)c1[nH+]ccc2c1CN(c1ncnc3sc([N+](=O)[O-])cc31)CC2 ZINC001262720099 1041814953 /nfs/dbraw/zinc/81/49/53/1041814953.db2.gz RZAGVUDYUNWAGT-UHFFFAOYSA-N 1 2 356.411 2.623 20 5 FFBDLO O=[N+]([O-])c1cccc(C[NH+]2CCN(c3ncnc4ccc(F)cc43)CC2)c1 ZINC001319996107 1045322601 /nfs/dbraw/zinc/32/26/01/1045322601.db2.gz FVPRQTBKTCXGTL-UHFFFAOYSA-N 1 2 367.384 2.999 20 5 FFBDLO O=C(c1cccc2[nH+]ccn21)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001294020708 1049670237 /nfs/dbraw/zinc/67/02/37/1049670237.db2.gz ARJYYPUMTBPQPI-UHFFFAOYSA-N 1 2 366.377 2.926 20 5 FFBDLO CCOC(=O)C[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001345029167 1052207630 /nfs/dbraw/zinc/20/76/30/1052207630.db2.gz GJRXTEZVQHXRST-LBPRGKRZSA-N 1 2 369.805 2.604 20 5 FFBDLO CCOC(=O)C[C@@H]1CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001345029167 1052207637 /nfs/dbraw/zinc/20/76/37/1052207637.db2.gz GJRXTEZVQHXRST-LBPRGKRZSA-N 1 2 369.805 2.604 20 5 FFBDLO CCOC(=O)c1cc([N+](=O)[O-])c(N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)cc1C ZINC001306963021 1052228453 /nfs/dbraw/zinc/22/84/53/1052228453.db2.gz XPTWOBNDKQWGGD-UONOGXRCSA-N 1 2 365.430 2.601 20 5 FFBDLO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCN1C(=O)OC(C)(C)C ZINC001307686067 1052336267 /nfs/dbraw/zinc/33/62/67/1052336267.db2.gz ZOMAEHDGRHDVCS-CQSZACIVSA-N 1 2 365.430 2.915 20 5 FFBDLO C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCN1C(=O)OC(C)(C)C ZINC001307686067 1052336274 /nfs/dbraw/zinc/33/62/74/1052336274.db2.gz ZOMAEHDGRHDVCS-CQSZACIVSA-N 1 2 365.430 2.915 20 5 FFBDLO COc1ccc(NC(=O)NCCc2cn3c([nH+]2)CCCC3)c([N+](=O)[O-])c1 ZINC001346521183 1053066790 /nfs/dbraw/zinc/06/67/90/1053066790.db2.gz DGWNWBOPQLWJEG-UHFFFAOYSA-N 1 2 359.386 2.500 20 5 FFBDLO CC[C@@H](O)[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001300092456 1055735930 /nfs/dbraw/zinc/73/59/30/1055735930.db2.gz NTFUPSKYRPQBKU-NVXWUHKLSA-N 1 2 358.398 2.546 20 5 FFBDLO COc1ncc(C)cc1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001515551036 1059697186 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354.410 2.744 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000018236569 507146726 /nfs/dbraw/zinc/14/67/26/507146726.db2.gz QGONELJKGJGMHW-MRXNPFEDSA-N 1 2 354.341 2.987 20 5 FFBDLO COc1ccccc1[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1[nH+]ccn1C ZINC000018237682 507146798 /nfs/dbraw/zinc/14/67/98/507146798.db2.gz MDOHXUUNWRUFJZ-QGZVFWFLSA-N 1 2 366.377 2.856 20 5 FFBDLO CCCc1n[nH]c(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)c1[N+](=O)[O-] ZINC000068477360 507244470 /nfs/dbraw/zinc/24/44/70/507244470.db2.gz YDAZFLKFOTYAFS-UHFFFAOYSA-N 1 2 371.441 2.537 20 5 FFBDLO CCCc1[nH]nc(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)c1[N+](=O)[O-] ZINC000068477360 507244473 /nfs/dbraw/zinc/24/44/73/507244473.db2.gz YDAZFLKFOTYAFS-UHFFFAOYSA-N 1 2 371.441 2.537 20 5 FFBDLO Cc1cccnc1OC1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000377574732 512334757 /nfs/dbraw/zinc/33/47/57/512334757.db2.gz XRSPDSCFMSCSJK-UHFFFAOYSA-N 1 2 370.409 2.780 20 5 FFBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3nnc(-c4ccco4)o3)CC2)c1 ZINC000047743750 507388133 /nfs/dbraw/zinc/38/81/33/507388133.db2.gz HQWFACJGYJEYEP-UHFFFAOYSA-N 1 2 355.354 2.560 20 5 FFBDLO C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047745556 507388194 /nfs/dbraw/zinc/38/81/94/507388194.db2.gz KWZADGPMIPSCCT-CQSZACIVSA-N 1 2 372.400 2.883 20 5 FFBDLO O=C(NCCNc1cccc[nH+]1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000047864844 507403488 /nfs/dbraw/zinc/40/34/88/507403488.db2.gz YRBLPSWNIFOHHM-UHFFFAOYSA-N 1 2 367.312 2.825 20 5 FFBDLO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[NH+](Cc2ccncc2)CC1 ZINC000060637687 507570181 /nfs/dbraw/zinc/57/01/81/507570181.db2.gz KXBFFYVKXBCZIC-UHFFFAOYSA-N 1 2 360.801 2.601 20 5 FFBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c3cccnc13)CCC2 ZINC000371350081 512347345 /nfs/dbraw/zinc/34/73/45/512347345.db2.gz PKSOTZYQEQMORC-ZDUSSCGKSA-N 1 2 365.393 2.955 20 5 FFBDLO O=[N+]([O-])c1ccc(NCc2cc[nH+]c(N3CCOCC3)c2)c2ccncc21 ZINC000026717419 507604122 /nfs/dbraw/zinc/60/41/22/507604122.db2.gz AVWXAOVHDHCHSS-UHFFFAOYSA-N 1 2 365.393 2.987 20 5 FFBDLO O=[N+]([O-])c1c(F)cccc1N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000049980496 507647898 /nfs/dbraw/zinc/64/78/98/507647898.db2.gz WHPJSKLIIQOONX-UHFFFAOYSA-N 1 2 355.373 2.704 20 5 FFBDLO O=C(C[N@@H+](CCO)Cc1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000070927151 507661863 /nfs/dbraw/zinc/66/18/63/507661863.db2.gz XTZFUEWPZRJKBA-UHFFFAOYSA-N 1 2 363.801 2.681 20 5 FFBDLO O=C(C[N@H+](CCO)Cc1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000070927151 507661867 /nfs/dbraw/zinc/66/18/67/507661867.db2.gz XTZFUEWPZRJKBA-UHFFFAOYSA-N 1 2 363.801 2.681 20 5 FFBDLO COc1cccc(N2CC[NH+](Cc3ccc(OC)c([N+](=O)[O-])c3)CC2)c1 ZINC000051291565 507758464 /nfs/dbraw/zinc/75/84/64/507758464.db2.gz QPMSTJMBOWENIX-UHFFFAOYSA-N 1 2 357.410 2.934 20 5 FFBDLO Cc1c(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cccc1[N+](=O)[O-] ZINC000078072730 507830449 /nfs/dbraw/zinc/83/04/49/507830449.db2.gz SUDTZRQLCDBUPC-SFHVURJKSA-N 1 2 355.394 2.743 20 5 FFBDLO Cc1c(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cccc1[N+](=O)[O-] ZINC000078072730 507830452 /nfs/dbraw/zinc/83/04/52/507830452.db2.gz SUDTZRQLCDBUPC-SFHVURJKSA-N 1 2 355.394 2.743 20 5 FFBDLO CCC(=O)N1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000089886595 507878242 /nfs/dbraw/zinc/87/82/42/507878242.db2.gz AXGGRITXOQNEBD-UHFFFAOYSA-N 1 2 358.398 2.694 20 5 FFBDLO CCC(=O)N1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000089886595 507878245 /nfs/dbraw/zinc/87/82/45/507878245.db2.gz AXGGRITXOQNEBD-UHFFFAOYSA-N 1 2 358.398 2.694 20 5 FFBDLO Cn1cc[nH+]c1-c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000108638925 507909647 /nfs/dbraw/zinc/90/96/47/507909647.db2.gz GTYFNIZUFZRMGB-UHFFFAOYSA-N 1 2 358.379 2.796 20 5 FFBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000079670815 507989840 /nfs/dbraw/zinc/98/98/40/507989840.db2.gz SXGDZYYVPLCJMT-UHFFFAOYSA-N 1 2 369.425 2.980 20 5 FFBDLO Cc1cc(NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)ncc1[N+](=O)[O-] ZINC000074740851 508051036 /nfs/dbraw/zinc/05/10/36/508051036.db2.gz SCUKUABDJOSOSN-OKILXGFUSA-N 1 2 357.414 2.919 20 5 FFBDLO CC(C)CC[C@](C)(O)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000075127613 508085526 /nfs/dbraw/zinc/08/55/26/508085526.db2.gz KHMNQNXOXXDTGW-SFHVURJKSA-N 1 2 360.414 2.698 20 5 FFBDLO C[C@H](Cn1cc[nH+]c1)Nc1ccc(I)cc1[N+](=O)[O-] ZINC000097347310 508223401 /nfs/dbraw/zinc/22/34/01/508223401.db2.gz HIMOMOGEAQBRHQ-SECBINFHSA-N 1 2 372.166 2.897 20 5 FFBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000101665655 508253396 /nfs/dbraw/zinc/25/33/96/508253396.db2.gz VKJOCIPWRKSTFP-UHFFFAOYSA-N 1 2 374.788 2.968 20 5 FFBDLO C[C@@H](NC(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(F)cc1 ZINC000088607381 508378726 /nfs/dbraw/zinc/37/87/26/508378726.db2.gz BKSABCDUJBSVDY-CYBMUJFWSA-N 1 2 357.385 2.969 20 5 FFBDLO C[C@@H](NC(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(F)cc1 ZINC000088607381 508378729 /nfs/dbraw/zinc/37/87/29/508378729.db2.gz BKSABCDUJBSVDY-CYBMUJFWSA-N 1 2 357.385 2.969 20 5 FFBDLO Cc1c(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000156397960 508414162 /nfs/dbraw/zinc/41/41/62/508414162.db2.gz BRMBBTFUUHLUOI-HNNXBMFYSA-N 1 2 362.430 2.622 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000127706630 508488043 /nfs/dbraw/zinc/48/80/43/508488043.db2.gz BDCZLNZNPTWCKA-UHFFFAOYSA-N 1 2 369.425 2.956 20 5 FFBDLO CC(C)c1ccc(CN2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)cc1[N+](=O)[O-] ZINC000127927647 508522766 /nfs/dbraw/zinc/52/27/66/508522766.db2.gz BARZVRIWPCZKSG-OAHLLOKOSA-N 1 2 374.485 2.503 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000122979960 508617286 /nfs/dbraw/zinc/61/72/86/508617286.db2.gz COJHCUWUQULKHY-UHFFFAOYSA-N 1 2 359.386 2.500 20 5 FFBDLO C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866198 508688792 /nfs/dbraw/zinc/68/87/92/508688792.db2.gz XECUJBIXFGNJOR-NEPJUHHUSA-N 1 2 360.418 2.918 20 5 FFBDLO C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866198 508688794 /nfs/dbraw/zinc/68/87/94/508688794.db2.gz XECUJBIXFGNJOR-NEPJUHHUSA-N 1 2 360.418 2.918 20 5 FFBDLO Cc1ccc(C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)cc1[N+](=O)[O-] ZINC000130045456 508790696 /nfs/dbraw/zinc/79/06/96/508790696.db2.gz LLOCLVWYPCGGQF-UHFFFAOYSA-N 1 2 355.394 2.567 20 5 FFBDLO COCC[NH+]1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000139653529 508793247 /nfs/dbraw/zinc/79/32/47/508793247.db2.gz XVAZQGZSPFCGTP-UHFFFAOYSA-N 1 2 369.421 2.594 20 5 FFBDLO C[N@H+](CCOCc1ccccc1)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000154626388 508821577 /nfs/dbraw/zinc/82/15/77/508821577.db2.gz WJVLNMXTQQEUTR-UHFFFAOYSA-N 1 2 369.421 2.633 20 5 FFBDLO C[N@@H+](CCOCc1ccccc1)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000154626388 508821579 /nfs/dbraw/zinc/82/15/79/508821579.db2.gz WJVLNMXTQQEUTR-UHFFFAOYSA-N 1 2 369.421 2.633 20 5 FFBDLO Cc1c(CC(=O)N2CCC[N@H+](Cc3cscn3)CC2)cccc1[N+](=O)[O-] ZINC000119583527 508823184 /nfs/dbraw/zinc/82/31/84/508823184.db2.gz ALZXCJDPQHKHPE-UHFFFAOYSA-N 1 2 374.466 2.637 20 5 FFBDLO Cc1c(CC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)cccc1[N+](=O)[O-] ZINC000119583527 508823186 /nfs/dbraw/zinc/82/31/86/508823186.db2.gz ALZXCJDPQHKHPE-UHFFFAOYSA-N 1 2 374.466 2.637 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131251520 508905907 /nfs/dbraw/zinc/90/59/07/508905907.db2.gz QBSILFWVISAFSS-LBPRGKRZSA-N 1 2 369.377 2.709 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131251520 508905913 /nfs/dbraw/zinc/90/59/13/508905913.db2.gz QBSILFWVISAFSS-LBPRGKRZSA-N 1 2 369.377 2.709 20 5 FFBDLO O=c1cc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)nc2ccc(Cl)cn12 ZINC000131471547 508937091 /nfs/dbraw/zinc/93/70/91/508937091.db2.gz UDIKJERVNVKESF-UHFFFAOYSA-N 1 2 370.796 2.814 20 5 FFBDLO O=c1cc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)nc2ccc(Cl)cn12 ZINC000131471547 508937095 /nfs/dbraw/zinc/93/70/95/508937095.db2.gz UDIKJERVNVKESF-UHFFFAOYSA-N 1 2 370.796 2.814 20 5 FFBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000160405111 508981967 /nfs/dbraw/zinc/98/19/67/508981967.db2.gz IEZXIDLVBDLVRT-ZDUSSCGKSA-N 1 2 359.348 2.915 20 5 FFBDLO Cc1ccc(NC(=O)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c(C)[nH+]1 ZINC000155773581 509068960 /nfs/dbraw/zinc/06/89/60/509068960.db2.gz RPZDCMRGKBCTSJ-UHFFFAOYSA-N 1 2 370.409 2.684 20 5 FFBDLO COC(=O)CC[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000151970966 509121914 /nfs/dbraw/zinc/12/19/14/509121914.db2.gz VPAXNOGGSBKLAU-LBPRGKRZSA-N 1 2 356.806 2.792 20 5 FFBDLO COC(=O)CC[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000151970966 509121915 /nfs/dbraw/zinc/12/19/15/509121915.db2.gz VPAXNOGGSBKLAU-LBPRGKRZSA-N 1 2 356.806 2.792 20 5 FFBDLO CCOC(=O)c1ccnc(NCc2cc[nH+]c(N3CCCC3)c2)c1[N+](=O)[O-] ZINC000133266030 509139838 /nfs/dbraw/zinc/13/98/38/509139838.db2.gz WRMKMPDAWGUWRD-UHFFFAOYSA-N 1 2 371.397 2.774 20 5 FFBDLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248466337 509334337 /nfs/dbraw/zinc/33/43/37/509334337.db2.gz SFHHTJYBULVXGK-WRWLIDTKSA-N 1 2 372.421 2.797 20 5 FFBDLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248466337 509334342 /nfs/dbraw/zinc/33/43/42/509334342.db2.gz SFHHTJYBULVXGK-WRWLIDTKSA-N 1 2 372.421 2.797 20 5 FFBDLO O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000182941662 509508745 /nfs/dbraw/zinc/50/87/45/509508745.db2.gz LFDUPHPRMWAASB-JKSUJKDBSA-N 1 2 369.381 2.565 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000265208830 509921550 /nfs/dbraw/zinc/92/15/50/509921550.db2.gz FGTRAKIAMQVQDA-OAHLLOKOSA-N 1 2 354.410 2.817 20 5 FFBDLO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000245448171 509942158 /nfs/dbraw/zinc/94/21/58/509942158.db2.gz MQUWIUAZTONKMY-IFXJQAMLSA-N 1 2 369.421 2.964 20 5 FFBDLO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000245448171 509942166 /nfs/dbraw/zinc/94/21/66/509942166.db2.gz MQUWIUAZTONKMY-IFXJQAMLSA-N 1 2 369.421 2.964 20 5 FFBDLO CN(CC1(O)CCCCCC1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000186920202 509952088 /nfs/dbraw/zinc/95/20/88/509952088.db2.gz JHXBFTZYIIWUDV-UHFFFAOYSA-N 1 2 372.425 2.938 20 5 FFBDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@H]1c1ccc(F)c(F)c1 ZINC000245665935 510070817 /nfs/dbraw/zinc/07/08/17/510070817.db2.gz ITGZFQXXEUOVAO-IUODEOHRSA-N 1 2 351.309 2.641 20 5 FFBDLO C[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@H]1c1ccc(F)c(F)c1 ZINC000245665935 510070825 /nfs/dbraw/zinc/07/08/25/510070825.db2.gz ITGZFQXXEUOVAO-IUODEOHRSA-N 1 2 351.309 2.641 20 5 FFBDLO Cn1cc[nH+]c1-c1cccc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c1 ZINC000180779387 510103422 /nfs/dbraw/zinc/10/34/22/510103422.db2.gz QTDGWYNSPAKUQN-UHFFFAOYSA-N 1 2 366.333 2.976 20 5 FFBDLO CCN(Cc1ccccn1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000177656427 510183431 /nfs/dbraw/zinc/18/34/31/510183431.db2.gz LXIUABCSJJDSCA-UHFFFAOYSA-N 1 2 351.366 2.838 20 5 FFBDLO O=C1[C@@H]([N@@H+]2CCC[C@@H](C(F)(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000246045936 510263097 /nfs/dbraw/zinc/26/30/97/510263097.db2.gz UCDAHWZWXIJJCD-RISCZKNCSA-N 1 2 357.332 2.974 20 5 FFBDLO O=C1[C@@H]([N@H+]2CCC[C@@H](C(F)(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000246045936 510263100 /nfs/dbraw/zinc/26/31/00/510263100.db2.gz UCDAHWZWXIJJCD-RISCZKNCSA-N 1 2 357.332 2.974 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC([C@H]2CCCO2)CC1 ZINC000187498232 510301271 /nfs/dbraw/zinc/30/12/71/510301271.db2.gz YLBGEQCTBJQNQB-GOSISDBHSA-N 1 2 370.409 2.812 20 5 FFBDLO NC(=O)[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000171758856 510352266 /nfs/dbraw/zinc/35/22/66/510352266.db2.gz KVSOZYTZOBTKOO-CQSZACIVSA-N 1 2 364.199 2.674 20 5 FFBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000184690251 510464804 /nfs/dbraw/zinc/46/48/04/510464804.db2.gz LALGRBJELRQVHL-HNNXBMFYSA-N 1 2 356.426 2.941 20 5 FFBDLO COc1cc(C(=O)NCCCCNc2cccc[nH+]2)cc([N+](=O)[O-])c1C ZINC000191278517 510583679 /nfs/dbraw/zinc/58/36/79/510583679.db2.gz HDMQMHUCZGKICZ-UHFFFAOYSA-N 1 2 358.398 2.929 20 5 FFBDLO Cc1cc(=O)n2nc(C[NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)sc2n1 ZINC000181831207 510615355 /nfs/dbraw/zinc/61/53/55/510615355.db2.gz VHJGMWQXEFTRHT-LLVKDONJSA-N 1 2 359.411 2.527 20 5 FFBDLO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000185083297 510674568 /nfs/dbraw/zinc/67/45/68/510674568.db2.gz CKZNUIFIZHFQIM-CYBMUJFWSA-N 1 2 355.441 2.566 20 5 FFBDLO COC(=O)c1cc(NC(=O)Cn2c(C)[nH+]c3ccccc32)cc([N+](=O)[O-])c1 ZINC000172345535 510682516 /nfs/dbraw/zinc/68/25/16/510682516.db2.gz NXZGPUVGIJLNTB-UHFFFAOYSA-N 1 2 368.349 2.678 20 5 FFBDLO Cc1ccc(C[N@H+](CCO)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000181976145 510688196 /nfs/dbraw/zinc/68/81/96/510688196.db2.gz SHOZZGGKIAJOEJ-UHFFFAOYSA-N 1 2 368.393 2.948 20 5 FFBDLO Cc1ccc(C[N@@H+](CCO)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000181976145 510688199 /nfs/dbraw/zinc/68/81/99/510688199.db2.gz SHOZZGGKIAJOEJ-UHFFFAOYSA-N 1 2 368.393 2.948 20 5 FFBDLO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000195345219 510795533 /nfs/dbraw/zinc/79/55/33/510795533.db2.gz UPHCADLUCHGZQQ-MRXNPFEDSA-N 1 2 359.430 2.605 20 5 FFBDLO Cc1cccc(NC(=O)C[N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1C ZINC000178856523 510806618 /nfs/dbraw/zinc/80/66/18/510806618.db2.gz SATLADNKPXRQBK-GOSISDBHSA-N 1 2 357.410 2.816 20 5 FFBDLO Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1C ZINC000178856523 510806623 /nfs/dbraw/zinc/80/66/23/510806623.db2.gz SATLADNKPXRQBK-GOSISDBHSA-N 1 2 357.410 2.816 20 5 FFBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000182265214 510839123 /nfs/dbraw/zinc/83/91/23/510839123.db2.gz UQFQFMYJEFHDEA-CQSZACIVSA-N 1 2 367.405 2.874 20 5 FFBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000182265214 510839125 /nfs/dbraw/zinc/83/91/25/510839125.db2.gz UQFQFMYJEFHDEA-CQSZACIVSA-N 1 2 367.405 2.874 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2c2ccncc2)cc1 ZINC000182270696 510839506 /nfs/dbraw/zinc/83/95/06/510839506.db2.gz AECVFCODIGLJOF-KRWDZBQOSA-N 1 2 361.423 2.601 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2c2ccncc2)cc1 ZINC000182270696 510839511 /nfs/dbraw/zinc/83/95/11/510839511.db2.gz AECVFCODIGLJOF-KRWDZBQOSA-N 1 2 361.423 2.601 20 5 FFBDLO CS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000282246943 510900992 /nfs/dbraw/zinc/90/09/92/510900992.db2.gz QFMICYYMBFHNPD-OAHLLOKOSA-N 1 2 357.431 2.565 20 5 FFBDLO CS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000282246943 510900996 /nfs/dbraw/zinc/90/09/96/510900996.db2.gz QFMICYYMBFHNPD-OAHLLOKOSA-N 1 2 357.431 2.565 20 5 FFBDLO O=C(C[NH+]1CCC(c2cn[nH]c2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000364629678 510981551 /nfs/dbraw/zinc/98/15/51/510981551.db2.gz IVWOYFVXNUESEI-UHFFFAOYSA-N 1 2 363.805 2.789 20 5 FFBDLO O=[N+]([O-])c1cc(Br)cnc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000361818111 511100397 /nfs/dbraw/zinc/10/03/97/511100397.db2.gz XVURGSCQZPALSH-LLVKDONJSA-N 1 2 352.192 2.790 20 5 FFBDLO COc1cc[nH+]cc1CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000297939161 511117027 /nfs/dbraw/zinc/11/70/27/511117027.db2.gz JYXSJZPGFWJSGZ-UHFFFAOYSA-N 1 2 356.382 2.873 20 5 FFBDLO NC(=O)c1ccc(NCc2cc[nH+]c(N3CCCCC3)c2)c([N+](=O)[O-])c1 ZINC000298718260 511385905 /nfs/dbraw/zinc/38/59/05/511385905.db2.gz MXPCFQYIVIDBJJ-UHFFFAOYSA-N 1 2 355.398 2.691 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000280267129 511399680 /nfs/dbraw/zinc/39/96/80/511399680.db2.gz CUQWAJLFTUYSIV-KDOFPFPSSA-N 1 2 350.415 2.762 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000280267129 511399683 /nfs/dbraw/zinc/39/96/83/511399683.db2.gz CUQWAJLFTUYSIV-KDOFPFPSSA-N 1 2 350.415 2.762 20 5 FFBDLO COc1cc(C[N@@H+]2C[C@]3(CCOC3)OC(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000280309366 511416109 /nfs/dbraw/zinc/41/61/09/511416109.db2.gz GFQKYMYERYGSHA-KRWDZBQOSA-N 1 2 354.378 2.512 20 5 FFBDLO COc1cc(C[N@H+]2C[C@]3(CCOC3)OC(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000280309366 511416111 /nfs/dbraw/zinc/41/61/11/511416111.db2.gz GFQKYMYERYGSHA-KRWDZBQOSA-N 1 2 354.378 2.512 20 5 FFBDLO CC(C)(CCc1nc([C@H]2C[N@H+](Cc3ccccc3)CCO2)no1)[N+](=O)[O-] ZINC000295776422 511511996 /nfs/dbraw/zinc/51/19/96/511511996.db2.gz CDAUEEOSLIJTBB-OAHLLOKOSA-N 1 2 360.414 2.631 20 5 FFBDLO CC(C)(CCc1nc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1)[N+](=O)[O-] ZINC000295776422 511512000 /nfs/dbraw/zinc/51/20/00/511512000.db2.gz CDAUEEOSLIJTBB-OAHLLOKOSA-N 1 2 360.414 2.631 20 5 FFBDLO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000280734242 511581416 /nfs/dbraw/zinc/58/14/16/511581416.db2.gz JAZVZCHPURHKJD-CYBMUJFWSA-N 1 2 361.423 2.929 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)c1 ZINC000299404704 511624052 /nfs/dbraw/zinc/62/40/52/511624052.db2.gz ZZPSTLRKCMNRFI-UHFFFAOYSA-N 1 2 359.382 2.896 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(N3CCCCC3)[nH+]c2)n1 ZINC000281058323 511705159 /nfs/dbraw/zinc/70/51/59/511705159.db2.gz YKNIRGLUASOBHU-UHFFFAOYSA-N 1 2 371.397 2.774 20 5 FFBDLO CCn1nc(C)c([N+](=O)[O-])c1N1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000281338623 511809271 /nfs/dbraw/zinc/80/92/71/511809271.db2.gz BIAGRAXHDKJMKI-UHFFFAOYSA-N 1 2 352.398 2.868 20 5 FFBDLO CCOCC[C@@H](O)C[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284710031 511834793 /nfs/dbraw/zinc/83/47/93/511834793.db2.gz IZBSZDMPVZHNQW-LLVKDONJSA-N 1 2 373.247 2.503 20 5 FFBDLO CCOCC[C@@H](O)C[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284710031 511834798 /nfs/dbraw/zinc/83/47/98/511834798.db2.gz IZBSZDMPVZHNQW-LLVKDONJSA-N 1 2 373.247 2.503 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(Cc2noc(C[N@H+](C)[C@@H]3CCSC3)n2)c1 ZINC000350906916 511905108 /nfs/dbraw/zinc/90/51/08/511905108.db2.gz PFQICVALUQETFN-GFCCVEGCSA-N 1 2 364.427 2.515 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(Cc2noc(C[N@@H+](C)[C@@H]3CCSC3)n2)c1 ZINC000350906916 511905113 /nfs/dbraw/zinc/90/51/13/511905113.db2.gz PFQICVALUQETFN-GFCCVEGCSA-N 1 2 364.427 2.515 20 5 FFBDLO COc1cc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)ccc1[N+](=O)[O-] ZINC000351024320 511931427 /nfs/dbraw/zinc/93/14/27/511931427.db2.gz KEMSVCGSQJTMAS-IUODEOHRSA-N 1 2 360.370 2.579 20 5 FFBDLO COc1cc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)ccc1[N+](=O)[O-] ZINC000351024320 511931431 /nfs/dbraw/zinc/93/14/31/511931431.db2.gz KEMSVCGSQJTMAS-IUODEOHRSA-N 1 2 360.370 2.579 20 5 FFBDLO C[C@@H]1COCC[C@@H]1c1noc(-c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC000351125080 511960398 /nfs/dbraw/zinc/96/03/98/511960398.db2.gz QMOWSBZDOVCOCD-YPMHNXCESA-N 1 2 355.354 2.971 20 5 FFBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1c1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000281940972 512020258 /nfs/dbraw/zinc/02/02/58/512020258.db2.gz IUSDNVGOCXNVOO-HNNXBMFYSA-N 1 2 357.414 2.902 20 5 FFBDLO Cc1nc(NC[C@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000297192414 512056840 /nfs/dbraw/zinc/05/68/40/512056840.db2.gz QSFZKFBLYHAJEO-SMDDNHRTSA-N 1 2 363.443 2.629 20 5 FFBDLO Cc1nc(NC[C@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000297192414 512056847 /nfs/dbraw/zinc/05/68/47/512056847.db2.gz QSFZKFBLYHAJEO-SMDDNHRTSA-N 1 2 363.443 2.629 20 5 FFBDLO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378079973 512580759 /nfs/dbraw/zinc/58/07/59/512580759.db2.gz SHIGAOPXNGZDGT-UHFFFAOYSA-N 1 2 369.425 2.938 20 5 FFBDLO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378079973 512580762 /nfs/dbraw/zinc/58/07/62/512580762.db2.gz SHIGAOPXNGZDGT-UHFFFAOYSA-N 1 2 369.425 2.938 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000378262312 512663605 /nfs/dbraw/zinc/66/36/05/512663605.db2.gz DLYUNPWFQUBOJE-JTQLQIEISA-N 1 2 368.315 2.977 20 5 FFBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000374378301 512801819 /nfs/dbraw/zinc/80/18/19/512801819.db2.gz BFJQUACGTPGMCU-OLZOCXBDSA-N 1 2 360.439 2.825 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411958967 512890566 /nfs/dbraw/zinc/89/05/66/512890566.db2.gz XWFLUKIOMIXELO-NVXWUHKLSA-N 1 2 355.394 2.650 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411958967 512890569 /nfs/dbraw/zinc/89/05/69/512890569.db2.gz XWFLUKIOMIXELO-NVXWUHKLSA-N 1 2 355.394 2.650 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000374715414 512968586 /nfs/dbraw/zinc/96/85/86/512968586.db2.gz KZWCSXPSFVXSFM-UHFFFAOYSA-N 1 2 358.398 2.799 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000374825207 513022474 /nfs/dbraw/zinc/02/24/74/513022474.db2.gz CIHNPEKOGBZVAE-ZDUSSCGKSA-N 1 2 358.398 2.806 20 5 FFBDLO CO[C@@H]1[C@@H](C)[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1(C)C ZINC000450423621 513188352 /nfs/dbraw/zinc/18/83/52/513188352.db2.gz XRAXBBPTEMQNKL-KNXALSJPSA-N 1 2 358.398 2.570 20 5 FFBDLO C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCO[C@H]1C1CC1 ZINC000450685566 513304018 /nfs/dbraw/zinc/30/40/18/513304018.db2.gz TZYBLOSLOPHOOL-HKUYNNGSSA-N 1 2 370.409 2.716 20 5 FFBDLO CCN1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@@H]1c1[nH]cc[nH+]1 ZINC000413270715 513559813 /nfs/dbraw/zinc/55/98/13/513559813.db2.gz RLKGWPADAPSRTE-GFCCVEGCSA-N 1 2 370.335 2.615 20 5 FFBDLO COC(=O)[C@H]1CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1C ZINC000425441877 513568536 /nfs/dbraw/zinc/56/85/36/513568536.db2.gz IVANHQGRBZKEFA-GWCFXTLKSA-N 1 2 371.231 2.988 20 5 FFBDLO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1C ZINC000425441877 513568545 /nfs/dbraw/zinc/56/85/45/513568545.db2.gz IVANHQGRBZKEFA-GWCFXTLKSA-N 1 2 371.231 2.988 20 5 FFBDLO CC(C)(C)OC(=O)CCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447807959 513576370 /nfs/dbraw/zinc/57/63/70/513576370.db2.gz SICTUUCRMJSMET-UHFFFAOYSA-N 1 2 365.430 2.571 20 5 FFBDLO CC(C)(CCCO)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447814475 513579332 /nfs/dbraw/zinc/57/93/32/513579332.db2.gz ZUXFHMOSEVCCAS-UHFFFAOYSA-N 1 2 351.447 2.638 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)c1 ZINC000435584794 513626481 /nfs/dbraw/zinc/62/64/81/513626481.db2.gz QJLVSLRWCJMRAP-UXHICEINSA-N 1 2 353.422 2.993 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)c1 ZINC000435584794 513626492 /nfs/dbraw/zinc/62/64/92/513626492.db2.gz QJLVSLRWCJMRAP-UXHICEINSA-N 1 2 353.422 2.993 20 5 FFBDLO O=[N+]([O-])c1ccc(NCC2([NH+]3CCOCC3)CCOCC2)c(Cl)c1 ZINC000413408535 513641058 /nfs/dbraw/zinc/64/10/58/513641058.db2.gz SPRSLBPFNMRJEW-UHFFFAOYSA-N 1 2 355.822 2.542 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3C[C@@H](c4ccccc4)[C@](F)(CO)C3)nc2c1 ZINC000451280561 513649010 /nfs/dbraw/zinc/64/90/10/513649010.db2.gz HFMJJJSIVLHQJH-HNAYVOBHSA-N 1 2 370.384 2.771 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3C[C@@H](c4ccccc4)[C@](F)(CO)C3)nc2c1 ZINC000451280561 513649017 /nfs/dbraw/zinc/64/90/17/513649017.db2.gz HFMJJJSIVLHQJH-HNAYVOBHSA-N 1 2 370.384 2.771 20 5 FFBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000430429276 513650433 /nfs/dbraw/zinc/65/04/33/513650433.db2.gz INKRASNWVXZYQE-UHFFFAOYSA-N 1 2 353.382 2.881 20 5 FFBDLO CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000451550063 513825823 /nfs/dbraw/zinc/82/58/23/513825823.db2.gz QRSSJHWLZHWWPA-GFCCVEGCSA-N 1 2 358.807 2.647 20 5 FFBDLO CCN(CC)c1ccc(CNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c[nH+]1 ZINC000431717145 513978120 /nfs/dbraw/zinc/97/81/20/513978120.db2.gz XELYNJQMFMDDKV-UHFFFAOYSA-N 1 2 372.425 2.840 20 5 FFBDLO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000451948147 514086689 /nfs/dbraw/zinc/08/66/89/514086689.db2.gz SUMRRSHIFVDMSU-PRHODGIISA-N 1 2 370.818 2.737 20 5 FFBDLO CC(C)OCCOC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000451948880 514088040 /nfs/dbraw/zinc/08/80/40/514088040.db2.gz AEVGDRYLDBBBAQ-UHFFFAOYSA-N 1 2 362.430 2.877 20 5 FFBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])Nc1cccc(CN2CCOCC2)[nH+]1 ZINC000449204581 514112602 /nfs/dbraw/zinc/11/26/02/514112602.db2.gz MEDNFJGGHRQFDQ-HNNXBMFYSA-N 1 2 356.426 2.865 20 5 FFBDLO COc1ccc(N2CC[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)nc1 ZINC000452051936 514163817 /nfs/dbraw/zinc/16/38/17/514163817.db2.gz ARUZRMQJJJTOEC-UHFFFAOYSA-N 1 2 362.817 2.974 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCCC[C@@H]3[C@@H](O)C(F)(F)F)nc2c1 ZINC000444658830 514286950 /nfs/dbraw/zinc/28/69/50/514286950.db2.gz GKLLGSMPCKPWQS-TZMCWYRMSA-N 1 2 358.320 2.749 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCCC[C@@H]3[C@@H](O)C(F)(F)F)nc2c1 ZINC000444658830 514286958 /nfs/dbraw/zinc/28/69/58/514286958.db2.gz GKLLGSMPCKPWQS-TZMCWYRMSA-N 1 2 358.320 2.749 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H](c4nnc(C5CC5)[nH]4)C3)nc2c1 ZINC000444678113 514291722 /nfs/dbraw/zinc/29/17/22/514291722.db2.gz WALGZPIZKDAPIQ-GFCCVEGCSA-N 1 2 367.413 2.846 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H](c4nnc(C5CC5)[nH]4)C3)nc2c1 ZINC000444678113 514291729 /nfs/dbraw/zinc/29/17/29/514291729.db2.gz WALGZPIZKDAPIQ-GFCCVEGCSA-N 1 2 367.413 2.846 20 5 FFBDLO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1F ZINC000427930898 514347810 /nfs/dbraw/zinc/34/78/10/514347810.db2.gz SWQQZXKOZIOGLC-UHFFFAOYSA-N 1 2 370.340 2.864 20 5 FFBDLO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427927429 514347867 /nfs/dbraw/zinc/34/78/67/514347867.db2.gz ZJLKKZAWZFAQGE-MRXNPFEDSA-N 1 2 359.382 2.850 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000444935929 514371943 /nfs/dbraw/zinc/37/19/43/514371943.db2.gz IMBRDMISKXEXOP-AWEZNQCLSA-N 1 2 358.354 2.684 20 5 FFBDLO O=C(N=c1cc(C2CCCC2)[nH][nH]1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449893674 514413606 /nfs/dbraw/zinc/41/36/06/514413606.db2.gz ZSIALKVIGYGCDE-UHFFFAOYSA-N 1 2 366.381 2.835 20 5 FFBDLO CC(C)[C@H]1C[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCO1 ZINC000452807106 514501800 /nfs/dbraw/zinc/50/18/00/514501800.db2.gz FYXNQEGNFJGFFF-KBXCAEBGSA-N 1 2 372.425 2.962 20 5 FFBDLO CCO[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000452856480 514520315 /nfs/dbraw/zinc/52/03/15/514520315.db2.gz JVVQYAMAZUKRDL-GUYCJALGSA-N 1 2 358.398 2.668 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH+]2CC(C3CCCCC3)C2)cc1 ZINC000453014375 514599827 /nfs/dbraw/zinc/59/98/27/514599827.db2.gz KJJRQMDZOAAGCH-UHFFFAOYSA-N 1 2 352.456 2.881 20 5 FFBDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000475348301 514631015 /nfs/dbraw/zinc/63/10/15/514631015.db2.gz KYAAUTOPYKPXQO-ZDUSSCGKSA-N 1 2 363.849 2.861 20 5 FFBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000453573777 514693710 /nfs/dbraw/zinc/69/37/10/514693710.db2.gz HRYYLPGJIZTLFL-UHFFFAOYSA-N 1 2 355.373 2.932 20 5 FFBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1C)CCC2 ZINC000479713908 514696738 /nfs/dbraw/zinc/69/67/38/514696738.db2.gz HATVLQKORXYSQM-HNNXBMFYSA-N 1 2 357.414 2.785 20 5 FFBDLO Cc1cc[nH+]cc1N1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000466600093 514704269 /nfs/dbraw/zinc/70/42/69/514704269.db2.gz WGBHIBPPTNPCTJ-UHFFFAOYSA-N 1 2 360.801 2.914 20 5 FFBDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000475757792 514797002 /nfs/dbraw/zinc/79/70/02/514797002.db2.gz UZGJULRZTZMMFX-CYBMUJFWSA-N 1 2 363.849 2.861 20 5 FFBDLO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@@H+](Cc2ccccc2)C1 ZINC000456326214 515094195 /nfs/dbraw/zinc/09/41/95/515094195.db2.gz GLIKNIOOYBZELR-OAHLLOKOSA-N 1 2 369.421 2.895 20 5 FFBDLO Cc1ccncc1CN(C)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000480851432 515108648 /nfs/dbraw/zinc/10/86/48/515108648.db2.gz FZBQJJYGLPYQET-UHFFFAOYSA-N 1 2 356.426 2.767 20 5 FFBDLO CCN(CC)C(=O)C1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000509328627 515126125 /nfs/dbraw/zinc/12/61/25/515126125.db2.gz SQLJIZQCADEQSV-UHFFFAOYSA-N 1 2 355.385 2.953 20 5 FFBDLO Cc1ccc(C)c(S(=O)(=O)NCc2cn3c(cccc3C)[nH+]2)c1[N+](=O)[O-] ZINC000481009731 515171065 /nfs/dbraw/zinc/17/10/65/515171065.db2.gz GNZOIHFUIGQWPW-UHFFFAOYSA-N 1 2 374.422 2.646 20 5 FFBDLO CNc1c(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)cccc1[N+](=O)[O-] ZINC000462770328 515231828 /nfs/dbraw/zinc/23/18/28/515231828.db2.gz VGXNRXABTNXBLK-UHFFFAOYSA-N 1 2 372.400 2.734 20 5 FFBDLO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000486095401 515331523 /nfs/dbraw/zinc/33/15/23/515331523.db2.gz ODLOHJLZZLYBDE-SNVBAGLBSA-N 1 2 350.325 2.545 20 5 FFBDLO Cc1ccn2cc(CNS(=O)(=O)c3c(C)cc([N+](=O)[O-])cc3C)[nH+]c2c1 ZINC000481983174 515535622 /nfs/dbraw/zinc/53/56/22/515535622.db2.gz QZNCXGIBCAGRJK-UHFFFAOYSA-N 1 2 374.422 2.646 20 5 FFBDLO CCc1ccc([C@@H]([NH2+]CC(=O)NCC(F)F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000482065874 515562969 /nfs/dbraw/zinc/56/29/69/515562969.db2.gz DWCPOBWNMMFNAJ-KRWDZBQOSA-N 1 2 367.352 2.811 20 5 FFBDLO CCOc1cc(C[NH2+][C@H](C)c2nnnn2-c2ccccc2)ccc1[N+](=O)[O-] ZINC000492897081 515575325 /nfs/dbraw/zinc/57/53/25/515575325.db2.gz WXSUWUXEKIVWCZ-CYBMUJFWSA-N 1 2 368.397 2.820 20 5 FFBDLO COc1cc(C[N@H+](C)Cc2nc(-c3cccnc3)no2)ccc1[N+](=O)[O-] ZINC000492970993 515582071 /nfs/dbraw/zinc/58/20/71/515582071.db2.gz CWCAHBJTGKWJBG-UHFFFAOYSA-N 1 2 355.354 2.680 20 5 FFBDLO COc1cc(C[N@@H+](C)Cc2nc(-c3cccnc3)no2)ccc1[N+](=O)[O-] ZINC000492970993 515582079 /nfs/dbraw/zinc/58/20/79/515582079.db2.gz CWCAHBJTGKWJBG-UHFFFAOYSA-N 1 2 355.354 2.680 20 5 FFBDLO Cc1ccc2[nH+]c(CNc3c(Br)cncc3[N+](=O)[O-])cn2c1 ZINC000500271278 515651082 /nfs/dbraw/zinc/65/10/82/515651082.db2.gz BIUFVLCQGUXIBL-UHFFFAOYSA-N 1 2 362.187 2.742 20 5 FFBDLO CC(C)(C)OC(=O)[C@]1(C)CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000459595760 515679315 /nfs/dbraw/zinc/67/93/15/515679315.db2.gz XKCDOOMRBJDFPJ-GOSISDBHSA-N 1 2 363.414 2.587 20 5 FFBDLO CC(C)(C)OC(=O)[C@]1(C)CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000459595760 515679323 /nfs/dbraw/zinc/67/93/23/515679323.db2.gz XKCDOOMRBJDFPJ-GOSISDBHSA-N 1 2 363.414 2.587 20 5 FFBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000505900313 515717503 /nfs/dbraw/zinc/71/75/03/515717503.db2.gz YOOVGWOGTVNMTJ-ZDUSSCGKSA-N 1 2 360.439 2.886 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(C[NH+](C)C)cs2)c1 ZINC000457317547 515805486 /nfs/dbraw/zinc/80/54/86/515805486.db2.gz SGMYANXGKUPTMF-UHFFFAOYSA-N 1 2 350.400 2.764 20 5 FFBDLO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000469425484 515811637 /nfs/dbraw/zinc/81/16/37/515811637.db2.gz BLGPBEDVTIIDOT-AWEZNQCLSA-N 1 2 352.350 2.765 20 5 FFBDLO CN(CCCn1cc[nH+]c1)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000487670670 515939201 /nfs/dbraw/zinc/93/92/01/515939201.db2.gz CZHRYZQCAGIKOP-UHFFFAOYSA-N 1 2 359.430 2.846 20 5 FFBDLO CN(Cc1[nH+]ccn1C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501096676 515976941 /nfs/dbraw/zinc/97/69/41/515976941.db2.gz WNZPWOCFDRRCKZ-UHFFFAOYSA-N 1 2 368.191 2.755 20 5 FFBDLO CC(C)(C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1[N+](=O)[O-] ZINC000488392851 516212917 /nfs/dbraw/zinc/21/29/17/516212917.db2.gz RVQGXRMJXOTCLD-AWEZNQCLSA-N 1 2 354.410 2.663 20 5 FFBDLO C[NH+](C)CCCOc1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000512671946 516319821 /nfs/dbraw/zinc/31/98/21/516319821.db2.gz FFDIDJPANSRLTC-UHFFFAOYSA-N 1 2 359.382 2.883 20 5 FFBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000557625822 516344297 /nfs/dbraw/zinc/34/42/97/516344297.db2.gz LVUAZADGLMICAT-SJKOYZFVSA-N 1 2 358.398 2.974 20 5 FFBDLO CCOC(=O)CC[C@@H](C)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000535536719 516388655 /nfs/dbraw/zinc/38/86/55/516388655.db2.gz DEVSWGHVNZMTMV-GFCCVEGCSA-N 1 2 358.398 2.926 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c1 ZINC000557706969 516396025 /nfs/dbraw/zinc/39/60/25/516396025.db2.gz VARQAMXYESLTST-UHFFFAOYSA-N 1 2 367.365 2.886 20 5 FFBDLO CCOc1cc(NCc2ccc(N3CCOCC3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000531386426 516443639 /nfs/dbraw/zinc/44/36/39/516443639.db2.gz HBOLWSADRAGFCB-UHFFFAOYSA-N 1 2 358.398 2.837 20 5 FFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000517856893 516470133 /nfs/dbraw/zinc/47/01/33/516470133.db2.gz SHBJAROXCIXLFD-CQSZACIVSA-N 1 2 370.409 2.944 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000523733919 516560858 /nfs/dbraw/zinc/56/08/58/516560858.db2.gz XKSDSWCNSOOOSO-UHFFFAOYSA-N 1 2 372.406 2.567 20 5 FFBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000523760766 516571036 /nfs/dbraw/zinc/57/10/36/516571036.db2.gz KLOMBSAPHQOYGE-UHFFFAOYSA-N 1 2 351.366 2.780 20 5 FFBDLO C[C@@H]1CCCN(c2ccc(C(=O)N3CC(n4cc[nH+]c4)C3)cc2[N+](=O)[O-])C1 ZINC000524398544 516709947 /nfs/dbraw/zinc/70/99/47/516709947.db2.gz YRANXWWXIKWGPL-CQSZACIVSA-N 1 2 369.425 2.725 20 5 FFBDLO CCOc1cc(C[NH+]2CCC(N3CCOC[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000518995792 516849999 /nfs/dbraw/zinc/84/99/99/516849999.db2.gz IYGUWBZKTBYZSC-HNNXBMFYSA-N 1 2 363.458 2.679 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1 ZINC000514091245 516859553 /nfs/dbraw/zinc/85/95/53/516859553.db2.gz YLFXYQQBKLMLHO-GOSISDBHSA-N 1 2 366.377 2.936 20 5 FFBDLO Nc1nccc(C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)c1[N+](=O)[O-] ZINC000548741849 517183255 /nfs/dbraw/zinc/18/32/55/517183255.db2.gz JZUBMGBIIKTBJW-UHFFFAOYSA-N 1 2 351.322 2.842 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCCO[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000559498761 517289133 /nfs/dbraw/zinc/28/91/33/517289133.db2.gz ZGVQMEBWBIIAGU-QGZVFWFLSA-N 1 2 365.430 2.679 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+]2CCCO[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000559498761 517289138 /nfs/dbraw/zinc/28/91/38/517289138.db2.gz ZGVQMEBWBIIAGU-QGZVFWFLSA-N 1 2 365.430 2.679 20 5 FFBDLO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000541951867 517306062 /nfs/dbraw/zinc/30/60/62/517306062.db2.gz NBFJNYLFPRWGEU-NSHDSACASA-N 1 2 366.324 2.939 20 5 FFBDLO Cc1[nH+]c2ccccc2n1CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000515344754 517309445 /nfs/dbraw/zinc/30/94/45/517309445.db2.gz YVYVRBJLNZZVKJ-UHFFFAOYSA-N 1 2 374.422 2.540 20 5 FFBDLO Cc1c(Br)c(=O)n(Cc2[nH]c3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000542217003 517443300 /nfs/dbraw/zinc/44/33/00/517443300.db2.gz ZSYPDKVEYRRIAD-UHFFFAOYSA-N 1 2 363.171 2.752 20 5 FFBDLO CCc1nocc1CN(C)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000549222707 517464046 /nfs/dbraw/zinc/46/40/46/517464046.db2.gz BKJONEQAUYWGHF-UHFFFAOYSA-N 1 2 360.414 2.614 20 5 FFBDLO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ncn(-c3ccccc3)n2)n1 ZINC000559916158 517485319 /nfs/dbraw/zinc/48/53/19/517485319.db2.gz ROXCDLKWBYTJIW-HOTGVXAUSA-N 1 2 367.413 2.646 20 5 FFBDLO O=C(NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000563115162 517669833 /nfs/dbraw/zinc/66/98/33/517669833.db2.gz MRSWHYOSODYUFJ-GOEBONIOSA-N 1 2 373.384 2.563 20 5 FFBDLO COc1c(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000527512813 517719694 /nfs/dbraw/zinc/71/96/94/517719694.db2.gz CFOPWEZRDGGIRG-INIZCTEOSA-N 1 2 366.377 2.856 20 5 FFBDLO Cc1cc(NCc2cccc(CO)c2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000534495654 517912895 /nfs/dbraw/zinc/91/28/95/517912895.db2.gz JQMLCNYBPKCALQ-UHFFFAOYSA-N 1 2 350.378 2.887 20 5 FFBDLO CCCn1ccc(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000560621764 517936707 /nfs/dbraw/zinc/93/67/07/517936707.db2.gz DUMBPYBUIXTLFF-UHFFFAOYSA-N 1 2 356.426 2.764 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000553875121 517946700 /nfs/dbraw/zinc/94/67/00/517946700.db2.gz MAACMJOKFMBIEX-INIZCTEOSA-N 1 2 356.382 2.774 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000553875121 517946713 /nfs/dbraw/zinc/94/67/13/517946713.db2.gz MAACMJOKFMBIEX-INIZCTEOSA-N 1 2 356.382 2.774 20 5 FFBDLO Cc1c(Br)c(N2CC[N@@H+](C)C[C@H]2C(C)C)ncc1[N+](=O)[O-] ZINC000543435188 518088313 /nfs/dbraw/zinc/08/83/13/518088313.db2.gz KSGWHTJNNLRZLE-LBPRGKRZSA-N 1 2 357.252 2.837 20 5 FFBDLO Cc1c(Br)c(N2CC[N@H+](C)C[C@H]2C(C)C)ncc1[N+](=O)[O-] ZINC000543435188 518088317 /nfs/dbraw/zinc/08/83/17/518088317.db2.gz KSGWHTJNNLRZLE-LBPRGKRZSA-N 1 2 357.252 2.837 20 5 FFBDLO CC[N@@H+]1C[C@@H](C)N(c2ncc([N+](=O)[O-])c(C)c2Br)C[C@H]1C ZINC000543435041 518089575 /nfs/dbraw/zinc/08/95/75/518089575.db2.gz BUZFXGKMZPJDNC-NXEZZACHSA-N 1 2 357.252 2.980 20 5 FFBDLO CC[N@H+]1C[C@@H](C)N(c2ncc([N+](=O)[O-])c(C)c2Br)C[C@H]1C ZINC000543435041 518089587 /nfs/dbraw/zinc/08/95/87/518089587.db2.gz BUZFXGKMZPJDNC-NXEZZACHSA-N 1 2 357.252 2.980 20 5 FFBDLO C[C@@H]1C[NH+](C[C@H]2CCCN2CCOc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000557603229 518101747 /nfs/dbraw/zinc/10/17/47/518101747.db2.gz JXEBVYCAEYMYPY-JFIYKMOQSA-N 1 2 363.458 2.547 20 5 FFBDLO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(Cl)cc1 ZINC000531080339 518128883 /nfs/dbraw/zinc/12/88/83/518128883.db2.gz YWJGTSOWDJZJNW-OAHLLOKOSA-N 1 2 363.801 2.987 20 5 FFBDLO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000563801126 518129567 /nfs/dbraw/zinc/12/95/67/518129567.db2.gz VUGJGTVFIXMRQK-UHFFFAOYSA-N 1 2 355.385 2.573 20 5 FFBDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000535197713 518164765 /nfs/dbraw/zinc/16/47/65/518164765.db2.gz UXNPUQSHCSTVKR-CQSZACIVSA-N 1 2 367.409 2.896 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@H](CO)c3ccc(F)cc3)n2)c1 ZINC000567480481 518548714 /nfs/dbraw/zinc/54/87/14/518548714.db2.gz RECBTAIMMIGZDN-OAHLLOKOSA-N 1 2 358.329 2.607 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC([C@H](O)C(F)(F)F)CC3)nc2c1 ZINC000576423907 518585714 /nfs/dbraw/zinc/58/57/14/518585714.db2.gz LDULLNMOEVAENN-AWEZNQCLSA-N 1 2 358.320 2.606 20 5 FFBDLO NC(=O)c1cc(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000587263288 518677559 /nfs/dbraw/zinc/67/75/59/518677559.db2.gz QIZGKCMAOULBRT-UHFFFAOYSA-N 1 2 365.393 2.954 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCc1ccc2c(c1)CCO2 ZINC000571491177 519119331 /nfs/dbraw/zinc/11/93/31/519119331.db2.gz SCUJHMAHRXPCLH-UHFFFAOYSA-N 1 2 369.421 2.974 20 5 FFBDLO CC(C)[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1(CO)CCC1 ZINC000574560392 519216605 /nfs/dbraw/zinc/21/66/05/519216605.db2.gz ZNFIBCYUFPHLFG-KRWDZBQOSA-N 1 2 372.425 2.698 20 5 FFBDLO Cc1cncc(N(Cc2[nH]cc[nH+]2)C(=O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000583453985 519256492 /nfs/dbraw/zinc/25/64/92/519256492.db2.gz QTCOQGVNLRIAGE-UHFFFAOYSA-N 1 2 367.365 2.634 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)CO ZINC000590656243 519303567 /nfs/dbraw/zinc/30/35/67/519303567.db2.gz UGMOUALMVUHVGD-CQSZACIVSA-N 1 2 352.822 2.831 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](NCc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)CO ZINC000590656243 519303572 /nfs/dbraw/zinc/30/35/72/519303572.db2.gz UGMOUALMVUHVGD-CQSZACIVSA-N 1 2 352.822 2.831 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000581051797 519495665 /nfs/dbraw/zinc/49/56/65/519495665.db2.gz HCTHDLIWAVMVCE-APWZRJJASA-N 1 2 361.442 2.797 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000569358158 519509381 /nfs/dbraw/zinc/50/93/81/519509381.db2.gz LNYGIYADVKAROU-INIZCTEOSA-N 1 2 371.393 2.695 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000569358158 519509393 /nfs/dbraw/zinc/50/93/93/519509393.db2.gz LNYGIYADVKAROU-INIZCTEOSA-N 1 2 371.393 2.695 20 5 FFBDLO O=c1c([N+](=O)[O-])cc2c(n1Cc1c[nH+]cn1Cc1ccccc1)CCCC2 ZINC000581072150 519510031 /nfs/dbraw/zinc/51/00/31/519510031.db2.gz UADFFKDHVWOWOY-UHFFFAOYSA-N 1 2 364.405 2.928 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](c2cc(C)ccn2)C1 ZINC000572420586 519603563 /nfs/dbraw/zinc/60/35/63/519603563.db2.gz DDYNJMOUILZXLL-CQSZACIVSA-N 1 2 370.409 2.735 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](c2cc(C)ccn2)C1 ZINC000572420586 519603569 /nfs/dbraw/zinc/60/35/69/519603569.db2.gz DDYNJMOUILZXLL-CQSZACIVSA-N 1 2 370.409 2.735 20 5 FFBDLO CC1CC(n2nnc3c2C[N@H+](CCOc2ccccc2[N+](=O)[O-])CC3)C1 ZINC000602986957 520007946 /nfs/dbraw/zinc/00/79/46/520007946.db2.gz WGYGBEYZOROKTB-UHFFFAOYSA-N 1 2 357.414 2.594 20 5 FFBDLO CC1CC(n2nnc3c2C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC3)C1 ZINC000602986957 520007954 /nfs/dbraw/zinc/00/79/54/520007954.db2.gz WGYGBEYZOROKTB-UHFFFAOYSA-N 1 2 357.414 2.594 20 5 FFBDLO C[C@@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000594513546 520009598 /nfs/dbraw/zinc/00/95/98/520009598.db2.gz ZSIBVANSCZEMRS-XJKSGUPXSA-N 1 2 374.441 2.985 20 5 FFBDLO Cc1cn2c([nH+]1)CN(Cc1ccc(Br)cc1[N+](=O)[O-])CC2 ZINC000591845628 520060533 /nfs/dbraw/zinc/06/05/33/520060533.db2.gz XWDCRADYEBGEOQ-UHFFFAOYSA-N 1 2 351.204 2.878 20 5 FFBDLO Cc1cccc2[nH+]c(CCNC(=O)NCCc3ccc([N+](=O)[O-])cc3)cn21 ZINC000591913444 520083483 /nfs/dbraw/zinc/08/34/83/520083483.db2.gz NJDXRTNYLUDDRC-UHFFFAOYSA-N 1 2 367.409 2.635 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(N3CCCN(c4cc[nH+]cc4F)CC3)nc2c1 ZINC000603362665 520233876 /nfs/dbraw/zinc/23/38/76/520233876.db2.gz VCXANRGFEVCPPE-UHFFFAOYSA-N 1 2 356.361 2.722 20 5 FFBDLO COc1cc(C[NH2+]Cc2cccc3c2OC(F)(F)O3)c([N+](=O)[O-])cc1O ZINC000595000500 520250664 /nfs/dbraw/zinc/25/06/64/520250664.db2.gz JUOKQAFWRAUDEO-UHFFFAOYSA-N 1 2 368.292 2.920 20 5 FFBDLO C[C@H]1C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC2(CCCC2)O1 ZINC000592192668 520257396 /nfs/dbraw/zinc/25/73/96/520257396.db2.gz JGXCRHUBFCLDTG-WMLDXEAASA-N 1 2 359.426 2.734 20 5 FFBDLO C[C@H]1C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC2(CCCC2)O1 ZINC000592192668 520257403 /nfs/dbraw/zinc/25/74/03/520257403.db2.gz JGXCRHUBFCLDTG-WMLDXEAASA-N 1 2 359.426 2.734 20 5 FFBDLO O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609441559 520312981 /nfs/dbraw/zinc/31/29/81/520312981.db2.gz XIBPVXCJMCLIRQ-SFHVURJKSA-N 1 2 373.384 2.537 20 5 FFBDLO COc1cc(C[NH2+]Cc2cc[nH]n2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000609620515 520383588 /nfs/dbraw/zinc/38/35/88/520383588.db2.gz NDPWELYICBWKHW-UHFFFAOYSA-N 1 2 360.292 2.557 20 5 FFBDLO O=C(NCC1Cc2ccccc2C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000609755764 520422534 /nfs/dbraw/zinc/42/25/34/520422534.db2.gz RZPIUCXGNGMECJ-UHFFFAOYSA-N 1 2 362.389 2.925 20 5 FFBDLO COC(=O)[C@@H](CC(C)(C)C)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000592525151 520438988 /nfs/dbraw/zinc/43/89/88/520438988.db2.gz IOXHXVGLYQMNNK-SWLSCSKDSA-N 1 2 365.430 2.879 20 5 FFBDLO Cc1noc(CN2CCc3c([nH+]cn3-c3ccc(C)cc3)C2)c1[N+](=O)[O-] ZINC000595462211 520487123 /nfs/dbraw/zinc/48/71/23/520487123.db2.gz RXVUZYWUWRVCAI-UHFFFAOYSA-N 1 2 353.382 2.944 20 5 FFBDLO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000598195401 520487179 /nfs/dbraw/zinc/48/71/79/520487179.db2.gz MOMUNYKGTTVLPO-INIZCTEOSA-N 1 2 369.421 2.689 20 5 FFBDLO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000598195401 520487185 /nfs/dbraw/zinc/48/71/85/520487185.db2.gz MOMUNYKGTTVLPO-INIZCTEOSA-N 1 2 369.421 2.689 20 5 FFBDLO CO[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCCC1 ZINC000598395859 520595999 /nfs/dbraw/zinc/59/59/99/520595999.db2.gz VECOHUFCPZVCRU-KRWDZBQOSA-N 1 2 358.398 2.716 20 5 FFBDLO C[C@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000598464074 520629498 /nfs/dbraw/zinc/62/94/98/520629498.db2.gz FXCXHIVNBVZKEN-LURJTMIESA-N 1 2 359.205 2.643 20 5 FFBDLO C[C@H]1CCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@@H]1n1cc[nH+]c1 ZINC000601129363 520649860 /nfs/dbraw/zinc/64/98/60/520649860.db2.gz GUULZDXAKQKZPI-UWVGGRQHSA-N 1 2 358.324 2.631 20 5 FFBDLO Cc1cccn2cc(CNc3c([N+](=O)[O-])c(C(F)(F)F)nn3C)[nH+]c12 ZINC000601135607 520653581 /nfs/dbraw/zinc/65/35/81/520653581.db2.gz HSGAPQKLASGHAJ-UHFFFAOYSA-N 1 2 354.292 2.915 20 5 FFBDLO C[C@@](CO)([NH2+]Cc1ccc(Br)cn1)c1cccc([N+](=O)[O-])c1 ZINC000601148566 520659241 /nfs/dbraw/zinc/65/92/41/520659241.db2.gz CXNCJBGSZXADOG-HNNXBMFYSA-N 1 2 366.215 2.750 20 5 FFBDLO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C(F)(F)F)O1 ZINC000610413095 520673549 /nfs/dbraw/zinc/67/35/49/520673549.db2.gz CHALHPZEQHKJKC-GWCFXTLKSA-N 1 2 361.320 2.575 20 5 FFBDLO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C(F)(F)F)O1 ZINC000610413095 520673556 /nfs/dbraw/zinc/67/35/56/520673556.db2.gz CHALHPZEQHKJKC-GWCFXTLKSA-N 1 2 361.320 2.575 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000595746202 520693880 /nfs/dbraw/zinc/69/38/80/520693880.db2.gz YEUPDYXQWXRJOX-MXWKQRLJSA-N 1 2 355.822 2.524 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](OC(C)C)C2)c([N+](=O)[O-])c1 ZINC000593055281 520710911 /nfs/dbraw/zinc/71/09/11/520710911.db2.gz JBPBHWBQVVBNEK-OAHLLOKOSA-N 1 2 365.430 2.821 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H](OC(C)C)C2)c([N+](=O)[O-])c1 ZINC000593055281 520710915 /nfs/dbraw/zinc/71/09/15/520710915.db2.gz JBPBHWBQVVBNEK-OAHLLOKOSA-N 1 2 365.430 2.821 20 5 FFBDLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595789470 520725491 /nfs/dbraw/zinc/72/54/91/520725491.db2.gz WKRLNAUZLHQKGA-QMTHXVAHSA-N 1 2 361.320 2.575 20 5 FFBDLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595789470 520725499 /nfs/dbraw/zinc/72/54/99/520725499.db2.gz WKRLNAUZLHQKGA-QMTHXVAHSA-N 1 2 361.320 2.575 20 5 FFBDLO COC(=O)c1cnc([C@@H]2CCC[N@@H+](Cc3onc(C)c3[N+](=O)[O-])C2)s1 ZINC000595912350 520816957 /nfs/dbraw/zinc/81/69/57/520816957.db2.gz KBHDNIAAWWCKFP-SNVBAGLBSA-N 1 2 366.399 2.514 20 5 FFBDLO COC(=O)c1cnc([C@@H]2CCC[N@H+](Cc3onc(C)c3[N+](=O)[O-])C2)s1 ZINC000595912350 520816954 /nfs/dbraw/zinc/81/69/54/520816954.db2.gz KBHDNIAAWWCKFP-SNVBAGLBSA-N 1 2 366.399 2.514 20 5 FFBDLO CC(C)O[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000593239861 520849617 /nfs/dbraw/zinc/84/96/17/520849617.db2.gz CELUBGDCKDYYFI-HNNXBMFYSA-N 1 2 358.398 2.810 20 5 FFBDLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000601702910 520910296 /nfs/dbraw/zinc/91/02/96/520910296.db2.gz DTNYULSSWOHCBN-GDBMZVCRSA-N 1 2 369.421 2.798 20 5 FFBDLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000601702910 520910298 /nfs/dbraw/zinc/91/02/98/520910298.db2.gz DTNYULSSWOHCBN-GDBMZVCRSA-N 1 2 369.421 2.798 20 5 FFBDLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000601702933 520912303 /nfs/dbraw/zinc/91/23/03/520912303.db2.gz DTNYULSSWOHCBN-ZBFHGGJFSA-N 1 2 369.421 2.798 20 5 FFBDLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000601702933 520912311 /nfs/dbraw/zinc/91/23/11/520912311.db2.gz DTNYULSSWOHCBN-ZBFHGGJFSA-N 1 2 369.421 2.798 20 5 FFBDLO Cn1cc[nH+]c1CN1CCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC000596114223 520920181 /nfs/dbraw/zinc/92/01/81/520920181.db2.gz ARIVSVDOVQDZER-UHFFFAOYSA-N 1 2 369.347 2.669 20 5 FFBDLO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)cc([N+](=O)[O-])c1 ZINC000601730043 520923622 /nfs/dbraw/zinc/92/36/22/520923622.db2.gz UASNYDCMBFOMPO-UHFFFAOYSA-N 1 2 355.394 2.567 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1c2ccccc2CN(C)C1=O ZINC000598941669 520932813 /nfs/dbraw/zinc/93/28/13/520932813.db2.gz ZLTGDMXZSCZWMY-XIKOKIGWSA-N 1 2 355.394 2.967 20 5 FFBDLO CCN(CC)c1ccc(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c[nH+]1 ZINC000593407359 520972831 /nfs/dbraw/zinc/97/28/31/520972831.db2.gz RROZKGWLYHQMBI-UHFFFAOYSA-N 1 2 360.389 2.834 20 5 FFBDLO COc1cc(N2CCC[C@@H]([NH+]3CCOCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596246192 520991994 /nfs/dbraw/zinc/99/19/94/520991994.db2.gz CHJSMZAVJCVTGB-GFCCVEGCSA-N 1 2 355.822 2.558 20 5 FFBDLO O=[N+]([O-])c1ccn(C2CCN(c3nc4ccccc4n4c[nH+]cc34)CC2)n1 ZINC000599073025 521016193 /nfs/dbraw/zinc/01/61/93/521016193.db2.gz JYSJJOWOJGWCGN-UHFFFAOYSA-N 1 2 363.381 2.829 20 5 FFBDLO COCCC1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000599120988 521039863 /nfs/dbraw/zinc/03/98/63/521039863.db2.gz OZPKIRQBQAZZOG-UHFFFAOYSA-N 1 2 363.458 2.680 20 5 FFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000611253539 521060778 /nfs/dbraw/zinc/06/07/78/521060778.db2.gz IIPKFDLIBRGHTQ-AWEZNQCLSA-N 1 2 371.441 2.998 20 5 FFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000611253539 521060787 /nfs/dbraw/zinc/06/07/87/521060787.db2.gz IIPKFDLIBRGHTQ-AWEZNQCLSA-N 1 2 371.441 2.998 20 5 FFBDLO Cc1ccncc1[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000611300727 521088118 /nfs/dbraw/zinc/08/81/18/521088118.db2.gz WSDGZSQXMDAUST-CYBMUJFWSA-N 1 2 351.366 2.975 20 5 FFBDLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NCCc1ccc([N+](=O)[O-])cc1 ZINC000602084077 521132026 /nfs/dbraw/zinc/13/20/26/521132026.db2.gz PLFPQNRQGVLLJV-CYBMUJFWSA-N 1 2 356.304 2.644 20 5 FFBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cncc(F)c1 ZINC000611485468 521181054 /nfs/dbraw/zinc/18/10/54/521181054.db2.gz VVJIKLVSGLZCTE-LLVKDONJSA-N 1 2 355.329 2.806 20 5 FFBDLO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH+](CCc2ccncc2)CC1 ZINC000602197594 521204527 /nfs/dbraw/zinc/20/45/27/521204527.db2.gz GXBRLGDSFIIGBS-UHFFFAOYSA-N 1 2 374.828 2.644 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](OC(F)F)C2)c([N+](=O)[O-])c1 ZINC000611579167 521231692 /nfs/dbraw/zinc/23/16/92/521231692.db2.gz SAQCSHUDVAALKH-ZYHUDNBSSA-N 1 2 373.356 2.634 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](OC(F)F)C2)c([N+](=O)[O-])c1 ZINC000611579167 521231699 /nfs/dbraw/zinc/23/16/99/521231699.db2.gz SAQCSHUDVAALKH-ZYHUDNBSSA-N 1 2 373.356 2.634 20 5 FFBDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-])CC2 ZINC000599543489 521284913 /nfs/dbraw/zinc/28/49/13/521284913.db2.gz QBMLHANAOFJTTJ-HNNXBMFYSA-N 1 2 371.441 2.589 20 5 FFBDLO COCC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000594018459 521352642 /nfs/dbraw/zinc/35/26/42/521352642.db2.gz WUFXPHZFGXVBPQ-GFCCVEGCSA-N 1 2 356.728 2.620 20 5 FFBDLO COCC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000594018459 521352644 /nfs/dbraw/zinc/35/26/44/521352644.db2.gz WUFXPHZFGXVBPQ-GFCCVEGCSA-N 1 2 356.728 2.620 20 5 FFBDLO Cc1cc(NCCNC(=O)Nc2cccc([N+](=O)[O-])c2C)nc(C(C)C)[nH+]1 ZINC000599701384 521413259 /nfs/dbraw/zinc/41/32/59/521413259.db2.gz GLGCXILWBYAUQE-UHFFFAOYSA-N 1 2 372.429 2.781 20 5 FFBDLO Cc1cc(N2CC[NH+]([C@@H]3CCOC3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000616062198 521613180 /nfs/dbraw/zinc/61/31/80/521613180.db2.gz PMSHCYALPQOMNX-GFCCVEGCSA-N 1 2 370.247 2.577 20 5 FFBDLO CCS[C@@H]1CCCC[N@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000153101785 728772261 /nfs/dbraw/zinc/77/22/61/728772261.db2.gz KYBZCCLWUWFJIQ-GFCCVEGCSA-N 1 2 363.439 2.756 20 5 FFBDLO CCS[C@@H]1CCCC[N@@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000153101785 728772267 /nfs/dbraw/zinc/77/22/67/728772267.db2.gz KYBZCCLWUWFJIQ-GFCCVEGCSA-N 1 2 363.439 2.756 20 5 FFBDLO O=[N+]([O-])c1ccc(CS(=O)(=O)Oc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000159003184 728898928 /nfs/dbraw/zinc/89/89/28/728898928.db2.gz OCFMKTNWMZZBBC-UHFFFAOYSA-N 1 2 359.363 2.689 20 5 FFBDLO O=[N+]([O-])c1cc(Br)ccc1C[NH+]1CCC2(CC1)OCCO2 ZINC000162246862 728941567 /nfs/dbraw/zinc/94/15/67/728941567.db2.gz PAYKMCUDRIQMEZ-UHFFFAOYSA-N 1 2 357.204 2.696 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000064242169 728147193 /nfs/dbraw/zinc/14/71/93/728147193.db2.gz OSFZQPUZLMMGSK-UHFFFAOYSA-N 1 2 351.365 2.610 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](CC[S@@](=O)c3ccccc3)CC2)cc1 ZINC000104661697 728502632 /nfs/dbraw/zinc/50/26/32/728502632.db2.gz PVBXGKCHNUENGP-VWLOTQADSA-N 1 2 359.451 2.525 20 5 FFBDLO CCOCCO[C@H]1CC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000138438743 728740651 /nfs/dbraw/zinc/74/06/51/728740651.db2.gz HEHVJIGDSNNFCX-ZDUSSCGKSA-N 1 2 367.427 2.957 20 5 FFBDLO CCOCCO[C@H]1CC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000138438743 728740652 /nfs/dbraw/zinc/74/06/52/728740652.db2.gz HEHVJIGDSNNFCX-ZDUSSCGKSA-N 1 2 367.427 2.957 20 5 FFBDLO C[C@@H](Nc1cccc(Br)c1[N+](=O)[O-])[C@@H](C)[NH+]1CCOCC1 ZINC000856729036 730351033 /nfs/dbraw/zinc/35/10/33/730351033.db2.gz NNKWEZYFMPGRSS-GHMZBOCLSA-N 1 2 358.236 2.878 20 5 FFBDLO Cc1nn(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000863301384 730766006 /nfs/dbraw/zinc/76/60/06/730766006.db2.gz DCMGXCBSOQJSMT-BXUZGUMPSA-N 1 2 352.435 2.665 20 5 FFBDLO Cc1nn(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000863301384 730766008 /nfs/dbraw/zinc/76/60/08/730766008.db2.gz DCMGXCBSOQJSMT-BXUZGUMPSA-N 1 2 352.435 2.665 20 5 FFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC000877815670 732439462 /nfs/dbraw/zinc/43/94/62/732439462.db2.gz NJHFQTJLGYSXHU-MAMYYWIDSA-N 1 2 364.467 2.755 20 5 FFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC000877815670 732439465 /nfs/dbraw/zinc/43/94/65/732439465.db2.gz NJHFQTJLGYSXHU-MAMYYWIDSA-N 1 2 364.467 2.755 20 5 FFBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927767676 738780670 /nfs/dbraw/zinc/78/06/70/738780670.db2.gz DJHRIBJXSAXEAZ-XYOKQWHBSA-N 1 2 360.439 2.833 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@H](CCO)c3cccs3)n2)c1 ZINC000754382789 736154001 /nfs/dbraw/zinc/15/40/01/736154001.db2.gz IEEIQOSCESIUMB-CYBMUJFWSA-N 1 2 360.395 2.920 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000935090259 739893541 /nfs/dbraw/zinc/89/35/41/739893541.db2.gz OPHPEWVZSVPNJA-GFCCVEGCSA-N 1 2 362.817 2.930 20 5 FFBDLO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NCCCCn1cc[nH+]c1 ZINC000906676892 736532393 /nfs/dbraw/zinc/53/23/93/736532393.db2.gz PNXKFGKYOOEIQN-UHFFFAOYSA-N 1 2 350.806 2.974 20 5 FFBDLO COc1c(C)[nH]cc(C[N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])c1=O ZINC000931323512 739245135 /nfs/dbraw/zinc/24/51/35/739245135.db2.gz SVPIEFPMXRHKRL-UHFFFAOYSA-N 1 2 351.790 2.886 20 5 FFBDLO COc1c(C)[nH]cc(C[N@@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])c1=O ZINC000931323512 739245138 /nfs/dbraw/zinc/24/51/38/739245138.db2.gz SVPIEFPMXRHKRL-UHFFFAOYSA-N 1 2 351.790 2.886 20 5 FFBDLO C[C@@H]1C[N@H+](C(C)(C)CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000804338981 740861681 /nfs/dbraw/zinc/86/16/81/740861681.db2.gz LFJYOXIEYIWIHS-TXEJJXNPSA-N 1 2 352.391 2.803 20 5 FFBDLO C[C@@H]1C[N@@H+](C(C)(C)CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000804338981 740861686 /nfs/dbraw/zinc/86/16/86/740861686.db2.gz LFJYOXIEYIWIHS-TXEJJXNPSA-N 1 2 352.391 2.803 20 5 FFBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2ccc(F)c(Cl)c2)CC1 ZINC001005377301 742252865 /nfs/dbraw/zinc/25/28/65/742252865.db2.gz AHTCAHXMJUDXNF-CZUORRHYSA-N 1 2 369.824 2.567 20 5 FFBDLO CC1(C)C[N@H+](CCNc2cccc(Br)c2[N+](=O)[O-])CCO1 ZINC000820645389 742531537 /nfs/dbraw/zinc/53/15/37/742531537.db2.gz SBPVJOSXUXWPMY-UHFFFAOYSA-N 1 2 358.236 2.880 20 5 FFBDLO CC1(C)C[N@@H+](CCNc2cccc(Br)c2[N+](=O)[O-])CCO1 ZINC000820645389 742531539 /nfs/dbraw/zinc/53/15/39/742531539.db2.gz SBPVJOSXUXWPMY-UHFFFAOYSA-N 1 2 358.236 2.880 20 5 FFBDLO CCOC(C[N@H+](CC)Cc1cc([N+](=O)[O-])cc2c1OCOC2)OCC ZINC000846967621 748587005 /nfs/dbraw/zinc/58/70/05/748587005.db2.gz FWVJSEQSFUEVBL-UHFFFAOYSA-N 1 2 354.403 2.682 20 5 FFBDLO CCOC(C[N@@H+](CC)Cc1cc([N+](=O)[O-])cc2c1OCOC2)OCC ZINC000846967621 748587013 /nfs/dbraw/zinc/58/70/13/748587013.db2.gz FWVJSEQSFUEVBL-UHFFFAOYSA-N 1 2 354.403 2.682 20 5 FFBDLO COC(=O)NC1CC[NH+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CC1 ZINC000853626039 750117582 /nfs/dbraw/zinc/11/75/82/750117582.db2.gz MKZRJGCBSOINTM-UHFFFAOYSA-N 1 2 366.399 2.650 20 5 FFBDLO CN(C)c1cc(F)c(C(=O)NCC[NH+]2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000825600522 1013213608 /nfs/dbraw/zinc/21/36/08/1013213608.db2.gz MFRGZTKUZRUJKZ-UHFFFAOYSA-N 1 2 372.400 2.546 20 5 FFBDLO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000840058497 969053722 /nfs/dbraw/zinc/05/37/22/969053722.db2.gz SSWISPDQHPPVEC-NHYWBVRUSA-N 1 2 373.331 2.764 20 5 FFBDLO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000840058497 969053732 /nfs/dbraw/zinc/05/37/32/969053732.db2.gz SSWISPDQHPPVEC-NHYWBVRUSA-N 1 2 373.331 2.764 20 5 FFBDLO CCOc1cccc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000177721192 969316338 /nfs/dbraw/zinc/31/63/38/969316338.db2.gz FKMMSNWNLWRFRT-UHFFFAOYSA-N 1 2 368.349 2.931 20 5 FFBDLO O=[N+]([O-])c1cccc([C@H](O)CN2CC[NH+](Cc3cccc(F)c3)CC2)c1 ZINC000178583518 977390277 /nfs/dbraw/zinc/39/02/77/977390277.db2.gz XKXXCAVMVOUAOH-LJQANCHMSA-N 1 2 359.401 2.585 20 5 FFBDLO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCN(Cc3cccc(F)c3)CC2)c1 ZINC000178583518 977390283 /nfs/dbraw/zinc/39/02/83/977390283.db2.gz XKXXCAVMVOUAOH-LJQANCHMSA-N 1 2 359.401 2.585 20 5 FFBDLO C[NH+](C)Cc1nc(CSCCNc2ccc([N+](=O)[O-])cn2)cs1 ZINC001168104096 979375551 /nfs/dbraw/zinc/37/55/51/979375551.db2.gz CSNMCXWHESXMQP-UHFFFAOYSA-N 1 2 353.473 2.853 20 5 FFBDLO Cn1nccc1[C@H]1CCC[N@@H+]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000905734663 980501769 /nfs/dbraw/zinc/50/17/69/980501769.db2.gz GVXOQCQDQIHAIP-GOSISDBHSA-N 1 2 352.398 2.986 20 5 FFBDLO Cn1nccc1[C@H]1CCC[N@H+]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000905734663 980501773 /nfs/dbraw/zinc/50/17/73/980501773.db2.gz GVXOQCQDQIHAIP-GOSISDBHSA-N 1 2 352.398 2.986 20 5 FFBDLO COc1ccc(C[N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1F ZINC000027363098 981350709 /nfs/dbraw/zinc/35/07/09/981350709.db2.gz YYBAPHFHPKFAJH-UHFFFAOYSA-N 1 2 373.384 2.764 20 5 FFBDLO COc1ccc(C[N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1F ZINC000027363098 981350713 /nfs/dbraw/zinc/35/07/13/981350713.db2.gz YYBAPHFHPKFAJH-UHFFFAOYSA-N 1 2 373.384 2.764 20 5 FFBDLO O=C(OCc1cccc2[nH+]ccn21)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000764685090 984635417 /nfs/dbraw/zinc/63/54/17/984635417.db2.gz DRNPNWSSKMEMMN-UHFFFAOYSA-N 1 2 363.333 2.785 20 5 FFBDLO CC(=O)N1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC12CCCCC2 ZINC000765702639 985319789 /nfs/dbraw/zinc/31/97/89/985319789.db2.gz CBZAVHSNHDRHTC-UHFFFAOYSA-N 1 2 371.441 2.769 20 5 FFBDLO CC(=O)N1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC12CCCCC2 ZINC000765702639 985319794 /nfs/dbraw/zinc/31/97/94/985319794.db2.gz CBZAVHSNHDRHTC-UHFFFAOYSA-N 1 2 371.441 2.769 20 5 FFBDLO Cc1nn(C[N@@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000176496675 987492106 /nfs/dbraw/zinc/49/21/06/987492106.db2.gz UBRSGIHIUWKJJW-MRXNPFEDSA-N 1 2 371.441 2.508 20 5 FFBDLO Cc1nn(C[N@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000176496675 987492108 /nfs/dbraw/zinc/49/21/08/987492108.db2.gz UBRSGIHIUWKJJW-MRXNPFEDSA-N 1 2 371.441 2.508 20 5 FFBDLO CC1CCN(c2ccc(C(=O)OCCn3cc[nH+]c3)cc2[N+](=O)[O-])CC1 ZINC000763108844 989041511 /nfs/dbraw/zinc/04/15/11/989041511.db2.gz MADJEGUKBYRBKP-UHFFFAOYSA-N 1 2 358.398 2.885 20 5 FFBDLO CN(C)c1cc(COC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc[nH+]1 ZINC000763289600 989559898 /nfs/dbraw/zinc/55/98/98/989559898.db2.gz VIWNZVASRWOZDT-UHFFFAOYSA-N 1 2 356.382 2.987 20 5 FFBDLO CC(C)C[C@@H](C)N(C)C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000916984819 990086412 /nfs/dbraw/zinc/08/64/12/990086412.db2.gz RSISWZDPRMQFCB-MRXNPFEDSA-N 1 2 362.474 2.610 20 5 FFBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000919950922 990768395 /nfs/dbraw/zinc/76/83/95/990768395.db2.gz XYRBDMKILJHIDF-IAGOWNOFSA-N 1 2 357.410 2.714 20 5 FFBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000919950922 990768402 /nfs/dbraw/zinc/76/84/02/990768402.db2.gz XYRBDMKILJHIDF-IAGOWNOFSA-N 1 2 357.410 2.714 20 5 FFBDLO CC(C)(NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@H]1CCCCO1 ZINC001132952183 995215430 /nfs/dbraw/zinc/21/54/30/995215430.db2.gz GMKSVHHENWENMV-MRXNPFEDSA-N 1 2 358.398 2.858 20 5 FFBDLO COc1cc(C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)c([N+](=O)[O-])cc1OC ZINC000826730576 1016039532 /nfs/dbraw/zinc/03/95/32/1016039532.db2.gz ORIYDUFMKBDACR-INIZCTEOSA-N 1 2 371.393 2.529 20 5 FFBDLO COc1cc(C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)c([N+](=O)[O-])cc1OC ZINC000826730576 1016039540 /nfs/dbraw/zinc/03/95/40/1016039540.db2.gz ORIYDUFMKBDACR-INIZCTEOSA-N 1 2 371.393 2.529 20 5 FFBDLO CCCCCC[N@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000732286274 998598581 /nfs/dbraw/zinc/59/85/81/998598581.db2.gz PUTMSXYIGOEVNQ-UHFFFAOYSA-N 1 2 360.418 2.831 20 5 FFBDLO CCCCCC[N@@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000732286274 998598586 /nfs/dbraw/zinc/59/85/86/998598586.db2.gz PUTMSXYIGOEVNQ-UHFFFAOYSA-N 1 2 360.418 2.831 20 5 FFBDLO C[C@@H]1c2ncc(COc3cccnc3)n2CC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169023312 1000017927 /nfs/dbraw/zinc/01/79/27/1000017927.db2.gz FHOPUPRXAWOXIR-OWCLPIDISA-N 1 2 371.441 2.679 20 5 FFBDLO C[C@@H]1c2ncc(COc3cccnc3)n2CC[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169023312 1000017928 /nfs/dbraw/zinc/01/79/28/1000017928.db2.gz FHOPUPRXAWOXIR-OWCLPIDISA-N 1 2 371.441 2.679 20 5 FFBDLO O=C(OCc1cccc2[nH+]ccn21)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000770924462 1000954629 /nfs/dbraw/zinc/95/46/29/1000954629.db2.gz HVIPYWCRLGOWEH-UHFFFAOYSA-N 1 2 363.333 2.785 20 5 FFBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000787255703 1001677399 /nfs/dbraw/zinc/67/73/99/1001677399.db2.gz ACBFFOOKSFTHJQ-UHFFFAOYSA-N 1 2 357.414 2.706 20 5 FFBDLO COc1cc(C(=O)OCc2cc[nH+]c(N)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000791573944 1002732827 /nfs/dbraw/zinc/73/28/27/1002732827.db2.gz UWGFRWYHRQPGFN-UHFFFAOYSA-N 1 2 369.280 2.539 20 5 FFBDLO COc1ccc(C[C@@H](C)[NH+]2CCN(CC(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC001170344551 1003132399 /nfs/dbraw/zinc/13/23/99/1003132399.db2.gz BXTTTZPMVLCYQB-GFCCVEGCSA-N 1 2 361.364 2.714 20 5 FFBDLO CNC(=O)c1ccc(NCCc2cn3c(cccc3C)[nH+]2)c([N+](=O)[O-])c1 ZINC001186895364 1003462462 /nfs/dbraw/zinc/46/24/62/1003462462.db2.gz CXCGJAHWMKZZJE-UHFFFAOYSA-N 1 2 353.382 2.565 20 5 FFBDLO CC[N@@H+](CC(=O)Nc1ccccc1OC)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776574965 1005953818 /nfs/dbraw/zinc/95/38/18/1005953818.db2.gz MMOIWOZTVVXKKI-QGZVFWFLSA-N 1 2 373.409 2.597 20 5 FFBDLO CC[N@H+](CC(=O)Nc1ccccc1OC)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776574965 1005953820 /nfs/dbraw/zinc/95/38/20/1005953820.db2.gz MMOIWOZTVVXKKI-QGZVFWFLSA-N 1 2 373.409 2.597 20 5 FFBDLO C[NH+](C)c1ccc(N2CCC(Nc3cc[nH]c(=O)c3[N+](=O)[O-])CC2)cc1 ZINC000853385501 1006380606 /nfs/dbraw/zinc/38/06/06/1006380606.db2.gz ZUAHBILRIJBPLC-UHFFFAOYSA-N 1 2 357.414 2.842 20 5 FFBDLO CC(C)[C@@H]1CCN(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000853498462 1006415416 /nfs/dbraw/zinc/41/54/16/1006415416.db2.gz BOTGARXPTJMATJ-SFHVURJKSA-N 1 2 361.442 2.900 20 5 FFBDLO O=[N+]([O-])c1cn(C[N@@H+]2CCOCC3(CCCC3)C2)nc1-c1ccccn1 ZINC000853506734 1006419171 /nfs/dbraw/zinc/41/91/71/1006419171.db2.gz FMWHQVRVEWILMQ-UHFFFAOYSA-N 1 2 357.414 2.703 20 5 FFBDLO O=[N+]([O-])c1cn(C[N@H+]2CCOCC3(CCCC3)C2)nc1-c1ccccn1 ZINC000853506734 1006419174 /nfs/dbraw/zinc/41/91/74/1006419174.db2.gz FMWHQVRVEWILMQ-UHFFFAOYSA-N 1 2 357.414 2.703 20 5 FFBDLO O=C(NC[C@@H]1CCC2(CCC2)O1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000882551439 1006429497 /nfs/dbraw/zinc/42/94/97/1006429497.db2.gz PSYAZEDETZEFFY-AWEZNQCLSA-N 1 2 356.382 2.612 20 5 FFBDLO Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)nc1 ZINC000858036013 1008283791 /nfs/dbraw/zinc/28/37/91/1008283791.db2.gz GASVTLMMXPAVIV-MRXNPFEDSA-N 1 2 370.409 2.698 20 5 FFBDLO Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)nc1 ZINC000858036013 1008283796 /nfs/dbraw/zinc/28/37/96/1008283796.db2.gz GASVTLMMXPAVIV-MRXNPFEDSA-N 1 2 370.409 2.698 20 5 FFBDLO CC(C)(C)c1ncc2c(n1)CC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000859442799 1008514390 /nfs/dbraw/zinc/51/43/90/1008514390.db2.gz REWXJIZHCWTVBW-KRWDZBQOSA-N 1 2 356.426 2.774 20 5 FFBDLO CC(C)(C)c1ncc2c(n1)CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000859442799 1008514392 /nfs/dbraw/zinc/51/43/92/1008514392.db2.gz REWXJIZHCWTVBW-KRWDZBQOSA-N 1 2 356.426 2.774 20 5 FFBDLO O=C(NC1([C@H]2CCCCO2)CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000887087800 1009013810 /nfs/dbraw/zinc/01/38/10/1009013810.db2.gz YGIYNWWZHJUXQN-MRXNPFEDSA-N 1 2 356.382 2.612 20 5 FFBDLO CC[N@@H+](C/C(Cl)=C\Cl)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001274950533 1011773534 /nfs/dbraw/zinc/77/35/34/1011773534.db2.gz QUBUOYDVQCKVEV-DXIMFJFMSA-N 1 2 364.273 2.531 20 5 FFBDLO CC[N@H+](C/C(Cl)=C\Cl)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001274950533 1011773541 /nfs/dbraw/zinc/77/35/41/1011773541.db2.gz QUBUOYDVQCKVEV-DXIMFJFMSA-N 1 2 364.273 2.531 20 5 FFBDLO CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccc(OCC[NH+](C)C)cc1 ZINC000796363484 1012357442 /nfs/dbraw/zinc/35/74/42/1012357442.db2.gz QNBZAIRJZGXNOX-UHFFFAOYSA-N 1 2 359.382 2.517 20 5 FFBDLO CC[N@H+](C)[C@H](C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000870828970 1012582684 /nfs/dbraw/zinc/58/26/84/1012582684.db2.gz YRJUXCSYTBVLRL-PREGVCBESA-N 1 2 358.398 2.731 20 5 FFBDLO CC[N@@H+](C)[C@H](C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000870828970 1012582692 /nfs/dbraw/zinc/58/26/92/1012582692.db2.gz YRJUXCSYTBVLRL-PREGVCBESA-N 1 2 358.398 2.731 20 5 FFBDLO C[C@@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000925223789 1017667336 /nfs/dbraw/zinc/66/73/36/1017667336.db2.gz DZICIQIXLNBCEV-CQSZACIVSA-N 1 2 355.398 2.583 20 5 FFBDLO Cc1cc(OCC(=O)N2CCC(Nc3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000927078184 1018350367 /nfs/dbraw/zinc/35/03/67/1018350367.db2.gz ICCKJKCPEITCDJ-UHFFFAOYSA-N 1 2 370.409 2.780 20 5 FFBDLO Cc1ccc(OS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000777817559 1019626156 /nfs/dbraw/zinc/62/61/56/1019626156.db2.gz LZOUKJXDCAOAIV-UHFFFAOYSA-N 1 2 373.390 2.916 20 5 FFBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CN1C[C@@H]([C@@H]2CCCO2)CC1=O ZINC000902067023 1019777600 /nfs/dbraw/zinc/77/76/00/1019777600.db2.gz HSUHTNBJYBDHLQ-WMZOPIPTSA-N 1 2 361.442 2.790 20 5 FFBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)CN1C[C@@H]([C@@H]2CCCO2)CC1=O ZINC000902067023 1019777617 /nfs/dbraw/zinc/77/76/17/1019777617.db2.gz HSUHTNBJYBDHLQ-WMZOPIPTSA-N 1 2 361.442 2.790 20 5 FFBDLO Cc1cc(C)[nH+]c(CN2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000930585337 1020092283 /nfs/dbraw/zinc/09/22/83/1020092283.db2.gz OOUHGUIFABHTEH-UHFFFAOYSA-N 1 2 354.410 2.565 20 5 FFBDLO O=C1[C@@H]([NH+]2CCC(c3ncco3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000931444558 1020468865 /nfs/dbraw/zinc/46/88/65/1020468865.db2.gz LAXSWYFMHZMWQV-INIZCTEOSA-N 1 2 356.382 2.568 20 5 FFBDLO Cc1cccc([C@@H](CNc2c(C)cncc2[N+](=O)[O-])[NH+]2CCOCC2)c1 ZINC001116710831 1021370413 /nfs/dbraw/zinc/37/04/13/1021370413.db2.gz OVKBCLDXGBASJL-QGZVFWFLSA-N 1 2 356.426 2.514 20 5 FFBDLO O=C(OCc1ccc(F)cc1[N+](=O)[O-])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001118391339 1022211518 /nfs/dbraw/zinc/21/15/18/1022211518.db2.gz KXQZVGARAMHKFS-GOSISDBHSA-N 1 2 374.368 2.678 20 5 FFBDLO O=C(OCc1ccc(F)cc1[N+](=O)[O-])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001118391339 1022211530 /nfs/dbraw/zinc/21/15/30/1022211530.db2.gz KXQZVGARAMHKFS-GOSISDBHSA-N 1 2 374.368 2.678 20 5 FFBDLO CN(CC(=O)OCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1[N+](=O)[O-] ZINC000754503865 1023478463 /nfs/dbraw/zinc/47/84/63/1023478463.db2.gz HLWJJQCUUIFKBP-UHFFFAOYSA-N 1 2 366.377 2.960 20 5 FFBDLO CN(C)c1cc(COC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc[nH+]1 ZINC000755885722 1023646125 /nfs/dbraw/zinc/64/61/25/1023646125.db2.gz PCGINLDPSFPVOM-UHFFFAOYSA-N 1 2 367.365 2.599 20 5 FFBDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(F)c1 ZINC000759114688 1024474522 /nfs/dbraw/zinc/47/45/22/1024474522.db2.gz YCIIYHCAMMKEFU-UHFFFAOYSA-N 1 2 373.384 2.843 20 5 FFBDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000759155979 1024495999 /nfs/dbraw/zinc/49/59/99/1024495999.db2.gz AWWALFZZVKHZQM-KRWDZBQOSA-N 1 2 367.413 2.690 20 5 FFBDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000759155979 1024496004 /nfs/dbraw/zinc/49/60/04/1024496004.db2.gz AWWALFZZVKHZQM-KRWDZBQOSA-N 1 2 367.413 2.690 20 5 FFBDLO CCc1nnc([C@H](C)OC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)o1 ZINC000838101194 1026209844 /nfs/dbraw/zinc/20/98/44/1026209844.db2.gz IIAWDFMHLWULAS-JTQLQIEISA-N 1 2 357.326 2.644 20 5 FFBDLO Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)c(N(C)C)[nH+]1 ZINC000839311006 1026645486 /nfs/dbraw/zinc/64/54/86/1026645486.db2.gz YIRBUGNXOWQYBM-UHFFFAOYSA-N 1 2 361.377 2.822 20 5 FFBDLO CCCC[C@H]1NC(=O)N(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000840128055 1026969374 /nfs/dbraw/zinc/96/93/74/1026969374.db2.gz UQNCLLFPOKRIRS-NVXWUHKLSA-N 1 2 374.441 2.842 20 5 FFBDLO CCCC[C@H]1NC(=O)N(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000840128055 1026969385 /nfs/dbraw/zinc/96/93/85/1026969385.db2.gz UQNCLLFPOKRIRS-NVXWUHKLSA-N 1 2 374.441 2.842 20 5 FFBDLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)c1c2ccccc2cc2ccccc21 ZINC001153490730 1027905385 /nfs/dbraw/zinc/90/53/85/1027905385.db2.gz LBMRDSNSVHJRMQ-IBGZPJMESA-N 1 2 362.429 2.922 20 5 FFBDLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)c1c2ccccc2cc2ccccc21 ZINC001153490730 1027905400 /nfs/dbraw/zinc/90/54/00/1027905400.db2.gz LBMRDSNSVHJRMQ-IBGZPJMESA-N 1 2 362.429 2.922 20 5 FFBDLO Cc1cccc(CN(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC001161915876 1028360553 /nfs/dbraw/zinc/36/05/53/1028360553.db2.gz JJSAILPTFSWAHZ-UHFFFAOYSA-N 1 2 351.366 2.756 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]C[C@@](C)(O)c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000780764740 1028801427 /nfs/dbraw/zinc/80/14/27/1028801427.db2.gz PROUHYZWULXYIA-FUHWJXTLSA-N 1 2 372.450 2.977 20 5 FFBDLO O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCc1cccc2[nH+]ccn21 ZINC000781835824 1029432176 /nfs/dbraw/zinc/43/21/76/1029432176.db2.gz UIHBCNRINLVSLT-UHFFFAOYSA-N 1 2 370.321 2.827 20 5 FFBDLO Cc1ccc(-c2ccc(N[C@@H]3CCC[N@@H+](C4COC4)C3)nn2)cc1[N+](=O)[O-] ZINC001157586149 1029623396 /nfs/dbraw/zinc/62/33/96/1029623396.db2.gz SNPGIXGHRXEHOB-OAHLLOKOSA-N 1 2 369.425 2.635 20 5 FFBDLO Cc1ccc(-c2ccc(N[C@@H]3CCC[N@H+](C4COC4)C3)nn2)cc1[N+](=O)[O-] ZINC001157586149 1029623399 /nfs/dbraw/zinc/62/33/99/1029623399.db2.gz SNPGIXGHRXEHOB-OAHLLOKOSA-N 1 2 369.425 2.635 20 5 FFBDLO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c2cccnc2O1 ZINC001534464074 1069652990 /nfs/dbraw/zinc/65/29/90/1069652990.db2.gz BLBNOZSXGYPRHH-LBPRGKRZSA-N 1 2 365.349 2.603 20 5 FFBDLO Cc1ncc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(C)n1 ZINC000784286692 1030554105 /nfs/dbraw/zinc/55/41/05/1030554105.db2.gz GUZXMYFFNCMEBR-UHFFFAOYSA-N 1 2 353.338 2.544 20 5 FFBDLO C[C@@H](C(=O)OCC1CN(c2cccc[nH+]2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000842888278 1031023724 /nfs/dbraw/zinc/02/37/24/1031023724.db2.gz JNICQZVECBIECL-GFCCVEGCSA-N 1 2 359.357 2.912 20 5 FFBDLO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cn1ncc3ccc([N+](=O)[O-])cc31)C[C@H](C)O2 ZINC000797418108 1031105298 /nfs/dbraw/zinc/10/52/98/1031105298.db2.gz QYYAJTDNRVIYLS-QWQRMKEZSA-N 1 2 360.414 2.560 20 5 FFBDLO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cn1ncc3ccc([N+](=O)[O-])cc31)C[C@H](C)O2 ZINC000797418108 1031105303 /nfs/dbraw/zinc/10/53/03/1031105303.db2.gz QYYAJTDNRVIYLS-QWQRMKEZSA-N 1 2 360.414 2.560 20 5 FFBDLO O=C(OCc1cc2n(n1)CCCC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000843026834 1031137424 /nfs/dbraw/zinc/13/74/24/1031137424.db2.gz XJJCSNYCKJLJCQ-UHFFFAOYSA-N 1 2 367.365 2.670 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000797516574 1031141159 /nfs/dbraw/zinc/14/11/59/1031141159.db2.gz NSYVFNKFVJTBMY-UHFFFAOYSA-N 1 2 372.381 2.834 20 5 FFBDLO Cc1cc(OCC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000797614552 1031162089 /nfs/dbraw/zinc/16/20/89/1031162089.db2.gz LYFCQVPTRNYFMG-MRXNPFEDSA-N 1 2 360.414 2.710 20 5 FFBDLO CSc1nc(OC2CC(C)(C)[NH+](C)C(C)(C)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227625069 1035644916 /nfs/dbraw/zinc/64/49/16/1035644916.db2.gz NVHYCIDXGHCVAQ-UHFFFAOYSA-N 1 2 356.448 2.843 20 5 FFBDLO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cc2n(n1)CCCC2 ZINC000835459181 1035778470 /nfs/dbraw/zinc/77/84/70/1035778470.db2.gz XWQQSXKDXJESMR-KRWDZBQOSA-N 1 2 370.409 2.559 20 5 FFBDLO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cc2n(n1)CCCC2 ZINC000835459181 1035778472 /nfs/dbraw/zinc/77/84/72/1035778472.db2.gz XWQQSXKDXJESMR-KRWDZBQOSA-N 1 2 370.409 2.559 20 5 FFBDLO Cc1ccnc([N+](=O)[O-])c1O[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001233557355 1036680441 /nfs/dbraw/zinc/68/04/41/1036680441.db2.gz SWUANUUPMUQJFK-WBVHZDCISA-N 1 2 357.410 2.967 20 5 FFBDLO Cc1ccnc([N+](=O)[O-])c1O[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001233557355 1036680446 /nfs/dbraw/zinc/68/04/46/1036680446.db2.gz SWUANUUPMUQJFK-WBVHZDCISA-N 1 2 357.410 2.967 20 5 FFBDLO Cc1cc(C)c(CNC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c[nH+]1 ZINC000836654450 1036729049 /nfs/dbraw/zinc/72/90/49/1036729049.db2.gz PMRNRARCVBUOEC-UHFFFAOYSA-N 1 2 369.425 2.638 20 5 FFBDLO CC[N@@H+]1CCC[C@H](Oc2c(O)ccc3c(=O)c4c(O)cc(O)cc4oc32)C1 ZINC001234750727 1037167120 /nfs/dbraw/zinc/16/71/20/1037167120.db2.gz NNLIUDYLLYSBBN-LBPRGKRZSA-N 1 2 371.389 2.926 20 5 FFBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCn2c(COCC3CC3)nnc2C1 ZINC001254561444 1040800115 /nfs/dbraw/zinc/80/01/15/1040800115.db2.gz KXAVHVIKBVWPBV-AWEZNQCLSA-N 1 2 371.441 2.560 20 5 FFBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCn2c(COCC3CC3)nnc2C1 ZINC001254561444 1040800137 /nfs/dbraw/zinc/80/01/37/1040800137.db2.gz KXAVHVIKBVWPBV-AWEZNQCLSA-N 1 2 371.441 2.560 20 5 FFBDLO C[C@@H](NC(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC001311713018 1043966063 /nfs/dbraw/zinc/96/60/63/1043966063.db2.gz CCADLQOCWMXJMO-CYBMUJFWSA-N 1 2 357.414 2.731 20 5 FFBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC001320328978 1045391577 /nfs/dbraw/zinc/39/15/77/1045391577.db2.gz CRAWXLITCUJFLA-ZDUSSCGKSA-N 1 2 367.409 2.905 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(O)(C(F)F)CC2)c(Br)c1 ZINC001320473614 1045414602 /nfs/dbraw/zinc/41/46/02/1045414602.db2.gz WSXRDZLQNJJVKL-UHFFFAOYSA-N 1 2 365.174 2.949 20 5 FFBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001322655213 1046167231 /nfs/dbraw/zinc/16/72/31/1046167231.db2.gz UUFSEUFNUVVQOI-GOSISDBHSA-N 1 2 354.410 2.661 20 5 FFBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001322655213 1046167236 /nfs/dbraw/zinc/16/72/36/1046167236.db2.gz UUFSEUFNUVVQOI-GOSISDBHSA-N 1 2 354.410 2.661 20 5 FFBDLO Cc1cc(C[N@@H+]2CCCN(c3nc4c(cc3[N+](=O)[O-])CCCC4)CC2)no1 ZINC001325999821 1046716154 /nfs/dbraw/zinc/71/61/54/1046716154.db2.gz QQRACVKISUEMAU-UHFFFAOYSA-N 1 2 371.441 2.877 20 5 FFBDLO Cc1cc(C[N@H+]2CCCN(c3nc4c(cc3[N+](=O)[O-])CCCC4)CC2)no1 ZINC001325999821 1046716168 /nfs/dbraw/zinc/71/61/68/1046716168.db2.gz QQRACVKISUEMAU-UHFFFAOYSA-N 1 2 371.441 2.877 20 5 FFBDLO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001327495349 1047922599 /nfs/dbraw/zinc/92/25/99/1047922599.db2.gz HWFHXSJPYKJVCV-SFHVURJKSA-N 1 2 354.410 2.661 20 5 FFBDLO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001327495349 1047922608 /nfs/dbraw/zinc/92/26/08/1047922608.db2.gz HWFHXSJPYKJVCV-SFHVURJKSA-N 1 2 354.410 2.661 20 5 FFBDLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001332153260 1048270915 /nfs/dbraw/zinc/27/09/15/1048270915.db2.gz NDXYIYOLHJYIQX-GOSISDBHSA-N 1 2 352.394 2.807 20 5 FFBDLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001332153260 1048270928 /nfs/dbraw/zinc/27/09/28/1048270928.db2.gz NDXYIYOLHJYIQX-GOSISDBHSA-N 1 2 352.394 2.807 20 5 FFBDLO O=C(NCCC1SCCS1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001331201419 1049505233 /nfs/dbraw/zinc/50/52/33/1049505233.db2.gz CNGHLSMOTBSAJU-UHFFFAOYSA-N 1 2 364.452 2.707 20 5 FFBDLO O=C1NCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]1CC1CCCCC1 ZINC001307855222 1052357164 /nfs/dbraw/zinc/35/71/64/1052357164.db2.gz QAJJEFNRNBTKCL-SFHVURJKSA-N 1 2 361.442 2.744 20 5 FFBDLO O=C1NCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]1CC1CCCCC1 ZINC001307855222 1052357171 /nfs/dbraw/zinc/35/71/71/1052357171.db2.gz QAJJEFNRNBTKCL-SFHVURJKSA-N 1 2 361.442 2.744 20 5 FFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)[C@@H]1CCCCN(C)C1=O ZINC001307981523 1052374655 /nfs/dbraw/zinc/37/46/55/1052374655.db2.gz AYWQFMWJGXKVTG-SWLSCSKDSA-N 1 2 373.413 2.649 20 5 FFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)[C@@H]1CCCCN(C)C1=O ZINC001307981523 1052374657 /nfs/dbraw/zinc/37/46/57/1052374657.db2.gz AYWQFMWJGXKVTG-SWLSCSKDSA-N 1 2 373.413 2.649 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CON(C(=O)OC(C)(C)C)C1 ZINC001308539440 1052465838 /nfs/dbraw/zinc/46/58/38/1052465838.db2.gz MWCAYPUUCMFZBB-CYBMUJFWSA-N 1 2 367.402 2.634 20 5 FFBDLO Cn1cc[nH+]c1CCC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001347172894 1053687818 /nfs/dbraw/zinc/68/78/18/1053687818.db2.gz IWUXXZCCYLQPJD-AWEZNQCLSA-N 1 2 374.294 2.820 20 5 FFBDLO Cn1c[nH+]cc1C1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC001337894827 1055088410 /nfs/dbraw/zinc/08/84/10/1055088410.db2.gz UEWYGRNDBXBAED-UHFFFAOYSA-N 1 2 369.425 2.922 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)n1 ZINC001351228163 1056145385 /nfs/dbraw/zinc/14/53/85/1056145385.db2.gz XHBQTWWCPHBRFF-UHFFFAOYSA-N 1 2 367.365 2.826 20 5 FFBDLO O=C(Cc1ccc(-n2cc[nH+]c2)cc1)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001452390016 1059214765 /nfs/dbraw/zinc/21/47/65/1059214765.db2.gz RLNRSOCQUYYMJM-UHFFFAOYSA-N 1 2 372.331 2.918 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCS[C@@H]1C(F)(F)F ZINC001528686960 1062006066 /nfs/dbraw/zinc/00/60/66/1062006066.db2.gz OSIVHTAHQWZPIG-CYBMUJFWSA-N 1 2 372.328 2.858 20 5 FFBDLO Cc1cccc([C@@H](O)CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c1 ZINC001465963058 1063279144 /nfs/dbraw/zinc/27/91/44/1063279144.db2.gz INJUHEUIOGKYQS-SFHVURJKSA-N 1 2 366.377 2.552 20 5 FFBDLO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC001471702846 1064764309 /nfs/dbraw/zinc/76/43/09/1064764309.db2.gz ZCNUKPSZMXMAFV-ACADFEMASA-N 1 2 355.369 2.920 20 5 FFBDLO CC[C@H](C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](CC)C1 ZINC001472148042 1064953235 /nfs/dbraw/zinc/95/32/35/1064953235.db2.gz AULVZRMTNMMXPI-BFYDXBDKSA-N 1 2 363.458 2.704 20 5 FFBDLO CC[C@H](C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H](CC)C1 ZINC001472148042 1064953244 /nfs/dbraw/zinc/95/32/44/1064953244.db2.gz AULVZRMTNMMXPI-BFYDXBDKSA-N 1 2 363.458 2.704 20 5 FFBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1nc2c(c(=O)[nH]1)COCC2 ZINC001473124292 1065204782 /nfs/dbraw/zinc/20/47/82/1065204782.db2.gz LYMPEMMVBCIRJV-UHFFFAOYSA-N 1 2 358.398 2.574 20 5 FFBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1nc2c(c(=O)[nH]1)COCC2 ZINC001473124292 1065204794 /nfs/dbraw/zinc/20/47/94/1065204794.db2.gz LYMPEMMVBCIRJV-UHFFFAOYSA-N 1 2 358.398 2.574 20 5 FFBDLO O=C(N[C@@H]1COCc2ccccc21)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001584184257 1079318539 /nfs/dbraw/zinc/31/85/39/1079318539.db2.gz PRQFYIGCRGQOIN-MRXNPFEDSA-N 1 2 364.361 2.782 20 5 FFBDLO Cn1c[nH+]c(CCNC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)c1 ZINC001556945778 1075792266 /nfs/dbraw/zinc/79/22/66/1075792266.db2.gz UOUJMSJWYJWEQY-UHFFFAOYSA-N 1 2 361.160 2.747 20 5 FFBDLO Cc1ncsc1CCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001559600084 1076175893 /nfs/dbraw/zinc/17/58/93/1076175893.db2.gz LHLIDRISSZCABJ-UHFFFAOYSA-N 1 2 374.466 2.750 20 5 FFBDLO Cc1cc(Br)c2c(c1)CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC001560062709 1076219947 /nfs/dbraw/zinc/21/99/47/1076219947.db2.gz FLLOYFSGYORMIX-UHFFFAOYSA-N 1 2 365.231 2.921 20 5 FFBDLO Cc1cc(Br)c2c(c1)CC[N@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC001560062709 1076219951 /nfs/dbraw/zinc/21/99/51/1076219951.db2.gz FLLOYFSGYORMIX-UHFFFAOYSA-N 1 2 365.231 2.921 20 5 FFBDLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001566173051 1076928911 /nfs/dbraw/zinc/92/89/11/1076928911.db2.gz MJXGZAHASUXVHL-SFHVURJKSA-N 1 2 371.441 2.837 20 5 FFBDLO C[N@H+]1CCC[C@H]1c1cc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001566173051 1076928915 /nfs/dbraw/zinc/92/89/15/1076928915.db2.gz MJXGZAHASUXVHL-SFHVURJKSA-N 1 2 371.441 2.837 20 5 FFBDLO O=C(NC[C@@H]1CCc2cccnc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001570808651 1077233080 /nfs/dbraw/zinc/23/30/80/1077233080.db2.gz JVEYNPNNOWFLHH-HNNXBMFYSA-N 1 2 363.377 2.635 20 5 FFBDLO Nc1c(C(=O)NCCn2c[nH+]cc2-c2ccccc2)cc(F)cc1[N+](=O)[O-] ZINC001586320002 1079599689 /nfs/dbraw/zinc/59/96/89/1079599689.db2.gz SVDZIKYTNQVVJJ-UHFFFAOYSA-N 1 2 369.356 2.610 20 5 FFBDLO CC[C@H](C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[N@@H+]1CCO[C@H](CC)C1 ZINC001587037911 1079725117 /nfs/dbraw/zinc/72/51/17/1079725117.db2.gz USTHKUJVNCCSJA-USXIJHARSA-N 1 2 363.458 2.970 20 5 FFBDLO CC[C@H](C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[N@H+]1CCO[C@H](CC)C1 ZINC001587037911 1079725125 /nfs/dbraw/zinc/72/51/25/1079725125.db2.gz USTHKUJVNCCSJA-USXIJHARSA-N 1 2 363.458 2.970 20 5 FFBDLO Cc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)[NH+]2CCOCC2)cc1 ZINC000023973580 211399568 /nfs/dbraw/zinc/39/95/68/211399568.db2.gz HOXZMWPNXCNJPC-IBGZPJMESA-N 1 2 369.421 2.707 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)cnc1N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000153537786 251150471 /nfs/dbraw/zinc/15/04/71/251150471.db2.gz PWEVJWUQHWFIBX-UHFFFAOYSA-N 1 2 372.816 2.613 20 5 FFBDLO Cc1cc(NC(=O)Cn2ccc([N+](=O)[O-])n2)c[nH+]c1N1CCCC[C@H]1C ZINC000272729413 252116588 /nfs/dbraw/zinc/11/65/88/252116588.db2.gz UZNIAKPQOSOYQF-CYBMUJFWSA-N 1 2 358.402 2.512 20 5 FFBDLO COc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1[N+](=O)[O-] ZINC000272801233 252134771 /nfs/dbraw/zinc/13/47/71/252134771.db2.gz HSFVFDZQIKMPQC-UHFFFAOYSA-N 1 2 371.397 2.920 20 5 FFBDLO O=[N+]([O-])c1ccccc1NCCc1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000278158527 256282806 /nfs/dbraw/zinc/28/28/06/256282806.db2.gz UAIADAHYJAXOHM-XJKSGUPXSA-N 1 2 373.413 2.558 20 5 FFBDLO O=[N+]([O-])c1ccccc1NCCc1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000278158527 256282808 /nfs/dbraw/zinc/28/28/08/256282808.db2.gz UAIADAHYJAXOHM-XJKSGUPXSA-N 1 2 373.413 2.558 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H]1[C@@H]1CCCO1 ZINC000285810225 257005813 /nfs/dbraw/zinc/00/58/13/257005813.db2.gz NHHGINKHLQWRSX-WBVHZDCISA-N 1 2 356.382 2.564 20 5 FFBDLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000287088066 257071216 /nfs/dbraw/zinc/07/12/16/257071216.db2.gz WWEYTQOEPYLPHN-INIZCTEOSA-N 1 2 374.397 2.960 20 5 FFBDLO CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000287088066 257071217 /nfs/dbraw/zinc/07/12/17/257071217.db2.gz WWEYTQOEPYLPHN-INIZCTEOSA-N 1 2 374.397 2.960 20 5 FFBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000287824872 257117463 /nfs/dbraw/zinc/11/74/63/257117463.db2.gz KFHNPCZZPVREDM-UHFFFAOYSA-N 1 2 355.385 2.573 20 5 FFBDLO O=C(C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000289472896 257283132 /nfs/dbraw/zinc/28/31/32/257283132.db2.gz HPGWFOLKFHTBCQ-MJGOQNOKSA-N 1 2 371.437 2.517 20 5 FFBDLO O=C(C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000289472896 257283133 /nfs/dbraw/zinc/28/31/33/257283133.db2.gz HPGWFOLKFHTBCQ-MJGOQNOKSA-N 1 2 371.437 2.517 20 5 FFBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000289622296 257290696 /nfs/dbraw/zinc/29/06/96/257290696.db2.gz BLXDHJMXKPFPMM-UHFFFAOYSA-N 1 2 369.425 2.902 20 5 FFBDLO O=C(C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000289747207 257296880 /nfs/dbraw/zinc/29/68/80/257296880.db2.gz YMFXOBOHWWHAIL-HKUYNNGSSA-N 1 2 371.437 2.517 20 5 FFBDLO O=C(C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000289747207 257296881 /nfs/dbraw/zinc/29/68/81/257296881.db2.gz YMFXOBOHWWHAIL-HKUYNNGSSA-N 1 2 371.437 2.517 20 5 FFBDLO Cc1cc(N2CCN(c3ncc([N+](=O)[O-])cc3C)CC2)nc(C(C)C)[nH+]1 ZINC000301164515 258030638 /nfs/dbraw/zinc/03/06/38/258030638.db2.gz QSIKOYCXTMXMEE-UHFFFAOYSA-N 1 2 356.430 2.847 20 5 FFBDLO CCOc1cccc(N2CCN(C3=[NH+]C[C@H](C)S3)CC2)c1[N+](=O)[O-] ZINC000302113176 258088376 /nfs/dbraw/zinc/08/83/76/258088376.db2.gz QIOJIMDFFUKJGP-LBPRGKRZSA-N 1 2 350.444 2.607 20 5 FFBDLO C[C@]1(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000312281938 258115637 /nfs/dbraw/zinc/11/56/37/258115637.db2.gz KDFAVOXBFLPCGP-HXUWFJFHSA-N 1 2 369.421 2.942 20 5 FFBDLO C[C@]1(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000312281938 258115638 /nfs/dbraw/zinc/11/56/38/258115638.db2.gz KDFAVOXBFLPCGP-HXUWFJFHSA-N 1 2 369.421 2.942 20 5 FFBDLO COC(=O)[C@H]1CCCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000301471766 258051266 /nfs/dbraw/zinc/05/12/66/258051266.db2.gz PPQRUYVWCKQLLK-AWEZNQCLSA-N 1 2 356.382 2.750 20 5 FFBDLO Cc1cc(NCc2ccc(C(N)=O)o2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301479019 258051509 /nfs/dbraw/zinc/05/15/09/258051509.db2.gz QTIYCPWFPKSOMR-UHFFFAOYSA-N 1 2 353.338 2.664 20 5 FFBDLO COc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)cc1F ZINC000301626789 258059549 /nfs/dbraw/zinc/05/95/49/258059549.db2.gz HNRRPJOYIUGASM-UHFFFAOYSA-N 1 2 360.389 2.768 20 5 FFBDLO COC(=O)c1cc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc(C)c1[N+](=O)[O-] ZINC000301692492 258063267 /nfs/dbraw/zinc/06/32/67/258063267.db2.gz YHLYJTWEXNKNOS-OAHLLOKOSA-N 1 2 357.366 2.743 20 5 FFBDLO Cc1cc(N[C@H]2CCCC[C@H]2C(N)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301835585 258070032 /nfs/dbraw/zinc/07/00/32/258070032.db2.gz UNAOXZLZKHOJJF-CABCVRRESA-N 1 2 355.398 2.816 20 5 FFBDLO Cc1c(NC(=O)[C@H](C)N(C)Cc2cn3c([nH+]2)CCCC3)cccc1[N+](=O)[O-] ZINC000372996625 512124581 /nfs/dbraw/zinc/12/45/81/512124581.db2.gz LQHSIBSWAKLNHZ-AWEZNQCLSA-N 1 2 371.441 2.895 20 5 FFBDLO COc1ccc(OC)c(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000030592353 132374354 /nfs/dbraw/zinc/37/43/54/132374354.db2.gz MZPPFNZMFFJXKE-UHFFFAOYSA-N 1 2 357.410 2.934 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+](CC3CCCCC3)CC2)s1 ZINC000065792738 506366608 /nfs/dbraw/zinc/36/66/08/506366608.db2.gz WULAQPZPTPIGLM-UHFFFAOYSA-N 1 2 373.500 2.543 20 5 FFBDLO Cc1cc(NCCCNC(=O)C2CCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000410065043 512197002 /nfs/dbraw/zinc/19/70/02/512197002.db2.gz IYDPCJZAZHPDQF-UHFFFAOYSA-N 1 2 369.425 2.500 20 5 FFBDLO O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000054515696 506571329 /nfs/dbraw/zinc/57/13/29/506571329.db2.gz OKMZAACHBSJKDH-SFHVURJKSA-N 1 2 373.384 2.537 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000042800629 506669001 /nfs/dbraw/zinc/66/90/01/506669001.db2.gz CLSDVSLAARFUAU-UHFFFAOYSA-N 1 2 360.757 2.835 20 5 FFBDLO COc1ccc(C(=O)NCCn2c(C)[nH+]c3ccccc32)cc1[N+](=O)[O-] ZINC000010737242 506751162 /nfs/dbraw/zinc/75/11/62/506751162.db2.gz ISZMNEXPSHHHTR-UHFFFAOYSA-N 1 2 354.366 2.692 20 5 FFBDLO COC(=O)c1ccc(C)c(NC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000043783895 506779297 /nfs/dbraw/zinc/77/92/97/506779297.db2.gz KZEFQZALTIFSMT-UHFFFAOYSA-N 1 2 371.393 2.760 20 5 FFBDLO COC(=O)c1ccc(C)c(NC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000043783895 506779299 /nfs/dbraw/zinc/77/92/99/506779299.db2.gz KZEFQZALTIFSMT-UHFFFAOYSA-N 1 2 371.393 2.760 20 5 FFBDLO O=C(Nc1cccc2c1OCCO2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000055950627 506894075 /nfs/dbraw/zinc/89/40/75/506894075.db2.gz RERJPKLETCZNQK-UHFFFAOYSA-N 1 2 366.333 2.804 20 5 FFBDLO C[C@H](NC(=O)NCCc1cn2ccccc2[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000056384740 507001346 /nfs/dbraw/zinc/00/13/46/507001346.db2.gz RFLNZQYKCDNXTC-ZDUSSCGKSA-N 1 2 353.382 2.845 20 5 FFBDLO COCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1ccccc1 ZINC000016585139 507095554 /nfs/dbraw/zinc/09/55/54/507095554.db2.gz SDGWOJSKGKTJED-UHFFFAOYSA-N 1 2 373.409 2.691 20 5 FFBDLO COCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1ccccc1 ZINC000016585139 507095561 /nfs/dbraw/zinc/09/55/61/507095561.db2.gz SDGWOJSKGKTJED-UHFFFAOYSA-N 1 2 373.409 2.691 20 5 FFBDLO Cc1[nH+]c2ccccc2n1CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000017333604 507122083 /nfs/dbraw/zinc/12/20/83/507122083.db2.gz QPQOKFDJFYVFTF-UHFFFAOYSA-N 1 2 374.422 2.540 20 5 FFBDLO C[N@H+](CC(=O)NC(C)(C)C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425387652 513537899 /nfs/dbraw/zinc/53/78/99/513537899.db2.gz VIPIDTGTFRMGLF-UHFFFAOYSA-N 1 2 358.236 2.704 20 5 FFBDLO C[N@@H+](CC(=O)NC(C)(C)C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425387652 513537907 /nfs/dbraw/zinc/53/79/07/513537907.db2.gz VIPIDTGTFRMGLF-UHFFFAOYSA-N 1 2 358.236 2.704 20 5 FFBDLO C[NH+](C)[C@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccsc1 ZINC000026719966 507603764 /nfs/dbraw/zinc/60/37/64/507603764.db2.gz IMYMJUZKRXYXFU-OAHLLOKOSA-N 1 2 369.468 2.775 20 5 FFBDLO CC(=O)c1cccc(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000027208404 507639156 /nfs/dbraw/zinc/63/91/56/507639156.db2.gz QPPBJCYHDQYFLB-KRWDZBQOSA-N 1 2 358.394 2.669 20 5 FFBDLO CC(=O)c1cccc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000027208404 507639161 /nfs/dbraw/zinc/63/91/61/507639161.db2.gz QPPBJCYHDQYFLB-KRWDZBQOSA-N 1 2 358.394 2.669 20 5 FFBDLO Cc1cccc(N2CC[NH+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)c1 ZINC000027382153 507652677 /nfs/dbraw/zinc/65/26/77/507652677.db2.gz XKJHGEYIMARHGD-UHFFFAOYSA-N 1 2 368.437 2.972 20 5 FFBDLO C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@H]1c1ccc(F)cc1 ZINC000371364573 512355186 /nfs/dbraw/zinc/35/51/86/512355186.db2.gz OIDRZNDLRCGBMW-WMLDXEAASA-N 1 2 359.357 2.615 20 5 FFBDLO C[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@H]1c1ccc(F)cc1 ZINC000371364573 512355191 /nfs/dbraw/zinc/35/51/91/512355191.db2.gz OIDRZNDLRCGBMW-WMLDXEAASA-N 1 2 359.357 2.615 20 5 FFBDLO O=C(CNc1ccccc1[N+](=O)[O-])NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000063659670 507755934 /nfs/dbraw/zinc/75/59/34/507755934.db2.gz IJBKUSBUHIAEPQ-UHFFFAOYSA-N 1 2 369.356 2.648 20 5 FFBDLO C[C@H]1c2ccccc2CC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000106862612 507824207 /nfs/dbraw/zinc/82/42/07/507824207.db2.gz ALTKBNXBCOBLIR-LBPRGKRZSA-N 1 2 369.377 2.881 20 5 FFBDLO C[C@H]1c2ccccc2CC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000106862612 507824210 /nfs/dbraw/zinc/82/42/10/507824210.db2.gz ALTKBNXBCOBLIR-LBPRGKRZSA-N 1 2 369.377 2.881 20 5 FFBDLO O=C(C[N@@H+]1CCOC2(CCCCC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000072716725 507846194 /nfs/dbraw/zinc/84/61/94/507846194.db2.gz GLOHYKDRLPDGNU-UHFFFAOYSA-N 1 2 359.426 2.519 20 5 FFBDLO O=C(C[N@H+]1CCOC2(CCCCC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000072716725 507846196 /nfs/dbraw/zinc/84/61/96/507846196.db2.gz GLOHYKDRLPDGNU-UHFFFAOYSA-N 1 2 359.426 2.519 20 5 FFBDLO COc1ccc([C@H](CNc2ncc([N+](=O)[O-])cc2C)[NH+]2CCOCC2)cc1 ZINC000078470405 507873561 /nfs/dbraw/zinc/87/35/61/507873561.db2.gz SHVKVMAUTVDHMP-SFHVURJKSA-N 1 2 372.425 2.792 20 5 FFBDLO CN(C)c1ncccc1N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000079721658 507995307 /nfs/dbraw/zinc/99/53/07/507995307.db2.gz ZGVYRRLMMSXDAM-UHFFFAOYSA-N 1 2 366.381 2.518 20 5 FFBDLO CC(C)c1nc(N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc[nH+]1 ZINC000110203563 508013542 /nfs/dbraw/zinc/01/35/42/508013542.db2.gz SZWBTKCBNKWOTG-UHFFFAOYSA-N 1 2 361.427 2.532 20 5 FFBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075554381 508116663 /nfs/dbraw/zinc/11/66/63/508116663.db2.gz UFAYVPHUQACUNV-AWEZNQCLSA-N 1 2 357.414 2.916 20 5 FFBDLO COCC1CC[NH+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000112352780 508177301 /nfs/dbraw/zinc/17/73/01/508177301.db2.gz PPSUKWCSUPNCCN-NSHDSACASA-N 1 2 355.822 2.934 20 5 FFBDLO COc1ccccc1C[NH+]1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000102760450 508284311 /nfs/dbraw/zinc/28/43/11/508284311.db2.gz XFBGSULCXHLTQH-UHFFFAOYSA-N 1 2 369.421 2.870 20 5 FFBDLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1F ZINC000077323985 508300580 /nfs/dbraw/zinc/30/05/80/508300580.db2.gz CQSDCVFCFPHMHR-UHFFFAOYSA-N 1 2 354.341 2.909 20 5 FFBDLO Cc1cc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c(N)c([N+](=O)[O-])c1 ZINC000086171573 508321594 /nfs/dbraw/zinc/32/15/94/508321594.db2.gz VZIVMDHRQCIQFT-UHFFFAOYSA-N 1 2 370.409 2.570 20 5 FFBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000114779871 508346632 /nfs/dbraw/zinc/34/66/32/508346632.db2.gz UVXKFMZEGODNTN-AWEZNQCLSA-N 1 2 355.398 2.901 20 5 FFBDLO C[C@@H](C(=O)NCc1ccccc1F)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607488 508378933 /nfs/dbraw/zinc/37/89/33/508378933.db2.gz KMYVFBUGDTZEKV-ZDUSSCGKSA-N 1 2 357.385 2.797 20 5 FFBDLO C[C@@H](C(=O)NCc1ccccc1F)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607488 508378936 /nfs/dbraw/zinc/37/89/36/508378936.db2.gz KMYVFBUGDTZEKV-ZDUSSCGKSA-N 1 2 357.385 2.797 20 5 FFBDLO Cc1cc(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000121913354 508447275 /nfs/dbraw/zinc/44/72/75/508447275.db2.gz MIWHISZKNUAADY-LJQANCHMSA-N 1 2 369.421 2.707 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCc4ccccc4[C@H]3CO)n2)c1 ZINC000133876337 508462680 /nfs/dbraw/zinc/46/26/80/508462680.db2.gz VZNOPMIQJSULFG-QGZVFWFLSA-N 1 2 366.377 2.737 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCc4ccccc4[C@H]3CO)n2)c1 ZINC000133876337 508462685 /nfs/dbraw/zinc/46/26/85/508462685.db2.gz VZNOPMIQJSULFG-QGZVFWFLSA-N 1 2 366.377 2.737 20 5 FFBDLO C[C@@H]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000152693258 508495650 /nfs/dbraw/zinc/49/56/50/508495650.db2.gz GPXJJLIIKIWUFA-PBHICJAKSA-N 1 2 357.414 2.627 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC(O)(C(F)(F)F)CC3)o2)cc1 ZINC000128221957 508564663 /nfs/dbraw/zinc/56/46/63/508564663.db2.gz VWHCRPFQUNIKOU-UHFFFAOYSA-N 1 2 372.303 2.534 20 5 FFBDLO C[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)Cn1cc[nH+]c1 ZINC000153601941 508604973 /nfs/dbraw/zinc/60/49/73/508604973.db2.gz VSQNDKSEMHRGSC-MRXNPFEDSA-N 1 2 374.444 2.804 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000153734545 508638014 /nfs/dbraw/zinc/63/80/14/508638014.db2.gz QLQVPMDEVKFHHD-BZNIZROVSA-N 1 2 353.806 2.688 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@]2(CCOC2)C1 ZINC000153734545 508638017 /nfs/dbraw/zinc/63/80/17/508638017.db2.gz QLQVPMDEVKFHHD-BZNIZROVSA-N 1 2 353.806 2.688 20 5 FFBDLO CCC(=O)[C@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000135981384 508662331 /nfs/dbraw/zinc/66/23/31/508662331.db2.gz WLRIHFXHHNIJSE-OAHLLOKOSA-N 1 2 356.382 2.754 20 5 FFBDLO COC(=O)c1cc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)cc([N+](=O)[O-])c1 ZINC000136149967 508674526 /nfs/dbraw/zinc/67/45/26/508674526.db2.gz NACYTOJULIWXPL-UHFFFAOYSA-N 1 2 366.333 2.819 20 5 FFBDLO CC[NH+](CC)[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1Cl ZINC000158942750 508772235 /nfs/dbraw/zinc/77/22/35/508772235.db2.gz CQCHTSYLCMYPGP-CYBMUJFWSA-N 1 2 365.821 2.784 20 5 FFBDLO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])s2)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000150694556 508877526 /nfs/dbraw/zinc/87/75/26/508877526.db2.gz DXPYQSAVYKBUDS-UHFFFAOYSA-N 1 2 358.383 2.810 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@@]3(CO)CCc4ccccc43)o2)cc1 ZINC000132454382 509033932 /nfs/dbraw/zinc/03/39/32/509033932.db2.gz CBIXZRIHPZVNQI-LJQANCHMSA-N 1 2 366.377 2.568 20 5 FFBDLO NC(=O)c1ccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c([N+](=O)[O-])c1 ZINC000155718157 509058819 /nfs/dbraw/zinc/05/88/19/509058819.db2.gz XVHHJPXVKBPGAX-UHFFFAOYSA-N 1 2 370.365 2.767 20 5 FFBDLO NC(=O)c1ccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c([N+](=O)[O-])c1 ZINC000155718157 509058823 /nfs/dbraw/zinc/05/88/23/509058823.db2.gz XVHHJPXVKBPGAX-UHFFFAOYSA-N 1 2 370.365 2.767 20 5 FFBDLO COc1cc(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)ccc1[N+](=O)[O-] ZINC000156025930 509112617 /nfs/dbraw/zinc/11/26/17/509112617.db2.gz KXBWFXMNRFLHOP-UHFFFAOYSA-N 1 2 373.384 2.701 20 5 FFBDLO CCOC(=O)c1ccnc(NC2CCN(c3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000133383100 509153320 /nfs/dbraw/zinc/15/33/20/509153320.db2.gz GLZIPCFWFLFQFR-UHFFFAOYSA-N 1 2 371.397 2.642 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(OC(C)(C)C)CC1 ZINC000162358964 509207265 /nfs/dbraw/zinc/20/72/65/509207265.db2.gz RILUCLIYNDKXGM-UHFFFAOYSA-N 1 2 365.430 2.821 20 5 FFBDLO CC(C)(C)OC(=O)C1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000263900767 509216990 /nfs/dbraw/zinc/21/69/90/509216990.db2.gz ZPFREONRVWYSLH-UHFFFAOYSA-N 1 2 363.414 2.587 20 5 FFBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)N(CC(F)(F)F)c1cc[nH+]cc1 ZINC000185679490 509300895 /nfs/dbraw/zinc/30/08/95/509300895.db2.gz WMRRKJCBOAHJJA-UHFFFAOYSA-N 1 2 361.301 2.747 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2Cc3ccccc3C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000172912944 509306634 /nfs/dbraw/zinc/30/66/34/509306634.db2.gz GYBBXLSPQPQSTB-ZDUSSCGKSA-N 1 2 355.394 2.989 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2Cc3ccccc3C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000172912944 509306637 /nfs/dbraw/zinc/30/66/37/509306637.db2.gz GYBBXLSPQPQSTB-ZDUSSCGKSA-N 1 2 355.394 2.989 20 5 FFBDLO Cc1nsc(N2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)CC2)n1 ZINC000267037802 509319957 /nfs/dbraw/zinc/31/99/57/509319957.db2.gz OELJIENAFJOKAK-UHFFFAOYSA-N 1 2 351.407 2.606 20 5 FFBDLO Cc1nsc(N2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)CC2)n1 ZINC000267037802 509319964 /nfs/dbraw/zinc/31/99/64/509319964.db2.gz OELJIENAFJOKAK-UHFFFAOYSA-N 1 2 351.407 2.606 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1nc(COc2ccccc2)n[nH]1 ZINC000185755077 509339344 /nfs/dbraw/zinc/33/93/44/509339344.db2.gz GIARXUSUVBFAHG-UHFFFAOYSA-N 1 2 353.382 2.890 20 5 FFBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCCCCNc1cccc[nH+]1 ZINC000264148901 509352016 /nfs/dbraw/zinc/35/20/16/509352016.db2.gz ILOZFTUCSDKYIF-UHFFFAOYSA-N 1 2 367.409 2.953 20 5 FFBDLO COc1cccc2c1CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C2 ZINC000182686900 509371584 /nfs/dbraw/zinc/37/15/84/509371584.db2.gz NTYDPMXLLBPKBW-UHFFFAOYSA-N 1 2 355.394 2.909 20 5 FFBDLO COc1cccc2c1CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C2 ZINC000182686900 509371589 /nfs/dbraw/zinc/37/15/89/509371589.db2.gz NTYDPMXLLBPKBW-UHFFFAOYSA-N 1 2 355.394 2.909 20 5 FFBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)n1 ZINC000176288673 509423906 /nfs/dbraw/zinc/42/39/06/509423906.db2.gz ARCZGDLLJWEMNI-AWEZNQCLSA-N 1 2 370.331 2.884 20 5 FFBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)n1 ZINC000176288673 509423910 /nfs/dbraw/zinc/42/39/10/509423910.db2.gz ARCZGDLLJWEMNI-AWEZNQCLSA-N 1 2 370.331 2.884 20 5 FFBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000192246584 509425308 /nfs/dbraw/zinc/42/53/08/509425308.db2.gz WKWGOCYPKDXPEJ-UHFFFAOYSA-N 1 2 363.393 2.627 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179511808 509487886 /nfs/dbraw/zinc/48/78/86/509487886.db2.gz QUAHFHGGTSDDRO-CYBMUJFWSA-N 1 2 357.414 2.979 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179511808 509487891 /nfs/dbraw/zinc/48/78/91/509487891.db2.gz QUAHFHGGTSDDRO-CYBMUJFWSA-N 1 2 357.414 2.979 20 5 FFBDLO Cc1cc(NC(=O)c2ccccc2[N+](=O)[O-])n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000176437423 509509457 /nfs/dbraw/zinc/50/94/57/509509457.db2.gz UWCUZZAQKNLVPD-UHFFFAOYSA-N 1 2 352.354 2.748 20 5 FFBDLO CC[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000179598137 509529284 /nfs/dbraw/zinc/52/92/84/509529284.db2.gz AEOWYZYADXVSRH-OAHLLOKOSA-N 1 2 364.423 2.864 20 5 FFBDLO CC[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000179598137 509529289 /nfs/dbraw/zinc/52/92/89/509529289.db2.gz AEOWYZYADXVSRH-OAHLLOKOSA-N 1 2 364.423 2.864 20 5 FFBDLO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000192498894 509540979 /nfs/dbraw/zinc/54/09/79/509540979.db2.gz CTXDORHTQAOMTO-BETUJISGSA-N 1 2 374.445 2.740 20 5 FFBDLO COc1ccc(-c2ccc(C[NH2+]Cc3nnc4n3CCC4)o2)c([N+](=O)[O-])c1 ZINC000237422917 509644036 /nfs/dbraw/zinc/64/40/36/509644036.db2.gz GJKOFSDAYNQEIS-UHFFFAOYSA-N 1 2 369.381 2.691 20 5 FFBDLO Cc1cccn2cc(CNS(=O)(=O)c3c(C)c(C)ccc3[N+](=O)[O-])[nH+]c12 ZINC000180255096 509836190 /nfs/dbraw/zinc/83/61/90/509836190.db2.gz SZRXUIYCLOKIKM-UHFFFAOYSA-N 1 2 374.422 2.646 20 5 FFBDLO O=C(NCc1cccnc1-n1cc[nH+]c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000170905820 509842508 /nfs/dbraw/zinc/84/25/08/509842508.db2.gz ODPRBKBGCMULME-UHFFFAOYSA-N 1 2 357.757 2.759 20 5 FFBDLO CC[C@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCS1 ZINC000173933521 509861902 /nfs/dbraw/zinc/86/19/02/509861902.db2.gz ZGIJHQZTLMWHTB-AAEUAGOBSA-N 1 2 353.444 2.758 20 5 FFBDLO CC[C@H]1C[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCS1 ZINC000173933521 509861908 /nfs/dbraw/zinc/86/19/08/509861908.db2.gz ZGIJHQZTLMWHTB-AAEUAGOBSA-N 1 2 353.444 2.758 20 5 FFBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCc3cc(Cl)cc(Cl)c3C2)c1 ZINC000177133737 509892049 /nfs/dbraw/zinc/89/20/49/509892049.db2.gz AADNNYMFWOWJCJ-ZDUSSCGKSA-N 1 2 371.224 2.517 20 5 FFBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCc3cc(Cl)cc(Cl)c3C2)c1 ZINC000177133737 509892054 /nfs/dbraw/zinc/89/20/54/509892054.db2.gz AADNNYMFWOWJCJ-ZDUSSCGKSA-N 1 2 371.224 2.517 20 5 FFBDLO C[C@@H]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@H]1n1cc[nH+]c1 ZINC000268413256 509914814 /nfs/dbraw/zinc/91/48/14/509914814.db2.gz ZIOGESBFBOWTCO-RDTXWAMCSA-N 1 2 367.409 2.856 20 5 FFBDLO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)c([N+](=O)[O-])c1 ZINC000193585106 509978457 /nfs/dbraw/zinc/97/84/57/509978457.db2.gz MOGOKJBQMNDMJE-CYBMUJFWSA-N 1 2 373.413 2.535 20 5 FFBDLO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)c([N+](=O)[O-])c1 ZINC000193585106 509978462 /nfs/dbraw/zinc/97/84/62/509978462.db2.gz MOGOKJBQMNDMJE-CYBMUJFWSA-N 1 2 373.413 2.535 20 5 FFBDLO C[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000177307881 509990138 /nfs/dbraw/zinc/99/01/38/509990138.db2.gz SSAREIFDOIMDIZ-JTQLQIEISA-N 1 2 367.203 2.620 20 5 FFBDLO CC(C)[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCS1 ZINC000174261101 510028139 /nfs/dbraw/zinc/02/81/39/510028139.db2.gz GIAGCLNXHDHROQ-INIZCTEOSA-N 1 2 360.439 2.994 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(C)(C)c1ncc(C)s1 ZINC000183938853 510048482 /nfs/dbraw/zinc/04/84/82/510048482.db2.gz CDNXCWVKMMWNAM-UHFFFAOYSA-N 1 2 364.427 2.832 20 5 FFBDLO Cc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(C)n1 ZINC000187267963 510160737 /nfs/dbraw/zinc/16/07/37/510160737.db2.gz GBRYHFPOBHWPKH-UHFFFAOYSA-N 1 2 354.410 2.565 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+](Cc2ccccn2)C2CC2)c([N+](=O)[O-])c1 ZINC000181315210 510353413 /nfs/dbraw/zinc/35/34/13/510353413.db2.gz BXLNDNIMGKKVCT-UHFFFAOYSA-N 1 2 370.409 2.992 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+](Cc2ccccn2)C2CC2)c([N+](=O)[O-])c1 ZINC000181315210 510353417 /nfs/dbraw/zinc/35/34/17/510353417.db2.gz BXLNDNIMGKKVCT-UHFFFAOYSA-N 1 2 370.409 2.992 20 5 FFBDLO COC(=O)COc1ccc(C[N@H+](C)Cc2csc([N+](=O)[O-])c2)cc1 ZINC000187732920 510406915 /nfs/dbraw/zinc/40/69/15/510406915.db2.gz UVMSOINEHLOCAL-UHFFFAOYSA-N 1 2 350.396 2.840 20 5 FFBDLO COC(=O)COc1ccc(C[N@@H+](C)Cc2csc([N+](=O)[O-])c2)cc1 ZINC000187732920 510406920 /nfs/dbraw/zinc/40/69/20/510406920.db2.gz UVMSOINEHLOCAL-UHFFFAOYSA-N 1 2 350.396 2.840 20 5 FFBDLO CSc1cccc(C(=O)NCc2cccnc2-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000188038733 510562389 /nfs/dbraw/zinc/56/23/89/510562389.db2.gz LOWMVXXPKUBQJY-UHFFFAOYSA-N 1 2 369.406 2.827 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)cc1 ZINC000181980227 510690154 /nfs/dbraw/zinc/69/01/54/510690154.db2.gz ZJECYOIFUNXBSD-JKSUJKDBSA-N 1 2 370.496 2.729 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCS[C@@H]3CCCC[C@@H]32)cc1 ZINC000181980227 510690157 /nfs/dbraw/zinc/69/01/57/510690157.db2.gz ZJECYOIFUNXBSD-JKSUJKDBSA-N 1 2 370.496 2.729 20 5 FFBDLO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1nccn1C(F)F ZINC000185180332 510732983 /nfs/dbraw/zinc/73/29/83/510732983.db2.gz IRAAPRXMSTUGJX-UHFFFAOYSA-N 1 2 371.319 2.786 20 5 FFBDLO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1nccn1C(F)F ZINC000185180332 510732989 /nfs/dbraw/zinc/73/29/89/510732989.db2.gz IRAAPRXMSTUGJX-UHFFFAOYSA-N 1 2 371.319 2.786 20 5 FFBDLO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)n1 ZINC000191583802 510737114 /nfs/dbraw/zinc/73/71/14/510737114.db2.gz NWGVCSJNEJQZCH-UHFFFAOYSA-N 1 2 360.761 2.903 20 5 FFBDLO COc1cc(C(=O)NCCc2cn3ccccc3[nH+]2)cc([N+](=O)[O-])c1C ZINC000191648944 510772649 /nfs/dbraw/zinc/77/26/49/510772649.db2.gz BWHKUTNHXZAECH-UHFFFAOYSA-N 1 2 354.366 2.532 20 5 FFBDLO C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000182195060 510808571 /nfs/dbraw/zinc/80/85/71/510808571.db2.gz ZKJBPBINEUYVDU-NSHDSACASA-N 1 2 352.387 2.988 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188544723 510817793 /nfs/dbraw/zinc/81/77/93/510817793.db2.gz AZUMOJFNJIYHIS-UHFFFAOYSA-N 1 2 364.361 2.684 20 5 FFBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000182223315 510821451 /nfs/dbraw/zinc/82/14/51/510821451.db2.gz CXKMATYKHFVEGC-CCEZHUSRSA-N 1 2 352.394 2.742 20 5 FFBDLO C[C@@H](C(=O)Nc1nc2c(s1)C[N@H+](C)CC2)c1ccc([N+](=O)[O-])cc1F ZINC000185418155 510840786 /nfs/dbraw/zinc/84/07/86/510840786.db2.gz MPVWVVSQYGZFBB-SECBINFHSA-N 1 2 364.402 2.921 20 5 FFBDLO C[C@@H](C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2)c1ccc([N+](=O)[O-])cc1F ZINC000185418155 510840788 /nfs/dbraw/zinc/84/07/88/510840788.db2.gz MPVWVVSQYGZFBB-SECBINFHSA-N 1 2 364.402 2.921 20 5 FFBDLO O=C(C[NH+]1CCC(Nc2ncccc2[N+](=O)[O-])CC1)Nc1ccccc1 ZINC000247355735 510858336 /nfs/dbraw/zinc/85/83/36/510858336.db2.gz XRUYAEFOUSQONU-UHFFFAOYSA-N 1 2 355.398 2.505 20 5 FFBDLO O=C(NCCC[NH+]1CCOCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275546206 510905207 /nfs/dbraw/zinc/90/52/07/510905207.db2.gz UHSTXNHJMNADQM-UHFFFAOYSA-N 1 2 365.433 2.546 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H]1[C@H]1CCCC1=O ZINC000270890636 511016221 /nfs/dbraw/zinc/01/62/21/511016221.db2.gz DLHOHPQNPDUXEM-CABCVRRESA-N 1 2 368.393 2.754 20 5 FFBDLO O=C(NCC[N@@H+]1CCCOCC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000278982176 511016291 /nfs/dbraw/zinc/01/62/91/511016291.db2.gz DAODTCNEDAUMQO-UHFFFAOYSA-N 1 2 365.433 2.546 20 5 FFBDLO O=C(NCC[N@H+]1CCCOCC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000278982176 511016295 /nfs/dbraw/zinc/01/62/95/511016295.db2.gz DAODTCNEDAUMQO-UHFFFAOYSA-N 1 2 365.433 2.546 20 5 FFBDLO Cc1cc(C2CC[NH+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)[nH]n1 ZINC000271577608 511251016 /nfs/dbraw/zinc/25/10/16/511251016.db2.gz CXLAQCNMJLXAAM-UHFFFAOYSA-N 1 2 357.414 2.753 20 5 FFBDLO Cc1cc(C2CC[NH+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)n[nH]1 ZINC000271577608 511251021 /nfs/dbraw/zinc/25/10/21/511251021.db2.gz CXLAQCNMJLXAAM-UHFFFAOYSA-N 1 2 357.414 2.753 20 5 FFBDLO Cc1nc(N2CCN(c3nccc4cc([N+](=O)[O-])ccc43)CC2)cc[nH+]1 ZINC000295142022 511297005 /nfs/dbraw/zinc/29/70/05/511297005.db2.gz ZQDSKGSLRNYEKX-UHFFFAOYSA-N 1 2 350.382 2.568 20 5 FFBDLO O=c1[nH]nc([C@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)o1 ZINC000295392061 511388997 /nfs/dbraw/zinc/38/89/97/511388997.db2.gz RALRVNMONJFCDN-VIFPVBQESA-N 1 2 372.303 2.670 20 5 FFBDLO O=c1[nH]nc([C@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)o1 ZINC000295392061 511389001 /nfs/dbraw/zinc/38/90/01/511389001.db2.gz RALRVNMONJFCDN-VIFPVBQESA-N 1 2 372.303 2.670 20 5 FFBDLO Cc1nc(CN2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)cs1 ZINC000298748371 511397329 /nfs/dbraw/zinc/39/73/29/511397329.db2.gz TURXFZWBDYSIAI-UHFFFAOYSA-N 1 2 362.455 2.556 20 5 FFBDLO Cc1cc(NCCCc2nncn2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000298997350 511479154 /nfs/dbraw/zinc/47/91/54/511479154.db2.gz RUIFQOHMMJUUSR-UHFFFAOYSA-N 1 2 353.386 2.533 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000365534307 511510277 /nfs/dbraw/zinc/51/02/77/511510277.db2.gz NJGJSERDFPCVTE-LBPRGKRZSA-N 1 2 364.352 2.826 20 5 FFBDLO CC(=O)c1cc(N2CC[NH+](Cc3cccc(O)c3)CC2)ccc1[N+](=O)[O-] ZINC000283902536 511539312 /nfs/dbraw/zinc/53/93/12/511539312.db2.gz WFEXRWGZZUHVAE-UHFFFAOYSA-N 1 2 355.394 2.825 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)CC1(C)C ZINC000295947145 511564906 /nfs/dbraw/zinc/56/49/06/511564906.db2.gz QOKKWOFQZYMYQE-ZDUSSCGKSA-N 1 2 350.325 2.830 20 5 FFBDLO O=[N+]([O-])c1ccc2oc(-c3nc([C@H]4C[N@@H+](C5CC5)CCO4)no3)cc2c1 ZINC000273865720 511636425 /nfs/dbraw/zinc/63/64/25/511636425.db2.gz MNMZMSHTZJPAEW-OAHLLOKOSA-N 1 2 356.338 2.927 20 5 FFBDLO O=[N+]([O-])c1ccc2oc(-c3nc([C@H]4C[N@H+](C5CC5)CCO4)no3)cc2c1 ZINC000273865720 511636427 /nfs/dbraw/zinc/63/64/27/511636427.db2.gz MNMZMSHTZJPAEW-OAHLLOKOSA-N 1 2 356.338 2.927 20 5 FFBDLO COc1c(C)c[nH+]c(CN(C)c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)c1C ZINC000280924317 511654026 /nfs/dbraw/zinc/65/40/26/511654026.db2.gz GLNJOYDXZDJXKR-UHFFFAOYSA-N 1 2 369.381 2.900 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)[nH]cc2-c1nc([C@@H]2C[N@@H+](C3CC3)CCO2)no1 ZINC000273915335 511654674 /nfs/dbraw/zinc/65/46/74/511654674.db2.gz QIHIOBHMICPXOS-HNNXBMFYSA-N 1 2 355.354 2.662 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)[nH]cc2-c1nc([C@@H]2C[N@H+](C3CC3)CCO2)no1 ZINC000273915335 511654678 /nfs/dbraw/zinc/65/46/78/511654678.db2.gz QIHIOBHMICPXOS-HNNXBMFYSA-N 1 2 355.354 2.662 20 5 FFBDLO O=C(NCc1ccc(-n2cc[nH+]c2)nc1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000363618086 511659973 /nfs/dbraw/zinc/65/99/73/511659973.db2.gz PXZMJFZLKMXGKR-UHFFFAOYSA-N 1 2 357.757 2.759 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCc2cc[nH+]c(N3CCCCC3)c2)n1 ZINC000280980921 511676933 /nfs/dbraw/zinc/67/69/33/511676933.db2.gz NIHFYDOBXVKXMR-UHFFFAOYSA-N 1 2 371.397 2.774 20 5 FFBDLO Cn1c2c([nH+]c1[C@H]1CCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1)CCCC2 ZINC000284547280 511766829 /nfs/dbraw/zinc/76/68/29/511766829.db2.gz HOLNCIKVBYPKBQ-QGZVFWFLSA-N 1 2 370.409 2.890 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000296506911 511771899 /nfs/dbraw/zinc/77/18/99/511771899.db2.gz OIKDQHPUJGMXDC-HNNXBMFYSA-N 1 2 357.414 2.664 20 5 FFBDLO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000296521050 511779415 /nfs/dbraw/zinc/77/94/15/511779415.db2.gz AHXOHPHHEDHEBU-HNNXBMFYSA-N 1 2 360.370 2.522 20 5 FFBDLO CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000296521050 511779420 /nfs/dbraw/zinc/77/94/20/511779420.db2.gz AHXOHPHHEDHEBU-HNNXBMFYSA-N 1 2 360.370 2.522 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC2(CCOCC2)CC1 ZINC000284920465 511929615 /nfs/dbraw/zinc/92/96/15/511929615.db2.gz OMTCADQGMXYVMT-UHFFFAOYSA-N 1 2 370.409 2.813 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000275325752 512104048 /nfs/dbraw/zinc/10/40/48/512104048.db2.gz QLYFPXAEKKAKBU-MLGOLLRUSA-N 1 2 359.386 2.679 20 5 FFBDLO O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000371514248 512443846 /nfs/dbraw/zinc/44/38/46/512443846.db2.gz LMHWSNSVIHEEJO-KRWDZBQOSA-N 1 2 369.425 2.898 20 5 FFBDLO COc1cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c([N+](=O)[O-])cc1F ZINC000369555333 512476071 /nfs/dbraw/zinc/47/60/71/512476071.db2.gz BIOYJAILOHOGFY-SJCJKPOMSA-N 1 2 354.378 2.512 20 5 FFBDLO COc1cc(C[N@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c([N+](=O)[O-])cc1F ZINC000369555333 512476075 /nfs/dbraw/zinc/47/60/75/512476075.db2.gz BIOYJAILOHOGFY-SJCJKPOMSA-N 1 2 354.378 2.512 20 5 FFBDLO COC(=O)c1cc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cs1 ZINC000411170371 512501334 /nfs/dbraw/zinc/50/13/34/512501334.db2.gz WXMBAZBHQKKVQE-UHFFFAOYSA-N 1 2 361.423 2.765 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000375789155 512507705 /nfs/dbraw/zinc/50/77/05/512507705.db2.gz ISFFZUYPVIPFRA-MRXNPFEDSA-N 1 2 359.382 2.898 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000375789155 512507708 /nfs/dbraw/zinc/50/77/08/512507708.db2.gz ISFFZUYPVIPFRA-MRXNPFEDSA-N 1 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CCOC1CC2(C1)CCN(C(=O)c1ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c1)C2 ZINC000451713581 513931616 /nfs/dbraw/zinc/93/16/16/513931616.db2.gz URZZEBQNPUPCSO-UHFFFAOYSA-N 1 2 370.409 2.812 20 5 FFBDLO C[C@H](CC(=O)OC(C)(C)C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448981762 514006473 /nfs/dbraw/zinc/00/64/73/514006473.db2.gz VBEGZIXSRMDDGX-GFCCVEGCSA-N 1 2 374.397 2.631 20 5 FFBDLO CC1(C)CCC[N@H+](CCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000443965272 514084963 /nfs/dbraw/zinc/08/49/63/514084963.db2.gz QRUMXNFRGFGNJS-UHFFFAOYSA-N 1 2 361.489 2.594 20 5 FFBDLO CC1(C)CCC[N@@H+](CCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000443965272 514084971 /nfs/dbraw/zinc/08/49/71/514084971.db2.gz QRUMXNFRGFGNJS-UHFFFAOYSA-N 1 2 361.489 2.594 20 5 FFBDLO CN([C@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000432257140 514139954 /nfs/dbraw/zinc/13/99/54/514139954.db2.gz FQFOVXYQCUKZCT-INIZCTEOSA-N 1 2 372.406 2.728 20 5 FFBDLO COC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000452087960 514183272 /nfs/dbraw/zinc/18/32/72/514183272.db2.gz PYPFSUMKFAPFAZ-GFCCVEGCSA-N 1 2 355.822 2.935 20 5 FFBDLO COC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000452087960 514183276 /nfs/dbraw/zinc/18/32/76/514183276.db2.gz PYPFSUMKFAPFAZ-GFCCVEGCSA-N 1 2 355.822 2.935 20 5 FFBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1Cc1c[nH+]cn1Cc1ccccc1 ZINC000437617510 514195716 /nfs/dbraw/zinc/19/57/16/514195716.db2.gz ZETNIJNUEVYACK-UHFFFAOYSA-N 1 2 362.345 2.636 20 5 FFBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000449554736 514252263 /nfs/dbraw/zinc/25/22/63/514252263.db2.gz PQSIKKDHVFACKC-GPCFVJJQSA-N 1 2 350.440 2.509 20 5 FFBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000449554736 514252268 /nfs/dbraw/zinc/25/22/68/514252268.db2.gz PQSIKKDHVFACKC-GPCFVJJQSA-N 1 2 350.440 2.509 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(NCc3cc[nH+]c(N4CCCCC4)c3)nc2c1 ZINC000427995834 514369891 /nfs/dbraw/zinc/36/98/91/514369891.db2.gz XCPRBRKYGLWMMM-UHFFFAOYSA-N 1 2 352.398 2.890 20 5 FFBDLO COCCC1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCC1 ZINC000450121814 514503010 /nfs/dbraw/zinc/50/30/10/514503010.db2.gz YCVOYRMVSOALFA-UHFFFAOYSA-N 1 2 358.398 2.717 20 5 FFBDLO C[C@H]1CN(c2ccc(Nc3nc4cc([N+](=O)[O-])ccc4[nH]3)c[nH+]2)C[C@H](C)O1 ZINC000450255552 514566821 /nfs/dbraw/zinc/56/68/21/514566821.db2.gz ZNXZZEPGZJHVSZ-RYUDHWBXSA-N 1 2 368.397 2.645 20 5 FFBDLO COCCC(=O)N1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000475158022 514576564 /nfs/dbraw/zinc/57/65/64/514576564.db2.gz WFJIRFKLPZKEPC-UHFFFAOYSA-N 1 2 373.409 2.536 20 5 FFBDLO O=C(C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000488972688 514658082 /nfs/dbraw/zinc/65/80/82/514658082.db2.gz DVSCDGSSIGLMPJ-ZDUSSCGKSA-N 1 2 374.372 2.611 20 5 FFBDLO O=C(C[N@H+]1CCC[C@H](Oc2ncccc2F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000488972688 514658092 /nfs/dbraw/zinc/65/80/92/514658092.db2.gz DVSCDGSSIGLMPJ-ZDUSSCGKSA-N 1 2 374.372 2.611 20 5 FFBDLO CCC(CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])c(C)s1)[NH+]1CCOCC1 ZINC000497888385 514671847 /nfs/dbraw/zinc/67/18/47/514671847.db2.gz CYMVMMNDLOKJMR-HNNXBMFYSA-N 1 2 369.487 2.832 20 5 FFBDLO CCOc1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1OC ZINC000453573427 514694270 /nfs/dbraw/zinc/69/42/70/514694270.db2.gz HANKNDZQWUGIBE-UHFFFAOYSA-N 1 2 372.425 2.719 20 5 FFBDLO COCC[N@H+](Cc1c(C)nn(C)c1C)Cc1ccc([N+](=O)[O-])cc1F ZINC000453622432 514732940 /nfs/dbraw/zinc/73/29/40/514732940.db2.gz WWNAFOODDDDTHN-UHFFFAOYSA-N 1 2 350.394 2.733 20 5 FFBDLO COCC[N@@H+](Cc1c(C)nn(C)c1C)Cc1ccc([N+](=O)[O-])cc1F ZINC000453622432 514732952 /nfs/dbraw/zinc/73/29/52/514732952.db2.gz WWNAFOODDDDTHN-UHFFFAOYSA-N 1 2 350.394 2.733 20 5 FFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(Oc2ccccn2)CC1 ZINC000471149419 514771598 /nfs/dbraw/zinc/77/15/98/514771598.db2.gz VGKIYSVOZFKEDL-CQSZACIVSA-N 1 2 370.409 2.860 20 5 FFBDLO Cc1cc(N2CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000461962777 514806279 /nfs/dbraw/zinc/80/62/79/514806279.db2.gz QCZPFSARYDPUBS-SFHVURJKSA-N 1 2 367.421 2.942 20 5 FFBDLO Cc1cc(N2CC[C@H]([NH+]3CCOCC3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461960626 514806320 /nfs/dbraw/zinc/80/63/20/514806320.db2.gz VZLDGLBUTGBCDH-LBPRGKRZSA-N 1 2 359.348 2.833 20 5 FFBDLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000476023470 514885769 /nfs/dbraw/zinc/88/57/69/514885769.db2.gz PLSGUXSXEVNJLW-CQSZACIVSA-N 1 2 355.394 2.647 20 5 FFBDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000476023470 514885773 /nfs/dbraw/zinc/88/57/73/514885773.db2.gz PLSGUXSXEVNJLW-CQSZACIVSA-N 1 2 355.394 2.647 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](NCc1ncnn1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000503029097 514888469 /nfs/dbraw/zinc/88/84/69/514888469.db2.gz CPRVRKWEBYHWSH-INIZCTEOSA-N 1 2 369.429 2.554 20 5 FFBDLO CN(Cc1[nH+]ccn1C)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000462438727 515052544 /nfs/dbraw/zinc/05/25/44/515052544.db2.gz VDDNXAXBJJEWOZ-UHFFFAOYSA-N 1 2 353.382 2.939 20 5 FFBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2nnnn2CC2CC2)o1 ZINC000472062937 515108066 /nfs/dbraw/zinc/10/80/66/515108066.db2.gz BVEQPDYSRWWAAD-UHFFFAOYSA-N 1 2 354.370 2.541 20 5 FFBDLO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)cc1OC ZINC000456382984 515144589 /nfs/dbraw/zinc/14/45/89/515144589.db2.gz NFCIGZMLDQFGQZ-PWSUYJOCSA-N 1 2 360.370 2.634 20 5 FFBDLO C[C@@H]1C[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)c2[nH+]ccn21 ZINC000456400140 515159212 /nfs/dbraw/zinc/15/92/12/515159212.db2.gz DGDAGWBMMRLBFN-DGCLKSJQSA-N 1 2 367.365 2.541 20 5 FFBDLO C[C@@H]1C[C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000456402651 515161726 /nfs/dbraw/zinc/16/17/26/515161726.db2.gz FLCFLGZZADYXJK-SCZZXKLOSA-N 1 2 352.297 2.829 20 5 FFBDLO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCCCNc1cccc[nH+]1 ZINC000472363809 515246737 /nfs/dbraw/zinc/24/67/37/515246737.db2.gz ZKLVIOFTJBTJMO-UHFFFAOYSA-N 1 2 371.441 2.736 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCOCC2CCCC2)CC1 ZINC000459367799 515503071 /nfs/dbraw/zinc/50/30/71/515503071.db2.gz CRMUFMSUTMZGRO-UHFFFAOYSA-N 1 2 361.442 2.559 20 5 FFBDLO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000505492252 515555509 /nfs/dbraw/zinc/55/55/09/515555509.db2.gz XTLRBQMCROTXAD-QGZVFWFLSA-N 1 2 372.400 2.709 20 5 FFBDLO COCC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccco1 ZINC000505641107 515620333 /nfs/dbraw/zinc/62/03/33/515620333.db2.gz YGTDQFCEBVQCMY-CQSZACIVSA-N 1 2 370.365 2.881 20 5 FFBDLO Cc1[nH+]c2cc(CNC(=O)c3ccc([N+](=O)[O-])n3C)ccc2n1C1CC1 ZINC000510761323 515659371 /nfs/dbraw/zinc/65/93/71/515659371.db2.gz HMAGNGDYLSWORO-UHFFFAOYSA-N 1 2 353.382 2.856 20 5 FFBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000505786620 515672366 /nfs/dbraw/zinc/67/23/66/515672366.db2.gz CUILARIDFIORBE-ZDUSSCGKSA-N 1 2 367.471 2.547 20 5 FFBDLO O=C(C[N@@H+]1CCOC2(C1)CCCCCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000478045352 515680695 /nfs/dbraw/zinc/68/06/95/515680695.db2.gz JWPRJNKUQQIXQP-UHFFFAOYSA-N 1 2 373.453 2.909 20 5 FFBDLO O=C(C[N@H+]1CCOC2(C1)CCCCCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000478045352 515680701 /nfs/dbraw/zinc/68/07/01/515680701.db2.gz JWPRJNKUQQIXQP-UHFFFAOYSA-N 1 2 373.453 2.909 20 5 FFBDLO CCN1CC[NH+]([C@@H](C)CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000486934834 515689344 /nfs/dbraw/zinc/68/93/44/515689344.db2.gz KFVZZYOTYQHCII-LBPRGKRZSA-N 1 2 358.389 2.634 20 5 FFBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000506214570 515819247 /nfs/dbraw/zinc/81/92/47/515819247.db2.gz KBPIGACPMQRRPW-ZDUSSCGKSA-N 1 2 367.471 2.547 20 5 FFBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000506214570 515819254 /nfs/dbraw/zinc/81/92/54/515819254.db2.gz KBPIGACPMQRRPW-ZDUSSCGKSA-N 1 2 367.471 2.547 20 5 FFBDLO O=C(CSc1ccccc1[N+](=O)[O-])NC1CCN(c2cccc[nH+]2)CC1 ZINC000478802311 515967469 /nfs/dbraw/zinc/96/74/69/515967469.db2.gz MYULMRCTZDAUGK-UHFFFAOYSA-N 1 2 372.450 2.867 20 5 FFBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)Cn1ccc3cc([N+](=O)[O-])ccc31)CCC2 ZINC000501078876 515968978 /nfs/dbraw/zinc/96/89/78/515968978.db2.gz REMGSLJQNLGKRE-HNNXBMFYSA-N 1 2 367.409 2.748 20 5 FFBDLO CCOC(=O)C1(COC)CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000483216350 515988955 /nfs/dbraw/zinc/98/89/55/515988955.db2.gz UNEXFRDYQNVZDO-UHFFFAOYSA-N 1 2 354.378 2.526 20 5 FFBDLO CC(C)[C@@H]1OCCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000488060520 516100149 /nfs/dbraw/zinc/10/01/49/516100149.db2.gz IMPBRFSOAQFODH-YJBOKZPZSA-N 1 2 372.425 2.962 20 5 FFBDLO CC[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1[nH]cc[nH+]1 ZINC000474604878 516118194 /nfs/dbraw/zinc/11/81/94/516118194.db2.gz HVQPADKAEGASKT-AWEZNQCLSA-N 1 2 357.414 2.802 20 5 FFBDLO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCc1cn2ccccc2[nH+]1 ZINC000554240980 516339698 /nfs/dbraw/zinc/33/96/98/516339698.db2.gz RDEQLAMVTFYORK-UHFFFAOYSA-N 1 2 353.382 2.627 20 5 FFBDLO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000523312754 516430421 /nfs/dbraw/zinc/43/04/21/516430421.db2.gz GBZIDPQDPYMICQ-UHFFFAOYSA-N 1 2 366.381 2.523 20 5 FFBDLO COc1cc(CN2CCN(c3c[nH+]ccc3C)CC2)c([N+](=O)[O-])cc1F ZINC000535680324 516446227 /nfs/dbraw/zinc/44/62/27/516446227.db2.gz JUJDJUNHGFEMNH-UHFFFAOYSA-N 1 2 360.389 2.768 20 5 FFBDLO CCn1cc([N+](=O)[O-])c(-c2nc(-c3ccc(C)[nH+]c3N3CCCC3)no2)n1 ZINC000561385496 516555023 /nfs/dbraw/zinc/55/50/23/516555023.db2.gz UKTWZVMRWKMRES-UHFFFAOYSA-N 1 2 369.385 2.832 20 5 FFBDLO CC(C)[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1cccnc1 ZINC000544121210 516598865 /nfs/dbraw/zinc/59/88/65/516598865.db2.gz CGAVBMIRYOAFGN-UHFFFAOYSA-N 1 2 363.439 2.674 20 5 FFBDLO CC(C)[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1cccnc1 ZINC000544121210 516598875 /nfs/dbraw/zinc/59/88/75/516598875.db2.gz CGAVBMIRYOAFGN-UHFFFAOYSA-N 1 2 363.439 2.674 20 5 FFBDLO CC1CCN(c2ccc(C(=O)N(C)Cc3[nH]cc[nH+]3)cc2[N+](=O)[O-])CC1 ZINC000523869508 516599129 /nfs/dbraw/zinc/59/91/29/516599129.db2.gz IBFPYFFFBYWONB-UHFFFAOYSA-N 1 2 357.414 2.826 20 5 FFBDLO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000518333616 516616677 /nfs/dbraw/zinc/61/66/77/516616677.db2.gz PVWOQNFCRCKEBD-HNNXBMFYSA-N 1 2 359.386 2.634 20 5 FFBDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@@H+]2Cc2ccc(Cl)cc2[N+](=O)[O-])O1 ZINC000554848174 516663407 /nfs/dbraw/zinc/66/34/07/516663407.db2.gz IVYFSFLNZSEUCR-YVFQKMDQSA-N 1 2 368.817 2.932 20 5 FFBDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@H+]2Cc2ccc(Cl)cc2[N+](=O)[O-])O1 ZINC000554848174 516663413 /nfs/dbraw/zinc/66/34/13/516663413.db2.gz IVYFSFLNZSEUCR-YVFQKMDQSA-N 1 2 368.817 2.932 20 5 FFBDLO CCc1[nH+]c2cc(CNC(=O)c3c([N+](=O)[O-])cnn3C)ccc2n1C1CC1 ZINC000555173618 516817270 /nfs/dbraw/zinc/81/72/70/516817270.db2.gz LTUQSKDAAQJEOX-UHFFFAOYSA-N 1 2 368.397 2.505 20 5 FFBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccc2c(c1)OCCO2 ZINC000551989701 517011131 /nfs/dbraw/zinc/01/11/31/517011131.db2.gz MFIXPANEWUFSQY-UHFFFAOYSA-N 1 2 354.366 2.874 20 5 FFBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccc2c(c1)OCCO2 ZINC000551989701 517011140 /nfs/dbraw/zinc/01/11/40/517011140.db2.gz MFIXPANEWUFSQY-UHFFFAOYSA-N 1 2 354.366 2.874 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]CCOc1ncccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000552062144 517057315 /nfs/dbraw/zinc/05/73/15/517057315.db2.gz NRZXDDKTHOYXEB-INIZCTEOSA-N 1 2 371.372 2.620 20 5 FFBDLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1ccc([N+](=O)[O-])cc1O ZINC000552229332 517152298 /nfs/dbraw/zinc/15/22/98/517152298.db2.gz AFOYEEDRDQZRCA-JOCQHMNTSA-N 1 2 356.382 2.849 20 5 FFBDLO Cc1[nH+]c2ccc(C(=O)N3CCc4c(cccc4[N+](=O)[O-])C3)cc2n1C ZINC000527251394 517594255 /nfs/dbraw/zinc/59/42/55/517594255.db2.gz PPSPZYBBYVCQRU-UHFFFAOYSA-N 1 2 350.378 2.988 20 5 FFBDLO COC(=O)COc1ccc([C@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000549553160 517614626 /nfs/dbraw/zinc/61/46/26/517614626.db2.gz VDOUVATUMLJQCM-LBPRGKRZSA-N 1 2 360.366 2.703 20 5 FFBDLO CN(CC1CCCCC1)C(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000549640048 517645911 /nfs/dbraw/zinc/64/59/11/517645911.db2.gz VANZEISMPMVACT-UHFFFAOYSA-N 1 2 374.485 2.756 20 5 FFBDLO O=C(COc1ccc([N+](=O)[O-])cc1)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000538652332 517704621 /nfs/dbraw/zinc/70/46/21/517704621.db2.gz MMNDISVCHQCWDR-UHFFFAOYSA-N 1 2 352.350 2.680 20 5 FFBDLO Cn1c[nH+]cc1Cc1noc(-c2ccc(OC(F)F)c([N+](=O)[O-])c2)n1 ZINC000546556913 517724080 /nfs/dbraw/zinc/72/40/80/517724080.db2.gz QOIUEHGMTDPUBJ-UHFFFAOYSA-N 1 2 351.269 2.571 20 5 FFBDLO C[C@@H]1COc2ccccc2C[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000542943621 517830661 /nfs/dbraw/zinc/83/06/61/517830661.db2.gz OTUPIKMOGVNUJQ-CQSZACIVSA-N 1 2 367.405 2.767 20 5 FFBDLO C[C@@H]1COc2ccccc2C[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000542943621 517830669 /nfs/dbraw/zinc/83/06/69/517830669.db2.gz OTUPIKMOGVNUJQ-CQSZACIVSA-N 1 2 367.405 2.767 20 5 FFBDLO 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518889274 /nfs/dbraw/zinc/88/92/74/518889274.db2.gz FUUBWJJHCMBBDB-GFCCVEGCSA-N 1 2 374.397 2.561 20 5 FFBDLO Nc1ccc(F)c(NC(=O)CC[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000589305650 518976593 /nfs/dbraw/zinc/97/65/93/518976593.db2.gz URXCCCKVIOPYHX-UHFFFAOYSA-N 1 2 374.372 2.539 20 5 FFBDLO Nc1ccc(F)c(NC(=O)CC[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000589305650 518976600 /nfs/dbraw/zinc/97/66/00/518976600.db2.gz URXCCCKVIOPYHX-UHFFFAOYSA-N 1 2 374.372 2.539 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@H](CO)c3ccc(F)cc3)o2)cc1 ZINC000568682717 519161899 /nfs/dbraw/zinc/16/18/99/519161899.db2.gz ITYHNOVOOAIGMK-OAHLLOKOSA-N 1 2 358.329 2.607 20 5 FFBDLO O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000583515913 519289805 /nfs/dbraw/zinc/28/98/05/519289805.db2.gz CGJDKZHEUYPDSS-UHFFFAOYSA-N 1 2 370.409 2.853 20 5 FFBDLO COC(=O)COc1ccc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)cc1[N+](=O)[O-] ZINC000574796746 519335672 /nfs/dbraw/zinc/33/56/72/519335672.db2.gz JUZPEHDSPWVAJW-OAHLLOKOSA-N 1 2 374.397 2.597 20 5 FFBDLO COC(=O)COc1ccc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)cc1[N+](=O)[O-] ZINC000574796746 519335677 /nfs/dbraw/zinc/33/56/77/519335677.db2.gz JUZPEHDSPWVAJW-OAHLLOKOSA-N 1 2 374.397 2.597 20 5 FFBDLO O=C(NCC[NH+]1Cc2ccccc2C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000591036688 519487768 /nfs/dbraw/zinc/48/77/68/519487768.db2.gz PNUQIIUGUNGEQA-RBUKOAKNSA-N 1 2 351.406 2.830 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc([N+](=O)[O-])n1C)c1ccc(Cl)cc1 ZINC000612610422 520048670 /nfs/dbraw/zinc/04/86/70/520048670.db2.gz XDYZRXRGAPLLQA-OAHLLOKOSA-N 1 2 373.800 2.840 20 5 FFBDLO Cc1ccccc1CC1C[NH+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000612677933 520085957 /nfs/dbraw/zinc/08/59/57/520085957.db2.gz JGOUUJJWINFRCH-UHFFFAOYSA-N 1 2 374.462 2.851 20 5 FFBDLO Cc1cc(NC(=O)CCCn2cc[nH+]c2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000609171530 520218094 /nfs/dbraw/zinc/21/80/94/520218094.db2.gz FGWCPMHVSWFBCX-UHFFFAOYSA-N 1 2 354.370 2.704 20 5 FFBDLO C[C@@H]1C[N@H+](CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H](C)CO1 ZINC000597995042 520365823 /nfs/dbraw/zinc/36/58/23/520365823.db2.gz DNTBVAPXTATFQB-NWDGAFQWSA-N 1 2 363.439 2.649 20 5 FFBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H](C)CO1 ZINC000597995042 520365831 /nfs/dbraw/zinc/36/58/31/520365831.db2.gz DNTBVAPXTATFQB-NWDGAFQWSA-N 1 2 363.439 2.649 20 5 FFBDLO Cc1nc(CN2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)cs1 ZINC000603872927 520386729 /nfs/dbraw/zinc/38/67/29/520386729.db2.gz FUFPHAFURQBXSW-UHFFFAOYSA-N 1 2 362.455 2.556 20 5 FFBDLO COc1ccc(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000609784635 520431946 /nfs/dbraw/zinc/43/19/46/520431946.db2.gz JDINMFFAGWQBIE-UHFFFAOYSA-N 1 2 352.350 2.719 20 5 FFBDLO O=[N+]([O-])c1ccc2ncnc(NCc3cn4cc(Cl)ccc4[nH+]3)c2c1 ZINC000609849872 520457513 /nfs/dbraw/zinc/45/75/13/520457513.db2.gz OUVOWXJEKKVCKY-UHFFFAOYSA-N 1 2 354.757 2.873 20 5 FFBDLO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000598195883 520486044 /nfs/dbraw/zinc/48/60/44/520486044.db2.gz VLUZDVLRMFKEQI-QGZVFWFLSA-N 1 2 369.421 2.689 20 5 FFBDLO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000598195883 520486053 /nfs/dbraw/zinc/48/60/53/520486053.db2.gz VLUZDVLRMFKEQI-QGZVFWFLSA-N 1 2 369.421 2.689 20 5 FFBDLO CCOC(=O)c1ccnc(NCc2cccc(-n3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC000609963985 520491389 /nfs/dbraw/zinc/49/13/89/520491389.db2.gz QBJAYYMTMHFLJX-UHFFFAOYSA-N 1 2 367.365 2.964 20 5 FFBDLO CCOc1ccccc1C[N@@H+]1CCN(Cc2onc(C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000595473817 520495070 /nfs/dbraw/zinc/49/50/70/520495070.db2.gz YWDJFDPKBFCXHV-AWEZNQCLSA-N 1 2 374.441 2.996 20 5 FFBDLO CCOc1ccccc1C[N@H+]1CCN(Cc2onc(C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000595473817 520495080 /nfs/dbraw/zinc/49/50/80/520495080.db2.gz YWDJFDPKBFCXHV-AWEZNQCLSA-N 1 2 374.441 2.996 20 5 FFBDLO CC1(C)CCC(O)(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000598338061 520562453 /nfs/dbraw/zinc/56/24/53/520562453.db2.gz GPJMFTLAINMCTG-UHFFFAOYSA-N 1 2 372.425 2.842 20 5 FFBDLO Cc1cc(N2CCN(c3ncc(F)cc3[N+](=O)[O-])CC2)nc(C(C)C)[nH+]1 ZINC000601100396 520634011 /nfs/dbraw/zinc/63/40/11/520634011.db2.gz BOWVEPBDNFDNNY-UHFFFAOYSA-N 1 2 360.393 2.677 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000598647119 520760282 /nfs/dbraw/zinc/76/02/82/520760282.db2.gz BTVWEJFRVPMZLO-WOPDTQHZSA-N 1 2 355.822 2.526 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000598647119 520760289 /nfs/dbraw/zinc/76/02/89/520760289.db2.gz BTVWEJFRVPMZLO-WOPDTQHZSA-N 1 2 355.822 2.526 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000595880867 520787919 /nfs/dbraw/zinc/78/79/19/520787919.db2.gz ZYUNIGZWRLVWSU-USBNGQNGSA-N 1 2 355.822 2.526 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000595880867 520787925 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Cc1cn2c([nH+]1)C[C@@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000599542010 521284233 /nfs/dbraw/zinc/28/42/33/521284233.db2.gz WQBYHRWWPHPARA-INIZCTEOSA-N 1 2 356.426 2.801 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H]1C(F)(F)F ZINC000602388339 521313419 /nfs/dbraw/zinc/31/34/19/521313419.db2.gz QHPVZDCKKVZJLM-ZDUSSCGKSA-N 1 2 354.288 2.947 20 5 FFBDLO COC(=O)[C@H]1CCC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602431108 521342702 /nfs/dbraw/zinc/34/27/02/521342702.db2.gz ANHHEFQQPRAZPL-QMMMGPOBSA-N 1 2 363.233 2.804 20 5 FFBDLO COC(=O)[C@H]1CCC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602431108 521342708 /nfs/dbraw/zinc/34/27/08/521342708.db2.gz ANHHEFQQPRAZPL-QMMMGPOBSA-N 1 2 363.233 2.804 20 5 FFBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCc3c(O)cccc3C2)cccc1[N+](=O)[O-] ZINC000599647016 521356166 /nfs/dbraw/zinc/35/61/66/521356166.db2.gz OENVAUZJPSFHAA-ZDUSSCGKSA-N 1 2 355.394 2.994 20 5 FFBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCc3c(O)cccc3C2)cccc1[N+](=O)[O-] ZINC000599647016 521356177 /nfs/dbraw/zinc/35/61/77/521356177.db2.gz OENVAUZJPSFHAA-ZDUSSCGKSA-N 1 2 355.394 2.994 20 5 FFBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCc3cc(F)cc(Br)c3C2)n1 ZINC000599684158 521399292 /nfs/dbraw/zinc/39/92/92/521399292.db2.gz VUQPHIISTCSQLR-UHFFFAOYSA-N 1 2 369.194 2.751 20 5 FFBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCc3cc(F)cc(Br)c3C2)n1 ZINC000599684158 521399302 /nfs/dbraw/zinc/39/93/02/521399302.db2.gz VUQPHIISTCSQLR-UHFFFAOYSA-N 1 2 369.194 2.751 20 5 FFBDLO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000599691504 521405311 /nfs/dbraw/zinc/40/53/11/521405311.db2.gz RYBOLWINKCHWHD-CQSZACIVSA-N 1 2 370.247 2.848 20 5 FFBDLO CC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000599691504 521405316 /nfs/dbraw/zinc/40/53/16/521405316.db2.gz RYBOLWINKCHWHD-CQSZACIVSA-N 1 2 370.247 2.848 20 5 FFBDLO O=[N+]([O-])c1sc(C[NH2+][C@H]2CCc3cn[nH]c3C2)cc1Br ZINC000602569541 521415821 /nfs/dbraw/zinc/41/58/21/521415821.db2.gz SXTLQMGGWGWQQC-QMMMGPOBSA-N 1 2 357.233 2.789 20 5 FFBDLO CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@@H]1CCCCO1 ZINC000594179272 521452521 /nfs/dbraw/zinc/45/25/21/521452521.db2.gz WZGVQVGLVUFHDN-PBHICJAKSA-N 1 2 358.398 2.858 20 5 FFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597091157 521495990 /nfs/dbraw/zinc/49/59/90/521495990.db2.gz WILNOMWBRSZCIK-MRVPVSSYSA-N 1 2 352.782 2.930 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599832625 521501571 /nfs/dbraw/zinc/50/15/71/521501571.db2.gz GSNFLLIEFCDJSO-GFCCVEGCSA-N 1 2 366.381 2.898 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2nccc(C(C)C)n2)CC1 ZINC000619531976 521755555 /nfs/dbraw/zinc/75/55/55/521755555.db2.gz LAYSXVKYQDSHCZ-UHFFFAOYSA-N 1 2 371.441 2.839 20 5 FFBDLO CC[N@H+](CCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)CCC(F)(F)F ZINC000515343899 562005985 /nfs/dbraw/zinc/00/59/85/562005985.db2.gz HLNFKSHWTVBPJX-UHFFFAOYSA-N 1 2 373.335 2.930 20 5 FFBDLO CC[N@@H+](CCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)CCC(F)(F)F 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ZINC000767923975 737383095 /nfs/dbraw/zinc/38/30/95/737383095.db2.gz MVKOALRHXHNRLC-UHFFFAOYSA-N 1 2 373.837 2.567 20 5 FFBDLO Cc1ncc(CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC000772214582 737795752 /nfs/dbraw/zinc/79/57/52/737795752.db2.gz NPULSDDZXWONEE-UHFFFAOYSA-N 1 2 357.395 2.518 20 5 FFBDLO CC1(C)CN(CC(F)(F)F)CC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776605769 738213600 /nfs/dbraw/zinc/21/36/00/738213600.db2.gz OAQDWNXHLORSFR-AWEZNQCLSA-N 1 2 361.364 2.587 20 5 FFBDLO CC1(C)CN(CC(F)(F)F)CC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776605769 738213603 /nfs/dbraw/zinc/21/36/03/738213603.db2.gz OAQDWNXHLORSFR-AWEZNQCLSA-N 1 2 361.364 2.587 20 5 FFBDLO COC(=O)NC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000931079143 739208305 /nfs/dbraw/zinc/20/83/05/739208305.db2.gz KDMJQLKWPFZNLB-UHFFFAOYSA-N 1 2 372.219 2.678 20 5 FFBDLO Cn1c[nH+]cc1CCOC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000793258519 739759035 /nfs/dbraw/zinc/75/90/35/739759035.db2.gz MJYDWZSEMKBTIE-UHFFFAOYSA-N 1 2 353.762 2.537 20 5 FFBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2ccc(Cl)c(F)c2)CC1 ZINC001005378037 742252891 /nfs/dbraw/zinc/25/28/91/742252891.db2.gz HXPKRBITCCKMCG-CZUORRHYSA-N 1 2 369.824 2.567 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C(C)(C)CO ZINC000824672942 743126172 /nfs/dbraw/zinc/12/61/72/743126172.db2.gz KMPQUAROOOTTKN-CQSZACIVSA-N 1 2 352.822 2.831 20 5 FFBDLO CSCC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000834372493 745826099 /nfs/dbraw/zinc/82/60/99/745826099.db2.gz VLSOHZZLZUZFSZ-UHFFFAOYSA-N 1 2 360.439 2.996 20 5 FFBDLO O=[N+]([O-])c1nn(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1Br ZINC000840117288 747008657 /nfs/dbraw/zinc/00/86/57/747008657.db2.gz UIHBAUZCUUZJGW-UHTWSYAYSA-N 1 2 373.251 2.527 20 5 FFBDLO O=[N+]([O-])c1nn(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1Br ZINC000840117288 747008662 /nfs/dbraw/zinc/00/86/62/747008662.db2.gz UIHBAUZCUUZJGW-UHTWSYAYSA-N 1 2 373.251 2.527 20 5 FFBDLO CC(C)(C)OC(=O)C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000847086671 748617915 /nfs/dbraw/zinc/61/79/15/748617915.db2.gz PFXJJMXTWPHVAS-MRXNPFEDSA-N 1 2 350.415 2.824 20 5 FFBDLO CC(C)(C)OC(=O)C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000847086671 748617919 /nfs/dbraw/zinc/61/79/19/748617919.db2.gz PFXJJMXTWPHVAS-MRXNPFEDSA-N 1 2 350.415 2.824 20 5 FFBDLO Cc1cc(CNC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC000848593514 748969740 /nfs/dbraw/zinc/96/97/40/748969740.db2.gz LFXILNPDKAPDON-UHFFFAOYSA-N 1 2 351.309 2.895 20 5 FFBDLO Cc1noc(C[NH+]2CCC(N(C)C(=O)OC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000851763849 749666445 /nfs/dbraw/zinc/66/64/45/749666445.db2.gz XBZCBSPYYBHLDI-UHFFFAOYSA-N 1 2 354.407 2.723 20 5 FFBDLO O=C1OCCN1[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000852444271 749860247 /nfs/dbraw/zinc/86/02/47/749860247.db2.gz UFBZOMXLMGWFML-LBPRGKRZSA-N 1 2 359.304 2.640 20 5 FFBDLO O=C1OCCN1[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000852444271 749860251 /nfs/dbraw/zinc/86/02/51/749860251.db2.gz UFBZOMXLMGWFML-LBPRGKRZSA-N 1 2 359.304 2.640 20 5 FFBDLO COC(=O)c1cc([N+](=O)[O-])c(NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)cc1Cl ZINC000853798328 750167430 /nfs/dbraw/zinc/16/74/30/750167430.db2.gz DHLAMHQYRBMGNJ-WDEREUQCSA-N 1 2 371.821 2.556 20 5 FFBDLO COC(=O)c1cc([N+](=O)[O-])c(NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)cc1Cl ZINC000853798328 750167433 /nfs/dbraw/zinc/16/74/33/750167433.db2.gz DHLAMHQYRBMGNJ-WDEREUQCSA-N 1 2 371.821 2.556 20 5 FFBDLO CC(=O)NC[C@@H]1CCC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000067382533 845503874 /nfs/dbraw/zinc/50/38/74/845503874.db2.gz ZDBCPBFOSISEDM-LBPRGKRZSA-N 1 2 364.427 2.678 20 5 FFBDLO CC(=O)NC[C@@H]1CCC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000067382533 845503878 /nfs/dbraw/zinc/50/38/78/845503878.db2.gz ZDBCPBFOSISEDM-LBPRGKRZSA-N 1 2 364.427 2.678 20 5 FFBDLO COc1cc(C[NH+]2CCC(C(=O)OC(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000895829886 970995044 /nfs/dbraw/zinc/99/50/44/970995044.db2.gz WZQIQVCNIFLFAR-UHFFFAOYSA-N 1 2 366.414 2.776 20 5 FFBDLO C[C@@H](NC(=O)c1cc2ccccc2c2cccnc12)[C@H]1CN(C)CC[N@@H+]1C ZINC000896569848 971594673 /nfs/dbraw/zinc/59/46/73/971594673.db2.gz JESHXHYSVYJZLD-FOIQADDNSA-N 1 2 362.477 2.752 20 5 FFBDLO C[C@@H](NC(=O)c1cc2ccccc2c2cccnc12)[C@H]1CN(C)CC[N@H+]1C ZINC000896569848 971594675 /nfs/dbraw/zinc/59/46/75/971594675.db2.gz JESHXHYSVYJZLD-FOIQADDNSA-N 1 2 362.477 2.752 20 5 FFBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255067689 960937110 /nfs/dbraw/zinc/93/71/10/960937110.db2.gz SMCHBQCHALLSAK-WTKPLQERSA-N 1 2 368.393 2.787 20 5 FFBDLO CC(=O)Nc1ccc2c(c1)C[N@@H+](Cn1ncc3cc([N+](=O)[O-])ccc31)CC2 ZINC000872811728 1013265095 /nfs/dbraw/zinc/26/50/95/1013265095.db2.gz PSVMMBQGHQWNTF-UHFFFAOYSA-N 1 2 365.393 2.919 20 5 FFBDLO CC(=O)Nc1ccc2c(c1)C[N@H+](Cn1ncc3cc([N+](=O)[O-])ccc31)CC2 ZINC000872811728 1013265103 /nfs/dbraw/zinc/26/51/03/1013265103.db2.gz PSVMMBQGHQWNTF-UHFFFAOYSA-N 1 2 365.393 2.919 20 5 FFBDLO COC(=O)[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H]([C@@H]2CCCO2)C1 ZINC000933179570 963674418 /nfs/dbraw/zinc/67/44/18/963674418.db2.gz JKRIINARYPVBHB-JLZZUVOBSA-N 1 2 366.389 2.667 20 5 FFBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H]([C@@H]2CCCO2)C1 ZINC000933179570 963674422 /nfs/dbraw/zinc/67/44/22/963674422.db2.gz JKRIINARYPVBHB-JLZZUVOBSA-N 1 2 366.389 2.667 20 5 FFBDLO CNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001175361977 1013456043 /nfs/dbraw/zinc/45/60/43/1013456043.db2.gz ONSWUVVEBFQAEM-MRXNPFEDSA-N 1 2 364.446 2.666 20 5 FFBDLO CNC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001175361977 1013456048 /nfs/dbraw/zinc/45/60/48/1013456048.db2.gz ONSWUVVEBFQAEM-MRXNPFEDSA-N 1 2 364.446 2.666 20 5 FFBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000051114318 964014172 /nfs/dbraw/zinc/01/41/72/964014172.db2.gz JHRFJOLZIUPGLG-GOSISDBHSA-N 1 2 363.364 2.729 20 5 FFBDLO CCCCC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(=O)OC ZINC000176746290 967012172 /nfs/dbraw/zinc/01/21/72/967012172.db2.gz XKXAMVBUGQRURJ-AWEZNQCLSA-N 1 2 374.397 2.632 20 5 FFBDLO COc1c(C)c[nH+]c(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1C ZINC000122167470 969735707 /nfs/dbraw/zinc/73/57/07/969735707.db2.gz OIPKLZAXIOMJSX-UHFFFAOYSA-N 1 2 368.393 2.955 20 5 FFBDLO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000045778707 974342383 /nfs/dbraw/zinc/34/23/83/974342383.db2.gz AXXLJQJYVNZFKH-UHFFFAOYSA-N 1 2 370.409 2.823 20 5 FFBDLO CC[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000030544471 975896278 /nfs/dbraw/zinc/89/62/78/975896278.db2.gz SOOOLKVINDDVTH-IRXDYDNUSA-N 1 2 374.485 2.896 20 5 FFBDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000729338386 978246016 /nfs/dbraw/zinc/24/60/16/978246016.db2.gz MMLWWCLMPATGRW-INIZCTEOSA-N 1 2 360.414 2.791 20 5 FFBDLO CC(C)(C)CN1CCC[C@@H]([NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000763808095 993286970 /nfs/dbraw/zinc/28/69/70/993286970.db2.gz URVARUKVTIIFQV-GOSISDBHSA-N 1 2 374.485 2.754 20 5 FFBDLO COc1cc2c(cc1OC)C(C)(C)[N@H+](Cc1cn(C)nc1[N+](=O)[O-])CC2 ZINC000880392770 1015825717 /nfs/dbraw/zinc/82/57/17/1015825717.db2.gz YBDBCBDGIFRQAT-UHFFFAOYSA-N 1 2 360.414 2.639 20 5 FFBDLO COc1cc2c(cc1OC)C(C)(C)[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])CC2 ZINC000880392770 1015825722 /nfs/dbraw/zinc/82/57/22/1015825722.db2.gz YBDBCBDGIFRQAT-UHFFFAOYSA-N 1 2 360.414 2.639 20 5 FFBDLO CCOC(=O)C1(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCC1 ZINC000813148704 995624599 /nfs/dbraw/zinc/62/45/99/995624599.db2.gz JRBIWKQKPREADY-UHFFFAOYSA-N 1 2 373.365 2.671 20 5 FFBDLO CN(C)c1cc[nH+]c(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)c1 ZINC001152320143 1032144745 /nfs/dbraw/zinc/14/47/45/1032144745.db2.gz QOEAFCAPGJDHSC-UHFFFAOYSA-N 1 2 370.344 2.633 20 5 FFBDLO CC[N@H+](C)[C@H](C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000741148596 999711479 /nfs/dbraw/zinc/71/14/79/999711479.db2.gz GTSLMONWWHVFLY-SFHVURJKSA-N 1 2 371.393 2.770 20 5 FFBDLO CC[N@@H+](C)[C@H](C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000741148596 999711482 /nfs/dbraw/zinc/71/14/82/999711482.db2.gz GTSLMONWWHVFLY-SFHVURJKSA-N 1 2 371.393 2.770 20 5 FFBDLO CC[N@@H+](Cc1ccc(C)cc1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000746028177 999941927 /nfs/dbraw/zinc/94/19/27/999941927.db2.gz GDTSPIDNMROGTI-UHFFFAOYSA-N 1 2 353.378 2.979 20 5 FFBDLO CC[N@H+](Cc1ccc(C)cc1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000746028177 999941929 /nfs/dbraw/zinc/94/19/29/999941929.db2.gz GDTSPIDNMROGTI-UHFFFAOYSA-N 1 2 353.378 2.979 20 5 FFBDLO C[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])cc2O)(c2ccccc2)CC1 ZINC001168956083 1000012580 /nfs/dbraw/zinc/01/25/80/1000012580.db2.gz VHWUXHGWABKFCU-UHFFFAOYSA-N 1 2 369.421 2.694 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCN(CCCCO)CC3)o2)cc1 ZINC000769395963 1000517849 /nfs/dbraw/zinc/51/78/49/1000517849.db2.gz RZBHGGISPNAUKZ-UHFFFAOYSA-N 1 2 359.426 2.745 20 5 FFBDLO COCc1nc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cs1 ZINC000785679768 1001467045 /nfs/dbraw/zinc/46/70/45/1001467045.db2.gz YCQYAFFDILUCOR-UHFFFAOYSA-N 1 2 374.378 2.740 20 5 FFBDLO COc1ccc(C[C@@H](C)[N@@H+]2CCn3c(nnc3C(C)C)C2)c([N+](=O)[O-])c1 ZINC001170348213 1003133699 /nfs/dbraw/zinc/13/36/99/1003133699.db2.gz VSZKXZATFVRVIZ-CYBMUJFWSA-N 1 2 359.430 2.765 20 5 FFBDLO COc1ccc(C[C@@H](C)[N@H+]2CCn3c(nnc3C(C)C)C2)c([N+](=O)[O-])c1 ZINC001170348213 1003133706 /nfs/dbraw/zinc/13/37/06/1003133706.db2.gz VSZKXZATFVRVIZ-CYBMUJFWSA-N 1 2 359.430 2.765 20 5 FFBDLO C[C@@H]1COC2(CCCC2)C[N@@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000853580308 1006456301 /nfs/dbraw/zinc/45/63/01/1006456301.db2.gz VXWBMHQTWKXEOB-CQSZACIVSA-N 1 2 357.414 2.844 20 5 FFBDLO C[C@@H]1COC2(CCCC2)C[N@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000853580308 1006456304 /nfs/dbraw/zinc/45/63/04/1006456304.db2.gz VXWBMHQTWKXEOB-CQSZACIVSA-N 1 2 357.414 2.844 20 5 FFBDLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CCN(c3ncc([N+](=O)[O-])s3)C2)O1 ZINC000882980839 1006588257 /nfs/dbraw/zinc/58/82/57/1006588257.db2.gz VLAHHGOUVVPFQG-RDTXWAMCSA-N 1 2 374.466 2.921 20 5 FFBDLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]2(CCN(c3ncc([N+](=O)[O-])s3)C2)O1 ZINC000882980839 1006588265 /nfs/dbraw/zinc/58/82/65/1006588265.db2.gz VLAHHGOUVVPFQG-RDTXWAMCSA-N 1 2 374.466 2.921 20 5 FFBDLO Nc1ccc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000816601926 1007131218 /nfs/dbraw/zinc/13/12/18/1007131218.db2.gz AZTYBAJPRAJOIN-HDJSIYSDSA-N 1 2 355.398 2.725 20 5 FFBDLO Cc1noc(C[N@@H+]2C[C@@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000856813684 1007986791 /nfs/dbraw/zinc/98/67/91/1007986791.db2.gz LLBBRJGSNSYYGG-YVEFUNNKSA-N 1 2 366.418 2.770 20 5 FFBDLO Cc1noc(C[N@H+]2C[C@@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000856813684 1007986795 /nfs/dbraw/zinc/98/67/95/1007986795.db2.gz LLBBRJGSNSYYGG-YVEFUNNKSA-N 1 2 366.418 2.770 20 5 FFBDLO COc1cc(N2CC[NH+](Cc3c(C)noc3C)CC2)c([N+](=O)[O-])cc1C ZINC000820623933 1008352447 /nfs/dbraw/zinc/35/24/47/1008352447.db2.gz IBKZXKKHLIOWAG-UHFFFAOYSA-N 1 2 360.414 2.839 20 5 FFBDLO Cn1nccc1C([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccnn1C ZINC000858584021 1008386439 /nfs/dbraw/zinc/38/64/39/1008386439.db2.gz OFWIGDZKEYKMIG-INIZCTEOSA-N 1 2 366.425 2.818 20 5 FFBDLO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cc1O)[N@@H+]1CCc2ccccc2C1 ZINC001136423832 1008422745 /nfs/dbraw/zinc/42/27/45/1008422745.db2.gz YFPCULXSUPPFCT-UHFFFAOYSA-N 1 2 369.421 2.867 20 5 FFBDLO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cc1O)[N@H+]1CCc2ccccc2C1 ZINC001136423832 1008422748 /nfs/dbraw/zinc/42/27/48/1008422748.db2.gz YFPCULXSUPPFCT-UHFFFAOYSA-N 1 2 369.421 2.867 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCn3c(nnc3C3CC3)C1)CC2 ZINC001172916778 1012098996 /nfs/dbraw/zinc/09/89/96/1012098996.db2.gz TZHNLSPWRJSYNQ-MRXNPFEDSA-N 1 2 353.426 2.827 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CCn3c(nnc3C3CC3)C1)CC2 ZINC001172916778 1012099001 /nfs/dbraw/zinc/09/90/01/1012099001.db2.gz TZHNLSPWRJSYNQ-MRXNPFEDSA-N 1 2 353.426 2.827 20 5 FFBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC001173220650 1012351926 /nfs/dbraw/zinc/35/19/26/1012351926.db2.gz BPPXGYOIQUOFSE-SNVBAGLBSA-N 1 2 355.320 2.652 20 5 FFBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC001173220650 1012351942 /nfs/dbraw/zinc/35/19/42/1012351942.db2.gz BPPXGYOIQUOFSE-SNVBAGLBSA-N 1 2 355.320 2.652 20 5 FFBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC001042711115 1019118245 /nfs/dbraw/zinc/11/82/45/1019118245.db2.gz QOVZQSBROUPEFU-WOJBJXKFSA-N 1 2 365.433 2.661 20 5 FFBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CN1C[C@H]([C@@H]2CCCO2)CC1=O ZINC000902067020 1019776894 /nfs/dbraw/zinc/77/68/94/1019776894.db2.gz HSUHTNBJYBDHLQ-AEFFLSMTSA-N 1 2 361.442 2.790 20 5 FFBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)CN1C[C@H]([C@@H]2CCCO2)CC1=O ZINC000902067020 1019776909 /nfs/dbraw/zinc/77/69/09/1019776909.db2.gz HSUHTNBJYBDHLQ-AEFFLSMTSA-N 1 2 361.442 2.790 20 5 FFBDLO O=C(NCC[NH+]1Cc2ccccc2C1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000930651797 1020120989 /nfs/dbraw/zinc/12/09/89/1020120989.db2.gz BOKBJYXZFLWVLA-RTBURBONSA-N 1 2 351.406 2.830 20 5 FFBDLO CC(C)C[C@H]1CCC(=O)N(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000800865363 1020610059 /nfs/dbraw/zinc/61/00/59/1020610059.db2.gz AHYKELOHKRPEQF-MRXNPFEDSA-N 1 2 361.442 2.838 20 5 FFBDLO CC(C)C[C@H]1CCC(=O)N(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000800865363 1020610063 /nfs/dbraw/zinc/61/00/63/1020610063.db2.gz AHYKELOHKRPEQF-MRXNPFEDSA-N 1 2 361.442 2.838 20 5 FFBDLO C[N@@H+]1CC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC001116667452 1021341686 /nfs/dbraw/zinc/34/16/86/1021341686.db2.gz GPHQKYNGWUBCAD-IRXDYDNUSA-N 1 2 359.357 2.615 20 5 FFBDLO C[N@H+]1CC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC001116667452 1021341698 /nfs/dbraw/zinc/34/16/98/1021341698.db2.gz GPHQKYNGWUBCAD-IRXDYDNUSA-N 1 2 359.357 2.615 20 5 FFBDLO COc1cc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000778938755 1022556725 /nfs/dbraw/zinc/55/67/25/1022556725.db2.gz GSGWLTDKOTWAFW-UHFFFAOYSA-N 1 2 372.381 2.834 20 5 FFBDLO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC001119585153 1022876711 /nfs/dbraw/zinc/87/67/11/1022876711.db2.gz LKGZAPJUYNGPIY-UHFFFAOYSA-N 1 2 366.421 2.737 20 5 FFBDLO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC001119585153 1022876722 /nfs/dbraw/zinc/87/67/22/1022876722.db2.gz LKGZAPJUYNGPIY-UHFFFAOYSA-N 1 2 366.421 2.737 20 5 FFBDLO C[N@H+](CCN1C(=O)c2ccccc2C1=O)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000754362273 1023459756 /nfs/dbraw/zinc/45/97/56/1023459756.db2.gz AQOBGBRMOJEAGM-UHFFFAOYSA-N 1 2 373.796 2.976 20 5 FFBDLO C[N@@H+](CCN1C(=O)c2ccccc2C1=O)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000754362273 1023459761 /nfs/dbraw/zinc/45/97/61/1023459761.db2.gz AQOBGBRMOJEAGM-UHFFFAOYSA-N 1 2 373.796 2.976 20 5 FFBDLO CN(C)c1cc(COC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc[nH+]1 ZINC000755914805 1023650685 /nfs/dbraw/zinc/65/06/85/1023650685.db2.gz QSHGSUDMKGTSJY-UHFFFAOYSA-N 1 2 367.365 2.599 20 5 FFBDLO CCC(C)(C)NC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000838099901 1026207654 /nfs/dbraw/zinc/20/76/54/1026207654.db2.gz ABNDJQOHIALZFC-GFCCVEGCSA-N 1 2 374.397 2.631 20 5 FFBDLO CCCCCNC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000838100511 1026208327 /nfs/dbraw/zinc/20/83/27/1026208327.db2.gz FHWLLZRKYIUGMB-CYBMUJFWSA-N 1 2 374.397 2.632 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])c(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)n1 ZINC001163896999 1029108592 /nfs/dbraw/zinc/10/85/92/1029108592.db2.gz NWSKJBKZRCWJOJ-UHFFFAOYSA-N 1 2 370.409 2.658 20 5 FFBDLO Cc1ccc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(N(C)C)[nH+]1 ZINC000781745016 1029383308 /nfs/dbraw/zinc/38/33/08/1029383308.db2.gz BBAUJYSMFDMPCN-UHFFFAOYSA-N 1 2 373.369 2.844 20 5 FFBDLO C[NH+](C)Cc1nc(CSCCNc2cc([N+](=O)[O-])ccn2)cs1 ZINC001157332919 1029557839 /nfs/dbraw/zinc/55/78/39/1029557839.db2.gz OWZRSNLABRRDQX-UHFFFAOYSA-N 1 2 353.473 2.853 20 5 FFBDLO Cc1nc(NCCSCc2csc(C[NH+](C)C)n2)ncc1[N+](=O)[O-] ZINC001157339788 1029559876 /nfs/dbraw/zinc/55/98/76/1029559876.db2.gz JGTWTORZTLTJRT-UHFFFAOYSA-N 1 2 368.488 2.557 20 5 FFBDLO O=[N+]([O-])c1cnc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(Cl)c1 ZINC001226255394 1034595405 /nfs/dbraw/zinc/59/54/05/1034595405.db2.gz KTNKUIBNOVVKHZ-HNNXBMFYSA-N 1 2 363.801 2.923 20 5 FFBDLO O=[N+]([O-])c1cnc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(Cl)c1 ZINC001226255394 1034595410 /nfs/dbraw/zinc/59/54/10/1034595410.db2.gz KTNKUIBNOVVKHZ-HNNXBMFYSA-N 1 2 363.801 2.923 20 5 FFBDLO CO[C@H]1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C12CCC2 ZINC000835873116 1036061214 /nfs/dbraw/zinc/06/12/14/1036061214.db2.gz JCUXZQRYPSIHTG-JKSUJKDBSA-N 1 2 357.366 2.895 20 5 FFBDLO O=[N+]([O-])c1cccc(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC001233574211 1036686206 /nfs/dbraw/zinc/68/62/06/1036686206.db2.gz HOBVCPCOTYTDGP-OAHLLOKOSA-N 1 2 373.365 2.783 20 5 FFBDLO O=[N+]([O-])c1cccc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC001233574211 1036686212 /nfs/dbraw/zinc/68/62/12/1036686212.db2.gz HOBVCPCOTYTDGP-OAHLLOKOSA-N 1 2 373.365 2.783 20 5 FFBDLO CCCSc1nc(O[C@H]2CC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229791776 1036900296 /nfs/dbraw/zinc/90/02/96/1036900296.db2.gz MBKONOGLXOLPMA-XYPYZODXSA-N 1 2 356.448 2.844 20 5 FFBDLO COc1cc(O)cc2oc3cc(O)c(O[C@H]4CCC[N@H+](C)C4)cc3c(=O)c12 ZINC001234801393 1037184511 /nfs/dbraw/zinc/18/45/11/1037184511.db2.gz PZONOPPRCKTYEH-LBPRGKRZSA-N 1 2 371.389 2.839 20 5 FFBDLO COc1cc(O)cc2oc3cc(O)c(O[C@H]4CCC[N@@H+](C)C4)cc3c(=O)c12 ZINC001234801393 1037184529 /nfs/dbraw/zinc/18/45/29/1037184529.db2.gz PZONOPPRCKTYEH-LBPRGKRZSA-N 1 2 371.389 2.839 20 5 FFBDLO O=C(NCc1noc2ccccc12)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001537513203 1070198770 /nfs/dbraw/zinc/19/87/70/1070198770.db2.gz KIMCVGDITFWFSF-UHFFFAOYSA-N 1 2 363.333 2.852 20 5 FFBDLO O=C(c1ccccc1)N1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254597879 1040828161 /nfs/dbraw/zinc/82/81/61/1040828161.db2.gz INQIJPWTULKZNC-IBGZPJMESA-N 1 2 351.406 2.520 20 5 FFBDLO Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001264831801 1042825182 /nfs/dbraw/zinc/82/51/82/1042825182.db2.gz LPESPVWHKGHEJE-UHFFFAOYSA-N 1 2 360.761 2.578 20 5 FFBDLO Cc1cc(S(=O)(=O)N2CCC[C@@H]2c2[nH]c(C)c(C)[nH+]2)c([N+](=O)[O-])s1 ZINC001309855687 1043558125 /nfs/dbraw/zinc/55/81/25/1043558125.db2.gz YXYYSNNRQDEDGW-LLVKDONJSA-N 1 2 370.456 2.830 20 5 FFBDLO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001322724373 1046198207 /nfs/dbraw/zinc/19/82/07/1046198207.db2.gz SRYAMUKJLVOSQT-SFHVURJKSA-N 1 2 354.410 2.661 20 5 FFBDLO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001322724373 1046198212 /nfs/dbraw/zinc/19/82/12/1046198212.db2.gz SRYAMUKJLVOSQT-SFHVURJKSA-N 1 2 354.410 2.661 20 5 FFBDLO Cc1cn2cc(NC(=O)c3cc([N+](=O)[O-])ccc3SCCO)ccc2[nH+]1 ZINC001292435904 1049344109 /nfs/dbraw/zinc/34/41/09/1049344109.db2.gz XDPVDQRNAWIZFH-UHFFFAOYSA-N 1 2 372.406 2.888 20 5 FFBDLO CCc1nc(CCNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)cs1 ZINC001292627336 1049369560 /nfs/dbraw/zinc/36/95/60/1049369560.db2.gz KAOKEFKKMNKBEH-UHFFFAOYSA-N 1 2 371.422 2.772 20 5 FFBDLO CCc1[nH]c(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c[nH+]1 ZINC001303973713 1051487799 /nfs/dbraw/zinc/48/77/99/1051487799.db2.gz YZFYRFUWCKOCDS-SECBINFHSA-N 1 2 352.778 2.617 20 5 FFBDLO CCc1[nH]cc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])[nH+]1 ZINC001303973713 1051487800 /nfs/dbraw/zinc/48/78/00/1051487800.db2.gz YZFYRFUWCKOCDS-SECBINFHSA-N 1 2 352.778 2.617 20 5 FFBDLO CCOC(=O)[C@@H]1CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001308121558 1052412911 /nfs/dbraw/zinc/41/29/11/1052412911.db2.gz IVXZZTHKQZNJOS-SNVBAGLBSA-N 1 2 357.204 2.742 20 5 FFBDLO CCOC(=O)[C@@H]1CC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001308121558 1052412912 /nfs/dbraw/zinc/41/29/12/1052412912.db2.gz IVXZZTHKQZNJOS-SNVBAGLBSA-N 1 2 357.204 2.742 20 5 FFBDLO COc1ccc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c([N+](=O)[O-])c1 ZINC001345743701 1052597232 /nfs/dbraw/zinc/59/72/32/1052597232.db2.gz YNJXHFYDEVYCSP-CQSZACIVSA-N 1 2 358.354 2.684 20 5 FFBDLO CC1CCN(c2ccc(C(=O)NCCc3[nH+]ccn3C)cc2[N+](=O)[O-])CC1 ZINC001353240893 1056219317 /nfs/dbraw/zinc/21/93/17/1056219317.db2.gz RDQJLMRKJGZBGO-UHFFFAOYSA-N 1 2 371.441 2.537 20 5 FFBDLO CN(Cc1ccccc1[N+](=O)[O-])c1nnc([C@H]2CCC[N@@H+]2C)n1CC1CC1 ZINC001351500949 1056294251 /nfs/dbraw/zinc/29/42/51/1056294251.db2.gz LKQONHZEJSPCCK-QGZVFWFLSA-N 1 2 370.457 2.999 20 5 FFBDLO CN(Cc1ccccc1[N+](=O)[O-])c1nnc([C@H]2CCC[N@H+]2C)n1CC1CC1 ZINC001351500949 1056294267 /nfs/dbraw/zinc/29/42/67/1056294267.db2.gz LKQONHZEJSPCCK-QGZVFWFLSA-N 1 2 370.457 2.999 20 5 FFBDLO Nc1c(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001445355071 1058392814 /nfs/dbraw/zinc/39/28/14/1058392814.db2.gz VWQAXNQGRIHDJG-UHFFFAOYSA-N 1 2 367.768 2.712 20 5 FFBDLO Nc1c(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001445355071 1058392830 /nfs/dbraw/zinc/39/28/30/1058392830.db2.gz VWQAXNQGRIHDJG-UHFFFAOYSA-N 1 2 367.768 2.712 20 5 FFBDLO O=C(CCc1cc(F)ccc1[N+](=O)[O-])OCC1CN(c2cccc[nH+]2)C1 ZINC001515395778 1059638503 /nfs/dbraw/zinc/63/85/03/1059638503.db2.gz YHZQXQCJRGYAHT-UHFFFAOYSA-N 1 2 359.357 2.741 20 5 FFBDLO O=[N+]([O-])c1cncc(Br)c1N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001515546958 1059694646 /nfs/dbraw/zinc/69/46/46/1059694646.db2.gz FUKQCYTXGADEFO-UHFFFAOYSA-N 1 2 352.192 2.859 20 5 FFBDLO CCc1[nH]c(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c[nH+]1 ZINC001456143947 1060025776 /nfs/dbraw/zinc/02/57/76/1060025776.db2.gz URUMCQWCIHDJSB-UHFFFAOYSA-N 1 2 352.778 2.619 20 5 FFBDLO CCc1[nH]cc(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[nH+]1 ZINC001456143947 1060025797 /nfs/dbraw/zinc/02/57/97/1060025797.db2.gz URUMCQWCIHDJSB-UHFFFAOYSA-N 1 2 352.778 2.619 20 5 FFBDLO C[C@@H]1C[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C[C@]2(CCCOC2)O1 ZINC000848487311 1060133456 /nfs/dbraw/zinc/13/34/56/1060133456.db2.gz QZDHWVIZZMTFLP-BEFAXECRSA-N 1 2 372.425 2.686 20 5 FFBDLO C[C@@H]1C[N@@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C[C@]2(CCCOC2)O1 ZINC000848487311 1060133466 /nfs/dbraw/zinc/13/34/66/1060133466.db2.gz QZDHWVIZZMTFLP-BEFAXECRSA-N 1 2 372.425 2.686 20 5 FFBDLO O=C(N1CCC[C@H](n2cc[nH+]c2)C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848582186 1060310203 /nfs/dbraw/zinc/31/02/03/1060310203.db2.gz ZCUQBGSTIYFWKC-ZDUSSCGKSA-N 1 2 366.324 2.627 20 5 FFBDLO Cc1cc(NCCNC(=O)c2ccc([N+](=O)[O-])cc2C)nc(C(C)C)[nH+]1 ZINC000600366343 1060315804 /nfs/dbraw/zinc/31/58/04/1060315804.db2.gz NYLAARTVXSVAIT-UHFFFAOYSA-N 1 2 357.414 2.967 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C(=O)NCCNc2cc(C)[nH+]c(C(C)C)n2)c1 ZINC000600366089 1060315919 /nfs/dbraw/zinc/31/59/19/1060315919.db2.gz MHSOAIFYTIRAIH-UHFFFAOYSA-N 1 2 373.413 2.667 20 5 FFBDLO Cc1cc(C)c(S(=O)(=O)N2CC[N@@H+](C)C[C@@H]2CC(C)C)cc1[N+](=O)[O-] ZINC001475716775 1061227450 /nfs/dbraw/zinc/22/74/50/1061227450.db2.gz IZYNLSHADJVDCG-HNNXBMFYSA-N 1 2 369.487 2.562 20 5 FFBDLO Cc1cc(C)c(S(=O)(=O)N2CC[N@H+](C)C[C@@H]2CC(C)C)cc1[N+](=O)[O-] ZINC001475716775 1061227473 /nfs/dbraw/zinc/22/74/73/1061227473.db2.gz IZYNLSHADJVDCG-HNNXBMFYSA-N 1 2 369.487 2.562 20 5 FFBDLO Cc1nccc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c1Cl ZINC001526809475 1061274318 /nfs/dbraw/zinc/27/43/18/1061274318.db2.gz MIMWISAKOQKERH-UHFFFAOYSA-N 1 2 357.757 2.812 20 5 FFBDLO Cc1cc(C)c(CNS(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])c[nH+]1 ZINC001463877638 1062308592 /nfs/dbraw/zinc/30/85/92/1062308592.db2.gz UKVLNFWANMWXJB-UHFFFAOYSA-N 1 2 372.406 2.633 20 5 FFBDLO Cc1nn(C)c(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c1Cl ZINC001529984446 1062455004 /nfs/dbraw/zinc/45/50/04/1062455004.db2.gz GFJMPDXKDGJXIM-UHFFFAOYSA-N 1 2 360.761 2.728 20 5 FFBDLO CC(C)C[C@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)n1cc[nH+]c1 ZINC001441476059 1063443722 /nfs/dbraw/zinc/44/37/22/1063443722.db2.gz NQICAPNZFFJROD-GOSISDBHSA-N 1 2 371.441 2.727 20 5 FFBDLO CC[C@H](C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](CC)C1 ZINC001472148045 1064953730 /nfs/dbraw/zinc/95/37/30/1064953730.db2.gz AULVZRMTNMMXPI-ZMSDIMECSA-N 1 2 363.458 2.704 20 5 FFBDLO CC[C@H](C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H](CC)C1 ZINC001472148045 1064953740 /nfs/dbraw/zinc/95/37/40/1064953740.db2.gz AULVZRMTNMMXPI-ZMSDIMECSA-N 1 2 363.458 2.704 20 5 FFBDLO Cc1[nH]c(CNC(=O)c2cccc([N+](=O)[O-])c2Br)[nH+]c1C ZINC001472527733 1065087707 /nfs/dbraw/zinc/08/77/07/1065087707.db2.gz DFDZONFHJSMOFK-UHFFFAOYSA-N 1 2 353.176 2.627 20 5 FFBDLO O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(NCCCNc3cccc[nH+]3)c2c1 ZINC001472661382 1065123379 /nfs/dbraw/zinc/12/33/79/1065123379.db2.gz VJPJNQGGWSOHLO-UHFFFAOYSA-N 1 2 368.353 2.782 20 5 FFBDLO CCOc1cc(C[N@@H+]2CCOc3ccccc3[C@@H]2CO)ccc1[N+](=O)[O-] ZINC001473825203 1065378929 /nfs/dbraw/zinc/37/89/29/1065378929.db2.gz HEGVZXBICLGCEJ-KRWDZBQOSA-N 1 2 358.394 2.922 20 5 FFBDLO CCOc1cc(C[N@H+]2CCOc3ccccc3[C@@H]2CO)ccc1[N+](=O)[O-] ZINC001473825203 1065378936 /nfs/dbraw/zinc/37/89/36/1065378936.db2.gz HEGVZXBICLGCEJ-KRWDZBQOSA-N 1 2 358.394 2.922 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](CCOc3ccccc3Cl)CC2)nc1 ZINC000014713243 249319816 /nfs/dbraw/zinc/31/98/16/249319816.db2.gz PHQCAOCXCIDUAX-UHFFFAOYSA-N 1 2 362.817 2.844 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000106539902 250276573 /nfs/dbraw/zinc/27/65/73/250276573.db2.gz BJISBPRNLUCMGT-AWEZNQCLSA-N 1 2 359.386 2.763 20 5 FFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](Cc2ccccn2)CC1 ZINC000117747761 250359106 /nfs/dbraw/zinc/35/91/06/250359106.db2.gz WIHDWWHSIFLCTK-UHFFFAOYSA-N 1 2 374.828 2.530 20 5 FFBDLO Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)C1)CCCC2 ZINC000275748782 256044591 /nfs/dbraw/zinc/04/45/91/256044591.db2.gz UMCBVVAVGAAGNE-CQSZACIVSA-N 1 2 370.409 2.771 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000275718415 256042270 /nfs/dbraw/zinc/04/22/70/256042270.db2.gz HCPINTUFCUZRAR-SUMWQHHRSA-N 1 2 373.413 2.987 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000277043162 256155422 /nfs/dbraw/zinc/15/54/22/256155422.db2.gz HUWYKSJHRPGAJT-UHFFFAOYSA-N 1 2 370.409 2.919 20 5 FFBDLO COc1cc(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c([N+](=O)[O-])cc1F ZINC000277764119 256236295 /nfs/dbraw/zinc/23/62/95/256236295.db2.gz MKQGBSPNCVIMIR-XPTSAGLGSA-N 1 2 366.311 2.878 20 5 FFBDLO COc1cc(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c([N+](=O)[O-])cc1F ZINC000277764119 256236297 /nfs/dbraw/zinc/23/62/97/256236297.db2.gz MKQGBSPNCVIMIR-XPTSAGLGSA-N 1 2 366.311 2.878 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCn2c(Br)cnc2C1 ZINC000279192689 256391771 /nfs/dbraw/zinc/39/17/71/256391771.db2.gz FEGMQVOXGQHZKX-UHFFFAOYSA-N 1 2 367.203 2.578 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCn2c(Br)cnc2C1 ZINC000279192689 256391773 /nfs/dbraw/zinc/39/17/73/256391773.db2.gz FEGMQVOXGQHZKX-UHFFFAOYSA-N 1 2 367.203 2.578 20 5 FFBDLO CC(C)c1ccc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000285971036 257013764 /nfs/dbraw/zinc/01/37/64/257013764.db2.gz WMVKJQCTQSGHIN-ZBFHGGJFSA-N 1 2 361.442 2.653 20 5 FFBDLO Cc1nc(C)n(C2CN(c3cc(C)[nH+]c(-c4ccc([N+](=O)[O-])cc4)n3)C2)n1 ZINC000288306502 257172648 /nfs/dbraw/zinc/17/26/48/257172648.db2.gz CEUSXPNEZCTRAI-UHFFFAOYSA-N 1 2 365.397 2.630 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1-c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000289315146 257274188 /nfs/dbraw/zinc/27/41/88/257274188.db2.gz XVXNJZFSPYKYEU-SWLSCSKDSA-N 1 2 360.370 2.579 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1-c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000289315146 257274189 /nfs/dbraw/zinc/27/41/89/257274189.db2.gz XVXNJZFSPYKYEU-SWLSCSKDSA-N 1 2 360.370 2.579 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000289633591 257291189 /nfs/dbraw/zinc/29/11/89/257291189.db2.gz SBEOMBONIZALBB-COXVUDFISA-N 1 2 359.426 2.955 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000289633591 257291190 /nfs/dbraw/zinc/29/11/90/257291190.db2.gz SBEOMBONIZALBB-COXVUDFISA-N 1 2 359.426 2.955 20 5 FFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c2c(c1)COCO2 ZINC000289833003 257301836 /nfs/dbraw/zinc/30/18/36/257301836.db2.gz JVWYGFIELIMKJK-AWEZNQCLSA-N 1 2 364.789 2.758 20 5 FFBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c2c(c1)COCO2 ZINC000289833003 257301837 /nfs/dbraw/zinc/30/18/37/257301837.db2.gz JVWYGFIELIMKJK-AWEZNQCLSA-N 1 2 364.789 2.758 20 5 FFBDLO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCn2c[nH+]cc2C1 ZINC000290219908 257320801 /nfs/dbraw/zinc/32/08/01/257320801.db2.gz SWKQFLFVBVBMJW-UHFFFAOYSA-N 1 2 355.276 2.858 20 5 FFBDLO COc1cc(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000299641737 258013031 /nfs/dbraw/zinc/01/30/31/258013031.db2.gz IVIIGASHUJEOHP-UHFFFAOYSA-N 1 2 370.409 2.919 20 5 FFBDLO Cc1[nH+]c2cc(Nc3sc(S(C)(=O)=O)cc3[N+](=O)[O-])ccc2n1C ZINC000302149292 258091136 /nfs/dbraw/zinc/09/11/36/258091136.db2.gz HJRXLDSJFXYYTN-UHFFFAOYSA-N 1 2 366.424 2.999 20 5 FFBDLO CCOc1cccc(NC[C@]2([NH+]3CCOCC3)CCSC2)c1[N+](=O)[O-] ZINC000302216045 258095675 /nfs/dbraw/zinc/09/56/75/258095675.db2.gz JFCWBCXEXAGLBA-QGZVFWFLSA-N 1 2 367.471 2.613 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)nc1 ZINC000301495061 258052416 /nfs/dbraw/zinc/05/24/16/258052416.db2.gz BCUNXOXIOVJXHQ-UHFFFAOYSA-N 1 2 353.304 2.730 20 5 FFBDLO Cc1cc(NCC(C)(C)S(C)(=O)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301518077 258053212 /nfs/dbraw/zinc/05/32/12/258053212.db2.gz FWAOIKREPNILJE-UHFFFAOYSA-N 1 2 364.427 2.595 20 5 FFBDLO Cc1cc(N[C@@H](C)CO[C@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301571335 258056207 /nfs/dbraw/zinc/05/62/07/258056207.db2.gz OAUOUCPNVXITCC-BBRMVZONSA-N 1 2 358.398 2.966 20 5 FFBDLO Cc1sc(C(=O)N2CC[NH+](Cc3cccs3)CC2)cc1[N+](=O)[O-] ZINC000332131845 258215501 /nfs/dbraw/zinc/21/55/01/258215501.db2.gz ZIWRYKYJDQJBJZ-UHFFFAOYSA-N 1 2 351.453 2.984 20 5 FFBDLO CCN1CCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000332442237 258230602 /nfs/dbraw/zinc/23/06/02/258230602.db2.gz RWPCIGMTDANNNY-HNNXBMFYSA-N 1 2 372.429 2.845 20 5 FFBDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])C2 ZINC000332636498 258238512 /nfs/dbraw/zinc/23/85/12/258238512.db2.gz QTFZHNVFUXHXDA-GFCCVEGCSA-N 1 2 360.389 2.973 20 5 FFBDLO COc1ccc2c(c1)C[N@@H+](CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000065162755 506265207 /nfs/dbraw/zinc/26/52/07/506265207.db2.gz KLBFFJWUUFCOGA-UHFFFAOYSA-N 1 2 367.405 2.551 20 5 FFBDLO COc1ccc2c(c1)C[N@H+](CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000065162755 506265215 /nfs/dbraw/zinc/26/52/15/506265215.db2.gz KLBFFJWUUFCOGA-UHFFFAOYSA-N 1 2 367.405 2.551 20 5 FFBDLO COc1ccc(C[N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000003540695 506341771 /nfs/dbraw/zinc/34/17/71/506341771.db2.gz UPBWTFLEYOPKGR-UHFFFAOYSA-N 1 2 373.409 2.991 20 5 FFBDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000003540695 506341778 /nfs/dbraw/zinc/34/17/78/506341778.db2.gz UPBWTFLEYOPKGR-UHFFFAOYSA-N 1 2 373.409 2.991 20 5 FFBDLO CCN(CC)c1ccc(CNC(=O)CNc2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000065868496 506383186 /nfs/dbraw/zinc/38/31/86/506383186.db2.gz NYFWAMLWWQJJND-UHFFFAOYSA-N 1 2 357.414 2.564 20 5 FFBDLO Cc1cc(NC(=O)C2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)no1 ZINC000054173276 506507712 /nfs/dbraw/zinc/50/77/12/506507712.db2.gz PKTTUCVLHPKHDJ-UHFFFAOYSA-N 1 2 350.400 2.803 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000007640271 506577405 /nfs/dbraw/zinc/57/74/05/506577405.db2.gz OSSOXHCRNRAEJB-UHFFFAOYSA-N 1 2 357.366 2.702 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000007640271 506577415 /nfs/dbraw/zinc/57/74/15/506577415.db2.gz OSSOXHCRNRAEJB-UHFFFAOYSA-N 1 2 357.366 2.702 20 5 FFBDLO O=C(Cc1ccccc1F)N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000066868116 506674245 /nfs/dbraw/zinc/67/42/45/506674245.db2.gz JEPMGZZSULYSKC-UHFFFAOYSA-N 1 2 357.385 2.621 20 5 FFBDLO Cc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)no1 ZINC000043535923 506755866 /nfs/dbraw/zinc/75/58/66/506755866.db2.gz OSGDTTWHJKIGOR-UHFFFAOYSA-N 1 2 353.382 2.762 20 5 FFBDLO COc1ccccc1C[N@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067374726 506850844 /nfs/dbraw/zinc/85/08/44/506850844.db2.gz HRUVIGXIOKLWTD-QGZVFWFLSA-N 1 2 355.394 2.841 20 5 FFBDLO COc1ccccc1C[N@@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067374726 506850849 /nfs/dbraw/zinc/85/08/49/506850849.db2.gz HRUVIGXIOKLWTD-QGZVFWFLSA-N 1 2 355.394 2.841 20 5 FFBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000067429735 506876685 /nfs/dbraw/zinc/87/66/85/506876685.db2.gz HHJOFASLXSUZPL-UHFFFAOYSA-N 1 2 374.422 2.592 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCOc1ccccc1F ZINC000015045913 507013153 /nfs/dbraw/zinc/01/31/53/507013153.db2.gz ZETRWPNYRBQMLJ-UHFFFAOYSA-N 1 2 361.373 2.992 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCOc1ccccc1F ZINC000015045913 507013160 /nfs/dbraw/zinc/01/31/60/507013160.db2.gz ZETRWPNYRBQMLJ-UHFFFAOYSA-N 1 2 361.373 2.992 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH+](Cc2ccsc2)CC1 ZINC000015106191 507019298 /nfs/dbraw/zinc/01/92/98/507019298.db2.gz HHGIVJVPTBCDGH-UHFFFAOYSA-N 1 2 374.466 2.721 20 5 FFBDLO COc1ccccc1[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1[nH+]ccn1C ZINC000018237683 507146325 /nfs/dbraw/zinc/14/63/25/507146325.db2.gz MDOHXUUNWRUFJZ-KRWDZBQOSA-N 1 2 366.377 2.856 20 5 FFBDLO COc1cccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2[nH+]ccn2C)c1 ZINC000018237484 507146895 /nfs/dbraw/zinc/14/68/95/507146895.db2.gz QASWSULMSNAYTM-QGZVFWFLSA-N 1 2 366.377 2.856 20 5 FFBDLO Cc1c(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000018826793 507152232 /nfs/dbraw/zinc/15/22/32/507152232.db2.gz ICEAIAADQLIBBR-UHFFFAOYSA-N 1 2 369.421 2.740 20 5 FFBDLO CCc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)[NH+](C)C)cc1 ZINC000022684572 507303523 /nfs/dbraw/zinc/30/35/23/507303523.db2.gz HWGLXSGTEXBBEI-KRWDZBQOSA-N 1 2 357.410 2.896 20 5 FFBDLO Cc1cc(N2CCN(C(=O)C(C)C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000057825427 507336071 /nfs/dbraw/zinc/33/60/71/507336071.db2.gz MJNLWISDAONGML-UHFFFAOYSA-N 1 2 369.425 2.665 20 5 FFBDLO COC(=O)c1oc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1C ZINC000047744628 507386951 /nfs/dbraw/zinc/38/69/51/507386951.db2.gz HAHXCCHJPQBJAJ-UHFFFAOYSA-N 1 2 359.382 2.605 20 5 FFBDLO CS(=O)(=O)c1ccc(NCCCCNc2cccc[nH+]2)c([N+](=O)[O-])c1 ZINC000060369815 507533410 /nfs/dbraw/zinc/53/34/10/507533410.db2.gz ZSCNUYPIBRHWBM-UHFFFAOYSA-N 1 2 364.427 2.698 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000027416774 507654477 /nfs/dbraw/zinc/65/44/77/507654477.db2.gz ZWQANSQPASUHSI-INIZCTEOSA-N 1 2 354.341 2.987 20 5 FFBDLO CCOc1ccc(C(=O)NCCc2cn3c(cccc3C)[nH+]2)cc1[N+](=O)[O-] ZINC000071491022 507704649 /nfs/dbraw/zinc/70/46/49/507704649.db2.gz WVFSOZLWEXFVTE-UHFFFAOYSA-N 1 2 368.393 2.922 20 5 FFBDLO CCCCc1noc([C@H](C)[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000072665199 507840412 /nfs/dbraw/zinc/84/04/12/507840412.db2.gz IZXUBFNCUUKXJW-STQMWFEESA-N 1 2 360.418 2.963 20 5 FFBDLO CCCCc1noc([C@H](C)[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000072665199 507840415 /nfs/dbraw/zinc/84/04/15/507840415.db2.gz IZXUBFNCUUKXJW-STQMWFEESA-N 1 2 360.418 2.963 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H]3[C@H](O)C(F)(F)F)n2)cc1 ZINC000109759338 507985084 /nfs/dbraw/zinc/98/50/84/507985084.db2.gz VFWRVRSGOPORAH-YPMHNXCESA-N 1 2 372.303 2.532 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3[C@H](O)C(F)(F)F)n2)cc1 ZINC000109759338 507985087 /nfs/dbraw/zinc/98/50/87/507985087.db2.gz VFWRVRSGOPORAH-YPMHNXCESA-N 1 2 372.303 2.532 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000369368251 512375076 /nfs/dbraw/zinc/37/50/76/512375076.db2.gz GGQPQSDVZRDBKR-ZDUSSCGKSA-N 1 2 367.409 2.758 20 5 FFBDLO CC(C)[C@]1(CO)CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000377650308 512376997 /nfs/dbraw/zinc/37/69/97/512376997.db2.gz LWCQXBQAOWMXDR-SJKOYZFVSA-N 1 2 369.849 2.916 20 5 FFBDLO CC(C)[C@]1(CO)CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000377650308 512377000 /nfs/dbraw/zinc/37/70/00/512377000.db2.gz LWCQXBQAOWMXDR-SJKOYZFVSA-N 1 2 369.849 2.916 20 5 FFBDLO C[C@@H](O)C1CC[NH+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000111285013 508086028 /nfs/dbraw/zinc/08/60/28/508086028.db2.gz NEXHSEZGMPTTQE-WDEREUQCSA-N 1 2 355.822 2.668 20 5 FFBDLO CCc1nn(C)c(NC[C@H](c2cccc(C)c2)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000092828590 508103748 /nfs/dbraw/zinc/10/37/48/508103748.db2.gz JFHFKZJKSFBAOU-QGZVFWFLSA-N 1 2 373.457 2.685 20 5 FFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000081021717 508126868 /nfs/dbraw/zinc/12/68/68/508126868.db2.gz DZDRWXNPTFRCBR-AWEZNQCLSA-N 1 2 355.394 2.819 20 5 FFBDLO O=C(NCc1[nH+]ccn1CCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000081928895 508218437 /nfs/dbraw/zinc/21/84/37/508218437.db2.gz HOSQDTVZQZYSLJ-UHFFFAOYSA-N 1 2 350.378 2.964 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3c(c2)[nH+]cn3C)c1C ZINC000083577542 508249348 /nfs/dbraw/zinc/24/93/48/508249348.db2.gz APVQMCFFTOEMBH-UHFFFAOYSA-N 1 2 360.395 2.899 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000102082110 508266879 /nfs/dbraw/zinc/26/68/79/508266879.db2.gz KSXOXVRSSLLUSH-UHFFFAOYSA-N 1 2 371.393 2.688 20 5 FFBDLO C[C@H](SCC[NH+]1CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000127379850 508441122 /nfs/dbraw/zinc/44/11/22/508441122.db2.gz AGUNQEIUEAEPPH-NSHDSACASA-N 1 2 373.862 2.641 20 5 FFBDLO CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000133758123 508444354 /nfs/dbraw/zinc/44/43/54/508444354.db2.gz KMOCMORTAOMWBC-UHFFFAOYSA-N 1 2 374.466 2.551 20 5 FFBDLO O=C(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N[C@H]1CCOc2ccccc21 ZINC000153078483 508545320 /nfs/dbraw/zinc/54/53/20/508545320.db2.gz VJLYGJLEVFTPCA-KRWDZBQOSA-N 1 2 367.405 2.593 20 5 FFBDLO O=C(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N[C@H]1CCOc2ccccc21 ZINC000153078483 508545322 /nfs/dbraw/zinc/54/53/22/508545322.db2.gz VJLYGJLEVFTPCA-KRWDZBQOSA-N 1 2 367.405 2.593 20 5 FFBDLO C[C@@H](C(=O)NCc1ccccc1F)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153231408 508562037 /nfs/dbraw/zinc/56/20/37/508562037.db2.gz ZLFRFTVEYGXYGZ-ZDUSSCGKSA-N 1 2 357.385 2.797 20 5 FFBDLO C[C@@H](C(=O)NCc1ccccc1F)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153231408 508562041 /nfs/dbraw/zinc/56/20/41/508562041.db2.gz ZLFRFTVEYGXYGZ-ZDUSSCGKSA-N 1 2 357.385 2.797 20 5 FFBDLO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000157697347 508599166 /nfs/dbraw/zinc/59/91/66/508599166.db2.gz TVIQVBNCWGPVNZ-UHFFFAOYSA-N 1 2 361.373 2.644 20 5 FFBDLO COc1ccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000157721433 508601653 /nfs/dbraw/zinc/60/16/53/508601653.db2.gz FSMITPHZBMGBEK-HKUYNNGSSA-N 1 2 372.421 2.928 20 5 FFBDLO COc1ccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000157721433 508601656 /nfs/dbraw/zinc/60/16/56/508601656.db2.gz FSMITPHZBMGBEK-HKUYNNGSSA-N 1 2 372.421 2.928 20 5 FFBDLO CCOc1ccnc(N2CCC[N@H+](Cc3csc([N+](=O)[O-])c3)CC2)n1 ZINC000135769427 508647799 /nfs/dbraw/zinc/64/77/99/508647799.db2.gz MSEGUKMLYSZDQZ-UHFFFAOYSA-N 1 2 363.443 2.557 20 5 FFBDLO CCOc1ccnc(N2CCC[N@@H+](Cc3csc([N+](=O)[O-])c3)CC2)n1 ZINC000135769427 508647801 /nfs/dbraw/zinc/64/78/01/508647801.db2.gz MSEGUKMLYSZDQZ-UHFFFAOYSA-N 1 2 363.443 2.557 20 5 FFBDLO CCS(=O)(=O)CC[N@H+](C)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000129117268 508686079 /nfs/dbraw/zinc/68/60/79/508686079.db2.gz JKXOPGVRIRSOMK-UHFFFAOYSA-N 1 2 359.447 2.813 20 5 FFBDLO CCS(=O)(=O)CC[N@@H+](C)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000129117268 508686081 /nfs/dbraw/zinc/68/60/81/508686081.db2.gz JKXOPGVRIRSOMK-UHFFFAOYSA-N 1 2 359.447 2.813 20 5 FFBDLO CC(C)C(=O)N1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000123637386 508718482 /nfs/dbraw/zinc/71/84/82/508718482.db2.gz SKNHLQHHBPXRIB-UHFFFAOYSA-N 1 2 371.384 2.887 20 5 FFBDLO CC(C)C(=O)N1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000123637386 508718483 /nfs/dbraw/zinc/71/84/83/508718483.db2.gz SKNHLQHHBPXRIB-UHFFFAOYSA-N 1 2 371.384 2.887 20 5 FFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000130311900 508811335 /nfs/dbraw/zinc/81/13/35/508811335.db2.gz OCUWRLYVWJUQON-ZDUSSCGKSA-N 1 2 360.439 2.879 20 5 FFBDLO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[NH+](CCOc2ccccc2)CC1 ZINC000159836255 508898700 /nfs/dbraw/zinc/89/87/00/508898700.db2.gz UPWXXHMBBZCJMN-UHFFFAOYSA-N 1 2 373.384 2.571 20 5 FFBDLO COCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccc(C)o1 ZINC000125555137 508998980 /nfs/dbraw/zinc/99/89/80/508998980.db2.gz HFJZCBFIEJFGIQ-UHFFFAOYSA-N 1 2 361.398 2.892 20 5 FFBDLO COCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccc(C)o1 ZINC000125555137 508998982 /nfs/dbraw/zinc/99/89/82/508998982.db2.gz HFJZCBFIEJFGIQ-UHFFFAOYSA-N 1 2 361.398 2.892 20 5 FFBDLO COC(=O)c1ccsc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000120540015 509017048 /nfs/dbraw/zinc/01/70/48/509017048.db2.gz OHTPDDNCROZMGB-UHFFFAOYSA-N 1 2 372.362 2.881 20 5 FFBDLO CCOc1ccc(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000120547422 509017815 /nfs/dbraw/zinc/01/78/15/509017815.db2.gz WCXDMGGARYIRAZ-CQSZACIVSA-N 1 2 372.425 2.822 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000156052080 509117950 /nfs/dbraw/zinc/11/79/50/509117950.db2.gz URZCVQXAVRXMBC-UHFFFAOYSA-N 1 2 355.398 2.648 20 5 FFBDLO Cc1ccc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000156321670 509159673 /nfs/dbraw/zinc/15/96/73/509159673.db2.gz CCMUIYKDBXQLNU-MRXNPFEDSA-N 1 2 362.430 2.622 20 5 FFBDLO CN(CCCn1cc[nH+]c1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182491818 509267171 /nfs/dbraw/zinc/26/71/71/509267171.db2.gz VSVWAQPGONHXTR-UHFFFAOYSA-N 1 2 354.313 2.555 20 5 FFBDLO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)CO1 ZINC000248466747 509334728 /nfs/dbraw/zinc/33/47/28/509334728.db2.gz SMYALAAXMIJQMP-HHXXYDBFSA-N 1 2 372.421 2.797 20 5 FFBDLO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)CO1 ZINC000248466747 509334733 /nfs/dbraw/zinc/33/47/33/509334733.db2.gz SMYALAAXMIJQMP-HHXXYDBFSA-N 1 2 372.421 2.797 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccccn3)CC2)cc1OC(F)F ZINC000267161993 509373247 /nfs/dbraw/zinc/37/32/47/509373247.db2.gz AAQYKLLIAMJLPP-UHFFFAOYSA-N 1 2 364.352 2.913 20 5 FFBDLO CCC(CC)[C@@H](C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000173142522 509415768 /nfs/dbraw/zinc/41/57/68/509415768.db2.gz KFFXENRVJYKRET-KDOFPFPSSA-N 1 2 363.458 2.909 20 5 FFBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)n1 ZINC000176288691 509423973 /nfs/dbraw/zinc/42/39/73/509423973.db2.gz ARCZGDLLJWEMNI-CQSZACIVSA-N 1 2 370.331 2.884 20 5 FFBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)n1 ZINC000176288691 509423976 /nfs/dbraw/zinc/42/39/76/509423976.db2.gz ARCZGDLLJWEMNI-CQSZACIVSA-N 1 2 370.331 2.884 20 5 FFBDLO CCc1cc(N(C)[C@@H](C)C[S@](C)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000182945840 509509524 /nfs/dbraw/zinc/50/95/24/509509524.db2.gz FTOQQUSLWYUCJB-VDBVYFBLSA-N 1 2 362.455 2.817 20 5 FFBDLO O=[N+]([O-])c1cc(C[S@@](=O)Cc2cn3ccccc3[nH+]2)c2c(c1)COCO2 ZINC000176544398 509574688 /nfs/dbraw/zinc/57/46/88/509574688.db2.gz DOJMNBZIBHUNJJ-AREMUKBSSA-N 1 2 373.390 2.558 20 5 FFBDLO C[S@@](=O)C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 ZINC000183133855 509618550 /nfs/dbraw/zinc/61/85/50/509618550.db2.gz HVZJIXIKOLWAAD-SGANQWHYSA-N 1 2 359.407 2.945 20 5 FFBDLO COc1ccc([C@H](CNc2cc(N)ccc2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000192764182 509633872 /nfs/dbraw/zinc/63/38/72/509633872.db2.gz RTYMSTYYFKFSJK-IBGZPJMESA-N 1 2 372.425 2.671 20 5 FFBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000176811629 509703543 /nfs/dbraw/zinc/70/35/43/509703543.db2.gz LSQGPOCAKYJMKN-UHFFFAOYSA-N 1 2 370.409 2.570 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000268097981 509753856 /nfs/dbraw/zinc/75/38/56/509753856.db2.gz ZXDOYYJUGLAIDU-JTQLQIEISA-N 1 2 370.818 2.540 20 5 FFBDLO C[N@@H+]1CC[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccccc1 ZINC000180146835 509778659 /nfs/dbraw/zinc/77/86/59/509778659.db2.gz KAUABHDMDALFDP-AEFFLSMTSA-N 1 2 365.393 2.646 20 5 FFBDLO C[N@H+]1CC[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccccc1 ZINC000180146835 509778667 /nfs/dbraw/zinc/77/86/67/509778667.db2.gz KAUABHDMDALFDP-AEFFLSMTSA-N 1 2 365.393 2.646 20 5 FFBDLO NC(=O)[C@H](c1ccc(F)cc1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173798962 509785564 /nfs/dbraw/zinc/78/55/64/509785564.db2.gz NVWYSZZOVISEKB-SFHVURJKSA-N 1 2 373.384 2.804 20 5 FFBDLO CCS(=O)(=O)C[C@@H](C)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000265004687 509819432 /nfs/dbraw/zinc/81/94/32/509819432.db2.gz VYGUPUXCMUPTRN-GFCCVEGCSA-N 1 2 364.427 2.595 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCN(C4CCC4)CC3)o2)c1 ZINC000265126633 509874431 /nfs/dbraw/zinc/87/44/31/509874431.db2.gz LKRXSTUPNLQDNQ-UHFFFAOYSA-N 1 2 356.426 2.962 20 5 FFBDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)Nc1ccncc1[N+](=O)[O-] ZINC000183629967 509894265 /nfs/dbraw/zinc/89/42/65/509894265.db2.gz BQLZHJKJFQNOES-UHFFFAOYSA-N 1 2 356.386 2.697 20 5 FFBDLO CN(CCC(=O)OC(C)(C)C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000177142612 509898432 /nfs/dbraw/zinc/89/84/32/509898432.db2.gz IJFDQSYPEZDCFK-UHFFFAOYSA-N 1 2 374.397 2.584 20 5 FFBDLO CC[C@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCS1 ZINC000245430902 509926453 /nfs/dbraw/zinc/92/64/53/509926453.db2.gz AJUSAJHIAWIQNE-YPMHNXCESA-N 1 2 353.444 2.758 20 5 FFBDLO CC[C@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCS1 ZINC000245430902 509926458 /nfs/dbraw/zinc/92/64/58/509926458.db2.gz AJUSAJHIAWIQNE-YPMHNXCESA-N 1 2 353.444 2.758 20 5 FFBDLO CCc1nn(C)c(NCc2[nH+]ccn2CCc2ccccc2)c1[N+](=O)[O-] ZINC000193471956 509928808 /nfs/dbraw/zinc/92/88/08/509928808.db2.gz PBSBXGOTBLQLGH-UHFFFAOYSA-N 1 2 354.414 2.942 20 5 FFBDLO CCC(=O)N1CC[C@H](Nc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000268502504 509973745 /nfs/dbraw/zinc/97/37/45/509973745.db2.gz AQDLDBXPCIEMLC-AWEZNQCLSA-N 1 2 355.398 2.783 20 5 FFBDLO CCOc1cccc(NCc2cc[nH+]c(N3CCOCC3)c2)c1[N+](=O)[O-] ZINC000184049964 510105812 /nfs/dbraw/zinc/10/58/12/510105812.db2.gz QBPKDLYQTCEURS-UHFFFAOYSA-N 1 2 358.398 2.837 20 5 FFBDLO COc1ccc(C[N@H+](C)[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1O ZINC000174630265 510216636 /nfs/dbraw/zinc/21/66/36/510216636.db2.gz XGUQNCCERGIXMI-MRXNPFEDSA-N 1 2 371.393 2.546 20 5 FFBDLO COc1ccc(C[N@@H+](C)[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1O ZINC000174630265 510216640 /nfs/dbraw/zinc/21/66/40/510216640.db2.gz XGUQNCCERGIXMI-MRXNPFEDSA-N 1 2 371.393 2.546 20 5 FFBDLO CCCCCc1[nH+]c2ccccc2n1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174652000 510230179 /nfs/dbraw/zinc/23/01/79/510230179.db2.gz XYRNDZFBVUXZPU-OAHLLOKOSA-N 1 2 357.414 2.935 20 5 FFBDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000181036523 510249983 /nfs/dbraw/zinc/24/99/83/510249983.db2.gz LHUMIUJGPMWWSM-ZDUSSCGKSA-N 1 2 372.400 2.835 20 5 FFBDLO C[N@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)Cc1ccccc1[N+](=O)[O-] ZINC000194174602 510250233 /nfs/dbraw/zinc/25/02/33/510250233.db2.gz XBSUZZHZHZUYTC-CYBMUJFWSA-N 1 2 359.348 2.828 20 5 FFBDLO C[N@@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)Cc1ccccc1[N+](=O)[O-] ZINC000194174602 510250240 /nfs/dbraw/zinc/25/02/40/510250240.db2.gz XBSUZZHZHZUYTC-CYBMUJFWSA-N 1 2 359.348 2.828 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000194293550 510300055 /nfs/dbraw/zinc/30/00/55/510300055.db2.gz KGNDWCAFIKKRSO-UHFFFAOYSA-N 1 2 368.437 2.903 20 5 FFBDLO COc1ccc(C[N@H+](C)[C@@H]2CCN(c3ccccc3F)C2=O)cc1[N+](=O)[O-] ZINC000171823352 510393649 /nfs/dbraw/zinc/39/36/49/510393649.db2.gz CHGCIZZKTGZNTP-MRXNPFEDSA-N 1 2 373.384 2.980 20 5 FFBDLO COc1ccc(C[N@@H+](C)[C@@H]2CCN(c3ccccc3F)C2=O)cc1[N+](=O)[O-] ZINC000171823352 510393656 /nfs/dbraw/zinc/39/36/56/510393656.db2.gz CHGCIZZKTGZNTP-MRXNPFEDSA-N 1 2 373.384 2.980 20 5 FFBDLO COC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccco1 ZINC000184606360 510413724 /nfs/dbraw/zinc/41/37/24/510413724.db2.gz SXSLUACDIJKREN-LBPRGKRZSA-N 1 2 353.762 2.757 20 5 FFBDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc([N+](=O)[O-])cc1O ZINC000184669984 510451756 /nfs/dbraw/zinc/45/17/56/510451756.db2.gz GDDDGVBBUOYQLE-UHFFFAOYSA-N 1 2 356.382 2.616 20 5 FFBDLO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cs1 ZINC000184678332 510455805 /nfs/dbraw/zinc/45/58/05/510455805.db2.gz BMQFDZZYEJQMTP-SNVBAGLBSA-N 1 2 364.427 2.912 20 5 FFBDLO CC[C@@H]([NH2+]Cc1csc(CS(C)(=O)=O)n1)c1cccc([N+](=O)[O-])c1 ZINC000181532818 510457794 /nfs/dbraw/zinc/45/77/94/510457794.db2.gz NFWATGKMKSIKMM-CQSZACIVSA-N 1 2 369.468 2.837 20 5 FFBDLO O=[N+]([O-])c1cc(F)c(NCc2cc[nH+]c(N3CCOCC3)c2)c(F)c1 ZINC000269615063 510484988 /nfs/dbraw/zinc/48/49/88/510484988.db2.gz GMEHYPNBXBKBEU-UHFFFAOYSA-N 1 2 350.325 2.717 20 5 FFBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000172199368 510595639 /nfs/dbraw/zinc/59/56/39/510595639.db2.gz CNIONALONJSGGH-OAHLLOKOSA-N 1 2 369.425 2.578 20 5 FFBDLO O=[N+]([O-])c1ccn(CCSc2[nH+]cnc3c2cnn3-c2ccccc2)n1 ZINC000178447045 510607628 /nfs/dbraw/zinc/60/76/28/510607628.db2.gz QXEIZOMCCYAUEL-UHFFFAOYSA-N 1 2 367.394 2.713 20 5 FFBDLO CCO[C@H]1C[C@H]([N@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000181905750 510651419 /nfs/dbraw/zinc/65/14/19/510651419.db2.gz 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/nfs/dbraw/zinc/40/95/56/513409556.db2.gz JOLOAVALMQUMLF-UHFFFAOYSA-N 1 2 360.435 2.735 20 5 FFBDLO Cc1cccc2c1C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000429558628 513409559 /nfs/dbraw/zinc/40/95/59/513409559.db2.gz JOLOAVALMQUMLF-UHFFFAOYSA-N 1 2 360.435 2.735 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])c(N(CC[NH+]2CCOCC2)Cc2ccco2)n1 ZINC000450939309 513414248 /nfs/dbraw/zinc/41/42/48/513414248.db2.gz KXFOBNHBASBYKY-UHFFFAOYSA-N 1 2 360.414 2.538 20 5 FFBDLO Cc1ccc([C@H](CNc2ncc([N+](=O)[O-])cc2F)[NH+]2CCOCC2)cc1 ZINC000413063837 513418199 /nfs/dbraw/zinc/41/81/99/513418199.db2.gz DWMNXWNBOFSDPM-KRWDZBQOSA-N 1 2 360.389 2.923 20 5 FFBDLO C[C@H]1CN(c2cccc3cnccc32)CC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000447383350 513460257 /nfs/dbraw/zinc/46/02/57/513460257.db2.gz KPTXDZWCYJMAEF-AWEZNQCLSA-N 1 2 366.425 2.587 20 5 FFBDLO C[C@H]1CN(c2cccc3cnccc32)CC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000447383350 513460263 /nfs/dbraw/zinc/46/02/63/513460263.db2.gz KPTXDZWCYJMAEF-AWEZNQCLSA-N 1 2 366.425 2.587 20 5 FFBDLO Cc1cc(N2CCC[C@H](n3ccnn3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000425276574 513488781 /nfs/dbraw/zinc/48/87/81/513488781.db2.gz HGWQDWYNRPXHQI-INIZCTEOSA-N 1 2 365.397 2.793 20 5 FFBDLO Cc1cc(N2CCC[C@@H](n3ccnn3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000425276577 513489080 /nfs/dbraw/zinc/48/90/80/513489080.db2.gz HGWQDWYNRPXHQI-MRXNPFEDSA-N 1 2 365.397 2.793 20 5 FFBDLO CC(C)CCc1cc(=NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[nH][nH]1 ZINC000451098583 513518581 /nfs/dbraw/zinc/51/85/81/513518581.db2.gz IPYYYJUEZVQNMY-UHFFFAOYSA-N 1 2 368.397 2.766 20 5 FFBDLO CC(C)CN1C[C@H]2CN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)CCN2C1=O ZINC000413258258 513552842 /nfs/dbraw/zinc/55/28/42/513552842.db2.gz CCWJTWKQIBWAPU-MRXNPFEDSA-N 1 2 369.425 2.725 20 5 FFBDLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])[C@H]1C ZINC000425443638 513570262 /nfs/dbraw/zinc/57/02/62/513570262.db2.gz LEERGSUMZXMALK-JOYOIKCWSA-N 1 2 357.204 2.741 20 5 FFBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])[C@H]1C ZINC000425443638 513570268 /nfs/dbraw/zinc/57/02/68/513570268.db2.gz LEERGSUMZXMALK-JOYOIKCWSA-N 1 2 357.204 2.741 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(Cc2csc(C)n2)CC1 ZINC000430193939 513585728 /nfs/dbraw/zinc/58/57/28/513585728.db2.gz HJXAOJGVJIQRPP-UHFFFAOYSA-N 1 2 362.455 2.686 20 5 FFBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000430269467 513606307 /nfs/dbraw/zinc/60/63/07/513606307.db2.gz QWVRMLWZSRIDFQ-HNNXBMFYSA-N 1 2 357.414 2.726 20 5 FFBDLO Cc1cc(N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)c(Br)cc1[N+](=O)[O-] ZINC000418993067 513710679 /nfs/dbraw/zinc/71/06/79/513710679.db2.gz GLYDTGGXVPYCGL-VXGBXAGGSA-N 1 2 372.263 2.557 20 5 FFBDLO Cc1cc(N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)c(Br)cc1[N+](=O)[O-] ZINC000418993067 513710683 /nfs/dbraw/zinc/71/06/83/513710683.db2.gz GLYDTGGXVPYCGL-VXGBXAGGSA-N 1 2 372.263 2.557 20 5 FFBDLO CCc1cc(N[C@H]2CCC[C@H](CO)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413620106 513738240 /nfs/dbraw/zinc/73/82/40/513738240.db2.gz XCUHZUSWHROQOC-BBRMVZONSA-N 1 2 356.426 2.999 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCSC[C@H]1C1CCC1 ZINC000419362146 513787875 /nfs/dbraw/zinc/78/78/75/513787875.db2.gz BESGAPXYTUVGLP-HNNXBMFYSA-N 1 2 365.455 2.759 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCSC[C@H]1C1CCC1 ZINC000419362146 513787878 /nfs/dbraw/zinc/78/78/78/513787878.db2.gz BESGAPXYTUVGLP-HNNXBMFYSA-N 1 2 365.455 2.759 20 5 FFBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413777851 513811064 /nfs/dbraw/zinc/81/10/64/513811064.db2.gz DXQVOTCFXGAKDS-DLBZAZTESA-N 1 2 354.410 2.890 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@H]1[C@@H]1CCCO1 ZINC000451551024 513827397 /nfs/dbraw/zinc/82/73/97/513827397.db2.gz VVSCGDIXCFBDBL-RDJZCZTQSA-N 1 2 356.382 2.564 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000426207123 513871296 /nfs/dbraw/zinc/87/12/96/513871296.db2.gz UHWTXLPRIABURL-CYBMUJFWSA-N 1 2 363.414 2.505 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000426207123 513871304 /nfs/dbraw/zinc/87/13/04/513871304.db2.gz UHWTXLPRIABURL-CYBMUJFWSA-N 1 2 363.414 2.505 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000443641925 514011280 /nfs/dbraw/zinc/01/12/80/514011280.db2.gz XARZEVMSOAUFBW-UHFFFAOYSA-N 1 2 369.347 2.669 20 5 FFBDLO CC(=O)c1ccc(O)c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000436860174 514013387 /nfs/dbraw/zinc/01/33/87/514013387.db2.gz FJAQWZCHIHRDCS-UHFFFAOYSA-N 1 2 366.333 2.941 20 5 FFBDLO C[C@H](O)C[C@@H]1CCCCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451921957 514072751 /nfs/dbraw/zinc/07/27/51/514072751.db2.gz DHDQELFWBXCDDK-HOCLYGCPSA-N 1 2 372.425 2.936 20 5 FFBDLO CC1(C)CCC[N@H+](CCNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000443963263 514084607 /nfs/dbraw/zinc/08/46/07/514084607.db2.gz SYDBDFNIDVPZAF-UHFFFAOYSA-N 1 2 355.460 2.532 20 5 FFBDLO CC1(C)CCC[N@@H+](CCNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000443963263 514084615 /nfs/dbraw/zinc/08/46/15/514084615.db2.gz SYDBDFNIDVPZAF-UHFFFAOYSA-N 1 2 355.460 2.532 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000427108465 514117993 /nfs/dbraw/zinc/11/79/93/514117993.db2.gz CVJARYRUQTXKEN-KRWDZBQOSA-N 1 2 355.394 2.732 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000427108465 514117999 /nfs/dbraw/zinc/11/79/99/514117999.db2.gz CVJARYRUQTXKEN-KRWDZBQOSA-N 1 2 355.394 2.732 20 5 FFBDLO CCN(CC)C(=O)C[N@@H+]1CCCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000432336308 514163047 /nfs/dbraw/zinc/16/30/47/514163047.db2.gz MNKOXGVWIXAYPD-UHFFFAOYSA-N 1 2 368.865 2.629 20 5 FFBDLO CCN(CC)C(=O)C[N@H+]1CCCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000432336308 514163053 /nfs/dbraw/zinc/16/30/53/514163053.db2.gz MNKOXGVWIXAYPD-UHFFFAOYSA-N 1 2 368.865 2.629 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCCC[C@H]3[C@H](O)C(F)(F)F)nc2c1 ZINC000444658826 514287349 /nfs/dbraw/zinc/28/73/49/514287349.db2.gz GKLLGSMPCKPWQS-JSGCOSHPSA-N 1 2 358.320 2.749 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCCC[C@H]3[C@H](O)C(F)(F)F)nc2c1 ZINC000444658826 514287355 /nfs/dbraw/zinc/28/73/55/514287355.db2.gz GKLLGSMPCKPWQS-JSGCOSHPSA-N 1 2 358.320 2.749 20 5 FFBDLO O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1c[nH+]c2n1CCCC2 ZINC000452333210 514289162 /nfs/dbraw/zinc/28/91/62/514289162.db2.gz IPKTYHFUSWELNX-UHFFFAOYSA-N 1 2 367.365 2.693 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444707259 514299855 /nfs/dbraw/zinc/29/98/55/514299855.db2.gz PILGPFYCKGDFOR-UHFFFAOYSA-N 1 2 365.336 2.952 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444707259 514299862 /nfs/dbraw/zinc/29/98/62/514299862.db2.gz PILGPFYCKGDFOR-UHFFFAOYSA-N 1 2 365.336 2.952 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420936929 514387420 /nfs/dbraw/zinc/38/74/20/514387420.db2.gz JDSAGYSTXBUQRQ-UTUOFQBUSA-N 1 2 355.822 2.526 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420936929 514387429 /nfs/dbraw/zinc/38/74/29/514387429.db2.gz JDSAGYSTXBUQRQ-UTUOFQBUSA-N 1 2 355.822 2.526 20 5 FFBDLO CCn1cc[nH+]c1CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000452578126 514409224 /nfs/dbraw/zinc/40/92/24/514409224.db2.gz YYBKFDFHVCJRTA-JTQLQIEISA-N 1 2 352.778 2.548 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC(OCC2CC2)CC1 ZINC000450003424 514461246 /nfs/dbraw/zinc/46/12/46/514461246.db2.gz MMZVMLYHHPMRSX-UHFFFAOYSA-N 1 2 370.409 2.812 20 5 FFBDLO Cc1c(CC(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000439090950 514492148 /nfs/dbraw/zinc/49/21/48/514492148.db2.gz MDFJOWYCKNYYHO-UHFFFAOYSA-N 1 2 370.331 2.863 20 5 FFBDLO NC(=O)c1cccc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1[N+](=O)[O-] ZINC000439099039 514493427 /nfs/dbraw/zinc/49/34/27/514493427.db2.gz IYAFEXMCZIEKJG-UHFFFAOYSA-N 1 2 355.329 2.631 20 5 FFBDLO CC(C)[C@@H]1C[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCO1 ZINC000452807107 514501907 /nfs/dbraw/zinc/50/19/07/514501907.db2.gz FYXNQEGNFJGFFF-KDOFPFPSSA-N 1 2 372.425 2.962 20 5 FFBDLO CCO[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000452813226 514504667 /nfs/dbraw/zinc/50/46/67/514504667.db2.gz ASJOSBIVMUPVKI-DYVFJYSZSA-N 1 2 358.398 2.668 20 5 FFBDLO COC(=O)COc1ccc(C[NH+]2CC(C)(C)OC(C)(C)C2)cc1[N+](=O)[O-] ZINC000475116662 514562605 /nfs/dbraw/zinc/56/26/05/514562605.db2.gz FVICPWJMKOIBBN-UHFFFAOYSA-N 1 2 366.414 2.536 20 5 FFBDLO COC(=O)COc1ccc(C[N@@H+]2CCc3cc(F)ccc3C2)cc1[N+](=O)[O-] ZINC000475119653 514564083 /nfs/dbraw/zinc/56/40/83/514564083.db2.gz PRRPDZMGOAJSLU-UHFFFAOYSA-N 1 2 374.368 2.844 20 5 FFBDLO COC(=O)COc1ccc(C[N@H+]2CCc3cc(F)ccc3C2)cc1[N+](=O)[O-] ZINC000475119653 514564087 /nfs/dbraw/zinc/56/40/87/514564087.db2.gz PRRPDZMGOAJSLU-UHFFFAOYSA-N 1 2 374.368 2.844 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC000450251575 514565700 /nfs/dbraw/zinc/56/57/00/514565700.db2.gz BRGSWPVHRSOJBE-LLVKDONJSA-N 1 2 359.398 2.850 20 5 FFBDLO Cc1ccn2cc(CNS(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])[nH+]c2c1 ZINC000497756932 514626636 /nfs/dbraw/zinc/62/66/36/514626636.db2.gz LZWKJSPYWLAUKJ-UHFFFAOYSA-N 1 2 374.422 2.646 20 5 FFBDLO O=C(NCC[NH+]1CCSCC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000488970220 514654645 /nfs/dbraw/zinc/65/46/45/514654645.db2.gz GIGIJYNRHLXSSC-UHFFFAOYSA-N 1 2 351.453 2.588 20 5 FFBDLO CNc1nc(C(=O)N2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)ccc1[N+](=O)[O-] ZINC000456049316 514922586 /nfs/dbraw/zinc/92/25/86/514922586.db2.gz WLARIJRGVSFZTA-CQSZACIVSA-N 1 2 370.413 2.611 20 5 FFBDLO Cc1cc(NCCC(=O)OC(C)(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000485191709 514951774 /nfs/dbraw/zinc/95/17/74/514951774.db2.gz XFXIULOHNWLCTQ-UHFFFAOYSA-N 1 2 358.398 2.926 20 5 FFBDLO CN(C)c1[nH+]cccc1CNc1ncc([N+](=O)[O-])cc1Br ZINC000485205466 514954604 /nfs/dbraw/zinc/95/46/04/514954604.db2.gz JHRTXRSIUFBBSC-UHFFFAOYSA-N 1 2 352.192 2.825 20 5 FFBDLO Cc1cccc(CCNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])[nH+]1 ZINC000480504314 514980072 /nfs/dbraw/zinc/98/00/72/514980072.db2.gz WPEHVRWIOXYTOK-UHFFFAOYSA-N 1 2 365.393 2.917 20 5 FFBDLO O=C1CC[C@H]2C[N@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)CC[C@H]2N1C1CC1 ZINC000509006588 514986584 /nfs/dbraw/zinc/98/65/84/514986584.db2.gz KRJMVVKFXWPTHX-APPDUMDISA-N 1 2 365.380 2.848 20 5 FFBDLO O=C1CC[C@H]2C[N@@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)CC[C@H]2N1C1CC1 ZINC000509006588 514986594 /nfs/dbraw/zinc/98/65/94/514986594.db2.gz KRJMVVKFXWPTHX-APPDUMDISA-N 1 2 365.380 2.848 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCSC[C@@H]1C1CC1 ZINC000456181709 515005583 /nfs/dbraw/zinc/00/55/83/515005583.db2.gz ONKCEPFRQOEPJC-MRXNPFEDSA-N 1 2 358.423 2.748 20 5 FFBDLO C[C@H]1C[C@@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000456402654 515160662 /nfs/dbraw/zinc/16/06/62/515160662.db2.gz FLCFLGZZADYXJK-WCBMZHEXSA-N 1 2 352.297 2.829 20 5 FFBDLO CCc1ccc([C@@H]([NH2+][C@H](C)C(=O)NCCF)c2ccc([N+](=O)[O-])cc2)o1 ZINC000503906506 515164130 /nfs/dbraw/zinc/16/41/30/515164130.db2.gz ZUZDSHCSSYWIDO-PXAZEXFGSA-N 1 2 363.389 2.903 20 5 FFBDLO CCN(CC)c1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2NC)c[nH+]1 ZINC000462935247 515307239 /nfs/dbraw/zinc/30/72/39/515307239.db2.gz IDPFWDHJOMZIJZ-UHFFFAOYSA-N 1 2 357.414 2.808 20 5 FFBDLO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000499570114 515373251 /nfs/dbraw/zinc/37/32/51/515373251.db2.gz HUGHMLPSRYGJRC-UHFFFAOYSA-N 1 2 353.382 2.627 20 5 FFBDLO CC[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000505419660 515529381 /nfs/dbraw/zinc/52/93/81/515529381.db2.gz FWEPXZKPVXIABA-MRXNPFEDSA-N 1 2 369.421 2.867 20 5 FFBDLO CC[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000505419660 515529391 /nfs/dbraw/zinc/52/93/91/515529391.db2.gz FWEPXZKPVXIABA-MRXNPFEDSA-N 1 2 369.421 2.867 20 5 FFBDLO COc1cc(C[NH+]2CCN(c3ncccc3Cl)CC2)ccc1[N+](=O)[O-] ZINC000492757143 515561915 /nfs/dbraw/zinc/56/19/15/515561915.db2.gz PAYPBHQICYQJGI-UHFFFAOYSA-N 1 2 362.817 2.974 20 5 FFBDLO COC(=O)C[N@H+](CCc1ccccc1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000492950223 515582770 /nfs/dbraw/zinc/58/27/70/515582770.db2.gz HUCWMRQTZZKDOT-UHFFFAOYSA-N 1 2 358.394 2.821 20 5 FFBDLO COC(=O)C[N@@H+](CCc1ccccc1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000492950223 515582777 /nfs/dbraw/zinc/58/27/77/515582777.db2.gz HUCWMRQTZZKDOT-UHFFFAOYSA-N 1 2 358.394 2.821 20 5 FFBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000505572221 515590775 /nfs/dbraw/zinc/59/07/75/515590775.db2.gz IFQSENXLZYIUTP-HNNXBMFYSA-N 1 2 352.350 2.523 20 5 FFBDLO COc1cc(C[NH+]2CC(C)(CO)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000459616998 515697475 /nfs/dbraw/zinc/69/74/75/515697475.db2.gz AXVGOOXWGFGLLH-UHFFFAOYSA-N 1 2 372.421 2.997 20 5 FFBDLO Cn1cc(C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000459689679 515746628 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FFBDLO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000478417710 515815182 /nfs/dbraw/zinc/81/51/82/515815182.db2.gz NNWHAZVLEYMGTA-UHFFFAOYSA-N 1 2 372.212 2.669 20 5 FFBDLO COc1cc(C[NH+]2CCN([C@H](C)c3nccs3)CC2)ccc1[N+](=O)[O-] ZINC000464596124 515886626 /nfs/dbraw/zinc/88/66/26/515886626.db2.gz BQWVJLLHOUBDJM-CYBMUJFWSA-N 1 2 362.455 2.939 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000494611087 515896269 /nfs/dbraw/zinc/89/62/69/515896269.db2.gz HRFNAPXMLJIMGF-UHFFFAOYSA-N 1 2 355.394 2.561 20 5 FFBDLO CN(C)c1[nH+]cccc1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000487800144 515981619 /nfs/dbraw/zinc/98/16/19/515981619.db2.gz OIVYODJGWPVUHE-UHFFFAOYSA-N 1 2 357.414 2.790 20 5 FFBDLO C[C@@H](Cc1ccncc1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000487834110 515998882 /nfs/dbraw/zinc/99/88/82/515998882.db2.gz IXEVPWJTUSUMQM-ZDUSSCGKSA-N 1 2 351.366 2.537 20 5 FFBDLO Cc1ccn2cc(CNC(=O)NCc3cccc([N+](=O)[O-])c3C)[nH+]c2c1 ZINC000478932140 516011643 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COCC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1cccs1 ZINC000514112812 516867563 /nfs/dbraw/zinc/86/75/63/516867563.db2.gz JYYDKMSXDDGECK-UHFFFAOYSA-N 1 2 363.439 2.768 20 5 FFBDLO COC(=O)c1oc([C@@H](C)[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1C ZINC000536996006 516998213 /nfs/dbraw/zinc/99/82/13/516998213.db2.gz ZIQNONGMULEYBQ-CYBMUJFWSA-N 1 2 374.397 2.561 20 5 FFBDLO CN(Cc1ccccc1)C(=O)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000533031389 517262652 /nfs/dbraw/zinc/26/26/52/517262652.db2.gz HBJKSOFBSOUGJG-UHFFFAOYSA-N 1 2 368.437 2.964 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H](c1nnc[nH]1)c1cccnc1 ZINC000556252252 517339845 /nfs/dbraw/zinc/33/98/45/517339845.db2.gz DVSCRHHQWDUUEY-OAHLLOKOSA-N 1 2 358.789 2.683 20 5 FFBDLO CCCCOC1CC[NH+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000542279884 517483299 /nfs/dbraw/zinc/48/32/99/517483299.db2.gz FCNOWQHQMIMZII-UHFFFAOYSA-N 1 2 370.471 2.650 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCc2cn3cc(Cl)ccc3[nH+]2)n1 ZINC000553251667 517601862 /nfs/dbraw/zinc/60/18/62/517601862.db2.gz FAZCTTLFXGYGFR-UHFFFAOYSA-N 1 2 361.745 2.690 20 5 FFBDLO C[C@H](C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1cccc([N+](=O)[O-])c1 ZINC000553298387 517631019 /nfs/dbraw/zinc/63/10/19/517631019.db2.gz PTGXJYVVCHTYEP-ZDUSSCGKSA-N 1 2 351.366 2.977 20 5 FFBDLO CCCc1n[nH]c(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000556860070 517712270 /nfs/dbraw/zinc/71/22/70/517712270.db2.gz ILGHYPJTSPZNQW-JOCQHMNTSA-N 1 2 372.429 2.819 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCc2cn3cccc(C)c3[nH+]2)c1 ZINC000542747450 517713819 /nfs/dbraw/zinc/71/38/19/517713819.db2.gz MRARHQVEYAVEOZ-UHFFFAOYSA-N 1 2 374.422 2.646 20 5 FFBDLO CNc1ccc(C(=O)Nc2ccccc2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000516542178 517731076 /nfs/dbraw/zinc/73/10/76/517731076.db2.gz CITCJAAEBUVNSI-UHFFFAOYSA-N 1 2 370.409 2.721 20 5 FFBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000516543885 517732933 /nfs/dbraw/zinc/73/29/33/517732933.db2.gz 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CCN(CC)c1ccc(CNc2ncnc3cccc([N+](=O)[O-])c32)c[nH+]1 ZINC000543450919 518098768 /nfs/dbraw/zinc/09/87/68/518098768.db2.gz HRHQCTQOCIVHAG-UHFFFAOYSA-N 1 2 352.398 2.813 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000575839977 518303483 /nfs/dbraw/zinc/30/34/83/518303483.db2.gz CTVDRSXVHLOIQD-WMZOPIPTSA-N 1 2 359.426 2.875 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000575839977 518303491 /nfs/dbraw/zinc/30/34/91/518303491.db2.gz CTVDRSXVHLOIQD-WMZOPIPTSA-N 1 2 359.426 2.875 20 5 FFBDLO COc1cc[nH+]cc1CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000581744409 518434497 /nfs/dbraw/zinc/43/44/97/518434497.db2.gz RTZMVYYEEQURSQ-UHFFFAOYSA-N 1 2 353.281 2.530 20 5 FFBDLO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000576120895 518440032 /nfs/dbraw/zinc/44/00/32/518440032.db2.gz SKDUHYDSWXVFDW-UHFFFAOYSA-N 1 2 353.382 2.894 20 5 FFBDLO Cc1cccc(C)c1OC[C@H](O)C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 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FFBDLO CCC(C)(C)[NH+]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC1 ZINC000594389450 519934056 /nfs/dbraw/zinc/93/40/56/519934056.db2.gz IJMGYLXFANFNFQ-UHFFFAOYSA-N 1 2 371.441 2.931 20 5 FFBDLO CC[NH+](CC)Cc1csc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000594582730 520037893 /nfs/dbraw/zinc/03/78/93/520037893.db2.gz ZKPZZXYUBVDRNL-UHFFFAOYSA-N 1 2 370.456 2.694 20 5 FFBDLO Cc1cccc2[nH+]c(CCNC(=O)N(C)Cc3ccccc3[N+](=O)[O-])cn21 ZINC000592056465 520158881 /nfs/dbraw/zinc/15/88/81/520158881.db2.gz WWZPTQFBQIXRKY-UHFFFAOYSA-N 1 2 367.409 2.935 20 5 FFBDLO COC1CC[NH+](Cc2cn([C@@H](C)c3cc([N+](=O)[O-])ccc3C)nn2)CC1 ZINC000603248430 520181456 /nfs/dbraw/zinc/18/14/56/520181456.db2.gz CQYFSRJHZVMJHI-AWEZNQCLSA-N 1 2 359.430 2.715 20 5 FFBDLO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1nc(COC)n[nH]1 ZINC000595071364 520279933 /nfs/dbraw/zinc/27/99/33/520279933.db2.gz XYUMHIQOMCZFLN-LLVKDONJSA-N 1 2 351.432 2.520 20 5 FFBDLO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc(COC)[nH]1 ZINC000595071364 520279943 /nfs/dbraw/zinc/27/99/43/520279943.db2.gz XYUMHIQOMCZFLN-LLVKDONJSA-N 1 2 351.432 2.520 20 5 FFBDLO O=C(C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)NCCC1=CCCCC1 ZINC000603681438 520341879 /nfs/dbraw/zinc/34/18/79/520341879.db2.gz NERLHJGHGIEHCB-UHFFFAOYSA-N 1 2 372.469 2.724 20 5 FFBDLO CCc1cc(NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc[nH+]1 ZINC000609585245 520366464 /nfs/dbraw/zinc/36/64/64/520366464.db2.gz MJPPVXHKYKJNHC-UHFFFAOYSA-N 1 2 355.320 2.912 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])o1)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000600678341 520393165 /nfs/dbraw/zinc/39/31/65/520393165.db2.gz JVBZKTNHWVGILA-UHFFFAOYSA-N 1 2 354.366 2.627 20 5 FFBDLO O=C(Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1)c1ccc([N+](=O)[O-])s1 ZINC000603911248 520402256 /nfs/dbraw/zinc/40/22/56/520402256.db2.gz UEJQAJWOUSIRCH-UHFFFAOYSA-N 1 2 373.394 2.622 20 5 FFBDLO CCc1ccc(C[NH+]2CCN(Cc3onc(C)c3[N+](=O)[O-])CC2)s1 ZINC000595327018 520408706 /nfs/dbraw/zinc/40/87/06/520408706.db2.gz BUCONMBVXMGLDF-UHFFFAOYSA-N 1 2 350.444 2.833 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000617365589 520457189 /nfs/dbraw/zinc/45/71/89/520457189.db2.gz KUOQAJBOHZNWFT-QGZVFWFLSA-N 1 2 366.377 2.856 20 5 FFBDLO O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000609992769 520497241 /nfs/dbraw/zinc/49/72/41/520497241.db2.gz OUUSUOMAWWENOT-UHFFFAOYSA-N 1 2 367.405 2.630 20 5 FFBDLO CC(C)c1noc([C@H](C)N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000604483406 520574712 /nfs/dbraw/zinc/57/47/12/520574712.db2.gz JKNREILMPLWJMZ-AWEZNQCLSA-N 1 2 359.430 2.980 20 5 FFBDLO O=[N+]([O-])c1cc2c(cc1CNC[C@@H](c1ccco1)[NH+]1CCCC1)OCCO2 ZINC000604532191 520591450 /nfs/dbraw/zinc/59/14/50/520591450.db2.gz IAVUJFDJTPBZAP-INIZCTEOSA-N 1 2 373.409 2.886 20 5 FFBDLO COc1ccc2c(c1)CC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C2 ZINC000595758728 520704742 /nfs/dbraw/zinc/70/47/42/520704742.db2.gz FEVJYXVORGGTLN-UHFFFAOYSA-N 1 2 371.393 2.609 20 5 FFBDLO COc1ccc2c(c1)CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C2 ZINC000595758728 520704749 /nfs/dbraw/zinc/70/47/49/520704749.db2.gz FEVJYXVORGGTLN-UHFFFAOYSA-N 1 2 371.393 2.609 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000595760336 520705559 /nfs/dbraw/zinc/70/55/59/520705559.db2.gz SWTFRYPZCZFHRN-OHUAYANFSA-N 1 2 353.806 2.544 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000595760336 520705567 /nfs/dbraw/zinc/70/55/67/520705567.db2.gz SWTFRYPZCZFHRN-OHUAYANFSA-N 1 2 353.806 2.544 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(C2(O)CC2)CC1 ZINC000593051768 520708833 /nfs/dbraw/zinc/70/88/33/520708833.db2.gz WDUKSDSIAXSCOG-NSHDSACASA-N 1 2 367.833 2.812 20 5 FFBDLO O=C1CCCC12CC[NH+](Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)CC2 ZINC000595807634 520739437 /nfs/dbraw/zinc/73/94/37/520739437.db2.gz RPSDXBCIRYULRO-UHFFFAOYSA-N 1 2 356.382 2.980 20 5 FFBDLO O=C1CCCC12CC[NH+]([C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000595815018 520743524 /nfs/dbraw/zinc/74/35/24/520743524.db2.gz CPLDGOLNNHHRFJ-MRXNPFEDSA-N 1 2 357.410 2.535 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(c3ccon3)CC2)c([N+](=O)[O-])c1 ZINC000595828790 520750700 /nfs/dbraw/zinc/75/07/00/520750700.db2.gz MOYKKSSMDDVZDE-LBPRGKRZSA-N 1 2 374.397 2.798 20 5 FFBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCCN(Cc4cscn4)CC3)nc2c1 ZINC000610581416 520750716 /nfs/dbraw/zinc/75/07/16/520750716.db2.gz YAEJYWMHFTYXMM-UHFFFAOYSA-N 1 2 373.438 2.900 20 5 FFBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCCN(Cc4cscn4)CC3)nc2c1 ZINC000610581416 520750722 /nfs/dbraw/zinc/75/07/22/520750722.db2.gz YAEJYWMHFTYXMM-UHFFFAOYSA-N 1 2 373.438 2.900 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595833176 520755368 /nfs/dbraw/zinc/75/53/68/520755368.db2.gz TVOLXYOSWOXCDA-QGZVFWFLSA-N 1 2 355.394 2.995 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595833176 520755372 /nfs/dbraw/zinc/75/53/72/520755372.db2.gz TVOLXYOSWOXCDA-QGZVFWFLSA-N 1 2 355.394 2.995 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595831574 520756425 /nfs/dbraw/zinc/75/64/25/520756425.db2.gz KBWMBFCFLAKUFL-QGZVFWFLSA-N 1 2 355.394 2.995 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595831574 520756433 /nfs/dbraw/zinc/75/64/33/520756433.db2.gz KBWMBFCFLAKUFL-QGZVFWFLSA-N 1 2 355.394 2.995 20 5 FFBDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601367627 520758991 /nfs/dbraw/zinc/75/89/91/520758991.db2.gz VHGJTRUEBGEOKA-INIZCTEOSA-N 1 2 366.421 2.807 20 5 FFBDLO COc1ccc(OCC[N@@H+]2C[C@@H](C)O[C@](C)(C(F)F)C2)c([N+](=O)[O-])c1 ZINC000595920933 520824880 /nfs/dbraw/zinc/82/48/80/520824880.db2.gz VCHNARGXBQXNOD-BZNIZROVSA-N 1 2 360.357 2.727 20 5 FFBDLO COc1ccc(OCC[N@H+]2C[C@@H](C)O[C@](C)(C(F)F)C2)c([N+](=O)[O-])c1 ZINC000595920933 520824886 /nfs/dbraw/zinc/82/48/86/520824886.db2.gz VCHNARGXBQXNOD-BZNIZROVSA-N 1 2 360.357 2.727 20 5 FFBDLO COc1cccc(C(=O)NCCc2cn3cccc(C)c3[nH+]2)c1[N+](=O)[O-] ZINC000618103644 520883324 /nfs/dbraw/zinc/88/33/24/520883324.db2.gz QWJDJUAFKXBVRA-UHFFFAOYSA-N 1 2 354.366 2.532 20 5 FFBDLO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000610964273 520920746 /nfs/dbraw/zinc/92/07/46/520920746.db2.gz ZFWYJCVIOLZWGQ-UHFFFAOYSA-N 1 2 367.283 2.912 20 5 FFBDLO O=c1[nH]cnc2cc(NCc3ccc[nH+]c3N3CCCC3)c([N+](=O)[O-])cc21 ZINC000596357427 521039596 /nfs/dbraw/zinc/03/95/96/521039596.db2.gz OZSJQSMKOMCWQW-UHFFFAOYSA-N 1 2 366.381 2.851 20 5 FFBDLO COc1ccc(C[N@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1O ZINC000611264526 521066451 /nfs/dbraw/zinc/06/64/51/521066451.db2.gz MBDXWGMTBABICM-UHFFFAOYSA-N 1 2 360.366 2.712 20 5 FFBDLO COc1ccc(C[N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1O ZINC000611264526 521066459 /nfs/dbraw/zinc/06/64/59/521066459.db2.gz MBDXWGMTBABICM-UHFFFAOYSA-N 1 2 360.366 2.712 20 5 FFBDLO CC(=O)c1ccc(N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)c([N+](=O)[O-])c1 ZINC000596513687 521106553 /nfs/dbraw/zinc/10/65/53/521106553.db2.gz CSFVBMMAEHMLEY-QZTJIDSGSA-N 1 2 359.426 2.853 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000611488169 521183432 /nfs/dbraw/zinc/18/34/32/521183432.db2.gz YXFKHOCDXWRPEW-AWEZNQCLSA-N 1 2 373.461 2.874 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000611488169 521183439 /nfs/dbraw/zinc/18/34/39/521183439.db2.gz YXFKHOCDXWRPEW-AWEZNQCLSA-N 1 2 373.461 2.874 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000611488169 521183449 /nfs/dbraw/zinc/18/34/49/521183449.db2.gz YXFKHOCDXWRPEW-AWEZNQCLSA-N 1 2 373.461 2.874 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000611488169 521183459 /nfs/dbraw/zinc/18/34/59/521183459.db2.gz YXFKHOCDXWRPEW-AWEZNQCLSA-N 1 2 373.461 2.874 20 5 FFBDLO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC[NH+](CCc2ccncc2)CC1 ZINC000602196708 521203169 /nfs/dbraw/zinc/20/31/69/521203169.db2.gz ADDPCAIJYVKZKB-UHFFFAOYSA-N 1 2 374.828 2.644 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](OC(F)F)C2)c([N+](=O)[O-])c1 ZINC000611579165 521231902 /nfs/dbraw/zinc/23/19/02/521231902.db2.gz SAQCSHUDVAALKH-JQWIXIFHSA-N 1 2 373.356 2.634 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](OC(F)F)C2)c([N+](=O)[O-])c1 ZINC000611579165 521231909 /nfs/dbraw/zinc/23/19/09/521231909.db2.gz SAQCSHUDVAALKH-JQWIXIFHSA-N 1 2 373.356 2.634 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](OC(F)F)C3)o2)cc1 ZINC000611579371 521232129 /nfs/dbraw/zinc/23/21/29/521232129.db2.gz VSYOKHMRPKPFFU-GFCCVEGCSA-N 1 2 354.313 2.848 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@H](OC(F)F)C3)o2)cc1 ZINC000611579371 521232134 /nfs/dbraw/zinc/23/21/34/521232134.db2.gz VSYOKHMRPKPFFU-GFCCVEGCSA-N 1 2 354.313 2.848 20 5 FFBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611708434 521291193 /nfs/dbraw/zinc/29/11/93/521291193.db2.gz DECNBOMGZDHEIH-UHFFFAOYSA-N 1 2 366.303 2.933 20 5 FFBDLO CCOc1cc2c(cc1OCC)C[N@H+](Cc1cn(C)nc1[N+](=O)[O-])CC2 ZINC000602436958 521343621 /nfs/dbraw/zinc/34/36/21/521343621.db2.gz PJKFOLHCRJEDBP-UHFFFAOYSA-N 1 2 360.414 2.684 20 5 FFBDLO CCOc1cc2c(cc1OCC)C[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])CC2 ZINC000602436958 521343628 /nfs/dbraw/zinc/34/36/28/521343628.db2.gz PJKFOLHCRJEDBP-UHFFFAOYSA-N 1 2 360.414 2.684 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCc3c(O)cccc3C2)c([N+](=O)[O-])c1 ZINC000599645947 521356607 /nfs/dbraw/zinc/35/66/07/521356607.db2.gz IDGMDZJEQWBEGG-LBPRGKRZSA-N 1 2 371.393 2.694 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCc3c(O)cccc3C2)c([N+](=O)[O-])c1 ZINC000599645947 521356616 /nfs/dbraw/zinc/35/66/16/521356616.db2.gz IDGMDZJEQWBEGG-LBPRGKRZSA-N 1 2 371.393 2.694 20 5 FFBDLO CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@H]1CCCCO1 ZINC000594179273 521453613 /nfs/dbraw/zinc/45/36/13/521453613.db2.gz WZGVQVGLVUFHDN-RHSMWYFYSA-N 1 2 358.398 2.858 20 5 FFBDLO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@H](n3cccn3)C(F)(F)F)nc2c1 ZINC000602720446 521494704 /nfs/dbraw/zinc/49/47/04/521494704.db2.gz GXNDCGRQCFMKBP-LBPRGKRZSA-N 1 2 355.276 2.826 20 5 FFBDLO O=[N+]([O-])c1ccc2oc(CN3CC[NH+](Cc4ccc(O)cc4)CC3)nc2c1 ZINC000602749079 521513340 /nfs/dbraw/zinc/51/33/40/521513340.db2.gz JRIPCLGXGDILQD-UHFFFAOYSA-N 1 2 368.393 2.759 20 5 FFBDLO C[C@H]1CN(c2cccc3cnccc32)CC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602817964 521551877 /nfs/dbraw/zinc/55/18/77/521551877.db2.gz LCFQRSYIVZFXOO-AWEZNQCLSA-N 1 2 366.425 2.587 20 5 FFBDLO C[C@H]1CN(c2cccc3cnccc32)CC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602817964 521551880 /nfs/dbraw/zinc/55/18/80/521551880.db2.gz LCFQRSYIVZFXOO-AWEZNQCLSA-N 1 2 366.425 2.587 20 5 FFBDLO COc1cc(CN(C)Cc2c[nH+]c[nH]2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000597171185 521552621 /nfs/dbraw/zinc/55/26/21/521552621.db2.gz DLRJBTPHZTZODS-UHFFFAOYSA-N 1 2 374.319 2.900 20 5 FFBDLO COc1cc(CN(C)Cc2c[nH]c[nH+]2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000597171185 521552628 /nfs/dbraw/zinc/55/26/28/521552628.db2.gz DLRJBTPHZTZODS-UHFFFAOYSA-N 1 2 374.319 2.900 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000615994452 521596521 /nfs/dbraw/zinc/59/65/21/521596521.db2.gz FIKSCXXVOJMFSY-MDZRGWNJSA-N 1 2 361.442 2.797 20 5 FFBDLO Cc1cc(N2CC[NH+](C(C)(C)CO)CC2)c(Br)cc1[N+](=O)[O-] ZINC000616059670 521612226 /nfs/dbraw/zinc/61/22/26/521612226.db2.gz OMGLEOQSUBSIRC-UHFFFAOYSA-N 1 2 372.263 2.559 20 5 FFBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000619757028 521856102 /nfs/dbraw/zinc/85/61/02/521856102.db2.gz YZVKOJRXLGSANF-UHFFFAOYSA-N 1 2 368.437 2.795 20 5 FFBDLO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1Nc1ccc([NH+]2CCCCC2)cc1 ZINC000823624699 607162206 /nfs/dbraw/zinc/16/22/06/607162206.db2.gz FDZVFSDMVGPHHP-UHFFFAOYSA-N 1 2 366.385 2.904 20 5 FFBDLO CC[NH+](CC)Cc1csc(NC(=O)CNc2ccccc2[N+](=O)[O-])n1 ZINC000743874318 735323828 /nfs/dbraw/zinc/32/38/28/735323828.db2.gz KUXDZVJQUPEVAI-UHFFFAOYSA-N 1 2 363.443 2.944 20 5 FFBDLO COC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000112986067 728551447 /nfs/dbraw/zinc/55/14/47/728551447.db2.gz WZUGRXDNAVPMAN-RYUDHWBXSA-N 1 2 355.822 2.934 20 5 FFBDLO COC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000112986067 728551449 /nfs/dbraw/zinc/55/14/49/728551449.db2.gz WZUGRXDNAVPMAN-RYUDHWBXSA-N 1 2 355.822 2.934 20 5 FFBDLO COCCOC1CC[NH+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CC1 ZINC000116868783 728574015 /nfs/dbraw/zinc/57/40/15/728574015.db2.gz OAKCUKLLLCWRMD-UHFFFAOYSA-N 1 2 367.427 2.957 20 5 FFBDLO COC[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccco1 ZINC000754338268 736149123 /nfs/dbraw/zinc/14/91/23/736149123.db2.gz BDZUFGGBHZQYIR-GFCCVEGCSA-N 1 2 353.762 2.757 20 5 FFBDLO CN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)C(C)(C)C[NH+]1CCOCC1 ZINC000910573094 737092298 /nfs/dbraw/zinc/09/22/98/737092298.db2.gz NXWBPLNQFFPLLK-UHFFFAOYSA-N 1 2 373.812 2.570 20 5 FFBDLO CNC(=O)CC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000929768755 739019646 /nfs/dbraw/zinc/01/96/46/739019646.db2.gz VHUODYPLVLECIM-UHFFFAOYSA-N 1 2 370.247 2.705 20 5 FFBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000931625795 739299523 /nfs/dbraw/zinc/29/95/23/739299523.db2.gz HUXJPQVBYVAFPX-LBPRGKRZSA-N 1 2 370.837 2.741 20 5 FFBDLO Nc1cc(COC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc[nH+]1 ZINC000791454609 739566581 /nfs/dbraw/zinc/56/65/81/739566581.db2.gz GSYVZLOOFNMAIJ-UHFFFAOYSA-N 1 2 352.144 2.692 20 5 FFBDLO Nc1cc(COC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc[nH+]1 ZINC000791996032 739623759 /nfs/dbraw/zinc/62/37/59/739623759.db2.gz WWCMLQITLWDFNN-UHFFFAOYSA-N 1 2 352.144 2.692 20 5 FFBDLO CCOc1cc(C[N@@H+]2CCOC[C@@H]2C[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000933664980 739669320 /nfs/dbraw/zinc/66/93/20/739669320.db2.gz HYVLACBPDQMTHD-HOTGVXAUSA-N 1 2 350.415 2.621 20 5 FFBDLO CCOc1cc(C[N@H+]2CCOC[C@@H]2C[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000933664980 739669324 /nfs/dbraw/zinc/66/93/24/739669324.db2.gz HYVLACBPDQMTHD-HOTGVXAUSA-N 1 2 350.415 2.621 20 5 FFBDLO C[C@]12CSC[C@H]1C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000934773744 739838501 /nfs/dbraw/zinc/83/85/01/739838501.db2.gz MTRHTKDDDXFPLL-BMIGLBTASA-N 1 2 355.847 2.872 20 5 FFBDLO C[C@]12CSC[C@H]1C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000934773744 739838507 /nfs/dbraw/zinc/83/85/07/739838507.db2.gz MTRHTKDDDXFPLL-BMIGLBTASA-N 1 2 355.847 2.872 20 5 FFBDLO O=C(O[C@@H]1CC[N@H+](CCF)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000802240678 740689289 /nfs/dbraw/zinc/68/92/89/740689289.db2.gz CUPJDGJDDJTHLU-CYBMUJFWSA-N 1 2 365.386 2.919 20 5 FFBDLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000802240678 740689291 /nfs/dbraw/zinc/68/92/91/740689291.db2.gz CUPJDGJDDJTHLU-CYBMUJFWSA-N 1 2 365.386 2.919 20 5 FFBDLO Cc1ccc(NC[C@@H](C)[NH+]2CCN(C)CC2)c([N+](=O)[O-])c1Br ZINC000804421177 740871176 /nfs/dbraw/zinc/87/11/76/740871176.db2.gz JUQLVMWNPFZVFS-GFCCVEGCSA-N 1 2 371.279 2.714 20 5 FFBDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815023849 741884989 /nfs/dbraw/zinc/88/49/89/741884989.db2.gz KDOXHZLCHPYJIY-UHFFFAOYSA-N 1 2 359.766 2.998 20 5 FFBDLO Cc1nn(C[N@H+]2CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000842615163 747638530 /nfs/dbraw/zinc/63/85/30/747638530.db2.gz MCKFHOICRYSMRV-FZMZJTMJSA-N 1 2 352.435 2.665 20 5 FFBDLO Cc1nn(C[N@@H+]2CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000842615163 747638531 /nfs/dbraw/zinc/63/85/31/747638531.db2.gz MCKFHOICRYSMRV-FZMZJTMJSA-N 1 2 352.435 2.665 20 5 FFBDLO C[C@H](CO)C1CC[NH+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000844416677 748025448 /nfs/dbraw/zinc/02/54/48/748025448.db2.gz PQEPISLNPBIOIT-LLVKDONJSA-N 1 2 355.822 2.527 20 5 FFBDLO C[C@@H]1CC[N@H+](CC(=O)N[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)C1 ZINC000848224173 748880104 /nfs/dbraw/zinc/88/01/04/748880104.db2.gz LLFCTEUWJHXWTD-OTYXRUKQSA-N 1 2 363.311 2.795 20 5 FFBDLO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)C1 ZINC000848224173 748880106 /nfs/dbraw/zinc/88/01/06/748880106.db2.gz LLFCTEUWJHXWTD-OTYXRUKQSA-N 1 2 363.311 2.795 20 5 FFBDLO C[C@@H]1C[N@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)CCC1(F)F ZINC000848491078 748940121 /nfs/dbraw/zinc/94/01/21/748940121.db2.gz RHQIUSAOTDWZJS-IUODEOHRSA-N 1 2 353.369 2.845 20 5 FFBDLO C[C@@H]1C[N@@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)CCC1(F)F ZINC000848491078 748940127 /nfs/dbraw/zinc/94/01/27/748940127.db2.gz RHQIUSAOTDWZJS-IUODEOHRSA-N 1 2 353.369 2.845 20 5 FFBDLO Cc1cc(C)c(CNC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000848591012 748968710 /nfs/dbraw/zinc/96/87/10/748968710.db2.gz IMLHKIWNEGKIKP-UHFFFAOYSA-N 1 2 351.309 2.895 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000852534165 749886007 /nfs/dbraw/zinc/88/60/07/749886007.db2.gz HZNUKTLCBGEQSB-GLKRBJQHSA-N 1 2 353.806 2.544 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000852534165 749886011 /nfs/dbraw/zinc/88/60/11/749886011.db2.gz HZNUKTLCBGEQSB-GLKRBJQHSA-N 1 2 353.806 2.544 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000852699974 749928457 /nfs/dbraw/zinc/92/84/57/749928457.db2.gz ADIGRZFITDMTHH-UVWXRNBGSA-N 1 2 355.822 2.526 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000852699974 749928464 /nfs/dbraw/zinc/92/84/64/749928464.db2.gz ADIGRZFITDMTHH-UVWXRNBGSA-N 1 2 355.822 2.526 20 5 FFBDLO C[C@H](C(=O)NC1CCC(C)CC1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000025556669 971397352 /nfs/dbraw/zinc/39/73/52/971397352.db2.gz VDLSKVXJKTYQOI-AQFXKWCLSA-N 1 2 374.485 2.800 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1ccc([N+](=O)[O-])cc1 ZINC000872108844 1013147020 /nfs/dbraw/zinc/14/70/20/1013147020.db2.gz YINDMZKWPLCPLQ-LEUOFYLZSA-N 1 2 356.426 2.965 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3C[C@@H](CO)[C@H](C(F)(F)F)C3)c2)cc1 ZINC000872687524 1013248439 /nfs/dbraw/zinc/24/84/39/1013248439.db2.gz JOVTYQXSYFVTLP-DZGCQCFKSA-N 1 2 370.331 2.518 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3C[C@@H](CO)[C@H](C(F)(F)F)C3)c2)cc1 ZINC000872687524 1013248449 /nfs/dbraw/zinc/24/84/49/1013248449.db2.gz JOVTYQXSYFVTLP-DZGCQCFKSA-N 1 2 370.331 2.518 20 5 FFBDLO NC(=[NH2+])N(c1ccc(F)cc1)c1cc([N+](=O)[O-])cc(Br)n1 ZINC001167991980 967134202 /nfs/dbraw/zinc/13/42/02/967134202.db2.gz NGWOCXOVQAEERK-UHFFFAOYSA-N 1 2 354.139 2.923 20 5 FFBDLO O=[N+]([O-])c1cc(F)c(Br)c(O[C@@H]2CC[NH2+]CC2(F)F)c1 ZINC001218013087 969337145 /nfs/dbraw/zinc/33/71/45/969337145.db2.gz YFWGTRKULZBDLL-SECBINFHSA-N 1 2 355.110 2.872 20 5 FFBDLO Cc1c(C(=O)NCc2ccn3cc[nH+]c3c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000178073740 969437688 /nfs/dbraw/zinc/43/76/88/969437688.db2.gz DLZNFDAFVFDHSH-UHFFFAOYSA-N 1 2 369.337 2.698 20 5 FFBDLO C[C@H](CNC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccccc1[N+](=O)[O-] ZINC000897071004 973220566 /nfs/dbraw/zinc/22/05/66/973220566.db2.gz LGXIKHPXMSMRLZ-CQSZACIVSA-N 1 2 357.414 2.942 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1C ZINC000889085394 975161272 /nfs/dbraw/zinc/16/12/72/975161272.db2.gz PGHINBCNHBJBPR-INIZCTEOSA-N 1 2 361.442 2.539 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1F ZINC000876921248 1014422323 /nfs/dbraw/zinc/42/23/23/1014422323.db2.gz NAZWZYHPKCBCPU-FVKWTLKZSA-N 1 2 370.388 2.747 20 5 FFBDLO C[C@@H]1CN(c2ccc(NC3CC(n4cc([N+](=O)[O-])cn4)C3)c[nH+]2)C[C@H](C)O1 ZINC000877161135 1014495309 /nfs/dbraw/zinc/49/53/09/1014495309.db2.gz GCEOHMTYMWSTGL-YPXDRJKUSA-N 1 2 372.429 2.616 20 5 FFBDLO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC001126993313 980345362 /nfs/dbraw/zinc/34/53/62/980345362.db2.gz VCLDYHRYOMLZMD-UHFFFAOYSA-N 1 2 374.372 2.835 20 5 FFBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000026234634 980729605 /nfs/dbraw/zinc/72/96/05/980729605.db2.gz ICLNZRZASAESTK-OAHLLOKOSA-N 1 2 365.389 2.855 20 5 FFBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000026234634 980729606 /nfs/dbraw/zinc/72/96/06/980729606.db2.gz ICLNZRZASAESTK-OAHLLOKOSA-N 1 2 365.389 2.855 20 5 FFBDLO Cc1ccccc1[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001152129916 1032109099 /nfs/dbraw/zinc/10/90/99/1032109099.db2.gz GOUNAUPLXGEQCG-MRXNPFEDSA-N 1 2 366.377 2.552 20 5 FFBDLO O=[N+]([O-])c1ccc2c(cnn2CN2CC[NH+](Cc3cccc(F)c3)CC2)c1 ZINC000765125104 984969772 /nfs/dbraw/zinc/96/97/72/984969772.db2.gz DXLVPUDEZOLYLP-UHFFFAOYSA-N 1 2 369.400 2.859 20 5 FFBDLO COc1ccc(-c2noc(-c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)n2)cn1 ZINC000171802855 985408696 /nfs/dbraw/zinc/40/86/96/985408696.db2.gz VUWARVULBOVBLK-UHFFFAOYSA-N 1 2 364.321 2.901 20 5 FFBDLO CC(C)(C)OCCC[NH+]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000921858598 987265031 /nfs/dbraw/zinc/26/50/31/987265031.db2.gz GALKDLSWSICFSG-UHFFFAOYSA-N 1 2 367.421 2.697 20 5 FFBDLO COc1cccc(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)c1[N+](=O)[O-] ZINC000193863701 989092161 /nfs/dbraw/zinc/09/21/61/989092161.db2.gz FXBFIHZGXAJSPF-UHFFFAOYSA-N 1 2 369.421 2.870 20 5 FFBDLO COc1cccc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC000194279146 989203575 /nfs/dbraw/zinc/20/35/75/989203575.db2.gz OMHPLCDYABADFJ-UHFFFAOYSA-N 1 2 366.377 2.778 20 5 FFBDLO COc1cccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1[N+](=O)[O-] ZINC000194332109 989210107 /nfs/dbraw/zinc/21/01/07/989210107.db2.gz XNCBAYSRIPXTMH-UHFFFAOYSA-N 1 2 371.393 2.688 20 5 FFBDLO Cc1ccc([C@@H](O)CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000032667432 989725852 /nfs/dbraw/zinc/72/58/52/989725852.db2.gz UPCBHBGIJSYVSS-SFHVURJKSA-N 1 2 366.377 2.552 20 5 FFBDLO C[N@H+](CCOc1ccccc1)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000154670335 990360997 /nfs/dbraw/zinc/36/09/97/990360997.db2.gz KRJPAYMXWMSBOZ-UHFFFAOYSA-N 1 2 370.409 2.805 20 5 FFBDLO C[N@@H+](CCOc1ccccc1)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000154670335 990361013 /nfs/dbraw/zinc/36/10/13/990361013.db2.gz KRJPAYMXWMSBOZ-UHFFFAOYSA-N 1 2 370.409 2.805 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001132815998 995148795 /nfs/dbraw/zinc/14/87/95/995148795.db2.gz ZEQWJJWBEJWGNC-KRWDZBQOSA-N 1 2 366.377 2.971 20 5 FFBDLO CC(C)(CCc1noc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1)[N+](=O)[O-] ZINC000812816463 995538184 /nfs/dbraw/zinc/53/81/84/995538184.db2.gz SKLXHIPQLBENEK-OAHLLOKOSA-N 1 2 360.414 2.631 20 5 FFBDLO CC(C)(CCc1noc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1)[N+](=O)[O-] ZINC000812816463 995538193 /nfs/dbraw/zinc/53/81/93/995538193.db2.gz SKLXHIPQLBENEK-OAHLLOKOSA-N 1 2 360.414 2.631 20 5 FFBDLO O=C(CSc1ccncc1)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173115 995633668 /nfs/dbraw/zinc/63/36/68/995633668.db2.gz WIYDQCVOIUPIAB-INIZCTEOSA-N 1 2 373.434 2.900 20 5 FFBDLO O=C(CSc1ccncc1)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173115 995633670 /nfs/dbraw/zinc/63/36/70/995633670.db2.gz WIYDQCVOIUPIAB-INIZCTEOSA-N 1 2 373.434 2.900 20 5 FFBDLO O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1C[NH+]1CCC2(CC2(F)F)CC1 ZINC000844729062 998102014 /nfs/dbraw/zinc/10/20/14/998102014.db2.gz QFYMVZFLHNVVLQ-OAHLLOKOSA-N 1 2 367.352 2.611 20 5 FFBDLO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[NH+]1CCC2(CC2(F)F)CC1 ZINC000844729061 998102032 /nfs/dbraw/zinc/10/20/32/998102032.db2.gz QFYMVZFLHNVVLQ-HNNXBMFYSA-N 1 2 367.352 2.611 20 5 FFBDLO COc1cccc(C[N@H+](C)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)c1 ZINC000742144685 999759572 /nfs/dbraw/zinc/75/95/72/999759572.db2.gz SNHCMJKSZDKKAS-UHFFFAOYSA-N 1 2 353.382 2.951 20 5 FFBDLO COc1cccc(C[N@@H+](C)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)c1 ZINC000742144685 999759573 /nfs/dbraw/zinc/75/95/73/999759573.db2.gz SNHCMJKSZDKKAS-UHFFFAOYSA-N 1 2 353.382 2.951 20 5 FFBDLO C[C@@H](OC(C)(C)C)[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC001168958530 1000012656 /nfs/dbraw/zinc/01/26/56/1000012656.db2.gz OBJVGUZQLHGQLI-BARDWOONSA-N 1 2 358.479 2.935 20 5 FFBDLO C[C@@H]1c2ncc(COc3cccnc3)n2CC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169023313 1000017936 /nfs/dbraw/zinc/01/79/36/1000017936.db2.gz FHOPUPRXAWOXIR-PMPSAXMXSA-N 1 2 371.441 2.679 20 5 FFBDLO C[C@@H]1c2ncc(COc3cccnc3)n2CC[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169023313 1000017937 /nfs/dbraw/zinc/01/79/37/1000017937.db2.gz FHOPUPRXAWOXIR-PMPSAXMXSA-N 1 2 371.441 2.679 20 5 FFBDLO Cc1ccnc(C2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)n1 ZINC000769796320 1000605557 /nfs/dbraw/zinc/60/55/57/1000605557.db2.gz PEOQQPBELYDCCU-UHFFFAOYSA-N 1 2 352.398 2.949 20 5 FFBDLO Cc1ccc2c(=O)c3cccc(CC(=O)N4CC[NH+](C)CC4)c3oc2c1C ZINC001182505768 1001938383 /nfs/dbraw/zinc/93/83/83/1001938383.db2.gz GHOYYULADYFHRU-UHFFFAOYSA-N 1 2 364.445 2.880 20 5 FFBDLO CCn1ccc(C[N@H+](C)Cn2cc(C)n(-c3ccccc3[N+](=O)[O-])c2=O)c1 ZINC000790452835 1002381113 /nfs/dbraw/zinc/38/11/13/1002381113.db2.gz YLUCMZVVRYTFQP-UHFFFAOYSA-N 1 2 369.425 2.767 20 5 FFBDLO CCn1ccc(C[N@@H+](C)Cn2cc(C)n(-c3ccccc3[N+](=O)[O-])c2=O)c1 ZINC000790452835 1002381120 /nfs/dbraw/zinc/38/11/20/1002381120.db2.gz YLUCMZVVRYTFQP-UHFFFAOYSA-N 1 2 369.425 2.767 20 5 FFBDLO O=[N+]([O-])CCN1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000791053087 1002564000 /nfs/dbraw/zinc/56/40/00/1002564000.db2.gz HTVIUUOJTPVDHW-UHFFFAOYSA-N 1 2 361.392 2.949 20 5 FFBDLO CCOC(=O)c1cc([N+](=O)[O-])c(NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)cc1C ZINC001186990167 1003520987 /nfs/dbraw/zinc/52/09/87/1003520987.db2.gz SJYGMNGDLTUNBA-KBPBESRZSA-N 1 2 365.430 2.601 20 5 FFBDLO CCOC(=O)c1cc([N+](=O)[O-])c(NCC[N@H+]2C[C@H](C)OC[C@@H]2C)cc1C ZINC001186990167 1003520996 /nfs/dbraw/zinc/52/09/96/1003520996.db2.gz SJYGMNGDLTUNBA-KBPBESRZSA-N 1 2 365.430 2.601 20 5 FFBDLO COc1ccc(C[N@@H+]2CCCN(C(=O)OCC(C)C)CC2)cc1[N+](=O)[O-] ZINC000101555125 1004863023 /nfs/dbraw/zinc/86/30/23/1004863023.db2.gz WDEOWVCOQFRURV-UHFFFAOYSA-N 1 2 365.430 2.904 20 5 FFBDLO COc1ccc(C[N@H+]2CCCN(C(=O)OCC(C)C)CC2)cc1[N+](=O)[O-] ZINC000101555125 1004863026 /nfs/dbraw/zinc/86/30/26/1004863026.db2.gz WDEOWVCOQFRURV-UHFFFAOYSA-N 1 2 365.430 2.904 20 5 FFBDLO O=C(O[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000776559097 1005933286 /nfs/dbraw/zinc/93/32/86/1005933286.db2.gz JFGVXKFOVHAHLV-MRXNPFEDSA-N 1 2 355.394 2.843 20 5 FFBDLO O=C(O[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCC3)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000776559097 1005933287 /nfs/dbraw/zinc/93/32/87/1005933287.db2.gz JFGVXKFOVHAHLV-MRXNPFEDSA-N 1 2 355.394 2.843 20 5 FFBDLO C[C@H]1COC2(CCCC2)C[N@@H+]1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000853580111 1006456008 /nfs/dbraw/zinc/45/60/08/1006456008.db2.gz MAPDXIGEEGYOLZ-MAUKXSAKSA-N 1 2 373.453 2.902 20 5 FFBDLO C[C@H]1COC2(CCCC2)C[N@H+]1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000853580111 1006456017 /nfs/dbraw/zinc/45/60/17/1006456017.db2.gz MAPDXIGEEGYOLZ-MAUKXSAKSA-N 1 2 373.453 2.902 20 5 FFBDLO CN(c1ccccc1)[C@@H]1CC[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000853584290 1006459925 /nfs/dbraw/zinc/45/99/25/1006459925.db2.gz HDVMDRNHYUJFHY-OAHLLOKOSA-N 1 2 368.393 2.671 20 5 FFBDLO CN(c1ccccc1)[C@@H]1CC[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000853584290 1006459931 /nfs/dbraw/zinc/45/99/31/1006459931.db2.gz HDVMDRNHYUJFHY-OAHLLOKOSA-N 1 2 368.393 2.671 20 5 FFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000853593125 1006466068 /nfs/dbraw/zinc/46/60/68/1006466068.db2.gz DZLNPBCWOBZNEH-OAHLLOKOSA-N 1 2 355.350 2.614 20 5 FFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000853593125 1006466074 /nfs/dbraw/zinc/46/60/74/1006466074.db2.gz DZLNPBCWOBZNEH-OAHLLOKOSA-N 1 2 355.350 2.614 20 5 FFBDLO CCc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)[NH+](C)C)cc1 ZINC001135714550 1007236737 /nfs/dbraw/zinc/23/67/37/1007236737.db2.gz LFQPLKGXUAVFIW-KRWDZBQOSA-N 1 2 357.410 2.896 20 5 FFBDLO O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000886029713 1008519429 /nfs/dbraw/zinc/51/94/29/1008519429.db2.gz AASKTCUCDLDHCJ-KRWDZBQOSA-N 1 2 354.410 2.774 20 5 FFBDLO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000886029713 1008519436 /nfs/dbraw/zinc/51/94/36/1008519436.db2.gz AASKTCUCDLDHCJ-KRWDZBQOSA-N 1 2 354.410 2.774 20 5 FFBDLO Cc1ccc(C[NH2+][C@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)cc1[N+](=O)[O-] ZINC001178370308 1008958149 /nfs/dbraw/zinc/95/81/49/1008958149.db2.gz XGLSVDLNXOGLSN-CYBMUJFWSA-N 1 2 371.401 2.948 20 5 FFBDLO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CCOCC1 ZINC000887385799 1009185065 /nfs/dbraw/zinc/18/50/65/1009185065.db2.gz BWGGWDBVDJCZAB-UHFFFAOYSA-N 1 2 372.425 2.963 20 5 FFBDLO O=c1[nH]cc(-c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)cc1[N+](=O)[O-] ZINC001212844473 1009556720 /nfs/dbraw/zinc/55/67/20/1009556720.db2.gz VMTYFFRIDYTCIO-UHFFFAOYSA-N 1 2 350.294 2.598 20 5 FFBDLO CC1(C)CC2(CC(NC(=O)c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)C2)CO1 ZINC000889726248 1010074935 /nfs/dbraw/zinc/07/49/35/1010074935.db2.gz WYVGTHVTNWEKEJ-UHFFFAOYSA-N 1 2 370.409 2.858 20 5 FFBDLO COc1ccc(C[N@H+](CCc2ccccn2)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000794681671 1010470122 /nfs/dbraw/zinc/47/01/22/1010470122.db2.gz AOHBBIFLHWRQRY-UHFFFAOYSA-N 1 2 367.409 2.897 20 5 FFBDLO COc1ccc(C[N@@H+](CCc2ccccn2)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000794681671 1010470127 /nfs/dbraw/zinc/47/01/27/1010470127.db2.gz AOHBBIFLHWRQRY-UHFFFAOYSA-N 1 2 367.409 2.897 20 5 FFBDLO C[NH+]1CCN(C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1 ZINC000866213475 1010952898 /nfs/dbraw/zinc/95/28/98/1010952898.db2.gz VUDZBOPCULHLMY-UHFFFAOYSA-N 1 2 372.391 2.830 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000412285415 1012023102 /nfs/dbraw/zinc/02/31/02/1012023102.db2.gz BKRJLTQYTSPPBU-HYVNUMGLSA-N 1 2 354.410 2.838 20 5 FFBDLO O=C1C[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCN1c1ccccn1 ZINC001172912059 1012126271 /nfs/dbraw/zinc/12/62/71/1012126271.db2.gz IEGBPDPBCGAJHH-QGZVFWFLSA-N 1 2 366.421 2.586 20 5 FFBDLO O=C1C[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCN1c1ccccn1 ZINC001172912059 1012126281 /nfs/dbraw/zinc/12/62/81/1012126281.db2.gz IEGBPDPBCGAJHH-QGZVFWFLSA-N 1 2 366.421 2.586 20 5 FFBDLO COC(=O)C1([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CCC1 ZINC001173006507 1012173609 /nfs/dbraw/zinc/17/36/09/1012173609.db2.gz VJEKVUJPHJVQHF-UHFFFAOYSA-N 1 2 369.368 2.527 20 5 FFBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@H]2CCCC3(CCC3)O2)CC1 ZINC000930586688 1020091667 /nfs/dbraw/zinc/09/16/67/1020091667.db2.gz YXZSYBGPYMXNRR-MRXNPFEDSA-N 1 2 373.453 2.844 20 5 FFBDLO Cc1cn(C)nc1C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000930810783 1020197444 /nfs/dbraw/zinc/19/74/44/1020197444.db2.gz SWWMUHQSYIDVGT-QAQDUYKDSA-N 1 2 358.442 2.942 20 5 FFBDLO Cc1cn(C)nc1C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000930810783 1020197451 /nfs/dbraw/zinc/19/74/51/1020197451.db2.gz SWWMUHQSYIDVGT-QAQDUYKDSA-N 1 2 358.442 2.942 20 5 FFBDLO COc1ccc([C@@H](CO)[N@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000112996905 1021742200 /nfs/dbraw/zinc/74/22/00/1021742200.db2.gz LDLYHOJIYYKKKP-QGZVFWFLSA-N 1 2 373.409 2.516 20 5 FFBDLO COc1ccc([C@@H](CO)[N@@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000112996905 1021742216 /nfs/dbraw/zinc/74/22/16/1021742216.db2.gz LDLYHOJIYYKKKP-QGZVFWFLSA-N 1 2 373.409 2.516 20 5 FFBDLO Cc1cc2nc3nc(=O)[nH]c(OC4CCC5(C[NH2+]C5)CC4)c3nc2cc1C ZINC001218264433 1033075770 /nfs/dbraw/zinc/07/57/70/1033075770.db2.gz VHGKIKJBTAUWLP-UHFFFAOYSA-N 1 2 365.437 2.806 20 5 FFBDLO COc1cc(N)c([N+](=O)[O-])cc1C(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000753457494 1023330012 /nfs/dbraw/zinc/33/00/12/1023330012.db2.gz PYISWUBGCXZTHW-UHFFFAOYSA-N 1 2 368.349 2.728 20 5 FFBDLO COC(=O)[C@H]1CCCC[C@@H]1OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000755793079 1023637162 /nfs/dbraw/zinc/63/71/62/1023637162.db2.gz QLSIMHDYYFFCIT-BBRMVZONSA-N 1 2 373.365 2.669 20 5 FFBDLO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](CCc2ccc3ccccc3c2)C1 ZINC000950055547 1023694742 /nfs/dbraw/zinc/69/47/42/1023694742.db2.gz BSJXGTOYROCNCY-WOJBJXKFSA-N 1 2 367.449 2.580 20 5 FFBDLO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000078072691 1023725693 /nfs/dbraw/zinc/72/56/93/1023725693.db2.gz MKBIIUPBZUTBIF-QGZVFWFLSA-N 1 2 359.357 2.573 20 5 FFBDLO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000078072691 1023725698 /nfs/dbraw/zinc/72/56/98/1023725698.db2.gz MKBIIUPBZUTBIF-QGZVFWFLSA-N 1 2 359.357 2.573 20 5 FFBDLO CCCSc1nc(O[C@@H]2C[NH2+]Cc3ccccc32)c([N+](=O)[O-])c(=O)[nH]1 ZINC001218485712 1033177062 /nfs/dbraw/zinc/17/70/62/1033177062.db2.gz ATOYCUZBKYSKBO-GFCCVEGCSA-N 1 2 362.411 2.816 20 5 FFBDLO O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1CC[NH+](Cc2ccccc2)CC1 ZINC000194620998 1024868613 /nfs/dbraw/zinc/86/86/13/1024868613.db2.gz HXNVKYOSZUIVJT-UHFFFAOYSA-N 1 2 361.348 2.831 20 5 FFBDLO CC(C)c1noc(COC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC000838100710 1026208839 /nfs/dbraw/zinc/20/88/39/1026208839.db2.gz FXWRQERNRLMMBB-UHFFFAOYSA-N 1 2 357.326 2.644 20 5 FFBDLO CCCC[C@H](OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(=O)OC ZINC000838101459 1026208991 /nfs/dbraw/zinc/20/89/91/1026208991.db2.gz KYSGBEMIZGYCNV-HNNXBMFYSA-N 1 2 361.354 2.669 20 5 FFBDLO CCc1nnc([C@@H](C)OC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)o1 ZINC000838101198 1026210464 /nfs/dbraw/zinc/21/04/64/1026210464.db2.gz IIAWDFMHLWULAS-SNVBAGLBSA-N 1 2 357.326 2.644 20 5 FFBDLO Cc1cc(N2CC([NH+]3C[C@@H](C)O[C@H](C)C3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001158721171 1027107275 /nfs/dbraw/zinc/10/72/75/1027107275.db2.gz VFKXATAAJBTLIE-ZIAGYGMSSA-N 1 2 356.426 2.749 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC001160722139 1027826784 /nfs/dbraw/zinc/82/67/84/1027826784.db2.gz FCHCHHIKSFSQFO-WDEREUQCSA-N 1 2 361.229 2.962 20 5 FFBDLO Cc1nn(C[N@H+](C)CCc2nc(-c3ccccc3)no2)c(C)c1[N+](=O)[O-] ZINC000795705416 1027885453 /nfs/dbraw/zinc/88/54/53/1027885453.db2.gz XDNWIGXNPDXVDF-UHFFFAOYSA-N 1 2 356.386 2.590 20 5 FFBDLO Cc1nn(C[N@@H+](C)CCc2nc(-c3ccccc3)no2)c(C)c1[N+](=O)[O-] ZINC000795705416 1027885472 /nfs/dbraw/zinc/88/54/72/1027885472.db2.gz XDNWIGXNPDXVDF-UHFFFAOYSA-N 1 2 356.386 2.590 20 5 FFBDLO COCCn1c[nH+]cc1CNC(=O)c1cccc2nc3ccccc3nc21 ZINC001153870669 1028034085 /nfs/dbraw/zinc/03/40/85/1028034085.db2.gz MCAWKRREEJDKLX-UHFFFAOYSA-N 1 2 361.405 2.556 20 5 FFBDLO COC(=O)c1cnc(NCC(C)(C)c2cc(OC)cc[nH+]2)c([N+](=O)[O-])c1 ZINC001162128995 1028445667 /nfs/dbraw/zinc/44/56/67/1028445667.db2.gz ZJCZADLSGBPKLL-UHFFFAOYSA-N 1 2 360.370 2.570 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000780762621 1028799273 /nfs/dbraw/zinc/79/92/73/1028799273.db2.gz LVPDPMNWYKWFIJ-QZTJIDSGSA-N 1 2 352.394 2.741 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@@](C)(O)c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000780764741 1028803840 /nfs/dbraw/zinc/80/38/40/1028803840.db2.gz PROUHYZWULXYIA-SJLPKXTDSA-N 1 2 372.450 2.977 20 5 FFBDLO Cc1ccc([C@H]2CC[N@H+](CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C2)cc1 ZINC000784027271 1030426533 /nfs/dbraw/zinc/42/65/33/1030426533.db2.gz WDYGOVXRTGODQD-HNNXBMFYSA-N 1 2 365.389 2.946 20 5 FFBDLO Cc1ccc([C@H]2CC[N@@H+](CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C2)cc1 ZINC000784027271 1030426538 /nfs/dbraw/zinc/42/65/38/1030426538.db2.gz WDYGOVXRTGODQD-HNNXBMFYSA-N 1 2 365.389 2.946 20 5 FFBDLO CCOc1cc(F)cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC001204652079 1031399753 /nfs/dbraw/zinc/39/97/53/1031399753.db2.gz SZFHWBQGOJWVRG-UHFFFAOYSA-N 1 2 360.389 2.850 20 5 FFBDLO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC001149404285 1031503869 /nfs/dbraw/zinc/50/38/69/1031503869.db2.gz DKAJMJHAJHVCTK-UHFFFAOYSA-N 1 2 364.427 2.603 20 5 FFBDLO COc1ccccc1CONC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000799095441 1031647111 /nfs/dbraw/zinc/64/71/11/1031647111.db2.gz NIJROIZLCAVESE-UHFFFAOYSA-N 1 2 368.349 2.651 20 5 FFBDLO COc1cc(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1[N+](=O)[O-] ZINC001225434976 1034251981 /nfs/dbraw/zinc/25/19/81/1034251981.db2.gz BKUJFJCWEUUZKD-QGZVFWFLSA-N 1 2 358.394 2.883 20 5 FFBDLO COc1cc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1[N+](=O)[O-] ZINC001225434976 1034251996 /nfs/dbraw/zinc/25/19/96/1034251996.db2.gz BKUJFJCWEUUZKD-QGZVFWFLSA-N 1 2 358.394 2.883 20 5 FFBDLO C[C@H](C[NH+]1CCOCC1)Oc1ccc2c(c1)oc(=O)c1cc(O)ccc21 ZINC001229797851 1036903577 /nfs/dbraw/zinc/90/35/77/1036903577.db2.gz PRXBHROEEYYAID-CYBMUJFWSA-N 1 2 355.390 2.751 20 5 FFBDLO COc1cc(O)cc2oc3cc(O)c(O[C@@H]4CCC[N@H+](C)C4)cc3c(=O)c12 ZINC001234801390 1037185053 /nfs/dbraw/zinc/18/50/53/1037185053.db2.gz PZONOPPRCKTYEH-GFCCVEGCSA-N 1 2 371.389 2.839 20 5 FFBDLO COc1cc(O)cc2oc3cc(O)c(O[C@@H]4CCC[N@@H+](C)C4)cc3c(=O)c12 ZINC001234801390 1037185059 /nfs/dbraw/zinc/18/50/59/1037185059.db2.gz PZONOPPRCKTYEH-GFCCVEGCSA-N 1 2 371.389 2.839 20 5 FFBDLO CC(C)(C)[S@@](C)(=O)=NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001538282697 1070395410 /nfs/dbraw/zinc/39/54/10/1070395410.db2.gz ATQOIYQZGKEKFQ-XMMPIXPASA-N 1 2 350.400 2.817 20 5 FFBDLO O=[N+]([O-])c1cc(-c2nc(-c3ccccc3-n3cc[nH+]c3)no2)ccc1CO ZINC001216916122 1042162586 /nfs/dbraw/zinc/16/25/86/1042162586.db2.gz SDOHOABZIMNRDO-UHFFFAOYSA-N 1 2 363.333 2.990 20 5 FFBDLO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001320413328 1045403817 /nfs/dbraw/zinc/40/38/17/1045403817.db2.gz YAGRCLMITQVXMJ-CYBMUJFWSA-N 1 2 368.231 2.554 20 5 FFBDLO O=C1CCCN1[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001320413328 1045403818 /nfs/dbraw/zinc/40/38/18/1045403818.db2.gz YAGRCLMITQVXMJ-CYBMUJFWSA-N 1 2 368.231 2.554 20 5 FFBDLO C[NH+](C)Cc1csc(CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC001303741046 1051438100 /nfs/dbraw/zinc/43/81/00/1051438100.db2.gz JPUJATCSZDXBJF-UHFFFAOYSA-N 1 2 368.846 2.625 20 5 FFBDLO CCc1[nH]c(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c[nH+]1 ZINC001303973714 1051487043 /nfs/dbraw/zinc/48/70/43/1051487043.db2.gz YZFYRFUWCKOCDS-VIFPVBQESA-N 1 2 352.778 2.617 20 5 FFBDLO CCc1[nH]cc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])[nH+]1 ZINC001303973714 1051487045 /nfs/dbraw/zinc/48/70/45/1051487045.db2.gz YZFYRFUWCKOCDS-VIFPVBQESA-N 1 2 352.778 2.617 20 5 FFBDLO CCOCCOCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Br ZINC001343434491 1052231161 /nfs/dbraw/zinc/23/11/61/1052231161.db2.gz RTPPVOWTNRUIQB-UHFFFAOYSA-N 1 2 361.236 2.842 20 5 FFBDLO CCOCCOCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Br ZINC001343434491 1052231168 /nfs/dbraw/zinc/23/11/68/1052231168.db2.gz RTPPVOWTNRUIQB-UHFFFAOYSA-N 1 2 361.236 2.842 20 5 FFBDLO CCOC(=O)[C@H]1CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC001308122292 1052412735 /nfs/dbraw/zinc/41/27/35/1052412735.db2.gz NUZYXARYFPHCHJ-NSHDSACASA-N 1 2 357.204 2.742 20 5 FFBDLO CCOC(=O)[C@H]1CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC001308122292 1052412738 /nfs/dbraw/zinc/41/27/38/1052412738.db2.gz NUZYXARYFPHCHJ-NSHDSACASA-N 1 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CCn1ccc(C[N@@H+](C)CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000848485570 1060131649 /nfs/dbraw/zinc/13/16/49/1060131649.db2.gz QHTFXTUGXQAHSH-GOSISDBHSA-N 1 2 356.426 2.822 20 5 FFBDLO Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c1)CO2 ZINC001517684887 1060593980 /nfs/dbraw/zinc/59/39/80/1060593980.db2.gz ARTZVDDVVQSXMX-HNNXBMFYSA-N 1 2 364.361 2.952 20 5 FFBDLO Cn1nc2c(c1C[NH+]1CCN(c3ccccc3[N+](=O)[O-])CC1)CCCC2 ZINC001462029510 1061479493 /nfs/dbraw/zinc/47/94/93/1061479493.db2.gz BQJCJFWYFITILE-UHFFFAOYSA-N 1 2 355.442 2.529 20 5 FFBDLO O=C(Nc1ccn2cc[nH+]c2c1)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001527606396 1061549569 /nfs/dbraw/zinc/54/95/69/1061549569.db2.gz NOHGNTQBWUHLDR-UHFFFAOYSA-N 1 2 362.349 2.740 20 5 FFBDLO COc1cccc(F)c1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001463083891 1061931624 /nfs/dbraw/zinc/93/16/24/1061931624.db2.gz CVZFDSXAJGGVIV-UHFFFAOYSA-N 1 2 370.340 2.858 20 5 FFBDLO CC(C)C[C@@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)n1cc[nH+]c1 ZINC001441476063 1063444002 /nfs/dbraw/zinc/44/40/02/1063444002.db2.gz NQICAPNZFFJROD-SFHVURJKSA-N 1 2 371.441 2.727 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCCn1c[nH+]cc1-c1ccccc1 ZINC001470713141 1064422896 /nfs/dbraw/zinc/42/28/96/1064422896.db2.gz ZJUAAKRZRHUJBP-UHFFFAOYSA-N 1 2 366.377 2.897 20 5 FFBDLO CN(CCCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)c1cccc[nH+]1 ZINC001471494640 1064695369 /nfs/dbraw/zinc/69/53/69/1064695369.db2.gz NSBIYOXOLBPBQN-DLBZAZTESA-N 1 2 354.410 2.736 20 5 FFBDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1ccc([N+](=O)[O-])cc1C(F)F ZINC001472833959 1065154055 /nfs/dbraw/zinc/15/40/55/1065154055.db2.gz JYXDFZVRLODLRJ-KRWDZBQOSA-N 1 2 371.384 2.560 20 5 FFBDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1ccc([N+](=O)[O-])cc1C(F)F ZINC001472833959 1065154062 /nfs/dbraw/zinc/15/40/62/1065154062.db2.gz JYXDFZVRLODLRJ-KRWDZBQOSA-N 1 2 371.384 2.560 20 5 FFBDLO C[C@@H]1CN(C(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC(C)(C)O1 ZINC001473233574 1065225062 /nfs/dbraw/zinc/22/50/62/1065225062.db2.gz QMTLCWRWBHOMPV-CQSZACIVSA-N 1 2 361.442 2.585 20 5 FFBDLO C[C@@H]1CN(C(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC(C)(C)O1 ZINC001473233574 1065225071 /nfs/dbraw/zinc/22/50/71/1065225071.db2.gz QMTLCWRWBHOMPV-CQSZACIVSA-N 1 2 361.442 2.585 20 5 FFBDLO CCN(CC(F)(F)F)C(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001473233269 1065225600 /nfs/dbraw/zinc/22/56/00/1065225600.db2.gz IAOUPFAFMMRRBQ-UHFFFAOYSA-N 1 2 359.348 2.970 20 5 FFBDLO CCN(CC(F)(F)F)C(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001473233269 1065225617 /nfs/dbraw/zinc/22/56/17/1065225617.db2.gz IAOUPFAFMMRRBQ-UHFFFAOYSA-N 1 2 359.348 2.970 20 5 FFBDLO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001473969804 1065429445 /nfs/dbraw/zinc/42/94/45/1065429445.db2.gz VYCWDGOPRMGQSF-VHSXEESVSA-N 1 2 358.236 2.750 20 5 FFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCNN(C(=O)OC(C)(C)C)CC1 ZINC001576316377 1078215233 /nfs/dbraw/zinc/21/52/33/1078215233.db2.gz PMLAVQIGWCQGOM-CYBMUJFWSA-N 1 2 350.419 2.713 20 5 FFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCNN(C(=O)OC(C)(C)C)CC1 ZINC001576316377 1078215235 /nfs/dbraw/zinc/21/52/35/1078215235.db2.gz PMLAVQIGWCQGOM-CYBMUJFWSA-N 1 2 350.419 2.713 20 5 FFBDLO CC(C)(C)[S@](C)(=O)=NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001584729058 1079383385 /nfs/dbraw/zinc/38/33/85/1079383385.db2.gz DEYAVUQOXNZBKA-DEOSSOPVSA-N 1 2 350.400 2.817 20 5 FFBDLO COCc1csc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC001586439453 1079628935 /nfs/dbraw/zinc/62/89/35/1079628935.db2.gz NAWKSPSJMHWKKW-UHFFFAOYSA-N 1 2 372.406 2.918 20 5 FFBDLO COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000106869707 250297540 /nfs/dbraw/zinc/29/75/40/250297540.db2.gz JQMOSHHNJNHIBP-CYBMUJFWSA-N 1 2 351.403 2.702 20 5 FFBDLO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000106869707 250297542 /nfs/dbraw/zinc/29/75/42/250297542.db2.gz JQMOSHHNJNHIBP-CYBMUJFWSA-N 1 2 351.403 2.702 20 5 FFBDLO CC[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCN1CC(F)F ZINC000153389733 251131999 /nfs/dbraw/zinc/13/19/99/251131999.db2.gz FBFQPAIIENILOY-AWEZNQCLSA-N 1 2 371.384 2.623 20 5 FFBDLO CC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCN1CC(F)F ZINC000153389733 251132003 /nfs/dbraw/zinc/13/20/03/251132003.db2.gz FBFQPAIIENILOY-AWEZNQCLSA-N 1 2 371.384 2.623 20 5 FFBDLO C[C@H](c1cccc(NC(=O)c2c(N)cccc2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000272432500 252038134 /nfs/dbraw/zinc/03/81/34/252038134.db2.gz LKSBZGDFWAGCJR-CYBMUJFWSA-N 1 2 370.409 2.823 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](Nc1cnn(CC(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000272524351 252059843 /nfs/dbraw/zinc/05/98/43/252059843.db2.gz LSNRSIJBWVPFMG-HNNXBMFYSA-N 1 2 362.340 2.991 20 5 FFBDLO COc1ccc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000272845251 252145324 /nfs/dbraw/zinc/14/53/24/252145324.db2.gz PFJAJNQUSHAEFK-IUODEOHRSA-N 1 2 359.386 2.915 20 5 FFBDLO C[C@H]1CN(c2ccc(CNc3c4c(ccc3[N+](=O)[O-])NCC4)c[nH+]2)CCO1 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HPQZDHHMFFULCA-HUUCEWRRSA-N 1 2 362.430 2.539 20 5 FFBDLO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC2 ZINC000286382775 257034054 /nfs/dbraw/zinc/03/40/54/257034054.db2.gz KLZYCUFMIUDYOW-HZPDHXFCSA-N 1 2 356.369 2.625 20 5 FFBDLO Cc1[nH+]c2ccccc2n1CC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000288442478 257190037 /nfs/dbraw/zinc/19/00/37/257190037.db2.gz SKNBEAJXRFEZNJ-UHFFFAOYSA-N 1 2 352.394 2.954 20 5 FFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000290063365 257313638 /nfs/dbraw/zinc/31/36/38/257313638.db2.gz XWJPXICSTITISX-ABAIWWIYSA-N 1 2 363.805 2.719 20 5 FFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000290063365 257313639 /nfs/dbraw/zinc/31/36/39/257313639.db2.gz XWJPXICSTITISX-ABAIWWIYSA-N 1 2 363.805 2.719 20 5 FFBDLO Cc1cc(N2CCC[C@H](CCC(N)=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301163809 258030510 /nfs/dbraw/zinc/03/05/10/258030510.db2.gz TXOCXUWUYSUJLW-CQSZACIVSA-N 1 2 369.425 2.842 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000301426479 258048829 /nfs/dbraw/zinc/04/88/29/258048829.db2.gz CNVSZNGXNVVJNG-HOTGVXAUSA-N 1 2 374.485 2.530 20 5 FFBDLO CCc1cc(NC[C@]2(O)CCSC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301487270 258051913 /nfs/dbraw/zinc/05/19/13/258051913.db2.gz YKORRPPDYJADGF-QGZVFWFLSA-N 1 2 360.439 2.894 20 5 FFBDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C2 ZINC000332617544 258237771 /nfs/dbraw/zinc/23/77/71/258237771.db2.gz HDVNTWVFQZNVDM-LLVKDONJSA-N 1 2 360.389 2.973 20 5 FFBDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C2 ZINC000332671601 258239836 /nfs/dbraw/zinc/23/98/36/258239836.db2.gz RWCHGLWNOITHQO-LBPRGKRZSA-N 1 2 358.398 2.539 20 5 FFBDLO CC(=O)c1ccc(N2CC[NH+](Cc3cccc(O)c3)CC2)c([N+](=O)[O-])c1 ZINC000060349560 136132420 /nfs/dbraw/zinc/13/24/20/136132420.db2.gz HGBLLVRHKDAUJW-UHFFFAOYSA-N 1 2 355.394 2.825 20 5 FFBDLO 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CCc1[nH+]c2ccccc2n1CC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000054168150 506505276 /nfs/dbraw/zinc/50/52/76/506505276.db2.gz CCLSUVTZUPITIH-UHFFFAOYSA-N 1 2 352.394 2.866 20 5 FFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000007267177 506548435 /nfs/dbraw/zinc/54/84/35/506548435.db2.gz IUEKHRGTNTZWFB-UONOGXRCSA-N 1 2 371.393 2.694 20 5 FFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000007267177 506548441 /nfs/dbraw/zinc/54/84/41/506548441.db2.gz IUEKHRGTNTZWFB-UONOGXRCSA-N 1 2 371.393 2.694 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2scnc2C)c([N+](=O)[O-])c1 ZINC000066566052 506557253 /nfs/dbraw/zinc/55/72/53/506557253.db2.gz BOKOPHYYTANLMU-NSHDSACASA-N 1 2 364.427 2.827 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2scnc2C)c([N+](=O)[O-])c1 ZINC000066566052 506557257 /nfs/dbraw/zinc/55/72/57/506557257.db2.gz BOKOPHYYTANLMU-NSHDSACASA-N 1 2 364.427 2.827 20 5 FFBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000054644652 506593888 /nfs/dbraw/zinc/59/38/88/506593888.db2.gz PKQOYLDTSKONKN-UHFFFAOYSA-N 1 2 373.800 2.938 20 5 FFBDLO Cc1ccc2[nH+]c(CNC(=O)NCCc3ccc([N+](=O)[O-])cc3)cn2c1 ZINC000054644130 506594817 /nfs/dbraw/zinc/59/48/17/506594817.db2.gz GKZBBYMRRXMCCE-UHFFFAOYSA-N 1 2 353.382 2.593 20 5 FFBDLO O=C(COc1ccc([N+](=O)[O-])cc1)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000066967291 506714940 /nfs/dbraw/zinc/71/49/40/506714940.db2.gz YJJMETKIXUYWJQ-UHFFFAOYSA-N 1 2 360.757 2.591 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000068197010 507145682 /nfs/dbraw/zinc/14/56/82/507145682.db2.gz PXYHWLCTLKZHSB-UHFFFAOYSA-N 1 2 355.394 2.988 20 5 FFBDLO Cc1cccc(OCCNC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000046599483 507157031 /nfs/dbraw/zinc/15/70/31/507157031.db2.gz CNEXUHVUMRSARI-MRXNPFEDSA-N 1 2 371.437 2.919 20 5 FFBDLO Cc1cccc(OCCNC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000046599483 507157032 /nfs/dbraw/zinc/15/70/32/507157032.db2.gz CNEXUHVUMRSARI-MRXNPFEDSA-N 1 2 371.437 2.919 20 5 FFBDLO COc1ccc(CC(=O)NCCCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000068420661 507224200 /nfs/dbraw/zinc/22/42/00/507224200.db2.gz DWAWNRGHWZWYOW-UHFFFAOYSA-N 1 2 358.398 2.549 20 5 FFBDLO CC1CCC(NS(=O)(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000020666758 507229075 /nfs/dbraw/zinc/22/90/75/507229075.db2.gz IGDRCWHHOFGGMX-UHFFFAOYSA-N 1 2 364.427 2.638 20 5 FFBDLO CCNc1ccc(C(=O)NCCc2cn3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000021135388 507245264 /nfs/dbraw/zinc/24/52/64/507245264.db2.gz SDADDEJCRBNVJW-UHFFFAOYSA-N 1 2 353.382 2.647 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cc(C)no2)c([N+](=O)[O-])c1 ZINC000047273944 507297561 /nfs/dbraw/zinc/29/75/61/507297561.db2.gz YMUZZFBTWWSSNZ-AWEZNQCLSA-N 1 2 360.370 2.675 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2cc(C)no2)c([N+](=O)[O-])c1 ZINC000047273944 507297570 /nfs/dbraw/zinc/29/75/70/507297570.db2.gz YMUZZFBTWWSSNZ-AWEZNQCLSA-N 1 2 360.370 2.675 20 5 FFBDLO COc1ccc(C[N@H+](C)[C@H]2CCN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000068821351 507333256 /nfs/dbraw/zinc/33/32/56/507333256.db2.gz AEXXMROEIXMORS-INIZCTEOSA-N 1 2 355.394 2.841 20 5 FFBDLO COc1ccc(C[N@@H+](C)[C@H]2CCN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000068821351 507333263 /nfs/dbraw/zinc/33/32/63/507333263.db2.gz AEXXMROEIXMORS-INIZCTEOSA-N 1 2 355.394 2.841 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000023788646 507373497 /nfs/dbraw/zinc/37/34/97/507373497.db2.gz QFFLCOAXCGNIJT-UHFFFAOYSA-N 1 2 369.421 2.870 20 5 FFBDLO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000025383661 507496722 /nfs/dbraw/zinc/49/67/22/507496722.db2.gz CVPDMRADKRYSGM-CQSZACIVSA-N 1 2 361.423 2.929 20 5 FFBDLO O=[N+]([O-])c1ccc(NCc2cc[nH+]c(N3CCOCC3)c2)c2ncccc12 ZINC000026717155 507604475 /nfs/dbraw/zinc/60/44/75/507604475.db2.gz AEIJFTSALCWZLJ-UHFFFAOYSA-N 1 2 365.393 2.987 20 5 FFBDLO C[C@H]1CCCN(c2ccc(C(=O)N(C)Cc3[nH+]ccn3C)cc2[N+](=O)[O-])C1 ZINC000061511917 507617603 /nfs/dbraw/zinc/61/76/03/507617603.db2.gz PRPQOBSKFMQFKR-AWEZNQCLSA-N 1 2 371.441 2.837 20 5 FFBDLO Cc1cccc(N2CC[NH+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000027382139 507653372 /nfs/dbraw/zinc/65/33/72/507653372.db2.gz OMRNPMFFOZBMOX-UHFFFAOYSA-N 1 2 368.437 2.972 20 5 FFBDLO Cn1cc(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cn1 ZINC000071016540 507679608 /nfs/dbraw/zinc/67/96/08/507679608.db2.gz AKMKOHXLKFYDDU-UHFFFAOYSA-N 1 2 369.347 2.669 20 5 FFBDLO O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000030015036 507800196 /nfs/dbraw/zinc/80/01/96/507800196.db2.gz CTLSMRVBXBBGRT-UHFFFAOYSA-N 1 2 351.366 2.622 20 5 FFBDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@@H]1C ZINC000030909937 507814782 /nfs/dbraw/zinc/81/47/82/507814782.db2.gz VAVXZTXNTKKYLS-ZACQAIPSSA-N 1 2 374.485 2.658 20 5 FFBDLO COc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cc2C)[NH+]2CCOCC2)cc1 ZINC000078470411 507873629 /nfs/dbraw/zinc/87/36/29/507873629.db2.gz 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Cc1occc1C(=O)NC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000093009792 508114097 /nfs/dbraw/zinc/11/40/97/508114097.db2.gz CGHKIWOOFNWQLB-UHFFFAOYSA-N 1 2 359.382 2.596 20 5 FFBDLO C[C@@H](C(=O)NC1CCCC1)N1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075715208 508130987 /nfs/dbraw/zinc/13/09/87/508130987.db2.gz LCSKKYZCIQREMS-HOTGVXAUSA-N 1 2 374.485 2.721 20 5 FFBDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075715208 508130988 /nfs/dbraw/zinc/13/09/88/508130988.db2.gz LCSKKYZCIQREMS-HOTGVXAUSA-N 1 2 374.485 2.721 20 5 FFBDLO Cc1[nH+]c2cc(NS(=O)(=O)c3c(C)cccc3[N+](=O)[O-])ccc2n1C ZINC000083577617 508249406 /nfs/dbraw/zinc/24/94/06/508249406.db2.gz NOKHCLOEXFHILA-UHFFFAOYSA-N 1 2 360.395 2.899 20 5 FFBDLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000103481683 508314949 /nfs/dbraw/zinc/31/49/49/508314949.db2.gz VVGWVCZONBHOGQ-NSHDSACASA-N 1 2 367.402 2.574 20 5 FFBDLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000103481683 508314952 /nfs/dbraw/zinc/31/49/52/508314952.db2.gz VVGWVCZONBHOGQ-NSHDSACASA-N 1 2 367.402 2.574 20 5 FFBDLO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000114799318 508348619 /nfs/dbraw/zinc/34/86/19/508348619.db2.gz YBYRKRZQXICWRP-INIZCTEOSA-N 1 2 355.394 2.695 20 5 FFBDLO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000114799318 508348621 /nfs/dbraw/zinc/34/86/21/508348621.db2.gz YBYRKRZQXICWRP-INIZCTEOSA-N 1 2 355.394 2.695 20 5 FFBDLO O=C(C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)NCc1ccc(Cl)cc1 ZINC000088606825 508378926 /nfs/dbraw/zinc/37/89/26/508378926.db2.gz OLEOIGPUGDLLKG-UHFFFAOYSA-N 1 2 359.813 2.923 20 5 FFBDLO O=C(C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)NCc1ccc(Cl)cc1 ZINC000088606825 508378929 /nfs/dbraw/zinc/37/89/29/508378929.db2.gz OLEOIGPUGDLLKG-UHFFFAOYSA-N 1 2 359.813 2.923 20 5 FFBDLO CN(C)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000133588203 508421310 /nfs/dbraw/zinc/42/13/10/508421310.db2.gz KVCOPYMFJOHKFE-UHFFFAOYSA-N 1 2 358.398 2.654 20 5 FFBDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000156650327 508456618 /nfs/dbraw/zinc/45/66/18/508456618.db2.gz JHJGNMNNQIXWOL-CYBMUJFWSA-N 1 2 363.414 2.587 20 5 FFBDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000156650327 508456619 /nfs/dbraw/zinc/45/66/19/508456619.db2.gz JHJGNMNNQIXWOL-CYBMUJFWSA-N 1 2 363.414 2.587 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+](Cc2ccncc2)C2CC2)c([N+](=O)[O-])c1 ZINC000122302974 508514757 /nfs/dbraw/zinc/51/47/57/508514757.db2.gz JGEDCNQKFQBIMF-UHFFFAOYSA-N 1 2 356.382 2.602 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+](Cc2ccncc2)C2CC2)c([N+](=O)[O-])c1 ZINC000122302974 508514761 /nfs/dbraw/zinc/51/47/61/508514761.db2.gz JGEDCNQKFQBIMF-UHFFFAOYSA-N 1 2 356.382 2.602 20 5 FFBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000116601973 508536992 /nfs/dbraw/zinc/53/69/92/508536992.db2.gz RPBANWSAQNQKLR-UHFFFAOYSA-N 1 2 358.379 2.890 20 5 FFBDLO O=[N+]([O-])c1nn(Cc2cn3cc(Cl)ccc3[nH+]2)cc1Br ZINC000116781982 508560465 /nfs/dbraw/zinc/56/04/65/508560465.db2.gz DFNNDWJMEXBKTF-UHFFFAOYSA-N 1 2 356.567 2.903 20 5 FFBDLO COc1ccccc1CNC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153281705 508567743 /nfs/dbraw/zinc/56/77/43/508567743.db2.gz SSBCQFNHOIBRIU-UHFFFAOYSA-N 1 2 369.421 2.884 20 5 FFBDLO COc1ccccc1CNC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153281705 508567746 /nfs/dbraw/zinc/56/77/46/508567746.db2.gz SSBCQFNHOIBRIU-UHFFFAOYSA-N 1 2 369.421 2.884 20 5 FFBDLO CC(C)Cn1cc[nH+]c1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000135691524 508641087 /nfs/dbraw/zinc/64/10/87/508641087.db2.gz MGPBRPZAWAQINR-UHFFFAOYSA-N 1 2 355.398 2.788 20 5 FFBDLO C[N@H+](CCc1nccs1)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000157982560 508641275 /nfs/dbraw/zinc/64/12/75/508641275.db2.gz XQWJDXADIHQNOB-UHFFFAOYSA-N 1 2 354.819 2.818 20 5 FFBDLO C[N@@H+](CCc1nccs1)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000157982560 508641279 /nfs/dbraw/zinc/64/12/79/508641279.db2.gz XQWJDXADIHQNOB-UHFFFAOYSA-N 1 2 354.819 2.818 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCOc2cc(F)ccc21 ZINC000118277853 508643913 /nfs/dbraw/zinc/64/39/13/508643913.db2.gz KFPPJVFCLSJYNN-UHFFFAOYSA-N 1 2 368.324 2.959 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCC[C@@H]1c1ncon1 ZINC000123712608 508728195 /nfs/dbraw/zinc/72/81/95/508728195.db2.gz CEHQPKGXVJVABJ-CQSZACIVSA-N 1 2 368.353 2.531 20 5 FFBDLO C[NH+](C)Cc1ccc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1F ZINC000154576825 508812798 /nfs/dbraw/zinc/81/27/98/508812798.db2.gz HOFOWYCVAFMESD-UHFFFAOYSA-N 1 2 371.372 2.602 20 5 FFBDLO Cc1c(Br)cc(C(=O)N2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000120076368 508923577 /nfs/dbraw/zinc/92/35/77/508923577.db2.gz XFTBWMJZPBOQAP-UHFFFAOYSA-N 1 2 368.231 2.586 20 5 FFBDLO Cn1cc(Cl)cc1C[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000120103300 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367.471 2.547 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1CN(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000264079889 509320744 /nfs/dbraw/zinc/32/07/44/509320744.db2.gz NWMRQUBUIBBWCW-UHFFFAOYSA-N 1 2 358.320 2.994 20 5 FFBDLO C[C@H]1CO[C@@H](c2ccccc2Cl)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176239998 509397420 /nfs/dbraw/zinc/39/74/20/509397420.db2.gz HXSSSUYKVDFKJI-SWLSCSKDSA-N 1 2 350.806 2.907 20 5 FFBDLO C[C@H]1CO[C@@H](c2ccccc2Cl)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176239998 509397426 /nfs/dbraw/zinc/39/74/26/509397426.db2.gz HXSSSUYKVDFKJI-SWLSCSKDSA-N 1 2 350.806 2.907 20 5 FFBDLO COCC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(F)cc1Cl ZINC000176246032 509400846 /nfs/dbraw/zinc/40/08/46/509400846.db2.gz FXCBXGSNSIEQEV-UHFFFAOYSA-N 1 2 356.785 2.732 20 5 FFBDLO COCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(F)cc1Cl ZINC000176246032 509400852 /nfs/dbraw/zinc/40/08/52/509400852.db2.gz FXCBXGSNSIEQEV-UHFFFAOYSA-N 1 2 356.785 2.732 20 5 FFBDLO CCC(CC)[C@H](C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000173142532 509416497 /nfs/dbraw/zinc/41/64/97/509416497.db2.gz KFFXENRVJYKRET-RDTXWAMCSA-N 1 2 363.458 2.909 20 5 FFBDLO CCOC[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000176312572 509438087 /nfs/dbraw/zinc/43/80/87/509438087.db2.gz FNLVNNLJUGGPHN-RYUDHWBXSA-N 1 2 355.822 2.934 20 5 FFBDLO CCOC[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000176312572 509438091 /nfs/dbraw/zinc/43/80/91/509438091.db2.gz FNLVNNLJUGGPHN-RYUDHWBXSA-N 1 2 355.822 2.934 20 5 FFBDLO CCc1cc(N(C)[C@H](C)C[S@](C)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000182945856 509509280 /nfs/dbraw/zinc/50/92/80/509509280.db2.gz FTOQQUSLWYUCJB-YDBLSZJJSA-N 1 2 362.455 2.817 20 5 FFBDLO CC[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000179598154 509529817 /nfs/dbraw/zinc/52/98/17/509529817.db2.gz AEOWYZYADXVSRH-HNNXBMFYSA-N 1 2 364.423 2.864 20 5 FFBDLO CC[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000179598154 509529822 /nfs/dbraw/zinc/52/98/22/509529822.db2.gz AEOWYZYADXVSRH-HNNXBMFYSA-N 1 2 364.423 2.864 20 5 FFBDLO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000248905164 509537498 /nfs/dbraw/zinc/53/74/98/509537498.db2.gz UULJPSMVWTWOMK-XJKSGUPXSA-N 1 2 355.394 2.551 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cc(-c4ccco4)on3)C2)nc1 ZINC000173462548 509616463 /nfs/dbraw/zinc/61/64/63/509616463.db2.gz YTQRSLKXOGQPMP-GFCCVEGCSA-N 1 2 355.354 2.924 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cc(-c4ccco4)on3)C2)nc1 ZINC000173462548 509616467 /nfs/dbraw/zinc/61/64/67/509616467.db2.gz YTQRSLKXOGQPMP-GFCCVEGCSA-N 1 2 355.354 2.924 20 5 FFBDLO CCc1[nH]nc(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)c1[N+](=O)[O-] ZINC000264694053 509651522 /nfs/dbraw/zinc/65/15/22/509651522.db2.gz UOIJHPPOUVPQOX-GFCCVEGCSA-N 1 2 373.413 2.526 20 5 FFBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000268146501 509779691 /nfs/dbraw/zinc/77/96/91/509779691.db2.gz SROYABUVSIAXFL-UHFFFAOYSA-N 1 2 360.267 2.765 20 5 FFBDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)Nc1ccncc1[N+](=O)[O-] ZINC000183560307 509861611 /nfs/dbraw/zinc/86/16/11/509861611.db2.gz OTQZFZLNJKQLJI-UHFFFAOYSA-N 1 2 352.354 2.556 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000177207757 509936970 /nfs/dbraw/zinc/93/69/70/509936970.db2.gz CEXUTQPLLWMSGW-HOCLYGCPSA-N 1 2 365.455 2.902 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000177207757 509936972 /nfs/dbraw/zinc/93/69/72/509936972.db2.gz CEXUTQPLLWMSGW-HOCLYGCPSA-N 1 2 365.455 2.902 20 5 FFBDLO CCN(CC)c1ccc(CNc2ncc(C(=O)OC)cc2[N+](=O)[O-])c[nH+]1 ZINC000190168355 509982325 /nfs/dbraw/zinc/98/23/25/509982325.db2.gz GGMOMIYQZBKKIL-UHFFFAOYSA-N 1 2 359.386 2.630 20 5 FFBDLO CN(CCCn1cc[nH+]c1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268973940 510169902 /nfs/dbraw/zinc/16/99/02/510169902.db2.gz HJNSAAIKTKGFSC-UHFFFAOYSA-N 1 2 351.794 2.676 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000246047925 510264714 /nfs/dbraw/zinc/26/47/14/510264714.db2.gz ATJSSQWMSHWNFN-XYJFISCASA-N 1 2 350.415 2.762 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000246047925 510264718 /nfs/dbraw/zinc/26/47/18/510264718.db2.gz ATJSSQWMSHWNFN-XYJFISCASA-N 1 2 350.415 2.762 20 5 FFBDLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000171656013 510285920 /nfs/dbraw/zinc/28/59/20/510285920.db2.gz HKPLVJUPRVWFDM-LLVKDONJSA-N 1 2 365.821 2.831 20 5 FFBDLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000171656013 510285924 /nfs/dbraw/zinc/28/59/24/510285924.db2.gz HKPLVJUPRVWFDM-LLVKDONJSA-N 1 2 365.821 2.831 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCC2(CCOCC2)C1 ZINC000266099219 510408350 /nfs/dbraw/zinc/40/83/50/510408350.db2.gz BEHFFQLXDMFOFE-UHFFFAOYSA-N 1 2 370.409 2.813 20 5 FFBDLO CCOCC[NH+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000171860983 510415772 /nfs/dbraw/zinc/41/57/72/510415772.db2.gz PRODTEXLWWZWFY-UHFFFAOYSA-N 1 2 363.439 2.604 20 5 FFBDLO CC(C)COC1CC[NH+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000181566754 510477437 /nfs/dbraw/zinc/47/74/37/510477437.db2.gz MHTXLYWXCGMOJX-UHFFFAOYSA-N 1 2 370.471 2.506 20 5 FFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000178244836 510506760 /nfs/dbraw/zinc/50/67/60/510506760.db2.gz JWNMLQPGGYXZPX-UHFFFAOYSA-N 1 2 357.385 2.621 20 5 FFBDLO CCc1ccc([C@@H](COC)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)o1 ZINC000184796239 510519833 /nfs/dbraw/zinc/51/98/33/510519833.db2.gz RMRHOGDHURQQBP-MRXNPFEDSA-N 1 2 373.409 2.617 20 5 FFBDLO Cc1c(C[NH2+][C@@H](c2nc(-c3nc[nH]n3)no2)C(C)C)cccc1[N+](=O)[O-] ZINC000184867285 510556112 /nfs/dbraw/zinc/55/61/12/510556112.db2.gz FYPUVIJDNOXFEI-CYBMUJFWSA-N 1 2 357.374 2.558 20 5 FFBDLO C[C@@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)no1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000185152616 510715430 /nfs/dbraw/zinc/71/54/30/510715430.db2.gz POAHDDJSRWBGMD-MNOVXSKESA-N 1 2 361.402 2.953 20 5 FFBDLO COc1cc(C(=O)NCc2cn3c(cccc3C)[nH+]2)cc([N+](=O)[O-])c1C ZINC000191546550 510715834 /nfs/dbraw/zinc/71/58/34/510715834.db2.gz PAGVFJKIUQJRMG-UHFFFAOYSA-N 1 2 354.366 2.798 20 5 FFBDLO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000195336237 510789860 /nfs/dbraw/zinc/78/98/60/510789860.db2.gz QTBMPOUOTHFOQN-ZDUSSCGKSA-N 1 2 365.459 2.667 20 5 FFBDLO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000178834085 510796516 /nfs/dbraw/zinc/79/65/16/510796516.db2.gz GDCRGYPETJZGKS-ZDUSSCGKSA-N 1 2 374.397 2.808 20 5 FFBDLO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000178834085 510796521 /nfs/dbraw/zinc/79/65/21/510796521.db2.gz GDCRGYPETJZGKS-ZDUSSCGKSA-N 1 2 374.397 2.808 20 5 FFBDLO CCOC(=O)C1CCC(O)(Cn2cc[nH+]c2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000191717781 510799479 /nfs/dbraw/zinc/79/94/79/510799479.db2.gz OLLJHMIVGHJWQM-UHFFFAOYSA-N 1 2 373.409 2.943 20 5 FFBDLO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000270719920 510961339 /nfs/dbraw/zinc/96/13/39/510961339.db2.gz QWHCBOBQMWRUEI-UHFFFAOYSA-N 1 2 366.381 2.523 20 5 FFBDLO Cc1cc(NC(=O)N[C@@H](c2[nH+]ccn2C)C(C)(C)CO)ccc1[N+](=O)[O-] ZINC000297778275 511065182 /nfs/dbraw/zinc/06/51/82/511065182.db2.gz WBVCNGDAUSGEKH-AWEZNQCLSA-N 1 2 361.402 2.518 20 5 FFBDLO CC(C)[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCO1 ZINC000294527009 511093780 /nfs/dbraw/zinc/09/37/80/511093780.db2.gz SMLZUJOQAGNVIA-KRWDZBQOSA-N 1 2 358.398 2.668 20 5 FFBDLO Nc1c(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cccc1[N+](=O)[O-] ZINC000279635196 511155185 /nfs/dbraw/zinc/15/51/85/511155185.db2.gz ZROQSXKUIXWUHM-UHFFFAOYSA-N 1 2 369.425 2.730 20 5 FFBDLO CC(=O)c1ccc(NCc2ccc[nH+]c2N2CCOCC2)c([N+](=O)[O-])c1 ZINC000298279635 511234156 /nfs/dbraw/zinc/23/41/56/511234156.db2.gz QUOHWCVUMFKADI-UHFFFAOYSA-N 1 2 356.382 2.641 20 5 FFBDLO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCc1ccccc1-n1cc[nH+]c1 ZINC000363040515 511314490 /nfs/dbraw/zinc/31/44/90/511314490.db2.gz WNIRSJJRTWYARX-UHFFFAOYSA-N 1 2 370.340 2.615 20 5 FFBDLO C[C@@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@]2(CCOC2)O1 ZINC000280264542 511398199 /nfs/dbraw/zinc/39/81/99/511398199.db2.gz CJMHDHKDXPZVAT-FZKQIMNGSA-N 1 2 359.382 2.630 20 5 FFBDLO C[C@@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@]2(CCOC2)O1 ZINC000280264542 511398200 /nfs/dbraw/zinc/39/82/00/511398200.db2.gz CJMHDHKDXPZVAT-FZKQIMNGSA-N 1 2 359.382 2.630 20 5 FFBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000363198032 511411858 /nfs/dbraw/zinc/41/18/58/511411858.db2.gz YLLZXFYYMSKELD-UHFFFAOYSA-N 1 2 354.370 2.529 20 5 FFBDLO O=C(C[N@@H+]1CCOC[C@H](C2CCC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000292193495 511500123 /nfs/dbraw/zinc/50/01/23/511500123.db2.gz RNUMIKNJESRSQF-CYBMUJFWSA-N 1 2 367.833 2.935 20 5 FFBDLO O=C(C[N@H+]1CCOC[C@H](C2CCC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000292193495 511500128 /nfs/dbraw/zinc/50/01/28/511500128.db2.gz RNUMIKNJESRSQF-CYBMUJFWSA-N 1 2 367.833 2.935 20 5 FFBDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000292298137 511542954 /nfs/dbraw/zinc/54/29/54/511542954.db2.gz MPULCXAJVLQKKC-JKIFEVAISA-N 1 2 363.458 2.596 20 5 FFBDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000292298137 511542958 /nfs/dbraw/zinc/54/29/58/511542958.db2.gz MPULCXAJVLQKKC-JKIFEVAISA-N 1 2 363.458 2.596 20 5 FFBDLO CCn1ccnc1[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000280976460 511674765 /nfs/dbraw/zinc/67/47/65/511674765.db2.gz KXFDZUQITOYLSW-RDJZCZTQSA-N 1 2 374.441 2.778 20 5 FFBDLO CCn1ccnc1[C@@H]1CCCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000280976460 511674766 /nfs/dbraw/zinc/67/47/66/511674766.db2.gz KXFDZUQITOYLSW-RDJZCZTQSA-N 1 2 374.441 2.778 20 5 FFBDLO CCc1cc(NC[C@@H](CO)[C@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000281007296 511686329 /nfs/dbraw/zinc/68/63/29/511686329.db2.gz OMQMAJJCCMIOOX-GJZGRUSLSA-N 1 2 372.425 2.671 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000284389399 511705359 /nfs/dbraw/zinc/70/53/59/511705359.db2.gz MQAKADLGLAIRQM-GUYCJALGSA-N 1 2 358.398 2.913 20 5 FFBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000274060836 511708057 /nfs/dbraw/zinc/70/80/57/511708057.db2.gz OXZYYQFKPGDABT-UHFFFAOYSA-N 1 2 360.801 2.914 20 5 FFBDLO C[C@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296476900 511759397 /nfs/dbraw/zinc/75/93/97/511759397.db2.gz MAAKDPSHBWLFCB-DZGCQCFKSA-N 1 2 355.398 2.629 20 5 FFBDLO CC(C)(C)Oc1cc[nH+]cc1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000274636453 511895397 /nfs/dbraw/zinc/89/53/97/511895397.db2.gz JKKKBIIOTUEQPS-UHFFFAOYSA-N 1 2 372.381 2.536 20 5 FFBDLO COc1ccc(OCC[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)c([N+](=O)[O-])c1 ZINC000366207666 511902214 /nfs/dbraw/zinc/90/22/14/511902214.db2.gz CPANNZLRJCIMHO-LJQANCHMSA-N 1 2 374.393 2.761 20 5 FFBDLO COc1ccc(OCC[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)c([N+](=O)[O-])c1 ZINC000366207666 511902219 /nfs/dbraw/zinc/90/22/19/511902219.db2.gz CPANNZLRJCIMHO-LJQANCHMSA-N 1 2 374.393 2.761 20 5 FFBDLO Cc1nc([N+](=O)[O-])c(-c2noc(-c3ccc(Cn4cc[nH+]c4)cc3)n2)n1C ZINC000350923622 511909189 /nfs/dbraw/zinc/90/91/89/511909189.db2.gz INAZEFTWWFYCNW-UHFFFAOYSA-N 1 2 365.353 2.599 20 5 FFBDLO Cc1nn(C)c(C(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)c1[N+](=O)[O-] ZINC000364081301 511947956 /nfs/dbraw/zinc/94/79/56/511947956.db2.gz YHELLTIVXRTEKD-UHFFFAOYSA-N 1 2 354.370 2.896 20 5 FFBDLO Cc1ccc([C@@H](CNc2ncc([N+](=O)[O-])c(C)n2)[NH+]2CCOCC2)s1 ZINC000297118644 512026452 /nfs/dbraw/zinc/02/64/52/512026452.db2.gz MEHAEPVFXYHZMV-CQSZACIVSA-N 1 2 363.443 2.549 20 5 FFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000373934608 512579980 /nfs/dbraw/zinc/57/99/80/512579980.db2.gz BHQJDDASLODJEX-UONOGXRCSA-N 1 2 355.398 2.591 20 5 FFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000373934608 512579983 /nfs/dbraw/zinc/57/99/83/512579983.db2.gz BHQJDDASLODJEX-UONOGXRCSA-N 1 2 355.398 2.591 20 5 FFBDLO C[C@H]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000378114667 512597697 /nfs/dbraw/zinc/59/76/97/512597697.db2.gz UCDKKVGFALZDIS-WMLDXEAASA-N 1 2 357.414 2.627 20 5 FFBDLO COC(=O)C1([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCC(C)CC1 ZINC000411374915 512604858 /nfs/dbraw/zinc/60/48/58/512604858.db2.gz NWNFJMIRESKRDJ-UHFFFAOYSA-N 1 2 363.414 2.635 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@@H]1c1ccnn1C ZINC000374165664 512687562 /nfs/dbraw/zinc/68/75/62/512687562.db2.gz ZVXKMNUOZJDDJC-QGZVFWFLSA-N 1 2 357.414 2.802 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@@H]1c1ccnn1C ZINC000374165664 512687565 /nfs/dbraw/zinc/68/75/65/512687565.db2.gz ZVXKMNUOZJDDJC-QGZVFWFLSA-N 1 2 357.414 2.802 20 5 FFBDLO Cc1cn2c([nH+]1)[C@H](CNc1cc3c(cc1[N+](=O)[O-])CCC(=O)N3)CCC2 ZINC000376636790 512911912 /nfs/dbraw/zinc/91/19/12/512911912.db2.gz LLDWKRQKDDCILQ-ZDUSSCGKSA-N 1 2 355.398 2.974 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000370537772 512985164 /nfs/dbraw/zinc/98/51/64/512985164.db2.gz GZZOOPDPUZCHFF-UHFFFAOYSA-N 1 2 374.828 2.991 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000370537772 512985169 /nfs/dbraw/zinc/98/51/69/512985169.db2.gz GZZOOPDPUZCHFF-UHFFFAOYSA-N 1 2 374.828 2.991 20 5 FFBDLO O=C1CCCCN1[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000368542794 512993864 /nfs/dbraw/zinc/99/38/64/512993864.db2.gz ISMGGNHMPFYZAS-CQSZACIVSA-N 1 2 358.398 2.713 20 5 FFBDLO O=C1CCCCN1[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000368542794 512993867 /nfs/dbraw/zinc/99/38/67/512993867.db2.gz ISMGGNHMPFYZAS-CQSZACIVSA-N 1 2 358.398 2.713 20 5 FFBDLO CO[C@](C)([C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000412620457 513193020 /nfs/dbraw/zinc/19/30/20/513193020.db2.gz VEXBBIIJIMUZIR-KPZWWZAWSA-N 1 2 358.398 2.714 20 5 FFBDLO CCOc1cc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c([N+](=O)[O-])cc1OC ZINC000434275711 513277507 /nfs/dbraw/zinc/27/75/07/513277507.db2.gz JNNZFTXILJYZDB-UHFFFAOYSA-N 1 2 374.397 2.745 20 5 FFBDLO CCOc1cc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c([N+](=O)[O-])cc1OC ZINC000434275711 513277514 /nfs/dbraw/zinc/27/75/14/513277514.db2.gz JNNZFTXILJYZDB-UHFFFAOYSA-N 1 2 374.397 2.745 20 5 FFBDLO Cc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440490318 513332196 /nfs/dbraw/zinc/33/21/96/513332196.db2.gz GSVZMCGBVBQZBB-HNNXBMFYSA-N 1 2 369.425 2.732 20 5 FFBDLO Cc1cccc(C)c1NC(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440490318 513332205 /nfs/dbraw/zinc/33/22/05/513332205.db2.gz GSVZMCGBVBQZBB-HNNXBMFYSA-N 1 2 369.425 2.732 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C2)n1 ZINC000440637327 513367804 /nfs/dbraw/zinc/36/78/04/513367804.db2.gz LXQBLKGWYQYDIK-GOSISDBHSA-N 1 2 364.446 2.507 20 5 FFBDLO COc1ccc(C[NH+]2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)cc1F ZINC000413026970 513392534 /nfs/dbraw/zinc/39/25/34/513392534.db2.gz KOUMRFGPQPOTPO-UHFFFAOYSA-N 1 2 364.352 2.599 20 5 FFBDLO O=C(C[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2F)CC1)Nc1ccccc1 ZINC000413034324 513397455 /nfs/dbraw/zinc/39/74/55/513397455.db2.gz AURVUNHKIKJKIJ-UHFFFAOYSA-N 1 2 373.388 2.644 20 5 FFBDLO CC(C)(C(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccccc1[N+](=O)[O-] ZINC000429840526 513478286 /nfs/dbraw/zinc/47/82/86/513478286.db2.gz OSLOEWTVQKILNY-UHFFFAOYSA-N 1 2 356.426 2.764 20 5 FFBDLO CC(C)(C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1[N+](=O)[O-] ZINC000429916009 513497721 /nfs/dbraw/zinc/49/77/21/513497721.db2.gz ICCPTDDLYGLUCH-UHFFFAOYSA-N 1 2 354.410 2.616 20 5 FFBDLO Cn1c2ccccc2[nH+]c1CCCNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447687485 513543298 /nfs/dbraw/zinc/54/32/98/513543298.db2.gz UOHKBEFXFQKQTC-UHFFFAOYSA-N 1 2 350.382 2.824 20 5 FFBDLO CCO[C@@H](C)c1noc(C[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000441345543 513547635 /nfs/dbraw/zinc/54/76/35/513547635.db2.gz HLOLQWBCYWUTLU-LBPRGKRZSA-N 1 2 350.375 2.586 20 5 FFBDLO CCO[C@@H](C)c1noc(C[N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000441345543 513547642 /nfs/dbraw/zinc/54/76/42/513547642.db2.gz HLOLQWBCYWUTLU-LBPRGKRZSA-N 1 2 350.375 2.586 20 5 FFBDLO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)C[C@H](C)O2 ZINC000430284642 513610869 /nfs/dbraw/zinc/61/08/69/513610869.db2.gz ORMVNIFCJBGWOF-VBHSOAQHSA-N 1 2 360.414 2.630 20 5 FFBDLO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)C[C@H](C)O2 ZINC000430284642 513610877 /nfs/dbraw/zinc/61/08/77/513610877.db2.gz ORMVNIFCJBGWOF-VBHSOAQHSA-N 1 2 360.414 2.630 20 5 FFBDLO CCc1ccnc(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])c1 ZINC000435603266 513633258 /nfs/dbraw/zinc/63/32/58/513633258.db2.gz ZUPSQJNCZPICKP-UHFFFAOYSA-N 1 2 356.426 2.997 20 5 FFBDLO COc1cc(N2CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000418945074 513699203 /nfs/dbraw/zinc/69/92/03/513699203.db2.gz LCOVQGZQFGXFGL-GOSISDBHSA-N 1 2 365.430 2.504 20 5 FFBDLO CCOc1cc(C[NH2+]C(C)(C)c2nnc3n2CCCC3)ccc1[N+](=O)[O-] ZINC000451407142 513728927 /nfs/dbraw/zinc/72/89/27/513728927.db2.gz VSWPXTTYDZFWPF-UHFFFAOYSA-N 1 2 359.430 2.946 20 5 FFBDLO Cc1cc(S(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)cc1[N+](=O)[O-] ZINC000416422002 513765410 /nfs/dbraw/zinc/76/54/10/513765410.db2.gz HRWHHDHSNZVMLM-CYBMUJFWSA-N 1 2 364.427 2.503 20 5 FFBDLO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H](CO)c1ccccc1 ZINC000436248334 513806860 /nfs/dbraw/zinc/80/68/60/513806860.db2.gz AXTDDILYZYNDOS-INIZCTEOSA-N 1 2 354.366 2.810 20 5 FFBDLO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H](CO)c1ccccc1 ZINC000436248334 513806865 /nfs/dbraw/zinc/80/68/65/513806865.db2.gz AXTDDILYZYNDOS-INIZCTEOSA-N 1 2 354.366 2.810 20 5 FFBDLO Cc1cc(OCC(=O)NCc2cn3c(cccc3C)[nH+]2)ccc1[N+](=O)[O-] ZINC000431643849 513954969 /nfs/dbraw/zinc/95/49/69/513954969.db2.gz FHFYWDURCJTHGF-UHFFFAOYSA-N 1 2 354.366 2.555 20 5 FFBDLO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000436859345 514013597 /nfs/dbraw/zinc/01/35/97/514013597.db2.gz AWUKTLSEVIKBSN-HNNXBMFYSA-N 1 2 355.394 2.695 20 5 FFBDLO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000436859345 514013603 /nfs/dbraw/zinc/01/36/03/514013603.db2.gz AWUKTLSEVIKBSN-HNNXBMFYSA-N 1 2 355.394 2.695 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C1CC1 ZINC000451929998 514077988 /nfs/dbraw/zinc/07/79/88/514077988.db2.gz UCCARAXDZZAWCV-INIZCTEOSA-N 1 2 366.381 2.600 20 5 FFBDLO CSC[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000452161106 514222754 /nfs/dbraw/zinc/22/27/54/514222754.db2.gz NTGFOJUXHAFQAF-ZDUSSCGKSA-N 1 2 360.439 2.996 20 5 FFBDLO Cc1ccc(S(=O)(=O)Nc2ccccc2CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000438235348 514334410 /nfs/dbraw/zinc/33/44/10/514334410.db2.gz NWXZZDWDCBZDKJ-UHFFFAOYSA-N 1 2 363.439 2.808 20 5 FFBDLO CC1(C)CCC[C@](O)(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000438487154 514388466 /nfs/dbraw/zinc/38/84/66/514388466.db2.gz IRVACDKYITXVEG-LJQANCHMSA-N 1 2 372.425 2.842 20 5 FFBDLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000433222009 514427669 /nfs/dbraw/zinc/42/76/69/514427669.db2.gz WOMRGEMEZGKMEV-UHFFFAOYSA-N 1 2 362.389 2.971 20 5 FFBDLO CC(C)CC[C@@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449961250 514443478 /nfs/dbraw/zinc/44/34/78/514443478.db2.gz UPARNNUOHWHBSL-GOSISDBHSA-N 1 2 360.414 2.698 20 5 FFBDLO COc1ccc(-c2ccc(C[N@@H+]3CCN(C)C(=O)[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000428456190 514479220 /nfs/dbraw/zinc/47/92/20/514479220.db2.gz HSJXGRDGKQFENZ-GFCCVEGCSA-N 1 2 359.382 2.526 20 5 FFBDLO COc1ccc(-c2ccc(C[N@H+]3CCN(C)C(=O)[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000428456190 514479223 /nfs/dbraw/zinc/47/92/23/514479223.db2.gz HSJXGRDGKQFENZ-GFCCVEGCSA-N 1 2 359.382 2.526 20 5 FFBDLO NC(=O)c1cccc(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)c1[N+](=O)[O-] ZINC000439094235 514492285 /nfs/dbraw/zinc/49/22/85/514492285.db2.gz BOOOFTDZFMJOPE-UHFFFAOYSA-N 1 2 365.393 2.954 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1-c1noc([C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000445570097 514493854 /nfs/dbraw/zinc/49/38/54/514493854.db2.gz CXRHMPIILJEDLE-CYBMUJFWSA-N 1 2 372.360 2.855 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1-c1noc([C@H]2CCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000445570097 514493856 /nfs/dbraw/zinc/49/38/56/514493856.db2.gz CXRHMPIILJEDLE-CYBMUJFWSA-N 1 2 372.360 2.855 20 5 FFBDLO CCO[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000452856477 514520632 /nfs/dbraw/zinc/52/06/32/514520632.db2.gz JVVQYAMAZUKRDL-DYVFJYSZSA-N 1 2 358.398 2.668 20 5 FFBDLO CC(C)[C@@H](CO)[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)C ZINC000452914952 514550984 /nfs/dbraw/zinc/55/09/84/514550984.db2.gz IQTNOLWJEGVADL-CRAIPNDOSA-N 1 2 374.441 2.799 20 5 FFBDLO CCOC[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000458071598 514555266 /nfs/dbraw/zinc/55/52/66/514555266.db2.gz CVNQSABPMMFPBH-HNNXBMFYSA-N 1 2 358.398 2.812 20 5 FFBDLO CCC(CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(C)s1)[NH+]1CCOCC1 ZINC000497888386 514673825 /nfs/dbraw/zinc/67/38/25/514673825.db2.gz CYMVMMNDLOKJMR-OAHLLOKOSA-N 1 2 369.487 2.832 20 5 FFBDLO CCN1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@H]1c1ncc[nH]1 ZINC000471076836 514742470 /nfs/dbraw/zinc/74/24/70/514742470.db2.gz OXMXKNXFMBFNNU-KRWDZBQOSA-N 1 2 373.457 2.984 20 5 FFBDLO CCN1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@H]1c1ncc[nH]1 ZINC000471076836 514742477 /nfs/dbraw/zinc/74/24/77/514742477.db2.gz OXMXKNXFMBFNNU-KRWDZBQOSA-N 1 2 373.457 2.984 20 5 FFBDLO Cc1cc(NCCOCC(F)(F)F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000489204487 514750060 /nfs/dbraw/zinc/75/00/60/514750060.db2.gz ITWPPGDIWFHOSZ-UHFFFAOYSA-N 1 2 356.304 2.773 20 5 FFBDLO Cc1cc(N(C)CCNC(=O)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000502785641 514776304 /nfs/dbraw/zinc/77/63/04/514776304.db2.gz QXRQPQDARBAJGP-UHFFFAOYSA-N 1 2 357.414 2.569 20 5 FFBDLO COc1cccc(CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000498235142 514823116 /nfs/dbraw/zinc/82/31/16/514823116.db2.gz RPONTMNDQHAKOX-UHFFFAOYSA-N 1 2 351.366 2.798 20 5 FFBDLO O=C(NCc1ccc(F)cc1F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000498290099 514847278 /nfs/dbraw/zinc/84/72/78/514847278.db2.gz XXRZMBURZQKOGF-UHFFFAOYSA-N 1 2 358.304 2.989 20 5 FFBDLO C[NH+](C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1Br ZINC000467065225 514885327 /nfs/dbraw/zinc/88/53/27/514885327.db2.gz YLULNMCZTSYXFJ-UHFFFAOYSA-N 1 2 367.203 2.999 20 5 FFBDLO Cc1ccc([C@@H](C)NC(=O)c2cc(-n3cc[nH+]c3)ccn2)cc1[N+](=O)[O-] ZINC000489594714 514910772 /nfs/dbraw/zinc/91/07/72/514910772.db2.gz LETBEKPHJUNPQQ-CYBMUJFWSA-N 1 2 351.366 2.975 20 5 FFBDLO COc1c(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)cccc1[N+](=O)[O-] ZINC000476377042 515024234 /nfs/dbraw/zinc/02/42/34/515024234.db2.gz SJQPJZBSTMGSFK-UHFFFAOYSA-N 1 2 373.384 2.701 20 5 FFBDLO Cc1cc(C)n(CCCNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])n1 ZINC000472033192 515092216 /nfs/dbraw/zinc/09/22/16/515092216.db2.gz LTALZVIMSADLRN-UHFFFAOYSA-N 1 2 373.457 2.743 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000476672139 515151480 /nfs/dbraw/zinc/15/14/80/515151480.db2.gz WJUUGGOVWHAOSN-KRWDZBQOSA-N 1 2 365.393 2.798 20 5 FFBDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H](C)O1 ZINC000485988458 515288434 /nfs/dbraw/zinc/28/84/34/515288434.db2.gz ICMDEGRCTMVJJH-BETUJISGSA-N 1 2 358.398 2.784 20 5 FFBDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H](C)O1 ZINC000485988458 515288444 /nfs/dbraw/zinc/28/84/44/515288444.db2.gz ICMDEGRCTMVJJH-BETUJISGSA-N 1 2 358.398 2.784 20 5 FFBDLO CNc1c(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cccc1[N+](=O)[O-] ZINC000462903714 515292261 /nfs/dbraw/zinc/29/22/61/515292261.db2.gz RCYNWFIHSWDJAC-UHFFFAOYSA-N 1 2 355.398 2.562 20 5 FFBDLO Cc1cc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c[nH+]c1N1CCCC[C@H]1C ZINC000504853719 515393815 /nfs/dbraw/zinc/39/38/15/515393815.db2.gz RUEKTTOSLTWDQN-CQSZACIVSA-N 1 2 372.429 2.902 20 5 FFBDLO CCOc1cc(N2CC[NH+](Cc3ccc(F)cn3)CC2)ccc1[N+](=O)[O-] ZINC000481783990 515466775 /nfs/dbraw/zinc/46/67/75/515466775.db2.gz RDGONJXJNFFKEM-UHFFFAOYSA-N 1 2 360.389 2.850 20 5 FFBDLO CC(C)Cn1cc[nH+]c1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000486435083 515481098 /nfs/dbraw/zinc/48/10/98/515481098.db2.gz QFAJDSSZHVLIGH-UHFFFAOYSA-N 1 2 352.341 2.584 20 5 FFBDLO CCOc1cc(CN2CCCC[C@@H]2C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000492629352 515549018 /nfs/dbraw/zinc/54/90/18/515549018.db2.gz JXUKVXGSCFBVIH-QGZVFWFLSA-N 1 2 363.458 2.680 20 5 FFBDLO O=c1cc2c(n[nH]1)CC[N@@H+](Cc1csc(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000482302992 515642765 /nfs/dbraw/zinc/64/27/65/515642765.db2.gz ZZRHAJGQVLYRFS-UHFFFAOYSA-N 1 2 369.406 2.772 20 5 FFBDLO O=c1cc2c(n[nH]1)CC[N@H+](Cc1csc(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000482302992 515642772 /nfs/dbraw/zinc/64/27/72/515642772.db2.gz ZZRHAJGQVLYRFS-UHFFFAOYSA-N 1 2 369.406 2.772 20 5 FFBDLO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2c(F)cccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000505798191 515675711 /nfs/dbraw/zinc/67/57/11/515675711.db2.gz ZDLGUHFMKKJSDC-RBSFLKMASA-N 1 2 351.422 2.808 20 5 FFBDLO C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2c(F)cccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000505798191 515675720 /nfs/dbraw/zinc/67/57/20/515675720.db2.gz ZDLGUHFMKKJSDC-RBSFLKMASA-N 1 2 351.422 2.808 20 5 FFBDLO CC(C)OC(=O)CC[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000473606891 515685047 /nfs/dbraw/zinc/68/50/47/515685047.db2.gz HWAWEIVJVGMECD-ZDUSSCGKSA-N 1 2 374.397 2.631 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+](CCO)Cc3cccc(F)c3)n2)cc1 ZINC000494232279 515778679 /nfs/dbraw/zinc/77/86/79/515778679.db2.gz ZFAZVEUTMPHKQP-UHFFFAOYSA-N 1 2 372.356 2.778 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+](CCO)Cc3cccc(F)c3)n2)cc1 ZINC000494232279 515778690 /nfs/dbraw/zinc/77/86/90/515778690.db2.gz ZFAZVEUTMPHKQP-UHFFFAOYSA-N 1 2 372.356 2.778 20 5 FFBDLO CC(C)c1ccc(C[NH2+]Cc2ncccc2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000487201635 515797522 /nfs/dbraw/zinc/79/75/22/515797522.db2.gz PCTQPDDPLZVRTK-UHFFFAOYSA-N 1 2 363.439 2.807 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000494620487 515901208 /nfs/dbraw/zinc/90/12/08/515901208.db2.gz OHPLVWYEDVQGPQ-UHFFFAOYSA-N 1 2 369.421 2.870 20 5 FFBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000487951893 516048619 /nfs/dbraw/zinc/04/86/19/516048619.db2.gz RYMWFJFKODUXOC-UHFFFAOYSA-N 1 2 354.366 2.880 20 5 FFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1Cc2ccccc2C[C@@H]1C(N)=O ZINC000470170753 516160421 /nfs/dbraw/zinc/16/04/21/516160421.db2.gz ZWKDMLKTIZZXAX-BZPDREMPSA-N 1 2 351.406 2.910 20 5 FFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1Cc2ccccc2C[C@@H]1C(N)=O ZINC000470170753 516160431 /nfs/dbraw/zinc/16/04/31/516160431.db2.gz ZWKDMLKTIZZXAX-BZPDREMPSA-N 1 2 351.406 2.910 20 5 FFBDLO Cc1nc(N(C)CC[NH+]2CCN(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000561356387 516538659 /nfs/dbraw/zinc/53/86/59/516538659.db2.gz LJNBPNHNVMZNKN-UHFFFAOYSA-N 1 2 369.469 2.552 20 5 FFBDLO O=c1[nH]c(NCc2cccc(-c3[nH]cc[nH+]3)c2)nc2ccc([N+](=O)[O-])cc21 ZINC000554681288 516583279 /nfs/dbraw/zinc/58/32/79/516583279.db2.gz ZYKBEPDKFJELBB-UHFFFAOYSA-N 1 2 362.349 2.668 20 5 FFBDLO CCOc1cc(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)c([N+](=O)[O-])cc1OC ZINC000561818167 516784862 /nfs/dbraw/zinc/78/48/62/516784862.db2.gz ZSCKATGLMAHWTE-MRXNPFEDSA-N 1 2 374.397 2.617 20 5 FFBDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000532134114 516817803 /nfs/dbraw/zinc/81/78/03/516817803.db2.gz XZXAFRNDKVERLR-KBPBESRZSA-N 1 2 370.409 2.851 20 5 FFBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513991424 516825487 /nfs/dbraw/zinc/82/54/87/516825487.db2.gz GLQUMWXTCRCKSN-KRWDZBQOSA-N 1 2 359.813 2.964 20 5 FFBDLO CC(C)c1ccc(CN2CC[NH+](Cc3cnn(C)c3)CC2)cc1[N+](=O)[O-] ZINC000514090933 516858779 /nfs/dbraw/zinc/85/87/79/516858779.db2.gz XHBXQDJRVGXUTR-UHFFFAOYSA-N 1 2 357.458 2.770 20 5 FFBDLO CC(C)c1ccc(C[NH+]2CCN(Cc3cnn(C)c3)CC2)cc1[N+](=O)[O-] ZINC000514090933 516858786 /nfs/dbraw/zinc/85/87/86/516858786.db2.gz XHBXQDJRVGXUTR-UHFFFAOYSA-N 1 2 357.458 2.770 20 5 FFBDLO Cc1cc(NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000544740337 516904309 /nfs/dbraw/zinc/90/43/09/516904309.db2.gz AHPRPASTMUGJMM-UHFFFAOYSA-N 1 2 372.406 2.949 20 5 FFBDLO C[N@H+](Cc1ccccc1N1CCOCC1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000559035871 517052210 /nfs/dbraw/zinc/05/22/10/517052210.db2.gz PTLNVIISFBZVND-UHFFFAOYSA-N 1 2 357.410 2.769 20 5 FFBDLO C[N@@H+](Cc1ccccc1N1CCOCC1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000559035871 517052218 /nfs/dbraw/zinc/05/22/18/517052218.db2.gz PTLNVIISFBZVND-UHFFFAOYSA-N 1 2 357.410 2.769 20 5 FFBDLO O=[N+]([O-])c1cccc2ncnc(NCc3ccc(-n4cc[nH+]c4)c(F)c3)c21 ZINC000541591501 517127555 /nfs/dbraw/zinc/12/75/55/517127555.db2.gz ISMMSYBGJQVTEV-UHFFFAOYSA-N 1 2 364.340 2.897 20 5 FFBDLO Cc1cc[nH+]cc1N1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000556282737 517351355 /nfs/dbraw/zinc/35/13/55/517351355.db2.gz ATZWNFMHNIPZKI-UHFFFAOYSA-N 1 2 353.382 2.762 20 5 FFBDLO CCOC(=O)C1([NH2+]CCOc2ccc([N+](=O)[O-])cc2)Cc2ccccc2C1 ZINC000533379464 517433482 /nfs/dbraw/zinc/43/34/82/517433482.db2.gz LYVBVDZWUVADII-UHFFFAOYSA-N 1 2 370.405 2.664 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000542278875 517482085 /nfs/dbraw/zinc/48/20/85/517482085.db2.gz UHIXWELASIXHRX-QGZVFWFLSA-N 1 2 361.423 2.601 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000542278875 517482093 /nfs/dbraw/zinc/48/20/93/517482093.db2.gz UHIXWELASIXHRX-QGZVFWFLSA-N 1 2 361.423 2.601 20 5 FFBDLO Cc1[nH+]c2cc(CNC(=O)c3ccc([N+](=O)[O-])cn3)ccc2n1C1CC1 ZINC000556821258 517684167 /nfs/dbraw/zinc/68/41/67/517684167.db2.gz XLYBRBOMMOLGEE-UHFFFAOYSA-N 1 2 351.366 2.913 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)Cc2cn3cc(Cl)ccc3[nH+]2)cc1 ZINC000530298943 517689163 /nfs/dbraw/zinc/68/91/63/517689163.db2.gz HDKLLVDPFRSHKV-UHFFFAOYSA-N 1 2 351.771 2.870 20 5 FFBDLO O=C(NCCCCn1cc[nH+]c1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000538704640 517734232 /nfs/dbraw/zinc/73/42/32/517734232.db2.gz MZNQTVZIPNDUIE-UHFFFAOYSA-N 1 2 365.821 2.767 20 5 FFBDLO COc1ccccc1C[NH+]1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000542865195 517788386 /nfs/dbraw/zinc/78/83/86/517788386.db2.gz YPZYXWMFKZOXKC-UHFFFAOYSA-N 1 2 356.426 2.937 20 5 FFBDLO COc1ccc(CSCC(=O)Nc2cc(C)[nH+]cc2C)cc1[N+](=O)[O-] ZINC000534299457 517836900 /nfs/dbraw/zinc/83/69/00/517836900.db2.gz ZXVRMMNGKGPZIB-UHFFFAOYSA-N 1 2 361.423 2.909 20 5 FFBDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534393305 517877432 /nfs/dbraw/zinc/87/74/32/517877432.db2.gz RUXDKKNFDVBODP-DOMZBBRYSA-N 1 2 366.780 2.891 20 5 FFBDLO C[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534393305 517877443 /nfs/dbraw/zinc/87/74/43/517877443.db2.gz RUXDKKNFDVBODP-DOMZBBRYSA-N 1 2 366.780 2.891 20 5 FFBDLO COc1cc(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)ccc1C ZINC000560621158 517936117 /nfs/dbraw/zinc/93/61/17/517936117.db2.gz BLMXXZVJCDKDMM-UHFFFAOYSA-N 1 2 369.421 2.870 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@H](OCc4ccncc4)C3)nc2c1 ZINC000553897426 517959735 /nfs/dbraw/zinc/95/97/35/517959735.db2.gz JIYFCOUOZKEPRJ-HNNXBMFYSA-N 1 2 353.382 2.657 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@H](OCc4ccncc4)C3)nc2c1 ZINC000553897426 517959744 /nfs/dbraw/zinc/95/97/44/517959744.db2.gz JIYFCOUOZKEPRJ-HNNXBMFYSA-N 1 2 353.382 2.657 20 5 FFBDLO Cc1ccc(Cc2noc(-c3ccc(-n4cncn4)c([N+](=O)[O-])c3)n2)c[nH+]1 ZINC000547051937 517970320 /nfs/dbraw/zinc/97/03/20/517970320.db2.gz ZJEYYLOLCJUCNK-UHFFFAOYSA-N 1 2 363.337 2.520 20 5 FFBDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000539373337 518014743 /nfs/dbraw/zinc/01/47/43/518014743.db2.gz KITBRHBIGZKNAM-ZDUSSCGKSA-N 1 2 360.389 2.591 20 5 FFBDLO Cc1cc(NCC2([C@H](O)C(C)C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000539395607 518027769 /nfs/dbraw/zinc/02/77/69/518027769.db2.gz TZULXSXOJPBIQB-QGZVFWFLSA-N 1 2 356.426 2.991 20 5 FFBDLO COc1ccc(C(=O)N2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 ZINC000563657644 518049898 /nfs/dbraw/zinc/04/98/98/518049898.db2.gz TZLWHJYKRDHXBM-UHFFFAOYSA-N 1 2 369.421 2.870 20 5 FFBDLO Cn1cc[nH+]c1[C@H](CC(=O)NCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000557554894 518072177 /nfs/dbraw/zinc/07/21/77/518072177.db2.gz DFLSTPOLFIIEBR-LBPRGKRZSA-N 1 2 356.304 2.681 20 5 FFBDLO O=C1C[C@@H]([N@@H+]2CC[C@H](CC(F)(F)F)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000563772062 518117334 /nfs/dbraw/zinc/11/73/34/518117334.db2.gz GDXGIKAFLHEAOY-ZWNOBZJWSA-N 1 2 371.315 2.501 20 5 FFBDLO O=C1C[C@@H]([N@H+]2CC[C@H](CC(F)(F)F)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000563772062 518117343 /nfs/dbraw/zinc/11/73/43/518117343.db2.gz GDXGIKAFLHEAOY-ZWNOBZJWSA-N 1 2 371.315 2.501 20 5 FFBDLO Cc1cc[nH+]cc1N1CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000539721648 518148931 /nfs/dbraw/zinc/14/89/31/518148931.db2.gz OOQQGMVSPIMKMQ-OAHLLOKOSA-N 1 2 369.425 2.891 20 5 FFBDLO COc1cc(C(=O)N2CC[NH+](Cc3ccsc3)CC2)ccc1[N+](=O)[O-] ZINC000535258389 518170860 /nfs/dbraw/zinc/17/08/60/518170860.db2.gz PYWNMEIPPKUCPB-UHFFFAOYSA-N 1 2 361.423 2.623 20 5 FFBDLO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCc2c[nH+]cn2C1 ZINC000581669391 518399483 /nfs/dbraw/zinc/39/94/83/518399483.db2.gz QIHSRLKRXRFILA-NSHDSACASA-N 1 2 368.315 2.689 20 5 FFBDLO O=C(Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1)c1c[nH]nc1[N+](=O)[O-] ZINC000564717071 518580268 /nfs/dbraw/zinc/58/02/68/518580268.db2.gz FWAJAXIYMRMTCA-UHFFFAOYSA-N 1 2 352.354 2.770 20 5 FFBDLO CCOCC(C)(C)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000582084635 518580979 /nfs/dbraw/zinc/58/09/79/518580979.db2.gz ZNXRYVOEGFJETO-UHFFFAOYSA-N 1 2 351.447 2.902 20 5 FFBDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000582158761 518615753 /nfs/dbraw/zinc/61/57/53/518615753.db2.gz HQHBXGXCTIWLMV-ZDUSSCGKSA-N 1 2 372.425 2.648 20 5 FFBDLO Cc1oncc1C[N@@H+]1C[C@@H](F)C[C@H]1CNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000564791434 518616687 /nfs/dbraw/zinc/61/66/87/518616687.db2.gz BQBYAWZEVBLFTP-GJZGRUSLSA-N 1 2 363.393 2.928 20 5 FFBDLO Cc1oncc1C[N@H+]1C[C@@H](F)C[C@H]1CNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000564791434 518616693 /nfs/dbraw/zinc/61/66/93/518616693.db2.gz BQBYAWZEVBLFTP-GJZGRUSLSA-N 1 2 363.393 2.928 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cccc(O)c2Cl)cc1 ZINC000590188529 519170209 /nfs/dbraw/zinc/17/02/09/519170209.db2.gz PYCAQMRYIXRFQA-UHFFFAOYSA-N 1 2 370.814 2.517 20 5 FFBDLO O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000574591504 519231724 /nfs/dbraw/zinc/23/17/24/519231724.db2.gz YIKGBPMLZFTLOD-UHFFFAOYSA-N 1 2 358.398 2.830 20 5 FFBDLO CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C(C)(C)CO1 ZINC000590668996 519309591 /nfs/dbraw/zinc/30/95/91/519309591.db2.gz BDZXTRXQRBRBIH-UHFFFAOYSA-N 1 2 358.398 2.810 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1CN(c3ccccc3)CCO1)CCO2 ZINC000572175788 519480518 /nfs/dbraw/zinc/48/05/18/519480518.db2.gz VTOYCJGQEDTHPL-IBGZPJMESA-N 1 2 369.421 2.695 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H]1CN(c3ccccc3)CCO1)CCO2 ZINC000572175788 519480523 /nfs/dbraw/zinc/48/05/23/519480523.db2.gz VTOYCJGQEDTHPL-IBGZPJMESA-N 1 2 369.421 2.695 20 5 FFBDLO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)cc1OC ZINC000575166624 519535571 /nfs/dbraw/zinc/53/55/71/519535571.db2.gz ARCKGUPGVLNNFZ-INIZCTEOSA-N 1 2 374.397 2.617 20 5 FFBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594484114 519992390 /nfs/dbraw/zinc/99/23/90/519992390.db2.gz SIRPLRRLOFLHRE-CHWSQXEVSA-N 1 2 373.862 2.543 20 5 FFBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594484114 519992401 /nfs/dbraw/zinc/99/24/01/519992401.db2.gz SIRPLRRLOFLHRE-CHWSQXEVSA-N 1 2 373.862 2.543 20 5 FFBDLO O=C(C[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000602997801 520013203 /nfs/dbraw/zinc/01/32/03/520013203.db2.gz QYTLLPZXIQQTNK-WQVCFCJDSA-N 1 2 367.833 2.812 20 5 FFBDLO O=C(C[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000602997801 520013212 /nfs/dbraw/zinc/01/32/12/520013212.db2.gz QYTLLPZXIQQTNK-WQVCFCJDSA-N 1 2 367.833 2.812 20 5 FFBDLO Cc1ccc(CC2C[NH+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000594733066 520121199 /nfs/dbraw/zinc/12/11/99/520121199.db2.gz QJPWPWLHMWQWDO-UHFFFAOYSA-N 1 2 374.462 2.851 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2[nH+]ccn2CCS(=O)(=O)c2ccccc2)cc1 ZINC000608860474 520147757 /nfs/dbraw/zinc/14/77/57/520147757.db2.gz OTXYUYOSSKWCRF-UHFFFAOYSA-N 1 2 357.391 2.932 20 5 FFBDLO CC1(C)CC(=O)CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000600305346 520193899 /nfs/dbraw/zinc/19/38/99/520193899.db2.gz QHQCDOVKPLFSQU-UHFFFAOYSA-N 1 2 356.382 2.612 20 5 FFBDLO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000603681484 520341232 /nfs/dbraw/zinc/34/12/32/520341232.db2.gz VYOQGKKHSVOVQK-JTDSTZFVSA-N 1 2 374.485 2.800 20 5 FFBDLO O=C(CCNc1ccccc1[N+](=O)[O-])NCc1cccc(-n2cc[nH+]c2)c1 ZINC000609656996 520395805 /nfs/dbraw/zinc/39/58/05/520395805.db2.gz NGHOBAIRMBDKSD-UHFFFAOYSA-N 1 2 365.393 2.899 20 5 FFBDLO Cc1noc(C[NH2+][C@@](C)(CO)c2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000595317450 520404694 /nfs/dbraw/zinc/40/46/94/520404694.db2.gz ARCZPRQKNYSZDV-AWEZNQCLSA-N 1 2 359.304 2.907 20 5 FFBDLO C[C@@H](C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[nH][nH]1)[NH+]1CCCCCC1 ZINC000609842889 520454032 /nfs/dbraw/zinc/45/40/32/520454032.db2.gz CIVWTUKLXKMBQQ-ZDUSSCGKSA-N 1 2 357.414 2.610 20 5 FFBDLO O=C(NCc1ccccc1[N+](=O)[O-])NCc1ccc[nH+]c1N1CCCC1 ZINC000595445791 520475558 /nfs/dbraw/zinc/47/55/58/520475558.db2.gz GVYKZILVKKFPIS-UHFFFAOYSA-N 1 2 355.398 2.589 20 5 FFBDLO O=C1NCCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H]1Cc1ccccc1 ZINC000595504481 520514169 /nfs/dbraw/zinc/51/41/69/520514169.db2.gz DIVLCQOORZGGIL-GOSISDBHSA-N 1 2 357.385 2.667 20 5 FFBDLO O=C1NCCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H]1Cc1ccccc1 ZINC000595504481 520514176 /nfs/dbraw/zinc/51/41/76/520514176.db2.gz DIVLCQOORZGGIL-GOSISDBHSA-N 1 2 357.385 2.667 20 5 FFBDLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000595627972 520605427 /nfs/dbraw/zinc/60/54/27/520605427.db2.gz DGFICVPRULBOEE-ZJUUUORDSA-N 1 2 364.295 2.907 20 5 FFBDLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000595627972 520605434 /nfs/dbraw/zinc/60/54/34/520605434.db2.gz DGFICVPRULBOEE-ZJUUUORDSA-N 1 2 364.295 2.907 20 5 FFBDLO COC(=O)C[N@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000595659294 520628396 /nfs/dbraw/zinc/62/83/96/520628396.db2.gz LHGXXIIQLYWZBP-UHFFFAOYSA-N 1 2 364.398 2.689 20 5 FFBDLO COC(=O)C[N@@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000595659294 520628401 /nfs/dbraw/zinc/62/84/01/520628401.db2.gz LHGXXIIQLYWZBP-UHFFFAOYSA-N 1 2 364.398 2.689 20 5 FFBDLO C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000598464311 520629825 /nfs/dbraw/zinc/62/98/25/520629825.db2.gz HSBTYQXAFWJGSU-SECBINFHSA-N 1 2 354.819 2.951 20 5 FFBDLO COc1ccc2c(c1)CC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C2 ZINC000595759735 520703488 /nfs/dbraw/zinc/70/34/88/520703488.db2.gz PBRCRJZRTOQSSL-UHFFFAOYSA-N 1 2 355.394 2.909 20 5 FFBDLO COc1ccc2c(c1)CC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C2 ZINC000595759735 520703496 /nfs/dbraw/zinc/70/34/96/520703496.db2.gz PBRCRJZRTOQSSL-UHFFFAOYSA-N 1 2 355.394 2.909 20 5 FFBDLO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000610476288 520704925 /nfs/dbraw/zinc/70/49/25/520704925.db2.gz VASYXCZOHKUADB-JKIFEVAISA-N 1 2 351.422 2.808 20 5 FFBDLO C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000610476288 520704930 /nfs/dbraw/zinc/70/49/30/520704930.db2.gz VASYXCZOHKUADB-JKIFEVAISA-N 1 2 351.422 2.808 20 5 FFBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000610614077 520766412 /nfs/dbraw/zinc/76/64/12/520766412.db2.gz AZAAPDOGECQDSZ-UKRRQHHQSA-N 1 2 367.427 2.524 20 5 FFBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000610614077 520766420 /nfs/dbraw/zinc/76/64/20/520766420.db2.gz AZAAPDOGECQDSZ-UKRRQHHQSA-N 1 2 367.427 2.524 20 5 FFBDLO Cc1cc(N2CCC(OCCCO)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000610686706 520795862 /nfs/dbraw/zinc/79/58/62/520795862.db2.gz NOTCELXHTVFQIS-UHFFFAOYSA-N 1 2 372.425 2.728 20 5 FFBDLO CC(C)O[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000593239177 520850090 /nfs/dbraw/zinc/85/00/90/520850090.db2.gz DRAXFWSTWLNGBK-HNNXBMFYSA-N 1 2 358.398 2.810 20 5 FFBDLO O=C(N[C@@H](C1CC1)C1CCOCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000593279552 520877141 /nfs/dbraw/zinc/87/71/41/520877141.db2.gz IHRYWBFGIXUIJF-SFHVURJKSA-N 1 2 370.409 2.716 20 5 FFBDLO O=[N+]([O-])c1ccccc1NCCc1noc(Cc2cn3c([nH+]2)CCCC3)n1 ZINC000593292441 520889426 /nfs/dbraw/zinc/88/94/26/520889426.db2.gz CNDPPACUFRQHCV-UHFFFAOYSA-N 1 2 368.397 2.756 20 5 FFBDLO O=c1[nH]ccc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596183855 520956521 /nfs/dbraw/zinc/95/65/21/520956521.db2.gz DNOFUYPLYMSRLR-UHFFFAOYSA-N 1 2 365.393 2.697 20 5 FFBDLO CCO[C@H]1C[C@@H](O)C12CCN(c1ccc3c[nH+]ccc3c1[N+](=O)[O-])CC2 ZINC000599049407 520999799 /nfs/dbraw/zinc/99/97/99/520999799.db2.gz WKYNDVKQBJHUBM-SJORKVTESA-N 1 2 357.410 2.899 20 5 FFBDLO O=C(NCC(F)(F)F)[C@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599072058 521014216 /nfs/dbraw/zinc/01/42/16/521014216.db2.gz XEOTVSOGMWDAQZ-NSHDSACASA-N 1 2 368.315 2.648 20 5 FFBDLO CC(C)O[C@@H]1CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000593487054 521026163 /nfs/dbraw/zinc/02/61/63/521026163.db2.gz KRYDTBNBDLVAAA-QGZVFWFLSA-N 1 2 363.458 2.821 20 5 FFBDLO COC(=O)c1c(Cl)c(NCC[N@@H+]2C[C@H](C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000596432189 521068324 /nfs/dbraw/zinc/06/83/24/521068324.db2.gz RCXZTOLZEKICPO-MNOVXSKESA-N 1 2 371.821 2.556 20 5 FFBDLO COC(=O)c1c(Cl)c(NCC[N@H+]2C[C@H](C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000596432189 521068335 /nfs/dbraw/zinc/06/83/35/521068335.db2.gz RCXZTOLZEKICPO-MNOVXSKESA-N 1 2 371.821 2.556 20 5 FFBDLO Cc1cc(N2C[C@@H]3CCC[C@]3(CO)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000599174502 521071713 /nfs/dbraw/zinc/07/17/13/521071713.db2.gz RFKWXYFKUHEBPY-HNAYVOBHSA-N 1 2 354.410 2.959 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000618460670 521075336 /nfs/dbraw/zinc/07/53/36/521075336.db2.gz VUXOOHZQSYKIQY-UHFFFAOYSA-N 1 2 350.378 2.715 20 5 FFBDLO CCOc1cc(NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)ccc1[N+](=O)[O-] ZINC000599183391 521075373 /nfs/dbraw/zinc/07/53/73/521075373.db2.gz LVWKCOOEODFBKH-KRWDZBQOSA-N 1 2 372.425 2.701 20 5 FFBDLO CCOc1cc(NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)ccc1[N+](=O)[O-] ZINC000599183391 521075383 /nfs/dbraw/zinc/07/53/83/521075383.db2.gz LVWKCOOEODFBKH-KRWDZBQOSA-N 1 2 372.425 2.701 20 5 FFBDLO CC1(C)C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H]1c1ccncc1 ZINC000596590245 521151204 /nfs/dbraw/zinc/15/12/04/521151204.db2.gz FEJISMBRDYMAMB-IBGZPJMESA-N 1 2 366.421 2.962 20 5 FFBDLO CC1(C)C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H]1c1ccncc1 ZINC000596590245 521151210 /nfs/dbraw/zinc/15/12/10/521151210.db2.gz FEJISMBRDYMAMB-IBGZPJMESA-N 1 2 366.421 2.962 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596598172 521156587 /nfs/dbraw/zinc/15/65/87/521156587.db2.gz DDIAMPNQTGGKHI-GFCCVEGCSA-N 1 2 357.414 2.729 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596598172 521156593 /nfs/dbraw/zinc/15/65/93/521156593.db2.gz DDIAMPNQTGGKHI-GFCCVEGCSA-N 1 2 357.414 2.729 20 5 FFBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccccc2)[C@]2(CO)CCOC2)c(F)c1 ZINC000599395467 521196356 /nfs/dbraw/zinc/19/63/56/521196356.db2.gz DAVHDJDQVKODHQ-IBGZPJMESA-N 1 2 360.385 2.888 20 5 FFBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccccc2)[C@]2(CO)CCOC2)c(F)c1 ZINC000599395467 521196367 /nfs/dbraw/zinc/19/63/67/521196367.db2.gz DAVHDJDQVKODHQ-IBGZPJMESA-N 1 2 360.385 2.888 20 5 FFBDLO C[C@@H]1C[NH+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1(F)F ZINC000599516197 521271512 /nfs/dbraw/zinc/27/15/12/521271512.db2.gz XYDCKWHZTOTWJP-VXGBXAGGSA-N 1 2 362.398 2.592 20 5 FFBDLO COC(=O)[C@@](C)(NCc1cn2cc(C)ccc2[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000599642915 521354419 /nfs/dbraw/zinc/35/44/19/521354419.db2.gz KYPOUEJOZOKOEY-IBGZPJMESA-N 1 2 368.393 2.729 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000594029146 521359750 /nfs/dbraw/zinc/35/97/50/521359750.db2.gz AKLGOUOGABEUMU-UHFFFAOYSA-N 1 2 368.393 2.686 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000594029146 521359755 /nfs/dbraw/zinc/35/97/55/521359755.db2.gz AKLGOUOGABEUMU-UHFFFAOYSA-N 1 2 368.393 2.686 20 5 FFBDLO COC(=O)C1C[C@H](C)[NH+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000599688106 521402383 /nfs/dbraw/zinc/40/23/83/521402383.db2.gz IATCNRVBPNDOKY-STQMWFEESA-N 1 2 363.414 2.504 20 5 FFBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594099512 521403026 /nfs/dbraw/zinc/40/30/26/521403026.db2.gz QRNDATRPYZKLEV-UPJWGTAASA-N 1 2 369.849 2.784 20 5 FFBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594099512 521403033 /nfs/dbraw/zinc/40/30/33/521403033.db2.gz QRNDATRPYZKLEV-UPJWGTAASA-N 1 2 369.849 2.784 20 5 FFBDLO Cc1cc(NCCNC(=O)Nc2cc([N+](=O)[O-])ccc2C)nc(C(C)C)[nH+]1 ZINC000599697433 521409038 /nfs/dbraw/zinc/40/90/38/521409038.db2.gz YXRSWQOKNJGBQB-UHFFFAOYSA-N 1 2 372.429 2.781 20 5 FFBDLO Cn1cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)c(C(F)(F)F)n1 ZINC000602574656 521417909 /nfs/dbraw/zinc/41/79/09/521417909.db2.gz LBPALSDQXPAFQL-UHFFFAOYSA-N 1 2 355.276 2.778 20 5 FFBDLO C[N@H+](CCc1cnccn1)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602594674 521428355 /nfs/dbraw/zinc/42/83/55/521428355.db2.gz CAEQUNJSQINQQI-UHFFFAOYSA-N 1 2 357.233 2.883 20 5 FFBDLO C[N@@H+](CCc1cnccn1)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602594674 521428370 /nfs/dbraw/zinc/42/83/70/521428370.db2.gz CAEQUNJSQINQQI-UHFFFAOYSA-N 1 2 357.233 2.883 20 5 FFBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000612035779 521449853 /nfs/dbraw/zinc/44/98/53/521449853.db2.gz XMZAOXGKOXSVEX-CQSZACIVSA-N 1 2 364.348 2.671 20 5 FFBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCc2c(F)cc(F)cc2C1 ZINC000612035779 521449866 /nfs/dbraw/zinc/44/98/66/521449866.db2.gz XMZAOXGKOXSVEX-CQSZACIVSA-N 1 2 364.348 2.671 20 5 FFBDLO CCOC(=O)CCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)C ZINC000594189093 521457451 /nfs/dbraw/zinc/45/74/51/521457451.db2.gz MRXPOQUNBAWGSW-UHFFFAOYSA-N 1 2 374.397 2.584 20 5 FFBDLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000615765569 521523754 /nfs/dbraw/zinc/52/37/54/521523754.db2.gz ROOKLVDKLAJDQR-CXAGYDPISA-N 1 2 358.423 2.628 20 5 FFBDLO COc1cc(C[NH2+][C@H](C)c2nccn2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000597234327 521588061 /nfs/dbraw/zinc/58/80/61/521588061.db2.gz XCMSXWBDLYFDHH-SNVBAGLBSA-N 1 2 370.356 2.832 20 5 FFBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000619506873 521601051 /nfs/dbraw/zinc/60/10/51/521601051.db2.gz AXJHSBQDHMJDEH-UHFFFAOYSA-N 1 2 374.378 2.590 20 5 FFBDLO CNC(=O)C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 ZINC000619517128 521604505 /nfs/dbraw/zinc/60/45/05/521604505.db2.gz YOPVMJYPTRVTAA-CQSZACIVSA-N 1 2 354.366 2.703 20 5 FFBDLO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000619581161 521781541 /nfs/dbraw/zinc/78/15/41/521781541.db2.gz VWLORKVVSHCIOK-UHFFFAOYSA-N 1 2 366.381 2.780 20 5 FFBDLO O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CC[NH+](CCCF)CC1 ZINC000627961367 523238996 /nfs/dbraw/zinc/23/89/96/523238996.db2.gz SOFBIQGFUUCHAA-UHFFFAOYSA-N 1 2 367.424 2.799 20 5 FFBDLO COc1c(C(=O)NCCNc2ccc3ccccc3[nH+]2)cccc1[N+](=O)[O-] ZINC000476133836 561111736 /nfs/dbraw/zinc/11/17/36/561111736.db2.gz DNZMXUXDXGBOSC-UHFFFAOYSA-N 1 2 366.377 2.994 20 5 FFBDLO O=C(N[C@H]1CCC[N@H+](CCF)C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000898504984 735371766 /nfs/dbraw/zinc/37/17/66/735371766.db2.gz WJXNIKCYXFSBHW-NSHDSACASA-N 1 2 363.311 2.777 20 5 FFBDLO O=C(N[C@H]1CCC[N@@H+](CCF)C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000898504984 735371770 /nfs/dbraw/zinc/37/17/70/735371770.db2.gz WJXNIKCYXFSBHW-NSHDSACASA-N 1 2 363.311 2.777 20 5 FFBDLO O=[N+]([O-])c1cccc(Br)c1C[NH+]1CCC(O)(C(F)F)CC1 ZINC000779208562 738443382 /nfs/dbraw/zinc/44/33/82/738443382.db2.gz LBGXKFKNUPMXDD-UHFFFAOYSA-N 1 2 365.174 2.949 20 5 FFBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCn2c[nH+]cc21 ZINC000857981249 730415145 /nfs/dbraw/zinc/41/51/45/730415145.db2.gz YJMATKAUPCLSEM-JTQLQIEISA-N 1 2 352.803 2.798 20 5 FFBDLO CO[C@@]1(C(F)(F)F)CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000780499205 738550045 /nfs/dbraw/zinc/55/00/45/738550045.db2.gz SHKCDQHDLQELCH-AWEZNQCLSA-N 1 2 358.320 2.945 20 5 FFBDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000780499205 738550049 /nfs/dbraw/zinc/55/00/49/738550049.db2.gz SHKCDQHDLQELCH-AWEZNQCLSA-N 1 2 358.320 2.945 20 5 FFBDLO O=[N+]([O-])c1sc(C[N@@H+]2CC[C@@H](C3OCCO3)C2)cc1Br ZINC000896377688 735148636 /nfs/dbraw/zinc/14/86/36/735148636.db2.gz KLHUJIFOFMHNLJ-MRVPVSSYSA-N 1 2 363.233 2.614 20 5 FFBDLO O=[N+]([O-])c1sc(C[N@H+]2CC[C@@H](C3OCCO3)C2)cc1Br ZINC000896377688 735148637 /nfs/dbraw/zinc/14/86/37/735148637.db2.gz KLHUJIFOFMHNLJ-MRVPVSSYSA-N 1 2 363.233 2.614 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000907131982 736588105 /nfs/dbraw/zinc/58/81/05/736588105.db2.gz KVBHEYXQCSMWNK-CYBMUJFWSA-N 1 2 362.817 2.930 20 5 FFBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000907835656 736673017 /nfs/dbraw/zinc/67/30/17/736673017.db2.gz JVVJIFYKTMREPC-UHFFFAOYSA-N 1 2 373.812 2.570 20 5 FFBDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000907835656 736673020 /nfs/dbraw/zinc/67/30/20/736673020.db2.gz JVVJIFYKTMREPC-UHFFFAOYSA-N 1 2 373.812 2.570 20 5 FFBDLO C[C@@H](C(=O)N1CCC([N@H+](C)CC(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000761965680 736777754 /nfs/dbraw/zinc/77/77/54/736777754.db2.gz PAKFPQFGPXBXSD-GFCCVEGCSA-N 1 2 355.385 2.886 20 5 FFBDLO C[C@@H](C(=O)N1CCC([N@@H+](C)CC(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000761965680 736777758 /nfs/dbraw/zinc/77/77/58/736777758.db2.gz PAKFPQFGPXBXSD-GFCCVEGCSA-N 1 2 355.385 2.886 20 5 FFBDLO O=C(NCc1cc(Cl)ccn1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000770430430 737626695 /nfs/dbraw/zinc/62/66/95/737626695.db2.gz JHDKAZVEEULNEU-UHFFFAOYSA-N 1 2 357.757 2.759 20 5 FFBDLO Cc1nnc([C@@H](C)OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC000785679756 738988000 /nfs/dbraw/zinc/98/80/00/738988000.db2.gz YBALGKAMRAZZTK-SECBINFHSA-N 1 2 359.367 2.858 20 5 FFBDLO O=C(O[C@@H]1CC[N@H+](CCF)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000802234153 740687507 /nfs/dbraw/zinc/68/75/07/740687507.db2.gz NBPBMKFXBZZWJD-SNVBAGLBSA-N 1 2 361.167 2.558 20 5 FFBDLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000802234153 740687509 /nfs/dbraw/zinc/68/75/09/740687509.db2.gz NBPBMKFXBZZWJD-SNVBAGLBSA-N 1 2 361.167 2.558 20 5 FFBDLO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@@H]1CSCCS1 ZINC000813173665 741684545 /nfs/dbraw/zinc/68/45/45/741684545.db2.gz ILNTXYGJWLVKDC-GJZGRUSLSA-N 1 2 368.480 2.561 20 5 FFBDLO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@@H]1CSCCS1 ZINC000813173665 741684546 /nfs/dbraw/zinc/68/45/46/741684546.db2.gz ILNTXYGJWLVKDC-GJZGRUSLSA-N 1 2 368.480 2.561 20 5 FFBDLO CC(C)[C@]1(CO)CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000815233819 741915684 /nfs/dbraw/zinc/91/56/84/741915684.db2.gz USQPMYTUDGVNLX-QGZVFWFLSA-N 1 2 369.849 2.917 20 5 FFBDLO CC(C)[C@]1(CO)CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000815233819 741915686 /nfs/dbraw/zinc/91/56/86/741915686.db2.gz USQPMYTUDGVNLX-QGZVFWFLSA-N 1 2 369.849 2.917 20 5 FFBDLO C[N@H+](Cn1cc(Br)c([N+](=O)[O-])n1)C1CC(OC(C)(C)C)C1 ZINC000817373648 742132791 /nfs/dbraw/zinc/13/27/91/742132791.db2.gz DSSVZGZEJYQPHG-UHFFFAOYSA-N 1 2 361.240 2.789 20 5 FFBDLO C[N@@H+](Cn1cc(Br)c([N+](=O)[O-])n1)C1CC(OC(C)(C)C)C1 ZINC000817373648 742132794 /nfs/dbraw/zinc/13/27/94/742132794.db2.gz DSSVZGZEJYQPHG-UHFFFAOYSA-N 1 2 361.240 2.789 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H]2CSC[C@H]2C1 ZINC000827181380 743527196 /nfs/dbraw/zinc/52/71/96/743527196.db2.gz MFFJPHJSWACPAF-ZIAGYGMSSA-N 1 2 358.423 2.606 20 5 FFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@](O)(C(F)F)C2)c1Br ZINC000839615433 746872627 /nfs/dbraw/zinc/87/26/27/746872627.db2.gz OHUMEWRNYMPVJV-LBPRGKRZSA-N 1 2 351.147 2.559 20 5 FFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@](O)(C(F)F)C2)c1Br ZINC000839615433 746872634 /nfs/dbraw/zinc/87/26/34/746872634.db2.gz OHUMEWRNYMPVJV-LBPRGKRZSA-N 1 2 351.147 2.559 20 5 FFBDLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000844363425 748013265 /nfs/dbraw/zinc/01/32/65/748013265.db2.gz CYBJLTKNOXCCAC-DAXOMENPSA-N 1 2 350.415 2.823 20 5 FFBDLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000844363425 748013273 /nfs/dbraw/zinc/01/32/73/748013273.db2.gz CYBJLTKNOXCCAC-DAXOMENPSA-N 1 2 350.415 2.823 20 5 FFBDLO COCC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H](O)C(F)(F)F ZINC000847022964 748600596 /nfs/dbraw/zinc/60/05/96/748600596.db2.gz DVXKORDKHJPSHT-LBPRGKRZSA-N 1 2 356.728 2.620 20 5 FFBDLO COCC[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H](O)C(F)(F)F ZINC000847022964 748600599 /nfs/dbraw/zinc/60/05/99/748600599.db2.gz DVXKORDKHJPSHT-LBPRGKRZSA-N 1 2 356.728 2.620 20 5 FFBDLO O=[N+]([O-])c1ccc2nc(N(CC[NH+]3CCOCC3)CC3CC3)sc2c1 ZINC000853906324 750197349 /nfs/dbraw/zinc/19/73/49/750197349.db2.gz MQANYYXWTYBEMI-UHFFFAOYSA-N 1 2 362.455 2.753 20 5 FFBDLO Cc1c(C[NH2+][C@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000121005816 961239961 /nfs/dbraw/zinc/23/99/61/961239961.db2.gz WYODRAZUBBSGKR-CYBMUJFWSA-N 1 2 371.401 2.948 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC001175029323 1013371620 /nfs/dbraw/zinc/37/16/20/1013371620.db2.gz BIMSGPYIVYEFFB-DAYGRLMNSA-N 1 2 370.409 2.546 20 5 FFBDLO CSc1ccc(C(=O)NCCCN(C)c2cccc[nH+]2)cc1[N+](=O)[O-] ZINC001175697781 1013526537 /nfs/dbraw/zinc/52/65/37/1013526537.db2.gz ZQJCXGNJLHMOKJ-UHFFFAOYSA-N 1 2 360.439 2.968 20 5 FFBDLO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@@H](O)c3c(F)cccc3F)CC2)c1 ZINC000051377576 966090707 /nfs/dbraw/zinc/09/07/07/966090707.db2.gz BDGPNKATCLUEFP-QGZVFWFLSA-N 1 2 363.364 2.729 20 5 FFBDLO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](c2ncccn2)C2CC2)cccc1[N+](=O)[O-] ZINC001176346926 1013679803 /nfs/dbraw/zinc/67/98/03/1013679803.db2.gz UKXHRHTZVOZKDU-LRDDRELGSA-N 1 2 355.398 2.761 20 5 FFBDLO CSc1nccnc1C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000893052593 970541057 /nfs/dbraw/zinc/54/10/57/970541057.db2.gz FZHKIHROAHQSIL-AWEZNQCLSA-N 1 2 374.422 2.538 20 5 FFBDLO CSc1nccnc1C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000893052593 970541065 /nfs/dbraw/zinc/54/10/65/970541065.db2.gz FZHKIHROAHQSIL-AWEZNQCLSA-N 1 2 374.422 2.538 20 5 FFBDLO Cc1ccc(CNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000876172434 1014157434 /nfs/dbraw/zinc/15/74/34/1014157434.db2.gz VTJAJPYKWCGLTC-PBHICJAKSA-N 1 2 357.414 2.892 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1F ZINC000876921249 1014422461 /nfs/dbraw/zinc/42/24/61/1014422461.db2.gz NAZWZYHPKCBCPU-QWQCLYJRSA-N 1 2 370.388 2.747 20 5 FFBDLO O=C(Oc1ccc2nccnc2c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000760737571 984448208 /nfs/dbraw/zinc/44/82/08/984448208.db2.gz GWYNWTIIGUYOLX-UHFFFAOYSA-N 1 2 361.317 2.943 20 5 FFBDLO C[C@H](O)c1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000171133551 985221813 /nfs/dbraw/zinc/22/18/13/985221813.db2.gz USLGQDYVJGRBOZ-ZDUSSCGKSA-N 1 2 366.377 2.764 20 5 FFBDLO COc1ccccc1[C@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000879631254 1015618249 /nfs/dbraw/zinc/61/82/49/1015618249.db2.gz RBGQJXYRWRXYMB-PKOBYXMFSA-N 1 2 358.394 2.710 20 5 FFBDLO COc1ccccc1[C@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000879631254 1015618253 /nfs/dbraw/zinc/61/82/53/1015618253.db2.gz RBGQJXYRWRXYMB-PKOBYXMFSA-N 1 2 358.394 2.710 20 5 FFBDLO Cn1c[nH+]cc1Cc1noc(-c2cc([N+](=O)[O-])ccc2N2CCCCC2)n1 ZINC000809447959 994521329 /nfs/dbraw/zinc/52/13/29/994521329.db2.gz LEORQNPWWTUWBL-UHFFFAOYSA-N 1 2 368.397 2.959 20 5 FFBDLO CC1(C)C[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1[C@H]1CCCO1 ZINC000811777222 995240306 /nfs/dbraw/zinc/24/03/06/995240306.db2.gz AZDANTNUMCYASD-HZPDHXFCSA-N 1 2 357.414 2.700 20 5 FFBDLO CC1(C)C[N@@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1[C@H]1CCCO1 ZINC000811777222 995240314 /nfs/dbraw/zinc/24/03/14/995240314.db2.gz AZDANTNUMCYASD-HZPDHXFCSA-N 1 2 357.414 2.700 20 5 FFBDLO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1coc(C2CC2)n1 ZINC000813171503 995633069 /nfs/dbraw/zinc/63/30/69/995633069.db2.gz LWMHCTDOXZDYMP-HNNXBMFYSA-N 1 2 357.366 2.892 20 5 FFBDLO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1coc(C2CC2)n1 ZINC000813171503 995633077 /nfs/dbraw/zinc/63/30/77/995633077.db2.gz LWMHCTDOXZDYMP-HNNXBMFYSA-N 1 2 357.366 2.892 20 5 FFBDLO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1nc(Cc2ccccc2)no1 ZINC000743463730 999820011 /nfs/dbraw/zinc/82/00/11/999820011.db2.gz QUQOTMADHRSDNE-SUMWQHHRSA-N 1 2 368.393 2.953 20 5 FFBDLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000745089817 999892022 /nfs/dbraw/zinc/89/20/22/999892022.db2.gz RMTNBLLGGRNKEI-CQSZACIVSA-N 1 2 360.370 2.562 20 5 FFBDLO CC[N@H+]1CCCC[C@@H]1C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000745089817 999892023 /nfs/dbraw/zinc/89/20/23/999892023.db2.gz RMTNBLLGGRNKEI-CQSZACIVSA-N 1 2 360.370 2.562 20 5 FFBDLO C[C@H]1CCCN(c2ccc(C(=O)OCc3c[nH+]cn3C)cc2[N+](=O)[O-])C1 ZINC000770143616 1000690831 /nfs/dbraw/zinc/69/08/31/1000690831.db2.gz FEBIJOPJERDRFM-ZDUSSCGKSA-N 1 2 358.398 2.922 20 5 FFBDLO O=C1OCC[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CCN12 ZINC000770394320 1000769093 /nfs/dbraw/zinc/76/90/93/1000769093.db2.gz YVMZQWJLPRREIO-CYBMUJFWSA-N 1 2 357.366 2.881 20 5 FFBDLO O=C1OCC[C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CCN12 ZINC000770394320 1000769096 /nfs/dbraw/zinc/76/90/96/1000769096.db2.gz YVMZQWJLPRREIO-CYBMUJFWSA-N 1 2 357.366 2.881 20 5 FFBDLO Cc1cccn2cc(CCNC(=O)c3cc([N+](=O)[O-])cc(C)c3F)[nH+]c12 ZINC000790815651 1002501810 /nfs/dbraw/zinc/50/18/10/1002501810.db2.gz VGVBGZQVQVXFQY-UHFFFAOYSA-N 1 2 356.357 2.971 20 5 FFBDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170344981 1003132415 /nfs/dbraw/zinc/13/24/15/1003132415.db2.gz GCCMFLFAHWTQPH-BBRMVZONSA-N 1 2 350.415 2.952 20 5 FFBDLO CCOC(=O)[C@@H]1CCCC[N@H+]1[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170344981 1003132419 /nfs/dbraw/zinc/13/24/19/1003132419.db2.gz GCCMFLFAHWTQPH-BBRMVZONSA-N 1 2 350.415 2.952 20 5 FFBDLO C[N@H+](C[C@@H]1CCc2ccccc21)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000853610604 1006473610 /nfs/dbraw/zinc/47/36/10/1006473610.db2.gz QIOASAJJGXKPGI-AWEZNQCLSA-N 1 2 365.389 2.810 20 5 FFBDLO C[N@@H+](C[C@@H]1CCc2ccccc21)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000853610604 1006473615 /nfs/dbraw/zinc/47/36/15/1006473615.db2.gz QIOASAJJGXKPGI-AWEZNQCLSA-N 1 2 365.389 2.810 20 5 FFBDLO Cc1ccc(OS(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC001188310734 1006505991 /nfs/dbraw/zinc/50/59/91/1006505991.db2.gz DUIDXETUYLANCT-UHFFFAOYSA-N 1 2 362.407 2.659 20 5 FFBDLO Cc1ccc(OS(=O)(=O)c2cccc3c2CC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC001188310734 1006505998 /nfs/dbraw/zinc/50/59/98/1006505998.db2.gz DUIDXETUYLANCT-UHFFFAOYSA-N 1 2 362.407 2.659 20 5 FFBDLO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ncoc1C1CC1 ZINC000816092822 1006897923 /nfs/dbraw/zinc/89/79/23/1006897923.db2.gz QKAWRPKXWKHPBZ-HNNXBMFYSA-N 1 2 357.366 2.892 20 5 FFBDLO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ncoc1C1CC1 ZINC000816092822 1006897938 /nfs/dbraw/zinc/89/79/38/1006897938.db2.gz QKAWRPKXWKHPBZ-HNNXBMFYSA-N 1 2 357.366 2.892 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCCc2cn3c([nH+]2)CCCC3)c1F ZINC000821223316 1008431619 /nfs/dbraw/zinc/43/16/19/1008431619.db2.gz XODHRIGZOSYAFY-UHFFFAOYSA-N 1 2 364.352 2.687 20 5 FFBDLO Cc1c(Cc2nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no2)cccc1[N+](=O)[O-] ZINC000823393066 1009047975 /nfs/dbraw/zinc/04/79/75/1009047975.db2.gz HFHQEQPVZSOHBZ-LBPRGKRZSA-N 1 2 362.386 2.609 20 5 FFBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861670804 1009505318 /nfs/dbraw/zinc/50/53/18/1009505318.db2.gz QZKUREGKFHFGGI-PBHICJAKSA-N 1 2 369.421 2.683 20 5 FFBDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861996911 1009652575 /nfs/dbraw/zinc/65/25/75/1009652575.db2.gz VNOKJGOUXMRURS-UHFFFAOYSA-N 1 2 357.410 2.589 20 5 FFBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000794620031 1010443929 /nfs/dbraw/zinc/44/39/29/1010443929.db2.gz FZXZZJYKNJGZSQ-UHFFFAOYSA-N 1 2 368.393 2.673 20 5 FFBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1CCCN(c2ccccc2)CC1 ZINC000794620031 1010443933 /nfs/dbraw/zinc/44/39/33/1010443933.db2.gz FZXZZJYKNJGZSQ-UHFFFAOYSA-N 1 2 368.393 2.673 20 5 FFBDLO CC1(C)C[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C[C@]2(CCOC2)O1 ZINC000794703308 1010521870 /nfs/dbraw/zinc/52/18/70/1010521870.db2.gz LVJARHIBYYPTRF-IBGZPJMESA-N 1 2 372.425 2.686 20 5 FFBDLO CC1(C)C[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C[C@]2(CCOC2)O1 ZINC000794703308 1010521875 /nfs/dbraw/zinc/52/18/75/1010521875.db2.gz LVJARHIBYYPTRF-IBGZPJMESA-N 1 2 372.425 2.686 20 5 FFBDLO CN(C)c1cccc(C[N@H+](C)Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)c1 ZINC000120639925 1010817902 /nfs/dbraw/zinc/81/79/02/1010817902.db2.gz RHBZPODOYCPFQQ-UHFFFAOYSA-N 1 2 356.382 2.658 20 5 FFBDLO CN(C)c1cccc(C[N@@H+](C)Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)c1 ZINC000120639925 1010817905 /nfs/dbraw/zinc/81/79/05/1010817905.db2.gz RHBZPODOYCPFQQ-UHFFFAOYSA-N 1 2 356.382 2.658 20 5 FFBDLO COc1cc(C)nc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000120796195 1010879192 /nfs/dbraw/zinc/87/91/92/1010879192.db2.gz LECAMDUAOXQGCH-UHFFFAOYSA-N 1 2 368.349 2.850 20 5 FFBDLO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000866123785 1010933125 /nfs/dbraw/zinc/93/31/25/1010933125.db2.gz DGIMIPMQUVHFAJ-UHFFFAOYSA-N 1 2 355.394 2.825 20 5 FFBDLO COC(=O)[C@H]1C[C@@H](C(F)(F)F)C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001171929707 1011546485 /nfs/dbraw/zinc/54/64/85/1011546485.db2.gz AFEAZDJMLQXIJF-WDEREUQCSA-N 1 2 364.295 2.907 20 5 FFBDLO COC(=O)[C@H]1C[C@@H](C(F)(F)F)C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001171929707 1011546500 /nfs/dbraw/zinc/54/65/00/1011546500.db2.gz AFEAZDJMLQXIJF-WDEREUQCSA-N 1 2 364.295 2.907 20 5 FFBDLO COc1cccc([C@H]2CN(C(=O)c3cc(C)cc([N+](=O)[O-])c3)CC[NH2+]2)c1 ZINC000870149223 1012202549 /nfs/dbraw/zinc/20/25/49/1012202549.db2.gz GGWDWSRYZREFSL-GOSISDBHSA-N 1 2 355.394 2.699 20 5 FFBDLO Cc1ccc(NCC[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000927071266 1018345177 /nfs/dbraw/zinc/34/51/77/1018345177.db2.gz RTTMOSCVSSQMBA-GOSISDBHSA-N 1 2 366.425 2.823 20 5 FFBDLO CN(CC(=O)N1CCC(Nc2cccc[nH+]2)CC1)c1ccccc1[N+](=O)[O-] ZINC000927090618 1018356165 /nfs/dbraw/zinc/35/61/65/1018356165.db2.gz WTYXTLAYKUBTLF-UHFFFAOYSA-N 1 2 369.425 2.529 20 5 FFBDLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000778051520 1020664852 /nfs/dbraw/zinc/66/48/52/1020664852.db2.gz DEVZCTPTOJUNPC-INIZCTEOSA-N 1 2 361.348 2.990 20 5 FFBDLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000778051520 1020664855 /nfs/dbraw/zinc/66/48/55/1020664855.db2.gz DEVZCTPTOJUNPC-INIZCTEOSA-N 1 2 361.348 2.990 20 5 FFBDLO Cc1noc(C[N@@H+]2Cc3ccccc3OC3(CCOCC3)C2)c1[N+](=O)[O-] ZINC000932039812 1020682263 /nfs/dbraw/zinc/68/22/63/1020682263.db2.gz XWCGBFBTBVDMJO-UHFFFAOYSA-N 1 2 359.382 2.835 20 5 FFBDLO Cc1noc(C[N@H+]2Cc3ccccc3OC3(CCOCC3)C2)c1[N+](=O)[O-] ZINC000932039812 1020682267 /nfs/dbraw/zinc/68/22/67/1020682267.db2.gz XWCGBFBTBVDMJO-UHFFFAOYSA-N 1 2 359.382 2.835 20 5 FFBDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778246706 1021249583 /nfs/dbraw/zinc/24/95/83/1021249583.db2.gz KYAAVDLDJKFFPW-ZDUSSCGKSA-N 1 2 374.426 2.641 20 5 FFBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000779215393 1023367164 /nfs/dbraw/zinc/36/71/64/1023367164.db2.gz YCGUBWODXAPVRV-AWEZNQCLSA-N 1 2 369.425 2.526 20 5 FFBDLO CCn1cc([N+](=O)[O-])c(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)n1 ZINC000755577705 1023611839 /nfs/dbraw/zinc/61/18/39/1023611839.db2.gz VDMLZUPGQMKWJD-UHFFFAOYSA-N 1 2 355.354 2.662 20 5 FFBDLO Cc1ccc(COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000839395936 1026665549 /nfs/dbraw/zinc/66/55/49/1026665549.db2.gz FFWKYHIGTVBQJR-IBGZPJMESA-N 1 2 370.405 2.847 20 5 FFBDLO Cc1ccc(COC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000839395936 1026665556 /nfs/dbraw/zinc/66/55/56/1026665556.db2.gz FFWKYHIGTVBQJR-IBGZPJMESA-N 1 2 370.405 2.847 20 5 FFBDLO CC(C)C[N@@H+](Cc1cnn(C)c1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000840157148 1026990973 /nfs/dbraw/zinc/99/09/73/1026990973.db2.gz SJAIGANLUKEDIR-UHFFFAOYSA-N 1 2 369.429 2.703 20 5 FFBDLO CC(C)C[N@H+](Cc1cnn(C)c1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000840157148 1026990980 /nfs/dbraw/zinc/99/09/80/1026990980.db2.gz SJAIGANLUKEDIR-UHFFFAOYSA-N 1 2 369.429 2.703 20 5 FFBDLO Cn1nccc1C1=CC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000795655852 1027526991 /nfs/dbraw/zinc/52/69/91/1027526991.db2.gz LRYLXQRRAXSWFY-UHFFFAOYSA-N 1 2 364.409 2.939 20 5 FFBDLO Cn1nccc1C1=CC[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000795655852 1027527001 /nfs/dbraw/zinc/52/70/01/1027527001.db2.gz LRYLXQRRAXSWFY-UHFFFAOYSA-N 1 2 364.409 2.939 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000780764521 1028799803 /nfs/dbraw/zinc/79/98/03/1028799803.db2.gz MQLAMTSQIWJZRA-SJLPKXTDSA-N 1 2 372.450 2.977 20 5 FFBDLO C[C@H](CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001163726447 1029042134 /nfs/dbraw/zinc/04/21/34/1029042134.db2.gz PRPRWKGPOKGREH-MXWKQRLJSA-N 1 2 373.812 2.615 20 5 FFBDLO C[C@H](CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001163726447 1029042147 /nfs/dbraw/zinc/04/21/47/1029042147.db2.gz PRPRWKGPOKGREH-MXWKQRLJSA-N 1 2 373.812 2.615 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH2+]CC(F)(F)C2)nc1-c1ccc(F)cc1 ZINC001164502061 1029303012 /nfs/dbraw/zinc/30/30/12/1029303012.db2.gz DJUVYNXUYGFGGX-UHFFFAOYSA-N 1 2 352.316 2.841 20 5 FFBDLO CCOc1cc(C[NH+]2CCN(c3cccc(F)n3)CC2)ccc1[N+](=O)[O-] ZINC000831486463 1034100253 /nfs/dbraw/zinc/10/02/53/1034100253.db2.gz UBLMFADKVUIDDN-UHFFFAOYSA-N 1 2 360.389 2.850 20 5 FFBDLO Cc1ccnc(O[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC001226120345 1034534728 /nfs/dbraw/zinc/53/47/28/1034534728.db2.gz UJMUHLCANAPBNE-NVXWUHKLSA-N 1 2 357.410 2.967 20 5 FFBDLO Cc1ccnc(O[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC001226120345 1034534735 /nfs/dbraw/zinc/53/47/35/1034534735.db2.gz UJMUHLCANAPBNE-NVXWUHKLSA-N 1 2 357.410 2.967 20 5 FFBDLO COc1cc(O[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)ncc1[N+](=O)[O-] ZINC001226581335 1034744981 /nfs/dbraw/zinc/74/49/81/1034744981.db2.gz OHMRVTOHBHMNEA-RDTXWAMCSA-N 1 2 373.409 2.667 20 5 FFBDLO COc1cc(O[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ncc1[N+](=O)[O-] ZINC001226581335 1034744992 /nfs/dbraw/zinc/74/49/92/1034744992.db2.gz OHMRVTOHBHMNEA-RDTXWAMCSA-N 1 2 373.409 2.667 20 5 FFBDLO Cc1cnc(O[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC001227236014 1034981207 /nfs/dbraw/zinc/98/12/07/1034981207.db2.gz BEGRTOFDDXSIPR-YJBOKZPZSA-N 1 2 357.410 2.967 20 5 FFBDLO Cc1cnc(O[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC001227236014 1034981211 /nfs/dbraw/zinc/98/12/11/1034981211.db2.gz BEGRTOFDDXSIPR-YJBOKZPZSA-N 1 2 357.410 2.967 20 5 FFBDLO COC(=O)[C@@H](CC(C)C)OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835167474 1035592922 /nfs/dbraw/zinc/59/29/22/1035592922.db2.gz DZEJMAHKGAWWCL-OAHLLOKOSA-N 1 2 361.354 2.525 20 5 FFBDLO COc1cccc([N+](=O)[O-])c1OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001227701729 1035684335 /nfs/dbraw/zinc/68/43/35/1035684335.db2.gz PVNNIYYOTVJELX-INIZCTEOSA-N 1 2 358.394 2.883 20 5 FFBDLO COc1cccc([N+](=O)[O-])c1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001227701729 1035684344 /nfs/dbraw/zinc/68/43/44/1035684344.db2.gz PVNNIYYOTVJELX-INIZCTEOSA-N 1 2 358.394 2.883 20 5 FFBDLO O=c1oc2ccccc2c(OC2C[NH+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001228802085 1036334576 /nfs/dbraw/zinc/33/45/76/1036334576.db2.gz FCRKBNFVYKOMHB-UHFFFAOYSA-N 1 2 352.346 2.964 20 5 FFBDLO CCC(C)(C)c1cc([N+](=O)[O-])c(OC[C@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC001233528806 1036671779 /nfs/dbraw/zinc/67/17/79/1036671779.db2.gz OCXNOMCFJZVCBA-CYBMUJFWSA-N 1 2 367.402 2.900 20 5 FFBDLO CCC(C)(C)c1cc([N+](=O)[O-])c(OC[C@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC001233528806 1036671784 /nfs/dbraw/zinc/67/17/84/1036671784.db2.gz OCXNOMCFJZVCBA-CYBMUJFWSA-N 1 2 367.402 2.900 20 5 FFBDLO C[N@@H+]1CCO[C@H](COc2cc(C(F)(F)F)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001233971009 1036848961 /nfs/dbraw/zinc/84/89/61/1036848961.db2.gz YSXMLKCRDXTUEI-NSHDSACASA-N 1 2 371.315 2.871 20 5 FFBDLO C[N@H+]1CCO[C@H](COc2cc(C(F)(F)F)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001233971009 1036848992 /nfs/dbraw/zinc/84/89/92/1036848992.db2.gz YSXMLKCRDXTUEI-NSHDSACASA-N 1 2 371.315 2.871 20 5 FFBDLO O=[N+]([O-])c1cccc(I)c1O[C@@H]1C[NH+]2CCC1CC2 ZINC001229880318 1036955774 /nfs/dbraw/zinc/95/57/74/1036955774.db2.gz NLMDBOUODUKCLF-GFCCVEGCSA-N 1 2 374.178 2.672 20 5 FFBDLO CC(C)[NH+]1CC(Oc2ccc(I)c([N+](=O)[O-])c2)C1 ZINC001229946349 1036993603 /nfs/dbraw/zinc/99/36/03/1036993603.db2.gz NUPJCGOKCJPJSH-UHFFFAOYSA-N 1 2 362.167 2.671 20 5 FFBDLO COC[C@@H]([NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC001207773141 1037712276 /nfs/dbraw/zinc/71/22/76/1037712276.db2.gz AUURADPAQPOWQM-CQSZACIVSA-N 1 2 350.346 2.925 20 5 FFBDLO COc1cc(N2CCC([N@@H+]3CCC[C@H](F)C(=O)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093971 1038380264 /nfs/dbraw/zinc/38/02/64/1038380264.db2.gz UCIDQMGBPWLZST-HNNXBMFYSA-N 1 2 365.405 2.575 20 5 FFBDLO COc1cc(N2CCC([N@H+]3CCC[C@H](F)C(=O)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093971 1038380277 /nfs/dbraw/zinc/38/02/77/1038380277.db2.gz UCIDQMGBPWLZST-HNNXBMFYSA-N 1 2 365.405 2.575 20 5 FFBDLO CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1cnn(C)c1 ZINC001537142105 1070130644 /nfs/dbraw/zinc/13/06/44/1070130644.db2.gz AFHUPLKZAJSOQT-QGZVFWFLSA-N 1 2 368.397 2.641 20 5 FFBDLO OC[C@H](c1nc(-c2ccc3ccc4cccnc4c3n2)no1)n1cc[nH+]c1 ZINC001247259246 1039677325 /nfs/dbraw/zinc/67/73/25/1039677325.db2.gz BVPMKCBTVULRAE-OAHLLOKOSA-N 1 2 358.361 2.611 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CC(F)(F)CC[C@@H]3CO)CC2)cc1 ZINC001254476652 1040742522 /nfs/dbraw/zinc/74/25/22/1040742522.db2.gz VJPUILFJQJYKFL-MRXNPFEDSA-N 1 2 355.385 2.656 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC(F)(F)CC[C@@H]3CO)CC2)cc1 ZINC001254476652 1040742536 /nfs/dbraw/zinc/74/25/36/1040742536.db2.gz VJPUILFJQJYKFL-MRXNPFEDSA-N 1 2 355.385 2.656 20 5 FFBDLO COC(=O)[C@@](C)(Cc1ccc(O)cc1)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580785 1040814332 /nfs/dbraw/zinc/81/43/32/1040814332.db2.gz FUBNUVFKOKFULU-OXQOHEQNSA-N 1 2 370.405 2.532 20 5 FFBDLO O=C(C1CCCCC1)N1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254609402 1040837409 /nfs/dbraw/zinc/83/74/09/1040837409.db2.gz WEAMZAGOWXISIM-LJQANCHMSA-N 1 2 357.454 2.787 20 5 FFBDLO Cc1ccc(C(=O)N2CC[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)cc1 ZINC001254608639 1040837532 /nfs/dbraw/zinc/83/75/32/1040837532.db2.gz RWCODNRCHAYIEZ-FQEVSTJZSA-N 1 2 365.433 2.828 20 5 FFBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC001310800807 1043743355 /nfs/dbraw/zinc/74/33/55/1043743355.db2.gz KBFAXFGKOXVQAS-NEPJUHHUSA-N 1 2 370.837 2.787 20 5 FFBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001333746108 1049097898 /nfs/dbraw/zinc/09/78/98/1049097898.db2.gz BUEBZYQXZBOAAY-WBAXXEDZSA-N 1 2 368.437 2.913 20 5 FFBDLO O=C(N[C@@H](CCO)c1ccccc1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001295003013 1049861371 /nfs/dbraw/zinc/86/13/71/1049861371.db2.gz NCRRLECUWRAVMF-INIZCTEOSA-N 1 2 366.377 2.634 20 5 FFBDLO CCc1ccc(C[NH+]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)CC2)cc1 ZINC001303084054 1051272524 /nfs/dbraw/zinc/27/25/24/1051272524.db2.gz PZVMLAQBJGUMCL-UHFFFAOYSA-N 1 2 368.437 2.697 20 5 FFBDLO Cc1ccc(NC(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)c(N)c1[N+](=O)[O-] ZINC001304500304 1051625819 /nfs/dbraw/zinc/62/58/19/1051625819.db2.gz JZHRMPGHXJGERT-XEZPLFJOSA-N 1 2 364.446 2.558 20 5 FFBDLO O=C(C[N@@H+]1CCCC[C@]12CCOC2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001308166241 1052422428 /nfs/dbraw/zinc/42/24/28/1052422428.db2.gz IWWUWXCIDLAVLR-MRXNPFEDSA-N 1 2 353.806 2.832 20 5 FFBDLO O=C(C[N@H+]1CCCC[C@]12CCOC2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001308166241 1052422431 /nfs/dbraw/zinc/42/24/31/1052422431.db2.gz IWWUWXCIDLAVLR-MRXNPFEDSA-N 1 2 353.806 2.832 20 5 FFBDLO CCc1nn(C)c(OC)c1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001308350928 1052448935 /nfs/dbraw/zinc/44/89/35/1052448935.db2.gz OLFYKLJNKLWQTJ-UHFFFAOYSA-N 1 2 370.356 2.791 20 5 FFBDLO CC(C)(COC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)n1cc[nH+]c1 ZINC001344106455 1052600317 /nfs/dbraw/zinc/60/03/17/1052600317.db2.gz HNEWLHZJFOGYCG-UHFFFAOYSA-N 1 2 355.297 2.985 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@H]1CCCO1 ZINC001348666638 1054850561 /nfs/dbraw/zinc/85/05/61/1054850561.db2.gz LZMTXHOOENTGKI-SJLPKXTDSA-N 1 2 370.409 2.954 20 5 FFBDLO Cn1c[nH+]cc1C1CCN(C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])CC1 ZINC001337764336 1055001636 /nfs/dbraw/zinc/00/16/36/1055001636.db2.gz AFJSZBVLICSWHA-UHFFFAOYSA-N 1 2 350.325 2.626 20 5 FFBDLO Cn1c[nH+]cc1CCCOC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001519077384 1058617355 /nfs/dbraw/zinc/61/73/55/1058617355.db2.gz UNBJETNLARJUNN-UHFFFAOYSA-N 1 2 355.297 2.719 20 5 FFBDLO C[N@H+](CCOc1ccccc1)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848473593 1060088299 /nfs/dbraw/zinc/08/82/99/1060088299.db2.gz JYSOAGIGNRCVFA-LJQANCHMSA-N 1 2 369.421 2.879 20 5 FFBDLO C[N@@H+](CCOc1ccccc1)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848473593 1060088305 /nfs/dbraw/zinc/08/83/05/1060088305.db2.gz JYSOAGIGNRCVFA-LJQANCHMSA-N 1 2 369.421 2.879 20 5 FFBDLO CN(C)C(=O)O[C@H]1CCC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848491115 1060148460 /nfs/dbraw/zinc/14/84/60/1060148460.db2.gz SBPDOXHROGEVNR-HNNXBMFYSA-N 1 2 373.413 2.578 20 5 FFBDLO CN(C)C(=O)O[C@H]1CCC[N@@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848491115 1060148470 /nfs/dbraw/zinc/14/84/70/1060148470.db2.gz SBPDOXHROGEVNR-HNNXBMFYSA-N 1 2 373.413 2.578 20 5 FFBDLO CC1(C)C[N@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)[C@@H]1[C@@H]1CCCO1 ZINC000848491675 1060150256 /nfs/dbraw/zinc/15/02/56/1060150256.db2.gz XXCSXGGCJYSGEZ-FGTMMUONSA-N 1 2 373.453 2.758 20 5 FFBDLO CC1(C)C[N@@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)[C@@H]1[C@@H]1CCCO1 ZINC000848491675 1060150265 /nfs/dbraw/zinc/15/02/65/1060150265.db2.gz XXCSXGGCJYSGEZ-FGTMMUONSA-N 1 2 373.453 2.758 20 5 FFBDLO O=C(N1CCC[C@@H](n2cc[nH+]c2)C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848581303 1060310013 /nfs/dbraw/zinc/31/00/13/1060310013.db2.gz LRUYOIMQWPRNMT-CYBMUJFWSA-N 1 2 366.324 2.627 20 5 FFBDLO O=C(Nc1cc2ccccc2nn1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001526691710 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O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCc2cc(F)c(F)cc2C1 ZINC001473754781 1065346763 /nfs/dbraw/zinc/34/67/63/1065346763.db2.gz KFSMLUAIBCQXGM-CQSZACIVSA-N 1 2 364.348 2.671 20 5 FFBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cc(-c4ccccn4)n[nH]3)CC2)c1 ZINC001474378821 1065509082 /nfs/dbraw/zinc/50/90/82/1065509082.db2.gz JMQPJWPXRXMTSA-UHFFFAOYSA-N 1 2 364.409 2.702 20 5 FFBDLO Cc1[nH]c(-c2cccc(NC(=O)c3ccnc(N)c3[N+](=O)[O-])c2)[nH+]c1C ZINC001583349492 1079196919 /nfs/dbraw/zinc/19/69/19/1079196919.db2.gz MAYIRLUKUMKZBC-UHFFFAOYSA-N 1 2 352.354 2.831 20 5 FFBDLO Nc1c(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001583786728 1079265331 /nfs/dbraw/zinc/26/53/31/1079265331.db2.gz HIEUUPTZCAEIBX-UHFFFAOYSA-N 1 2 367.768 2.712 20 5 FFBDLO O=C(Nc1nccnc1C1CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001585099143 1079425214 /nfs/dbraw/zinc/42/52/14/1079425214.db2.gz NPZHTCZSZTZKJI-UHFFFAOYSA-N 1 2 350.338 2.700 20 5 FFBDLO Cc1c[nH]c(C2(NC(=O)c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)CCC2)n1 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VMEHYXPQNJUKHE-AWEZNQCLSA-N 1 2 370.409 2.771 20 5 FFBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H]([C@@H](O)C(F)(F)F)C3)nc2c1 ZINC000277869190 256249742 /nfs/dbraw/zinc/24/97/42/256249742.db2.gz UQUJEVJPGSUADL-YMTOWFKASA-N 1 2 359.304 2.871 20 5 FFBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H]([C@@H](O)C(F)(F)F)C3)nc2c1 ZINC000277869190 256249744 /nfs/dbraw/zinc/24/97/44/256249744.db2.gz UQUJEVJPGSUADL-YMTOWFKASA-N 1 2 359.304 2.871 20 5 FFBDLO O=[N+]([O-])c1cccc(CCc2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000278059716 256272224 /nfs/dbraw/zinc/27/22/24/256272224.db2.gz MKVOQYGYSYDGJH-HZPDHXFCSA-N 1 2 358.398 2.689 20 5 FFBDLO O=[N+]([O-])c1cccc(CCc2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000278059716 256272225 /nfs/dbraw/zinc/27/22/25/256272225.db2.gz MKVOQYGYSYDGJH-HZPDHXFCSA-N 1 2 358.398 2.689 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](N[C@@H](CCO)c1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000286218473 257026228 /nfs/dbraw/zinc/02/62/28/257026228.db2.gz SGHBKCLJBLJOFV-RDJZCZTQSA-N 1 2 356.382 2.724 20 5 FFBDLO Cc1cc(N2CCO[C@@]3(CCCOC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000286555505 257042887 /nfs/dbraw/zinc/04/28/87/257042887.db2.gz KBVFIJSSYXFDEN-IBGZPJMESA-N 1 2 370.409 2.746 20 5 FFBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H](C(F)(F)F)[C@H](CO)C3)nc2c1 ZINC000286609236 257045397 /nfs/dbraw/zinc/04/53/97/257045397.db2.gz RMFWOAHTZISPCF-ONGXEEELSA-N 1 2 359.304 2.729 20 5 FFBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@H](C(F)(F)F)[C@H](CO)C3)nc2c1 ZINC000286609236 257045398 /nfs/dbraw/zinc/04/53/98/257045398.db2.gz RMFWOAHTZISPCF-ONGXEEELSA-N 1 2 359.304 2.729 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)c1C ZINC000289071840 257253859 /nfs/dbraw/zinc/25/38/59/257253859.db2.gz ZNGXJODYAHGWFT-CYBMUJFWSA-N 1 2 352.416 2.610 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000289633594 257291134 /nfs/dbraw/zinc/29/11/34/257291134.db2.gz SBEOMBONIZALBB-XOKHGSTOSA-N 1 2 359.426 2.955 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000289633594 257291135 /nfs/dbraw/zinc/29/11/35/257291135.db2.gz SBEOMBONIZALBB-XOKHGSTOSA-N 1 2 359.426 2.955 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1(C)C ZINC000295857685 257649774 /nfs/dbraw/zinc/64/97/74/257649774.db2.gz KLPQJPFQOPDTKW-QGZVFWFLSA-N 1 2 367.409 2.893 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)cc1 ZINC000301222525 258035102 /nfs/dbraw/zinc/03/51/02/258035102.db2.gz BGQGXGAJFXYHEZ-UHFFFAOYSA-N 1 2 368.441 2.702 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CCN(c3cc(N4CCCCC4)nc[nH+]3)CC2)cc1 ZINC000301222525 258035103 /nfs/dbraw/zinc/03/51/03/258035103.db2.gz BGQGXGAJFXYHEZ-UHFFFAOYSA-N 1 2 368.441 2.702 20 5 FFBDLO Cc1cc(NCC[N@@H+]2CCCOCC2)c(Br)cc1[N+](=O)[O-] ZINC000302703478 258108275 /nfs/dbraw/zinc/10/82/75/258108275.db2.gz VNFDDTIFVKOTST-UHFFFAOYSA-N 1 2 358.236 2.800 20 5 FFBDLO Cc1cc(NCC[N@H+]2CCCOCC2)c(Br)cc1[N+](=O)[O-] ZINC000302703478 258108276 /nfs/dbraw/zinc/10/82/76/258108276.db2.gz VNFDDTIFVKOTST-UHFFFAOYSA-N 1 2 358.236 2.800 20 5 FFBDLO CCC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000301447511 258050456 /nfs/dbraw/zinc/05/04/56/258050456.db2.gz ZTIJLNZGXWGHBX-OAHLLOKOSA-N 1 2 369.425 2.855 20 5 FFBDLO COc1cc(C[NH+]2CCN(c3ncc([N+](=O)[O-])cc3C)CC2)cc(OC)c1 ZINC000301471651 258051100 /nfs/dbraw/zinc/05/11/00/258051100.db2.gz KBNBUEOMMWAHID-UHFFFAOYSA-N 1 2 372.425 2.638 20 5 FFBDLO C[C@@H]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000332432151 258230464 /nfs/dbraw/zinc/23/04/64/258230464.db2.gz QFASPJDQOMTHGW-BZNIZROVSA-N 1 2 364.352 2.722 20 5 FFBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000331631527 258194156 /nfs/dbraw/zinc/19/41/56/258194156.db2.gz HZWBQPJKRIUXFG-LBPRGKRZSA-N 1 2 361.377 2.954 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000373073512 512159689 /nfs/dbraw/zinc/15/96/89/512159689.db2.gz DVEFQSOSKLUCKO-ZDUSSCGKSA-N 1 2 362.817 2.930 20 5 FFBDLO CCc1cc(NC[C@@H](O)C(F)(F)F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000064905705 506239486 /nfs/dbraw/zinc/23/94/86/506239486.db2.gz MTMJRJJVTZKESU-GFCCVEGCSA-N 1 2 356.304 2.949 20 5 FFBDLO O=C(NCCNc1cccc[nH+]1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000065308672 506285597 /nfs/dbraw/zinc/28/55/97/506285597.db2.gz NONYEEDOEMKACU-UHFFFAOYSA-N 1 2 369.406 2.955 20 5 FFBDLO O=C(C[N@@H+]1CC[C@]2(C1)CCCOC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000375275262 512246210 /nfs/dbraw/zinc/24/62/10/512246210.db2.gz CINQVYKXHJUPIY-INIZCTEOSA-N 1 2 353.806 2.689 20 5 FFBDLO O=C(C[N@H+]1CC[C@]2(C1)CCCOC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000375275262 512246213 /nfs/dbraw/zinc/24/62/13/512246213.db2.gz CINQVYKXHJUPIY-INIZCTEOSA-N 1 2 353.806 2.689 20 5 FFBDLO CN(C(=O)C[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)C1CCCCC1 ZINC000065969270 506403786 /nfs/dbraw/zinc/40/37/86/506403786.db2.gz ZCXYIYYVZJXYQZ-UHFFFAOYSA-N 1 2 374.485 2.504 20 5 FFBDLO CN(C(=O)CN1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)C1CCCCC1 ZINC000065969270 506403791 /nfs/dbraw/zinc/40/37/91/506403791.db2.gz ZCXYIYYVZJXYQZ-UHFFFAOYSA-N 1 2 374.485 2.504 20 5 FFBDLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000054521209 506572608 /nfs/dbraw/zinc/57/26/08/506572608.db2.gz IHFKUUIWSOXCFZ-UHFFFAOYSA-N 1 2 368.368 2.951 20 5 FFBDLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000007973597 506609197 /nfs/dbraw/zinc/60/91/97/506609197.db2.gz NOJPIEIEZHIQAY-UHFFFAOYSA-N 1 2 373.409 2.991 20 5 FFBDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000007973597 506609202 /nfs/dbraw/zinc/60/92/02/506609202.db2.gz NOJPIEIEZHIQAY-UHFFFAOYSA-N 1 2 373.409 2.991 20 5 FFBDLO COc1cccc([C@@H](NC(=O)c2csc([N+](=O)[O-])c2)c2[nH+]ccn2C)c1 ZINC000044380736 506841315 /nfs/dbraw/zinc/84/13/15/506841315.db2.gz CAHHYCOLHZEUPQ-OAHLLOKOSA-N 1 2 372.406 2.918 20 5 FFBDLO CC(C)N(C(=O)[C@@H](C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)C(C)C ZINC000014924052 507004806 /nfs/dbraw/zinc/00/48/06/507004806.db2.gz HTLSNHFPXBIFID-MRXNPFEDSA-N 1 2 362.474 2.751 20 5 FFBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000045844921 507031780 /nfs/dbraw/zinc/03/17/80/507031780.db2.gz YHGXSCSXEULFGR-UHFFFAOYSA-N 1 2 369.425 2.932 20 5 FFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000016420202 507087880 /nfs/dbraw/zinc/08/78/80/507087880.db2.gz WPMQENNTSVXRTK-CYBMUJFWSA-N 1 2 371.393 2.998 20 5 FFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000016420202 507087889 /nfs/dbraw/zinc/08/78/89/507087889.db2.gz WPMQENNTSVXRTK-CYBMUJFWSA-N 1 2 371.393 2.998 20 5 FFBDLO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000016564701 507096991 /nfs/dbraw/zinc/09/69/91/507096991.db2.gz QTQZVJLAKDUDBI-BRWVUGGUSA-N 1 2 374.485 2.610 20 5 FFBDLO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000018179699 507143456 /nfs/dbraw/zinc/14/34/56/507143456.db2.gz VVFRXRYLTYYEHV-UHFFFAOYSA-N 1 2 370.409 2.823 20 5 FFBDLO CCOc1ccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000046618724 507161213 /nfs/dbraw/zinc/16/12/13/507161213.db2.gz LEANSBFDLBANCS-UHFFFAOYSA-N 1 2 370.409 2.787 20 5 FFBDLO O=C(NCCNc1ccccc1[N+](=O)[O-])c1cccc(Cn2cc[nH+]c2)c1 ZINC000047270369 507297926 /nfs/dbraw/zinc/29/79/26/507297926.db2.gz PYROJZALVGDALO-UHFFFAOYSA-N 1 2 365.393 2.682 20 5 FFBDLO Cc1cc(N(C)CC(=O)NC(C)(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000057825701 507336679 /nfs/dbraw/zinc/33/66/79/507336679.db2.gz XYKLCUMMSFIBHW-UHFFFAOYSA-N 1 2 357.414 2.711 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC000062261668 507662255 /nfs/dbraw/zinc/66/22/55/507662255.db2.gz GTSNEECSMJIBAL-UHFFFAOYSA-N 1 2 370.409 2.919 20 5 FFBDLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1csc([N+](=O)[O-])c1 ZINC000051035560 507727597 /nfs/dbraw/zinc/72/75/97/507727597.db2.gz WKENKAIKXGFTLV-UHFFFAOYSA-N 1 2 356.407 2.874 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000029086451 507757589 /nfs/dbraw/zinc/75/75/89/507757589.db2.gz VUVWKDKMTJBJRA-GOSISDBHSA-N 1 2 368.368 2.916 20 5 FFBDLO COc1cccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)c2[nH+]ccn2C)c1 ZINC000029093095 507759146 /nfs/dbraw/zinc/75/91/46/507759146.db2.gz CYYADYKTYPLHIO-OAHLLOKOSA-N 1 2 372.406 2.918 20 5 FFBDLO Cc1cc(N2CC[NH+](CC(=O)Nc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000051649302 507779581 /nfs/dbraw/zinc/77/95/81/507779581.db2.gz DDROUXVPLSIHTR-UHFFFAOYSA-N 1 2 354.410 2.664 20 5 FFBDLO Cn1ncc2c1nc[nH+]c2SCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000031850400 507822140 /nfs/dbraw/zinc/82/21/40/507822140.db2.gz GNESTQACEIOGFI-UHFFFAOYSA-N 1 2 369.366 2.614 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000079217037 507944666 /nfs/dbraw/zinc/94/46/66/507944666.db2.gz GUTSQYFXYBQXAM-UHFFFAOYSA-N 1 2 352.354 2.806 20 5 FFBDLO C[C@@H](NC(=O)NCCc1cn2c([nH+]1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000079443722 507962615 /nfs/dbraw/zinc/96/26/15/507962615.db2.gz LROVRZJULZXZBN-CYBMUJFWSA-N 1 2 357.414 2.731 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000080917008 508111341 /nfs/dbraw/zinc/11/13/41/508111341.db2.gz KMEKNBUSOSRQNW-LBPRGKRZSA-N 1 2 359.382 2.768 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000080917008 508111345 /nfs/dbraw/zinc/11/13/45/508111345.db2.gz KMEKNBUSOSRQNW-LBPRGKRZSA-N 1 2 359.382 2.768 20 5 FFBDLO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075554291 508116656 /nfs/dbraw/zinc/11/66/56/508116656.db2.gz MLVQJYRKRJTDEU-CQSZACIVSA-N 1 2 369.425 2.938 20 5 FFBDLO CCc1nn(C)c(NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)c1[N+](=O)[O-] ZINC000094136628 508170639 /nfs/dbraw/zinc/17/06/39/508170639.db2.gz DTEFAYGPRDXGAJ-CHWSQXEVSA-N 1 2 374.445 2.511 20 5 FFBDLO COc1ccccc1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000076227679 508173068 /nfs/dbraw/zinc/17/30/68/508173068.db2.gz IKZMIBQJVCAXTC-UHFFFAOYSA-N 1 2 369.421 2.870 20 5 FFBDLO COc1ccc([C@@H](CO)[N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000112996004 508238734 /nfs/dbraw/zinc/23/87/34/508238734.db2.gz YOFDVYITJFLLAQ-GOSISDBHSA-N 1 2 373.409 2.516 20 5 FFBDLO COc1ccc([C@@H](CO)[N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000112996004 508238735 /nfs/dbraw/zinc/23/87/35/508238735.db2.gz YOFDVYITJFLLAQ-GOSISDBHSA-N 1 2 373.409 2.516 20 5 FFBDLO COc1ccc(C[NH+]2CCN(Cc3csc(C)n3)CC2)cc1[N+](=O)[O-] ZINC000076877325 508259803 /nfs/dbraw/zinc/25/98/03/508259803.db2.gz OUOCGSYXFCIVDR-UHFFFAOYSA-N 1 2 362.455 2.686 20 5 FFBDLO Cc1cccc(OCC[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000077359532 508304891 /nfs/dbraw/zinc/30/48/91/508304891.db2.gz NHUHSBMPPIMXQJ-UHFFFAOYSA-N 1 2 369.421 2.740 20 5 FFBDLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000103481685 508314711 /nfs/dbraw/zinc/31/47/11/508314711.db2.gz VVGWVCZONBHOGQ-LLVKDONJSA-N 1 2 367.402 2.574 20 5 FFBDLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000103481685 508314712 /nfs/dbraw/zinc/31/47/12/508314712.db2.gz VVGWVCZONBHOGQ-LLVKDONJSA-N 1 2 367.402 2.574 20 5 FFBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000114787164 508347454 /nfs/dbraw/zinc/34/74/54/508347454.db2.gz QSVMUMPHKUPDLE-HNNXBMFYSA-N 1 2 369.425 2.578 20 5 FFBDLO C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127195290 508413340 /nfs/dbraw/zinc/41/33/40/508413340.db2.gz ITGZFQXXEUOVAO-WFASDCNBSA-N 1 2 351.309 2.641 20 5 FFBDLO C[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127195290 508413343 /nfs/dbraw/zinc/41/33/43/508413343.db2.gz ITGZFQXXEUOVAO-WFASDCNBSA-N 1 2 351.309 2.641 20 5 FFBDLO CCN(CC)c1ccc(Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])c[nH+]1 ZINC000121904566 508445447 /nfs/dbraw/zinc/44/54/47/508445447.db2.gz PSIYYEAXUNORTD-UHFFFAOYSA-N 1 2 364.427 2.983 20 5 FFBDLO Cc1cc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)cc([N+](=O)[O-])c1 ZINC000121952235 508455506 /nfs/dbraw/zinc/45/55/06/508455506.db2.gz JOAXFYSCZJLWGN-IBGZPJMESA-N 1 2 369.421 2.707 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCc4ccccc4[C@H]3CO)o2)cc1 ZINC000133879136 508463012 /nfs/dbraw/zinc/46/30/12/508463012.db2.gz ZVVFOXYKZYHCKU-QGZVFWFLSA-N 1 2 366.377 2.737 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCc4ccccc4[C@H]3CO)o2)cc1 ZINC000133879136 508463016 /nfs/dbraw/zinc/46/30/16/508463016.db2.gz ZVVFOXYKZYHCKU-QGZVFWFLSA-N 1 2 366.377 2.737 20 5 FFBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000152550716 508468139 /nfs/dbraw/zinc/46/81/39/508468139.db2.gz QUYMKLCMKVJOAV-GFCCVEGCSA-N 1 2 358.423 2.720 20 5 FFBDLO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)[N@@H+]1CCc2sccc2C1 ZINC000127925281 508522059 /nfs/dbraw/zinc/52/20/59/508522059.db2.gz INHNSECEINXKMP-LLVKDONJSA-N 1 2 361.423 2.539 20 5 FFBDLO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)[N@H+]1CCc2sccc2C1 ZINC000127925281 508522061 /nfs/dbraw/zinc/52/20/61/508522061.db2.gz INHNSECEINXKMP-LLVKDONJSA-N 1 2 361.423 2.539 20 5 FFBDLO C[C@@H](NC(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccc(F)cc1 ZINC000153033065 508541776 /nfs/dbraw/zinc/54/17/76/508541776.db2.gz NVUSHIQYNJPVAE-CYBMUJFWSA-N 1 2 357.385 2.969 20 5 FFBDLO C[C@@H](NC(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccc(F)cc1 ZINC000153033065 508541780 /nfs/dbraw/zinc/54/17/80/508541780.db2.gz NVUSHIQYNJPVAE-CYBMUJFWSA-N 1 2 357.385 2.969 20 5 FFBDLO C[C@H](C(=O)NC(=O)Nc1ccccc1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153357803 508575361 /nfs/dbraw/zinc/57/53/61/508575361.db2.gz IMEKUUJVMVTONS-CYBMUJFWSA-N 1 2 368.393 2.690 20 5 FFBDLO C[C@H](C(=O)NC(=O)Nc1ccccc1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153357803 508575363 /nfs/dbraw/zinc/57/53/63/508575363.db2.gz IMEKUUJVMVTONS-CYBMUJFWSA-N 1 2 368.393 2.690 20 5 FFBDLO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000157799721 508614154 /nfs/dbraw/zinc/61/41/54/508614154.db2.gz WEOHMPFMLAJUBR-INIZCTEOSA-N 1 2 369.421 2.595 20 5 FFBDLO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000157799721 508614157 /nfs/dbraw/zinc/61/41/57/508614157.db2.gz WEOHMPFMLAJUBR-INIZCTEOSA-N 1 2 369.421 2.595 20 5 FFBDLO O=C(CC[N@@H+]1CCO[C@H](c2ccco2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128872798 508654374 /nfs/dbraw/zinc/65/43/74/508654374.db2.gz BLFOARFIUIOAOL-INIZCTEOSA-N 1 2 363.345 2.729 20 5 FFBDLO O=C(CC[N@H+]1CCO[C@H](c2ccco2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128872798 508654377 /nfs/dbraw/zinc/65/43/77/508654377.db2.gz BLFOARFIUIOAOL-INIZCTEOSA-N 1 2 363.345 2.729 20 5 FFBDLO CCc1ccccc1NC(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866576 508688409 /nfs/dbraw/zinc/68/84/09/508688409.db2.gz CIKZRRNGYMBEAP-HNNXBMFYSA-N 1 2 369.425 2.677 20 5 FFBDLO CCc1ccccc1NC(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866576 508688413 /nfs/dbraw/zinc/68/84/13/508688413.db2.gz CIKZRRNGYMBEAP-HNNXBMFYSA-N 1 2 369.425 2.677 20 5 FFBDLO Cc1[nH+]c2ccccn2c1Cn1cc(Br)cc([N+](=O)[O-])c1=O ZINC000158365341 508694171 /nfs/dbraw/zinc/69/41/71/508694171.db2.gz OCYDTKRGIZPSCG-UHFFFAOYSA-N 1 2 363.171 2.523 20 5 FFBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](Oc3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000154073880 508711923 /nfs/dbraw/zinc/71/19/23/508711923.db2.gz WNVPWLPUKDIDCY-ZBFHGGJFSA-N 1 2 370.409 2.779 20 5 FFBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](Oc3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000154073880 508711926 /nfs/dbraw/zinc/71/19/26/508711926.db2.gz WNVPWLPUKDIDCY-ZBFHGGJFSA-N 1 2 370.409 2.779 20 5 FFBDLO CC(C)Cn1ccnc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000150088407 508875301 /nfs/dbraw/zinc/87/53/01/508875301.db2.gz CXKSHDPXZNXWOV-UHFFFAOYSA-N 1 2 354.370 2.885 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](OCC(C)C)C2)c([N+](=O)[O-])c1 ZINC000120102425 508928932 /nfs/dbraw/zinc/92/89/32/508928932.db2.gz OOUSCZZCMXIANX-ZFWWWQNUSA-N 1 2 365.430 2.677 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](OCC(C)C)C2)c([N+](=O)[O-])c1 ZINC000120102425 508928934 /nfs/dbraw/zinc/92/89/34/508928934.db2.gz OOUSCZZCMXIANX-ZFWWWQNUSA-N 1 2 365.430 2.677 20 5 FFBDLO CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1C ZINC000131426773 508930000 /nfs/dbraw/zinc/93/00/00/508930000.db2.gz NCMMPBVIDSQOJM-UHFFFAOYSA-N 1 2 355.394 2.983 20 5 FFBDLO CC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1C ZINC000131426773 508930003 /nfs/dbraw/zinc/93/00/03/508930003.db2.gz NCMMPBVIDSQOJM-UHFFFAOYSA-N 1 2 355.394 2.983 20 5 FFBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000155278547 508964657 /nfs/dbraw/zinc/96/46/57/508964657.db2.gz BSNWMBCQXIMPRP-UHFFFAOYSA-N 1 2 360.345 2.526 20 5 FFBDLO CCc1cc(NCC(C)(C)C(=O)NC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000161073053 509067554 /nfs/dbraw/zinc/06/75/54/509067554.db2.gz FXPPHRCAOWRBCO-UHFFFAOYSA-N 1 2 357.414 2.798 20 5 FFBDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000161165015 509080192 /nfs/dbraw/zinc/08/01/92/509080192.db2.gz FZLQGPPQLGJDSC-CYBMUJFWSA-N 1 2 358.398 2.848 20 5 FFBDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000161165015 509080194 /nfs/dbraw/zinc/08/01/94/509080194.db2.gz FZLQGPPQLGJDSC-CYBMUJFWSA-N 1 2 358.398 2.848 20 5 FFBDLO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000121126610 509134188 /nfs/dbraw/zinc/13/41/88/509134188.db2.gz UOIHDCLWBFEUOK-AWEZNQCLSA-N 1 2 352.350 2.765 20 5 FFBDLO Cc1ccc(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000156321796 509159848 /nfs/dbraw/zinc/15/98/48/509159848.db2.gz CCMUIYKDBXQLNU-INIZCTEOSA-N 1 2 362.430 2.622 20 5 FFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2cccs2)CC1 ZINC000121310116 509165116 /nfs/dbraw/zinc/16/51/16/509165116.db2.gz LGNCMXLWOOWIHE-CYBMUJFWSA-N 1 2 360.439 2.806 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c(Cl)c1 ZINC000121401897 509172165 /nfs/dbraw/zinc/17/21/65/509172165.db2.gz JHCPCOHMZMRSAT-GFCCVEGCSA-N 1 2 370.818 2.887 20 5 FFBDLO O=C(Cc1cccc([N+](=O)[O-])c1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000172819075 509254166 /nfs/dbraw/zinc/25/41/66/509254166.db2.gz RNLFMMSPWIKFRT-UHFFFAOYSA-N 1 2 350.378 2.699 20 5 FFBDLO CCc1cc(N(C)[C@H](C)C[S@@](C)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000248450801 509328371 /nfs/dbraw/zinc/32/83/71/509328371.db2.gz FTOQQUSLWYUCJB-XELLLNAOSA-N 1 2 362.455 2.817 20 5 FFBDLO Cn1c(=O)c2ccc([N+](=O)[O-])cc2nc1SCc1c[nH+]c2ccccn12 ZINC000185739293 509332055 /nfs/dbraw/zinc/33/20/55/509332055.db2.gz HEEKEOAUJCPGBC-UHFFFAOYSA-N 1 2 367.390 2.782 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000264224873 509394199 /nfs/dbraw/zinc/39/41/99/509394199.db2.gz WQJOTCINMGGOGP-AWEZNQCLSA-N 1 2 370.471 2.639 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000264224873 509394208 /nfs/dbraw/zinc/39/42/08/509394208.db2.gz WQJOTCINMGGOGP-AWEZNQCLSA-N 1 2 370.471 2.639 20 5 FFBDLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000248905162 509537543 /nfs/dbraw/zinc/53/75/43/509537543.db2.gz UULJPSMVWTWOMK-CZUORRHYSA-N 1 2 355.394 2.551 20 5 FFBDLO C[N@H+](CC(=O)Nc1ccnn1C1CCCC1)Cc1ccccc1[N+](=O)[O-] ZINC000192637549 509574520 /nfs/dbraw/zinc/57/45/20/509574520.db2.gz IWEJKFJINOQSQF-UHFFFAOYSA-N 1 2 357.414 2.977 20 5 FFBDLO C[N@@H+](CC(=O)Nc1ccnn1C1CCCC1)Cc1ccccc1[N+](=O)[O-] ZINC000192637549 509574526 /nfs/dbraw/zinc/57/45/26/509574526.db2.gz IWEJKFJINOQSQF-UHFFFAOYSA-N 1 2 357.414 2.977 20 5 FFBDLO C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000189510414 509610432 /nfs/dbraw/zinc/61/04/32/509610432.db2.gz FROOFUSCVFKVHA-MLGOLLRUSA-N 1 2 350.806 2.907 20 5 FFBDLO C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000189510414 509610440 /nfs/dbraw/zinc/61/04/40/509610440.db2.gz FROOFUSCVFKVHA-MLGOLLRUSA-N 1 2 350.806 2.907 20 5 FFBDLO O=C(c1cc(N2CCC(n3cc[nH+]c3)CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000264951224 509792138 /nfs/dbraw/zinc/79/21/38/509792138.db2.gz VNTUBEPXVCEDFN-UHFFFAOYSA-N 1 2 369.425 2.869 20 5 FFBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCCN(CC(F)(F)F)CC3)nc2c1 ZINC000177096116 509870456 /nfs/dbraw/zinc/87/04/56/509870456.db2.gz NSXDKOLNFKHMGE-UHFFFAOYSA-N 1 2 358.320 2.806 20 5 FFBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCCN(CC(F)(F)F)CC3)nc2c1 ZINC000177096116 509870461 /nfs/dbraw/zinc/87/04/61/509870461.db2.gz NSXDKOLNFKHMGE-UHFFFAOYSA-N 1 2 358.320 2.806 20 5 FFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000177182901 509922088 /nfs/dbraw/zinc/92/20/88/509922088.db2.gz IQIGUOGHOXXUSM-AWEZNQCLSA-N 1 2 355.394 2.819 20 5 FFBDLO O=C(NCc1ccco1)[C@@H]1CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255660795 509932064 /nfs/dbraw/zinc/93/20/64/509932064.db2.gz CCVKMLVLCNXQFB-BHSUKZTGSA-N 1 2 355.394 2.982 20 5 FFBDLO O=C(NCc1ccco1)[C@@H]1CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255660795 509932067 /nfs/dbraw/zinc/93/20/67/509932067.db2.gz CCVKMLVLCNXQFB-BHSUKZTGSA-N 1 2 355.394 2.982 20 5 FFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCc3ccccc3[C@@H]2CO)c2c(c1)COCO2 ZINC000268494286 509966579 /nfs/dbraw/zinc/96/65/79/509966579.db2.gz PQWMQZNFVUWKLP-SFHVURJKSA-N 1 2 356.378 2.553 20 5 FFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCc3ccccc3[C@@H]2CO)c2c(c1)COCO2 ZINC000268494286 509966583 /nfs/dbraw/zinc/96/65/83/509966583.db2.gz PQWMQZNFVUWKLP-SFHVURJKSA-N 1 2 356.378 2.553 20 5 FFBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265325463 509992608 /nfs/dbraw/zinc/99/26/08/509992608.db2.gz SNRCYQRKDZOEOO-YXMGTMDOSA-N 1 2 366.421 2.908 20 5 FFBDLO Cc1nn(C)c(C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)c1[N+](=O)[O-] ZINC000194087633 510208552 /nfs/dbraw/zinc/20/85/52/510208552.db2.gz GGOBIYGYHOINFC-UHFFFAOYSA-N 1 2 368.397 2.965 20 5 FFBDLO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1C[NH+]1CCOCC1 ZINC000265749975 510208975 /nfs/dbraw/zinc/20/89/75/510208975.db2.gz FELVBMVWHHLAKL-UHFFFAOYSA-N 1 2 359.357 2.818 20 5 FFBDLO O=C(c1ccccc1C[NH+]1CCOCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000265792625 510231873 /nfs/dbraw/zinc/23/18/73/510231873.db2.gz OMMYGMVXATXXFT-UHFFFAOYSA-N 1 2 367.405 2.630 20 5 FFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000194234242 510272428 /nfs/dbraw/zinc/27/24/28/510272428.db2.gz SZSRGNXSTDDLNB-UHFFFAOYSA-N 1 2 367.365 2.826 20 5 FFBDLO O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000194322635 510312305 /nfs/dbraw/zinc/31/23/05/510312305.db2.gz KAIKDDNVCGIZBS-UHFFFAOYSA-N 1 2 368.397 2.896 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000194369293 510331185 /nfs/dbraw/zinc/33/11/85/510331185.db2.gz PXBPYJZLAZBTFR-UHFFFAOYSA-N 1 2 355.394 2.988 20 5 FFBDLO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccco1 ZINC000184579474 510398680 /nfs/dbraw/zinc/39/86/80/510398680.db2.gz IWMLENBHNAPWSN-SMDDNHRTSA-N 1 2 363.370 2.501 20 5 FFBDLO COC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000184606199 510413802 /nfs/dbraw/zinc/41/38/02/510413802.db2.gz YEUCTPPYSYIRHO-LBPRGKRZSA-N 1 2 353.762 2.757 20 5 FFBDLO CCc1ccc([C@H](COC)[NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)o1 ZINC000184820990 510530162 /nfs/dbraw/zinc/53/01/62/510530162.db2.gz DKMNDHIOVLFSRG-INIZCTEOSA-N 1 2 373.409 2.617 20 5 FFBDLO CO[C@@H](C)c1noc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000175281400 510568253 /nfs/dbraw/zinc/56/82/53/510568253.db2.gz FFFIXPOGBDQPLF-LBPRGKRZSA-N 1 2 362.386 2.729 20 5 FFBDLO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc(C(C)(C)C)no1 ZINC000185162047 510722172 /nfs/dbraw/zinc/72/21/72/510722172.db2.gz ZYBOCRIQDLJXOU-NSHDSACASA-N 1 2 361.402 2.955 20 5 FFBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[NH+](Cc2ccco2)CC1 ZINC000270223322 510722667 /nfs/dbraw/zinc/72/26/67/510722667.db2.gz HZRSOXYKNTXAJC-UHFFFAOYSA-N 1 2 368.393 2.556 20 5 FFBDLO Nc1c(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000175712885 510749175 /nfs/dbraw/zinc/74/91/75/510749175.db2.gz YMDSDQXZPZLVNK-VMPITWQZSA-N 1 2 366.421 2.648 20 5 FFBDLO Cc1cc(N[C@H](C)CN2CCCC2=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000195303799 510774199 /nfs/dbraw/zinc/77/41/99/510774199.db2.gz LKXNPKFXJIHJOG-CYBMUJFWSA-N 1 2 355.398 2.783 20 5 FFBDLO COC(=O)C[C@H]1C[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)CCO1 ZINC000178812554 510786059 /nfs/dbraw/zinc/78/60/59/510786059.db2.gz GUVYZFWBBDBNHN-INIZCTEOSA-N 1 2 367.401 2.710 20 5 FFBDLO COC(=O)C[C@H]1C[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)CCO1 ZINC000178812554 510786069 /nfs/dbraw/zinc/78/60/69/510786069.db2.gz GUVYZFWBBDBNHN-INIZCTEOSA-N 1 2 367.401 2.710 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178834383 510796546 /nfs/dbraw/zinc/79/65/46/510796546.db2.gz RUUCMTFHHDCULA-STQMWFEESA-N 1 2 363.414 2.585 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178834383 510796554 /nfs/dbraw/zinc/79/65/54/510796554.db2.gz RUUCMTFHHDCULA-STQMWFEESA-N 1 2 363.414 2.585 20 5 FFBDLO CC[C@](C)([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000182184279 510800510 /nfs/dbraw/zinc/80/05/10/510800510.db2.gz CSDFTQLZLSKBGT-HNNXBMFYSA-N 1 2 369.468 2.740 20 5 FFBDLO CCc1cc(NCCc2nc(C)no2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000263723773 510811312 /nfs/dbraw/zinc/81/13/12/510811312.db2.gz OZFUYVXCPSGOBS-UHFFFAOYSA-N 1 2 354.370 2.960 20 5 FFBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000185380288 510828496 /nfs/dbraw/zinc/82/84/96/510828496.db2.gz MIYVIWCNWLZJPI-GFCCVEGCSA-N 1 2 360.439 2.758 20 5 FFBDLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000285634404 510987592 /nfs/dbraw/zinc/98/75/92/510987592.db2.gz AIIAOIWYNLBBPS-AWEZNQCLSA-N 1 2 362.304 2.531 20 5 FFBDLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000285634404 510987595 /nfs/dbraw/zinc/98/75/95/510987595.db2.gz AIIAOIWYNLBBPS-AWEZNQCLSA-N 1 2 362.304 2.531 20 5 FFBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000285668447 511002435 /nfs/dbraw/zinc/00/24/35/511002435.db2.gz MMYTZXVJKGBABL-WCQYABFASA-N 1 2 368.821 2.575 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H]1[C@H]1CCCC1=O ZINC000270890646 511016741 /nfs/dbraw/zinc/01/67/41/511016741.db2.gz DLHOHPQNPDUXEM-HUUCEWRRSA-N 1 2 368.393 2.754 20 5 FFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298036660 511152091 /nfs/dbraw/zinc/15/20/91/511152091.db2.gz GTXZJOZJWNKQRP-ZDUSSCGKSA-N 1 2 357.370 2.781 20 5 FFBDLO Cc1[nH]c(-c2cccc(NC(=O)c3cc([N+](=O)[O-])cnc3N)c2)[nH+]c1C ZINC000364966354 511180730 /nfs/dbraw/zinc/18/07/30/511180730.db2.gz AWJFMOVGAWQWIX-UHFFFAOYSA-N 1 2 352.354 2.831 20 5 FFBDLO Cc1ccc[nH+]c1CCCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000295040357 511261276 /nfs/dbraw/zinc/26/12/76/511261276.db2.gz SRLGDMJHUWCLEV-UHFFFAOYSA-N 1 2 355.441 2.808 20 5 FFBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCn2c[nH+]cc2C1 ZINC000291793160 511340770 /nfs/dbraw/zinc/34/07/70/511340770.db2.gz AYRYVSPVDIYVPF-UHFFFAOYSA-N 1 2 352.803 2.579 20 5 FFBDLO Cc1nc(N2CCN(c3c4ccccc4ncc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000291927629 511394957 /nfs/dbraw/zinc/39/49/57/511394957.db2.gz LWSFNVXNPSISKD-UHFFFAOYSA-N 1 2 350.382 2.568 20 5 FFBDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H](C)O1 ZINC000298955311 511463964 /nfs/dbraw/zinc/46/39/64/511463964.db2.gz JCRZNPDUHZXLKX-CHWSQXEVSA-N 1 2 358.398 2.784 20 5 FFBDLO CCC(=O)c1ccc(NC[C@@H](C)C[NH+]2CCN(CC)CC2)c([N+](=O)[O-])c1 ZINC000280631915 511540440 /nfs/dbraw/zinc/54/04/40/511540440.db2.gz CKHYYJQEFACTQR-OAHLLOKOSA-N 1 2 362.474 2.873 20 5 FFBDLO CO[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000295933824 511560652 /nfs/dbraw/zinc/56/06/52/511560652.db2.gz IKVGOSNPEGEMTO-CQSZACIVSA-N 1 2 355.822 2.934 20 5 FFBDLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000295933824 511560655 /nfs/dbraw/zinc/56/06/55/511560655.db2.gz IKVGOSNPEGEMTO-CQSZACIVSA-N 1 2 355.822 2.934 20 5 FFBDLO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000280824666 511617397 /nfs/dbraw/zinc/61/73/97/511617397.db2.gz SQJWCCMRGLCDDS-INIZCTEOSA-N 1 2 355.394 2.867 20 5 FFBDLO CN1CCO[C@@H]2CC[N@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@H]21 ZINC000284208946 511642254 /nfs/dbraw/zinc/64/22/54/511642254.db2.gz CCHXBFMBVMFXRP-IAGOWNOFSA-N 1 2 374.466 2.623 20 5 FFBDLO CN1CCO[C@@H]2CC[N@@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@H]21 ZINC000284208946 511642255 /nfs/dbraw/zinc/64/22/55/511642255.db2.gz CCHXBFMBVMFXRP-IAGOWNOFSA-N 1 2 374.466 2.623 20 5 FFBDLO C[N@@H+]1CCO[C@@H]2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@H]21 ZINC000284208946 511642257 /nfs/dbraw/zinc/64/22/57/511642257.db2.gz CCHXBFMBVMFXRP-IAGOWNOFSA-N 1 2 374.466 2.623 20 5 FFBDLO C[N@H+]1CCO[C@@H]2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@H]21 ZINC000284208946 511642261 /nfs/dbraw/zinc/64/22/61/511642261.db2.gz CCHXBFMBVMFXRP-IAGOWNOFSA-N 1 2 374.466 2.623 20 5 FFBDLO C[S@](=O)C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000284280351 511667072 /nfs/dbraw/zinc/66/70/72/511667072.db2.gz XXTOBWJHWPGWLX-BZQUYTCOSA-N 1 2 363.395 2.712 20 5 FFBDLO Cn1cc(CC[N@@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cn1 ZINC000284329853 511685677 /nfs/dbraw/zinc/68/56/77/511685677.db2.gz BLTFFAHAZMZRCZ-UHFFFAOYSA-N 1 2 365.231 2.692 20 5 FFBDLO Cn1cc(CC[N@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cn1 ZINC000284329853 511685682 /nfs/dbraw/zinc/68/56/82/511685682.db2.gz BLTFFAHAZMZRCZ-UHFFFAOYSA-N 1 2 365.231 2.692 20 5 FFBDLO CCC(=O)c1ccc(N2CCN(c3cc[nH+]c(C)n3)CC2)c([N+](=O)[O-])c1 ZINC000281529793 511880454 /nfs/dbraw/zinc/88/04/54/511880454.db2.gz RAXVLRYGWFJTSD-UHFFFAOYSA-N 1 2 355.398 2.613 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCOC[C@@H]3[C@H]3CCC[C@@H]3O)co2)cc1 ZINC000284861432 511902439 /nfs/dbraw/zinc/90/24/39/511902439.db2.gz QWKASBMYWVSSOI-KURKYZTESA-N 1 2 373.409 2.612 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCOC[C@@H]3[C@H]3CCC[C@@H]3O)co2)cc1 ZINC000284861432 511902442 /nfs/dbraw/zinc/90/24/42/511902442.db2.gz QWKASBMYWVSSOI-KURKYZTESA-N 1 2 373.409 2.612 20 5 FFBDLO CCc1nocc1C[N@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000293276555 511905525 /nfs/dbraw/zinc/90/55/25/511905525.db2.gz CIJACGAQUAQDGL-NSHDSACASA-N 1 2 362.386 2.613 20 5 FFBDLO CCc1nocc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000293276555 511905526 /nfs/dbraw/zinc/90/55/26/511905526.db2.gz CIJACGAQUAQDGL-NSHDSACASA-N 1 2 362.386 2.613 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000275325744 512104175 /nfs/dbraw/zinc/10/41/75/512104175.db2.gz QLYFPXAEKKAKBU-BLLLJJGKSA-N 1 2 359.386 2.679 20 5 FFBDLO COc1cc(C[N@@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c([N+](=O)[O-])cc1F ZINC000369555332 512476060 /nfs/dbraw/zinc/47/60/60/512476060.db2.gz BIOYJAILOHOGFY-PXAZEXFGSA-N 1 2 354.378 2.512 20 5 FFBDLO COc1cc(C[N@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c([N+](=O)[O-])cc1F ZINC000369555332 512476062 /nfs/dbraw/zinc/47/60/62/512476062.db2.gz BIOYJAILOHOGFY-PXAZEXFGSA-N 1 2 354.378 2.512 20 5 FFBDLO O=C(c1cc2ccccc2c2cccnc12)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000378111557 512595805 /nfs/dbraw/zinc/59/58/05/512595805.db2.gz DYTRXPWCQBKNOX-QGZVFWFLSA-N 1 2 361.445 2.935 20 5 FFBDLO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000376157829 512687230 /nfs/dbraw/zinc/68/72/30/512687230.db2.gz MESKMJAKSXPPBA-CYBMUJFWSA-N 1 2 370.409 2.651 20 5 FFBDLO Cc1cn2c([nH+]1)[C@@H](CNc1c(Br)cncc1[N+](=O)[O-])CCC2 ZINC000378338667 512702893 /nfs/dbraw/zinc/70/28/93/512702893.db2.gz WBZQAYLHWBUTJQ-SNVBAGLBSA-N 1 2 366.219 2.669 20 5 FFBDLO Cc1cn2c(n1)C[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC2 ZINC000378628794 512857012 /nfs/dbraw/zinc/85/70/12/512857012.db2.gz CAZKPZJMGVMDTG-UHFFFAOYSA-N 1 2 352.398 2.516 20 5 FFBDLO Cc1cn2c(n1)C[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC2 ZINC000378628794 512857017 /nfs/dbraw/zinc/85/70/17/512857017.db2.gz CAZKPZJMGVMDTG-UHFFFAOYSA-N 1 2 352.398 2.516 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411938964 512881030 /nfs/dbraw/zinc/88/10/30/512881030.db2.gz KEDIMRWYIVQSDE-SJLPKXTDSA-N 1 2 355.394 2.650 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411938964 512881033 /nfs/dbraw/zinc/88/10/33/512881033.db2.gz KEDIMRWYIVQSDE-SJLPKXTDSA-N 1 2 355.394 2.650 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1[C@H](C(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21 ZINC000372487883 512900775 /nfs/dbraw/zinc/90/07/75/512900775.db2.gz UTPUFIMEXZERDI-IHRRRGAJSA-N 1 2 364.446 2.803 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1[C@H](C(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21 ZINC000372487883 512900781 /nfs/dbraw/zinc/90/07/81/512900781.db2.gz UTPUFIMEXZERDI-IHRRRGAJSA-N 1 2 364.446 2.803 20 5 FFBDLO CNC(=O)NC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000412055260 512934427 /nfs/dbraw/zinc/93/44/27/512934427.db2.gz OOZAAACVILZFDC-UHFFFAOYSA-N 1 2 360.336 2.507 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370588340 513005792 /nfs/dbraw/zinc/00/57/92/513005792.db2.gz KHFQAYTYJOHLLS-ZDUSSCGKSA-N 1 2 355.398 2.542 20 5 FFBDLO C[C@@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000434133840 513245507 /nfs/dbraw/zinc/24/55/07/513245507.db2.gz FNDOKBXDGOBFBV-CXAGYDPISA-N 1 2 356.382 2.914 20 5 FFBDLO Cc1cc[nH+]cc1N1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000421539464 513300929 /nfs/dbraw/zinc/30/09/29/513300929.db2.gz IVWQINXLTJXMKN-UHFFFAOYSA-N 1 2 354.410 2.877 20 5 FFBDLO CCOc1cc(C(=O)NCc2cc(C)[nH+]c(C)c2)c([N+](=O)[O-])cc1OC ZINC000421554438 513306244 /nfs/dbraw/zinc/30/62/44/513306244.db2.gz GJVFJDGMPLBQSF-UHFFFAOYSA-N 1 2 359.382 2.944 20 5 FFBDLO O=[N+]([O-])c1ccc([C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cc1 ZINC000450750916 513324370 /nfs/dbraw/zinc/32/43/70/513324370.db2.gz DBGLNXPKEHOVRZ-INIZCTEOSA-N 1 2 369.425 2.605 20 5 FFBDLO O=[N+]([O-])c1ccc([C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1 ZINC000450750916 513324378 /nfs/dbraw/zinc/32/43/78/513324378.db2.gz DBGLNXPKEHOVRZ-INIZCTEOSA-N 1 2 369.425 2.605 20 5 FFBDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000429371268 513355570 /nfs/dbraw/zinc/35/55/70/513355570.db2.gz YFXQABCBUZXQFE-GASCZTMLSA-N 1 2 363.458 2.941 20 5 FFBDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000429371268 513355576 /nfs/dbraw/zinc/35/55/76/513355576.db2.gz YFXQABCBUZXQFE-GASCZTMLSA-N 1 2 363.458 2.941 20 5 FFBDLO CC(C)(C(=O)NCCc1cn2ccccc2[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000429828910 513475461 /nfs/dbraw/zinc/47/54/61/513475461.db2.gz NIPVJGWNLLTIDV-UHFFFAOYSA-N 1 2 352.394 2.879 20 5 FFBDLO CC(C)(C(=O)N1CC[NH+](Cc2cccnc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000429929902 513501621 /nfs/dbraw/zinc/50/16/21/513501621.db2.gz RHHFJGABXUBDSR-UHFFFAOYSA-N 1 2 368.437 2.612 20 5 FFBDLO Cc1ncsc1CN(C)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447801367 513573758 /nfs/dbraw/zinc/57/37/58/513573758.db2.gz BXFAFBIJJUAXKS-UHFFFAOYSA-N 1 2 362.455 2.828 20 5 FFBDLO CC(C)(C)C[C@@H](O)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447813991 513578254 /nfs/dbraw/zinc/57/82/54/513578254.db2.gz VKQYYLDPLZKTIV-OAHLLOKOSA-N 1 2 351.447 2.636 20 5 FFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000425468168 513582598 /nfs/dbraw/zinc/58/25/98/513582598.db2.gz CTPBZXRKZAENFI-GFCCVEGCSA-N 1 2 351.147 2.559 20 5 FFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000425468168 513582609 /nfs/dbraw/zinc/58/26/09/513582609.db2.gz CTPBZXRKZAENFI-GFCCVEGCSA-N 1 2 351.147 2.559 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000430195026 513585744 /nfs/dbraw/zinc/58/57/44/513585744.db2.gz MIAIYOCIHBWLSY-QGZVFWFLSA-N 1 2 355.394 2.841 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000430195026 513585745 /nfs/dbraw/zinc/58/57/45/513585745.db2.gz MIAIYOCIHBWLSY-QGZVFWFLSA-N 1 2 355.394 2.841 20 5 FFBDLO C[C@H](O)C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000447840323 513593523 /nfs/dbraw/zinc/59/35/23/513593523.db2.gz RCZAIAVGFDHZKP-RYUDHWBXSA-N 1 2 355.822 2.812 20 5 FFBDLO C[C@H](O)C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000447840323 513593529 /nfs/dbraw/zinc/59/35/29/513593529.db2.gz RCZAIAVGFDHZKP-RYUDHWBXSA-N 1 2 355.822 2.812 20 5 FFBDLO O=C(NC[C@@H](CO)CC1CCCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451428090 513744949 /nfs/dbraw/zinc/74/49/49/513744949.db2.gz JZJQZXACRBGWAG-HNNXBMFYSA-N 1 2 372.425 2.699 20 5 FFBDLO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c(C)cc1[N+](=O)[O-] ZINC000416422814 513765443 /nfs/dbraw/zinc/76/54/43/513765443.db2.gz OXJOKAVURJUKCS-CYBMUJFWSA-N 1 2 364.427 2.851 20 5 FFBDLO Cn1cc[nH+]c1CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000436313811 513823685 /nfs/dbraw/zinc/82/36/85/513823685.db2.gz CKUGVVNRVWLDFC-UHFFFAOYSA-N 1 2 368.343 2.623 20 5 FFBDLO CCO[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000451552135 513828158 /nfs/dbraw/zinc/82/81/58/513828158.db2.gz YFWCMGPZTAODCY-IAQYHMDHSA-N 1 2 355.822 2.934 20 5 FFBDLO CCO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000451552135 513828167 /nfs/dbraw/zinc/82/81/67/513828167.db2.gz YFWCMGPZTAODCY-IAQYHMDHSA-N 1 2 355.822 2.934 20 5 FFBDLO CO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000451574688 513844208 /nfs/dbraw/zinc/84/42/08/513844208.db2.gz RVBFWCYBCYCRCH-JRPNMDOOSA-N 1 2 355.822 2.932 20 5 FFBDLO CO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000451574688 513844217 /nfs/dbraw/zinc/84/42/17/513844217.db2.gz RVBFWCYBCYCRCH-JRPNMDOOSA-N 1 2 355.822 2.932 20 5 FFBDLO COc1ccc(CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)nc1 ZINC000436450076 513857428 /nfs/dbraw/zinc/85/74/28/513857428.db2.gz HUTJMPWBFAYTEM-UHFFFAOYSA-N 1 2 351.366 2.798 20 5 FFBDLO CC[C@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1[nH]cc[nH+]1 ZINC000443120600 513877691 /nfs/dbraw/zinc/87/76/91/513877691.db2.gz UNBGRTSNNIZAPJ-LBPRGKRZSA-N 1 2 355.354 2.512 20 5 FFBDLO NC(=O)CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCOc2ccccc21 ZINC000451716053 513934367 /nfs/dbraw/zinc/93/43/67/513934367.db2.gz RJIACDNTGKOZHK-MRXNPFEDSA-N 1 2 373.384 2.935 20 5 FFBDLO NC(=O)CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCOc2ccccc21 ZINC000451716053 513934373 /nfs/dbraw/zinc/93/43/73/513934373.db2.gz RJIACDNTGKOZHK-MRXNPFEDSA-N 1 2 373.384 2.935 20 5 FFBDLO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1O ZINC000436872642 514017034 /nfs/dbraw/zinc/01/70/34/514017034.db2.gz UTDLBNDLRMWOJN-HNNXBMFYSA-N 1 2 359.382 2.850 20 5 FFBDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000451931706 514080065 /nfs/dbraw/zinc/08/00/65/514080065.db2.gz LYHIHKYEDPQKSJ-JTQLQIEISA-N 1 2 372.834 2.813 20 5 FFBDLO O=C(NCc1[nH]cc[nH+]1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444015583 514100655 /nfs/dbraw/zinc/10/06/55/514100655.db2.gz UZWJETLHGCZWST-UHFFFAOYSA-N 1 2 354.316 2.613 20 5 FFBDLO COc1cc[nH+]cc1CNC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000432120629 514100736 /nfs/dbraw/zinc/10/07/36/514100736.db2.gz RCVOVNQJFFDAPQ-UHFFFAOYSA-N 1 2 373.413 2.608 20 5 FFBDLO CCc1cc(N(C)C[C@@H](C)C(=O)OC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000432156338 514111965 /nfs/dbraw/zinc/11/19/65/514111965.db2.gz IBMFEZQUOGGNKJ-GFCCVEGCSA-N 1 2 358.398 2.860 20 5 FFBDLO CCOc1cccc(C[N@H+](CCO)Cc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000452050014 514162298 /nfs/dbraw/zinc/16/22/98/514162298.db2.gz UDAQATCHMDUHOK-UHFFFAOYSA-N 1 2 360.410 2.997 20 5 FFBDLO CCOc1cccc(C[N@@H+](CCO)Cc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000452050014 514162307 /nfs/dbraw/zinc/16/23/07/514162307.db2.gz UDAQATCHMDUHOK-UHFFFAOYSA-N 1 2 360.410 2.997 20 5 FFBDLO COc1cc(C)ccc1C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000449344006 514175908 /nfs/dbraw/zinc/17/59/08/514175908.db2.gz OWGFVSDHKDKLPJ-UHFFFAOYSA-N 1 2 369.421 2.870 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CC[C@@](O)(C(F)F)C3)cs2)c1 ZINC000449465573 514219812 /nfs/dbraw/zinc/21/98/12/514219812.db2.gz DUXWQPZWASNCCE-HNNXBMFYSA-N 1 2 355.366 2.920 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@@](O)(C(F)F)C3)cs2)c1 ZINC000449465573 514219816 /nfs/dbraw/zinc/21/98/16/514219816.db2.gz DUXWQPZWASNCCE-HNNXBMFYSA-N 1 2 355.366 2.920 20 5 FFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCC[C@@H]1CS(C)(=O)=O ZINC000449547700 514247810 /nfs/dbraw/zinc/24/78/10/514247810.db2.gz YJKDXPODKIPUKG-OOXMNIKJSA-N 1 2 352.456 2.897 20 5 FFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCC[C@@H]1CS(C)(=O)=O ZINC000449547700 514247818 /nfs/dbraw/zinc/24/78/18/514247818.db2.gz YJKDXPODKIPUKG-OOXMNIKJSA-N 1 2 352.456 2.897 20 5 FFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCC[C@@H]1CS(C)(=O)=O ZINC000449547699 514248223 /nfs/dbraw/zinc/24/82/23/514248223.db2.gz YJKDXPODKIPUKG-IDKBZEPQSA-N 1 2 352.456 2.897 20 5 FFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCC[C@@H]1CS(C)(=O)=O ZINC000449547699 514248230 /nfs/dbraw/zinc/24/82/30/514248230.db2.gz YJKDXPODKIPUKG-IDKBZEPQSA-N 1 2 352.456 2.897 20 5 FFBDLO NC(=O)C[N@H+](CCC1CCCCC1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444613117 514273987 /nfs/dbraw/zinc/27/39/87/514273987.db2.gz TXCOYAOQWPESLB-UHFFFAOYSA-N 1 2 359.430 2.729 20 5 FFBDLO NC(=O)C[N@@H+](CCC1CCCCC1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444613117 514273995 /nfs/dbraw/zinc/27/39/95/514273995.db2.gz TXCOYAOQWPESLB-UHFFFAOYSA-N 1 2 359.430 2.729 20 5 FFBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccc([S@@](C)=O)cc1 ZINC000444646540 514283898 /nfs/dbraw/zinc/28/38/98/514283898.db2.gz ZSFADBPKQRPJGL-RUZDIDTESA-N 1 2 358.423 2.841 20 5 FFBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccc([S@@](C)=O)cc1 ZINC000444646540 514283907 /nfs/dbraw/zinc/28/39/07/514283907.db2.gz ZSFADBPKQRPJGL-RUZDIDTESA-N 1 2 358.423 2.841 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H](c4nnc(C5CC5)[nH]4)C3)nc2c1 ZINC000444678114 514291068 /nfs/dbraw/zinc/29/10/68/514291068.db2.gz WALGZPIZKDAPIQ-LBPRGKRZSA-N 1 2 367.413 2.846 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@H](c4nnc(C5CC5)[nH]4)C3)nc2c1 ZINC000444678114 514291077 /nfs/dbraw/zinc/29/10/77/514291077.db2.gz WALGZPIZKDAPIQ-LBPRGKRZSA-N 1 2 367.413 2.846 20 5 FFBDLO O=C(NCCNc1cccc[nH+]1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000432919219 514322996 /nfs/dbraw/zinc/32/29/96/514322996.db2.gz SPTJEYHJQPVOOS-UHFFFAOYSA-N 1 2 365.187 2.594 20 5 FFBDLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427905965 514343133 /nfs/dbraw/zinc/34/31/33/514343133.db2.gz QXBFTARMXBDXEV-UHFFFAOYSA-N 1 2 366.377 2.518 20 5 FFBDLO Cc1ccc([C@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)[NH+]2CCCC2)o1 ZINC000428021642 514376110 /nfs/dbraw/zinc/37/61/10/514376110.db2.gz GALRGUXUJUCXIW-INIZCTEOSA-N 1 2 359.382 2.769 20 5 FFBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCc3c(nnn3-c3ccccc3)C2)c1 ZINC000433204967 514419647 /nfs/dbraw/zinc/41/96/47/514419647.db2.gz CUNJZXBQDJSAMF-UHFFFAOYSA-N 1 2 365.393 2.613 20 5 FFBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCc3c(nnn3-c3ccccc3)C2)c1 ZINC000433204967 514419654 /nfs/dbraw/zinc/41/96/54/514419654.db2.gz CUNJZXBQDJSAMF-UHFFFAOYSA-N 1 2 365.393 2.613 20 5 FFBDLO CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCS1 ZINC000449991588 514455656 /nfs/dbraw/zinc/45/56/56/514455656.db2.gz VIMCRDHGFYBFTL-INIZCTEOSA-N 1 2 360.439 2.994 20 5 FFBDLO CC(C)c1[nH+]c2ccccc2n1Cc1noc(-c2c([N+](=O)[O-])cnn2C)n1 ZINC000445660227 514503407 /nfs/dbraw/zinc/50/34/07/514503407.db2.gz NKPAWTQWYCGFTJ-UHFFFAOYSA-N 1 2 367.369 2.900 20 5 FFBDLO CCOc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc1[N+](=O)[O-] ZINC000445821185 514527045 /nfs/dbraw/zinc/52/70/45/514527045.db2.gz WNOKGAHQYCGGHD-XJKSGUPXSA-N 1 2 374.397 2.969 20 5 FFBDLO CCOc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc1[N+](=O)[O-] ZINC000445821185 514527055 /nfs/dbraw/zinc/52/70/55/514527055.db2.gz WNOKGAHQYCGGHD-XJKSGUPXSA-N 1 2 374.397 2.969 20 5 FFBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3csc(-c4ncccn4)n3)CC2)n1 ZINC000488967033 514655078 /nfs/dbraw/zinc/65/50/78/514655078.db2.gz GUWQJWJVDFSYFW-UHFFFAOYSA-N 1 2 371.426 2.542 20 5 FFBDLO CCc1nc(C)c(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])o1 ZINC000489072264 514695719 /nfs/dbraw/zinc/69/57/19/514695719.db2.gz JBIMZDLXBYLQJN-UHFFFAOYSA-N 1 2 360.414 2.898 20 5 FFBDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@H](C)C1 ZINC000508318574 514741223 /nfs/dbraw/zinc/74/12/23/514741223.db2.gz MNOCZXDVKJDFOR-CQSZACIVSA-N 1 2 373.409 2.933 20 5 FFBDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@H](C)C1 ZINC000508318574 514741231 /nfs/dbraw/zinc/74/12/31/514741231.db2.gz MNOCZXDVKJDFOR-CQSZACIVSA-N 1 2 373.409 2.933 20 5 FFBDLO CCc1cc(NCCO[C@H]2CCCCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000461892377 514770854 /nfs/dbraw/zinc/77/08/54/514770854.db2.gz USINSHKHVPRQPA-SFHVURJKSA-N 1 2 372.425 2.991 20 5 FFBDLO Cc1c(CNC(=O)NCCCCNc2cccc[nH+]2)cccc1[N+](=O)[O-] ZINC000480057934 514826180 /nfs/dbraw/zinc/82/61/80/514826180.db2.gz IILBKJWTRDQYOQ-UHFFFAOYSA-N 1 2 357.414 2.990 20 5 FFBDLO O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000502978229 514865071 /nfs/dbraw/zinc/86/50/71/514865071.db2.gz AOKLFXAKUKDPLA-GOSISDBHSA-N 1 2 370.409 2.790 20 5 FFBDLO C[C@@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000480373211 514935837 /nfs/dbraw/zinc/93/58/37/514935837.db2.gz CYNHQXILOINTQZ-ZDUSSCGKSA-N 1 2 368.397 2.504 20 5 FFBDLO CC(C)(NC(=O)NCc1ccn2cc[nH+]c2c1)c1ccccc1[N+](=O)[O-] ZINC000489744381 514958346 /nfs/dbraw/zinc/95/83/46/514958346.db2.gz LTLGCWOLHFQKSY-UHFFFAOYSA-N 1 2 353.382 2.977 20 5 FFBDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc([N+](=O)[O-])n3C)n2)C1 ZINC000509246445 515090569 /nfs/dbraw/zinc/09/05/69/515090569.db2.gz LGLUHPQDDBGNFF-LLVKDONJSA-N 1 2 363.443 2.874 20 5 FFBDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc([N+](=O)[O-])n3C)n2)C1 ZINC000509246445 515090579 /nfs/dbraw/zinc/09/05/79/515090579.db2.gz LGLUHPQDDBGNFF-LLVKDONJSA-N 1 2 363.443 2.874 20 5 FFBDLO C[C@@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000456338890 515106880 /nfs/dbraw/zinc/10/68/80/515106880.db2.gz OLCWKDGUVIVJAA-HNNXBMFYSA-N 1 2 369.421 2.895 20 5 FFBDLO C[C@@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000456338890 515106886 /nfs/dbraw/zinc/10/68/86/515106886.db2.gz OLCWKDGUVIVJAA-HNNXBMFYSA-N 1 2 369.421 2.895 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3nnnn3CC3CC3)o2)cc1 ZINC000472075750 515113191 /nfs/dbraw/zinc/11/31/91/515113191.db2.gz SUMFCLGZWFFIMY-UHFFFAOYSA-N 1 2 354.370 2.541 20 5 FFBDLO CNc1c(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cccc1[N+](=O)[O-] ZINC000462905353 515291422 /nfs/dbraw/zinc/29/14/22/515291422.db2.gz XWOXKCVLKKFDOB-UHFFFAOYSA-N 1 2 370.409 2.721 20 5 FFBDLO CNc1c(C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)cccc1[N+](=O)[O-] ZINC000462998583 515329739 /nfs/dbraw/zinc/32/97/39/515329739.db2.gz WBBUEDDCGFOZIM-CQSZACIVSA-N 1 2 369.425 2.551 20 5 FFBDLO COc1cc[nH+]cc1NC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000499827686 515472089 /nfs/dbraw/zinc/47/20/89/515472089.db2.gz JJLHEVNEIXTQBR-UHFFFAOYSA-N 1 2 369.280 2.861 20 5 FFBDLO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1nc(-c2cccnc2)no1 ZINC000473286486 515565345 /nfs/dbraw/zinc/56/53/45/515565345.db2.gz DEWRWCCJIBZHDK-UHFFFAOYSA-N 1 2 355.354 2.551 20 5 FFBDLO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1nc(-c2cccnc2)no1 ZINC000473286486 515565352 /nfs/dbraw/zinc/56/53/52/515565352.db2.gz DEWRWCCJIBZHDK-UHFFFAOYSA-N 1 2 355.354 2.551 20 5 FFBDLO CCOc1cc(C[N@@H+]2CCO[C@H](COCC3CC3)C2)ccc1[N+](=O)[O-] ZINC000492876518 515573502 /nfs/dbraw/zinc/57/35/02/515573502.db2.gz WOGCQTPWFPKMBJ-INIZCTEOSA-N 1 2 350.415 2.621 20 5 FFBDLO CCOc1cc(C[N@H+]2CCO[C@H](COCC3CC3)C2)ccc1[N+](=O)[O-] ZINC000492876518 515573508 /nfs/dbraw/zinc/57/35/08/515573508.db2.gz WOGCQTPWFPKMBJ-INIZCTEOSA-N 1 2 350.415 2.621 20 5 FFBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000505551262 515582311 /nfs/dbraw/zinc/58/23/11/515582311.db2.gz RTSYNCUQIYIBGX-OAHLLOKOSA-N 1 2 352.350 2.523 20 5 FFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000510676080 515632922 /nfs/dbraw/zinc/63/29/22/515632922.db2.gz VLUSNNWKCAUCHR-UHFFFAOYSA-N 1 2 365.393 2.992 20 5 FFBDLO Cc1ccncc1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000477903465 515634632 /nfs/dbraw/zinc/63/46/32/515634632.db2.gz TVYYKJNNSCUZSD-UHFFFAOYSA-N 1 2 351.366 2.756 20 5 FFBDLO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000469038040 515639288 /nfs/dbraw/zinc/63/92/88/515639288.db2.gz UEBDCFPWAQBCHA-INIZCTEOSA-N 1 2 359.382 2.850 20 5 FFBDLO O=[N+]([O-])c1ccc(OC2C[NH+](Cc3ccccc3N3CCOCC3)C2)cc1 ZINC000459617808 515697980 /nfs/dbraw/zinc/69/79/80/515697980.db2.gz CZLHPOXQJWFVFG-UHFFFAOYSA-N 1 2 369.421 2.695 20 5 FFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c(F)c1 ZINC000511645946 515978085 /nfs/dbraw/zinc/97/80/85/515978085.db2.gz FSFYRRQATMKMKQ-GZMMTYOYSA-N 1 2 354.275 2.866 20 5 FFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c(F)c1 ZINC000511645946 515978095 /nfs/dbraw/zinc/97/80/95/515978095.db2.gz FSFYRRQATMKMKQ-GZMMTYOYSA-N 1 2 354.275 2.866 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+](C)CCOCc2ccccc2)c([N+](=O)[O-])c1 ZINC000464858157 515992533 /nfs/dbraw/zinc/99/25/33/515992533.db2.gz VGMRNYFYXKTAQU-UHFFFAOYSA-N 1 2 373.409 2.691 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+](C)CCOCc2ccccc2)c([N+](=O)[O-])c1 ZINC000464858157 515992545 /nfs/dbraw/zinc/99/25/45/515992545.db2.gz VGMRNYFYXKTAQU-UHFFFAOYSA-N 1 2 373.409 2.691 20 5 FFBDLO CC1(C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@]2(CCCOC2)O1 ZINC000483338169 516039637 /nfs/dbraw/zinc/03/96/37/516039637.db2.gz HOENTZFNBBCXOS-SFHVURJKSA-N 1 2 360.414 2.631 20 5 FFBDLO CC1(C)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@]2(CCCOC2)O1 ZINC000483338169 516039644 /nfs/dbraw/zinc/03/96/44/516039644.db2.gz HOENTZFNBBCXOS-SFHVURJKSA-N 1 2 360.414 2.631 20 5 FFBDLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000483750049 516199828 /nfs/dbraw/zinc/19/98/28/516199828.db2.gz BVUPDGYHUCKHGX-QMMMGPOBSA-N 1 2 354.288 2.624 20 5 FFBDLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000483750049 516199834 /nfs/dbraw/zinc/19/98/34/516199834.db2.gz BVUPDGYHUCKHGX-QMMMGPOBSA-N 1 2 354.288 2.624 20 5 FFBDLO O=[N+]([O-])c1cnc2ccc(Br)cc2c1NCCn1cc[nH+]c1 ZINC000502074270 516298608 /nfs/dbraw/zinc/29/86/08/516298608.db2.gz JDBMQQGPFOUGHL-UHFFFAOYSA-N 1 2 362.187 2.636 20 5 FFBDLO Cc1nc(C)c(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC000461029475 516307810 /nfs/dbraw/zinc/30/78/10/516307810.db2.gz SRJHNZKXWONVCV-UHFFFAOYSA-N 1 2 357.395 2.784 20 5 FFBDLO O=C(N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000517676328 516406647 /nfs/dbraw/zinc/40/66/47/516406647.db2.gz ZRPUZHSEAINIAH-LLVKDONJSA-N 1 2 364.352 2.596 20 5 FFBDLO O=C(N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000517676328 516406653 /nfs/dbraw/zinc/40/66/53/516406653.db2.gz ZRPUZHSEAINIAH-LLVKDONJSA-N 1 2 364.352 2.596 20 5 FFBDLO O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000531919988 516715393 /nfs/dbraw/zinc/71/53/93/516715393.db2.gz XKHZOKVKOANYPX-JKSUJKDBSA-N 1 2 367.833 2.621 20 5 FFBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)c1 ZINC000532138328 516821463 /nfs/dbraw/zinc/82/14/63/516821463.db2.gz CABWBQKOQZIKIT-CQSZACIVSA-N 1 2 370.409 2.517 20 5 FFBDLO CCc1cc(NCCc2nccnc2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000555223643 516838868 /nfs/dbraw/zinc/83/88/68/516838868.db2.gz KBSHSRUHLZECQO-UHFFFAOYSA-N 1 2 364.409 2.789 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1 ZINC000514091246 516859455 /nfs/dbraw/zinc/85/94/55/516859455.db2.gz YLFXYQQBKLMLHO-SFHVURJKSA-N 1 2 366.377 2.936 20 5 FFBDLO COc1cccc(Cl)c1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000536638565 516866403 /nfs/dbraw/zinc/86/64/03/516866403.db2.gz KONPJMJSFXPMSU-UHFFFAOYSA-N 1 2 362.817 2.974 20 5 FFBDLO O=C(C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@H]1CCCO1)N1CCCC1 ZINC000536680014 516889819 /nfs/dbraw/zinc/88/98/19/516889819.db2.gz WMKFAHPSYAYRBG-GNJLHFKMSA-N 1 2 373.453 2.711 20 5 FFBDLO O=C(C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@H]1CCCO1)N1CCCC1 ZINC000536680014 516889828 /nfs/dbraw/zinc/88/98/28/516889828.db2.gz WMKFAHPSYAYRBG-GNJLHFKMSA-N 1 2 373.453 2.711 20 5 FFBDLO CCc1[nH+]c2ccccc2n1C1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000548417716 516971970 /nfs/dbraw/zinc/97/19/70/516971970.db2.gz DXGVTZDDGYZCCE-UHFFFAOYSA-N 1 2 368.397 2.707 20 5 FFBDLO Cc1ccccc1[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000541348517 517004769 /nfs/dbraw/zinc/00/47/69/517004769.db2.gz PYWIWENDVRJPPI-JXFKEZNVSA-N 1 2 372.421 2.716 20 5 FFBDLO Cc1ccccc1[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000541348517 517004779 /nfs/dbraw/zinc/00/47/79/517004779.db2.gz PYWIWENDVRJPPI-JXFKEZNVSA-N 1 2 372.421 2.716 20 5 FFBDLO Cc1ccc([C@H](CN2CCOCC2)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000559146624 517100339 /nfs/dbraw/zinc/10/03/39/517100339.db2.gz AFNFFSDGZYSVIE-IBGZPJMESA-N 1 2 371.437 2.772 20 5 FFBDLO Cc1c(C[N@@H+](C)[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cnn1C ZINC000562503045 517148303 /nfs/dbraw/zinc/14/83/03/517148303.db2.gz WWESKFRIBMRQGP-GFCCVEGCSA-N 1 2 356.386 2.880 20 5 FFBDLO Cc1c(C[N@H+](C)[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cnn1C ZINC000562503045 517148310 /nfs/dbraw/zinc/14/83/10/517148310.db2.gz WWESKFRIBMRQGP-GFCCVEGCSA-N 1 2 356.386 2.880 20 5 FFBDLO O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000515243771 517269147 /nfs/dbraw/zinc/26/91/47/517269147.db2.gz QMOXOPVGLFXUCN-UHFFFAOYSA-N 1 2 365.393 2.682 20 5 FFBDLO O=[N+]([O-])c1cccc2c1CCN(c1cc(N3CCSCC3)[nH+]cn1)C2 ZINC000559495373 517286857 /nfs/dbraw/zinc/28/68/57/517286857.db2.gz DEWZCSQIANONDW-UHFFFAOYSA-N 1 2 357.439 2.501 20 5 FFBDLO O=[N+]([O-])c1cccc2c1CCN(c1cc(N3CCSCC3)nc[nH+]1)C2 ZINC000559495373 517286864 /nfs/dbraw/zinc/28/68/64/517286864.db2.gz DEWZCSQIANONDW-UHFFFAOYSA-N 1 2 357.439 2.501 20 5 FFBDLO CN1CC[NH+](Cc2cccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)c2)CC1 ZINC000520231084 517311106 /nfs/dbraw/zinc/31/11/06/517311106.db2.gz YFKSVRWBGDWDPT-UHFFFAOYSA-N 1 2 372.400 2.734 20 5 FFBDLO C[C@@H]1COc2ccccc2C[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000542013696 517338257 /nfs/dbraw/zinc/33/82/57/517338257.db2.gz KDPHQZOHEPKNJW-CQSZACIVSA-N 1 2 355.394 2.841 20 5 FFBDLO C[C@@H]1COc2ccccc2C[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000542013696 517338263 /nfs/dbraw/zinc/33/82/63/517338263.db2.gz KDPHQZOHEPKNJW-CQSZACIVSA-N 1 2 355.394 2.841 20 5 FFBDLO O=C(NCCCCn1cc[nH+]c1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000533222945 517352142 /nfs/dbraw/zinc/35/21/42/517352142.db2.gz ICUKRYIALJKDGE-UHFFFAOYSA-N 1 2 367.203 2.764 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc([C@H]3C[N@@H+](C4CC4)CCO3)no2)c(Cl)c1 ZINC000545792823 517368259 /nfs/dbraw/zinc/36/82/59/517368259.db2.gz LRIADMKLUTTWMZ-CYBMUJFWSA-N 1 2 350.762 2.834 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc([C@H]3C[N@H+](C4CC4)CCO3)no2)c(Cl)c1 ZINC000545792823 517368266 /nfs/dbraw/zinc/36/82/66/517368266.db2.gz LRIADMKLUTTWMZ-CYBMUJFWSA-N 1 2 350.762 2.834 20 5 FFBDLO Nc1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c[nH+]1 ZINC000549239067 517470501 /nfs/dbraw/zinc/47/05/01/517470501.db2.gz NCGZXZRYXFFGSD-UHFFFAOYSA-N 1 2 355.276 2.743 20 5 FFBDLO Cc1cc(N2CC[NH+](CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000520882342 517542441 /nfs/dbraw/zinc/54/24/41/517542441.db2.gz XGAPHKSQPSIESR-DOTOQJQBSA-N 1 2 374.485 2.720 20 5 FFBDLO CCc1[nH+]c2ccccc2n1CC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000527474872 517698080 /nfs/dbraw/zinc/69/80/80/517698080.db2.gz VJWDOPCDOURPJP-UHFFFAOYSA-N 1 2 352.394 2.866 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000542863533 517787160 /nfs/dbraw/zinc/78/71/60/517787160.db2.gz STKCFNQCDMFKOA-QGZVFWFLSA-N 1 2 356.426 2.920 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000542863533 517787173 /nfs/dbraw/zinc/78/71/73/517787173.db2.gz STKCFNQCDMFKOA-QGZVFWFLSA-N 1 2 356.426 2.920 20 5 FFBDLO C[C@H]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@H]1n1cc[nH+]c1 ZINC000534258179 517810148 /nfs/dbraw/zinc/81/01/48/517810148.db2.gz VZOSHTFPSJJYDC-BLLLJJGKSA-N 1 2 353.382 2.996 20 5 FFBDLO Cc1ccccc1[C@@H](CO)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000542913235 517811769 /nfs/dbraw/zinc/81/17/69/517811769.db2.gz ICQIRNHNFMSVJH-MRXNPFEDSA-N 1 2 354.366 2.776 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CCN(Cc3[nH]cc[nH+]3)CC2)cc1C(F)(F)F ZINC000530616482 517882570 /nfs/dbraw/zinc/88/25/70/517882570.db2.gz MNTQSHMBEOWZGY-UHFFFAOYSA-N 1 2 355.320 2.659 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+][C@@H](CO)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000560547841 517886430 /nfs/dbraw/zinc/88/64/30/517886430.db2.gz DGXRNXNLLDTHIE-IEBWSBKVSA-N 1 2 366.421 2.611 20 5 FFBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1c(F)cncc1F ZINC000553763002 517891586 /nfs/dbraw/zinc/89/15/86/517891586.db2.gz XNPWFYYYIILTLL-JTQLQIEISA-N 1 2 373.319 2.945 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2cn3cccc(C)c3[nH+]2)c1 ZINC000553855967 517934666 /nfs/dbraw/zinc/93/46/66/517934666.db2.gz MJQLDARLBQVBEE-UHFFFAOYSA-N 1 2 368.393 2.945 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](CC(=O)NCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000557554893 518073400 /nfs/dbraw/zinc/07/34/00/518073400.db2.gz DFLSTPOLFIIEBR-GFCCVEGCSA-N 1 2 356.304 2.681 20 5 FFBDLO Cc1ccc(OC[C@H](O)C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000563843262 518146113 /nfs/dbraw/zinc/14/61/13/518146113.db2.gz RWYPFEPKDJZEBV-QGZVFWFLSA-N 1 2 358.394 2.538 20 5 FFBDLO Cc1ccc(OC[C@H](O)C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000563843262 518146116 /nfs/dbraw/zinc/14/61/16/518146116.db2.gz RWYPFEPKDJZEBV-QGZVFWFLSA-N 1 2 358.394 2.538 20 5 FFBDLO COC(=O)c1cc(C)nc(NCc2cccc(-c3[nH]cc[nH+]3)c2)c1[N+](=O)[O-] ZINC000578683323 518325444 /nfs/dbraw/zinc/32/54/44/518325444.db2.gz UKZYWFZPFKFJKX-UHFFFAOYSA-N 1 2 367.365 2.509 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC(F)(F)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000582209749 518638293 /nfs/dbraw/zinc/63/82/93/518638293.db2.gz DSSCQOLBTSBCPT-WDEREUQCSA-N 1 2 357.357 2.908 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC(F)(F)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000582209749 518638298 /nfs/dbraw/zinc/63/82/98/518638298.db2.gz DSSCQOLBTSBCPT-WDEREUQCSA-N 1 2 357.357 2.908 20 5 FFBDLO Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])C1)CCCC2 ZINC000586809442 518649936 /nfs/dbraw/zinc/64/99/36/518649936.db2.gz LKHMGQVYNXJLEK-ZDUSSCGKSA-N 1 2 370.409 2.771 20 5 FFBDLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000587051293 518675570 /nfs/dbraw/zinc/67/55/70/518675570.db2.gz JSNIZFAKSFCKHF-LBPRGKRZSA-N 1 2 369.406 2.660 20 5 FFBDLO COC(=O)C[C@@H]1COCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000589208422 518951739 /nfs/dbraw/zinc/95/17/39/518951739.db2.gz HLHFYUSHOQTMPN-OAHLLOKOSA-N 1 2 360.366 2.619 20 5 FFBDLO COC(=O)C[C@@H]1COCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000589208422 518951746 /nfs/dbraw/zinc/95/17/46/518951746.db2.gz HLHFYUSHOQTMPN-OAHLLOKOSA-N 1 2 360.366 2.619 20 5 FFBDLO Cc1ccc(OC[C@@H](O)C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c(C)c1 ZINC000589303909 518977339 /nfs/dbraw/zinc/97/73/39/518977339.db2.gz DRPXDYMFRNOEPR-SFHVURJKSA-N 1 2 372.421 2.846 20 5 FFBDLO Cc1ccc(OC[C@@H](O)C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c(C)c1 ZINC000589303909 518977343 /nfs/dbraw/zinc/97/73/43/518977343.db2.gz DRPXDYMFRNOEPR-SFHVURJKSA-N 1 2 372.421 2.846 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)Cc2ccc(OC)c(O)c2)c1 ZINC000589496760 519017792 /nfs/dbraw/zinc/01/77/92/519017792.db2.gz NPNOIBQDYJNZPB-UHFFFAOYSA-N 1 2 360.366 2.728 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)Cc2ccc(OC)c(O)c2)c1 ZINC000589496760 519017797 /nfs/dbraw/zinc/01/77/97/519017797.db2.gz NPNOIBQDYJNZPB-UHFFFAOYSA-N 1 2 360.366 2.728 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H]1[C@H]1CCCOC1 ZINC000580200478 519057852 /nfs/dbraw/zinc/05/78/52/519057852.db2.gz VOORAEUSKKUAHA-JKSUJKDBSA-N 1 2 370.409 2.812 20 5 FFBDLO CN(C(=O)c1cccc(O)c1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000565661708 519070116 /nfs/dbraw/zinc/07/01/16/519070116.db2.gz UJKAGMUVYVUNGK-HNNXBMFYSA-N 1 2 355.394 2.647 20 5 FFBDLO CN(C(=O)c1cccc(O)c1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000565661708 519070124 /nfs/dbraw/zinc/07/01/24/519070124.db2.gz UJKAGMUVYVUNGK-HNNXBMFYSA-N 1 2 355.394 2.647 20 5 FFBDLO CNc1nc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000568525133 519084446 /nfs/dbraw/zinc/08/44/46/519084446.db2.gz DYNOYNAFSMLDEP-JOCQHMNTSA-N 1 2 370.413 2.580 20 5 FFBDLO O=C1NCCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1Cc1ccccc1 ZINC000590188475 519169849 /nfs/dbraw/zinc/16/98/49/519169849.db2.gz QLBWOOZVTOKIPM-GOSISDBHSA-N 1 2 357.385 2.667 20 5 FFBDLO O=C1NCCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1Cc1ccccc1 ZINC000590188475 519169855 /nfs/dbraw/zinc/16/98/55/519169855.db2.gz QLBWOOZVTOKIPM-GOSISDBHSA-N 1 2 357.385 2.667 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000590626036 519294686 /nfs/dbraw/zinc/29/46/86/519294686.db2.gz KIYMLROONRAHHC-CQSZACIVSA-N 1 2 366.381 2.523 20 5 FFBDLO O=C(CCC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000590629390 519294897 /nfs/dbraw/zinc/29/48/97/519294897.db2.gz ZHENYOABIAXVFT-MRXNPFEDSA-N 1 2 356.382 2.618 20 5 FFBDLO COC(=O)c1cc(C)nc(Nc2ccc(N3CCCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000569007544 519328602 /nfs/dbraw/zinc/32/86/02/519328602.db2.gz BTYNRUFQLSWDLE-UHFFFAOYSA-N 1 2 357.370 2.824 20 5 FFBDLO Nc1nc(N[C@H]2CCC[C@@H](c3[nH]c4ccccc4[nH+]3)C2)ncc1[N+](=O)[O-] ZINC000578009300 519370971 /nfs/dbraw/zinc/37/09/71/519370971.db2.gz NZKUQDZUDISGAK-MNOVXSKESA-N 1 2 353.386 2.812 20 5 FFBDLO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000578257972 519499114 /nfs/dbraw/zinc/49/91/14/519499114.db2.gz QEJUTXSRJHPVSG-KRWDZBQOSA-N 1 2 373.457 2.913 20 5 FFBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC=C(c3cnn(C)c3)C2)cccc1[N+](=O)[O-] ZINC000602890230 519953539 /nfs/dbraw/zinc/95/35/39/519953539.db2.gz YSMDYWLUKWNIKM-CQSZACIVSA-N 1 2 369.425 2.753 20 5 FFBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC=C(c3cnn(C)c3)C2)cccc1[N+](=O)[O-] ZINC000602890230 519953551 /nfs/dbraw/zinc/95/35/51/519953551.db2.gz YSMDYWLUKWNIKM-CQSZACIVSA-N 1 2 369.425 2.753 20 5 FFBDLO CCn1nc(C)c(C[N@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])c1C ZINC000602926968 519976726 /nfs/dbraw/zinc/97/67/26/519976726.db2.gz VHWSFOKQIBSLSN-UHFFFAOYSA-N 1 2 359.430 2.807 20 5 FFBDLO CCn1nc(C)c(C[N@@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])c1C ZINC000602926968 519976735 /nfs/dbraw/zinc/97/67/35/519976735.db2.gz VHWSFOKQIBSLSN-UHFFFAOYSA-N 1 2 359.430 2.807 20 5 FFBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594484116 519995394 /nfs/dbraw/zinc/99/53/94/519995394.db2.gz SIRPLRRLOFLHRE-QWHCGFSZSA-N 1 2 373.862 2.543 20 5 FFBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594484116 519995398 /nfs/dbraw/zinc/99/53/98/519995398.db2.gz SIRPLRRLOFLHRE-QWHCGFSZSA-N 1 2 373.862 2.543 20 5 FFBDLO CC[C@@]1(O)CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000602983253 520005588 /nfs/dbraw/zinc/00/55/88/520005588.db2.gz GHHPQWOTXLZJQV-MEDUHNTESA-N 1 2 355.822 2.812 20 5 FFBDLO CC[C@@]1(O)CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000602983253 520005597 /nfs/dbraw/zinc/00/55/97/520005597.db2.gz GHHPQWOTXLZJQV-MEDUHNTESA-N 1 2 355.822 2.812 20 5 FFBDLO O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CC[NH+](CCCF)CC1 ZINC000600075983 520032313 /nfs/dbraw/zinc/03/23/13/520032313.db2.gz GDVOLGKBTKSGME-UHFFFAOYSA-N 1 2 372.400 2.774 20 5 FFBDLO CCOC(=O)Cc1ccc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000591925634 520090105 /nfs/dbraw/zinc/09/01/05/520090105.db2.gz VZQOUWLGVXXXAU-OAHLLOKOSA-N 1 2 370.409 2.786 20 5 FFBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC(F)(F)c2cccc(F)c2)c1 ZINC000594717737 520110783 /nfs/dbraw/zinc/11/07/83/520110783.db2.gz FVVMMBPTMYPSSY-HNNXBMFYSA-N 1 2 370.327 2.855 20 5 FFBDLO O=C(NCc1[nH+]ccn1CC(F)(F)F)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000609037900 520180463 /nfs/dbraw/zinc/18/04/63/520180463.db2.gz UFXYHHOKDSTIJZ-UHFFFAOYSA-N 1 2 367.287 2.765 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](Oc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000592136425 520211501 /nfs/dbraw/zinc/21/15/01/520211501.db2.gz XXYHAYYSLFTFHW-INIZCTEOSA-N 1 2 371.393 2.695 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@H](Oc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000592136425 520211509 /nfs/dbraw/zinc/21/15/09/520211509.db2.gz XXYHAYYSLFTFHW-INIZCTEOSA-N 1 2 371.393 2.695 20 5 FFBDLO O=C(C[N@@H+]1CCCO[C@@H](c2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000609234422 520239870 /nfs/dbraw/zinc/23/98/70/520239870.db2.gz RQUBCQBDVPOEED-GOSISDBHSA-N 1 2 355.394 2.997 20 5 FFBDLO O=C(C[N@H+]1CCCO[C@@H](c2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000609234422 520239875 /nfs/dbraw/zinc/23/98/75/520239875.db2.gz RQUBCQBDVPOEED-GOSISDBHSA-N 1 2 355.394 2.997 20 5 FFBDLO CN(Cc1c[nH+]c[nH]1)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000597865144 520292398 /nfs/dbraw/zinc/29/23/98/520292398.db2.gz UICSDLOVLQZMLH-UHFFFAOYSA-N 1 2 358.276 2.531 20 5 FFBDLO CN(Cc1c[nH]c[nH+]1)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000597865144 520292405 /nfs/dbraw/zinc/29/24/05/520292405.db2.gz UICSDLOVLQZMLH-UHFFFAOYSA-N 1 2 358.276 2.531 20 5 FFBDLO CC[C@H](COCC1CC1)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000597924885 520326804 /nfs/dbraw/zinc/32/68/04/520326804.db2.gz UIXBUXVCFDZZLG-OAHLLOKOSA-N 1 2 358.398 2.716 20 5 FFBDLO O=C(C[N@@H+]1CCCN(c2ccccc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000603910999 520402492 /nfs/dbraw/zinc/40/24/92/520402492.db2.gz LUDWKQVSSMNEBS-UHFFFAOYSA-N 1 2 354.410 2.746 20 5 FFBDLO O=C(C[N@H+]1CCCN(c2ccccc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000603910999 520402499 /nfs/dbraw/zinc/40/24/99/520402499.db2.gz LUDWKQVSSMNEBS-UHFFFAOYSA-N 1 2 354.410 2.746 20 5 FFBDLO Cc1noc(C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)c1[N+](=O)[O-] ZINC000595510092 520519287 /nfs/dbraw/zinc/51/92/87/520519287.db2.gz JACRWSVTOFHALQ-LLVKDONJSA-N 1 2 374.166 2.616 20 5 FFBDLO CC1(C)[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1(F)F ZINC000598341531 520564914 /nfs/dbraw/zinc/56/49/14/520564914.db2.gz WFFQCJMCUZRDDN-CYBMUJFWSA-N 1 2 350.325 2.802 20 5 FFBDLO O=[N+]([O-])c1sccc1NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000610274357 520616652 /nfs/dbraw/zinc/61/66/52/520616652.db2.gz WDTZKRBYFXUUAM-UHFFFAOYSA-N 1 2 363.439 2.979 20 5 FFBDLO O=[N+]([O-])c1cnn(CC[NH+]2CCN(c3ccc(Cl)cc3Cl)CC2)c1 ZINC000595660231 520629730 /nfs/dbraw/zinc/62/97/30/520629730.db2.gz SVBWUTFPSSQYRM-UHFFFAOYSA-N 1 2 370.240 2.920 20 5 FFBDLO Cc1nn(C)c(N2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)c1[N+](=O)[O-] ZINC000601187859 520678935 /nfs/dbraw/zinc/67/89/35/520678935.db2.gz XUXZEALMDXGUCX-UHFFFAOYSA-N 1 2 354.414 2.972 20 5 FFBDLO COCc1ncc2c(n1)CCN(c1ccc3c[nH+]ccc3c1[N+](=O)[O-])C2 ZINC000601208842 520687498 /nfs/dbraw/zinc/68/74/98/520687498.db2.gz NMMVADHSHJZNFQ-UHFFFAOYSA-N 1 2 351.366 2.642 20 5 FFBDLO COc1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000595758808 520703327 /nfs/dbraw/zinc/70/33/27/520703327.db2.gz HHBLHXHCFQVJKA-ZDUSSCGKSA-N 1 2 355.394 2.989 20 5 FFBDLO COc1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000595758808 520703336 /nfs/dbraw/zinc/70/33/36/520703336.db2.gz HHBLHXHCFQVJKA-ZDUSSCGKSA-N 1 2 355.394 2.989 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC2(CC2(F)F)CC1 ZINC000593073659 520724050 /nfs/dbraw/zinc/72/40/50/520724050.db2.gz VVCITTFEFDDPGJ-UHFFFAOYSA-N 1 2 355.341 2.663 20 5 FFBDLO COc1ccc(NC(=O)C[NH+]2CCC3(CC3(F)F)CC2)c([N+](=O)[O-])c1 ZINC000593072599 520724457 /nfs/dbraw/zinc/72/44/57/520724457.db2.gz ITVPEAFWTULMKL-UHFFFAOYSA-N 1 2 355.341 2.663 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccnn2-c2cc[nH+]cc2)c1C ZINC000610855229 520875570 /nfs/dbraw/zinc/87/55/70/520875570.db2.gz FHMKTQXYRVGGRH-UHFFFAOYSA-N 1 2 373.394 2.593 20 5 FFBDLO O=[N+]([O-])c1c(NC[C@@]2([NH+]3CCOCC3)CCSC2)ccc2cnccc21 ZINC000599027735 520989401 /nfs/dbraw/zinc/98/94/01/520989401.db2.gz QQQWNHWJTYGQNX-SFHVURJKSA-N 1 2 374.466 2.763 20 5 FFBDLO COc1cccc([N+](=O)[O-])c1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000596349986 521036099 /nfs/dbraw/zinc/03/60/99/521036099.db2.gz TXZXVNMHHQHHNF-MJGOQNOKSA-N 1 2 369.421 2.693 20 5 FFBDLO COc1cccc([N+](=O)[O-])c1N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000596349986 521036103 /nfs/dbraw/zinc/03/61/03/521036103.db2.gz TXZXVNMHHQHHNF-MJGOQNOKSA-N 1 2 369.421 2.693 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(c2cccnc2)CC1 ZINC000611258803 521061804 /nfs/dbraw/zinc/06/18/04/521061804.db2.gz OGWMQYYQFQIYHM-UHFFFAOYSA-N 1 2 370.409 2.817 20 5 FFBDLO O=C(Cc1cn2c([nH+]1)CCCC2)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000593587019 521092682 /nfs/dbraw/zinc/09/26/82/521092682.db2.gz BNKXVZPTKCTYGJ-UHFFFAOYSA-N 1 2 362.817 2.682 20 5 FFBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000602055663 521107554 /nfs/dbraw/zinc/10/75/54/521107554.db2.gz DNXCSOBIWAKVGV-CYBMUJFWSA-N 1 2 356.304 2.943 20 5 FFBDLO O=C1[C@H]([NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCN1C1CCCCC1 ZINC000599265435 521117321 /nfs/dbraw/zinc/11/73/21/521117321.db2.gz UTYUADZFWYCAJN-LJQANCHMSA-N 1 2 372.469 2.650 20 5 FFBDLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](c2noc(-c3ccc([N+](=O)[O-])[nH]3)n2)O1 ZINC000596613183 521166568 /nfs/dbraw/zinc/16/65/68/521166568.db2.gz DFDYOFAEKAUFLT-IUODEOHRSA-N 1 2 369.381 2.935 20 5 FFBDLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](c2noc(-c3ccc([N+](=O)[O-])[nH]3)n2)O1 ZINC000596613183 521166577 /nfs/dbraw/zinc/16/65/77/521166577.db2.gz DFDYOFAEKAUFLT-IUODEOHRSA-N 1 2 369.381 2.935 20 5 FFBDLO CCN(CC)c1ccc(CNc2ncnc3ccc([N+](=O)[O-])cc32)c[nH+]1 ZINC000611700984 521286248 /nfs/dbraw/zinc/28/62/48/521286248.db2.gz LICXZSYVTRSZIP-UHFFFAOYSA-N 1 2 352.398 2.813 20 5 FFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599635027 521347051 /nfs/dbraw/zinc/34/70/51/521347051.db2.gz JLGGDJYZLKJPRX-RRMDADRESA-N 1 2 373.272 2.843 20 5 FFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599635027 521347055 /nfs/dbraw/zinc/34/70/55/521347055.db2.gz JLGGDJYZLKJPRX-RRMDADRESA-N 1 2 373.272 2.843 20 5 FFBDLO O=C(NC1CC1)[C@@H]1CCC[N@H+]1Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602442967 521348178 /nfs/dbraw/zinc/34/81/78/521348178.db2.gz DGQVPWKQWBLIKY-ZDUSSCGKSA-N 1 2 357.332 2.857 20 5 FFBDLO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602442967 521348184 /nfs/dbraw/zinc/34/81/84/521348184.db2.gz DGQVPWKQWBLIKY-ZDUSSCGKSA-N 1 2 357.332 2.857 20 5 FFBDLO CSc1cccc(C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000594099529 521403105 /nfs/dbraw/zinc/40/31/05/521403105.db2.gz RMWBFXSSPOQPRF-UPJWGTAASA-N 1 2 367.471 2.544 20 5 FFBDLO CSc1cccc(C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000594099529 521403111 /nfs/dbraw/zinc/40/31/11/521403111.db2.gz RMWBFXSSPOQPRF-UPJWGTAASA-N 1 2 367.471 2.544 20 5 FFBDLO COC(=O)C1C[C@@H](C)[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H](C)C1 ZINC000599705053 521417259 /nfs/dbraw/zinc/41/72/59/521417259.db2.gz GOZMYXBCJMGLNS-VXGBXAGGSA-N 1 2 374.397 2.807 20 5 FFBDLO C[C@@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)c1nnc2n1CCC2 ZINC000602601426 521433120 /nfs/dbraw/zinc/43/31/20/521433120.db2.gz LPVCFMUKLUNGMK-SSDOTTSWSA-N 1 2 372.248 2.807 20 5 FFBDLO CCOC(=O)CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)C ZINC000594192768 521458885 /nfs/dbraw/zinc/45/88/85/521458885.db2.gz MICOLFMWXPTJSM-UHFFFAOYSA-N 1 2 374.397 2.584 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH+]2CC(Cc3ccccc3)C2)cc1 ZINC000612110377 521486684 /nfs/dbraw/zinc/48/66/84/521486684.db2.gz HYPZUAORMBCQMX-UHFFFAOYSA-N 1 2 360.435 2.543 20 5 FFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C(=O)N2CCCC2)CC1 ZINC000615833459 521551361 /nfs/dbraw/zinc/55/13/61/521551361.db2.gz KACJVQLEFZJWTN-SSZFMOIBSA-N 1 2 358.442 2.832 20 5 FFBDLO C[C@H](C(=O)NCC1CC[NH+](CC(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000594360921 521574201 /nfs/dbraw/zinc/57/42/01/521574201.db2.gz ANEVMEDYCYIUCH-LBPRGKRZSA-N 1 2 355.385 2.792 20 5 FFBDLO CCOc1ccc(N2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)nn1 ZINC000597243359 521593151 /nfs/dbraw/zinc/59/31/51/521593151.db2.gz NTTWMEXKSYGCHJ-ALCCZGGFSA-N 1 2 369.425 2.619 20 5 FFBDLO CCc1ccccc1NC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000014195260 535949186 /nfs/dbraw/zinc/94/91/86/535949186.db2.gz QWWFVVAROSTNGX-UHFFFAOYSA-N 1 2 368.437 2.918 20 5 FFBDLO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NCc1ccccc1-n1cc[nH+]c1 ZINC000826497519 608383359 /nfs/dbraw/zinc/38/33/59/608383359.db2.gz JXHPPBVTJRBTKS-UHFFFAOYSA-N 1 2 362.353 2.573 20 5 FFBDLO CCS[C@@H]1CCCC[N@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000153104361 728772464 /nfs/dbraw/zinc/77/24/64/728772464.db2.gz UNLMPICFJKDNGP-CYBMUJFWSA-N 1 2 363.439 2.756 20 5 FFBDLO CCS[C@@H]1CCCC[N@@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000153104361 728772465 /nfs/dbraw/zinc/77/24/65/728772465.db2.gz UNLMPICFJKDNGP-CYBMUJFWSA-N 1 2 363.439 2.756 20 5 FFBDLO O=[N+]([O-])c1ccc(Cl)cc1CN1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000746670295 735503637 /nfs/dbraw/zinc/50/36/37/735503637.db2.gz FNSAMKPFASDTGY-MRXNPFEDSA-N 1 2 353.850 2.935 20 5 FFBDLO CNC(=O)CC1CC[NH+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CC1 ZINC000074723615 728239369 /nfs/dbraw/zinc/23/93/69/728239369.db2.gz SPPQJBCVNQVPIH-UHFFFAOYSA-N 1 2 364.427 2.678 20 5 FFBDLO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC000194332990 729507438 /nfs/dbraw/zinc/50/74/38/729507438.db2.gz MKYNGVSBSOEVOF-UHFFFAOYSA-N 1 2 363.326 2.687 20 5 FFBDLO O=[N+]([O-])c1c2cccnc2ccc1N1CC[NH+](Cc2cncs2)CC1 ZINC000894852817 734927776 /nfs/dbraw/zinc/92/77/76/734927776.db2.gz YUBACRWRFUTIOP-UHFFFAOYSA-N 1 2 355.423 2.922 20 5 FFBDLO Cc1ccc(N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)c([N+](=O)[O-])c1Br ZINC000895246306 734980490 /nfs/dbraw/zinc/98/04/90/734980490.db2.gz MWCVBCVQPKMANI-AAEUAGOBSA-N 1 2 371.279 2.712 20 5 FFBDLO Cc1ccc(N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)c([N+](=O)[O-])c1Br ZINC000895246306 734980493 /nfs/dbraw/zinc/98/04/93/734980493.db2.gz MWCVBCVQPKMANI-AAEUAGOBSA-N 1 2 371.279 2.712 20 5 FFBDLO O=C(C[NH+]1CCC([C@@H]2CCOC2)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000784343505 738881138 /nfs/dbraw/zinc/88/11/38/738881138.db2.gz HBEZJLRXFVUFPG-CYBMUJFWSA-N 1 2 367.833 2.935 20 5 FFBDLO C[C@H](OC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000741146544 735119908 /nfs/dbraw/zinc/11/99/08/735119908.db2.gz LZGWVQDGXZJOMZ-IINYFYTJSA-N 1 2 369.805 2.603 20 5 FFBDLO C[C@H](OC(=O)[C@H]1CCCC[N@H+]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000741146544 735119910 /nfs/dbraw/zinc/11/99/10/735119910.db2.gz LZGWVQDGXZJOMZ-IINYFYTJSA-N 1 2 369.805 2.603 20 5 FFBDLO COC(=O)C[C@@H]1C[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C[C@H]1C ZINC000905712342 736387366 /nfs/dbraw/zinc/38/73/66/736387366.db2.gz OKQQHMOGYYMOFY-ZYHUDNBSSA-N 1 2 366.805 2.686 20 5 FFBDLO COC(=O)C[C@@H]1C[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C[C@H]1C ZINC000905712342 736387371 /nfs/dbraw/zinc/38/73/71/736387371.db2.gz OKQQHMOGYYMOFY-ZYHUDNBSSA-N 1 2 366.805 2.686 20 5 FFBDLO Cc1ccc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C)o2)cc1[N+](=O)[O-] ZINC000775549416 738101129 /nfs/dbraw/zinc/10/11/29/738101129.db2.gz NHRGIVMOSSIJRR-LBPRGKRZSA-N 1 2 367.427 2.597 20 5 FFBDLO O=C(C[N@@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000931913297 739351803 /nfs/dbraw/zinc/35/18/03/739351803.db2.gz HVNKBCZMXZKVRW-ZDUSSCGKSA-N 1 2 361.295 2.900 20 5 FFBDLO O=C(C[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000931913297 739351809 /nfs/dbraw/zinc/35/18/09/739351809.db2.gz HVNKBCZMXZKVRW-ZDUSSCGKSA-N 1 2 361.295 2.900 20 5 FFBDLO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000790643248 739479327 /nfs/dbraw/zinc/47/93/27/739479327.db2.gz KSXDGDJSIOBTIU-GFCCVEGCSA-N 1 2 366.780 2.990 20 5 FFBDLO CCOc1cc(C[N@@H+]2CCOC[C@H]2C[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000933664985 739669340 /nfs/dbraw/zinc/66/93/40/739669340.db2.gz HYVLACBPDQMTHD-JKSUJKDBSA-N 1 2 350.415 2.621 20 5 FFBDLO CCOc1cc(C[N@H+]2CCOC[C@H]2C[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000933664985 739669341 /nfs/dbraw/zinc/66/93/41/739669341.db2.gz HYVLACBPDQMTHD-JKSUJKDBSA-N 1 2 350.415 2.621 20 5 FFBDLO O=C(NC[C@@H]1CC1(Cl)Cl)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000822411577 742729643 /nfs/dbraw/zinc/72/96/43/742729643.db2.gz MXQCJKXWCLEEOR-JTQLQIEISA-N 1 2 355.181 2.704 20 5 FFBDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000823084216 742829359 /nfs/dbraw/zinc/82/93/59/742829359.db2.gz PRAASKFSRJCEGY-CQSZACIVSA-N 1 2 351.422 2.866 20 5 FFBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000824270261 743047607 /nfs/dbraw/zinc/04/76/07/743047607.db2.gz KUJBPDWQXNUXII-UPJWGTAASA-N 1 2 367.471 2.544 20 5 FFBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000824270261 743047612 /nfs/dbraw/zinc/04/76/12/743047612.db2.gz KUJBPDWQXNUXII-UPJWGTAASA-N 1 2 367.471 2.544 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)C(C)(C)CO ZINC000824672987 743126221 /nfs/dbraw/zinc/12/62/21/743126221.db2.gz MCLDNGWPYSBBMN-CQSZACIVSA-N 1 2 352.822 2.831 20 5 FFBDLO C[C@@H](c1nc(N)nc(Cl)n1)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831538556 745544388 /nfs/dbraw/zinc/54/43/88/745544388.db2.gz DUXPYMNIWHLMPE-CMPLNLGQSA-N 1 2 362.821 2.956 20 5 FFBDLO C[C@@H](c1nc(N)nc(Cl)n1)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831538556 745544391 /nfs/dbraw/zinc/54/43/91/745544391.db2.gz DUXPYMNIWHLMPE-CMPLNLGQSA-N 1 2 362.821 2.956 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1Cl ZINC000836779308 746304304 /nfs/dbraw/zinc/30/43/04/746304304.db2.gz DYFAHIHFQUQVJS-GFCCVEGCSA-N 1 2 360.801 2.960 20 5 FFBDLO COc1cc(C[N@H+](C)CCNC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1F ZINC000839134984 746784496 /nfs/dbraw/zinc/78/44/96/746784496.db2.gz DKFHKLKJPSOTEM-UHFFFAOYSA-N 1 2 357.382 2.699 20 5 FFBDLO COc1cc(C[N@@H+](C)CCNC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1F ZINC000839134984 746784497 /nfs/dbraw/zinc/78/44/97/746784497.db2.gz DKFHKLKJPSOTEM-UHFFFAOYSA-N 1 2 357.382 2.699 20 5 FFBDLO O=C(C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839595945 746866942 /nfs/dbraw/zinc/86/69/42/746866942.db2.gz PFLKVSNKTIUXMU-GJZGRUSLSA-N 1 2 353.806 2.830 20 5 FFBDLO O=C(C[N@H+]1CCC[C@H]1[C@@H]1CCCO1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839595945 746866949 /nfs/dbraw/zinc/86/69/49/746866949.db2.gz PFLKVSNKTIUXMU-GJZGRUSLSA-N 1 2 353.806 2.830 20 5 FFBDLO CN(CCC[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000839657579 746883356 /nfs/dbraw/zinc/88/33/56/746883356.db2.gz MLMHVVIANCFMLM-UHFFFAOYSA-N 1 2 353.419 2.989 20 5 FFBDLO CN(CCC[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000839657579 746883359 /nfs/dbraw/zinc/88/33/59/746883359.db2.gz MLMHVVIANCFMLM-UHFFFAOYSA-N 1 2 353.419 2.989 20 5 FFBDLO Cc1noc(C[N@@H+](C)[C@H](CNC(=O)OC(C)(C)C)C2CC2)c1[N+](=O)[O-] ZINC000851946353 749733244 /nfs/dbraw/zinc/73/32/44/749733244.db2.gz MLDOKPJCNNYLLS-GFCCVEGCSA-N 1 2 354.407 2.626 20 5 FFBDLO Cc1noc(C[N@H+](C)[C@H](CNC(=O)OC(C)(C)C)C2CC2)c1[N+](=O)[O-] ZINC000851946353 749733250 /nfs/dbraw/zinc/73/32/50/749733250.db2.gz MLDOKPJCNNYLLS-GFCCVEGCSA-N 1 2 354.407 2.626 20 5 FFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000852503086 749877727 /nfs/dbraw/zinc/87/77/27/749877727.db2.gz QNFKWRCZYQUSOU-APPDUMDISA-N 1 2 367.833 2.812 20 5 FFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000852503086 749877735 /nfs/dbraw/zinc/87/77/35/749877735.db2.gz QNFKWRCZYQUSOU-APPDUMDISA-N 1 2 367.833 2.812 20 5 FFBDLO COC(=O)[C@H](CC1CCOCC1)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000895592255 970775042 /nfs/dbraw/zinc/77/50/42/970775042.db2.gz SHIQVSOZDWFLGL-YOEHRIQHSA-N 1 2 364.442 2.864 20 5 FFBDLO C[C@@H](C1CC1)N(C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000051233161 964423212 /nfs/dbraw/zinc/42/32/12/964423212.db2.gz ZAPLIAKYPTXAMV-HNNXBMFYSA-N 1 2 372.469 2.506 20 5 FFBDLO Cc1ccc(CNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000876172437 1014157762 /nfs/dbraw/zinc/15/77/62/1014157762.db2.gz VTJAJPYKWCGLTC-YOEHRIQHSA-N 1 2 357.414 2.892 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCN(C(=O)c2cccn2C)CC1 ZINC000876555618 1014303754 /nfs/dbraw/zinc/30/37/54/1014303754.db2.gz BQTQCOJOZYRIKR-UHFFFAOYSA-N 1 2 356.426 2.508 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CC[C@@H](C2CC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000897509981 981374830 /nfs/dbraw/zinc/37/48/30/981374830.db2.gz HXCYMOSEOGPSOU-OKZBNKHCSA-N 1 2 356.426 2.965 20 5 FFBDLO CC(=O)N1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC12CCCCC2 ZINC000765703502 985318364 /nfs/dbraw/zinc/31/83/64/985318364.db2.gz FNWCGUZQOJTGNB-UHFFFAOYSA-N 1 2 371.441 2.769 20 5 FFBDLO CC(=O)N1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC12CCCCC2 ZINC000765703502 985318376 /nfs/dbraw/zinc/31/83/76/985318376.db2.gz FNWCGUZQOJTGNB-UHFFFAOYSA-N 1 2 371.441 2.769 20 5 FFBDLO CN(CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1[N+](=O)[O-] ZINC000173867272 986005796 /nfs/dbraw/zinc/00/57/96/986005796.db2.gz QNQRQSRNCVSJRH-UHFFFAOYSA-N 1 2 365.393 2.533 20 5 FFBDLO O=[N+]([O-])c1cc2c(cc1C[NH2+]Cc1nccc3c1CCCC3)OCCO2 ZINC000922465851 988620738 /nfs/dbraw/zinc/62/07/38/988620738.db2.gz FEGXUVVHFDIOIM-UHFFFAOYSA-N 1 2 355.394 2.930 20 5 FFBDLO C[C@@H](C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000373061783 990714209 /nfs/dbraw/zinc/71/42/09/990714209.db2.gz YUEDBYBGXNTSIH-CHWSQXEVSA-N 1 2 360.389 2.977 20 5 FFBDLO Cc1cc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c(N)c([N+](=O)[O-])c1 ZINC000068552105 991467510 /nfs/dbraw/zinc/46/75/10/991467510.db2.gz FTEFPBHCVMGEPV-UHFFFAOYSA-N 1 2 369.356 2.740 20 5 FFBDLO O=[N+]([O-])c1cc(-c2nc(-c3ccc4n[nH]nc4c3)no2)ccc1-n1cc[nH+]c1 ZINC000813339572 995669265 /nfs/dbraw/zinc/66/92/65/995669265.db2.gz QFQPJPIXEWAKTI-UHFFFAOYSA-N 1 2 374.320 2.769 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000825105671 997199093 /nfs/dbraw/zinc/19/90/93/997199093.db2.gz OGOPENYFKPSNJG-UHFFFAOYSA-N 1 2 368.437 2.607 20 5 FFBDLO C[C@@H](CC(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)n1cc[nH+]c1 ZINC000845281058 998462169 /nfs/dbraw/zinc/46/21/69/998462169.db2.gz YQTHUNGOWRMMGY-NSHDSACASA-N 1 2 357.326 2.536 20 5 FFBDLO COc1cc(COC(=O)[C@@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000741147581 999711725 /nfs/dbraw/zinc/71/17/25/999711725.db2.gz VNJPFFBPQFKEND-NSHDSACASA-N 1 2 374.340 2.732 20 5 FFBDLO COc1cc(COC(=O)[C@@H]2CCCC[N@H+]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000741147581 999711728 /nfs/dbraw/zinc/71/17/28/999711728.db2.gz VNJPFFBPQFKEND-NSHDSACASA-N 1 2 374.340 2.732 20 5 FFBDLO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1nc(Cc2ccccc2)no1 ZINC000743463729 999820233 /nfs/dbraw/zinc/82/02/33/999820233.db2.gz QUQOTMADHRSDNE-GUYCJALGSA-N 1 2 368.393 2.953 20 5 FFBDLO C[C@@H](OC(C)(C)C)[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC001168958533 1000012834 /nfs/dbraw/zinc/01/28/34/1000012834.db2.gz OBJVGUZQLHGQLI-TUVASFSCSA-N 1 2 358.479 2.935 20 5 FFBDLO O=C(Nc1ccccn1)[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000768347870 1000233024 /nfs/dbraw/zinc/23/30/24/1000233024.db2.gz WGMLHSMXTVQELF-ZDUSSCGKSA-N 1 2 356.382 2.546 20 5 FFBDLO O=C(Nc1ccccn1)[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000768347870 1000233027 /nfs/dbraw/zinc/23/30/27/1000233027.db2.gz WGMLHSMXTVQELF-ZDUSSCGKSA-N 1 2 356.382 2.546 20 5 FFBDLO COC(=O)COc1ccc(CNc2ccc([NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000788964028 1001923427 /nfs/dbraw/zinc/92/34/27/1001923427.db2.gz CECZAQSMAQDHDI-UHFFFAOYSA-N 1 2 359.382 2.825 20 5 FFBDLO COc1c(O)ccc(C[NH2+][C@H](c2ccccc2F)[C@H](C)O)c1[N+](=O)[O-] ZINC001182703112 1002019901 /nfs/dbraw/zinc/01/99/01/1002019901.db2.gz GXEAJEYESDCXDG-BONVTDFDSA-N 1 2 350.346 2.660 20 5 FFBDLO COCc1cnc2n1CC[N@H+]([C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])[C@H]2C ZINC001170341396 1003129904 /nfs/dbraw/zinc/12/99/04/1003129904.db2.gz QCZHHRXIVVVQCV-KBPBESRZSA-N 1 2 374.441 2.954 20 5 FFBDLO COCc1cnc2n1CC[N@@H+]([C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])[C@H]2C ZINC001170341396 1003129909 /nfs/dbraw/zinc/12/99/09/1003129909.db2.gz QCZHHRXIVVVQCV-KBPBESRZSA-N 1 2 374.441 2.954 20 5 FFBDLO Cc1cc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c(N)c([N+](=O)[O-])c1 ZINC000104853598 1004835004 /nfs/dbraw/zinc/83/50/04/1004835004.db2.gz FGVSDOWAXOTJKO-UHFFFAOYSA-N 1 2 369.425 2.801 20 5 FFBDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776585647 1005976638 /nfs/dbraw/zinc/97/66/38/1005976638.db2.gz YVBBFBZSIKDOPQ-MOPGFXCFSA-N 1 2 372.421 2.734 20 5 FFBDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776585647 1005976639 /nfs/dbraw/zinc/97/66/39/1005976639.db2.gz YVBBFBZSIKDOPQ-MOPGFXCFSA-N 1 2 372.421 2.734 20 5 FFBDLO CC(C)(C)C(=O)N1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000776605280 1006088915 /nfs/dbraw/zinc/08/89/15/1006088915.db2.gz JWRYNACAOXCPGF-MRXNPFEDSA-N 1 2 363.458 2.597 20 5 FFBDLO CC(C)(C)C(=O)N1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000776605280 1006088929 /nfs/dbraw/zinc/08/89/29/1006088929.db2.gz JWRYNACAOXCPGF-MRXNPFEDSA-N 1 2 363.458 2.597 20 5 FFBDLO COC(=O)NC1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000852767112 1006174009 /nfs/dbraw/zinc/17/40/09/1006174009.db2.gz KEIXPLSWNLXHGP-UHFFFAOYSA-N 1 2 360.370 2.570 20 5 FFBDLO CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@H]1CCCOC1 ZINC000882463856 1006407296 /nfs/dbraw/zinc/40/72/96/1006407296.db2.gz MEEMULGWXVGBMF-LSDHHAIUSA-N 1 2 358.398 2.716 20 5 FFBDLO CC1(C)CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)O1 ZINC001134792381 1006482209 /nfs/dbraw/zinc/48/22/09/1006482209.db2.gz KDGHSYSFHTWYBA-CQSZACIVSA-N 1 2 358.398 2.858 20 5 FFBDLO Cc1ccccc1[C@H](O)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000112396393 1006910847 /nfs/dbraw/zinc/91/08/47/1006910847.db2.gz ZFVSOMIXLRVGPV-GOSISDBHSA-N 1 2 366.377 2.552 20 5 FFBDLO O=C(N[C@H]1CCn2c[nH+]cc21)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000857989268 1008271064 /nfs/dbraw/zinc/27/10/64/1008271064.db2.gz GLEWIQVUOQGAHR-HNNXBMFYSA-N 1 2 355.398 2.656 20 5 FFBDLO C[C@@H](C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)NC(=O)OC(C)(C)C ZINC000860095629 1008828083 /nfs/dbraw/zinc/82/80/83/1008828083.db2.gz HKHQJEQQXFVBDH-NSHDSACASA-N 1 2 363.418 2.816 20 5 FFBDLO C[C@@H](C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)NC(=O)OC(C)(C)C ZINC000860095629 1008828094 /nfs/dbraw/zinc/82/80/94/1008828094.db2.gz HKHQJEQQXFVBDH-NSHDSACASA-N 1 2 363.418 2.816 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@](CO)(C(F)(F)F)C3)co2)cc1 ZINC000886808748 1008888200 /nfs/dbraw/zinc/88/82/00/1008888200.db2.gz OUEQMQMYENFKIK-HNNXBMFYSA-N 1 2 371.315 2.997 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@](CO)(C(F)(F)F)C3)co2)cc1 ZINC000886808748 1008888210 /nfs/dbraw/zinc/88/82/10/1008888210.db2.gz OUEQMQMYENFKIK-HNNXBMFYSA-N 1 2 371.315 2.997 20 5 FFBDLO Cc1nn(C[NH+]2CCC(Cc3nc(C4CCC4)no3)CC2)cc1[N+](=O)[O-] ZINC000863316844 1010172647 /nfs/dbraw/zinc/17/26/47/1010172647.db2.gz STWQEQIDQLUZDN-UHFFFAOYSA-N 1 2 360.418 2.662 20 5 FFBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[NH2+]C1(c2ccccc2)CCOCC1 ZINC000794640275 1010436806 /nfs/dbraw/zinc/43/68/06/1010436806.db2.gz PWWSTZMGFMAOKY-UHFFFAOYSA-N 1 2 369.377 2.756 20 5 FFBDLO COc1cccc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC[NH2+]2)c1 ZINC000870148149 1012205123 /nfs/dbraw/zinc/20/51/23/1012205123.db2.gz XWSDXPVPJOBHNV-KRWDZBQOSA-N 1 2 355.394 2.699 20 5 FFBDLO CCC[N@H+](CC(=O)OCC)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173194891 1012339070 /nfs/dbraw/zinc/33/90/70/1012339070.db2.gz ASKHCFFKQHBWQV-LBPRGKRZSA-N 1 2 356.394 2.949 20 5 FFBDLO CCC[N@@H+](CC(=O)OCC)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173194891 1012339085 /nfs/dbraw/zinc/33/90/85/1012339085.db2.gz ASKHCFFKQHBWQV-LBPRGKRZSA-N 1 2 356.394 2.949 20 5 FFBDLO C[C@@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000925242166 1017674566 /nfs/dbraw/zinc/67/45/66/1017674566.db2.gz WWDNRVIAFJHVRG-CXAGYDPISA-N 1 2 356.382 2.914 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CCC[C@H](C(F)(F)F)O3)CC2)cn1 ZINC000929171966 1019303518 /nfs/dbraw/zinc/30/35/18/1019303518.db2.gz RRMPOMDNPUMAGN-UONOGXRCSA-N 1 2 374.363 2.612 20 5 FFBDLO Cc1ccccc1[C@H]1CC[N@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000725780973 1020258457 /nfs/dbraw/zinc/25/84/57/1020258457.db2.gz WWYSPTUYWOXVCJ-AWEZNQCLSA-N 1 2 365.389 2.946 20 5 FFBDLO Cc1ccccc1[C@H]1CC[N@@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000725780973 1020258459 /nfs/dbraw/zinc/25/84/59/1020258459.db2.gz WWYSPTUYWOXVCJ-AWEZNQCLSA-N 1 2 365.389 2.946 20 5 FFBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c1 ZINC000726591964 1020491122 /nfs/dbraw/zinc/49/11/22/1020491122.db2.gz JKJOUTUIIFPJGF-ZDUSSCGKSA-N 1 2 372.360 2.818 20 5 FFBDLO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c1 ZINC000726591964 1020491126 /nfs/dbraw/zinc/49/11/26/1020491126.db2.gz JKJOUTUIIFPJGF-ZDUSSCGKSA-N 1 2 372.360 2.818 20 5 FFBDLO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000935713667 1021836532 /nfs/dbraw/zinc/83/65/32/1021836532.db2.gz NBIHUPXSHYWAFJ-FGTMMUONSA-N 1 2 353.378 2.773 20 5 FFBDLO C[C@@H]1CN(c2ccccc2F)CC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000191620849 1023881896 /nfs/dbraw/zinc/88/18/96/1023881896.db2.gz ITIZMWRAIZWTMY-CYBMUJFWSA-N 1 2 372.400 2.544 20 5 FFBDLO C[C@@H]1CN(c2ccccc2F)CC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000191620849 1023881908 /nfs/dbraw/zinc/88/19/08/1023881908.db2.gz ITIZMWRAIZWTMY-CYBMUJFWSA-N 1 2 372.400 2.544 20 5 FFBDLO COc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c1 ZINC001124183430 1024308331 /nfs/dbraw/zinc/30/83/31/1024308331.db2.gz GYCMSXQCOQQHIF-UHFFFAOYSA-N 1 2 352.350 2.719 20 5 FFBDLO CCc1noc([C@@H](C)OC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC000838103155 1026210199 /nfs/dbraw/zinc/21/01/99/1026210199.db2.gz FIIOACHYOMPDBF-SNVBAGLBSA-N 1 2 357.326 2.644 20 5 FFBDLO CC(C)N(C(=O)COC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)C ZINC000838102593 1026210668 /nfs/dbraw/zinc/21/06/68/1026210668.db2.gz UBOQMIRSARLIEM-UHFFFAOYSA-N 1 2 374.397 2.583 20 5 FFBDLO C[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000839646350 1026772708 /nfs/dbraw/zinc/77/27/08/1026772708.db2.gz IGNVDPJUTZBBEK-UZLBHIALSA-N 1 2 355.438 2.835 20 5 FFBDLO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000839646350 1026772715 /nfs/dbraw/zinc/77/27/15/1026772715.db2.gz IGNVDPJUTZBBEK-UZLBHIALSA-N 1 2 355.438 2.835 20 5 FFBDLO Cc1nn(C[N@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)c(C)c1[N+](=O)[O-] ZINC000840119659 1026965905 /nfs/dbraw/zinc/96/59/05/1026965905.db2.gz RZQFPVLQNGWBKR-UHFFFAOYSA-N 1 2 359.434 2.717 20 5 FFBDLO Cc1nn(C[N@@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)c(C)c1[N+](=O)[O-] ZINC000840119659 1026965915 /nfs/dbraw/zinc/96/59/15/1026965915.db2.gz RZQFPVLQNGWBKR-UHFFFAOYSA-N 1 2 359.434 2.717 20 5 FFBDLO C[C@@H](C(=O)NCCCN(C)c1cccc[nH+]1)c1ccc([N+](=O)[O-])cc1F ZINC001153114064 1027774948 /nfs/dbraw/zinc/77/49/48/1027774948.db2.gz PHYUWWMSOWJXMG-CYBMUJFWSA-N 1 2 360.389 2.875 20 5 FFBDLO O=[N+]([O-])c1cc(NC2CN(c3cccc[nH+]3)C2)c2ncnc(Cl)c2c1 ZINC001161325546 1028132253 /nfs/dbraw/zinc/13/22/53/1028132253.db2.gz FINJNJHLLRYEPI-UHFFFAOYSA-N 1 2 356.773 2.887 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@](C)(O)c1ccsc1)c1ccc([N+](=O)[O-])cc1 ZINC000780765335 1028798924 /nfs/dbraw/zinc/79/89/24/1028798924.db2.gz YHRNWOUUTXUSJV-AEFFLSMTSA-N 1 2 372.450 2.977 20 5 FFBDLO C[NH+](C)Cc1nc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)co1 ZINC001157163957 1029487881 /nfs/dbraw/zinc/48/78/81/1029487881.db2.gz QIUNXJMYWOMQGI-UHFFFAOYSA-N 1 2 360.395 2.789 20 5 FFBDLO NC(Cc1cccc(F)c1)=[NH+]OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000783149755 1029927715 /nfs/dbraw/zinc/92/77/15/1029927715.db2.gz UHPJXSWZPROEDP-UHFFFAOYSA-N 1 2 361.329 2.842 20 5 FFBDLO Cc1nn(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000797418305 1031106171 /nfs/dbraw/zinc/10/61/71/1031106171.db2.gz ROJRGAZPRYURHM-CKFHNAJUSA-N 1 2 374.441 2.869 20 5 FFBDLO Cc1nn(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000797418305 1031106179 /nfs/dbraw/zinc/10/61/79/1031106179.db2.gz ROJRGAZPRYURHM-CKFHNAJUSA-N 1 2 374.441 2.869 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000798216491 1031339848 /nfs/dbraw/zinc/33/98/48/1031339848.db2.gz QIBGTMFJIRUZCX-UHFFFAOYSA-N 1 2 353.338 2.574 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC000799197686 1031694660 /nfs/dbraw/zinc/69/46/60/1031694660.db2.gz ZWDZRZNUHFCRLN-CQSZACIVSA-N 1 2 370.409 2.817 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC000799197686 1031694663 /nfs/dbraw/zinc/69/46/63/1031694663.db2.gz ZWDZRZNUHFCRLN-CQSZACIVSA-N 1 2 370.409 2.817 20 5 FFBDLO C[NH+](C)Cc1csc(CNC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)n1 ZINC001205644038 1031900693 /nfs/dbraw/zinc/90/06/93/1031900693.db2.gz CHAVLBYDNQXIIO-UHFFFAOYSA-N 1 2 353.379 2.574 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(O[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC001227062225 1034925069 /nfs/dbraw/zinc/92/50/69/1034925069.db2.gz JNQKCUZYJZWXFP-YJBOKZPZSA-N 1 2 357.410 2.967 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(O[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC001227062225 1034925073 /nfs/dbraw/zinc/92/50/73/1034925073.db2.gz JNQKCUZYJZWXFP-YJBOKZPZSA-N 1 2 357.410 2.967 20 5 FFBDLO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232226747 1035505020 /nfs/dbraw/zinc/50/50/20/1035505020.db2.gz YBWBIYWYHLKGNT-KRWDZBQOSA-N 1 2 355.463 2.792 20 5 FFBDLO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232226747 1035505022 /nfs/dbraw/zinc/50/50/22/1035505022.db2.gz YBWBIYWYHLKGNT-KRWDZBQOSA-N 1 2 355.463 2.792 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001536342498 1069957066 /nfs/dbraw/zinc/95/70/66/1069957066.db2.gz LZFDGWPJJKAYAX-QGZVFWFLSA-N 1 2 366.377 2.971 20 5 FFBDLO Cc1ccnc([N+](=O)[O-])c1O[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001233557346 1036680354 /nfs/dbraw/zinc/68/03/54/1036680354.db2.gz SWUANUUPMUQJFK-DOTOQJQBSA-N 1 2 357.410 2.967 20 5 FFBDLO Cc1ccnc([N+](=O)[O-])c1O[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001233557346 1036680364 /nfs/dbraw/zinc/68/03/64/1036680364.db2.gz SWUANUUPMUQJFK-DOTOQJQBSA-N 1 2 357.410 2.967 20 5 FFBDLO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2[NH2+]CCc3cc(F)ccc32)n1 ZINC001249196385 1040621550 /nfs/dbraw/zinc/62/15/50/1040621550.db2.gz XRTLXROFEIQEIN-CYBMUJFWSA-N 1 2 359.292 2.553 20 5 FFBDLO CCOC(=O)c1ncn2c1C[N@@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])CCC2 ZINC001254550846 1040792398 /nfs/dbraw/zinc/79/23/98/1040792398.db2.gz SCFCHYDIOVBHIQ-AWEZNQCLSA-N 1 2 372.425 2.805 20 5 FFBDLO CCOC(=O)c1ncn2c1C[N@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])CCC2 ZINC001254550846 1040792415 /nfs/dbraw/zinc/79/24/15/1040792415.db2.gz SCFCHYDIOVBHIQ-AWEZNQCLSA-N 1 2 372.425 2.805 20 5 FFBDLO CC(C)(C)OC(=O)N1CC2(CC[N@@H+]2[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254595746 1040825535 /nfs/dbraw/zinc/82/55/35/1040825535.db2.gz ZIHGYOWNWKWJLK-INIZCTEOSA-N 1 2 359.426 2.757 20 5 FFBDLO CC(C)(C)OC(=O)N1CC2(CC[N@H+]2[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254595746 1040825549 /nfs/dbraw/zinc/82/55/49/1040825549.db2.gz ZIHGYOWNWKWJLK-INIZCTEOSA-N 1 2 359.426 2.757 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@H](S(=O)(=O)c3ccccc3)C1)C2 ZINC001254602314 1040831487 /nfs/dbraw/zinc/83/14/87/1040831487.db2.gz DBDXBIZVZCQSRU-MJGOQNOKSA-N 1 2 372.446 2.610 20 5 FFBDLO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@H](S(=O)(=O)c3ccccc3)C1)C2 ZINC001254602314 1040831497 /nfs/dbraw/zinc/83/14/97/1040831497.db2.gz DBDXBIZVZCQSRU-MJGOQNOKSA-N 1 2 372.446 2.610 20 5 FFBDLO O=[N+]([O-])c1ccc(F)c(Nc2ccc(N3CCC(O)CC3)[nH+]c2)c1F ZINC001215287370 1041725232 /nfs/dbraw/zinc/72/52/32/1041725232.db2.gz LRWJAHCLIHIFML-UHFFFAOYSA-N 1 2 350.325 2.973 20 5 FFBDLO O=C(CCc1cc(F)ccc1[N+](=O)[O-])OCCc1cn2c([nH+]1)CCCC2 ZINC001263500820 1042345333 /nfs/dbraw/zinc/34/53/33/1042345333.db2.gz WAZJJINPQQJRFA-UHFFFAOYSA-N 1 2 361.373 2.985 20 5 FFBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC001310800809 1043742937 /nfs/dbraw/zinc/74/29/37/1043742937.db2.gz KBFAXFGKOXVQAS-NWDGAFQWSA-N 1 2 370.837 2.787 20 5 FFBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC001297051460 1050115595 /nfs/dbraw/zinc/11/55/95/1050115595.db2.gz RGSKRYNUMBYHCC-CYBMUJFWSA-N 1 2 371.441 2.991 20 5 FFBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC001297051460 1050115599 /nfs/dbraw/zinc/11/55/99/1050115599.db2.gz RGSKRYNUMBYHCC-CYBMUJFWSA-N 1 2 371.441 2.991 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1ncccn1 ZINC001301122962 1050818442 /nfs/dbraw/zinc/81/84/42/1050818442.db2.gz WJWKIFGJIQGHPL-OAHLLOKOSA-N 1 2 364.365 2.548 20 5 FFBDLO Cc1nn(C)c(C(=O)N2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)c1[N+](=O)[O-] ZINC001347536640 1054082546 /nfs/dbraw/zinc/08/25/46/1054082546.db2.gz RIPVPLCOFQEYIM-CYBMUJFWSA-N 1 2 374.445 2.608 20 5 FFBDLO Cc1cc(C)c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(C)[nH+]1 ZINC001348027271 1054572651 /nfs/dbraw/zinc/57/26/51/1054572651.db2.gz ZZWRETMOSBNCSN-UHFFFAOYSA-N 1 2 354.410 2.877 20 5 FFBDLO C[C@H](NC(=O)N1CCC(c2c[nH+]cn2C)CC1)c1ccccc1[N+](=O)[O-] ZINC001357811625 1056023034 /nfs/dbraw/zinc/02/30/34/1056023034.db2.gz LKOQLDTWKRTHIW-ZDUSSCGKSA-N 1 2 357.414 2.979 20 5 FFBDLO CCOc1ccc(C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)cc1[N+](=O)[O-] ZINC001544703704 1071680270 /nfs/dbraw/zinc/68/02/70/1071680270.db2.gz GZPXIQNQZVGDQP-KRWDZBQOSA-N 1 2 355.394 2.910 20 5 FFBDLO CCOc1ccc(C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)cc1[N+](=O)[O-] ZINC001544703704 1071680275 /nfs/dbraw/zinc/68/02/75/1071680275.db2.gz GZPXIQNQZVGDQP-KRWDZBQOSA-N 1 2 355.394 2.910 20 5 FFBDLO CC[C@@H](C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCO[C@H](CC)C1 ZINC001445407708 1058400687 /nfs/dbraw/zinc/40/06/87/1058400687.db2.gz BGQVAGSLKYEDKF-SJORKVTESA-N 1 2 363.458 2.836 20 5 FFBDLO CC[C@@H](C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCO[C@H](CC)C1 ZINC001445407708 1058400696 /nfs/dbraw/zinc/40/06/96/1058400696.db2.gz BGQVAGSLKYEDKF-SJORKVTESA-N 1 2 363.458 2.836 20 5 FFBDLO Cc1c[nH+]c(CCNc2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])c(C)c1 ZINC000848756414 1060613406 /nfs/dbraw/zinc/61/34/06/1060613406.db2.gz XEEXEFMDVSPYHK-UHFFFAOYSA-N 1 2 360.370 2.970 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC001460685629 1061062672 /nfs/dbraw/zinc/06/26/72/1061062672.db2.gz JEQQVBFQAPVKDU-CCKFTAQKSA-N 1 2 366.421 2.885 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC001460685629 1061062684 /nfs/dbraw/zinc/06/26/84/1061062684.db2.gz JEQQVBFQAPVKDU-CCKFTAQKSA-N 1 2 366.421 2.885 20 5 FFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2ncccn2)C1 ZINC001460790501 1061104392 /nfs/dbraw/zinc/10/43/92/1061104392.db2.gz GZDRKXTZZRIQCY-ZIAGYGMSSA-N 1 2 355.398 2.591 20 5 FFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](c2ncccn2)C1 ZINC001460790501 1061104399 /nfs/dbraw/zinc/10/43/99/1061104399.db2.gz GZDRKXTZZRIQCY-ZIAGYGMSSA-N 1 2 355.398 2.591 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc(O)c(F)c3F)C2)nc1 ZINC001461869729 1061433067 /nfs/dbraw/zinc/43/30/67/1061433067.db2.gz KNMZYIFJDDIYPF-LLVKDONJSA-N 1 2 350.325 2.660 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc(O)c(F)c3F)C2)nc1 ZINC001461869729 1061433077 /nfs/dbraw/zinc/43/30/77/1061433077.db2.gz KNMZYIFJDDIYPF-LLVKDONJSA-N 1 2 350.325 2.660 20 5 FFBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1ncccc1F ZINC001467627073 1063802190 /nfs/dbraw/zinc/80/21/90/1063802190.db2.gz OWULNUCBVPVKEW-LLVKDONJSA-N 1 2 355.329 2.806 20 5 FFBDLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001469326262 1064128414 /nfs/dbraw/zinc/12/84/14/1064128414.db2.gz IWDNHNWEBRPNPS-AWEZNQCLSA-N 1 2 363.377 2.598 20 5 FFBDLO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC001471702847 1064764779 /nfs/dbraw/zinc/76/47/79/1064764779.db2.gz ZCNUKPSZMXMAFV-IZHJOOQXSA-N 1 2 355.369 2.920 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC001474843704 1065623408 /nfs/dbraw/zinc/62/34/08/1065623408.db2.gz FDVDAYIVJWPABU-UHFFFAOYSA-N 1 2 362.407 2.659 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC001474843704 1065623416 /nfs/dbraw/zinc/62/34/16/1065623416.db2.gz FDVDAYIVJWPABU-UHFFFAOYSA-N 1 2 362.407 2.659 20 5 FFBDLO C[C@H](O)[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC001557677305 1075872950 /nfs/dbraw/zinc/87/29/50/1075872950.db2.gz OISJLDKLVLQHOU-UGSOOPFHSA-N 1 2 366.377 2.632 20 5 FFBDLO O=C(NC1(CO)CCCCCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001557995584 1075923702 /nfs/dbraw/zinc/92/37/02/1075923702.db2.gz NIFDITZYVKMZDE-UHFFFAOYSA-N 1 2 372.425 2.986 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[N@@H+](C)C[C@@H]2CC(C)C)c1C ZINC001561957756 1076453479 /nfs/dbraw/zinc/45/34/79/1076453479.db2.gz NLIWALVUFGFQGN-INIZCTEOSA-N 1 2 369.487 2.562 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[N@H+](C)C[C@@H]2CC(C)C)c1C ZINC001561957756 1076453481 /nfs/dbraw/zinc/45/34/81/1076453481.db2.gz NLIWALVUFGFQGN-INIZCTEOSA-N 1 2 369.487 2.562 20 5 FFBDLO O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001569472409 1077147935 /nfs/dbraw/zinc/14/79/35/1077147935.db2.gz JGNRDODNQQXNJU-GJZGRUSLSA-N 1 2 370.384 2.525 20 5 FFBDLO O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001569472409 1077147939 /nfs/dbraw/zinc/14/79/39/1077147939.db2.gz JGNRDODNQQXNJU-GJZGRUSLSA-N 1 2 370.384 2.525 20 5 FFBDLO CC(C)Cn1cc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)cn1 ZINC001587063934 1079729260 /nfs/dbraw/zinc/72/92/60/1079729260.db2.gz KMQWEDGBCKNLKT-UHFFFAOYSA-N 1 2 354.370 2.885 20 5 FFBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000366625775 512113270 /nfs/dbraw/zinc/11/32/70/512113270.db2.gz KWFLLZMTQWSHND-NSHDSACASA-N 1 2 370.456 2.789 20 5 FFBDLO CCOc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)cc1[N+](=O)[O-] ZINC000033043245 249368164 /nfs/dbraw/zinc/36/81/64/249368164.db2.gz SDXKMYYCQMEXAN-UHFFFAOYSA-N 1 2 367.365 2.504 20 5 FFBDLO O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000054924096 249541362 /nfs/dbraw/zinc/54/13/62/249541362.db2.gz IRCSMHFVSXXSAF-UHFFFAOYSA-N 1 2 354.370 2.506 20 5 FFBDLO O=C(NCCCNc1cccc[nH+]1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272338519 252014521 /nfs/dbraw/zinc/01/45/21/252014521.db2.gz MQQJNDLHCSTXQL-UHFFFAOYSA-N 1 2 350.325 2.700 20 5 FFBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000272604382 252079189 /nfs/dbraw/zinc/07/91/89/252079189.db2.gz SRBNWOKOJVIBHT-CYBMUJFWSA-N 1 2 372.429 2.821 20 5 FFBDLO CCc1nn(C)c(N2CCc3c([nH+]cn3-c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000272903912 252160268 /nfs/dbraw/zinc/16/02/68/252160268.db2.gz IWFNGHCEYNYRHD-UHFFFAOYSA-N 1 2 370.388 2.778 20 5 FFBDLO CCOc1cccc(N2CC[NH+](Cc3c(C)noc3C)CC2)c1[N+](=O)[O-] ZINC000273168445 252237652 /nfs/dbraw/zinc/23/76/52/252237652.db2.gz LWEFQGPNIZCGQY-UHFFFAOYSA-N 1 2 360.414 2.921 20 5 FFBDLO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)c1cccs1 ZINC000276100468 256072823 /nfs/dbraw/zinc/07/28/23/256072823.db2.gz SNERIVALWJZDKD-CYBMUJFWSA-N 1 2 369.468 2.775 20 5 FFBDLO CCc1cc(N2CC[C@H](C)[S@@](=O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000277219669 256173571 /nfs/dbraw/zinc/17/35/71/256173571.db2.gz RMXKOWKHVTYVLD-NRRJATNASA-N 1 2 374.466 2.962 20 5 FFBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000277574607 256212993 /nfs/dbraw/zinc/21/29/93/256212993.db2.gz OCLQBQFWNJOVKT-UHFFFAOYSA-N 1 2 360.414 2.671 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1c(F)cncc1F ZINC000285772799 257004122 /nfs/dbraw/zinc/00/41/22/257004122.db2.gz SFXODMIUXAGXOU-SECBINFHSA-N 1 2 366.324 2.566 20 5 FFBDLO O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000277743798 256234458 /nfs/dbraw/zinc/23/44/58/256234458.db2.gz QIIOXJPFSDRZHR-UHFFFAOYSA-N 1 2 366.381 2.630 20 5 FFBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@H]([C@H](O)C(F)(F)F)C3)nc2c1 ZINC000277869186 256249402 /nfs/dbraw/zinc/24/94/02/256249402.db2.gz UQUJEVJPGSUADL-XPTSAGLGSA-N 1 2 359.304 2.871 20 5 FFBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H]([C@H](O)C(F)(F)F)C3)nc2c1 ZINC000277869186 256249404 /nfs/dbraw/zinc/24/94/04/256249404.db2.gz UQUJEVJPGSUADL-XPTSAGLGSA-N 1 2 359.304 2.871 20 5 FFBDLO CCOC1CC(CNc2ccc([N+](=O)[O-])cc2Cl)([NH+]2CCOCC2)C1 ZINC000278130739 256280268 /nfs/dbraw/zinc/28/02/68/256280268.db2.gz ZJCBRLUOJFHEBG-UHFFFAOYSA-N 1 2 369.849 2.930 20 5 FFBDLO COc1ccc(C[NH2+][C@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)cc1[N+](=O)[O-] ZINC000278663673 256335539 /nfs/dbraw/zinc/33/55/39/256335539.db2.gz GRKHCXRACDBVJA-GFCCVEGCSA-N 1 2 368.397 2.943 20 5 FFBDLO COc1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(OC)c1OC ZINC000278721412 256341459 /nfs/dbraw/zinc/34/14/59/256341459.db2.gz PRWXZRJZYCVPBC-UHFFFAOYSA-N 1 2 372.381 2.787 20 5 FFBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000286876480 257059573 /nfs/dbraw/zinc/05/95/73/257059573.db2.gz HXEZGFQVMSNZKK-YPMHNXCESA-N 1 2 368.821 2.575 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1ccccc1N(C)C ZINC000288756300 257224436 /nfs/dbraw/zinc/22/44/36/257224436.db2.gz GVOSEBVJYVIYSK-UHFFFAOYSA-N 1 2 372.425 2.740 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1ccccc1N(C)C ZINC000288756300 257224437 /nfs/dbraw/zinc/22/44/37/257224437.db2.gz GVOSEBVJYVIYSK-UHFFFAOYSA-N 1 2 372.425 2.740 20 5 FFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000289409102 257279408 /nfs/dbraw/zinc/27/94/08/257279408.db2.gz ADHXNQXVEYPMQC-AAEUAGOBSA-N 1 2 363.805 2.719 20 5 FFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000289409102 257279409 /nfs/dbraw/zinc/27/94/09/257279409.db2.gz ADHXNQXVEYPMQC-AAEUAGOBSA-N 1 2 363.805 2.719 20 5 FFBDLO CO[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1(C)C ZINC000296331243 257695390 /nfs/dbraw/zinc/69/53/90/257695390.db2.gz ZNKDLRYWEPLJJX-MRXNPFEDSA-N 1 2 358.398 2.668 20 5 FFBDLO COc1ccc(OC)c(C[NH+]2CCN(c3nccc(C)c3[N+](=O)[O-])CC2)c1 ZINC000301267875 258038569 /nfs/dbraw/zinc/03/85/69/258038569.db2.gz GZOPEABTSTYQBZ-UHFFFAOYSA-N 1 2 372.425 2.638 20 5 FFBDLO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000302151772 258091800 /nfs/dbraw/zinc/09/18/00/258091800.db2.gz HXIRQWBSDDLDNS-QWRGUYRKSA-N 1 2 361.489 2.592 20 5 FFBDLO C[C@@H](C[N@H+]1CCC[C@H](C)C1)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000302151772 258091802 /nfs/dbraw/zinc/09/18/02/258091802.db2.gz HXIRQWBSDDLDNS-QWRGUYRKSA-N 1 2 361.489 2.592 20 5 FFBDLO Cc1ccc(N2CC[NH+](CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)c([N+](=O)[O-])c1 ZINC000301457443 258050769 /nfs/dbraw/zinc/05/07/69/258050769.db2.gz XLKHBLPRXACCCO-CALCHBBNSA-N 1 2 374.485 2.530 20 5 FFBDLO O=C1COc2cc([N+](=O)[O-])c(NCc3cn4cc(Cl)ccc4[nH+]3)cc2N1 ZINC000301620947 258058783 /nfs/dbraw/zinc/05/87/83/258058783.db2.gz MXQUGVVNCOIISW-UHFFFAOYSA-N 1 2 373.756 2.839 20 5 FFBDLO COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(C)n2)[NH+]2CCOCC2)cc1 ZINC000301619291 258058795 /nfs/dbraw/zinc/05/87/95/258058795.db2.gz DGWNEXJNTMHSAO-GOSISDBHSA-N 1 2 372.425 2.792 20 5 FFBDLO O=[N+]([O-])c1c(F)cccc1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000301616903 258058859 /nfs/dbraw/zinc/05/88/59/258058859.db2.gz CETHYDPFUUFHHS-MSOLQXFVSA-N 1 2 357.385 2.824 20 5 FFBDLO O=[N+]([O-])c1c(F)cccc1N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000301616903 258058860 /nfs/dbraw/zinc/05/88/60/258058860.db2.gz CETHYDPFUUFHHS-MSOLQXFVSA-N 1 2 357.385 2.824 20 5 FFBDLO O=[N+]([O-])c1ccc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)c(F)c1 ZINC000301664657 258061692 /nfs/dbraw/zinc/06/16/92/258061692.db2.gz VXWHCIKEJPKENK-MOPGFXCFSA-N 1 2 357.385 2.824 20 5 FFBDLO O=[N+]([O-])c1ccc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)c(F)c1 ZINC000301664657 258061694 /nfs/dbraw/zinc/06/16/94/258061694.db2.gz VXWHCIKEJPKENK-MOPGFXCFSA-N 1 2 357.385 2.824 20 5 FFBDLO Cc1cc(NC[C@H](O)c2ccncc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301784975 258067679 /nfs/dbraw/zinc/06/76/79/258067679.db2.gz LGIVURAIKDMLLJ-INIZCTEOSA-N 1 2 351.366 2.901 20 5 FFBDLO CC(C)Cn1cc[nH+]c1CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000301943422 258077006 /nfs/dbraw/zinc/07/70/06/258077006.db2.gz YIZCZSBIYRCHLH-UHFFFAOYSA-N 1 2 358.445 2.524 20 5 FFBDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000065866975 506381215 /nfs/dbraw/zinc/38/12/15/506381215.db2.gz GPCFLADPZFTGLC-UHFFFAOYSA-N 1 2 367.409 2.871 20 5 FFBDLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000066315505 506478517 /nfs/dbraw/zinc/47/85/17/506478517.db2.gz JJLHGHZOVORHAA-UHFFFAOYSA-N 1 2 366.333 2.804 20 5 FFBDLO COc1ccc(OC)c(C[NH+]2CCN(c3ccc([N+](=O)[O-])s3)CC2)c1 ZINC000054389768 506549013 /nfs/dbraw/zinc/54/90/13/506549013.db2.gz DZWHHVXGFFGAFX-UHFFFAOYSA-N 1 2 363.439 2.996 20 5 FFBDLO O=[N+]([O-])c1ccc(NCc2ccc(N3CCOCC3)[nH+]c2)c2ccncc21 ZINC000014306845 506985827 /nfs/dbraw/zinc/98/58/27/506985827.db2.gz FVIZDERHBOWYJN-UHFFFAOYSA-N 1 2 365.393 2.987 20 5 FFBDLO O=C(CC[NH+]1CCN(Cc2cccs2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000045799613 507023698 /nfs/dbraw/zinc/02/36/98/507023698.db2.gz NCZLSUJGOXXFSU-UHFFFAOYSA-N 1 2 374.466 2.803 20 5 FFBDLO O=[N+]([O-])c1ccc(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC000015171184 507024132 /nfs/dbraw/zinc/02/41/32/507024132.db2.gz UUZAPPBVGFFXQM-INIZCTEOSA-N 1 2 372.381 2.816 20 5 FFBDLO O=[N+]([O-])c1ccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC000015171184 507024136 /nfs/dbraw/zinc/02/41/36/507024136.db2.gz UUZAPPBVGFFXQM-INIZCTEOSA-N 1 2 372.381 2.816 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000017590396 507126598 /nfs/dbraw/zinc/12/65/98/507126598.db2.gz AGBUEMRADOCJAB-INIZCTEOSA-N 1 2 369.356 2.768 20 5 FFBDLO C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046598917 507156191 /nfs/dbraw/zinc/15/61/91/507156191.db2.gz NPNWKUYPTAKZGC-ZDUSSCGKSA-N 1 2 362.430 2.574 20 5 FFBDLO C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046598917 507156202 /nfs/dbraw/zinc/15/62/02/507156202.db2.gz NPNWKUYPTAKZGC-ZDUSSCGKSA-N 1 2 362.430 2.574 20 5 FFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ccccc2)CC1 ZINC000057406084 507256655 /nfs/dbraw/zinc/25/66/55/507256655.db2.gz CUZGGGOTYKPXKG-HNNXBMFYSA-N 1 2 354.410 2.744 20 5 FFBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000367086359 512331976 /nfs/dbraw/zinc/33/19/76/512331976.db2.gz TZONRJWBFXMXEQ-LPHOPBHVSA-N 1 2 368.437 2.732 20 5 FFBDLO CCN(CC)c1ccc(CNC(=O)c2cc(OC)ccc2[N+](=O)[O-])c[nH+]1 ZINC000062262091 507663175 /nfs/dbraw/zinc/66/31/75/507663175.db2.gz SPMWIIFJSMRKQL-UHFFFAOYSA-N 1 2 358.398 2.775 20 5 FFBDLO Cc1cccn2cc(C[NH+]3CCN(c4cccc([N+](=O)[O-])c4)CC3)nc12 ZINC000051855682 507788209 /nfs/dbraw/zinc/78/82/09/507788209.db2.gz FSHFULQHWBWUDS-UHFFFAOYSA-N 1 2 351.410 2.873 20 5 FFBDLO Cc1cccn2cc(CN3CCN(c4cccc([N+](=O)[O-])c4)CC3)[nH+]c12 ZINC000051855682 507788213 /nfs/dbraw/zinc/78/82/13/507788213.db2.gz FSHFULQHWBWUDS-UHFFFAOYSA-N 1 2 351.410 2.873 20 5 FFBDLO COc1ccc(OC)c2c1C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H]2O ZINC000051877047 507788767 /nfs/dbraw/zinc/78/87/67/507788767.db2.gz RCOYNNFGSJHPTO-HNNXBMFYSA-N 1 2 374.393 2.540 20 5 FFBDLO COc1ccc(OC)c2c1C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H]2O ZINC000051877047 507788769 /nfs/dbraw/zinc/78/87/69/507788769.db2.gz RCOYNNFGSJHPTO-HNNXBMFYSA-N 1 2 374.393 2.540 20 5 FFBDLO CNc1ccc(C(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1[N+](=O)[O-] ZINC000030541526 507810243 /nfs/dbraw/zinc/81/02/43/507810243.db2.gz GNTDPYFRVIEUET-UHFFFAOYSA-N 1 2 360.439 2.656 20 5 FFBDLO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000078189486 507845348 /nfs/dbraw/zinc/84/53/48/507845348.db2.gz HYBGUGHWPILYEN-CQSZACIVSA-N 1 2 367.833 2.575 20 5 FFBDLO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000075589374 508120476 /nfs/dbraw/zinc/12/04/76/508120476.db2.gz CMHOEHROVGRUQN-DLBZAZTESA-N 1 2 374.485 2.674 20 5 FFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000075589374 508120479 /nfs/dbraw/zinc/12/04/79/508120479.db2.gz CMHOEHROVGRUQN-DLBZAZTESA-N 1 2 374.485 2.674 20 5 FFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000075612798 508121646 /nfs/dbraw/zinc/12/16/46/508121646.db2.gz BXVBGLVQMMINBJ-KRWDZBQOSA-N 1 2 374.485 2.676 20 5 FFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000075612798 508121649 /nfs/dbraw/zinc/12/16/49/508121649.db2.gz BXVBGLVQMMINBJ-KRWDZBQOSA-N 1 2 374.485 2.676 20 5 FFBDLO Cc1c(C[NH+]2CCN(C(=O)c3cccc(O)c3)CC2)cccc1[N+](=O)[O-] ZINC000081011541 508124968 /nfs/dbraw/zinc/12/49/68/508124968.db2.gz KWALLFNRURTLOT-UHFFFAOYSA-N 1 2 355.394 2.567 20 5 FFBDLO COC[C@@H]1C[N@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CCO1 ZINC000093528856 508147391 /nfs/dbraw/zinc/14/73/91/508147391.db2.gz CPBMEOABFQLDQN-HNNXBMFYSA-N 1 2 362.382 2.711 20 5 FFBDLO COC[C@@H]1C[N@@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CCO1 ZINC000093528856 508147393 /nfs/dbraw/zinc/14/73/93/508147393.db2.gz CPBMEOABFQLDQN-HNNXBMFYSA-N 1 2 362.382 2.711 20 5 FFBDLO CCOc1cccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000093608019 508150186 /nfs/dbraw/zinc/15/01/86/508150186.db2.gz DXLLRMXQUHZDNJ-UHFFFAOYSA-N 1 2 369.421 2.952 20 5 FFBDLO C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000112654822 508205942 /nfs/dbraw/zinc/20/59/42/508205942.db2.gz PTXOLFCSOBFJIT-DOMZBBRYSA-N 1 2 373.388 2.642 20 5 FFBDLO C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000112654822 508205946 /nfs/dbraw/zinc/20/59/46/508205946.db2.gz PTXOLFCSOBFJIT-DOMZBBRYSA-N 1 2 373.388 2.642 20 5 FFBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)CCC2 ZINC000367207578 512385744 /nfs/dbraw/zinc/38/57/44/512385744.db2.gz UGUIFGOVMWLRPG-INIZCTEOSA-N 1 2 371.441 2.861 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000116602015 508537261 /nfs/dbraw/zinc/53/72/61/508537261.db2.gz PBYHVAWXLMKEJD-UHFFFAOYSA-N 1 2 374.378 2.590 20 5 FFBDLO C[C@H](C(=O)N1CCc2ccccc21)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153354899 508574811 /nfs/dbraw/zinc/57/48/11/508574811.db2.gz BRWXXCKEVZKXNQ-CQSZACIVSA-N 1 2 351.406 2.931 20 5 FFBDLO C[C@H](C(=O)N1CCc2ccccc21)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153354899 508574812 /nfs/dbraw/zinc/57/48/12/508574812.db2.gz BRWXXCKEVZKXNQ-CQSZACIVSA-N 1 2 351.406 2.931 20 5 FFBDLO O=c1cc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)nc2ccc(Cl)cn12 ZINC000153373954 508577340 /nfs/dbraw/zinc/57/73/40/508577340.db2.gz CLQUODYXYUZAQO-UHFFFAOYSA-N 1 2 370.796 2.814 20 5 FFBDLO O=c1cc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)nc2ccc(Cl)cn12 ZINC000153373954 508577342 /nfs/dbraw/zinc/57/73/42/508577342.db2.gz CLQUODYXYUZAQO-UHFFFAOYSA-N 1 2 370.796 2.814 20 5 FFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCCc1cn2ccccc2[nH+]1 ZINC000117592050 508606560 /nfs/dbraw/zinc/60/65/60/508606560.db2.gz WZUVFUPWVGKPPO-UHFFFAOYSA-N 1 2 358.785 2.797 20 5 FFBDLO Cc1c(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000123685582 508725048 /nfs/dbraw/zinc/72/50/48/508725048.db2.gz CRYFWALEWOHFPD-ZBEGNZNMSA-N 1 2 373.369 2.731 20 5 FFBDLO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000139057680 508783504 /nfs/dbraw/zinc/78/35/04/508783504.db2.gz ABQWIRROZKYUGR-ZIAGYGMSSA-N 1 2 363.414 2.505 20 5 FFBDLO CCOC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000139057680 508783507 /nfs/dbraw/zinc/78/35/07/508783507.db2.gz ABQWIRROZKYUGR-ZIAGYGMSSA-N 1 2 363.414 2.505 20 5 FFBDLO COC(=O)c1ccc([C@H](C)[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)o1 ZINC000124148995 508788822 /nfs/dbraw/zinc/78/88/22/508788822.db2.gz BNCYQRQHROHLLV-ZDUSSCGKSA-N 1 2 359.382 2.858 20 5 FFBDLO O=C(NCCn1cc([N+](=O)[O-])cn1)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000124924740 508906350 /nfs/dbraw/zinc/90/63/50/508906350.db2.gz WFIZCHCFXHRGQC-UHFFFAOYSA-N 1 2 368.353 2.800 20 5 FFBDLO O=[N+]([O-])c1cccc(OC[C@H](O)COc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000155124892 508928975 /nfs/dbraw/zinc/92/89/75/508928975.db2.gz FWSKRYGNIGKQGZ-MRXNPFEDSA-N 1 2 355.350 2.599 20 5 FFBDLO Cc1[nH+]c2ccccn2c1Cn1cc(Br)c(=O)c([N+](=O)[O-])c1 ZINC000132508166 509039550 /nfs/dbraw/zinc/03/95/50/509039550.db2.gz NDYUBHUGGGFUAU-UHFFFAOYSA-N 1 2 363.171 2.523 20 5 FFBDLO Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)CO2 ZINC000155842758 509080838 /nfs/dbraw/zinc/08/08/38/509080838.db2.gz TWRGWYSPRIAACM-OAHLLOKOSA-N 1 2 364.361 2.952 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000156026663 509112599 /nfs/dbraw/zinc/11/25/99/509112599.db2.gz PKWUTRHBFGKRCE-UHFFFAOYSA-N 1 2 355.398 2.648 20 5 FFBDLO Cc1cc(NC[C@H](O)COCC(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000126919014 509146920 /nfs/dbraw/zinc/14/69/20/509146920.db2.gz GAIMDQAJFOXCFP-INIZCTEOSA-N 1 2 360.414 2.806 20 5 FFBDLO Cc1cc(N(C)Cc2ccc(N)[nH+]c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000127117032 509167928 /nfs/dbraw/zinc/16/79/28/509167928.db2.gz LDYKUYRDTAQCIB-UHFFFAOYSA-N 1 2 350.382 2.974 20 5 FFBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000121437118 509174080 /nfs/dbraw/zinc/17/40/80/509174080.db2.gz GBJXOMYCVICTQO-GFCCVEGCSA-N 1 2 370.818 2.887 20 5 FFBDLO Cc1cc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1[N+](=O)[O-] ZINC000182434915 509235893 /nfs/dbraw/zinc/23/58/93/509235893.db2.gz LRHAJLVKLXTJTJ-SFHVURJKSA-N 1 2 355.394 2.743 20 5 FFBDLO Cc1cc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1[N+](=O)[O-] ZINC000182434915 509235902 /nfs/dbraw/zinc/23/59/02/509235902.db2.gz LRHAJLVKLXTJTJ-SFHVURJKSA-N 1 2 355.394 2.743 20 5 FFBDLO O=C(Cc1cccc([N+](=O)[O-])c1)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000188775604 509256374 /nfs/dbraw/zinc/25/63/74/509256374.db2.gz MJSASPAVVIWNCP-UHFFFAOYSA-N 1 2 373.840 2.965 20 5 FFBDLO O=C(Cc1cccc([N+](=O)[O-])c1)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000188775604 509256384 /nfs/dbraw/zinc/25/63/84/509256384.db2.gz MJSASPAVVIWNCP-UHFFFAOYSA-N 1 2 373.840 2.965 20 5 FFBDLO O=C(Cc1cccc([N+](=O)[O-])c1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000172885829 509292398 /nfs/dbraw/zinc/29/23/98/509292398.db2.gz VOEYJLLYRQNOPC-UHFFFAOYSA-N 1 2 354.341 2.779 20 5 FFBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N(CC[NH+]1CCOCC1)c1ccccc1 ZINC000172914789 509307188 /nfs/dbraw/zinc/30/71/88/509307188.db2.gz RRDVXRWWQXLNKE-UHFFFAOYSA-N 1 2 369.421 2.503 20 5 FFBDLO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1O ZINC000185707656 509315243 /nfs/dbraw/zinc/31/52/43/509315243.db2.gz PWGOPLQOWNJSCI-UHFFFAOYSA-N 1 2 369.421 2.737 20 5 FFBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000192246968 509425658 /nfs/dbraw/zinc/42/56/58/509425658.db2.gz YSOOIUCKGSBTRC-UHFFFAOYSA-N 1 2 370.413 2.782 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192634624 509573544 /nfs/dbraw/zinc/57/35/44/509573544.db2.gz CWGLDELUZVTAFQ-ZDUSSCGKSA-N 1 2 371.393 2.825 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192634624 509573554 /nfs/dbraw/zinc/57/35/54/509573554.db2.gz CWGLDELUZVTAFQ-ZDUSSCGKSA-N 1 2 371.393 2.825 20 5 FFBDLO CSc1ccc(C(=O)NCc2cccnc2-n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000192636910 509575426 /nfs/dbraw/zinc/57/54/26/509575426.db2.gz OMQQHZPETYGTGD-UHFFFAOYSA-N 1 2 369.406 2.827 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000192709846 509608047 /nfs/dbraw/zinc/60/80/47/509608047.db2.gz JSWWWTAZGCOEEH-UHFFFAOYSA-N 1 2 369.421 2.740 20 5 FFBDLO COc1ccc([C@@H](CNc2cc(N)ccc2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000192764163 509633597 /nfs/dbraw/zinc/63/35/97/509633597.db2.gz RTYMSTYYFKFSJK-LJQANCHMSA-N 1 2 372.425 2.671 20 5 FFBDLO Cc1ccc([C@@H](C)NC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000176735507 509663448 /nfs/dbraw/zinc/66/34/48/509663448.db2.gz LJQMPIDLMCWRHO-OAHLLOKOSA-N 1 2 369.425 2.891 20 5 FFBDLO COc1cccc(C(=O)N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C)CC2)c1 ZINC000183272591 509691353 /nfs/dbraw/zinc/69/13/53/509691353.db2.gz IEDRLVBYUFNKFI-UHFFFAOYSA-N 1 2 369.421 2.870 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000268097982 509753526 /nfs/dbraw/zinc/75/35/26/509753526.db2.gz ZXDOYYJUGLAIDU-SNVBAGLBSA-N 1 2 370.818 2.540 20 5 FFBDLO COc1ccc([C@@H](CO)[N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000264908896 509768934 /nfs/dbraw/zinc/76/89/34/509768934.db2.gz JIKGYKUMVDOEHP-GOSISDBHSA-N 1 2 374.393 2.635 20 5 FFBDLO COc1ccc([C@@H](CO)[N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000264908896 509768939 /nfs/dbraw/zinc/76/89/39/509768939.db2.gz JIKGYKUMVDOEHP-GOSISDBHSA-N 1 2 374.393 2.635 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+](Cc2cccnc2)C2CC2)c([N+](=O)[O-])c1 ZINC000180270424 509841397 /nfs/dbraw/zinc/84/13/97/509841397.db2.gz DWLZLOSDBAJRNY-UHFFFAOYSA-N 1 2 356.382 2.602 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+](Cc2cccnc2)C2CC2)c([N+](=O)[O-])c1 ZINC000180270424 509841407 /nfs/dbraw/zinc/84/14/07/509841407.db2.gz DWLZLOSDBAJRNY-UHFFFAOYSA-N 1 2 356.382 2.602 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCS[C@H](CC)C2)c([N+](=O)[O-])c1 ZINC000173929573 509859684 /nfs/dbraw/zinc/85/96/84/509859684.db2.gz FMYIVCWYXPVJBS-CYBMUJFWSA-N 1 2 353.444 2.759 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+]2CCS[C@H](CC)C2)c([N+](=O)[O-])c1 ZINC000173929573 509859692 /nfs/dbraw/zinc/85/96/92/509859692.db2.gz FMYIVCWYXPVJBS-CYBMUJFWSA-N 1 2 353.444 2.759 20 5 FFBDLO C[C@@H](c1cccnc1)[NH+]1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000265119735 509870917 /nfs/dbraw/zinc/87/09/17/509870917.db2.gz JSZDQJJFRZQFKK-LBPRGKRZSA-N 1 2 358.427 2.582 20 5 FFBDLO O=[N+]([O-])c1cnc2ccc(NCc3[nH+]ccn3CCc3ccccc3)nn21 ZINC000193471102 509928542 /nfs/dbraw/zinc/92/85/42/509928542.db2.gz BDVSVVOSJHMYGB-UHFFFAOYSA-N 1 2 363.381 2.689 20 5 FFBDLO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183919555 510039058 /nfs/dbraw/zinc/03/90/58/510039058.db2.gz PVSKRSYIQOBYLQ-MRXNPFEDSA-N 1 2 371.393 2.530 20 5 FFBDLO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183919555 510039062 /nfs/dbraw/zinc/03/90/62/510039062.db2.gz PVSKRSYIQOBYLQ-MRXNPFEDSA-N 1 2 371.393 2.530 20 5 FFBDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H](C)O1 ZINC000180662297 510040979 /nfs/dbraw/zinc/04/09/79/510040979.db2.gz FRANDNBAOASXBZ-PXAZEXFGSA-N 1 2 360.366 2.617 20 5 FFBDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H](C)O1 ZINC000180662297 510040987 /nfs/dbraw/zinc/04/09/87/510040987.db2.gz FRANDNBAOASXBZ-PXAZEXFGSA-N 1 2 360.366 2.617 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2cccc3c2NCC3)CC1 ZINC000261782172 510061602 /nfs/dbraw/zinc/06/16/02/510061602.db2.gz FMVSTRIVKUGVRO-UHFFFAOYSA-N 1 2 366.421 2.521 20 5 FFBDLO C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@H]1c1ccc(F)c(F)c1 ZINC000245665937 510071755 /nfs/dbraw/zinc/07/17/55/510071755.db2.gz ITGZFQXXEUOVAO-SWLSCSKDSA-N 1 2 351.309 2.641 20 5 FFBDLO C[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@H]1c1ccc(F)c(F)c1 ZINC000245665937 510071761 /nfs/dbraw/zinc/07/17/61/510071761.db2.gz ITGZFQXXEUOVAO-SWLSCSKDSA-N 1 2 351.309 2.641 20 5 FFBDLO Cc1sc(C(=O)N2CCN(C3=[NH+]CC(C)(C)S3)CC2)cc1[N+](=O)[O-] ZINC000265743933 510206906 /nfs/dbraw/zinc/20/69/06/510206906.db2.gz HCXSEENCBZDSRM-UHFFFAOYSA-N 1 2 368.484 2.604 20 5 FFBDLO COc1ccc(CN2CC[NH+](Cc3cccc(O)c3)CC2)cc1[N+](=O)[O-] ZINC000177786100 510252640 /nfs/dbraw/zinc/25/26/40/510252640.db2.gz PAUKTOAEIJKUHB-UHFFFAOYSA-N 1 2 357.410 2.627 20 5 FFBDLO C[C@@H](c1nccs1)N1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000184584645 510401438 /nfs/dbraw/zinc/40/14/38/510401438.db2.gz OQMZKCSEUPPKOM-AWEZNQCLSA-N 1 2 362.455 2.809 20 5 FFBDLO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000194745736 510509645 /nfs/dbraw/zinc/50/96/45/510509645.db2.gz VSOFVONVRIMEFS-HNNXBMFYSA-N 1 2 355.394 2.552 20 5 FFBDLO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000194745736 510509654 /nfs/dbraw/zinc/50/96/54/510509654.db2.gz VSOFVONVRIMEFS-HNNXBMFYSA-N 1 2 355.394 2.552 20 5 FFBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000184916781 510581639 /nfs/dbraw/zinc/58/16/39/510581639.db2.gz UFGYWSFCTJSLFY-JQIJEIRASA-N 1 2 366.421 2.738 20 5 FFBDLO Cc1ccc([C@H](C)[NH2+]Cc2csc(CS(C)(=O)=O)n2)cc1[N+](=O)[O-] ZINC000181813558 510608045 /nfs/dbraw/zinc/60/80/45/510608045.db2.gz ZCCFSPPQDQGIQY-NSHDSACASA-N 1 2 369.468 2.755 20 5 FFBDLO CO[C@@]1(C)C[C@@H]([N@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000181935091 510668698 /nfs/dbraw/zinc/66/86/98/510668698.db2.gz XXANJTMNHHGBBA-WBVHZDCISA-N 1 2 370.471 2.504 20 5 FFBDLO CO[C@@]1(C)C[C@@H]([N@@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000181935091 510668702 /nfs/dbraw/zinc/66/87/02/510668702.db2.gz XXANJTMNHHGBBA-WBVHZDCISA-N 1 2 370.471 2.504 20 5 FFBDLO O=C(CC[N@@H+]1CCC[C@H](c2ccn[nH]2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000185194466 510740750 /nfs/dbraw/zinc/74/07/50/510740750.db2.gz RVNSPJURMKDTEG-LBPRGKRZSA-N 1 2 361.377 2.665 20 5 FFBDLO O=C(CC[N@H+]1CCC[C@H](c2ccn[nH]2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000185194466 510740755 /nfs/dbraw/zinc/74/07/55/510740755.db2.gz RVNSPJURMKDTEG-LBPRGKRZSA-N 1 2 361.377 2.665 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178833619 510796316 /nfs/dbraw/zinc/79/63/16/510796316.db2.gz BDIOWECSEVCCQK-ZDUSSCGKSA-N 1 2 363.414 2.505 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178833619 510796321 /nfs/dbraw/zinc/79/63/21/510796321.db2.gz BDIOWECSEVCCQK-ZDUSSCGKSA-N 1 2 363.414 2.505 20 5 FFBDLO CCOc1ccc(NC(=O)C[NH+]2CCC(c3cn[nH]c3)CC2)c([N+](=O)[O-])c1 ZINC000364631439 510982734 /nfs/dbraw/zinc/98/27/34/510982734.db2.gz OWBMYHJZFNVKGF-UHFFFAOYSA-N 1 2 373.413 2.535 20 5 FFBDLO O=C(NCC1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1)C(F)(F)F ZINC000282487794 510997811 /nfs/dbraw/zinc/99/78/11/510997811.db2.gz MFJXVTVHDQELNV-UHFFFAOYSA-N 1 2 363.311 2.624 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000270875749 511011462 /nfs/dbraw/zinc/01/14/62/511011462.db2.gz UUWKCCYSVVHIQE-LBPRGKRZSA-N 1 2 351.366 2.886 20 5 FFBDLO Cc1nn(C)c(C(=O)NCc2ccc3c(c2)[nH+]c(C)n3C2CC2)c1[N+](=O)[O-] ZINC000282824798 511125496 /nfs/dbraw/zinc/12/54/96/511125496.db2.gz CSMIIBHTYSJWCJ-UHFFFAOYSA-N 1 2 368.397 2.560 20 5 FFBDLO C[C@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000271240909 511133755 /nfs/dbraw/zinc/13/37/55/511133755.db2.gz HMYQEAMQECLTLA-GHMZBOCLSA-N 1 2 361.489 2.592 20 5 FFBDLO C[C@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000271240909 511133762 /nfs/dbraw/zinc/13/37/62/511133762.db2.gz HMYQEAMQECLTLA-GHMZBOCLSA-N 1 2 361.489 2.592 20 5 FFBDLO C[C@@H](CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000279696427 511180322 /nfs/dbraw/zinc/18/03/22/511180322.db2.gz VFUNJCGRRRRZDO-JTQLQIEISA-N 1 2 354.769 2.579 20 5 FFBDLO Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)n1 ZINC000271432256 511202124 /nfs/dbraw/zinc/20/21/24/511202124.db2.gz RVZGDEYNGHGUPF-UHFFFAOYSA-N 1 2 354.370 2.657 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000298217805 511212167 /nfs/dbraw/zinc/21/21/67/511212167.db2.gz FNJLPXRANABAPH-DZGCQCFKSA-N 1 2 355.341 2.519 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000298217805 511212172 /nfs/dbraw/zinc/21/21/72/511212172.db2.gz FNJLPXRANABAPH-DZGCQCFKSA-N 1 2 355.341 2.519 20 5 FFBDLO C[C@H](Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000295026460 511257067 /nfs/dbraw/zinc/25/70/67/511257067.db2.gz VLNFLRQAUQDVSU-KBPBESRZSA-N 1 2 357.414 2.767 20 5 FFBDLO C[C@H](Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)c1ccc([N+](=O)[O-])cc1 ZINC000295026460 511257071 /nfs/dbraw/zinc/25/70/71/511257071.db2.gz VLNFLRQAUQDVSU-KBPBESRZSA-N 1 2 357.414 2.767 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000365193025 511308984 /nfs/dbraw/zinc/30/89/84/511308984.db2.gz GLWSFJKJQIFUAR-CYBMUJFWSA-N 1 2 365.393 2.896 20 5 FFBDLO CC(=O)c1cc([N+](=O)[O-])ccc1NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000283518811 511397994 /nfs/dbraw/zinc/39/79/94/511397994.db2.gz KDHDQJOKBJNADI-UHFFFAOYSA-N 1 2 356.382 2.641 20 5 FFBDLO Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)c(C)[nH+]1 ZINC000272072022 511420616 /nfs/dbraw/zinc/42/06/16/511420616.db2.gz LMWYEFOWUPRFHY-UHFFFAOYSA-N 1 2 356.382 2.696 20 5 FFBDLO COCC[C@@H]1COCCN1c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000292279702 511535131 /nfs/dbraw/zinc/53/51/31/511535131.db2.gz JMMQDZJMSYBCTN-MRXNPFEDSA-N 1 2 358.398 2.602 20 5 FFBDLO COc1c(C)c[nH+]c(CN(C)C(=O)COc2ccccc2[N+](=O)[O-])c1C ZINC000299440329 511636796 /nfs/dbraw/zinc/63/67/96/511636796.db2.gz KWTNXQDBANMBLH-UHFFFAOYSA-N 1 2 359.382 2.653 20 5 FFBDLO CCc1cc(NC[C@H](CO)[C@@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000281007298 511686668 /nfs/dbraw/zinc/68/66/68/511686668.db2.gz OMQMAJJCCMIOOX-HUUCEWRRSA-N 1 2 372.425 2.671 20 5 FFBDLO C[N@H+](Cc1cscn1)Cc1cccc(Nc2ncc([N+](=O)[O-])c(N)n2)c1 ZINC000301224994 511690563 /nfs/dbraw/zinc/69/05/63/511690563.db2.gz BDQAIUARFYUGGL-UHFFFAOYSA-N 1 2 371.426 2.799 20 5 FFBDLO C[N@@H+](Cc1cscn1)Cc1cccc(Nc2ncc([N+](=O)[O-])c(N)n2)c1 ZINC000301224994 511690569 /nfs/dbraw/zinc/69/05/69/511690569.db2.gz BDQAIUARFYUGGL-UHFFFAOYSA-N 1 2 371.426 2.799 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCS(=O)(=O)c3ccc(F)cc32)cc1 ZINC000363945749 511867592 /nfs/dbraw/zinc/86/75/92/511867592.db2.gz AYUACSIGVSJJDD-HNNXBMFYSA-N 1 2 350.371 2.742 20 5 FFBDLO O=C(NC1CC1)[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293266567 511901251 /nfs/dbraw/zinc/90/12/51/511901251.db2.gz XSGJHQRCYYMNBW-AWEZNQCLSA-N 1 2 357.332 2.857 20 5 FFBDLO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293266567 511901258 /nfs/dbraw/zinc/90/12/58/511901258.db2.gz XSGJHQRCYYMNBW-AWEZNQCLSA-N 1 2 357.332 2.857 20 5 FFBDLO Cc1ccc([C@H](CNc2ncc([N+](=O)[O-])c(C)n2)[NH+]2CCOCC2)s1 ZINC000297118641 512026821 /nfs/dbraw/zinc/02/68/21/512026821.db2.gz MEHAEPVFXYHZMV-AWEZNQCLSA-N 1 2 363.443 2.549 20 5 FFBDLO O=C1CCCN1[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293711993 512059105 /nfs/dbraw/zinc/05/91/05/512059105.db2.gz DXKSIKNCFHCQKM-ZDUSSCGKSA-N 1 2 357.332 2.810 20 5 FFBDLO O=C1CCCN1[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293711993 512059109 /nfs/dbraw/zinc/05/91/09/512059109.db2.gz DXKSIKNCFHCQKM-ZDUSSCGKSA-N 1 2 357.332 2.810 20 5 FFBDLO O=C(c1cc2ccccc2c2cccnc12)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000378111540 512595582 /nfs/dbraw/zinc/59/55/82/512595582.db2.gz DYTRXPWCQBKNOX-KRWDZBQOSA-N 1 2 361.445 2.935 20 5 FFBDLO C[C@H]1C[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000367701311 512622940 /nfs/dbraw/zinc/62/29/40/512622940.db2.gz YYXIGCBBTAQJBV-ZFWWWQNUSA-N 1 2 355.394 2.693 20 5 FFBDLO C[C@H]1C[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000367701311 512622943 /nfs/dbraw/zinc/62/29/43/512622943.db2.gz YYXIGCBBTAQJBV-ZFWWWQNUSA-N 1 2 355.394 2.693 20 5 FFBDLO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)C[C@@H](C)O2 ZINC000374018068 512624842 /nfs/dbraw/zinc/62/48/42/512624842.db2.gz MVMLEZMKXPQCDR-SNUQEOBHSA-N 1 2 361.398 2.894 20 5 FFBDLO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)C[C@@H](C)O2 ZINC000374018068 512624846 /nfs/dbraw/zinc/62/48/46/512624846.db2.gz MVMLEZMKXPQCDR-SNUQEOBHSA-N 1 2 361.398 2.894 20 5 FFBDLO O=C(Nc1cnc2c(c1)COCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000378476544 512780112 /nfs/dbraw/zinc/78/01/12/512780112.db2.gz UOGYWBCEJSMBCT-UHFFFAOYSA-N 1 2 365.349 2.501 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])o1)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000372260231 512785555 /nfs/dbraw/zinc/78/55/55/512785555.db2.gz HDZXSRLVWHWUAJ-UHFFFAOYSA-N 1 2 370.287 2.564 20 5 FFBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000374378380 512802316 /nfs/dbraw/zinc/80/23/16/512802316.db2.gz RIPJNFHVQRSJHL-SUMWQHHRSA-N 1 2 372.450 2.644 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(CC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1F ZINC000411769493 512802830 /nfs/dbraw/zinc/80/28/30/512802830.db2.gz IXXJXDCYUMXSEG-CYBMUJFWSA-N 1 2 362.361 2.762 20 5 FFBDLO Cn1cc[nH+]c1-c1cccc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)c1 ZINC000370492672 512961705 /nfs/dbraw/zinc/96/17/05/512961705.db2.gz RISQRVNQTGRHRN-UHFFFAOYSA-N 1 2 355.329 2.969 20 5 FFBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000376956710 513065774 /nfs/dbraw/zinc/06/57/74/513065774.db2.gz SITKXMFGNLJAIA-JKSUJKDBSA-N 1 2 356.426 2.913 20 5 FFBDLO C[C@H](c1csnn1)[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000450733897 513319059 /nfs/dbraw/zinc/31/90/59/513319059.db2.gz AVBGYLOQBBFJAQ-LLVKDONJSA-N 1 2 373.442 2.596 20 5 FFBDLO C[C@H](c1csnn1)[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000450733897 513319062 /nfs/dbraw/zinc/31/90/62/513319062.db2.gz AVBGYLOQBBFJAQ-LLVKDONJSA-N 1 2 373.442 2.596 20 5 FFBDLO CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1C ZINC000440504426 513337212 /nfs/dbraw/zinc/33/72/12/513337212.db2.gz WSXHWVGPZLFMFS-OAHLLOKOSA-N 1 2 371.441 2.797 20 5 FFBDLO CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1C ZINC000440504426 513337218 /nfs/dbraw/zinc/33/72/18/513337218.db2.gz WSXHWVGPZLFMFS-OAHLLOKOSA-N 1 2 371.441 2.797 20 5 FFBDLO CN(CC1(O)CCCCCC1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450809093 513350831 /nfs/dbraw/zinc/35/08/31/513350831.db2.gz WDLSJMDUFYAQEI-UHFFFAOYSA-N 1 2 372.425 2.938 20 5 FFBDLO COc1cc(CCNc2cc(NC3CC3)nc[nH+]2)c([N+](=O)[O-])cc1OC ZINC000413033067 513396329 /nfs/dbraw/zinc/39/63/29/513396329.db2.gz LQMZLKDUMNBAMD-UHFFFAOYSA-N 1 2 359.386 2.631 20 5 FFBDLO COc1cc(CCNc2cc(NC3CC3)[nH+]cn2)c([N+](=O)[O-])cc1OC ZINC000413033067 513396335 /nfs/dbraw/zinc/39/63/35/513396335.db2.gz LQMZLKDUMNBAMD-UHFFFAOYSA-N 1 2 359.386 2.631 20 5 FFBDLO Cc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cc2F)[NH+]2CCOCC2)cc1 ZINC000413063840 513418431 /nfs/dbraw/zinc/41/84/31/513418431.db2.gz DWMNXWNBOFSDPM-QGZVFWFLSA-N 1 2 360.389 2.923 20 5 FFBDLO CC(C)(C(=O)N1CC[NH+](Cc2ccco2)CC1)c1ccccc1[N+](=O)[O-] ZINC000429839730 513478333 /nfs/dbraw/zinc/47/83/33/513478333.db2.gz MMTUFPHJXMSYGY-UHFFFAOYSA-N 1 2 357.410 2.810 20 5 FFBDLO Cc1nsc(N2CCN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)CC2)n1 ZINC000413167244 513494853 /nfs/dbraw/zinc/49/48/53/513494853.db2.gz JRKPJVBDUUEBCA-UHFFFAOYSA-N 1 2 356.411 2.630 20 5 FFBDLO C[N@H+](CC(=O)NCc1cccs1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000435059796 513500996 /nfs/dbraw/zinc/50/09/96/513500996.db2.gz IWCGXTQRFKGDIY-UHFFFAOYSA-N 1 2 360.395 2.546 20 5 FFBDLO C[N@@H+](CC(=O)NCc1cccs1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000435059796 513501002 /nfs/dbraw/zinc/50/10/02/513501002.db2.gz IWCGXTQRFKGDIY-UHFFFAOYSA-N 1 2 360.395 2.546 20 5 FFBDLO CC(C)(C)NC(=O)N1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413235015 513537348 /nfs/dbraw/zinc/53/73/48/513537348.db2.gz RDHURSZJQWBRRZ-UHFFFAOYSA-N 1 2 357.414 2.773 20 5 FFBDLO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)cccc21 ZINC000447720638 513551118 /nfs/dbraw/zinc/55/11/18/513551118.db2.gz COILOABJSPDFFH-AWEZNQCLSA-N 1 2 357.366 2.938 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCC1(CCO)CCCC1 ZINC000447809367 513577213 /nfs/dbraw/zinc/57/72/13/513577213.db2.gz YLXDWONREWNBIL-UHFFFAOYSA-N 1 2 363.458 2.782 20 5 FFBDLO CC(C)[C@H](O)C1(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000447816934 513579664 /nfs/dbraw/zinc/57/96/64/513579664.db2.gz NULXESGLUSFYLE-SFHVURJKSA-N 1 2 363.458 2.636 20 5 FFBDLO CC(C)(C)[C@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCO1 ZINC000447817118 513580238 /nfs/dbraw/zinc/58/02/38/513580238.db2.gz OUGPLSKWLNYTNB-GOSISDBHSA-N 1 2 363.458 2.678 20 5 FFBDLO Cc1ccc(C[NH+]2CCC3(CC2)CCS(=O)(=O)CC3)cc1[N+](=O)[O-] ZINC000430222018 513591870 /nfs/dbraw/zinc/59/18/70/513591870.db2.gz SWRKQZDPHZUYTD-UHFFFAOYSA-N 1 2 352.456 2.694 20 5 FFBDLO CCc1cc(NCC2([S@](C)=O)CCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000435661561 513650395 /nfs/dbraw/zinc/65/03/95/513650395.db2.gz FNRNLIUMXKNFGB-SANMLTNESA-N 1 2 374.466 2.749 20 5 FFBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000430506349 513670763 /nfs/dbraw/zinc/67/07/63/513670763.db2.gz OIKUQYVEHCWENP-UHFFFAOYSA-N 1 2 362.405 2.974 20 5 FFBDLO CC(C)Oc1cc(C(=O)N2CC[NH2+][C@H](c3cccnc3)C2)ccc1[N+](=O)[O-] ZINC000413784043 513814341 /nfs/dbraw/zinc/81/43/41/513814341.db2.gz ODNMUOIUSCGLEQ-INIZCTEOSA-N 1 2 370.409 2.564 20 5 FFBDLO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436974399 514058554 /nfs/dbraw/zinc/05/85/54/514058554.db2.gz YHOTUHDRBVCDQQ-KSSFIOAISA-N 1 2 369.421 2.941 20 5 FFBDLO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436974399 514058562 /nfs/dbraw/zinc/05/85/62/514058562.db2.gz YHOTUHDRBVCDQQ-KSSFIOAISA-N 1 2 369.421 2.941 20 5 FFBDLO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436974394 514058737 /nfs/dbraw/zinc/05/87/37/514058737.db2.gz YHOTUHDRBVCDQQ-KBXCAEBGSA-N 1 2 369.421 2.941 20 5 FFBDLO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436974394 514058743 /nfs/dbraw/zinc/05/87/43/514058743.db2.gz YHOTUHDRBVCDQQ-KBXCAEBGSA-N 1 2 369.421 2.941 20 5 FFBDLO C[C@@H]1C[N@H+](C)CCN1C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444012284 514099405 /nfs/dbraw/zinc/09/94/05/514099405.db2.gz KWCGHFUWGRKUND-GFCCVEGCSA-N 1 2 353.397 2.597 20 5 FFBDLO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444012284 514099415 /nfs/dbraw/zinc/09/94/15/514099415.db2.gz KWCGHFUWGRKUND-GFCCVEGCSA-N 1 2 353.397 2.597 20 5 FFBDLO O=C(NCc1c[nH+]c[nH]1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444081202 514117389 /nfs/dbraw/zinc/11/73/89/514117389.db2.gz CCPYNQGXFYAXPH-UHFFFAOYSA-N 1 2 354.316 2.613 20 5 FFBDLO O=C(NCc1c[nH]c[nH+]1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444081202 514117398 /nfs/dbraw/zinc/11/73/98/514117398.db2.gz CCPYNQGXFYAXPH-UHFFFAOYSA-N 1 2 354.316 2.613 20 5 FFBDLO Cn1cc(Cl)c(CN[C@@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)n1 ZINC000449479735 514224558 /nfs/dbraw/zinc/22/45/58/514224558.db2.gz MTUDGECBGNAHAM-OAHLLOKOSA-N 1 2 360.805 2.594 20 5 FFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000449674416 514297735 /nfs/dbraw/zinc/29/77/35/514297735.db2.gz UQCRVJBVUOWAJF-UFBFGSQYSA-N 1 2 370.274 2.941 20 5 FFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000449674416 514297743 /nfs/dbraw/zinc/29/77/43/514297743.db2.gz UQCRVJBVUOWAJF-UFBFGSQYSA-N 1 2 370.274 2.941 20 5 FFBDLO CCc1nnc(C2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)[nH]1 ZINC000444697796 514297779 /nfs/dbraw/zinc/29/77/79/514297779.db2.gz ZADAQWSZDIVNND-UHFFFAOYSA-N 1 2 355.402 2.531 20 5 FFBDLO CCc1n[nH]c(C2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)n1 ZINC000444697796 514297782 /nfs/dbraw/zinc/29/77/82/514297782.db2.gz ZADAQWSZDIVNND-UHFFFAOYSA-N 1 2 355.402 2.531 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H](OCC2CC2)C1 ZINC000428108111 514399311 /nfs/dbraw/zinc/39/93/11/514399311.db2.gz QDVMMHPXARGVIK-INIZCTEOSA-N 1 2 370.409 2.812 20 5 FFBDLO CO[C@@]1(C)C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1(C)C ZINC000450008634 514463467 /nfs/dbraw/zinc/46/34/67/514463467.db2.gz DBCKVAQUFOHAIT-QAPCUYQASA-N 1 2 358.398 2.714 20 5 FFBDLO CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CCOCC1 ZINC000450017621 514466984 /nfs/dbraw/zinc/46/69/84/514466984.db2.gz OTECQUCPMRSEKZ-OAHLLOKOSA-N 1 2 358.398 2.716 20 5 FFBDLO CCN1CCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000433465523 514499492 /nfs/dbraw/zinc/49/94/92/514499492.db2.gz HNCSEZQDYFRUHZ-HNNXBMFYSA-N 1 2 371.441 2.762 20 5 FFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000455484214 514550427 /nfs/dbraw/zinc/55/04/27/514550427.db2.gz ZCSCEKYILQMDOS-AWEZNQCLSA-N 1 2 374.445 2.982 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@H](C2CCOCC2)C1 ZINC000450228587 514552508 /nfs/dbraw/zinc/55/25/08/514552508.db2.gz BGMWUXFRCPPKPO-INIZCTEOSA-N 1 2 370.409 2.669 20 5 FFBDLO O=C(NCc1cn2c([nH+]1)CCCC2)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466231234 514585135 /nfs/dbraw/zinc/58/51/35/514585135.db2.gz OXDQKUPOSYZCRY-UHFFFAOYSA-N 1 2 363.805 2.780 20 5 FFBDLO CC(C)(C)CN1CCC[C@@H]([NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)C1=O ZINC000461389921 514588093 /nfs/dbraw/zinc/58/80/93/514588093.db2.gz VBBXYMDWJHSTMP-GOSISDBHSA-N 1 2 374.485 2.754 20 5 FFBDLO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCc3c[nH+]c[nH]3)cc2[N+](=O)[O-])C1 ZINC000479584121 514640633 /nfs/dbraw/zinc/64/06/33/514640633.db2.gz ADUGWRKEYLWPOS-BETUJISGSA-N 1 2 357.414 2.730 20 5 FFBDLO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCc3c[nH]c[nH+]3)cc2[N+](=O)[O-])C1 ZINC000479584121 514640644 /nfs/dbraw/zinc/64/06/44/514640644.db2.gz ADUGWRKEYLWPOS-BETUJISGSA-N 1 2 357.414 2.730 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000484518530 514672755 /nfs/dbraw/zinc/67/27/55/514672755.db2.gz WCLSAVVPQMZWNY-OAHLLOKOSA-N 1 2 359.386 3.000 20 5 FFBDLO CCOc1cc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)ccc1OC ZINC000453576227 514696538 /nfs/dbraw/zinc/69/65/38/514696538.db2.gz LZLFWEPZQSFNQW-UHFFFAOYSA-N 1 2 372.425 2.719 20 5 FFBDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H](C)C1 ZINC000508301834 514735838 /nfs/dbraw/zinc/73/58/38/514735838.db2.gz PEFJBLKTKKUSRY-CQSZACIVSA-N 1 2 372.425 2.668 20 5 FFBDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H](C)C1 ZINC000508301834 514735846 /nfs/dbraw/zinc/73/58/46/514735846.db2.gz PEFJBLKTKKUSRY-CQSZACIVSA-N 1 2 372.425 2.668 20 5 FFBDLO COC(=O)C1([NH2+]CCOc2ccc(OC)cc2[N+](=O)[O-])CCCCCC1 ZINC000502752122 514762414 /nfs/dbraw/zinc/76/24/14/514762414.db2.gz XIIVWYDZIYDCEP-UHFFFAOYSA-N 1 2 366.414 2.838 20 5 FFBDLO COc1ccc(CNC(=O)CCn2c(C)[nH+]c3ccccc32)cc1[N+](=O)[O-] ZINC000485383977 515016968 /nfs/dbraw/zinc/01/69/68/515016968.db2.gz MDOXWZMTQLQIQV-UHFFFAOYSA-N 1 2 368.393 2.968 20 5 FFBDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000462486001 515078591 /nfs/dbraw/zinc/07/85/91/515078591.db2.gz PADWHQOPFBXHFZ-AWEZNQCLSA-N 1 2 353.382 2.688 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]Cc3nnnn3CC3CC3)o2)c1 ZINC000472079913 515113934 /nfs/dbraw/zinc/11/39/34/515113934.db2.gz XZMIVLKSGXHRSJ-UHFFFAOYSA-N 1 2 354.370 2.541 20 5 FFBDLO C[C@@H]1C[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000456430687 515179119 /nfs/dbraw/zinc/17/91/19/515179119.db2.gz SGTQENFPSPTNSA-LDYMZIIASA-N 1 2 365.187 2.990 20 5 FFBDLO CNc1c(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)cccc1[N+](=O)[O-] ZINC000462907096 515292178 /nfs/dbraw/zinc/29/21/78/515292178.db2.gz PLFFFVGKEWOJAT-UHFFFAOYSA-N 1 2 355.398 2.562 20 5 FFBDLO CO[C@@H](C)c1nc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cs1 ZINC000477062439 515310341 /nfs/dbraw/zinc/31/03/41/515310341.db2.gz BDDAQPTVOGRART-RYUDHWBXSA-N 1 2 363.443 2.840 20 5 FFBDLO CO[C@@H](C)c1nc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cs1 ZINC000477062439 515310352 /nfs/dbraw/zinc/31/03/52/515310352.db2.gz BDDAQPTVOGRART-RYUDHWBXSA-N 1 2 363.443 2.840 20 5 FFBDLO Cc1[nH+]c2cc(NC(=O)Cc3ccccc3[N+](=O)[O-])ccc2n1[C@H](C)CO ZINC000456737968 515394050 /nfs/dbraw/zinc/39/40/50/515394050.db2.gz XVORNVJTHSPHQV-GFCCVEGCSA-N 1 2 368.393 2.987 20 5 FFBDLO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000505440467 515536235 /nfs/dbraw/zinc/53/62/35/515536235.db2.gz QEJVKTSNNGEHDS-QPJJXVBHSA-N 1 2 367.405 2.772 20 5 FFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000505498844 515558106 /nfs/dbraw/zinc/55/81/06/515558106.db2.gz OKIRZJDESDJURT-QGZVFWFLSA-N 1 2 361.348 2.589 20 5 FFBDLO Cc1cc(N2C[C@H](C)S(=O)[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000477801809 515598007 /nfs/dbraw/zinc/59/80/07/515598007.db2.gz RREBKZMEXJHFDR-STQMWFEESA-N 1 2 360.439 2.706 20 5 FFBDLO COc1cc(Cl)ccc1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459507937 515605557 /nfs/dbraw/zinc/60/55/57/515605557.db2.gz LQTMGFVSKZAIPZ-UHFFFAOYSA-N 1 2 362.817 2.974 20 5 FFBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cnn(CC(F)(F)F)c2)CC1 ZINC000505603776 515605681 /nfs/dbraw/zinc/60/56/81/515605681.db2.gz AMBDRCUJYLCPJG-UHFFFAOYSA-N 1 2 369.347 2.676 20 5 FFBDLO CCc1cc(NCC[C@@H](O)C(F)(F)F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000510684709 515635470 /nfs/dbraw/zinc/63/54/70/515635470.db2.gz MMZAJFNLONMJQT-CYBMUJFWSA-N 1 2 370.331 2.761 20 5 FFBDLO COCC[N@H+](Cc1c(C)nn(C)c1C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000459573272 515662247 /nfs/dbraw/zinc/66/22/47/515662247.db2.gz SBAHILYMKGAZLP-UHFFFAOYSA-N 1 2 362.430 2.602 20 5 FFBDLO COCC[N@@H+](Cc1c(C)nn(C)c1C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000459573272 515662254 /nfs/dbraw/zinc/66/22/54/515662254.db2.gz SBAHILYMKGAZLP-UHFFFAOYSA-N 1 2 362.430 2.602 20 5 FFBDLO C[C@H]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1n1cc[nH+]c1 ZINC000469314122 515766017 /nfs/dbraw/zinc/76/60/17/515766017.db2.gz WNHHXMKOLVNZCK-SWLSCSKDSA-N 1 2 354.370 2.929 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494279919 515793223 /nfs/dbraw/zinc/79/32/23/515793223.db2.gz PLJAOGCBNGEPRP-LLVKDONJSA-N 1 2 357.357 2.909 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494279919 515793228 /nfs/dbraw/zinc/79/32/28/515793228.db2.gz PLJAOGCBNGEPRP-LLVKDONJSA-N 1 2 357.357 2.909 20 5 FFBDLO CC(C)(C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000469454483 515825845 /nfs/dbraw/zinc/82/58/45/515825845.db2.gz KVVMORPTWVUMQF-KRWDZBQOSA-N 1 2 355.394 2.947 20 5 FFBDLO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000494645133 515908404 /nfs/dbraw/zinc/90/84/04/515908404.db2.gz FTUUHJDUPCJALR-NWDGAFQWSA-N 1 2 356.806 2.791 20 5 FFBDLO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000494645133 515908406 /nfs/dbraw/zinc/90/84/06/515908406.db2.gz FTUUHJDUPCJALR-NWDGAFQWSA-N 1 2 356.806 2.791 20 5 FFBDLO Cc1ccsc1[C@@H](CO)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000494670642 515917212 /nfs/dbraw/zinc/91/72/12/515917212.db2.gz GGFPGKXAJQYLLQ-CYBMUJFWSA-N 1 2 360.395 2.838 20 5 FFBDLO CC(C)(NC(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccccc1[N+](=O)[O-] ZINC000487864772 516011707 /nfs/dbraw/zinc/01/17/07/516011707.db2.gz ZOHHFHBCDRFDPF-UHFFFAOYSA-N 1 2 371.441 2.905 20 5 FFBDLO COc1c(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cccc1[N+](=O)[O-] ZINC000470001056 516071991 /nfs/dbraw/zinc/07/19/91/516071991.db2.gz WVYUVXWTZZOJRB-UHFFFAOYSA-N 1 2 360.757 2.835 20 5 FFBDLO COCCOc1cc2c(cc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-])OCO2 ZINC000507168987 516110966 /nfs/dbraw/zinc/11/09/66/516110966.db2.gz UCBCWZPAIBAWBX-UHFFFAOYSA-N 1 2 374.393 2.981 20 5 FFBDLO COCCOc1cc2c(cc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])OCO2 ZINC000507168987 516110977 /nfs/dbraw/zinc/11/09/77/516110977.db2.gz UCBCWZPAIBAWBX-UHFFFAOYSA-N 1 2 374.393 2.981 20 5 FFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@H](Cn2nc(C)nc2C)C1 ZINC000470173821 516160683 /nfs/dbraw/zinc/16/06/83/516160683.db2.gz GCMYUGLNWCICFO-SZJVNEJHSA-N 1 2 371.441 2.607 20 5 FFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@H](Cn2nc(C)nc2C)C1 ZINC000470173821 516160691 /nfs/dbraw/zinc/16/06/91/516160691.db2.gz GCMYUGLNWCICFO-SZJVNEJHSA-N 1 2 371.441 2.607 20 5 FFBDLO CCN(CC)c1ccc(CNC(=O)NCCc2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000465524303 516179209 /nfs/dbraw/zinc/17/92/09/516179209.db2.gz JQWBBLFHPQKYEO-UHFFFAOYSA-N 1 2 371.441 2.878 20 5 FFBDLO O=C(NCc1ccc2cc[nH]c2n1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000461090776 516316601 /nfs/dbraw/zinc/31/66/01/516316601.db2.gz TYDXMKOMWOJWBH-UHFFFAOYSA-N 1 2 362.349 2.587 20 5 FFBDLO Cc1[nH+]c2ccccc2n1CC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000512961555 516426803 /nfs/dbraw/zinc/42/68/03/516426803.db2.gz SXLGIKBMGVUJGU-UHFFFAOYSA-N 1 2 352.394 2.954 20 5 FFBDLO O=C(NCCSCC(F)(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000535814116 516518609 /nfs/dbraw/zinc/51/86/09/516518609.db2.gz YPSGRVBVACBESO-UHFFFAOYSA-N 1 2 374.344 2.806 20 5 FFBDLO O=C(CSc1ccccc1[N+](=O)[O-])NCc1cc[nH+]c(N2CCCC2)c1 ZINC000544049282 516559481 /nfs/dbraw/zinc/55/94/81/516559481.db2.gz DBCUBFPNASJNIZ-UHFFFAOYSA-N 1 2 372.450 2.999 20 5 FFBDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc([N+](=O)[O-])cn3)n2)C1 ZINC000531890592 516694817 /nfs/dbraw/zinc/69/48/17/516694817.db2.gz OYKCZIPHAVJXOB-LLVKDONJSA-N 1 2 361.427 2.931 20 5 FFBDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc([N+](=O)[O-])cn3)n2)C1 ZINC000531890592 516694825 /nfs/dbraw/zinc/69/48/25/516694825.db2.gz OYKCZIPHAVJXOB-LLVKDONJSA-N 1 2 361.427 2.931 20 5 FFBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000558414279 516727618 /nfs/dbraw/zinc/72/76/18/516727618.db2.gz ZWGVRMPWPBJQJX-UHFFFAOYSA-N 1 2 371.384 2.700 20 5 FFBDLO O=[N+]([O-])c1cccc(OCC[NH+]2CCN(c3ncccc3Cl)CC2)c1 ZINC000536346532 516729615 /nfs/dbraw/zinc/72/96/15/516729615.db2.gz SNWWUIFNWAPNSE-UHFFFAOYSA-N 1 2 362.817 2.844 20 5 FFBDLO Cc1ccc(-c2noc(-c3cc([N+](=O)[O-])cn3C)n2)c(N2CCCC2)[nH+]1 ZINC000544441526 516763016 /nfs/dbraw/zinc/76/30/16/516763016.db2.gz FELXAIXRLJORCZ-UHFFFAOYSA-N 1 2 354.370 2.954 20 5 FFBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000540951240 516795051 /nfs/dbraw/zinc/79/50/51/516795051.db2.gz CMYYKYWMWHBSGM-ZDUSSCGKSA-N 1 2 367.471 2.547 20 5 FFBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000540951240 516795056 /nfs/dbraw/zinc/79/50/56/516795056.db2.gz CMYYKYWMWHBSGM-ZDUSSCGKSA-N 1 2 367.471 2.547 20 5 FFBDLO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513995723 516824154 /nfs/dbraw/zinc/82/41/54/516824154.db2.gz ZZEFBSNSFRBRPL-MRXNPFEDSA-N 1 2 374.828 2.833 20 5 FFBDLO CCOC(=O)c1cc(N2CCN(c3c[nH+]ccc3C)CC2)ccc1[N+](=O)[O-] ZINC000541089011 516868662 /nfs/dbraw/zinc/86/86/62/516868662.db2.gz IOVWHYXBWQOUQR-UHFFFAOYSA-N 1 2 370.409 2.802 20 5 FFBDLO COc1cc[nH+]cc1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000562051390 516894870 /nfs/dbraw/zinc/89/48/70/516894870.db2.gz SSPOEKTVLQHOIG-UHFFFAOYSA-N 1 2 366.171 2.691 20 5 FFBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000555376946 516904953 /nfs/dbraw/zinc/90/49/53/516904953.db2.gz GWQMHGGYWJMCQV-HNNXBMFYSA-N 1 2 373.375 2.910 20 5 FFBDLO C[C@@H]1OCC[C@@]1(O)C[N@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000555461989 516935519 /nfs/dbraw/zinc/93/55/19/516935519.db2.gz AWZRCWGJGDQGCO-MGPUTAFESA-N 1 2 372.421 2.843 20 5 FFBDLO C[C@@H]1OCC[C@@]1(O)C[N@@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000555461989 516935526 /nfs/dbraw/zinc/93/55/26/516935526.db2.gz AWZRCWGJGDQGCO-MGPUTAFESA-N 1 2 372.421 2.843 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCNC(=O)[C@H]1Cc1ccccc1 ZINC000555591495 516998297 /nfs/dbraw/zinc/99/82/97/516998297.db2.gz YYBAXSXGMFXQCQ-GOSISDBHSA-N 1 2 369.421 2.537 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCNC(=O)[C@H]1Cc1ccccc1 ZINC000555591495 516998301 /nfs/dbraw/zinc/99/83/01/516998301.db2.gz YYBAXSXGMFXQCQ-GOSISDBHSA-N 1 2 369.421 2.537 20 5 FFBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CCc2ccccc2F)CC1 ZINC000555739609 517094743 /nfs/dbraw/zinc/09/47/43/517094743.db2.gz COKQTTBOVRUQQA-UHFFFAOYSA-N 1 2 357.385 2.734 20 5 FFBDLO O=C(CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccc(F)cc1 ZINC000537518215 517217235 /nfs/dbraw/zinc/21/72/35/517217235.db2.gz FWCFXHYEAQKVSP-UHFFFAOYSA-N 1 2 358.373 2.524 20 5 FFBDLO O=C(NCCCCn1cc[nH+]c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541973347 517316613 /nfs/dbraw/zinc/31/66/13/517316613.db2.gz QQQVGOCZEUWKSZ-UHFFFAOYSA-N 1 2 354.313 2.603 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000542141710 517402756 /nfs/dbraw/zinc/40/27/56/517402756.db2.gz RYBUEXZBXPKMRX-UHFFFAOYSA-N 1 2 372.406 2.772 20 5 FFBDLO COc1cc(C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c([N+](=O)[O-])cc1F ZINC000545930846 517442706 /nfs/dbraw/zinc/44/27/06/517442706.db2.gz BOKAVXHELBUKBL-CQSZACIVSA-N 1 2 366.311 2.878 20 5 FFBDLO Cn1cc[nH+]c1[C@H](N[C@H](CCO)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000562854678 517458954 /nfs/dbraw/zinc/45/89/54/517458954.db2.gz HQNORUBCUPDXTA-NVXWUHKLSA-N 1 2 356.382 2.724 20 5 FFBDLO CN(Cc1cccc(O)c1)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000560022876 517537922 /nfs/dbraw/zinc/53/79/22/517537922.db2.gz PGPWMGOCGZOEGQ-UHFFFAOYSA-N 1 2 357.410 2.769 20 5 FFBDLO CC(=O)NCC[N@H+](Cc1ccc(C)s1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000549410327 517552159 /nfs/dbraw/zinc/55/21/59/517552159.db2.gz YNIXJNCPGKIZAJ-UHFFFAOYSA-N 1 2 363.439 2.809 20 5 FFBDLO CC(=O)NCC[N@@H+](Cc1ccc(C)s1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000549410327 517552167 /nfs/dbraw/zinc/55/21/67/517552167.db2.gz YNIXJNCPGKIZAJ-UHFFFAOYSA-N 1 2 363.439 2.809 20 5 FFBDLO C[NH+](C)[C@@H](CNc1ncnc2cccc([N+](=O)[O-])c21)c1c(F)cccc1F ZINC000542507178 517600526 /nfs/dbraw/zinc/60/05/26/517600526.db2.gz JZKOJMGRTHOLIL-HNNXBMFYSA-N 1 2 373.363 2.953 20 5 FFBDLO C[NH+](C)[C@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(Cl)c1 ZINC000556954505 517772584 /nfs/dbraw/zinc/77/25/84/517772584.db2.gz VHZOXGVCLKPGDR-HNNXBMFYSA-N 1 2 373.800 2.788 20 5 FFBDLO C[NH+](C)[C@@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(Cl)c1 ZINC000556954506 517772662 /nfs/dbraw/zinc/77/26/62/517772662.db2.gz VHZOXGVCLKPGDR-OAHLLOKOSA-N 1 2 373.800 2.788 20 5 FFBDLO Cc1ccc2[nH+]c(CNc3sc(S(C)(=O)=O)cc3[N+](=O)[O-])cn2c1 ZINC000556958120 517774547 /nfs/dbraw/zinc/77/45/47/517774547.db2.gz DHKNYRNHFHLNNO-UHFFFAOYSA-N 1 2 366.424 2.628 20 5 FFBDLO Cn1cc[nH+]c1CN1CCC[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1=O ZINC000543049255 517881400 /nfs/dbraw/zinc/88/14/00/517881400.db2.gz UZYHSNJAPBYERL-ZDUSSCGKSA-N 1 2 363.805 2.585 20 5 FFBDLO CC(C)[N@@H+]1CCc2nc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])sc2C1 ZINC000560623732 517938816 /nfs/dbraw/zinc/93/88/16/517938816.db2.gz ARLOYZVZJPPWOF-UHFFFAOYSA-N 1 2 362.411 2.776 20 5 FFBDLO CC(C)[N@H+]1CCc2nc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])sc2C1 ZINC000560623732 517938830 /nfs/dbraw/zinc/93/88/30/517938830.db2.gz ARLOYZVZJPPWOF-UHFFFAOYSA-N 1 2 362.411 2.776 20 5 FFBDLO C[C@H](NC(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccccc1[N+](=O)[O-] ZINC000539243730 517964414 /nfs/dbraw/zinc/96/44/14/517964414.db2.gz BBYZPBXCWPCNEF-ZDUSSCGKSA-N 1 2 357.414 2.731 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000553928958 517976873 /nfs/dbraw/zinc/97/68/73/517976873.db2.gz YJOCPBIZRMZHTJ-MRXNPFEDSA-N 1 2 355.398 2.547 20 5 FFBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCc3ccc(Br)cc3C2)n1 ZINC000563554846 517980316 /nfs/dbraw/zinc/98/03/16/517980316.db2.gz FSYNNIOROKWHLV-UHFFFAOYSA-N 1 2 351.204 2.612 20 5 FFBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCc3ccc(Br)cc3C2)n1 ZINC000563554846 517980324 /nfs/dbraw/zinc/98/03/24/517980324.db2.gz FSYNNIOROKWHLV-UHFFFAOYSA-N 1 2 351.204 2.612 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000522357820 518086759 /nfs/dbraw/zinc/08/67/59/518086759.db2.gz JNVDEAXXTGMTGT-UHFFFAOYSA-N 1 2 352.350 2.719 20 5 FFBDLO O=C(NCCCCn1cc[nH+]c1)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000575478003 518226192 /nfs/dbraw/zinc/22/61/92/518226192.db2.gz VZDBQSOYGPYKAZ-UHFFFAOYSA-N 1 2 370.413 2.595 20 5 FFBDLO CC(C)Oc1nc(NCc2cc[nH+]c(N3CCCC3)c2)ccc1[N+](=O)[O-] ZINC000566867012 518239222 /nfs/dbraw/zinc/23/92/22/518239222.db2.gz RPIJXHIGBTWIQH-UHFFFAOYSA-N 1 2 357.414 2.806 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000569923962 518357792 /nfs/dbraw/zinc/35/77/92/518357792.db2.gz TVOLXYOSWOXCDA-KRWDZBQOSA-N 1 2 355.394 2.995 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000569923962 518357795 /nfs/dbraw/zinc/35/77/95/518357795.db2.gz TVOLXYOSWOXCDA-KRWDZBQOSA-N 1 2 355.394 2.995 20 5 FFBDLO CC(=O)c1cccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000576724184 518731788 /nfs/dbraw/zinc/73/17/88/518731788.db2.gz OPVFOKAPKIDWRV-UHFFFAOYSA-N 1 2 364.361 2.913 20 5 FFBDLO COc1c(C)[nH+]c(C2CC2)nc1N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000565229875 518852854 /nfs/dbraw/zinc/85/28/54/518852854.db2.gz UKEWTTYXIFYTKW-CYBMUJFWSA-N 1 2 370.413 2.665 20 5 FFBDLO COC(=O)C[C@H]1COCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000589208421 518951187 /nfs/dbraw/zinc/95/11/87/518951187.db2.gz HLHFYUSHOQTMPN-HNNXBMFYSA-N 1 2 360.366 2.619 20 5 FFBDLO COC(=O)C[C@H]1COCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000589208421 518951193 /nfs/dbraw/zinc/95/11/93/518951193.db2.gz HLHFYUSHOQTMPN-HNNXBMFYSA-N 1 2 360.366 2.619 20 5 FFBDLO Cc1cc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc(N2CCCC2)[nH+]1 ZINC000589542325 519028086 /nfs/dbraw/zinc/02/80/86/519028086.db2.gz KQRMNIALWXPIFL-UHFFFAOYSA-N 1 2 356.382 2.534 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1-c1noc([C@@H](c2cccc(Cl)c2)[NH+](C)C)n1 ZINC000565682535 519078821 /nfs/dbraw/zinc/07/88/21/519078821.db2.gz HMYPJFRXDYDIRF-LLVKDONJSA-N 1 2 362.777 2.683 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1-c1noc(C(C)(C)Cc2[nH]c3ccccc3[nH+]2)n1 ZINC000571481665 519116347 /nfs/dbraw/zinc/11/63/47/519116347.db2.gz KGZAYDLRLNCFMP-UHFFFAOYSA-N 1 2 367.369 2.775 20 5 FFBDLO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000583196007 519124553 /nfs/dbraw/zinc/12/45/53/519124553.db2.gz LASMFVSCBLJQMV-INIZCTEOSA-N 1 2 359.430 2.605 20 5 FFBDLO COc1cccc2c1C[N@H+](Cc1cc3c(cc1[N+](=O)[O-])OCCO3)CC2 ZINC000590660573 519305881 /nfs/dbraw/zinc/30/58/81/519305881.db2.gz NWIQAGHJQVDYNP-UHFFFAOYSA-N 1 2 356.378 2.933 20 5 FFBDLO COc1cccc2c1C[N@@H+](Cc1cc3c(cc1[N+](=O)[O-])OCCO3)CC2 ZINC000590660573 519305887 /nfs/dbraw/zinc/30/58/87/519305887.db2.gz NWIQAGHJQVDYNP-UHFFFAOYSA-N 1 2 356.378 2.933 20 5 FFBDLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000590686003 519316916 /nfs/dbraw/zinc/31/69/16/519316916.db2.gz SRGLJVSYQBHNMR-SFHVURJKSA-N 1 2 367.405 2.861 20 5 FFBDLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000590686003 519316922 /nfs/dbraw/zinc/31/69/22/519316922.db2.gz SRGLJVSYQBHNMR-SFHVURJKSA-N 1 2 367.405 2.861 20 5 FFBDLO O=[N+]([O-])c1ccc([C@@H]2CCCN(c3cc(-n4cc[nH+]c4)ncn3)C2)cc1 ZINC000590717395 519331338 /nfs/dbraw/zinc/33/13/38/519331338.db2.gz BKJYFCMETHFEOR-OAHLLOKOSA-N 1 2 350.382 2.955 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C)cn1 ZINC000590754434 519350949 /nfs/dbraw/zinc/35/09/49/519350949.db2.gz HTSRQTNXCLHWFI-CYBMUJFWSA-N 1 2 358.398 2.766 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C)cn1 ZINC000590754434 519350959 /nfs/dbraw/zinc/35/09/59/519350959.db2.gz HTSRQTNXCLHWFI-CYBMUJFWSA-N 1 2 358.398 2.766 20 5 FFBDLO Cn1c2ccccc2cc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1=O ZINC000572012490 519396897 /nfs/dbraw/zinc/39/68/97/519396897.db2.gz PYIGZQTZNQTCSV-UHFFFAOYSA-N 1 2 365.389 2.841 20 5 FFBDLO Cn1c2ccccc2cc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1=O ZINC000572012490 519396903 /nfs/dbraw/zinc/39/69/03/519396903.db2.gz PYIGZQTZNQTCSV-UHFFFAOYSA-N 1 2 365.389 2.841 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H](c3nnc[nH]3)c3cccnc3)c2c1 ZINC000575336969 519596227 /nfs/dbraw/zinc/59/62/27/519596227.db2.gz XBMBUZHFIKOQIY-KRWDZBQOSA-N 1 2 363.381 2.511 20 5 FFBDLO C[C@H]1C[C@@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000599991140 519987887 /nfs/dbraw/zinc/98/78/87/519987887.db2.gz BBZJBBNYKWMJPU-WCBMZHEXSA-N 1 2 365.187 2.990 20 5 FFBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)cc1[N+](=O)[O-] ZINC000594507547 520006124 /nfs/dbraw/zinc/00/61/24/520006124.db2.gz GYGOFISOPBSUBR-ABAIWWIYSA-N 1 2 361.402 2.814 20 5 FFBDLO Cc1ccc(CCNc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)[nH+]c1 ZINC000594584500 520039947 /nfs/dbraw/zinc/03/99/47/520039947.db2.gz JQSKYAUIZQQIAI-UHFFFAOYSA-N 1 2 360.389 2.929 20 5 FFBDLO Cn1nc(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c2ccccc21 ZINC000612692096 520092577 /nfs/dbraw/zinc/09/25/77/520092577.db2.gz ROPQVGSTNFCNSU-UHFFFAOYSA-N 1 2 354.366 2.543 20 5 FFBDLO COc1cc(C[NH2+]Cc2nn(C)c3ccccc23)c([N+](=O)[O-])cc1OC ZINC000612692027 520092922 /nfs/dbraw/zinc/09/29/22/520092922.db2.gz FKEKSSCTZIMQET-UHFFFAOYSA-N 1 2 356.382 2.789 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+](C)Cc2ccn(CC)c2)c([N+](=O)[O-])c1 ZINC000616786275 520138491 /nfs/dbraw/zinc/13/84/91/520138491.db2.gz RVHSZPJPHMQJPL-UHFFFAOYSA-N 1 2 360.414 2.885 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+](C)Cc2ccn(CC)c2)c([N+](=O)[O-])c1 ZINC000616786275 520138500 /nfs/dbraw/zinc/13/85/00/520138500.db2.gz RVHSZPJPHMQJPL-UHFFFAOYSA-N 1 2 360.414 2.885 20 5 FFBDLO COCCOc1ncccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595010203 520254969 /nfs/dbraw/zinc/25/49/69/520254969.db2.gz IRXKUPLZFSFPHI-ZDUSSCGKSA-N 1 2 361.398 2.874 20 5 FFBDLO C[C@](CO)([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccc1 ZINC000609483973 520327088 /nfs/dbraw/zinc/32/70/88/520327088.db2.gz XXWXDRPOSMAVHH-GOSISDBHSA-N 1 2 354.366 2.642 20 5 FFBDLO C[C@@H]1CN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3)c[nH+]2)C[C@@H](C)O1 ZINC000603665192 520338803 /nfs/dbraw/zinc/33/88/03/520338803.db2.gz QGXWVZDXHYQWTQ-ZIAGYGMSSA-N 1 2 370.409 2.533 20 5 FFBDLO O=C(C[NH+]1CCC(Nc2cccnc2[N+](=O)[O-])CC1)Nc1ccccc1 ZINC000603847220 520375551 /nfs/dbraw/zinc/37/55/51/520375551.db2.gz YVZARDOMVFSVHZ-UHFFFAOYSA-N 1 2 355.398 2.505 20 5 FFBDLO COC(=O)C1CCN(c2ccc(-c3cc([N+](=O)[O-])ccc3CO)c[nH+]2)CC1 ZINC000600781446 520465932 /nfs/dbraw/zinc/46/59/32/520465932.db2.gz BVSAXLOKTXEFCH-UHFFFAOYSA-N 1 2 371.393 2.539 20 5 FFBDLO COc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC000604192123 520478574 /nfs/dbraw/zinc/47/85/74/520478574.db2.gz MOLOXQIRNCUADW-UHFFFAOYSA-N 1 2 352.350 2.719 20 5 FFBDLO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595476920 520496388 /nfs/dbraw/zinc/49/63/88/520496388.db2.gz QHDDOQSZMPTTTR-UHFFFAOYSA-N 1 2 351.403 2.934 20 5 FFBDLO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595476920 520496396 /nfs/dbraw/zinc/49/63/96/520496396.db2.gz QHDDOQSZMPTTTR-UHFFFAOYSA-N 1 2 351.403 2.934 20 5 FFBDLO CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(=O)OC(C)(C)C ZINC000592720009 520539853 /nfs/dbraw/zinc/53/98/53/520539853.db2.gz SQWYEDZMKQXEAD-ZDUSSCGKSA-N 1 2 374.397 2.631 20 5 FFBDLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595622674 520602094 /nfs/dbraw/zinc/60/20/94/520602094.db2.gz AFEAZDJMLQXIJF-MNOVXSKESA-N 1 2 364.295 2.907 20 5 FFBDLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595622674 520602102 /nfs/dbraw/zinc/60/21/02/520602102.db2.gz AFEAZDJMLQXIJF-MNOVXSKESA-N 1 2 364.295 2.907 20 5 FFBDLO CC1(CC(F)F)CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000592842200 520613415 /nfs/dbraw/zinc/61/34/15/520613415.db2.gz YVJVCYMLYGZVDU-UHFFFAOYSA-N 1 2 350.325 2.898 20 5 FFBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCc3ccc(Cl)c(Cl)c3C2)c1 ZINC000595658371 520629416 /nfs/dbraw/zinc/62/94/16/520629416.db2.gz UTHPKUQKJQXDEF-GFCCVEGCSA-N 1 2 371.224 2.517 20 5 FFBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCc3ccc(Cl)c(Cl)c3C2)c1 ZINC000595658371 520629427 /nfs/dbraw/zinc/62/94/27/520629427.db2.gz UTHPKUQKJQXDEF-GFCCVEGCSA-N 1 2 371.224 2.517 20 5 FFBDLO C[C@@](CO)([NH2+]Cc1nccn1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000601148590 520660097 /nfs/dbraw/zinc/66/00/97/520660097.db2.gz DQPBWFGCGREECZ-FQEVSTJZSA-N 1 2 366.421 2.837 20 5 FFBDLO COc1ccc2c(c1)CC[N@@H+](CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)C2 ZINC000595760993 520705123 /nfs/dbraw/zinc/70/51/23/520705123.db2.gz YKGIRYGFOQPAQM-UHFFFAOYSA-N 1 2 367.405 2.551 20 5 FFBDLO COc1ccc2c(c1)CC[N@H+](CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)C2 ZINC000595760993 520705131 /nfs/dbraw/zinc/70/51/31/520705131.db2.gz 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2.526 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCOCC2(CCCC2)C1 ZINC000614121189 520812943 /nfs/dbraw/zinc/81/29/43/520812943.db2.gz JQBLFSVASHZMMC-UHFFFAOYSA-N 1 2 370.409 2.813 20 5 FFBDLO COc1ccc(OCC[N@@H+]2C[C@H](C)O[C@@](C)(C(F)F)C2)c([N+](=O)[O-])c1 ZINC000595920934 520825732 /nfs/dbraw/zinc/82/57/32/520825732.db2.gz VCHNARGXBQXNOD-MEDUHNTESA-N 1 2 360.357 2.727 20 5 FFBDLO COc1ccc(OCC[N@H+]2C[C@H](C)O[C@@](C)(C(F)F)C2)c([N+](=O)[O-])c1 ZINC000595920934 520825736 /nfs/dbraw/zinc/82/57/36/520825736.db2.gz VCHNARGXBQXNOD-MEDUHNTESA-N 1 2 360.357 2.727 20 5 FFBDLO CC[C@@H]1COC(C)(C)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000593255364 520861652 /nfs/dbraw/zinc/86/16/52/520861652.db2.gz JJROMFCNXNHKJD-CQSZACIVSA-N 1 2 358.398 2.810 20 5 FFBDLO O=[N+]([O-])c1cc(F)ccc1Cc1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000593298803 520892421 /nfs/dbraw/zinc/89/24/21/520892421.db2.gz CFOSBDMDIQHYEB-UKRRQHHQSA-N 1 2 362.361 2.634 20 5 FFBDLO 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O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC(=O)CC12CCC2 ZINC000891836680 965188556 /nfs/dbraw/zinc/18/85/56/965188556.db2.gz ZYCNMTNRRLJCKR-UHFFFAOYSA-N 1 2 354.366 2.508 20 5 FFBDLO C[C@@H](Cc1cccc(F)c1)[N@H+](C)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000840166803 970535065 /nfs/dbraw/zinc/53/50/65/970535065.db2.gz NCSNXKPGGWFMAN-LBPRGKRZSA-N 1 2 371.368 2.850 20 5 FFBDLO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000840166803 970535071 /nfs/dbraw/zinc/53/50/71/970535071.db2.gz NCSNXKPGGWFMAN-LBPRGKRZSA-N 1 2 371.368 2.850 20 5 FFBDLO O=C1NCCC2(CC[NH+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)O1 ZINC000897017382 973156160 /nfs/dbraw/zinc/15/61/60/973156160.db2.gz BXOHXHLFTYJURV-UHFFFAOYSA-N 1 2 371.340 2.661 20 5 FFBDLO C[C@H](CNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1[N+](=O)[O-] ZINC000897070318 973219141 /nfs/dbraw/zinc/21/91/41/973219141.db2.gz DJTSSNDQUMFWLP-CABCVRRESA-N 1 2 357.414 2.942 20 5 FFBDLO CCOC(=O)Cc1ccc(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000825832341 1014095351 /nfs/dbraw/zinc/09/53/51/1014095351.db2.gz ORJCXAYKSYHRCZ-KSSFIOAISA-N 1 2 372.425 2.984 20 5 FFBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NC(=O)Nc1ccccc1 ZINC000130429166 975496178 /nfs/dbraw/zinc/49/61/78/975496178.db2.gz MIWITZPMKCQMLM-UHFFFAOYSA-N 1 2 368.393 2.908 20 5 FFBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NC(=O)Nc1ccccc1 ZINC000130429166 975496185 /nfs/dbraw/zinc/49/61/85/975496185.db2.gz MIWITZPMKCQMLM-UHFFFAOYSA-N 1 2 368.393 2.908 20 5 FFBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000905733878 980501353 /nfs/dbraw/zinc/50/13/53/980501353.db2.gz JXCZVYJSQSIQRF-LBPRGKRZSA-N 1 2 374.422 2.871 20 5 FFBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000905733878 980501356 /nfs/dbraw/zinc/50/13/56/980501356.db2.gz JXCZVYJSQSIQRF-LBPRGKRZSA-N 1 2 374.422 2.871 20 5 FFBDLO C[C@H](OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nc(C2CC2)no1 ZINC000761178709 984867799 /nfs/dbraw/zinc/86/77/99/984867799.db2.gz VMWUZPQHHWPOHA-JTQLQIEISA-N 1 2 369.337 2.959 20 5 FFBDLO C[C@@H](OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nc(C2CC2)no1 ZINC000761178711 984868206 /nfs/dbraw/zinc/86/82/06/984868206.db2.gz VMWUZPQHHWPOHA-SNVBAGLBSA-N 1 2 369.337 2.959 20 5 FFBDLO Cc1nn(C[NH+]2CCC(N(C)C(=O)OC(C)(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000170957366 985187058 /nfs/dbraw/zinc/18/70/58/985187058.db2.gz KNEJMSLHMNCLQT-UHFFFAOYSA-N 1 2 367.450 2.697 20 5 FFBDLO COc1cccc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c1[N+](=O)[O-] ZINC000194138424 989167878 /nfs/dbraw/zinc/16/78/78/989167878.db2.gz HZCVGPPFORPAHE-UHFFFAOYSA-N 1 2 371.393 2.688 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000194484947 989296702 /nfs/dbraw/zinc/29/67/02/989296702.db2.gz CLJQAKLDKOFEGY-UHFFFAOYSA-N 1 2 355.394 2.988 20 5 FFBDLO CC(C)(CCc1noc(-c2cccc(C[NH+]3CCOCC3)c2)n1)[N+](=O)[O-] ZINC000812815418 995537738 /nfs/dbraw/zinc/53/77/38/995537738.db2.gz LTWRYVYNOXWKSQ-UHFFFAOYSA-N 1 2 360.414 2.557 20 5 FFBDLO CN(C)c1cc(F)c(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000826733296 1016042518 /nfs/dbraw/zinc/04/25/18/1016042518.db2.gz GRSZNGNZTUDZEZ-UHFFFAOYSA-N 1 2 361.377 2.543 20 5 FFBDLO CN(C)c1cc(F)c(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1[N+](=O)[O-] ZINC000826733296 1016042528 /nfs/dbraw/zinc/04/25/28/1016042528.db2.gz GRSZNGNZTUDZEZ-UHFFFAOYSA-N 1 2 361.377 2.543 20 5 FFBDLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000731670498 998134309 /nfs/dbraw/zinc/13/43/09/998134309.db2.gz WSKCOXIYLGPYDT-CQSZACIVSA-N 1 2 365.430 2.915 20 5 FFBDLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000731670498 998134312 /nfs/dbraw/zinc/13/43/12/998134312.db2.gz WSKCOXIYLGPYDT-CQSZACIVSA-N 1 2 365.430 2.915 20 5 FFBDLO CC(C)(C)n1ncc2c1nc[nH+]c2NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000767442560 1000113473 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ZINC000886023950 1008517913 /nfs/dbraw/zinc/51/79/13/1008517913.db2.gz VTAGFTZJQJMWGM-UHFFFAOYSA-N 1 2 354.366 2.505 20 5 FFBDLO O=C1OCCN1c1cccc2c1CC[N@H+](Cc1cccnc1[N+](=O)[O-])C2 ZINC000886023950 1008517919 /nfs/dbraw/zinc/51/79/19/1008517919.db2.gz VTAGFTZJQJMWGM-UHFFFAOYSA-N 1 2 354.366 2.505 20 5 FFBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000826697164 1010422170 /nfs/dbraw/zinc/42/21/70/1010422170.db2.gz XJWYVNWSJAUKTF-MRXNPFEDSA-N 1 2 355.394 2.910 20 5 FFBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000826697164 1010422176 /nfs/dbraw/zinc/42/21/76/1010422176.db2.gz XJWYVNWSJAUKTF-MRXNPFEDSA-N 1 2 355.394 2.910 20 5 FFBDLO O=C(N[C@H](C1CCC1)[C@H]1CCOC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000871305471 1012842567 /nfs/dbraw/zinc/84/25/67/1012842567.db2.gz BOUKLHXIFZSFGC-MAUKXSAKSA-N 1 2 370.409 2.716 20 5 FFBDLO O=C(CNc1ccccc1[N+](=O)[O-])NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000748728746 1017579469 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WNUDVLXHFZUGQC-UHFFFAOYSA-N 1 2 360.183 2.562 20 5 FFBDLO C[N@H+](CCCF)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC001119338798 1022698500 /nfs/dbraw/zinc/69/85/00/1022698500.db2.gz WNUDVLXHFZUGQC-UHFFFAOYSA-N 1 2 360.183 2.562 20 5 FFBDLO CN(C)c1cc[nH+]c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1 ZINC000753022222 1023254371 /nfs/dbraw/zinc/25/43/71/1023254371.db2.gz VWTDZBZKGMSZIZ-UHFFFAOYSA-N 1 2 355.398 2.908 20 5 FFBDLO COC(=O)[C@@H]1CCCC[C@@H]1OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000755793088 1023637584 /nfs/dbraw/zinc/63/75/84/1023637584.db2.gz QLSIMHDYYFFCIT-CJNGLKHVSA-N 1 2 373.365 2.669 20 5 FFBDLO O=C1Nc2ccccc2CC[C@H]1[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000191938355 1023941232 /nfs/dbraw/zinc/94/12/32/1023941232.db2.gz OPMMDNVEISEUFV-LJQANCHMSA-N 1 2 366.421 2.670 20 5 FFBDLO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCNc1cccc[nH+]1 ZINC000639964045 1026529510 /nfs/dbraw/zinc/52/95/10/1026529510.db2.gz BMIUCSYYIQTUIL-UHFFFAOYSA-N 1 2 372.428 2.778 20 5 FFBDLO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000839991353 1026901523 /nfs/dbraw/zinc/90/15/23/1026901523.db2.gz DOONIGWZXPZMPP-ACJLOTCBSA-N 1 2 357.366 2.572 20 5 FFBDLO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000839991353 1026901527 /nfs/dbraw/zinc/90/15/27/1026901527.db2.gz DOONIGWZXPZMPP-ACJLOTCBSA-N 1 2 357.366 2.572 20 5 FFBDLO O=[N+]([O-])c1ccc2nc(N3CC[C@H]([NH+]4CCCC4)C(F)(F)C3)cnc2c1 ZINC001158626259 1027078282 /nfs/dbraw/zinc/07/82/82/1027078282.db2.gz ZRUZHCMUKFDMHN-HNNXBMFYSA-N 1 2 363.368 2.848 20 5 FFBDLO CC(C)(CNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC001161941362 1028371420 /nfs/dbraw/zinc/37/14/20/1028371420.db2.gz HUGRXVQWDHUYRC-UHFFFAOYSA-N 1 2 364.833 2.741 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000780766588 1028802228 /nfs/dbraw/zinc/80/22/28/1028802228.db2.gz HLFYRVOYYQDFSA-DLBZAZTESA-N 1 2 372.425 2.693 20 5 FFBDLO C[C@H]1C[C@@H]1c1cc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n[nH]1 ZINC001163246605 1028853320 /nfs/dbraw/zinc/85/33/20/1028853320.db2.gz BDMWRWSBHRLUCG-JQWIXIFHSA-N 1 2 352.354 2.879 20 5 FFBDLO COC(=O)c1cnc(N(C)Cc2ccc(-n3cc[nH+]c3)cc2)c([N+](=O)[O-])c1 ZINC001156782719 1029344491 /nfs/dbraw/zinc/34/44/91/1029344491.db2.gz ANQSZYOZRLBSOW-UHFFFAOYSA-N 1 2 367.365 2.599 20 5 FFBDLO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCc3onc(Cn4cc[nH+]c4)c3C2)n1 ZINC001165549135 1030023285 /nfs/dbraw/zinc/02/32/85/1030023285.db2.gz JNARPARICGQEQE-UHFFFAOYSA-N 1 2 374.788 2.747 20 5 FFBDLO C[C@@H](Oc1c(O)cccc1[N+](=O)[O-])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001226333173 1034633083 /nfs/dbraw/zinc/63/30/83/1034633083.db2.gz HSQMWUSMFPLGPP-RDTXWAMCSA-N 1 2 358.394 2.969 20 5 FFBDLO C[C@@H](Oc1c(O)cccc1[N+](=O)[O-])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001226333173 1034633091 /nfs/dbraw/zinc/63/30/91/1034633091.db2.gz HSQMWUSMFPLGPP-RDTXWAMCSA-N 1 2 358.394 2.969 20 5 FFBDLO C[C@H](c1ccccn1)[N@@H+]1CCC[C@@H](Oc2[nH]cc([N+](=O)[O-])c3ncnc2-3)C1 ZINC001227692262 1035675538 /nfs/dbraw/zinc/67/55/38/1035675538.db2.gz VQNJGUXVZNIZBF-CHWSQXEVSA-N 1 2 368.397 2.866 20 5 FFBDLO C[C@H](c1ccccn1)[N@H+]1CCC[C@@H](Oc2[nH]cc([N+](=O)[O-])c3ncnc2-3)C1 ZINC001227692262 1035675546 /nfs/dbraw/zinc/67/55/46/1035675546.db2.gz VQNJGUXVZNIZBF-CHWSQXEVSA-N 1 2 368.397 2.866 20 5 FFBDLO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1cccnc1 ZINC001536390159 1069969414 /nfs/dbraw/zinc/96/94/14/1069969414.db2.gz XQYZFKBCTVMPLA-UHFFFAOYSA-N 1 2 365.393 2.883 20 5 FFBDLO Cc1cc2nc3nc(=O)[nH]c(O[C@H]4C[C@H]5CC[C@@H](C4)[N@H+]5C)c3nc2cc1C ZINC001228687435 1036256875 /nfs/dbraw/zinc/25/68/75/1036256875.db2.gz WNWHYIVETNLIBD-WDNDVIMCSA-N 1 2 365.437 2.899 20 5 FFBDLO Cc1cc2nc3nc(=O)[nH]c(O[C@H]4C[C@H]5CC[C@@H](C4)[N@@H+]5C)c3nc2cc1C ZINC001228687435 1036256889 /nfs/dbraw/zinc/25/68/89/1036256889.db2.gz WNWHYIVETNLIBD-WDNDVIMCSA-N 1 2 365.437 2.899 20 5 FFBDLO Cc1cc2nc3nc(=O)[nH]c(O[C@H]4CCC[N@@H+](C)CC4)c3nc2cc1C ZINC001228687155 1036256956 /nfs/dbraw/zinc/25/69/56/1036256956.db2.gz SJTCNKBBAPMYFN-ZDUSSCGKSA-N 1 2 353.426 2.759 20 5 FFBDLO Cc1cc2nc3nc(=O)[nH]c(O[C@H]4CCC[N@H+](C)CC4)c3nc2cc1C ZINC001228687155 1036256971 /nfs/dbraw/zinc/25/69/71/1036256971.db2.gz SJTCNKBBAPMYFN-ZDUSSCGKSA-N 1 2 353.426 2.759 20 5 FFBDLO O=[N+]([O-])c1ccc(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC001233702000 1036723337 /nfs/dbraw/zinc/72/33/37/1036723337.db2.gz IWRKAUYESWDOSO-MRXNPFEDSA-N 1 2 373.365 2.783 20 5 FFBDLO O=[N+]([O-])c1ccc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC001233702000 1036723357 /nfs/dbraw/zinc/72/33/57/1036723357.db2.gz IWRKAUYESWDOSO-MRXNPFEDSA-N 1 2 373.365 2.783 20 5 FFBDLO O=[N+]([O-])c1ncc(Cl)cc1OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001233713657 1036728471 /nfs/dbraw/zinc/72/84/71/1036728471.db2.gz VLLVIDCVIJHHME-OAHLLOKOSA-N 1 2 363.801 2.923 20 5 FFBDLO O=[N+]([O-])c1ncc(Cl)cc1OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001233713657 1036728490 /nfs/dbraw/zinc/72/84/90/1036728490.db2.gz VLLVIDCVIJHHME-OAHLLOKOSA-N 1 2 363.801 2.923 20 5 FFBDLO C[N@@H+]1CCO[C@@H](COc2ccc(NC(=O)OC(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC001234535507 1037078424 /nfs/dbraw/zinc/07/84/24/1037078424.db2.gz KSZTVESADUUULU-CYBMUJFWSA-N 1 2 367.402 2.651 20 5 FFBDLO C[N@H+]1CCO[C@@H](COc2ccc(NC(=O)OC(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC001234535507 1037078442 /nfs/dbraw/zinc/07/84/42/1037078442.db2.gz KSZTVESADUUULU-CYBMUJFWSA-N 1 2 367.402 2.651 20 5 FFBDLO C[NH+]1CCN(c2ccc3[nH]c(-c4ccc([N+](=O)[O-])cc4O)nc3c2)CC1 ZINC001251009052 1038893955 /nfs/dbraw/zinc/89/39/55/1038893955.db2.gz BQPHOTQZLASSSH-UHFFFAOYSA-N 1 2 353.382 2.596 20 5 FFBDLO Cc1c(Nc2ccc(N3CCC(O)CC3)[nH+]c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001211291843 1040063600 /nfs/dbraw/zinc/06/36/00/1040063600.db2.gz FEGCEXFPRAZLFR-UHFFFAOYSA-N 1 2 373.369 2.911 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCO[C@H](C(F)(F)F)C3)CC2)cc1 ZINC001254479859 1040745320 /nfs/dbraw/zinc/74/53/20/1040745320.db2.gz NWAYHUODNIFIBT-HNNXBMFYSA-N 1 2 359.348 2.827 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CCO[C@H](C(F)(F)F)C3)CC2)cc1 ZINC001254479859 1040745336 /nfs/dbraw/zinc/74/53/36/1040745336.db2.gz NWAYHUODNIFIBT-HNNXBMFYSA-N 1 2 359.348 2.827 20 5 FFBDLO CC(C)(C)OC(=O)N1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)[C@@H]2C[C@@H]21 ZINC001254594030 1040822870 /nfs/dbraw/zinc/82/28/70/1040822870.db2.gz PLYGRFIZQFWBGA-ZACQAIPSSA-N 1 2 359.426 2.756 20 5 FFBDLO CC(C)(C)OC(=O)N1CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)[C@@H]2C[C@@H]21 ZINC001254594030 1040822878 /nfs/dbraw/zinc/82/28/78/1040822878.db2.gz PLYGRFIZQFWBGA-ZACQAIPSSA-N 1 2 359.426 2.756 20 5 FFBDLO CC(=O)NCCn1c2ccccc2[nH+]c1Nc1cc([N+](=O)[O-])cnc1C ZINC001249545775 1040859431 /nfs/dbraw/zinc/85/94/31/1040859431.db2.gz NSDXNNOVRXFAEZ-UHFFFAOYSA-N 1 2 354.370 2.528 20 5 FFBDLO C[NH+]1CCN(C(=O)c2ccc3[nH]c(-c4ccccc4[N+](=O)[O-])nc3c2)CC1 ZINC001250746361 1041340729 /nfs/dbraw/zinc/34/07/29/1041340729.db2.gz YTBRBGJITBBOJA-UHFFFAOYSA-N 1 2 365.393 2.526 20 5 FFBDLO COCCO[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC001262270789 1041625106 /nfs/dbraw/zinc/62/51/06/1041625106.db2.gz HWOMVDRFFUBIBX-ZDUSSCGKSA-N 1 2 359.220 2.595 20 5 FFBDLO COCCO[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC001262270789 1041625109 /nfs/dbraw/zinc/62/51/09/1041625109.db2.gz HWOMVDRFFUBIBX-ZDUSSCGKSA-N 1 2 359.220 2.595 20 5 FFBDLO CC(=O)NCCn1c2ccccc2[nH+]c1Nc1cc(F)cc([N+](=O)[O-])c1 ZINC001216481951 1042038077 /nfs/dbraw/zinc/03/80/77/1042038077.db2.gz LTCPPZHSPHAUED-UHFFFAOYSA-N 1 2 357.345 2.963 20 5 FFBDLO Cc1cccc(NC[C@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC001324285134 1045954554 /nfs/dbraw/zinc/95/45/54/1045954554.db2.gz KAPGNOYBZDNFIT-OAHLLOKOSA-N 1 2 369.425 2.813 20 5 FFBDLO Cc1cccc(NC[C@H]2CCC[N@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC001324285134 1045954566 /nfs/dbraw/zinc/95/45/66/1045954566.db2.gz KAPGNOYBZDNFIT-OAHLLOKOSA-N 1 2 369.425 2.813 20 5 FFBDLO C[C@@H](Cc1cccnc1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001540023098 1070745792 /nfs/dbraw/zinc/74/57/92/1070745792.db2.gz FJEOVGARKSONFW-ZDUSSCGKSA-N 1 2 351.366 2.537 20 5 FFBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC001287945026 1047377711 /nfs/dbraw/zinc/37/77/11/1047377711.db2.gz AMOSDRMWHLMFCD-SFHVURJKSA-N 1 2 354.410 2.577 20 5 FFBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC001287945026 1047377725 /nfs/dbraw/zinc/37/77/25/1047377725.db2.gz AMOSDRMWHLMFCD-SFHVURJKSA-N 1 2 354.410 2.577 20 5 FFBDLO CC(C)c1nccnc1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001289190383 1047589312 /nfs/dbraw/zinc/58/93/12/1047589312.db2.gz WHXVKEIBOWITEA-UHFFFAOYSA-N 1 2 352.354 2.946 20 5 FFBDLO O=C(N1CC(Oc2cc[nH+]cc2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001292922161 1049439823 /nfs/dbraw/zinc/43/98/23/1049439823.db2.gz WFKUHJDBHXTGQU-UHFFFAOYSA-N 1 2 353.378 2.701 20 5 FFBDLO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCc1ccn2cc[nH+]c2c1 ZINC001294904072 1049833496 /nfs/dbraw/zinc/83/34/96/1049833496.db2.gz BVRXMWFYTMEBSI-UHFFFAOYSA-N 1 2 352.350 2.522 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001297208266 1050132166 /nfs/dbraw/zinc/13/21/66/1050132166.db2.gz FRYOZKGOYSAIKS-ZDUSSCGKSA-N 1 2 362.817 2.930 20 5 FFBDLO Nc1c(Cl)cc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC001297261959 1050136141 /nfs/dbraw/zinc/13/61/41/1050136141.db2.gz YSAVEFNBUDVCBM-GFCCVEGCSA-N 1 2 362.773 2.519 20 5 FFBDLO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001305935591 1051974374 /nfs/dbraw/zinc/97/43/74/1051974374.db2.gz YEGZICSWHPXHSH-UHFFFAOYSA-N 1 2 358.398 2.568 20 5 FFBDLO C[N@H+](CC[N+](=O)[O-])Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC001334854312 1053116732 /nfs/dbraw/zinc/11/67/32/1053116732.db2.gz WRLSTSJAXYYIPP-ZDUSSCGKSA-N 1 2 373.247 2.715 20 5 FFBDLO C[N@@H+](CC[N+](=O)[O-])Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC001334854312 1053116734 /nfs/dbraw/zinc/11/67/34/1053116734.db2.gz WRLSTSJAXYYIPP-ZDUSSCGKSA-N 1 2 373.247 2.715 20 5 FFBDLO COc1cccc([C@@H]2CN(C(=O)c3cc(C)ccc3[N+](=O)[O-])CC[NH2+]2)c1 ZINC001337379100 1054703463 /nfs/dbraw/zinc/70/34/63/1054703463.db2.gz SOYVOHKHHULFAN-KRWDZBQOSA-N 1 2 355.394 2.699 20 5 FFBDLO COc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2cccnc2)cc1[N+](=O)[O-] ZINC001337591348 1054872784 /nfs/dbraw/zinc/87/27/84/1054872784.db2.gz QHIMRQGCQXUWNK-MRXNPFEDSA-N 1 2 370.409 2.992 20 5 FFBDLO COc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)cc1[N+](=O)[O-] ZINC001337591348 1054872799 /nfs/dbraw/zinc/87/27/99/1054872799.db2.gz QHIMRQGCQXUWNK-MRXNPFEDSA-N 1 2 370.409 2.992 20 5 FFBDLO Cc1c[nH+]cc(C)c1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001339114569 1056105707 /nfs/dbraw/zinc/10/57/07/1056105707.db2.gz VBSCLWAIMIDBED-UHFFFAOYSA-N 1 2 354.410 2.884 20 5 FFBDLO O=C(NCC1Cc2ccccc2C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001353661406 1056619007 /nfs/dbraw/zinc/61/90/07/1056619007.db2.gz SLNMKXKXWCTNAU-UHFFFAOYSA-N 1 2 362.389 2.925 20 5 FFBDLO O=C(Nc1cc([C@@H]2CCCO2)[nH]n1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001452435541 1059222287 /nfs/dbraw/zinc/22/22/87/1059222287.db2.gz UKNMCFLAMBVLGZ-HNNXBMFYSA-N 1 2 368.353 2.607 20 5 FFBDLO COc1cc(C(=O)OCCc2cn3c([nH+]2)CCCC3)c([N+](=O)[O-])cc1F ZINC001515201088 1059429813 /nfs/dbraw/zinc/42/98/13/1059429813.db2.gz XLJLIGXIHWRJMA-UHFFFAOYSA-N 1 2 363.345 2.675 20 5 FFBDLO C[C@H]1OCC[C@@]12C[N@H+](Cn1cc(-c3ccccc3[N+](=O)[O-])cn1)C[C@@H](C)O2 ZINC000848487337 1060133912 /nfs/dbraw/zinc/13/39/12/1060133912.db2.gz QZVUFVCXUWXGDF-SPYBWZPUSA-N 1 2 372.425 2.684 20 5 FFBDLO C[C@H]1OCC[C@@]12C[N@@H+](Cn1cc(-c3ccccc3[N+](=O)[O-])cn1)C[C@@H](C)O2 ZINC000848487337 1060133918 /nfs/dbraw/zinc/13/39/18/1060133918.db2.gz QZVUFVCXUWXGDF-SPYBWZPUSA-N 1 2 372.425 2.684 20 5 FFBDLO O=C(N1CCC(c2c[nH]c[nH+]2)CC1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848585112 1060313858 /nfs/dbraw/zinc/31/38/58/1060313858.db2.gz LOPBDKLCIROXRM-UHFFFAOYSA-N 1 2 366.324 2.696 20 5 FFBDLO O=C(N1CCC(c2c[nH+]c[nH]2)CC1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848585112 1060313881 /nfs/dbraw/zinc/31/38/81/1060313881.db2.gz LOPBDKLCIROXRM-UHFFFAOYSA-N 1 2 366.324 2.696 20 5 FFBDLO C[C@@H]1Cc2n[nH]cc2C[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001460779206 1061098447 /nfs/dbraw/zinc/09/84/47/1061098447.db2.gz NSWCEWOUKKOGNL-LLVKDONJSA-N 1 2 354.370 2.562 20 5 FFBDLO C[C@@H]1Cc2n[nH]cc2C[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001460779206 1061098459 /nfs/dbraw/zinc/09/84/59/1061098459.db2.gz NSWCEWOUKKOGNL-LLVKDONJSA-N 1 2 354.370 2.562 20 5 FFBDLO C[C@H](Cc1ccccn1)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001526816621 1061275117 /nfs/dbraw/zinc/27/51/17/1061275117.db2.gz IRATZDUEGCLKFT-CYBMUJFWSA-N 1 2 351.366 2.537 20 5 FFBDLO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001476324757 1061391918 /nfs/dbraw/zinc/39/19/18/1061391918.db2.gz JELVVABIFNJHKX-SECBINFHSA-N 1 2 355.276 2.557 20 5 FFBDLO CCOc1cncc(COC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c1 ZINC001437865058 1062921313 /nfs/dbraw/zinc/92/13/13/1062921313.db2.gz QHFRNRHKDUARAL-UHFFFAOYSA-N 1 2 368.349 2.931 20 5 FFBDLO C[C@@H](NC(=O)NCc1nc(C[NH+](C)C)cs1)c1cccc([N+](=O)[O-])c1 ZINC001468089938 1063925097 /nfs/dbraw/zinc/92/50/97/1063925097.db2.gz RMYLIVNEPDOODG-LLVKDONJSA-N 1 2 363.443 2.673 20 5 FFBDLO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3O)C2)c1 ZINC001470713469 1064423274 /nfs/dbraw/zinc/42/32/74/1064423274.db2.gz QETKVNXOXAIVCJ-HNNXBMFYSA-N 1 2 355.394 2.613 20 5 FFBDLO Cc1cccc(C[N@H+]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3O)C2)c1 ZINC001470713469 1064423280 /nfs/dbraw/zinc/42/32/80/1064423280.db2.gz QETKVNXOXAIVCJ-HNNXBMFYSA-N 1 2 355.394 2.613 20 5 FFBDLO O=C(NCc1[nH]c2c([nH+]1)CCCC2)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001472065382 1064916303 /nfs/dbraw/zinc/91/63/03/1064916303.db2.gz XUYQKPAJZOPVOO-UHFFFAOYSA-N 1 2 350.325 2.605 20 5 FFBDLO COCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)CC1 ZINC001472646884 1065120764 /nfs/dbraw/zinc/12/07/64/1065120764.db2.gz XJZWVGAEBAPWAA-UHFFFAOYSA-N 1 2 369.421 2.594 20 5 FFBDLO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001473969805 1065429839 /nfs/dbraw/zinc/42/98/39/1065429839.db2.gz VYCWDGOPRMGQSF-ZJUUUORDSA-N 1 2 358.236 2.750 20 5 FFBDLO COc1ccc2ncc([N+](=O)[O-])c(NCCCNc3cccc[nH+]3)c2c1 ZINC001559073223 1076123135 /nfs/dbraw/zinc/12/31/35/1076123135.db2.gz OLUKOOWVHGKYRE-UHFFFAOYSA-N 1 2 353.382 2.883 20 5 FFBDLO Cc1[nH]c([C@@H]2CCCN2S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[nH+]c1C ZINC001561921480 1076445688 /nfs/dbraw/zinc/44/56/88/1076445688.db2.gz IERCZWIHANOAPC-HNNXBMFYSA-N 1 2 364.427 2.602 20 5 FFBDLO CCOc1ccc(C(=O)NCc2cccnc2-n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000042497620 249393081 /nfs/dbraw/zinc/39/30/81/249393081.db2.gz PEGIISPTSQBSJB-UHFFFAOYSA-N 1 2 367.365 2.504 20 5 FFBDLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000103474636 250153563 /nfs/dbraw/zinc/15/35/63/250153563.db2.gz 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ZINC000302099774 258087981 /nfs/dbraw/zinc/08/79/81/258087981.db2.gz PNNNWHFZVPZKGK-UHFFFAOYSA-N 1 2 353.338 2.574 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c1 ZINC000302118475 258089125 /nfs/dbraw/zinc/08/91/25/258089125.db2.gz XBZQACVSZSJLOE-AWEZNQCLSA-N 1 2 370.409 2.660 20 5 FFBDLO Cc1[nH+]c2ccccc2n1CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000302615961 258106800 /nfs/dbraw/zinc/10/68/00/258106800.db2.gz CWPGCLUCKFCBAH-UHFFFAOYSA-N 1 2 374.422 2.769 20 5 FFBDLO Cc1cc(N[C@@H]2CC(=O)N(C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301481171 258052121 /nfs/dbraw/zinc/05/21/21/258052121.db2.gz DWLAKPIXCBOUBU-CYBMUJFWSA-N 1 2 353.382 2.535 20 5 FFBDLO C[C@H]1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000301648524 258060795 /nfs/dbraw/zinc/06/07/95/258060795.db2.gz QQBNQTLEGWMTQH-MEDUHNTESA-N 1 2 354.370 2.528 20 5 FFBDLO O=[N+]([O-])c1cncc(Br)c1N1CC[NH+](C2CCCC2)CC1 ZINC000301853634 258070848 /nfs/dbraw/zinc/07/08/48/258070848.db2.gz YCHZLYKJSFCKPA-UHFFFAOYSA-N 1 2 355.236 2.817 20 5 FFBDLO CS(=O)(=O)c1ccc(NCc2ccccc2-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000301999417 258081109 /nfs/dbraw/zinc/08/11/09/258081109.db2.gz RAEXFTRUKQFWIJ-UHFFFAOYSA-N 1 2 372.406 2.796 20 5 FFBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCCC[C@H]2c2[nH]cc[nH+]2)s1 ZINC000302017825 258082466 /nfs/dbraw/zinc/08/24/66/258082466.db2.gz GHZOXVNLPAPOAZ-VIFPVBQESA-N 1 2 356.429 2.515 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000057439427 136129343 /nfs/dbraw/zinc/12/93/43/136129343.db2.gz XDCXLTKYZFOMGJ-UHFFFAOYSA-N 1 2 354.410 2.664 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000373070475 512156722 /nfs/dbraw/zinc/15/67/22/512156722.db2.gz ODDNPKXKBRIXAF-CQSZACIVSA-N 1 2 358.398 2.503 20 5 FFBDLO COCc1ccccc1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032163557 506233441 /nfs/dbraw/zinc/23/34/41/506233441.db2.gz JJDFDBVLOSTYTL-UHFFFAOYSA-N 1 2 366.377 2.857 20 5 FFBDLO 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507326610 /nfs/dbraw/zinc/32/66/10/507326610.db2.gz DAOUBPZNSVSJNT-UHFFFAOYSA-N 1 2 370.409 2.919 20 5 FFBDLO Cc1cc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000023146151 507334471 /nfs/dbraw/zinc/33/44/71/507334471.db2.gz MDOZMETZURJTER-UHFFFAOYSA-N 1 2 369.421 2.740 20 5 FFBDLO O=C(NC1CC1)c1ccc(NCCc2cn3ccccc3[nH+]2)c([N+](=O)[O-])c1 ZINC000023618105 507362572 /nfs/dbraw/zinc/36/25/72/507362572.db2.gz NHRWZLDCIQIVCE-UHFFFAOYSA-N 1 2 365.393 2.789 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCN(C)c2ccccc2C1 ZINC000069090140 507406195 /nfs/dbraw/zinc/40/61/95/507406195.db2.gz RMVHUACLWSBTAY-UHFFFAOYSA-N 1 2 354.410 2.794 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCN(C)c2ccccc2C1 ZINC000069090140 507406204 /nfs/dbraw/zinc/40/62/04/507406204.db2.gz RMVHUACLWSBTAY-UHFFFAOYSA-N 1 2 354.410 2.794 20 5 FFBDLO CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc[nH+]c2N(C)C)cc1OC ZINC000047975989 507427351 /nfs/dbraw/zinc/42/73/51/507427351.db2.gz INXMPDODRGJUDB-UHFFFAOYSA-N 1 2 360.370 2.715 20 5 FFBDLO O=C(Cc1ccccc1[N+](=O)[O-])NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000024753751 507435789 /nfs/dbraw/zinc/43/57/89/507435789.db2.gz YEHPARZJYXDXIC-UHFFFAOYSA-N 1 2 350.378 2.699 20 5 FFBDLO COc1c(C)c[nH+]c(CN(C)C(=O)CNc2ccccc2[N+](=O)[O-])c1C ZINC000058958633 507486113 /nfs/dbraw/zinc/48/61/13/507486113.db2.gz ZTBLWCIAVYFKJY-UHFFFAOYSA-N 1 2 358.398 2.686 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3nc4ccccc4s3)CC2)nc1 ZINC000060846978 507579724 /nfs/dbraw/zinc/57/97/24/507579724.db2.gz UIXFHUFVCHDLCR-UHFFFAOYSA-N 1 2 355.423 2.922 20 5 FFBDLO O=C(CSc1[nH+]cc2ccccn21)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000026560683 507598017 /nfs/dbraw/zinc/59/80/17/507598017.db2.gz DNPJKGLOFRHRPA-UHFFFAOYSA-N 1 2 372.362 2.702 20 5 FFBDLO Cc1noc(C)c1[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000070934824 507665953 /nfs/dbraw/zinc/66/59/53/507665953.db2.gz ZVSPUZDWBLGHLQ-SNVBAGLBSA-N 1 2 355.354 2.876 20 5 FFBDLO COc1ccc(OC)c(C[NH+]2CCN(c3ccsc3[N+](=O)[O-])CC2)c1 ZINC000063256164 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366.381 2.960 20 5 FFBDLO O=C(c1ccc(O)cc1)N1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000091810925 508014915 /nfs/dbraw/zinc/01/49/15/508014915.db2.gz YNRNGEQUSYQISZ-HWKANZROSA-N 1 2 367.405 2.772 20 5 FFBDLO CC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000074410638 508019761 /nfs/dbraw/zinc/01/97/61/508019761.db2.gz HCHBIUXFAPPAHG-OAHLLOKOSA-N 1 2 358.398 2.716 20 5 FFBDLO Cc1cccn2c(C[NH+]3CCN(c4cccc([N+](=O)[O-])c4)CC3)cnc12 ZINC000092047986 508037722 /nfs/dbraw/zinc/03/77/22/508037722.db2.gz DAPBHVZHCSIJQG-UHFFFAOYSA-N 1 2 351.410 2.873 20 5 FFBDLO Cc1cccn2c(CN3CCN(c4cccc([N+](=O)[O-])c4)CC3)c[nH+]c12 ZINC000092047986 508037725 /nfs/dbraw/zinc/03/77/25/508037725.db2.gz DAPBHVZHCSIJQG-UHFFFAOYSA-N 1 2 351.410 2.873 20 5 FFBDLO CCC(=O)N1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000092187257 508048586 /nfs/dbraw/zinc/04/85/86/508048586.db2.gz JQGOJAQZPKKLDB-UHFFFAOYSA-N 1 2 357.357 2.641 20 5 FFBDLO CCC(=O)N1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 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/nfs/dbraw/zinc/86/00/03/508860003.db2.gz CMYKKCJEGVCEDJ-AUUYWEPGSA-N 1 2 369.421 2.957 20 5 FFBDLO C[C@@H](Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000154806652 508860007 /nfs/dbraw/zinc/86/00/07/508860007.db2.gz CMYKKCJEGVCEDJ-AUUYWEPGSA-N 1 2 369.421 2.957 20 5 FFBDLO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1cc([N+](=O)[O-])ccc1O ZINC000124976820 508913740 /nfs/dbraw/zinc/91/37/40/508913740.db2.gz GVLHQBKSTOMUND-INIZCTEOSA-N 1 2 371.393 2.530 20 5 FFBDLO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1cc([N+](=O)[O-])ccc1O ZINC000124976820 508913743 /nfs/dbraw/zinc/91/37/43/508913743.db2.gz GVLHQBKSTOMUND-INIZCTEOSA-N 1 2 371.393 2.530 20 5 FFBDLO COc1cc[nH+]cc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000131414682 508928101 /nfs/dbraw/zinc/92/81/01/508928101.db2.gz LQQQUXPIJSBXQL-UHFFFAOYSA-N 1 2 356.382 2.854 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000125385080 508975764 /nfs/dbraw/zinc/97/57/64/508975764.db2.gz YAOXCWZEDNWHNV-MRXNPFEDSA-N 1 2 356.382 2.774 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000125385080 508975768 /nfs/dbraw/zinc/97/57/68/508975768.db2.gz YAOXCWZEDNWHNV-MRXNPFEDSA-N 1 2 356.382 2.774 20 5 FFBDLO Cc1cc(C)n2c(C[NH+]3CCN(c4ccccc4[N+](=O)[O-])CC3)cnc2n1 ZINC000160431468 508986087 /nfs/dbraw/zinc/98/60/87/508986087.db2.gz XQLDLIGKJBIKLI-UHFFFAOYSA-N 1 2 366.425 2.577 20 5 FFBDLO O=C(CCc1cccc([N+](=O)[O-])c1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000120477703 509005014 /nfs/dbraw/zinc/00/50/14/509005014.db2.gz QSRQPRDELNHAIW-UHFFFAOYSA-N 1 2 354.410 2.708 20 5 FFBDLO O=C(NCCCNc1cccc[nH+]1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000155660437 509047451 /nfs/dbraw/zinc/04/74/51/509047451.db2.gz HPFAEZQQZUKVIS-UHFFFAOYSA-N 1 2 351.366 2.770 20 5 FFBDLO O=C(C1CC1)N1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000121207353 509150495 /nfs/dbraw/zinc/15/04/95/509150495.db2.gz TZMWZSKXIIYGSL-UHFFFAOYSA-N 1 2 370.409 2.694 20 5 FFBDLO O=C(C1CC1)N1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000121207353 509150500 /nfs/dbraw/zinc/15/05/00/509150500.db2.gz TZMWZSKXIIYGSL-UHFFFAOYSA-N 1 2 370.409 2.694 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000121608915 509179432 /nfs/dbraw/zinc/17/94/32/509179432.db2.gz OGYQLDARYWTYDZ-UHFFFAOYSA-N 1 2 374.378 2.590 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000172708977 509189600 /nfs/dbraw/zinc/18/96/00/509189600.db2.gz ZCLFURJKFJIRMY-GOSISDBHSA-N 1 2 368.368 2.916 20 5 FFBDLO O=[N+]([O-])c1cnc(N2CC[NH+](CCOc3ccccc3Cl)CC2)s1 ZINC000195507250 509200336 /nfs/dbraw/zinc/20/03/36/509200336.db2.gz YCUZYRJNKQHATG-UHFFFAOYSA-N 1 2 368.846 2.906 20 5 FFBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000248066944 509228182 /nfs/dbraw/zinc/22/81/82/509228182.db2.gz RLRVCWQSSZZUBU-UHFFFAOYSA-N 1 2 369.425 2.586 20 5 FFBDLO O=C(Cc1cn2ccccc2[nH+]1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000179151204 509288527 /nfs/dbraw/zinc/28/85/27/509288527.db2.gz HOHCERXDHQOZJG-UHFFFAOYSA-N 1 2 350.378 2.976 20 5 FFBDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176203850 509377047 /nfs/dbraw/zinc/37/70/47/509377047.db2.gz ZCNPFXFQQSQICC-CQSZACIVSA-N 1 2 363.849 2.824 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CCc3c(cccc3OC)C2)c([N+](=O)[O-])c1 ZINC000182723774 509394513 /nfs/dbraw/zinc/39/45/13/509394513.db2.gz DNWRLALVWKTYNM-UHFFFAOYSA-N 1 2 371.393 2.609 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CCc3c(cccc3OC)C2)c([N+](=O)[O-])c1 ZINC000182723774 509394517 /nfs/dbraw/zinc/39/45/17/509394517.db2.gz DNWRLALVWKTYNM-UHFFFAOYSA-N 1 2 371.393 2.609 20 5 FFBDLO CCC[C@@H](C)C[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000179610002 509534796 /nfs/dbraw/zinc/53/47/96/509534796.db2.gz YGWFANMMBMNERN-CQSZACIVSA-N 1 2 369.487 2.557 20 5 FFBDLO Nc1c(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)cccc1[N+](=O)[O-] ZINC000189420495 509567536 /nfs/dbraw/zinc/56/75/36/509567536.db2.gz FIKWAOGWOOZMNQ-UHFFFAOYSA-N 1 2 374.828 2.619 20 5 FFBDLO Nc1c(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)cccc1[N+](=O)[O-] ZINC000189420495 509567542 /nfs/dbraw/zinc/56/75/42/509567542.db2.gz FIKWAOGWOOZMNQ-UHFFFAOYSA-N 1 2 374.828 2.619 20 5 FFBDLO Cc1ccc(C[NH+]2CCN(C(=O)Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000179979042 509697652 /nfs/dbraw/zinc/69/76/52/509697652.db2.gz CRZSGDKSXWZMMU-UHFFFAOYSA-N 1 2 353.422 2.790 20 5 FFBDLO O=C(C[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000183359409 509736779 /nfs/dbraw/zinc/73/67/79/509736779.db2.gz ZNJMNIQWRVFERQ-OAHLLOKOSA-N 1 2 359.357 2.826 20 5 FFBDLO O=C(C[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000183359409 509736786 /nfs/dbraw/zinc/73/67/86/509736786.db2.gz ZNJMNIQWRVFERQ-OAHLLOKOSA-N 1 2 359.357 2.826 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(C)(CO)CC1 ZINC000186891798 509933396 /nfs/dbraw/zinc/93/33/96/509933396.db2.gz YBTXQQYWCBYYRI-NSHDSACASA-N 1 2 355.822 2.670 20 5 FFBDLO C[N@H+](Cc1cc(F)c(F)c(F)c1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000180516585 509963083 /nfs/dbraw/zinc/96/30/83/509963083.db2.gz QSGFAWWIXBYWGA-UHFFFAOYSA-N 1 2 353.300 2.743 20 5 FFBDLO C[N@@H+](Cc1cc(F)c(F)c(F)c1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000180516585 509963087 /nfs/dbraw/zinc/96/30/87/509963087.db2.gz QSGFAWWIXBYWGA-UHFFFAOYSA-N 1 2 353.300 2.743 20 5 FFBDLO C[C@@H](C[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000183993054 510076061 /nfs/dbraw/zinc/07/60/61/510076061.db2.gz DFZOUHQDVIAHEY-LBPRGKRZSA-N 1 2 369.468 2.561 20 5 FFBDLO C[C@@H](C[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000183993054 510076068 /nfs/dbraw/zinc/07/60/68/510076068.db2.gz DFZOUHQDVIAHEY-LBPRGKRZSA-N 1 2 369.468 2.561 20 5 FFBDLO Cc1ccc(C[S@@](=O)Cc2cc([N+](=O)[O-])cc3c2OCOC3)c(C)[nH+]1 ZINC000187211259 510124787 /nfs/dbraw/zinc/12/47/87/510124787.db2.gz NOVZRRZFLOPKRG-RUZDIDTESA-N 1 2 362.407 2.922 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[NH+]2CC(C)(C)OC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000190552330 510201656 /nfs/dbraw/zinc/20/16/56/510201656.db2.gz LHLLUIHQWFZMBV-GFCCVEGCSA-N 1 2 365.430 2.820 20 5 FFBDLO COc1cc(C[NH+]2CCC(N3CCCCC3=O)CC2)c([N+](=O)[O-])cc1F ZINC000184237345 510209920 /nfs/dbraw/zinc/20/99/20/510209920.db2.gz IPHLDASLTDIZMF-UHFFFAOYSA-N 1 2 365.405 2.719 20 5 FFBDLO CCCCCc1[nH+]c2ccccc2n1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174652011 510230664 /nfs/dbraw/zinc/23/06/64/510230664.db2.gz XYRNDZFBVUXZPU-HNNXBMFYSA-N 1 2 357.414 2.935 20 5 FFBDLO COc1cc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc([N+](=O)[O-])c1OC ZINC000265961477 510325375 /nfs/dbraw/zinc/32/53/75/510325375.db2.gz QMEWICLLJJSSIO-GFCCVEGCSA-N 1 2 360.370 2.703 20 5 FFBDLO CC(C)OC(=O)C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000184475659 510343749 /nfs/dbraw/zinc/34/37/49/510343749.db2.gz VPJTUWBYCOWCMB-AWEZNQCLSA-N 1 2 363.414 2.587 20 5 FFBDLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000184475659 510343755 /nfs/dbraw/zinc/34/37/55/510343755.db2.gz VPJTUWBYCOWCMB-AWEZNQCLSA-N 1 2 363.414 2.587 20 5 FFBDLO COc1ccc(C[N@H+](C)[C@H]2CCN(c3ccccc3F)C2=O)cc1[N+](=O)[O-] ZINC000171823356 510393297 /nfs/dbraw/zinc/39/32/97/510393297.db2.gz CHGCIZZKTGZNTP-INIZCTEOSA-N 1 2 373.384 2.980 20 5 FFBDLO COc1ccc(C[N@@H+](C)[C@H]2CCN(c3ccccc3F)C2=O)cc1[N+](=O)[O-] ZINC000171823356 510393302 /nfs/dbraw/zinc/39/33/02/510393302.db2.gz CHGCIZZKTGZNTP-INIZCTEOSA-N 1 2 373.384 2.980 20 5 FFBDLO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccco1 ZINC000184579458 510398721 /nfs/dbraw/zinc/39/87/21/510398721.db2.gz IWMLENBHNAPWSN-RISCZKNCSA-N 1 2 363.370 2.501 20 5 FFBDLO C[C@H](c1nccs1)N1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000184584666 510401785 /nfs/dbraw/zinc/40/17/85/510401785.db2.gz OQMZKCSEUPPKOM-CQSZACIVSA-N 1 2 362.455 2.809 20 5 FFBDLO O=C(NCCCNc1cccc[nH+]1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184644576 510437245 /nfs/dbraw/zinc/43/72/45/510437245.db2.gz KISHVYGCKUSPQQ-UHFFFAOYSA-N 1 2 363.805 2.945 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000194714048 510492208 /nfs/dbraw/zinc/49/22/08/510492208.db2.gz VBVVNTLOCLSCLZ-OAHLLOKOSA-N 1 2 354.410 2.817 20 5 FFBDLO CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccn3cc[nH+]c3c2)cc1OC ZINC000178385833 510577646 /nfs/dbraw/zinc/57/76/46/510577646.db2.gz SPVHMRLUCVVZLE-UHFFFAOYSA-N 1 2 370.365 2.580 20 5 FFBDLO O=C(NCc1ccnc(-n2cc[nH+]c2)c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000194990850 510622776 /nfs/dbraw/zinc/62/27/76/510622776.db2.gz SPHRTGKZIVGWGP-UHFFFAOYSA-N 1 2 357.757 2.759 20 5 FFBDLO C[C@@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1cccc([N+](=O)[O-])c1 ZINC000178733534 510744909 /nfs/dbraw/zinc/74/49/09/510744909.db2.gz WETBIGYLNKGBII-HIFRSBDPSA-N 1 2 355.398 2.629 20 5 FFBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000270337553 510767274 /nfs/dbraw/zinc/76/72/74/510767274.db2.gz ZMYHYIAIZIMJCE-LBPRGKRZSA-N 1 2 353.382 2.748 20 5 FFBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000270337550 510767691 /nfs/dbraw/zinc/76/76/91/510767691.db2.gz ZMYHYIAIZIMJCE-GFCCVEGCSA-N 1 2 353.382 2.748 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CCn2c[nH+]c3cc(F)c(F)cc32)cc1 ZINC000182202824 510812364 /nfs/dbraw/zinc/81/23/64/510812364.db2.gz VTQVYOZCYMGDON-UHFFFAOYSA-N 1 2 367.333 2.697 20 5 FFBDLO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000270693155 510952889 /nfs/dbraw/zinc/95/28/89/510952889.db2.gz KGNNYSGPJXPAEM-ZDUSSCGKSA-N 1 2 366.381 2.523 20 5 FFBDLO CC(C)c1nnc(NC(=O)C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000282562224 511027529 /nfs/dbraw/zinc/02/75/29/511027529.db2.gz YNJYTBFLYCMXHW-UHFFFAOYSA-N 1 2 363.443 2.683 20 5 FFBDLO CC(C)c1nnc(NC(=O)C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000282562224 511027533 /nfs/dbraw/zinc/02/75/33/511027533.db2.gz YNJYTBFLYCMXHW-UHFFFAOYSA-N 1 2 363.443 2.683 20 5 FFBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282688303 511073942 /nfs/dbraw/zinc/07/39/42/511073942.db2.gz DPIWWEADSAXCFQ-CYBMUJFWSA-N 1 2 369.425 2.730 20 5 FFBDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)CCO2 ZINC000280251186 511391659 /nfs/dbraw/zinc/39/16/59/511391659.db2.gz BYUZNGKUAOWMFP-UGSOOPFHSA-N 1 2 359.382 2.630 20 5 FFBDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)CCO2 ZINC000280251186 511391662 /nfs/dbraw/zinc/39/16/62/511391662.db2.gz BYUZNGKUAOWMFP-UGSOOPFHSA-N 1 2 359.382 2.630 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000363195343 511411140 /nfs/dbraw/zinc/41/11/40/511411140.db2.gz FHJMYKHPAXSDPN-OAHLLOKOSA-N 1 2 370.409 2.728 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000363195343 511411144 /nfs/dbraw/zinc/41/11/44/511411144.db2.gz FHJMYKHPAXSDPN-OAHLLOKOSA-N 1 2 370.409 2.728 20 5 FFBDLO CC(C)(CCc1nc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1)[N+](=O)[O-] ZINC000295776419 511512613 /nfs/dbraw/zinc/51/26/13/511512613.db2.gz CDAUEEOSLIJTBB-HNNXBMFYSA-N 1 2 360.414 2.631 20 5 FFBDLO CC(C)(CCc1nc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1)[N+](=O)[O-] ZINC000295776419 511512617 /nfs/dbraw/zinc/51/26/17/511512617.db2.gz CDAUEEOSLIJTBB-HNNXBMFYSA-N 1 2 360.414 2.631 20 5 FFBDLO CCc1ccc([C@H](CNC(=O)c2cccc(O)c2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000280792111 511604367 /nfs/dbraw/zinc/60/43/67/511604367.db2.gz OZKPSSDLQOUJEQ-INIZCTEOSA-N 1 2 357.410 2.896 20 5 FFBDLO O=[N+]([O-])c1ccc2oc(-c3nc([C@@H]4C[N@@H+](C5CC5)CCO4)no3)cc2c1 ZINC000273865718 511636313 /nfs/dbraw/zinc/63/63/13/511636313.db2.gz MNMZMSHTZJPAEW-HNNXBMFYSA-N 1 2 356.338 2.927 20 5 FFBDLO O=[N+]([O-])c1ccc2oc(-c3nc([C@@H]4C[N@H+](C5CC5)CCO4)no3)cc2c1 ZINC000273865718 511636314 /nfs/dbraw/zinc/63/63/14/511636314.db2.gz MNMZMSHTZJPAEW-HNNXBMFYSA-N 1 2 356.338 2.927 20 5 FFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000280951462 511663857 /nfs/dbraw/zinc/66/38/57/511663857.db2.gz IVEPHAMBGSWYJI-GOEBONIOSA-N 1 2 370.409 2.608 20 5 FFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000280951462 511663860 /nfs/dbraw/zinc/66/38/60/511663860.db2.gz IVEPHAMBGSWYJI-GOEBONIOSA-N 1 2 370.409 2.608 20 5 FFBDLO Cn1cc(Br)c(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000292861996 511749679 /nfs/dbraw/zinc/74/96/79/511749679.db2.gz GUWAFONVQMGYJS-UHFFFAOYSA-N 1 2 353.220 2.765 20 5 FFBDLO Cn1cc(Br)c(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000292861996 511749687 /nfs/dbraw/zinc/74/96/87/511749687.db2.gz GUWAFONVQMGYJS-UHFFFAOYSA-N 1 2 353.220 2.765 20 5 FFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000373915786 512569367 /nfs/dbraw/zinc/56/93/67/512569367.db2.gz LOMIHPIZQHNGTJ-KSSFIOAISA-N 1 2 370.409 2.608 20 5 FFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000373915786 512569371 /nfs/dbraw/zinc/56/93/71/512569371.db2.gz LOMIHPIZQHNGTJ-KSSFIOAISA-N 1 2 370.409 2.608 20 5 FFBDLO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378320956 512694161 /nfs/dbraw/zinc/69/41/61/512694161.db2.gz VXVHINCXACVPSQ-UHFFFAOYSA-N 1 2 366.381 2.523 20 5 FFBDLO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378320956 512694167 /nfs/dbraw/zinc/69/41/67/512694167.db2.gz VXVHINCXACVPSQ-UHFFFAOYSA-N 1 2 366.381 2.523 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000372304439 512805014 /nfs/dbraw/zinc/80/50/14/512805014.db2.gz DYZSYWQBOQYTAU-MRXNPFEDSA-N 1 2 371.441 2.850 20 5 FFBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])CCC2 ZINC000374435089 512832454 /nfs/dbraw/zinc/83/24/54/512832454.db2.gz DHHVLAZQHCBEMJ-CQSZACIVSA-N 1 2 357.414 2.596 20 5 FFBDLO COc1cc(C[N@@H+]2CCCC[C@H]2CN2CCCC2=O)c([N+](=O)[O-])cc1F ZINC000372520195 512914689 /nfs/dbraw/zinc/91/46/89/512914689.db2.gz DUCCTNQOXBKMIH-AWEZNQCLSA-N 1 2 365.405 2.719 20 5 FFBDLO COc1cc(C[N@H+]2CCCC[C@H]2CN2CCCC2=O)c([N+](=O)[O-])cc1F ZINC000372520195 512914694 /nfs/dbraw/zinc/91/46/94/512914694.db2.gz DUCCTNQOXBKMIH-AWEZNQCLSA-N 1 2 365.405 2.719 20 5 FFBDLO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000428994893 513245044 /nfs/dbraw/zinc/24/50/44/513245044.db2.gz GNEQMVLRSJEOLX-NSHDSACASA-N 1 2 367.812 2.832 20 5 FFBDLO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000428994893 513245047 /nfs/dbraw/zinc/24/50/47/513245047.db2.gz GNEQMVLRSJEOLX-NSHDSACASA-N 1 2 367.812 2.832 20 5 FFBDLO Cc1cc(N2CC[C@](O)(C(F)F)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450709359 513310686 /nfs/dbraw/zinc/31/06/86/513310686.db2.gz SHQITEUHANUHID-MRXNPFEDSA-N 1 2 350.325 2.567 20 5 FFBDLO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3ccncc3)CC2)c(C(F)(F)F)c1 ZINC000413024661 513392221 /nfs/dbraw/zinc/39/22/21/513392221.db2.gz FAXJSKYAWARVRA-UHFFFAOYSA-N 1 2 367.331 2.726 20 5 FFBDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000421747324 513401583 /nfs/dbraw/zinc/40/15/83/513401583.db2.gz BTCQOEBIJIRILQ-UHFFFAOYSA-N 1 2 372.425 2.774 20 5 FFBDLO C[C@H]1CN(c2ccc(CNc3ncc([N+](=O)[O-])cc3F)c[nH+]2)C[C@H](C)O1 ZINC000413058791 513413530 /nfs/dbraw/zinc/41/35/30/513413530.db2.gz IOXRCHGKPXWUKX-RYUDHWBXSA-N 1 2 361.377 2.750 20 5 FFBDLO Cc1c(CNc2cc(N3CC[C@@H]([C@H](C)O)C3)nc[nH+]2)cccc1[N+](=O)[O-] ZINC000413264868 513556794 /nfs/dbraw/zinc/55/67/94/513556794.db2.gz NXDSXHHACKHOQN-DZGCQCFKSA-N 1 2 357.414 2.512 20 5 FFBDLO Cc1c(CNc2cc(N3CC[C@@H]([C@H](C)O)C3)[nH+]cn2)cccc1[N+](=O)[O-] ZINC000413264868 513556801 /nfs/dbraw/zinc/55/68/01/513556801.db2.gz NXDSXHHACKHOQN-DZGCQCFKSA-N 1 2 357.414 2.512 20 5 FFBDLO CNC(=O)CC1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425428586 513559708 /nfs/dbraw/zinc/55/97/08/513559708.db2.gz XCUXUZTVQSOLJB-UHFFFAOYSA-N 1 2 370.247 2.705 20 5 FFBDLO CCc1cc(N)nc(SCCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[nH+]1 ZINC000447779873 513566942 /nfs/dbraw/zinc/56/69/42/513566942.db2.gz OCXZHHUMMZNELP-UHFFFAOYSA-N 1 2 361.427 2.789 20 5 FFBDLO C[C@@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCS1 ZINC000447804567 513575081 /nfs/dbraw/zinc/57/50/81/513575081.db2.gz GAEXMKQBEBXJCG-CQSZACIVSA-N 1 2 351.472 2.759 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000430211074 513587854 /nfs/dbraw/zinc/58/78/54/513587854.db2.gz WRSSNXRYVOCKOS-UHFFFAOYSA-N 1 2 362.817 2.974 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451284969 513651862 /nfs/dbraw/zinc/65/18/62/513651862.db2.gz QFUJUJVVTANRRG-IEBWSBKVSA-N 1 2 360.385 2.903 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451284969 513651868 /nfs/dbraw/zinc/65/18/68/513651868.db2.gz QFUJUJVVTANRRG-IEBWSBKVSA-N 1 2 360.385 2.903 20 5 FFBDLO CC(C)C[C@@]1(CO)CCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451323583 513676813 /nfs/dbraw/zinc/67/68/13/513676813.db2.gz VKCILMVXQWSEJL-LJQANCHMSA-N 1 2 372.425 2.794 20 5 FFBDLO Cn1c2cc(F)ccc2[nH+]c1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000431015396 513804248 /nfs/dbraw/zinc/80/42/48/513804248.db2.gz UENWDIMQZAJIGU-UHFFFAOYSA-N 1 2 355.373 2.947 20 5 FFBDLO CC(C)CN1C[C@@H]2C[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000425960948 513808065 /nfs/dbraw/zinc/80/80/65/513808065.db2.gz ZKLCVYHEESAYBS-WVRJYTFGSA-N 1 2 358.442 2.686 20 5 FFBDLO CC(C)CN1C[C@@H]2C[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000425960948 513808071 /nfs/dbraw/zinc/80/80/71/513808071.db2.gz ZKLCVYHEESAYBS-WVRJYTFGSA-N 1 2 358.442 2.686 20 5 FFBDLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544064 513822849 /nfs/dbraw/zinc/82/28/49/513822849.db2.gz DIEKZUHCKBFVSZ-OAHLLOKOSA-N 1 2 357.414 2.753 20 5 FFBDLO Cc1n[nH]c(C)c1NC(=O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544064 513822850 /nfs/dbraw/zinc/82/28/50/513822850.db2.gz DIEKZUHCKBFVSZ-OAHLLOKOSA-N 1 2 357.414 2.753 20 5 FFBDLO C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546029 513824451 /nfs/dbraw/zinc/82/44/51/513824451.db2.gz IPJWCTNIMQPNFI-WCQYABFASA-N 1 2 359.348 2.841 20 5 FFBDLO C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546029 513824455 /nfs/dbraw/zinc/82/44/55/513824455.db2.gz IPJWCTNIMQPNFI-WCQYABFASA-N 1 2 359.348 2.841 20 5 FFBDLO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1O ZINC000436874172 514016040 /nfs/dbraw/zinc/01/60/40/514016040.db2.gz ZSLKGOZDIRKQMP-KRWDZBQOSA-N 1 2 355.394 2.867 20 5 FFBDLO C[NH+](C)CCCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436992203 514066351 /nfs/dbraw/zinc/06/63/51/514066351.db2.gz XZTUTKIJOLBACK-UHFFFAOYSA-N 1 2 373.409 2.561 20 5 FFBDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000451936120 514082990 /nfs/dbraw/zinc/08/29/90/514082990.db2.gz SUFXISGJCKQESW-VIFPVBQESA-N 1 2 358.807 2.504 20 5 FFBDLO NC(=O)c1cccc([N+](=O)[O-])c1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000420592580 514194868 /nfs/dbraw/zinc/19/48/68/514194868.db2.gz WRLXVQSSRPQBMV-UHFFFAOYSA-N 1 2 374.828 2.669 20 5 FFBDLO CC[C@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@H](CC)O1 ZINC000420639255 514210978 /nfs/dbraw/zinc/21/09/78/514210978.db2.gz XUXQINGFISZLDE-IRXDYDNUSA-N 1 2 363.458 2.821 20 5 FFBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000449554737 514253048 /nfs/dbraw/zinc/25/30/48/514253048.db2.gz PQSIKKDHVFACKC-SVEBXFOSSA-N 1 2 350.440 2.509 20 5 FFBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000449554737 514253053 /nfs/dbraw/zinc/25/30/53/514253053.db2.gz PQSIKKDHVFACKC-SVEBXFOSSA-N 1 2 350.440 2.509 20 5 FFBDLO C[S@@](=O)C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000444677789 514291605 /nfs/dbraw/zinc/29/16/05/514291605.db2.gz VDWZFBXFYVIIDW-IVCQMTBJSA-N 1 2 358.423 2.681 20 5 FFBDLO Cc1cc(CNC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cc(C)[nH+]1 ZINC000420851313 514334802 /nfs/dbraw/zinc/33/48/02/514334802.db2.gz QSNLDVNJTTVPMV-UHFFFAOYSA-N 1 2 356.382 2.711 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(NCc3ccc(N4CCCCC4)[nH+]c3)nc2c1 ZINC000427997235 514369754 /nfs/dbraw/zinc/36/97/54/514369754.db2.gz RBZRXLGTDXXKIE-UHFFFAOYSA-N 1 2 352.398 2.890 20 5 FFBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000428006402 514372795 /nfs/dbraw/zinc/37/27/95/514372795.db2.gz ONPVIOABAHHAGN-GFCCVEGCSA-N 1 2 369.406 2.660 20 5 FFBDLO CC(C)(C)Cc1cc(=NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[nH][nH]1 ZINC000449943748 514434217 /nfs/dbraw/zinc/43/42/17/514434217.db2.gz CFVZVIFPULYOFA-UHFFFAOYSA-N 1 2 368.397 2.766 20 5 FFBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000428351931 514453519 /nfs/dbraw/zinc/45/35/19/514453519.db2.gz PMJFDEFHCIVFEI-SNVBAGLBSA-N 1 2 354.288 2.555 20 5 FFBDLO CCCCCOC1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450026184 514471203 /nfs/dbraw/zinc/47/12/03/514471203.db2.gz LNHJBTROFHXTBE-UHFFFAOYSA-N 1 2 358.398 2.812 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1-c1noc(/C=C\c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000445581161 514495694 /nfs/dbraw/zinc/49/56/94/514495694.db2.gz YVXGYQICZZZZHV-DAXSKMNVSA-N 1 2 363.337 2.734 20 5 FFBDLO O=C(NCCC[C@@H]1CCCC[C@@H]1O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450174350 514522249 /nfs/dbraw/zinc/52/22/49/514522249.db2.gz SSFNXPKOXYHEIB-KSSFIOAISA-N 1 2 372.425 2.842 20 5 FFBDLO CCOCCC1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000450197663 514536558 /nfs/dbraw/zinc/53/65/58/514536558.db2.gz FXHDCPJVTPSUHF-UHFFFAOYSA-N 1 2 358.398 2.717 20 5 FFBDLO CC(C)[C@@H](CO)[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)C ZINC000452914954 514551354 /nfs/dbraw/zinc/55/13/54/514551354.db2.gz IQTNOLWJEGVADL-QAPCUYQASA-N 1 2 374.441 2.799 20 5 FFBDLO NC(=O)[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000475427263 514656966 /nfs/dbraw/zinc/65/69/66/514656966.db2.gz GCIMIVZYISWLHB-LBPRGKRZSA-N 1 2 370.228 2.735 20 5 FFBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2ccccc2OC(F)F)CC1 ZINC000453579775 514699548 /nfs/dbraw/zinc/69/95/48/514699548.db2.gz SGWFEENXCJPMKT-UHFFFAOYSA-N 1 2 364.352 2.913 20 5 FFBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000466592309 514702157 /nfs/dbraw/zinc/70/21/57/514702157.db2.gz ZHANDKSOPJDUJC-UHFFFAOYSA-N 1 2 370.409 2.659 20 5 FFBDLO COC(=O)c1ccc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000453584155 514702939 /nfs/dbraw/zinc/70/29/39/514702939.db2.gz KVEZAZYRHLJGBR-UHFFFAOYSA-N 1 2 361.423 2.765 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCN(CC)[C@@H](c2ncc[nH]2)C1 ZINC000471068925 514739599 /nfs/dbraw/zinc/73/95/99/514739599.db2.gz KWXKLUYTVXDDJQ-MRXNPFEDSA-N 1 2 359.430 2.595 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCN(CC)[C@@H](c2ncc[nH]2)C1 ZINC000471068925 514739604 /nfs/dbraw/zinc/73/96/04/514739604.db2.gz KWXKLUYTVXDDJQ-MRXNPFEDSA-N 1 2 359.430 2.595 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(Oc2ccccn2)CC1 ZINC000471156402 514774009 /nfs/dbraw/zinc/77/40/09/514774009.db2.gz JYEKTOPAXXRIFC-UHFFFAOYSA-N 1 2 370.409 2.780 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000467228568 514947381 /nfs/dbraw/zinc/94/73/81/514947381.db2.gz YZERCFDNSZAGIF-GFCCVEGCSA-N 1 2 363.805 2.681 20 5 FFBDLO O=[N+]([O-])c1cccc2ncnc(NCc3cc[nH+]c(N4CCCCC4)c3)c21 ZINC000509064127 515006601 /nfs/dbraw/zinc/00/66/01/515006601.db2.gz BKNYQZWKEKNOSY-UHFFFAOYSA-N 1 2 364.409 2.957 20 5 FFBDLO CC(C)(C(=O)N1CC[NH+](Cc2ccccn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000509106662 515026732 /nfs/dbraw/zinc/02/67/32/515026732.db2.gz HRDIPMAZIAOPAE-UHFFFAOYSA-N 1 2 368.437 2.612 20 5 FFBDLO CC1(C)COCC[N@@H+]1CCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000476541825 515093565 /nfs/dbraw/zinc/09/35/65/515093565.db2.gz CDVPBISTXJMACO-UHFFFAOYSA-N 1 2 358.236 2.880 20 5 FFBDLO CC1(C)COCC[N@H+]1CCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000476541825 515093574 /nfs/dbraw/zinc/09/35/74/515093574.db2.gz CDVPBISTXJMACO-UHFFFAOYSA-N 1 2 358.236 2.880 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@H](c4nc(C5CC5)no4)C3)nc2c1 ZINC000498937930 515131572 /nfs/dbraw/zinc/13/15/72/515131572.db2.gz BJJLICBQGGUQHF-NSHDSACASA-N 1 2 354.370 2.721 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@H](c4nc(C5CC5)no4)C3)nc2c1 ZINC000498937930 515131580 /nfs/dbraw/zinc/13/15/80/515131580.db2.gz BJJLICBQGGUQHF-NSHDSACASA-N 1 2 354.370 2.721 20 5 FFBDLO C[C@@H]1C[C@@H](NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c2[nH+]ccn21 ZINC000456364600 515131717 /nfs/dbraw/zinc/13/17/17/515131717.db2.gz FYGBTSFOKIJNEH-IAQYHMDHSA-N 1 2 366.381 2.628 20 5 FFBDLO C[C@H]1C[C@H](NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)c2[nH+]ccn21 ZINC000456400139 515159992 /nfs/dbraw/zinc/15/99/92/515159992.db2.gz DGDAGWBMMRLBFN-AAEUAGOBSA-N 1 2 367.365 2.541 20 5 FFBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H](CO)CC(C)(C)C ZINC000456419322 515172031 /nfs/dbraw/zinc/17/20/31/515172031.db2.gz LPEDLLAXGGIFAL-AWEZNQCLSA-N 1 2 360.414 2.650 20 5 FFBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NCC(=O)c1cccs1 ZINC000490789593 515304102 /nfs/dbraw/zinc/30/41/02/515304102.db2.gz FHDIEBIHVOYCKD-UHFFFAOYSA-N 1 2 373.434 2.620 20 5 FFBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NCC(=O)c1cccs1 ZINC000490789593 515304110 /nfs/dbraw/zinc/30/41/10/515304110.db2.gz FHDIEBIHVOYCKD-UHFFFAOYSA-N 1 2 373.434 2.620 20 5 FFBDLO COC(=O)[C@@H](Cc1ccc(C)cc1)[NH2+]CCNc1ccc([N+](=O)[O-])cc1 ZINC000481560563 515378739 /nfs/dbraw/zinc/37/87/39/515378739.db2.gz IEQSESDJGIIGHE-GOSISDBHSA-N 1 2 357.410 2.689 20 5 FFBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454341074 515415909 /nfs/dbraw/zinc/41/59/09/515415909.db2.gz OFJBHNGEXGGWJE-HOCLYGCPSA-N 1 2 357.414 2.769 20 5 FFBDLO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000481724746 515440111 /nfs/dbraw/zinc/44/01/11/515440111.db2.gz NRNXKBMHWNUPED-ZIAGYGMSSA-N 1 2 356.806 2.791 20 5 FFBDLO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000481724746 515440123 /nfs/dbraw/zinc/44/01/23/515440123.db2.gz NRNXKBMHWNUPED-ZIAGYGMSSA-N 1 2 356.806 2.791 20 5 FFBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCc3ccc(F)c(F)c3C2)c1 ZINC000486429055 515479634 /nfs/dbraw/zinc/47/96/34/515479634.db2.gz DQFRLQVSOQQXFK-CQSZACIVSA-N 1 2 364.348 2.671 20 5 FFBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCc3ccc(F)c(F)c3C2)c1 ZINC000486429055 515479641 /nfs/dbraw/zinc/47/96/41/515479641.db2.gz DQFRLQVSOQQXFK-CQSZACIVSA-N 1 2 364.348 2.671 20 5 FFBDLO CCc1ccc([C@H]([NH2+]CC(=O)NCC(F)F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000482065875 515563621 /nfs/dbraw/zinc/56/36/21/515563621.db2.gz DWCPOBWNMMFNAJ-QGZVFWFLSA-N 1 2 367.352 2.811 20 5 FFBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000473348124 515584208 /nfs/dbraw/zinc/58/42/08/515584208.db2.gz IUDRSSRXXBLOCE-GOSISDBHSA-N 1 2 373.384 2.870 20 5 FFBDLO O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000482737233 515786818 /nfs/dbraw/zinc/78/68/18/515786818.db2.gz SDNDPTOBANXBKA-UHFFFAOYSA-N 1 2 366.333 2.583 20 5 FFBDLO COc1cc(C(=O)N2CCN(c3c[nH+]ccc3C)CC2)cc([N+](=O)[O-])c1C ZINC000500669606 515809814 /nfs/dbraw/zinc/80/98/14/515809814.db2.gz XZCYILATEMRHNL-UHFFFAOYSA-N 1 2 370.409 2.578 20 5 FFBDLO COC(=O)COc1ccc(C[NH2+]C(C)(C)c2nccs2)cc1[N+](=O)[O-] ZINC000474356010 516008456 /nfs/dbraw/zinc/00/84/56/516008456.db2.gz URYYZXHKBNDNNW-UHFFFAOYSA-N 1 2 365.411 2.628 20 5 FFBDLO COCC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])Cc1ccc(C)o1 ZINC000469992546 516066693 /nfs/dbraw/zinc/06/66/93/516066693.db2.gz QOTRSSGHINCYTB-UHFFFAOYSA-N 1 2 361.398 2.892 20 5 FFBDLO COCC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])Cc1ccc(C)o1 ZINC000469992546 516066700 /nfs/dbraw/zinc/06/67/00/516066700.db2.gz QOTRSSGHINCYTB-UHFFFAOYSA-N 1 2 361.398 2.892 20 5 FFBDLO Cc1ccc(OC[C@@H](O)C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c(C)c1 ZINC000470033823 516087952 /nfs/dbraw/zinc/08/79/52/516087952.db2.gz AOZSSMZUZQFLSZ-KRWDZBQOSA-N 1 2 372.421 2.715 20 5 FFBDLO CCn1nc(C)c([N+](=O)[O-])c1Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000479367375 516167279 /nfs/dbraw/zinc/16/72/79/516167279.db2.gz OICAITDYEZHVNB-TXEJJXNPSA-N 1 2 360.418 2.872 20 5 FFBDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000483827399 516222693 /nfs/dbraw/zinc/22/26/93/516222693.db2.gz ZXGDGRRFLXRYET-UHFFFAOYSA-N 1 2 361.308 2.873 20 5 FFBDLO Cc1ccc2c(c1)CC[N@@H+](CC(=O)Nc1cc3c(cc1[N+](=O)[O-])OCO3)C2 ZINC000483971600 516266586 /nfs/dbraw/zinc/26/65/86/516266586.db2.gz AROOIJHJKLIQTK-UHFFFAOYSA-N 1 2 369.377 2.629 20 5 FFBDLO Cc1ccc2c(c1)CC[N@H+](CC(=O)Nc1cc3c(cc1[N+](=O)[O-])OCO3)C2 ZINC000483971600 516266592 /nfs/dbraw/zinc/26/65/92/516266592.db2.gz AROOIJHJKLIQTK-UHFFFAOYSA-N 1 2 369.377 2.629 20 5 FFBDLO Cc1ccc(S(=O)(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)cc1[N+](=O)[O-] ZINC000543998564 516532847 /nfs/dbraw/zinc/53/28/47/516532847.db2.gz NIADHKJSIPIXTI-UHFFFAOYSA-N 1 2 372.406 2.772 20 5 FFBDLO CN(Cc1nc(Cc2cn3ccccc3[nH+]2)no1)c1ccccc1[N+](=O)[O-] ZINC000544081794 516572084 /nfs/dbraw/zinc/57/20/84/516572084.db2.gz KFOALURIDSNSGW-UHFFFAOYSA-N 1 2 364.365 2.853 20 5 FFBDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@@H+]2Cc2ccc(Cl)cc2[N+](=O)[O-])O1 ZINC000554848171 516663677 /nfs/dbraw/zinc/66/36/77/516663677.db2.gz IVYFSFLNZSEUCR-KCXZSRPNSA-N 1 2 368.817 2.932 20 5 FFBDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@H+]2Cc2ccc(Cl)cc2[N+](=O)[O-])O1 ZINC000554848171 516663685 /nfs/dbraw/zinc/66/36/85/516663685.db2.gz IVYFSFLNZSEUCR-KCXZSRPNSA-N 1 2 368.817 2.932 20 5 FFBDLO C[N@H+](CCN1CCN(c2ccccc2)CC1)Cc1ccccc1[N+](=O)[O-] ZINC000524252726 516679738 /nfs/dbraw/zinc/67/97/38/516679738.db2.gz XXNHTBABQHWQGD-UHFFFAOYSA-N 1 2 354.454 2.849 20 5 FFBDLO C[N@@H+](CCN1CCN(c2ccccc2)CC1)Cc1ccccc1[N+](=O)[O-] ZINC000524252726 516679748 /nfs/dbraw/zinc/67/97/48/516679748.db2.gz XXNHTBABQHWQGD-UHFFFAOYSA-N 1 2 354.454 2.849 20 5 FFBDLO C[C@H]1CCCN(c2ccc(C(=O)N3CC(n4cc[nH+]c4)C3)cc2[N+](=O)[O-])C1 ZINC000524398543 516709775 /nfs/dbraw/zinc/70/97/75/516709775.db2.gz YRANXWWXIKWGPL-AWEZNQCLSA-N 1 2 369.425 2.725 20 5 FFBDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000536509974 516796499 /nfs/dbraw/zinc/79/64/99/516796499.db2.gz SDJPVFHOEQAXAO-UHFFFAOYSA-N 1 2 365.393 2.870 20 5 FFBDLO O=C1[C@@H]([NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCN1c1ccccc1 ZINC000518863557 516801454 /nfs/dbraw/zinc/80/14/54/516801454.db2.gz OOVUPXCYSYJDIP-IBGZPJMESA-N 1 2 366.421 2.522 20 5 FFBDLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)s1 ZINC000532144702 516822450 /nfs/dbraw/zinc/82/24/50/516822450.db2.gz LZWVNFMZGHQJFQ-UHFFFAOYSA-N 1 2 360.439 2.572 20 5 FFBDLO CC(C)Cc1ncc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)s1 ZINC000536638034 516866344 /nfs/dbraw/zinc/86/63/44/516866344.db2.gz PQDJEHDKYXAIBR-UHFFFAOYSA-N 1 2 361.471 2.967 20 5 FFBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000544741182 516903187 /nfs/dbraw/zinc/90/31/87/516903187.db2.gz WKERFTFIFZZOTI-UHFFFAOYSA-N 1 2 358.745 2.663 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)c1 ZINC000525133571 516927189 /nfs/dbraw/zinc/92/71/89/516927189.db2.gz MQPOVYRAFQZQDS-SFHVURJKSA-N 1 2 369.421 2.707 20 5 FFBDLO Cc1[nH+]c2ccccc2n1CCC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000548448505 516991630 /nfs/dbraw/zinc/99/16/30/516991630.db2.gz AFROBIKGNFLSGN-UHFFFAOYSA-N 1 2 368.393 2.838 20 5 FFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000562609844 517234428 /nfs/dbraw/zinc/23/44/28/517234428.db2.gz SEYXUVCPPGMMHW-GFCCVEGCSA-N 1 2 370.413 2.895 20 5 FFBDLO Cn1c2ccccc2nc1[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000533388092 517438532 /nfs/dbraw/zinc/43/85/32/517438532.db2.gz YADPCJVNAIQSER-KRWDZBQOSA-N 1 2 354.414 2.905 20 5 FFBDLO Cn1c2ccccc2nc1[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000533388092 517438540 /nfs/dbraw/zinc/43/85/40/517438540.db2.gz YADPCJVNAIQSER-KRWDZBQOSA-N 1 2 354.414 2.905 20 5 FFBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000538271444 517534121 /nfs/dbraw/zinc/53/41/21/517534121.db2.gz ONNFJJCLSOWBOT-CYBMUJFWSA-N 1 2 367.471 2.546 20 5 FFBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000538271444 517534131 /nfs/dbraw/zinc/53/41/31/517534131.db2.gz ONNFJJCLSOWBOT-CYBMUJFWSA-N 1 2 367.471 2.546 20 5 FFBDLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1cccc(O)c1[N+](=O)[O-] ZINC000538312240 517558869 /nfs/dbraw/zinc/55/88/69/517558869.db2.gz ZPDMMQFBLCSYIF-UHFFFAOYSA-N 1 2 368.349 2.828 20 5 FFBDLO Cc1nc(NCc2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc[nH+]1 ZINC000542631452 517661320 /nfs/dbraw/zinc/66/13/20/517661320.db2.gz FSTWBJASRZBIFH-UHFFFAOYSA-N 1 2 363.377 2.980 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccn(-c3cc[nH+]cc3)n2)c1 ZINC000542713391 517699282 /nfs/dbraw/zinc/69/92/82/517699282.db2.gz BPCWCAZTISTPPF-UHFFFAOYSA-N 1 2 373.394 2.593 20 5 FFBDLO Cc1cn2cc(NS(=O)(=O)c3cc(C)cc([N+](=O)[O-])c3C)ccc2[nH+]1 ZINC000542714014 517701893 /nfs/dbraw/zinc/70/18/93/517701893.db2.gz NUBMTZDYUCZWFT-UHFFFAOYSA-N 1 2 360.395 2.969 20 5 FFBDLO O=C(NCc1[nH+]ccn1CC(F)(F)F)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534221060 517792601 /nfs/dbraw/zinc/79/26/01/517792601.db2.gz RKGMXDQUHROSNS-UHFFFAOYSA-N 1 2 367.287 2.765 20 5 FFBDLO CC(C)[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ncc[nH]1 ZINC000530486989 517806027 /nfs/dbraw/zinc/80/60/27/517806027.db2.gz KESWIJCHSJRZRI-HNNXBMFYSA-N 1 2 354.370 2.631 20 5 FFBDLO C[C@H]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@@H]1n1cc[nH+]c1 ZINC000534258180 517809728 /nfs/dbraw/zinc/80/97/28/517809728.db2.gz VZOSHTFPSJJYDC-LRDDRELGSA-N 1 2 353.382 2.996 20 5 FFBDLO Cc1cc(Cl)ccc1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000560721460 517987324 /nfs/dbraw/zinc/98/73/24/517987324.db2.gz NIYFVBVDNKJQIV-UHFFFAOYSA-N 1 2 374.828 2.910 20 5 FFBDLO COc1ccc(-c2ccc(C[NH2+][C@@H](C)c3nncn3C)o2)c([N+](=O)[O-])c1 ZINC000539506104 518081101 /nfs/dbraw/zinc/08/11/01/518081101.db2.gz UENLOCHCIJIPHS-NSHDSACASA-N 1 2 357.370 2.843 20 5 FFBDLO Cc1c(Br)c(NCCCNc2cccc[nH+]2)ncc1[N+](=O)[O-] ZINC000543449628 518099149 /nfs/dbraw/zinc/09/91/49/518099149.db2.gz OUEGOZHDLMPTOI-UHFFFAOYSA-N 1 2 366.219 2.792 20 5 FFBDLO COC(=O)[C@@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])C1CCCCC1 ZINC000543546295 518132438 /nfs/dbraw/zinc/13/24/38/518132438.db2.gz NLPFLXKNFOJBBP-KRWDZBQOSA-N 1 2 366.414 2.694 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cnc4ccc(Cl)cn34)C2)nc1 ZINC000539838712 518170464 /nfs/dbraw/zinc/17/04/64/518170464.db2.gz WIEVGBUKDOXJBV-ZDUSSCGKSA-N 1 2 372.816 2.977 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cnc4ccc(Cl)cn34)C2)nc1 ZINC000539838712 518170465 /nfs/dbraw/zinc/17/04/65/518170465.db2.gz WIEVGBUKDOXJBV-ZDUSSCGKSA-N 1 2 372.816 2.977 20 5 FFBDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535310559 518174287 /nfs/dbraw/zinc/17/42/87/518174287.db2.gz QRJSGBVVXMENKQ-UHFFFAOYSA-N 1 2 350.378 2.838 20 5 FFBDLO CCc1cc(N)nc(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)[nH+]1 ZINC000567013326 518309535 /nfs/dbraw/zinc/30/95/35/518309535.db2.gz SUBGIZZFGRSOKW-UHFFFAOYSA-N 1 2 358.383 2.702 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000564132036 518317864 /nfs/dbraw/zinc/31/78/64/518317864.db2.gz ZMKUHRGIMXWUFE-UZLBHIALSA-N 1 2 368.437 2.877 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000564132036 518317870 /nfs/dbraw/zinc/31/78/70/518317870.db2.gz ZMKUHRGIMXWUFE-UZLBHIALSA-N 1 2 368.437 2.877 20 5 FFBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc([C@H]2C[N@H+](C)CCN2C)no1 ZINC000564247425 518368053 /nfs/dbraw/zinc/36/80/53/518368053.db2.gz WYZICCVRFWTHOB-GOEBONIOSA-N 1 2 359.430 2.632 20 5 FFBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc([C@H]2C[N@@H+](C)CCN2C)no1 ZINC000564247425 518368057 /nfs/dbraw/zinc/36/80/57/518368057.db2.gz WYZICCVRFWTHOB-GOEBONIOSA-N 1 2 359.430 2.632 20 5 FFBDLO C[C@](O)(C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)C(F)(F)F ZINC000572944149 518431824 /nfs/dbraw/zinc/43/18/24/518431824.db2.gz IMFGSLYCCPQJFT-HNNXBMFYSA-N 1 2 372.347 2.996 20 5 FFBDLO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000582729984 518894380 /nfs/dbraw/zinc/89/43/80/518894380.db2.gz HZLOZRQGOXEAKV-HLLBOEOZSA-N 1 2 372.425 2.739 20 5 FFBDLO COC(=O)C[C@H]1COCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000589205878 518951660 /nfs/dbraw/zinc/95/16/60/518951660.db2.gz UCCCZESSKCRJAW-HNNXBMFYSA-N 1 2 360.366 2.619 20 5 FFBDLO COC(=O)C[C@H]1COCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000589205878 518951664 /nfs/dbraw/zinc/95/16/64/518951664.db2.gz UCCCZESSKCRJAW-HNNXBMFYSA-N 1 2 360.366 2.619 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1-c1noc([C@H](c2cccc(Cl)c2)[NH+](C)C)n1 ZINC000565682541 519078996 /nfs/dbraw/zinc/07/89/96/519078996.db2.gz HMYPJFRXDYDIRF-NSHDSACASA-N 1 2 362.777 2.683 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCC2CC[NH+](CC(F)F)CC2)c1 ZINC000590567898 519268551 /nfs/dbraw/zinc/26/85/51/519268551.db2.gz WAWLYTCXVYYHKD-UHFFFAOYSA-N 1 2 357.357 2.770 20 5 FFBDLO Cc1cccn2cc(CC(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)[nH+]c12 ZINC000577926397 519323080 /nfs/dbraw/zinc/32/30/80/519323080.db2.gz KWYWKDFCVZQNJW-UHFFFAOYSA-N 1 2 366.377 2.515 20 5 FFBDLO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000597297687 519942245 /nfs/dbraw/zinc/94/22/45/519942245.db2.gz VHQJMZHGXOYNSD-PXAZEXFGSA-N 1 2 358.423 2.697 20 5 FFBDLO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000597297687 519942252 /nfs/dbraw/zinc/94/22/52/519942252.db2.gz VHQJMZHGXOYNSD-PXAZEXFGSA-N 1 2 358.423 2.697 20 5 FFBDLO C[C@](CO)([NH2+]Cc1cc(F)cc2c1OCOC2)c1cccc([N+](=O)[O-])c1 ZINC000602965804 519996708 /nfs/dbraw/zinc/99/67/08/519996708.db2.gz OQYYCEKGEZPGQK-GOSISDBHSA-N 1 2 362.357 2.598 20 5 FFBDLO O=C(C[NH2+][C@@H](CF)c1ccc(F)cc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000603018687 520025684 /nfs/dbraw/zinc/02/56/84/520025684.db2.gz KXVJFFVMUGANIW-INIZCTEOSA-N 1 2 361.348 2.923 20 5 FFBDLO C[C@@H](CNc1ncc(Br)cc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594591208 520043515 /nfs/dbraw/zinc/04/35/15/520043515.db2.gz HXXWWMYAZRVVCD-GARJFASQSA-N 1 2 373.251 2.662 20 5 FFBDLO C[C@@H](CNc1ncc(Br)cc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594591208 520043520 /nfs/dbraw/zinc/04/35/20/520043520.db2.gz HXXWWMYAZRVVCD-GARJFASQSA-N 1 2 373.251 2.662 20 5 FFBDLO COc1ccc(C[NH2+][C@@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000609042060 520182277 /nfs/dbraw/zinc/18/22/77/520182277.db2.gz SBTKZDTTXWQPBQ-GOSISDBHSA-N 1 2 373.384 2.852 20 5 FFBDLO Cc1cc(NCCOc2ccc([N+](=O)[O-])cc2)nc(-c2cccnc2)[nH+]1 ZINC000609463808 520321858 /nfs/dbraw/zinc/32/18/58/520321858.db2.gz BEKNDHWAFVRMHE-UHFFFAOYSA-N 1 2 351.366 2.668 20 5 FFBDLO CCN(CC)c1ccc(CNC(=O)COc2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000603903630 520398221 /nfs/dbraw/zinc/39/82/21/520398221.db2.gz IROHMLQKLZOFEQ-UHFFFAOYSA-N 1 2 358.398 2.531 20 5 FFBDLO CCOCCCNc1ccc(-c2cc(C(=O)OC)cc([N+](=O)[O-])c2)c[nH+]1 ZINC000600787566 520470078 /nfs/dbraw/zinc/47/00/78/520470078.db2.gz AUIPDNVTDBGMEC-UHFFFAOYSA-N 1 2 359.382 2.704 20 5 FFBDLO CCOc1cc(N2CC[NH+](Cc3cc(C)nc(C)n3)CC2)ccc1[N+](=O)[O-] ZINC000595463662 520487732 /nfs/dbraw/zinc/48/77/32/520487732.db2.gz BWMCXMIDNTZEEV-UHFFFAOYSA-N 1 2 371.441 2.723 20 5 FFBDLO COC(=O)C[C@@](C)([NH2+]Cc1onc(C)c1[N+](=O)[O-])c1cccc(F)c1 ZINC000595484162 520499648 /nfs/dbraw/zinc/49/96/48/520499648.db2.gz OCWXRFGHCNKJGP-MRXNPFEDSA-N 1 2 351.334 2.598 20 5 FFBDLO CN(Cc1c[nH+]c[nH]1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000595589639 520574982 /nfs/dbraw/zinc/57/49/82/520574982.db2.gz CNMPYELEPFIEOC-UHFFFAOYSA-N 1 2 357.292 2.678 20 5 FFBDLO CN(Cc1c[nH]c[nH+]1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000595589639 520574988 /nfs/dbraw/zinc/57/49/88/520574988.db2.gz CNMPYELEPFIEOC-UHFFFAOYSA-N 1 2 357.292 2.678 20 5 FFBDLO CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2cscn2)c([N+](=O)[O-])c1 ZINC000595669160 520635249 /nfs/dbraw/zinc/63/52/49/520635249.db2.gz SDYSJUUWAWCKHK-SNVBAGLBSA-N 1 2 350.400 2.739 20 5 FFBDLO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2cscn2)c([N+](=O)[O-])c1 ZINC000595669159 520635429 /nfs/dbraw/zinc/63/54/29/520635429.db2.gz SDYSJUUWAWCKHK-JTQLQIEISA-N 1 2 350.400 2.739 20 5 FFBDLO CN(C)c1cccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c1 ZINC000610368069 520653116 /nfs/dbraw/zinc/65/31/16/520653116.db2.gz SZPYBRGCSMDDIG-UHFFFAOYSA-N 1 2 374.466 2.680 20 5 FFBDLO C[C@@](CO)([NH2+]Cc1ncc(Br)s1)c1cccc([N+](=O)[O-])c1 ZINC000601150529 520662553 /nfs/dbraw/zinc/66/25/53/520662553.db2.gz YWQDLKZCGKPAQJ-ZDUSSCGKSA-N 1 2 372.244 2.811 20 5 FFBDLO C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](C(F)(F)F)O1 ZINC000610413317 520673243 /nfs/dbraw/zinc/67/32/43/520673243.db2.gz NGUJEJKZFFSUED-GWCFXTLKSA-N 1 2 361.320 2.575 20 5 FFBDLO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](C(F)(F)F)O1 ZINC000610413317 520673250 /nfs/dbraw/zinc/67/32/50/520673250.db2.gz NGUJEJKZFFSUED-GWCFXTLKSA-N 1 2 361.320 2.575 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595746208 520694070 /nfs/dbraw/zinc/69/40/70/520694070.db2.gz YEUPDYXQWXRJOX-RSQPEXBXSA-N 1 2 355.822 2.524 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595746208 520694075 /nfs/dbraw/zinc/69/40/75/520694075.db2.gz YEUPDYXQWXRJOX-RSQPEXBXSA-N 1 2 355.822 2.524 20 5 FFBDLO O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000593040144 520700725 /nfs/dbraw/zinc/70/07/25/520700725.db2.gz OQMDKUIHWJREQF-UHFFFAOYSA-N 1 2 373.384 2.747 20 5 FFBDLO COc1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000595759198 520704646 /nfs/dbraw/zinc/70/46/46/520704646.db2.gz JKHFOTGXZMLBIW-ZDUSSCGKSA-N 1 2 355.394 2.989 20 5 FFBDLO COc1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000595759198 520704647 /nfs/dbraw/zinc/70/46/47/520704647.db2.gz JKHFOTGXZMLBIW-ZDUSSCGKSA-N 1 2 355.394 2.989 20 5 FFBDLO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1c1ncc([N+](=O)[O-])cc1Br ZINC000610512521 520721934 /nfs/dbraw/zinc/72/19/34/520721934.db2.gz CUPXYWUDILNMID-MNOVXSKESA-N 1 2 355.236 2.815 20 5 FFBDLO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1c1ncc([N+](=O)[O-])cc1Br ZINC000610512521 520721943 /nfs/dbraw/zinc/72/19/43/520721943.db2.gz CUPXYWUDILNMID-MNOVXSKESA-N 1 2 355.236 2.815 20 5 FFBDLO CCn1cc(C[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C(C)C)cn1 ZINC000593082248 520732000 /nfs/dbraw/zinc/73/20/00/520732000.db2.gz UVCQWPQXUWHECU-UHFFFAOYSA-N 1 2 359.430 2.969 20 5 FFBDLO CCn1cc(C[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C(C)C)cn1 ZINC000593082248 520732006 /nfs/dbraw/zinc/73/20/06/520732006.db2.gz UVCQWPQXUWHECU-UHFFFAOYSA-N 1 2 359.430 2.969 20 5 FFBDLO Cn1cc[nH+]c1C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC000613978852 520751370 /nfs/dbraw/zinc/75/13/70/520751370.db2.gz WNANJDWKOQGYPY-MRXNPFEDSA-N 1 2 366.377 2.748 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@]3(CC3(F)F)C2)c([N+](=O)[O-])c1 ZINC000593117322 520758524 /nfs/dbraw/zinc/75/85/24/520758524.db2.gz LZZLDPAGXNQBMI-MEBBXXQBSA-N 1 2 355.341 2.662 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@]3(CC3(F)F)C2)c([N+](=O)[O-])c1 ZINC000593117322 520758530 /nfs/dbraw/zinc/75/85/30/520758530.db2.gz LZZLDPAGXNQBMI-MEBBXXQBSA-N 1 2 355.341 2.662 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000595902777 520809506 /nfs/dbraw/zinc/80/95/06/520809506.db2.gz OCKHEIMRIMESMX-UHFFFAOYSA-N 1 2 355.394 2.651 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000595902777 520809515 /nfs/dbraw/zinc/80/95/15/520809515.db2.gz OCKHEIMRIMESMX-UHFFFAOYSA-N 1 2 355.394 2.651 20 5 FFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000610786789 520842652 /nfs/dbraw/zinc/84/26/52/520842652.db2.gz SHJOYXZASLSQSE-GOEBONIOSA-N 1 2 370.327 2.925 20 5 FFBDLO CC[C@@H]1COC(C)(C)CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000593258837 520863258 /nfs/dbraw/zinc/86/32/58/520863258.db2.gz SPILMEOQEUVAJP-CQSZACIVSA-N 1 2 358.398 2.810 20 5 FFBDLO CC[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H](CC)CO1 ZINC000593258619 520863764 /nfs/dbraw/zinc/86/37/64/520863764.db2.gz QNODDNCUGJOJGD-HUUCEWRRSA-N 1 2 358.398 2.810 20 5 FFBDLO COC(=O)c1c(Cl)c(NCC[N@@H+]2CCOCC2(C)C)ccc1[N+](=O)[O-] ZINC000596112278 520919992 /nfs/dbraw/zinc/91/99/92/520919992.db2.gz LXSLDQVKNPRTHY-UHFFFAOYSA-N 1 2 371.821 2.558 20 5 FFBDLO COC(=O)c1c(Cl)c(NCC[N@H+]2CCOCC2(C)C)ccc1[N+](=O)[O-] ZINC000596112278 520919999 /nfs/dbraw/zinc/91/99/99/520919999.db2.gz LXSLDQVKNPRTHY-UHFFFAOYSA-N 1 2 371.821 2.558 20 5 FFBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598947171 520935600 /nfs/dbraw/zinc/93/56/00/520935600.db2.gz KEDKMKPBFPTNBI-LLVKDONJSA-N 1 2 366.830 2.668 20 5 FFBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2cc([N+](=O)[O-])cn2C)c(C)c1 ZINC000611001807 520942113 /nfs/dbraw/zinc/94/21/13/520942113.db2.gz KXYSQTBDVZRBDD-QGZVFWFLSA-N 1 2 367.409 2.918 20 5 FFBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000596247135 520993409 /nfs/dbraw/zinc/99/34/09/520993409.db2.gz LCQWIPDNGGZNPW-CYBMUJFWSA-N 1 2 359.348 2.915 20 5 FFBDLO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C(c1nccn1C)c1nccn1C ZINC000599062162 521006568 /nfs/dbraw/zinc/00/65/68/521006568.db2.gz JPVIBKUHTFQJAE-CQSZACIVSA-N 1 2 368.441 2.762 20 5 FFBDLO O=[N+]([O-])c1cc2c(cc1C[NH+]1CCN(c3ccc(F)cc3)CC1)OCCO2 ZINC000611249532 521056010 /nfs/dbraw/zinc/05/60/10/521056010.db2.gz JECASKVYMNSEAM-UHFFFAOYSA-N 1 2 373.384 2.827 20 5 FFBDLO Cc1ccc(Sc2ccc(C[N@H+]3C[C@H](O)C[C@H](O)C3)cc2[N+](=O)[O-])cc1 ZINC000611276780 521074708 /nfs/dbraw/zinc/07/47/08/521074708.db2.gz IRKYGRWOWKBTFZ-IYBDPMFKSA-N 1 2 374.462 2.982 20 5 FFBDLO Cc1ccc(Sc2ccc(C[N@@H+]3C[C@H](O)C[C@H](O)C3)cc2[N+](=O)[O-])cc1 ZINC000611276780 521074718 /nfs/dbraw/zinc/07/47/18/521074718.db2.gz IRKYGRWOWKBTFZ-IYBDPMFKSA-N 1 2 374.462 2.982 20 5 FFBDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000602056520 521109498 /nfs/dbraw/zinc/10/94/98/521109498.db2.gz SKDJNBJDRMUTPD-IBGZPJMESA-N 1 2 369.421 2.836 20 5 FFBDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000602056520 521109505 /nfs/dbraw/zinc/10/95/05/521109505.db2.gz SKDJNBJDRMUTPD-IBGZPJMESA-N 1 2 369.421 2.836 20 5 FFBDLO O=C1[C@@H]([NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)CCN1C1CCCCC1 ZINC000599261670 521115662 /nfs/dbraw/zinc/11/56/62/521115662.db2.gz WPKHTEKRHGUPNP-IBGZPJMESA-N 1 2 372.469 2.650 20 5 FFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596598173 521156660 /nfs/dbraw/zinc/15/66/60/521156660.db2.gz DDIAMPNQTGGKHI-LBPRGKRZSA-N 1 2 357.414 2.729 20 5 FFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596598173 521156667 /nfs/dbraw/zinc/15/66/67/521156667.db2.gz DDIAMPNQTGGKHI-LBPRGKRZSA-N 1 2 357.414 2.729 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3nc4c(s3)CCCC4)CC2)cn1 ZINC000611451049 521165599 /nfs/dbraw/zinc/16/55/99/521165599.db2.gz WFQSZKIGYNDDMN-UHFFFAOYSA-N 1 2 359.455 2.647 20 5 FFBDLO O=C(CCCn1cc[nH+]c1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000618745066 521210875 /nfs/dbraw/zinc/21/08/75/521210875.db2.gz AIENFDJCNPRECM-UHFFFAOYSA-N 1 2 356.304 2.907 20 5 FFBDLO CN(C)c1nc(CN[C@@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000611560746 521219403 /nfs/dbraw/zinc/21/94/03/521219403.db2.gz LOJZQYRJXZDVMG-OAHLLOKOSA-N 1 2 372.454 2.730 20 5 FFBDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000602343052 521290601 /nfs/dbraw/zinc/29/06/01/521290601.db2.gz TUSDUVGDTGTVQG-UHFFFAOYSA-N 1 2 374.740 2.555 20 5 FFBDLO Cn1cc(C[N@H+](C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)c([N+](=O)[O-])n1 ZINC000602445674 521348616 /nfs/dbraw/zinc/34/86/16/521348616.db2.gz SLFICPXAMUJDNI-ZIAGYGMSSA-N 1 2 371.224 2.725 20 5 FFBDLO Cn1cc(C[N@@H+](C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)c([N+](=O)[O-])n1 ZINC000602445674 521348621 /nfs/dbraw/zinc/34/86/21/521348621.db2.gz SLFICPXAMUJDNI-ZIAGYGMSSA-N 1 2 371.224 2.725 20 5 FFBDLO Cn1cc(C[N@H+](C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)c([N+](=O)[O-])n1 ZINC000602445672 521349448 /nfs/dbraw/zinc/34/94/48/521349448.db2.gz SLFICPXAMUJDNI-KGLIPLIRSA-N 1 2 371.224 2.725 20 5 FFBDLO Cn1cc(C[N@@H+](C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)c([N+](=O)[O-])n1 ZINC000602445672 521349456 /nfs/dbraw/zinc/34/94/56/521349456.db2.gz SLFICPXAMUJDNI-KGLIPLIRSA-N 1 2 371.224 2.725 20 5 FFBDLO Cn1cc(C[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])n1 ZINC000602449452 521352337 /nfs/dbraw/zinc/35/23/37/521352337.db2.gz MOGMJNCPUOUPCL-RKDXNWHRSA-N 1 2 360.258 2.891 20 5 FFBDLO Cc1noc(C[NH+]2CCC(Cc3nc(C4CCC4)no3)CC2)c1[N+](=O)[O-] ZINC000599646439 521356483 /nfs/dbraw/zinc/35/64/83/521356483.db2.gz WTQCQQZSIUEGAK-UHFFFAOYSA-N 1 2 361.402 2.996 20 5 FFBDLO C[C@H]1C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC2(CCCCC2)O1 ZINC000594057212 521377250 /nfs/dbraw/zinc/37/72/50/521377250.db2.gz BFFIVQKTRSPZOP-HNNXBMFYSA-N 1 2 373.453 2.908 20 5 FFBDLO C[C@H]1C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC2(CCCCC2)O1 ZINC000594057212 521377259 /nfs/dbraw/zinc/37/72/59/521377259.db2.gz BFFIVQKTRSPZOP-HNNXBMFYSA-N 1 2 373.453 2.908 20 5 FFBDLO CN(CCCn1cc[nH+]c1)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599694238 521407044 /nfs/dbraw/zinc/40/70/44/521407044.db2.gz OSNXINYBCAFMQS-UHFFFAOYSA-N 1 2 367.203 2.716 20 5 FFBDLO CN(C)c1cc[nH+]c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000612345282 521585521 /nfs/dbraw/zinc/58/55/21/521585521.db2.gz FOGWIGJWXDUWBU-UHFFFAOYSA-N 1 2 355.398 2.908 20 5 FFBDLO Cn1cc(C[N@@H+]2CCO[C@@](C)(C(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597253145 521597448 /nfs/dbraw/zinc/59/74/48/521597448.db2.gz YHXRFXNHSLOUOZ-QGZVFWFLSA-N 1 2 366.368 2.851 20 5 FFBDLO Cn1cc(C[N@H+]2CCO[C@@](C)(C(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597253145 521597453 /nfs/dbraw/zinc/59/74/53/521597453.db2.gz YHXRFXNHSLOUOZ-QGZVFWFLSA-N 1 2 366.368 2.851 20 5 FFBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000619777818 521865750 /nfs/dbraw/zinc/86/57/50/521865750.db2.gz BBQAYHZEUIRWRA-QGZVFWFLSA-N 1 2 359.813 2.964 20 5 FFBDLO CCS[C@H]1CCCC[N@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000153101896 728772391 /nfs/dbraw/zinc/77/23/91/728772391.db2.gz KYBZCCLWUWFJIQ-LBPRGKRZSA-N 1 2 363.439 2.756 20 5 FFBDLO CCS[C@H]1CCCC[N@@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000153101896 728772395 /nfs/dbraw/zinc/77/23/95/728772395.db2.gz KYBZCCLWUWFJIQ-LBPRGKRZSA-N 1 2 363.439 2.756 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Oc1cccc(-n2cc[nH+]c2)c1 ZINC000159012359 728899112 /nfs/dbraw/zinc/89/91/12/728899112.db2.gz LEOSKIRZJKFJIL-UHFFFAOYSA-N 1 2 359.363 2.857 20 5 FFBDLO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N(C)CCCn1cc[nH+]c1 ZINC000133030902 728726042 /nfs/dbraw/zinc/72/60/42/728726042.db2.gz NUXWFRIVDHTHCE-UHFFFAOYSA-N 1 2 350.350 2.634 20 5 FFBDLO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000134902918 728733965 /nfs/dbraw/zinc/73/39/65/728733965.db2.gz ZODWVWYGWJCKGO-HNNXBMFYSA-N 1 2 367.833 2.575 20 5 FFBDLO COc1cccc([C@H]2CN(C(=O)c3cc([N+](=O)[O-])c(C)s3)CC[NH2+]2)c1 ZINC000870147591 731475038 /nfs/dbraw/zinc/47/50/38/731475038.db2.gz FKVJZAOCTUHJTH-CQSZACIVSA-N 1 2 361.423 2.760 20 5 FFBDLO CO[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000880302259 732883368 /nfs/dbraw/zinc/88/33/68/732883368.db2.gz FKSAAVMKVPKPQX-AWEZNQCLSA-N 1 2 362.304 2.615 20 5 FFBDLO CO[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000880302259 732883371 /nfs/dbraw/zinc/88/33/71/732883371.db2.gz FKSAAVMKVPKPQX-AWEZNQCLSA-N 1 2 362.304 2.615 20 5 FFBDLO C/C(=C\C(=O)NCc1nc(C[NH+](C)C)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000927767715 738780660 /nfs/dbraw/zinc/78/06/60/738780660.db2.gz FANKEUCONOVDGQ-XYOKQWHBSA-N 1 2 360.439 2.833 20 5 FFBDLO C[N@H+](Cc1ccc(OCC(N)=O)cc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000725796160 734391196 /nfs/dbraw/zinc/39/11/96/734391196.db2.gz QQZMDLYXYLEDNN-UHFFFAOYSA-N 1 2 363.801 2.744 20 5 FFBDLO C[N@@H+](Cc1ccc(OCC(N)=O)cc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000725796160 734391199 /nfs/dbraw/zinc/39/11/99/734391199.db2.gz QQZMDLYXYLEDNN-UHFFFAOYSA-N 1 2 363.801 2.744 20 5 FFBDLO O=[N+]([O-])c1cnc2ccccc2c1N1CC[NH+](Cc2cncs2)CC1 ZINC000894856174 734928133 /nfs/dbraw/zinc/92/81/33/734928133.db2.gz RIMDCEDUIXWAIN-UHFFFAOYSA-N 1 2 355.423 2.922 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cn(C)nc1Br ZINC000903188490 736051581 /nfs/dbraw/zinc/05/15/81/736051581.db2.gz RRFAVHPCNUWRRK-SECBINFHSA-N 1 2 369.219 2.950 20 5 FFBDLO CCOC(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000754992566 736224369 /nfs/dbraw/zinc/22/43/69/736224369.db2.gz FWHQNQOCYNKVNR-UHFFFAOYSA-N 1 2 351.403 2.658 20 5 FFBDLO CCOC(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000754992566 736224372 /nfs/dbraw/zinc/22/43/72/736224372.db2.gz FWHQNQOCYNKVNR-UHFFFAOYSA-N 1 2 351.403 2.658 20 5 FFBDLO Cc1nn(C[NH+]2CCC(O)(C(F)(F)F)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000760284933 736626842 /nfs/dbraw/zinc/62/68/42/736626842.db2.gz IHQKKMRKHBLGFN-UHFFFAOYSA-N 1 2 358.320 2.600 20 5 FFBDLO O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000764298297 737009492 /nfs/dbraw/zinc/00/94/92/737009492.db2.gz KZACXQAECWPPGS-GJZGRUSLSA-N 1 2 367.833 2.621 20 5 FFBDLO O=C(C[NH+]1CCC(O)(C2CCC2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000932820556 739524822 /nfs/dbraw/zinc/52/48/22/739524822.db2.gz OFLTYNDVEOBEBK-UHFFFAOYSA-N 1 2 367.833 2.814 20 5 FFBDLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813601688 741738562 /nfs/dbraw/zinc/73/85/62/741738562.db2.gz ABKFCAHLPALIJP-VIFPVBQESA-N 1 2 355.181 2.843 20 5 FFBDLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1ccc(Br)cc1[N+](=O)[O-] ZINC000820393234 742501129 /nfs/dbraw/zinc/50/11/29/742501129.db2.gz MJUUOHBOPXDFSH-LBPRGKRZSA-N 1 2 357.204 2.885 20 5 FFBDLO C[N@H+]1CCCC[C@H]1C(=O)OCc1ccc(Br)cc1[N+](=O)[O-] ZINC000820393234 742501135 /nfs/dbraw/zinc/50/11/35/742501135.db2.gz MJUUOHBOPXDFSH-LBPRGKRZSA-N 1 2 357.204 2.885 20 5 FFBDLO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000822502941 742744977 /nfs/dbraw/zinc/74/49/77/742744977.db2.gz BFUFMIZRKIXBEB-LLVKDONJSA-N 1 2 366.219 2.786 20 5 FFBDLO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000822502941 742744979 /nfs/dbraw/zinc/74/49/79/742744979.db2.gz BFUFMIZRKIXBEB-LLVKDONJSA-N 1 2 366.219 2.786 20 5 FFBDLO Cc1cc(Cl)c(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000824102917 743021133 /nfs/dbraw/zinc/02/11/33/743021133.db2.gz AWHVZSYDLKVNFA-MRXNPFEDSA-N 1 2 369.849 2.643 20 5 FFBDLO C[C@]1(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CC1(Cl)Cl ZINC000830047808 745299063 /nfs/dbraw/zinc/29/90/63/745299063.db2.gz BUBIGSBTBQEEPT-OAHLLOKOSA-N 1 2 372.252 2.937 20 5 FFBDLO COC(=O)c1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cs1 ZINC000839458563 746831506 /nfs/dbraw/zinc/83/15/06/746831506.db2.gz UDXBSHWUEWRSFZ-UHFFFAOYSA-N 1 2 361.423 2.765 20 5 FFBDLO Cc1nc(N2CCN(c3cc(Cl)c(F)cc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000845519152 748274845 /nfs/dbraw/zinc/27/48/45/748274845.db2.gz YZWOHVCBARQZQC-UHFFFAOYSA-N 1 2 351.769 2.812 20 5 FFBDLO CC[NH+](CC)Cc1csc(NC(=O)c2ccnc(NC)c2[N+](=O)[O-])n1 ZINC000847379623 748689195 /nfs/dbraw/zinc/68/91/95/748689195.db2.gz YNMRCAPIAMKFJD-UHFFFAOYSA-N 1 2 364.431 2.582 20 5 FFBDLO C[C@@H]1CC[N@H+](CC(=O)N[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)C1 ZINC000848224175 748880180 /nfs/dbraw/zinc/88/01/80/748880180.db2.gz LLFCTEUWJHXWTD-YMTOWFKASA-N 1 2 363.311 2.795 20 5 FFBDLO C[C@@H]1CC[N@@H+](CC(=O)N[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)C1 ZINC000848224175 748880182 /nfs/dbraw/zinc/88/01/82/748880182.db2.gz LLFCTEUWJHXWTD-YMTOWFKASA-N 1 2 363.311 2.795 20 5 FFBDLO C[C@H]1C[N@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)CCC1(F)F ZINC000848491085 748940170 /nfs/dbraw/zinc/94/01/70/748940170.db2.gz RHQIUSAOTDWZJS-WFASDCNBSA-N 1 2 353.369 2.845 20 5 FFBDLO C[C@H]1C[N@@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)CCC1(F)F ZINC000848491085 748940175 /nfs/dbraw/zinc/94/01/75/748940175.db2.gz RHQIUSAOTDWZJS-WFASDCNBSA-N 1 2 353.369 2.845 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]CC1SCCS1)c1ccc([N+](=O)[O-])cc1 ZINC000850559567 749387658 /nfs/dbraw/zinc/38/76/58/749387658.db2.gz DQMRVWRJPNWLPZ-CQSZACIVSA-N 1 2 350.469 2.813 20 5 FFBDLO C[C@H](NC(=O)c1cc2ccccc2c2cccnc12)[C@H]1CN(C)CC[N@@H+]1C ZINC000896569852 971594812 /nfs/dbraw/zinc/59/48/12/971594812.db2.gz JESHXHYSVYJZLD-MGPUTAFESA-N 1 2 362.477 2.752 20 5 FFBDLO C[C@H](NC(=O)c1cc2ccccc2c2cccnc12)[C@H]1CN(C)CC[N@H+]1C ZINC000896569852 971594815 /nfs/dbraw/zinc/59/48/15/971594815.db2.gz JESHXHYSVYJZLD-MGPUTAFESA-N 1 2 362.477 2.752 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1)c1cccc([N+](=O)[O-])c1 ZINC000872107794 1013146765 /nfs/dbraw/zinc/14/67/65/1013146765.db2.gz OXJKJDUYSFZMEM-VIBAHUMZSA-N 1 2 356.426 2.965 20 5 FFBDLO C/C(=C/C(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000785178038 968113789 /nfs/dbraw/zinc/11/37/89/968113789.db2.gz YXICQRQNYWIGEA-OWBHPGMISA-N 1 2 354.410 2.890 20 5 FFBDLO COc1cc(C(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)cc([N+](=O)[O-])c1C ZINC000874891057 1013924458 /nfs/dbraw/zinc/92/44/58/1013924458.db2.gz GNETWFGFRBFJRF-INIZCTEOSA-N 1 2 373.384 2.838 20 5 FFBDLO CCOC(=O)Cc1ccc(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000825832340 1014095239 /nfs/dbraw/zinc/09/52/39/1014095239.db2.gz ORJCXAYKSYHRCZ-KDOFPFPSSA-N 1 2 372.425 2.984 20 5 FFBDLO CN(CC[N@H+](C)Cc1cc(Cl)ccc1Cl)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001272013535 979719994 /nfs/dbraw/zinc/71/99/94/979719994.db2.gz LKUYITURHCYVTD-TZMCWYRMSA-N 1 2 360.241 2.549 20 5 FFBDLO CN(CC[N@@H+](C)Cc1cc(Cl)ccc1Cl)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001272013535 979720001 /nfs/dbraw/zinc/72/00/01/979720001.db2.gz LKUYITURHCYVTD-TZMCWYRMSA-N 1 2 360.241 2.549 20 5 FFBDLO COc1ccc(C[N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1F ZINC000027212285 981254118 /nfs/dbraw/zinc/25/41/18/981254118.db2.gz INMAKCMQEQZOIM-UHFFFAOYSA-N 1 2 373.384 2.764 20 5 FFBDLO COc1ccc(C[N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1F ZINC000027212285 981254122 /nfs/dbraw/zinc/25/41/22/981254122.db2.gz INMAKCMQEQZOIM-UHFFFAOYSA-N 1 2 373.384 2.764 20 5 FFBDLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000054531816 982205607 /nfs/dbraw/zinc/20/56/07/982205607.db2.gz MSDIKQDPLMYPKD-HZPDHXFCSA-N 1 2 360.458 2.506 20 5 FFBDLO CC[N@H+](CCc1ccccc1)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000054545018 982378600 /nfs/dbraw/zinc/37/86/00/982378600.db2.gz UQHAUODAPPIFAJ-UHFFFAOYSA-N 1 2 353.378 2.713 20 5 FFBDLO CC[N@@H+](CCc1ccccc1)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000054545018 982378609 /nfs/dbraw/zinc/37/86/09/982378609.db2.gz UQHAUODAPPIFAJ-UHFFFAOYSA-N 1 2 353.378 2.713 20 5 FFBDLO CC1(C)[C@@H]2OCC[C@H]2[C@@H]1OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000126942530 1014894639 /nfs/dbraw/zinc/89/46/39/1014894639.db2.gz ZWDCPSOXOGRFRU-WQVCFCJDSA-N 1 2 357.366 2.751 20 5 FFBDLO CC(C)[C@H]1CC(=O)N(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000173434843 985833711 /nfs/dbraw/zinc/83/37/11/985833711.db2.gz QDAXEJUVWOKFFU-HNNXBMFYSA-N 1 2 361.442 2.900 20 5 FFBDLO COc1ccccc1[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000879630247 1015616993 /nfs/dbraw/zinc/61/69/93/1015616993.db2.gz HKAHWSFXOJLHSE-MJGOQNOKSA-N 1 2 358.394 2.710 20 5 FFBDLO COc1ccccc1[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000879630247 1015616997 /nfs/dbraw/zinc/61/69/97/1015616997.db2.gz HKAHWSFXOJLHSE-MJGOQNOKSA-N 1 2 358.394 2.710 20 5 FFBDLO O=C(Nc1ccc2c(c1)C(=O)OC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000809351929 994493268 /nfs/dbraw/zinc/49/32/68/994493268.db2.gz AZMQEUPBCSCLRU-UHFFFAOYSA-N 1 2 364.317 2.703 20 5 FFBDLO Cn1nc2c(c1NC(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)CCCC2 ZINC001131827478 994585264 /nfs/dbraw/zinc/58/52/64/994585264.db2.gz DCDGASZSKHFCSP-UHFFFAOYSA-N 1 2 366.381 2.645 20 5 FFBDLO CC1(C)C[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1[C@@H]1CCCO1 ZINC000811777719 995240836 /nfs/dbraw/zinc/24/08/36/995240836.db2.gz JNONVFKLAFMGBM-HOTGVXAUSA-N 1 2 357.414 2.700 20 5 FFBDLO CC1(C)C[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1[C@@H]1CCCO1 ZINC000811777719 995240843 /nfs/dbraw/zinc/24/08/43/995240843.db2.gz JNONVFKLAFMGBM-HOTGVXAUSA-N 1 2 357.414 2.700 20 5 FFBDLO C[C@@H](CC(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)n1cc[nH+]c1 ZINC000845458074 998545533 /nfs/dbraw/zinc/54/55/33/998545533.db2.gz XVQLTHPXFMJAFX-AWEZNQCLSA-N 1 2 373.413 2.597 20 5 FFBDLO C[C@@H]([C@H](OC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccccc1F)[N+](=O)[O-] ZINC000845882038 998678381 /nfs/dbraw/zinc/67/83/81/998678381.db2.gz QIDBNWCGDPOWPM-SGTLLEGYSA-N 1 2 361.373 2.851 20 5 FFBDLO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CCC(n2cc[nH+]c2)CC1 ZINC000732568055 998704727 /nfs/dbraw/zinc/70/47/27/998704727.db2.gz HLKTXKDNSMOBAD-UHFFFAOYSA-N 1 2 355.398 2.525 20 5 FFBDLO CCOC(=O)CC[N@H+](Cc1cccnc1)Cc1cc([N+](=O)[O-])ccc1OC ZINC001169165433 1000029250 /nfs/dbraw/zinc/02/92/50/1000029250.db2.gz XHSKZGRFEFDTLL-UHFFFAOYSA-N 1 2 373.409 2.954 20 5 FFBDLO CCOC(=O)CC[N@@H+](Cc1cccnc1)Cc1cc([N+](=O)[O-])ccc1OC ZINC001169165433 1000029254 /nfs/dbraw/zinc/02/92/54/1000029254.db2.gz XHSKZGRFEFDTLL-UHFFFAOYSA-N 1 2 373.409 2.954 20 5 FFBDLO O=[N+]([O-])c1cc(-c2nc(-c3cnc4cnccn43)no2)ccc1-n1cc[nH+]c1 ZINC000771540703 1001139727 /nfs/dbraw/zinc/13/97/27/1001139727.db2.gz AZTXJWNUFGMYHK-UHFFFAOYSA-N 1 2 374.320 2.540 20 5 FFBDLO O=C(O[C@@H]1Cc2ccccc2C1=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785676329 1001466452 /nfs/dbraw/zinc/46/64/52/1001466452.db2.gz SBMTVJRXMACPPG-QGZVFWFLSA-N 1 2 363.329 2.745 20 5 FFBDLO COc1ccc(C[NH+]2CCN(c3ccc(N)cc3[N+](=O)[O-])CC2)cc1F ZINC000786574486 1001610906 /nfs/dbraw/zinc/61/09/06/1001610906.db2.gz OFNNZABPDLVFCT-UHFFFAOYSA-N 1 2 360.389 2.647 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCO[C@H]([C@@H]2COC(C)(C)O2)C1 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/nfs/dbraw/zinc/41/09/11/1003410911.db2.gz LZVUHCDLEGMGMM-ZBFHGGJFSA-N 1 2 366.368 2.771 20 5 FFBDLO Cc1csc(CCCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000102304992 1004427072 /nfs/dbraw/zinc/42/70/72/1004427072.db2.gz RVMOAHAKDHLXAQ-UHFFFAOYSA-N 1 2 371.422 2.908 20 5 FFBDLO Cc1noc(C[N@@H+]2CCC[C@H]2COC(=O)NC2CCCCC2)c1[N+](=O)[O-] ZINC000852043845 1005936318 /nfs/dbraw/zinc/93/63/18/1005936318.db2.gz AVOQELBHEXPJJF-AWEZNQCLSA-N 1 2 366.418 2.915 20 5 FFBDLO Cc1noc(C[N@H+]2CCC[C@H]2COC(=O)NC2CCCCC2)c1[N+](=O)[O-] ZINC000852043845 1005936321 /nfs/dbraw/zinc/93/63/21/1005936321.db2.gz AVOQELBHEXPJJF-AWEZNQCLSA-N 1 2 366.418 2.915 20 5 FFBDLO CCc1nc(C)c(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)o1 ZINC000814069273 1006120331 /nfs/dbraw/zinc/12/03/31/1006120331.db2.gz ZTGXNPLUYAZSDH-UHFFFAOYSA-N 1 2 356.338 2.996 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2ncn(C[NH+]3CCC(c4ccon4)CC3)n2)cc1 ZINC000853592047 1006463781 /nfs/dbraw/zinc/46/37/81/1006463781.db2.gz BOKFBRMTXDYKOS-UHFFFAOYSA-N 1 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CC[C@H]([NH2+]C(c1ccnn1C)c1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000858581546 1008385794 /nfs/dbraw/zinc/38/57/94/1008385794.db2.gz KRRDHZPGFWTAGE-HNNXBMFYSA-N 1 2 354.414 2.892 20 5 FFBDLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](CC[N+](=O)[O-])CC[C@H]1c1ccc(F)cc1 ZINC001170982311 1008547338 /nfs/dbraw/zinc/54/73/38/1008547338.db2.gz ZKRSNHHBNNXDCJ-JKSUJKDBSA-N 1 2 367.421 2.785 20 5 FFBDLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](CC[N+](=O)[O-])CC[C@H]1c1ccc(F)cc1 ZINC001170982311 1008547351 /nfs/dbraw/zinc/54/73/51/1008547351.db2.gz ZKRSNHHBNNXDCJ-JKSUJKDBSA-N 1 2 367.421 2.785 20 5 FFBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862169864 1009731516 /nfs/dbraw/zinc/73/15/16/1009731516.db2.gz CDGPQPFJGXZDIA-KGLIPLIRSA-N 1 2 357.410 2.587 20 5 FFBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862169864 1009731520 /nfs/dbraw/zinc/73/15/20/1009731520.db2.gz CDGPQPFJGXZDIA-KGLIPLIRSA-N 1 2 357.410 2.587 20 5 FFBDLO O=[N+]([O-])c1cc(CO)c(N2CC[NH+](Cc3cccc(F)c3)CC2)cc1F ZINC000865621296 1010829468 /nfs/dbraw/zinc/82/94/68/1010829468.db2.gz LFMFADLRLRMRIJ-UHFFFAOYSA-N 1 2 363.364 2.688 20 5 FFBDLO COCC1(C)CC[NH+](Cn2cc(C)n(-c3ccccc3[N+](=O)[O-])c2=O)CC1 ZINC000773273599 1011014489 /nfs/dbraw/zinc/01/44/89/1011014489.db2.gz ZPCBXZCQEALURD-UHFFFAOYSA-N 1 2 374.441 2.562 20 5 FFBDLO CCOC(=O)[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173217018 1012350919 /nfs/dbraw/zinc/35/09/19/1012350919.db2.gz KKOZQFOUBNNQGG-IFXJQAMLSA-N 1 2 372.421 2.995 20 5 FFBDLO COC(=O)[C@H](Cc1cccc(O)c1)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173234079 1012367939 /nfs/dbraw/zinc/36/79/39/1012367939.db2.gz MCZZZAOBSUMPGG-ACJLOTCBSA-N 1 2 358.394 2.605 20 5 FFBDLO C[C@@H](NC(=O)N(C)C[C@@H]1CCn2cc[nH+]c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000925244413 1017676864 /nfs/dbraw/zinc/67/68/64/1017676864.db2.gz VBZRDHSUCLMZGN-ZIAGYGMSSA-N 1 2 357.414 2.756 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000777737471 1019219802 /nfs/dbraw/zinc/21/98/02/1019219802.db2.gz POKMAXLLZKUCTQ-LJQANCHMSA-N 1 2 373.384 2.574 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000777737471 1019219806 /nfs/dbraw/zinc/21/98/06/1019219806.db2.gz POKMAXLLZKUCTQ-LJQANCHMSA-N 1 2 373.384 2.574 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cnc(-c4ccccc4)o3)CC2)cn1 ZINC000929171271 1019303920 /nfs/dbraw/zinc/30/39/20/1019303920.db2.gz JNBDPBKDHQZLSF-UHFFFAOYSA-N 1 2 365.393 2.967 20 5 FFBDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000800499151 1020359347 /nfs/dbraw/zinc/35/93/47/1020359347.db2.gz CYSHXUFTEIBJIO-DNVCBOLYSA-N 1 2 371.437 2.780 20 5 FFBDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000800499151 1020359362 /nfs/dbraw/zinc/35/93/62/1020359362.db2.gz CYSHXUFTEIBJIO-DNVCBOLYSA-N 1 2 371.437 2.780 20 5 FFBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000800866144 1020611529 /nfs/dbraw/zinc/61/15/29/1020611529.db2.gz UFXSKUQWEMGRQN-UHFFFAOYSA-N 1 2 372.337 2.543 20 5 FFBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000800866144 1020611530 /nfs/dbraw/zinc/61/15/30/1020611530.db2.gz UFXSKUQWEMGRQN-UHFFFAOYSA-N 1 2 372.337 2.543 20 5 FFBDLO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000829006535 1032942588 /nfs/dbraw/zinc/94/25/88/1032942588.db2.gz XSXHKCWPBKDTAS-GOSISDBHSA-N 1 2 372.425 2.544 20 5 FFBDLO Cc1cc2nc3nc(=O)[nH]c(O[C@H]4CC[NH2+]CC4(C)C)c3nc2cc1C ZINC001218313319 1033097536 /nfs/dbraw/zinc/09/75/36/1033097536.db2.gz AAKIZCNLPHUVPZ-AWEZNQCLSA-N 1 2 353.426 2.662 20 5 FFBDLO CCc1c(Cl)cc([N+](=O)[O-])c(O[C@@H]2CC[NH2+][C@@H]2C(=O)OC)c1Cl ZINC001218345825 1033117131 /nfs/dbraw/zinc/11/71/31/1033117131.db2.gz CCWAUEJFHZKTPA-PWSUYJOCSA-N 1 2 363.197 2.746 20 5 FFBDLO CC(C)CCOC1CC[NH+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000193409016 1024503408 /nfs/dbraw/zinc/50/34/08/1024503408.db2.gz FEZGRHLALZTCGU-UHFFFAOYSA-N 1 2 363.414 2.987 20 5 FFBDLO C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000759250323 1024534319 /nfs/dbraw/zinc/53/43/19/1024534319.db2.gz WPGRKMXSURPOSZ-ACJLOTCBSA-N 1 2 369.425 2.771 20 5 FFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000779883646 1025219411 /nfs/dbraw/zinc/21/94/11/1025219411.db2.gz DQDFNLCBPADASS-CQSZACIVSA-N 1 2 369.377 2.861 20 5 FFBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000779883646 1025219428 /nfs/dbraw/zinc/21/94/28/1025219428.db2.gz DQDFNLCBPADASS-CQSZACIVSA-N 1 2 369.377 2.861 20 5 FFBDLO CCC(CC)NC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000838102414 1026209658 /nfs/dbraw/zinc/20/96/58/1026209658.db2.gz QJDWSJDRSNHJBN-LBPRGKRZSA-N 1 2 374.397 2.631 20 5 FFBDLO O=C1CC2(CCC2)C(=O)N1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000840127156 1026971074 /nfs/dbraw/zinc/97/10/74/1026971074.db2.gz RPAVMEXXPXSWJD-OAHLLOKOSA-N 1 2 357.410 2.661 20 5 FFBDLO O=C1CC2(CCC2)C(=O)N1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000840127156 1026971080 /nfs/dbraw/zinc/97/10/80/1026971080.db2.gz RPAVMEXXPXSWJD-OAHLLOKOSA-N 1 2 357.410 2.661 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC001161012641 1027974709 /nfs/dbraw/zinc/97/47/09/1027974709.db2.gz GFTGKLLQINNFLR-ZDUSSCGKSA-N 1 2 351.366 2.975 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(N2CCc3onc(Cn4cc[nH+]c4)c3C2)nc1Cl ZINC001165549405 1030022456 /nfs/dbraw/zinc/02/24/56/1030022456.db2.gz PGRCCZHIFQBOPN-UHFFFAOYSA-N 1 2 374.788 2.747 20 5 FFBDLO C[C@H](C(=O)OCC1CN(c2cccc[nH+]2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000842888280 1031025036 /nfs/dbraw/zinc/02/50/36/1031025036.db2.gz JNICQZVECBIECL-LBPRGKRZSA-N 1 2 359.357 2.912 20 5 FFBDLO 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FFBCYGAFFQHZEX-UHFFFAOYSA-N 1 2 369.406 2.827 20 5 FFBDLO O=C1CCCN1C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000093088496 250014993 /nfs/dbraw/zinc/01/49/93/250014993.db2.gz ABTRVVJBWRVMQI-UHFFFAOYSA-N 1 2 369.368 2.783 20 5 FFBDLO C[C@H](C(=O)NC1CCCC1)N1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000103491958 250157384 /nfs/dbraw/zinc/15/73/84/250157384.db2.gz KJVKENMWWFTLJE-JKSUJKDBSA-N 1 2 374.485 2.721 20 5 FFBDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000103491958 250157389 /nfs/dbraw/zinc/15/73/89/250157389.db2.gz KJVKENMWWFTLJE-JKSUJKDBSA-N 1 2 374.485 2.721 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)c1 ZINC000264618590 251325504 /nfs/dbraw/zinc/32/55/04/251325504.db2.gz HPZWZCWYQYATND-ZDUSSCGKSA-N 1 2 358.398 2.836 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H]3[C@@H](O)C(F)(F)F)n2)cc1 ZINC000264632320 251329639 /nfs/dbraw/zinc/32/96/39/251329639.db2.gz VFWRVRSGOPORAH-DGCLKSJQSA-N 1 2 372.303 2.532 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3[C@@H](O)C(F)(F)F)n2)cc1 ZINC000264632320 251329641 /nfs/dbraw/zinc/32/96/41/251329641.db2.gz VFWRVRSGOPORAH-DGCLKSJQSA-N 1 2 372.303 2.532 20 5 FFBDLO CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268772128 251379474 /nfs/dbraw/zinc/37/94/74/251379474.db2.gz YNADBKZSHSSAFM-MRXNPFEDSA-N 1 2 355.394 2.647 20 5 FFBDLO CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268772128 251379476 /nfs/dbraw/zinc/37/94/76/251379476.db2.gz YNADBKZSHSSAFM-MRXNPFEDSA-N 1 2 355.394 2.647 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000272507636 252055011 /nfs/dbraw/zinc/05/50/11/252055011.db2.gz IHMYCKFOCGWGCH-MOPGFXCFSA-N 1 2 366.421 2.611 20 5 FFBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H]([C@H](O)C(F)(F)F)C3)nc2c1 ZINC000277869179 256249594 /nfs/dbraw/zinc/24/95/94/256249594.db2.gz UQUJEVJPGSUADL-OTYXRUKQSA-N 1 2 359.304 2.871 20 5 FFBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H]([C@H](O)C(F)(F)F)C3)nc2c1 ZINC000277869179 256249595 /nfs/dbraw/zinc/24/95/95/256249595.db2.gz UQUJEVJPGSUADL-OTYXRUKQSA-N 1 2 359.304 2.871 20 5 FFBDLO C[C@@H](c1nccs1)[NH+]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000278205173 256287775 /nfs/dbraw/zinc/28/77/75/256287775.db2.gz FIMUOWYXLCAPAC-LBPRGKRZSA-N 1 2 359.455 2.903 20 5 FFBDLO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000278816524 256351082 /nfs/dbraw/zinc/35/10/82/256351082.db2.gz ZCAYDYNXONYKBR-AWEZNQCLSA-N 1 2 369.385 2.631 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000279731654 256445425 /nfs/dbraw/zinc/44/54/25/256445425.db2.gz JPOKWZRVMOZFBA-CQSZACIVSA-N 1 2 350.415 2.763 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000279731654 256445426 /nfs/dbraw/zinc/44/54/26/256445426.db2.gz JPOKWZRVMOZFBA-CQSZACIVSA-N 1 2 350.415 2.763 20 5 FFBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000281073085 256600490 /nfs/dbraw/zinc/60/04/90/256600490.db2.gz BUDTXNCJRJODTB-UHFFFAOYSA-N 1 2 370.409 2.919 20 5 FFBDLO O=C1N[C@H]2CC[N@@H+](Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@@H]2CO1 ZINC000289490199 257283924 /nfs/dbraw/zinc/28/39/24/257283924.db2.gz YYPDGATWNWMFSO-SKDRFNHKSA-N 1 2 360.197 2.832 20 5 FFBDLO O=C1N[C@H]2CC[N@H+](Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@@H]2CO1 ZINC000289490199 257283925 /nfs/dbraw/zinc/28/39/25/257283925.db2.gz YYPDGATWNWMFSO-SKDRFNHKSA-N 1 2 360.197 2.832 20 5 FFBDLO Cc1cc(NCC(=O)NCc2ccco2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301078978 258023484 /nfs/dbraw/zinc/02/34/84/258023484.db2.gz HXCCWCLIHXUSPX-UHFFFAOYSA-N 1 2 367.365 2.682 20 5 FFBDLO NC(=O)c1cc([N+](=O)[O-])cnc1Nc1ccc(Nc2ccccc2)[nH+]c1 ZINC000301165225 258030757 /nfs/dbraw/zinc/03/07/57/258030757.db2.gz IGWBSISNLKEZGP-UHFFFAOYSA-N 1 2 350.338 2.971 20 5 FFBDLO Cn1nc(Br)c2c1nc[nH+]c2NCc1ccc([N+](=O)[O-])cc1 ZINC000301170948 258031232 /nfs/dbraw/zinc/03/12/32/258031232.db2.gz UJTJQZRAIQVMSO-UHFFFAOYSA-N 1 2 363.175 2.646 20 5 FFBDLO Cc1noc(C)c1C[NH+]1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000301249696 258037214 /nfs/dbraw/zinc/03/72/14/258037214.db2.gz AUUNQBXRQAAWES-UHFFFAOYSA-N 1 2 351.794 2.570 20 5 FFBDLO C[C@H]1C[NH+]=C(N2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)S1 ZINC000301363472 258044867 /nfs/dbraw/zinc/04/48/67/258044867.db2.gz RFAPMHIIKVUEJF-LBPRGKRZSA-N 1 2 357.439 2.756 20 5 FFBDLO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299670540 258015587 /nfs/dbraw/zinc/01/55/87/258015587.db2.gz PILUFOFNVMMUSD-UHFFFAOYSA-N 1 2 369.425 2.938 20 5 FFBDLO CCOc1cccc(NC[C@@]2([NH+]3CCOCC3)CCSC2)c1[N+](=O)[O-] ZINC000302216044 258095727 /nfs/dbraw/zinc/09/57/27/258095727.db2.gz JFCWBCXEXAGLBA-KRWDZBQOSA-N 1 2 367.471 2.613 20 5 FFBDLO COc1cccc(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC000302240968 258098028 /nfs/dbraw/zinc/09/80/28/258098028.db2.gz NOQJFKMZKMVSIK-INIZCTEOSA-N 1 2 357.410 2.916 20 5 FFBDLO COc1cccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC000302240968 258098030 /nfs/dbraw/zinc/09/80/30/258098030.db2.gz NOQJFKMZKMVSIK-INIZCTEOSA-N 1 2 357.410 2.916 20 5 FFBDLO CC1(C)C[NH+]=C(N2CCN(c3ncc([N+](=O)[O-])cc3Cl)CC2)S1 ZINC000301563471 258055895 /nfs/dbraw/zinc/05/58/95/258055895.db2.gz LBGBOOJKWDCWAE-UHFFFAOYSA-N 1 2 355.851 2.647 20 5 FFBDLO O=C(NC1CC1)c1ccc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c([N+](=O)[O-])c1 ZINC000301616618 258058821 /nfs/dbraw/zinc/05/88/21/258058821.db2.gz AHIZOTLSMOWJPE-MRXNPFEDSA-N 1 2 368.393 2.540 20 5 FFBDLO Cc1cc(NC[C@@H](O)c2ccncc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301784976 258067575 /nfs/dbraw/zinc/06/75/75/258067575.db2.gz LGIVURAIKDMLLJ-MRXNPFEDSA-N 1 2 351.366 2.901 20 5 FFBDLO COC(=O)[C@]1(C)CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000301838914 258070209 /nfs/dbraw/zinc/07/02/09/258070209.db2.gz XBKOSKFCOYWZFI-GOSISDBHSA-N 1 2 356.382 2.750 20 5 FFBDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C2 ZINC000332617545 258237774 /nfs/dbraw/zinc/23/77/74/258237774.db2.gz HDVNTWVFQZNVDM-NSHDSACASA-N 1 2 360.389 2.973 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CCc2cccs2)CC1 ZINC000065713628 506348641 /nfs/dbraw/zinc/34/86/41/506348641.db2.gz AMHLEYJOECWIMR-UHFFFAOYSA-N 1 2 351.453 2.718 20 5 FFBDLO CN(C(=O)C[NH+]1CCC(F)(c2cccnc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000375334446 512273015 /nfs/dbraw/zinc/27/30/15/512273015.db2.gz CGHUEXDLILKIEM-UHFFFAOYSA-N 1 2 372.400 2.913 20 5 FFBDLO Cc1[nH]c2ccc(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)cc2[nH+]1 ZINC000054518078 506572518 /nfs/dbraw/zinc/57/25/18/506572518.db2.gz BMYHUPCEVYYALX-UHFFFAOYSA-N 1 2 367.365 2.538 20 5 FFBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000054647633 506595191 /nfs/dbraw/zinc/59/51/91/506595191.db2.gz JTHXPLFFFLNPFS-UHFFFAOYSA-N 1 2 369.425 2.501 20 5 FFBDLO O=[N+]([O-])c1cnccc1N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000066810911 506649983 /nfs/dbraw/zinc/64/99/83/506649983.db2.gz PKPMEVPNZBWBQF-UHFFFAOYSA-N 1 2 372.816 2.613 20 5 FFBDLO NC(=O)c1ccc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000015129128 507021889 /nfs/dbraw/zinc/02/18/89/507021889.db2.gz OMSKMJJMGJIZSZ-UHFFFAOYSA-N 1 2 374.828 2.669 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000016443134 507087714 /nfs/dbraw/zinc/08/77/14/507087714.db2.gz MBDSMZAMHGWXRU-UHFFFAOYSA-N 1 2 355.394 2.990 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000016443134 507087720 /nfs/dbraw/zinc/08/77/20/507087720.db2.gz MBDSMZAMHGWXRU-UHFFFAOYSA-N 1 2 355.394 2.990 20 5 FFBDLO COc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000018232324 507147185 /nfs/dbraw/zinc/14/71/85/507147185.db2.gz YNSXWZRZWDCXON-QGZVFWFLSA-N 1 2 355.394 2.732 20 5 FFBDLO COc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000018232324 507147195 /nfs/dbraw/zinc/14/71/95/507147195.db2.gz YNSXWZRZWDCXON-QGZVFWFLSA-N 1 2 355.394 2.732 20 5 FFBDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046598919 507157003 /nfs/dbraw/zinc/15/70/03/507157003.db2.gz NPNWKUYPTAKZGC-CYBMUJFWSA-N 1 2 362.430 2.574 20 5 FFBDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046598919 507157010 /nfs/dbraw/zinc/15/70/10/507157010.db2.gz NPNWKUYPTAKZGC-CYBMUJFWSA-N 1 2 362.430 2.574 20 5 FFBDLO Cc1cccc(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)c1[N+](=O)[O-] ZINC000057273962 507225258 /nfs/dbraw/zinc/22/52/58/507225258.db2.gz GKIYLTVIVQYJBI-UHFFFAOYSA-N 1 2 368.437 2.903 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375440748 512328864 /nfs/dbraw/zinc/32/88/64/512328864.db2.gz XTGNXEFAVXSHMN-AAEUAGOBSA-N 1 2 371.397 2.672 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375440748 512328871 /nfs/dbraw/zinc/32/88/71/512328871.db2.gz XTGNXEFAVXSHMN-AAEUAGOBSA-N 1 2 371.397 2.672 20 5 FFBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000367086361 512331960 /nfs/dbraw/zinc/33/19/60/512331960.db2.gz TZONRJWBFXMXEQ-VQIMIIECSA-N 1 2 368.437 2.732 20 5 FFBDLO C[C@H]1CCCN(c2ccc(C(=O)NCCCn3cc[nH+]c3)cc2[N+](=O)[O-])C1 ZINC000023238588 507338727 /nfs/dbraw/zinc/33/87/27/507338727.db2.gz FHHMOAAOZRUZSI-HNNXBMFYSA-N 1 2 371.441 2.848 20 5 FFBDLO Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)[NH+]2CCOCC2)cc1 ZINC000023973577 507381027 /nfs/dbraw/zinc/38/10/27/507381027.db2.gz HOXZMWPNXCNJPC-LJQANCHMSA-N 1 2 369.421 2.707 20 5 FFBDLO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047743418 507387255 /nfs/dbraw/zinc/38/72/55/507387255.db2.gz VYOQGKKHSVOVQK-GPMSIDNRSA-N 1 2 374.485 2.800 20 5 FFBDLO COc1ccccc1CNC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348882 507581008 /nfs/dbraw/zinc/58/10/08/507581008.db2.gz YYCJMVYYFKHZCS-CQSZACIVSA-N 1 2 357.410 2.740 20 5 FFBDLO COc1ccccc1CNC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348882 507581012 /nfs/dbraw/zinc/58/10/12/507581012.db2.gz YYCJMVYYFKHZCS-CQSZACIVSA-N 1 2 357.410 2.740 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](Cc2ccncc2)CC1 ZINC000028693214 507736694 /nfs/dbraw/zinc/73/66/94/507736694.db2.gz NYWHROSVQQKYKS-UHFFFAOYSA-N 1 2 360.801 2.601 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000029086447 507757552 /nfs/dbraw/zinc/75/75/52/507757552.db2.gz VUVWKDKMTJBJRA-SFHVURJKSA-N 1 2 368.368 2.916 20 5 FFBDLO CC[N@H+](CCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000029955597 507797418 /nfs/dbraw/zinc/79/74/18/507797418.db2.gz PYHQTPSSNSZQQB-UHFFFAOYSA-N 1 2 371.393 2.970 20 5 FFBDLO CC[N@@H+](CCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000029955597 507797419 /nfs/dbraw/zinc/79/74/19/507797419.db2.gz PYHQTPSSNSZQQB-UHFFFAOYSA-N 1 2 371.393 2.970 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[NH+]2C[C@H](C)S[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000072768753 507851752 /nfs/dbraw/zinc/85/17/52/507851752.db2.gz YLJUUZAXOKVMSM-SRVKXCTJSA-N 1 2 353.444 2.756 20 5 FFBDLO NC(=O)c1ccc(NCc2ccc(Cn3cc[nH+]c3)cc2)c([N+](=O)[O-])c1 ZINC000078269122 507853225 /nfs/dbraw/zinc/85/32/25/507853225.db2.gz NOIMWUXTPMFUBI-UHFFFAOYSA-N 1 2 351.366 2.551 20 5 FFBDLO CN(CC(=O)Nc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1[N+](=O)[O-] ZINC000079450677 507963502 /nfs/dbraw/zinc/96/35/02/507963502.db2.gz CCEHVGYICOLPKY-UHFFFAOYSA-N 1 2 351.366 2.855 20 5 FFBDLO CCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000109805096 507988495 /nfs/dbraw/zinc/98/84/95/507988495.db2.gz NJWHGPMGJAEUNF-JSGCOSHPSA-N 1 2 373.413 2.696 20 5 FFBDLO CCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000109805096 507988497 /nfs/dbraw/zinc/98/84/97/507988497.db2.gz NJWHGPMGJAEUNF-JSGCOSHPSA-N 1 2 373.413 2.696 20 5 FFBDLO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000074313968 508010198 /nfs/dbraw/zinc/01/01/98/508010198.db2.gz MXQUCLVEBRXGPO-MAUKXSAKSA-N 1 2 355.394 2.650 20 5 FFBDLO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000074313968 508010201 /nfs/dbraw/zinc/01/02/01/508010201.db2.gz MXQUCLVEBRXGPO-MAUKXSAKSA-N 1 2 355.394 2.650 20 5 FFBDLO CC(=O)N(C)C1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000092538295 508080328 /nfs/dbraw/zinc/08/03/28/508080328.db2.gz WETIKGDXDNTQBA-UHFFFAOYSA-N 1 2 370.247 2.800 20 5 FFBDLO Cc1ccc(C[NH+]2CCN(C(=O)c3cccc(O)c3)CC2)cc1[N+](=O)[O-] ZINC000092937647 508108942 /nfs/dbraw/zinc/10/89/42/508108942.db2.gz NTGFJSDBVQWUNK-UHFFFAOYSA-N 1 2 355.394 2.567 20 5 FFBDLO Cc1cc(NC[C@@H](O)COCC2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000112078294 508149551 /nfs/dbraw/zinc/14/95/51/508149551.db2.gz CSJZUIHCSRMUAB-MRXNPFEDSA-N 1 2 358.398 2.560 20 5 FFBDLO C[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000081800468 508212201 /nfs/dbraw/zinc/21/22/01/508212201.db2.gz KXOOTPKNXYWBSK-SNVBAGLBSA-N 1 2 356.304 2.876 20 5 FFBDLO CN(Cc1ccccc1F)C(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607759 508378740 /nfs/dbraw/zinc/37/87/40/508378740.db2.gz ODVBXFIDZDBGOC-UHFFFAOYSA-N 1 2 357.385 2.751 20 5 FFBDLO CN(Cc1ccccc1F)C(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607759 508378744 /nfs/dbraw/zinc/37/87/44/508378744.db2.gz ODVBXFIDZDBGOC-UHFFFAOYSA-N 1 2 357.385 2.751 20 5 FFBDLO C[C@@H](C(=O)N1CCc2ccccc21)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606889 508379143 /nfs/dbraw/zinc/37/91/43/508379143.db2.gz VBMHPVHCWUWZGR-AWEZNQCLSA-N 1 2 351.406 2.931 20 5 FFBDLO C[C@@H](C(=O)N1CCc2ccccc21)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606889 508379145 /nfs/dbraw/zinc/37/91/45/508379145.db2.gz VBMHPVHCWUWZGR-AWEZNQCLSA-N 1 2 351.406 2.931 20 5 FFBDLO O=C(C[N@@H+]1CCc2ccc(F)cc2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000133836565 508456754 /nfs/dbraw/zinc/45/67/54/508456754.db2.gz WJBPURJMPKHZEJ-UHFFFAOYSA-N 1 2 355.369 2.681 20 5 FFBDLO O=C(C[N@H+]1CCc2ccc(F)cc2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000133836565 508456757 /nfs/dbraw/zinc/45/67/57/508456757.db2.gz WJBPURJMPKHZEJ-UHFFFAOYSA-N 1 2 355.369 2.681 20 5 FFBDLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC000122323618 508517276 /nfs/dbraw/zinc/51/72/76/508517276.db2.gz FCVWQXXXDFTQAZ-UHFFFAOYSA-N 1 2 366.377 2.518 20 5 FFBDLO O=C(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)NCc1ccc(Cl)cc1 ZINC000153070607 508544505 /nfs/dbraw/zinc/54/45/05/508544505.db2.gz DKHLDACKXSARQD-UHFFFAOYSA-N 1 2 359.813 2.923 20 5 FFBDLO O=C(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)NCc1ccc(Cl)cc1 ZINC000153070607 508544507 /nfs/dbraw/zinc/54/45/07/508544507.db2.gz DKHLDACKXSARQD-UHFFFAOYSA-N 1 2 359.813 2.923 20 5 FFBDLO C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153360710 508575217 /nfs/dbraw/zinc/57/52/17/508575217.db2.gz OOPRKTUDUBXBFX-CQSZACIVSA-N 1 2 351.406 2.931 20 5 FFBDLO C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153360710 508575221 /nfs/dbraw/zinc/57/52/21/508575221.db2.gz OOPRKTUDUBXBFX-CQSZACIVSA-N 1 2 351.406 2.931 20 5 FFBDLO C[C@H]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000123161775 508645718 /nfs/dbraw/zinc/64/57/18/508645718.db2.gz RYIJYYZOLDCKAB-BBRMVZONSA-N 1 2 360.439 2.993 20 5 FFBDLO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000123276181 508661527 /nfs/dbraw/zinc/66/15/27/508661527.db2.gz CQZAWFOUGOPOIW-MEDUHNTESA-N 1 2 373.369 2.731 20 5 FFBDLO Cc1nn(CCC(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)c(C)c1[N+](=O)[O-] ZINC000118643458 508661714 /nfs/dbraw/zinc/66/17/14/508661714.db2.gz VHNSPNFRQXXFPM-UHFFFAOYSA-N 1 2 354.370 2.827 20 5 FFBDLO Cc1ccc(C[NH+](C)C)cc1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000154056705 508707592 /nfs/dbraw/zinc/70/75/92/508707592.db2.gz VBDNPYKSIXPFHO-UHFFFAOYSA-N 1 2 367.402 2.905 20 5 FFBDLO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000129829171 508771169 /nfs/dbraw/zinc/77/11/69/508771169.db2.gz ICMFPCJYQBOMCW-UHFFFAOYSA-N 1 2 373.384 2.834 20 5 FFBDLO Cn1cnnc1C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000119398647 508787866 /nfs/dbraw/zinc/78/78/66/508787866.db2.gz MLRGGPMAVGNDPJ-UHFFFAOYSA-N 1 2 357.345 2.945 20 5 FFBDLO O=[N+]([O-])c1ccccc1C[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000124467242 508836887 /nfs/dbraw/zinc/83/68/87/508836887.db2.gz YNXYSJKKDYFFSW-UHFFFAOYSA-N 1 2 355.423 2.922 20 5 FFBDLO CN(CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)c1ccccc1 ZINC000131087718 508885178 /nfs/dbraw/zinc/88/51/78/508885178.db2.gz KRZMCGKQRLAFOX-UHFFFAOYSA-N 1 2 374.466 2.551 20 5 FFBDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1F ZINC000131121419 508889830 /nfs/dbraw/zinc/88/98/30/508889830.db2.gz MMGAEELIOPHAQT-UHFFFAOYSA-N 1 2 373.384 2.843 20 5 FFBDLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000154954896 508891626 /nfs/dbraw/zinc/89/16/26/508891626.db2.gz TUMRWMHXVRTLQD-UHFFFAOYSA-N 1 2 367.203 2.716 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1CN1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000120437751 508996698 /nfs/dbraw/zinc/99/66/98/508996698.db2.gz REMYSQZFXPESNP-HNNXBMFYSA-N 1 2 356.426 2.877 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@@]3(CO)CCc4ccccc43)n2)cc1 ZINC000132375846 509022675 /nfs/dbraw/zinc/02/26/75/509022675.db2.gz DOOMXKOPLKWICD-LJQANCHMSA-N 1 2 366.377 2.568 20 5 FFBDLO Cc1sc(C(=O)N[C@@H](C)C2([NH+]3CCOCC3)CCCC2)cc1[N+](=O)[O-] ZINC000175925068 509218256 /nfs/dbraw/zinc/21/82/56/509218256.db2.gz VPSHZIQCIMLLNN-ZDUSSCGKSA-N 1 2 367.471 2.728 20 5 FFBDLO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000162447381 509227619 /nfs/dbraw/zinc/22/76/19/509227619.db2.gz GUHNDTHRSXYDRC-NSHDSACASA-N 1 2 357.204 2.742 20 5 FFBDLO COC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000162447381 509227622 /nfs/dbraw/zinc/22/76/22/509227622.db2.gz GUHNDTHRSXYDRC-NSHDSACASA-N 1 2 357.204 2.742 20 5 FFBDLO Cc1ccc(NC(=O)N2CC[NH+](Cc3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000162611804 509264696 /nfs/dbraw/zinc/26/46/96/509264696.db2.gz FNFMYKFNTUUXIY-UHFFFAOYSA-N 1 2 355.398 2.648 20 5 FFBDLO Cc1nc2n(n1)C[C@@H](Nc1cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n1)CC2 ZINC000264094520 509327900 /nfs/dbraw/zinc/32/79/00/509327900.db2.gz OGGURRLUVJIBGQ-AWEZNQCLSA-N 1 2 365.397 2.687 20 5 FFBDLO COCC1=CC[N@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC1 ZINC000185832587 509377683 /nfs/dbraw/zinc/37/76/83/509377683.db2.gz OJZUFEIWYQWZFO-UHFFFAOYSA-N 1 2 358.341 2.983 20 5 FFBDLO COCC1=CC[N@@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC1 ZINC000185832587 509377686 /nfs/dbraw/zinc/37/76/86/509377686.db2.gz OJZUFEIWYQWZFO-UHFFFAOYSA-N 1 2 358.341 2.983 20 5 FFBDLO C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000226688644 509402690 /nfs/dbraw/zinc/40/26/90/509402690.db2.gz PTXOLFCSOBFJIT-SWLSCSKDSA-N 1 2 373.388 2.642 20 5 FFBDLO C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000226688644 509402694 /nfs/dbraw/zinc/40/26/94/509402694.db2.gz PTXOLFCSOBFJIT-SWLSCSKDSA-N 1 2 373.388 2.642 20 5 FFBDLO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000227697634 509412503 /nfs/dbraw/zinc/41/25/03/509412503.db2.gz QTQZVJLAKDUDBI-BBWFWOEESA-N 1 2 374.485 2.610 20 5 FFBDLO O=[N+]([O-])c1cccc(C[NH+]2CCN(c3nnc(C(F)(F)F)s3)CC2)c1 ZINC000185954094 509445365 /nfs/dbraw/zinc/44/53/65/509445365.db2.gz WDXHHZMUEFONLJ-UHFFFAOYSA-N 1 2 373.360 2.787 20 5 FFBDLO O=[N+]([O-])c1cnn(CC[NH+]2CCN(c3c(Cl)cccc3Cl)CC2)c1 ZINC000186027880 509487915 /nfs/dbraw/zinc/48/79/15/509487915.db2.gz MAIIODBUENEBBA-UHFFFAOYSA-N 1 2 370.240 2.920 20 5 FFBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[N@@H+](C3CCCC3)CC2)s1 ZINC000179595732 509529082 /nfs/dbraw/zinc/52/90/82/509529082.db2.gz DUPDEGJRUODITD-UHFFFAOYSA-N 1 2 373.500 2.515 20 5 FFBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[N@H+](C3CCCC3)CC2)s1 ZINC000179595732 509529087 /nfs/dbraw/zinc/52/90/87/509529087.db2.gz DUPDEGJRUODITD-UHFFFAOYSA-N 1 2 373.500 2.515 20 5 FFBDLO O=C(c1ccc2[nH+]ccn2c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173639441 509691378 /nfs/dbraw/zinc/69/13/78/509691378.db2.gz POJDQNLBJDUTGH-UHFFFAOYSA-N 1 2 366.377 2.926 20 5 FFBDLO Cc1cccc(C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)c1[N+](=O)[O-] ZINC000265139319 509884350 /nfs/dbraw/zinc/88/43/50/509884350.db2.gz BFYKEYGSAKIOKR-OAHLLOKOSA-N 1 2 354.410 2.817 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c1 ZINC000265341494 510001462 /nfs/dbraw/zinc/00/14/62/510001462.db2.gz VEHSMYNVTFQUAE-AWEZNQCLSA-N 1 2 370.409 2.517 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000177407344 510041458 /nfs/dbraw/zinc/04/14/58/510041458.db2.gz NSVVTNXESPKRQT-QGZVFWFLSA-N 1 2 363.801 2.747 20 5 FFBDLO Cc1cnc(C(C)(C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000183951985 510055045 /nfs/dbraw/zinc/05/50/45/510055045.db2.gz BGFDHDHWKIVLJU-UHFFFAOYSA-N 1 2 369.468 2.658 20 5 FFBDLO COC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000171315643 510077130 /nfs/dbraw/zinc/07/71/30/510077130.db2.gz XVZNWFBRRMIKPI-MRXNPFEDSA-N 1 2 366.377 2.898 20 5 FFBDLO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000193840190 510094848 /nfs/dbraw/zinc/09/48/48/510094848.db2.gz QMLIESQQLLHCPT-MRXNPFEDSA-N 1 2 367.833 2.508 20 5 FFBDLO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000193840190 510094853 /nfs/dbraw/zinc/09/48/53/510094853.db2.gz QMLIESQQLLHCPT-MRXNPFEDSA-N 1 2 367.833 2.508 20 5 FFBDLO COc1cc(C[N@@H+]2CCCN(CC(F)(F)F)CC2)c([N+](=O)[O-])cc1F ZINC000184243849 510213421 /nfs/dbraw/zinc/21/34/21/510213421.db2.gz WPVCXMXJQRWKKD-UHFFFAOYSA-N 1 2 365.327 2.813 20 5 FFBDLO COc1cc(C[N@H+]2CCCN(CC(F)(F)F)CC2)c([N+](=O)[O-])cc1F ZINC000184243849 510213424 /nfs/dbraw/zinc/21/34/24/510213424.db2.gz WPVCXMXJQRWKKD-UHFFFAOYSA-N 1 2 365.327 2.813 20 5 FFBDLO NC(=O)c1ccc(C[N@@H+]2CCc3[nH]c4ccccc4c3C2)c([N+](=O)[O-])c1 ZINC000171616847 510253246 /nfs/dbraw/zinc/25/32/46/510253246.db2.gz XYYGOXPJSQASLW-UHFFFAOYSA-N 1 2 350.378 2.733 20 5 FFBDLO NC(=O)c1ccc(C[N@H+]2CCc3[nH]c4ccccc4c3C2)c([N+](=O)[O-])c1 ZINC000171616847 510253257 /nfs/dbraw/zinc/25/32/57/510253257.db2.gz XYYGOXPJSQASLW-UHFFFAOYSA-N 1 2 350.378 2.733 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000194315031 510308309 /nfs/dbraw/zinc/30/83/09/510308309.db2.gz AFQOXXGSIQFPHK-QGZVFWFLSA-N 1 2 355.394 2.667 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000194315031 510308318 /nfs/dbraw/zinc/30/83/18/510308318.db2.gz AFQOXXGSIQFPHK-QGZVFWFLSA-N 1 2 355.394 2.667 20 5 FFBDLO CC[C@H]([NH2+]Cc1csc(CC(=O)N(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000181547429 510467032 /nfs/dbraw/zinc/46/70/32/510467032.db2.gz KLCFUZKIDSFRDY-HNNXBMFYSA-N 1 2 362.455 2.923 20 5 FFBDLO CC1CCN(c2ccc(CNC(=O)c3cccc([N+](=O)[O-])c3N)c[nH+]2)CC1 ZINC000178168200 510469671 /nfs/dbraw/zinc/46/96/71/510469671.db2.gz ZRFOQGQQSZGDCK-UHFFFAOYSA-N 1 2 369.425 2.738 20 5 FFBDLO CCc1nc([C@@H](C)[NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cs1 ZINC000184709099 510475171 /nfs/dbraw/zinc/47/51/71/510475171.db2.gz JWUJGJOMDKABKG-LLVKDONJSA-N 1 2 360.439 2.854 20 5 FFBDLO COCCOC1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000270192323 510710727 /nfs/dbraw/zinc/71/07/27/510710727.db2.gz IGHXYJXSKJRWKH-UHFFFAOYSA-N 1 2 372.425 2.992 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(c2ccncc2)CC1 ZINC000191639558 510766361 /nfs/dbraw/zinc/76/63/61/510766361.db2.gz IHRUUINAOBUVER-UHFFFAOYSA-N 1 2 370.409 2.817 20 5 FFBDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188582356 510834211 /nfs/dbraw/zinc/83/42/11/510834211.db2.gz AZQFFIUWHDRZTR-UHFFFAOYSA-N 1 2 366.377 2.543 20 5 FFBDLO CC(C)c1nnc(NC(=O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000285441315 510907328 /nfs/dbraw/zinc/90/73/28/510907328.db2.gz XOFZKEOUVBPJTO-UHFFFAOYSA-N 1 2 363.443 2.683 20 5 FFBDLO CC(C)c1nnc(NC(=O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000285441315 510907334 /nfs/dbraw/zinc/90/73/34/510907334.db2.gz XOFZKEOUVBPJTO-UHFFFAOYSA-N 1 2 363.443 2.683 20 5 FFBDLO COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1c[nH+]ccc1OC ZINC000271017520 511058115 /nfs/dbraw/zinc/05/81/15/511058115.db2.gz JTKRMJISAZQKDJ-UHFFFAOYSA-N 1 2 363.395 2.989 20 5 FFBDLO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCCCCNc1cccc[nH+]1 ZINC000294520536 511091663 /nfs/dbraw/zinc/09/16/63/511091663.db2.gz ICZMAMWZKKKGEC-UHFFFAOYSA-N 1 2 370.409 2.961 20 5 FFBDLO Cn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3cn4c([nH+]3)CCCC4)c2)n1 ZINC000362273950 511159454 /nfs/dbraw/zinc/15/94/54/511159454.db2.gz UVXHPHWJOMFSMV-UHFFFAOYSA-N 1 2 366.381 2.780 20 5 FFBDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000362814715 511244564 /nfs/dbraw/zinc/24/45/64/511244564.db2.gz ORYDBGIRZHTYEW-KRWDZBQOSA-N 1 2 358.398 2.840 20 5 FFBDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000362814715 511244569 /nfs/dbraw/zinc/24/45/69/511244569.db2.gz ORYDBGIRZHTYEW-KRWDZBQOSA-N 1 2 358.398 2.840 20 5 FFBDLO CN(C)C(=O)C1([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCCCC1 ZINC000295052372 511264591 /nfs/dbraw/zinc/26/45/91/511264591.db2.gz BLXSCTXZPZGTJP-UHFFFAOYSA-N 1 2 373.413 2.526 20 5 FFBDLO CCOc1cc(N2CC[NH+](Cc3cnn(CC)c3)CC2)ccc1[N+](=O)[O-] ZINC000279929626 511270673 /nfs/dbraw/zinc/27/06/73/511270673.db2.gz XYSTUHJXXMSKCE-UHFFFAOYSA-N 1 2 359.430 2.532 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c1 ZINC000283597738 511429092 /nfs/dbraw/zinc/42/90/92/511429092.db2.gz XYNXHNCSTGBAKB-UHFFFAOYSA-N 1 2 362.411 2.690 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c1 ZINC000283597738 511429095 /nfs/dbraw/zinc/42/90/95/511429095.db2.gz XYNXHNCSTGBAKB-UHFFFAOYSA-N 1 2 362.411 2.690 20 5 FFBDLO Cc1cc(OCC(=O)NCc2ccc(N3CCCC3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000280651317 511550568 /nfs/dbraw/zinc/55/05/68/511550568.db2.gz WHLGHPOSWOZYKU-UHFFFAOYSA-N 1 2 370.409 2.594 20 5 FFBDLO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365596558 511550744 /nfs/dbraw/zinc/55/07/44/511550744.db2.gz YOHNBXNWZUMWSY-MRXNPFEDSA-N 1 2 368.393 2.858 20 5 FFBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000280879554 511639120 /nfs/dbraw/zinc/63/91/20/511639120.db2.gz DWFBHXIQPDGSEM-HNNXBMFYSA-N 1 2 364.427 2.727 20 5 FFBDLO CC(C)(NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1[N+](=O)[O-] ZINC000292597459 511655903 /nfs/dbraw/zinc/65/59/03/511655903.db2.gz MUXGPOZYDBXWHV-CQSZACIVSA-N 1 2 369.425 2.803 20 5 FFBDLO COC(=O)[C@H](c1ccccc1C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365824148 511670364 /nfs/dbraw/zinc/67/03/64/511670364.db2.gz YOAQXNMROWTQCG-KRWDZBQOSA-N 1 2 358.398 2.651 20 5 FFBDLO CCn1ccnc1[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000280976456 511674751 /nfs/dbraw/zinc/67/47/51/511674751.db2.gz KXFDZUQITOYLSW-NVXWUHKLSA-N 1 2 374.441 2.778 20 5 FFBDLO CCn1ccnc1[C@H]1CCCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000280976456 511674755 /nfs/dbraw/zinc/67/47/55/511674755.db2.gz KXFDZUQITOYLSW-NVXWUHKLSA-N 1 2 374.441 2.778 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000281630398 511914062 /nfs/dbraw/zinc/91/40/62/511914062.db2.gz QLCRLGUJTTUZNP-WBVHZDCISA-N 1 2 372.425 2.978 20 5 FFBDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCCc1ccccc1[N+](=O)[O-])C2 ZINC000364069610 511942037 /nfs/dbraw/zinc/94/20/37/511942037.db2.gz JLNSLQUTJRUYQP-AWEZNQCLSA-N 1 2 356.426 2.905 20 5 FFBDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCCc1ccccc1[N+](=O)[O-])CC2 ZINC000364069610 511942044 /nfs/dbraw/zinc/94/20/44/511942044.db2.gz JLNSLQUTJRUYQP-AWEZNQCLSA-N 1 2 356.426 2.905 20 5 FFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN(C)[C@H](c2nc(C3CC3)no2)C1 ZINC000284997481 511962091 /nfs/dbraw/zinc/96/20/91/511962091.db2.gz TWNZYTTWMHTWRQ-LRDDRELGSA-N 1 2 357.414 2.905 20 5 FFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN(C)[C@H](c2nc(C3CC3)no2)C1 ZINC000284997481 511962096 /nfs/dbraw/zinc/96/20/96/511962096.db2.gz TWNZYTTWMHTWRQ-LRDDRELGSA-N 1 2 357.414 2.905 20 5 FFBDLO C[N@@H+]1CC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000297089825 512016037 /nfs/dbraw/zinc/01/60/37/512016037.db2.gz KMFIMGJYAIGTGR-GOEBONIOSA-N 1 2 355.385 2.662 20 5 FFBDLO C[N@H+]1CC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000297089825 512016040 /nfs/dbraw/zinc/01/60/40/512016040.db2.gz KMFIMGJYAIGTGR-GOEBONIOSA-N 1 2 355.385 2.662 20 5 FFBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CCS(=O)(=O)Cc1ccccc1 ZINC000285174921 512027160 /nfs/dbraw/zinc/02/71/60/512027160.db2.gz BILCXBQTOSKIKP-UHFFFAOYSA-N 1 2 362.451 2.684 20 5 FFBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CCS(=O)(=O)Cc1ccccc1 ZINC000285174921 512027163 /nfs/dbraw/zinc/02/71/63/512027163.db2.gz BILCXBQTOSKIKP-UHFFFAOYSA-N 1 2 362.451 2.684 20 5 FFBDLO Cc1nc(N2CC[NH+]([C@H](C)c3ccc(F)cc3F)CC2)ncc1[N+](=O)[O-] ZINC000297192775 512056353 /nfs/dbraw/zinc/05/63/53/512056353.db2.gz QUTHCIDDBLRCEK-GFCCVEGCSA-N 1 2 363.368 2.855 20 5 FFBDLO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000366531921 512074855 /nfs/dbraw/zinc/07/48/55/512074855.db2.gz BJNLLFVSPKKZEX-IQIBNGDESA-N 1 2 352.456 2.897 20 5 FFBDLO CS(=O)(=O)CC[C@H]1CCCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000366531921 512074859 /nfs/dbraw/zinc/07/48/59/512074859.db2.gz BJNLLFVSPKKZEX-IQIBNGDESA-N 1 2 352.456 2.897 20 5 FFBDLO Cc1c(NC(=O)CC[N@@H+]2CCOC[C@@H]2c2ccco2)cccc1[N+](=O)[O-] ZINC000375786497 512506379 /nfs/dbraw/zinc/50/63/79/512506379.db2.gz CVHZVKKROYVALK-MRXNPFEDSA-N 1 2 359.382 2.898 20 5 FFBDLO Cc1c(NC(=O)CC[N@H+]2CCOC[C@@H]2c2ccco2)cccc1[N+](=O)[O-] ZINC000375786497 512506384 /nfs/dbraw/zinc/50/63/84/512506384.db2.gz CVHZVKKROYVALK-MRXNPFEDSA-N 1 2 359.382 2.898 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000373934809 512580614 /nfs/dbraw/zinc/58/06/14/512580614.db2.gz BHQJDDASLODJEX-ZIAGYGMSSA-N 1 2 355.398 2.591 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000373934809 512580616 /nfs/dbraw/zinc/58/06/16/512580616.db2.gz BHQJDDASLODJEX-ZIAGYGMSSA-N 1 2 355.398 2.591 20 5 FFBDLO Cc1nnc([C@H]2CCCC[N@@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000411399936 512617486 /nfs/dbraw/zinc/61/74/86/512617486.db2.gz SHHJFFBDKUNVSA-OAHLLOKOSA-N 1 2 358.402 2.577 20 5 FFBDLO Cc1nnc([C@H]2CCCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000411399936 512617491 /nfs/dbraw/zinc/61/74/91/512617491.db2.gz SHHJFFBDKUNVSA-OAHLLOKOSA-N 1 2 358.402 2.577 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000370057173 512745678 /nfs/dbraw/zinc/74/56/78/512745678.db2.gz VFTVRWCABPGLFK-UONOGXRCSA-N 1 2 371.224 2.725 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000370057173 512745680 /nfs/dbraw/zinc/74/56/80/512745680.db2.gz VFTVRWCABPGLFK-UONOGXRCSA-N 1 2 371.224 2.725 20 5 FFBDLO O=C(C[N@H+]1CCC[C@@](CO)(c2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000374518383 512868902 /nfs/dbraw/zinc/86/89/02/512868902.db2.gz HCCALOKADUZMSD-HXUWFJFHSA-N 1 2 369.421 2.559 20 5 FFBDLO O=C(C[N@@H+]1CCC[C@@](CO)(c2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000374518383 512868907 /nfs/dbraw/zinc/86/89/07/512868907.db2.gz HCCALOKADUZMSD-HXUWFJFHSA-N 1 2 369.421 2.559 20 5 FFBDLO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000398049516 512953936 /nfs/dbraw/zinc/95/39/36/512953936.db2.gz CRVUMRCUPZTSFS-PBHICJAKSA-N 1 2 369.421 2.941 20 5 FFBDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000398049516 512953942 /nfs/dbraw/zinc/95/39/42/512953942.db2.gz CRVUMRCUPZTSFS-PBHICJAKSA-N 1 2 369.421 2.941 20 5 FFBDLO Cc1cn2c([nH+]1)CN(C(=O)c1csc(-c3ccc([N+](=O)[O-])cc3)n1)CC2 ZINC000374692947 512958932 /nfs/dbraw/zinc/95/89/32/512958932.db2.gz JENKEPJCJFWSBQ-UHFFFAOYSA-N 1 2 369.406 2.879 20 5 FFBDLO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000368613191 513026351 /nfs/dbraw/zinc/02/63/51/513026351.db2.gz JDAUDIBSTXJAQX-HNNXBMFYSA-N 1 2 355.394 2.647 20 5 FFBDLO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000368613191 513026354 /nfs/dbraw/zinc/02/63/54/513026354.db2.gz JDAUDIBSTXJAQX-HNNXBMFYSA-N 1 2 355.394 2.647 20 5 FFBDLO Cn1cc(-c2ncc(C[N@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)cn2)cn1 ZINC000377036774 513095817 /nfs/dbraw/zinc/09/58/17/513095817.db2.gz CLAIKAMJOBKNSE-UHFFFAOYSA-N 1 2 364.409 2.950 20 5 FFBDLO Cn1cc(-c2ncc(C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)cn2)cn1 ZINC000377036774 513095819 /nfs/dbraw/zinc/09/58/19/513095819.db2.gz CLAIKAMJOBKNSE-UHFFFAOYSA-N 1 2 364.409 2.950 20 5 FFBDLO CO[C@](C)([C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000412620458 513192997 /nfs/dbraw/zinc/19/29/97/513192997.db2.gz VEXBBIIJIMUZIR-KZULUSFZSA-N 1 2 358.398 2.714 20 5 FFBDLO CCc1[nH+]c2cc(CNc3ncc([N+](=O)[O-])c(C)n3)ccc2n1C1CC1 ZINC000450509422 513226574 /nfs/dbraw/zinc/22/65/74/513226574.db2.gz KKJQAWPPJBZZEL-UHFFFAOYSA-N 1 2 352.398 2.974 20 5 FFBDLO Cc1c(NC(=O)C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cccc1[N+](=O)[O-] ZINC000446703407 513318990 /nfs/dbraw/zinc/31/89/90/513318990.db2.gz WONPMMSZRLSCFZ-UHFFFAOYSA-N 1 2 365.349 2.666 20 5 FFBDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)[NH+]1CCOc1ccccc1[N+](=O)[O-] ZINC000429371270 513355301 /nfs/dbraw/zinc/35/53/01/513355301.db2.gz YFXQABCBUZXQFE-HUUCEWRRSA-N 1 2 363.458 2.941 20 5 FFBDLO CC1(C)C(=O)N[C@H]1C1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413301172 513580205 /nfs/dbraw/zinc/58/02/05/513580205.db2.gz RDFNKPAXHLTIGC-INIZCTEOSA-N 1 2 354.410 2.884 20 5 FFBDLO Cc1cc(N2CCO[C@H](C(=O)C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000430521295 513674560 /nfs/dbraw/zinc/67/45/60/513674560.db2.gz UPNWKCVOIQNMMM-INIZCTEOSA-N 1 2 368.393 2.545 20 5 FFBDLO CCO[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000451544669 513823602 /nfs/dbraw/zinc/82/36/02/513823602.db2.gz QDVHSYOSKWQITH-XHDPSFHLSA-N 1 2 355.822 2.934 20 5 FFBDLO CCO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000451544669 513823614 /nfs/dbraw/zinc/82/36/14/513823614.db2.gz QDVHSYOSKWQITH-XHDPSFHLSA-N 1 2 355.822 2.934 20 5 FFBDLO CN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550817 513829013 /nfs/dbraw/zinc/82/90/13/513829013.db2.gz SCFNINBVBPIJFV-ZDUSSCGKSA-N 1 2 359.348 2.795 20 5 FFBDLO CN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550817 513829016 /nfs/dbraw/zinc/82/90/16/513829016.db2.gz SCFNINBVBPIJFV-ZDUSSCGKSA-N 1 2 359.348 2.795 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451879555 514041624 /nfs/dbraw/zinc/04/16/24/514041624.db2.gz KEXPMPGQVSGZEF-LBPRGKRZSA-N 1 2 361.364 2.919 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451879555 514041629 /nfs/dbraw/zinc/04/16/29/514041629.db2.gz KEXPMPGQVSGZEF-LBPRGKRZSA-N 1 2 361.364 2.919 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451879553 514042337 /nfs/dbraw/zinc/04/23/37/514042337.db2.gz KEXPMPGQVSGZEF-GFCCVEGCSA-N 1 2 361.364 2.919 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451879553 514042342 /nfs/dbraw/zinc/04/23/42/514042342.db2.gz KEXPMPGQVSGZEF-GFCCVEGCSA-N 1 2 361.364 2.919 20 5 FFBDLO CCc1[nH]nc(-c2nc(CCn3c(C)[nH+]c4ccccc43)no2)c1[N+](=O)[O-] ZINC000420488440 514169910 /nfs/dbraw/zinc/16/99/10/514169910.db2.gz AXVPICCVTCNUER-UHFFFAOYSA-N 1 2 367.369 2.831 20 5 FFBDLO CC(C)[C@@]1(CO)CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000452156660 514221705 /nfs/dbraw/zinc/22/17/05/514221705.db2.gz LXNAKGNCZVRUHT-IBGZPJMESA-N 1 2 372.425 2.651 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000427612393 514264140 /nfs/dbraw/zinc/26/41/40/514264140.db2.gz NCOOLPAMYOEHII-UHFFFAOYSA-N 1 2 354.366 2.692 20 5 FFBDLO O=C(Nc1c[nH+]c2n1CCCC2)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000452341913 514293185 /nfs/dbraw/zinc/29/31/85/514293185.db2.gz KRNQRJPEMBERCW-UHFFFAOYSA-N 1 2 369.425 2.983 20 5 FFBDLO Cc1cc(C)c(S(=O)(=O)Nc2cccc3c2C[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000427801516 514317474 /nfs/dbraw/zinc/31/74/74/514317474.db2.gz SOPAZTKHPJJVQI-UHFFFAOYSA-N 1 2 361.423 2.958 20 5 FFBDLO Cc1cc(C)c(S(=O)(=O)Nc2cccc3c2C[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000427801516 514317481 /nfs/dbraw/zinc/31/74/81/514317481.db2.gz SOPAZTKHPJJVQI-UHFFFAOYSA-N 1 2 361.423 2.958 20 5 FFBDLO O=C(NCCNc1cccc[nH+]1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444860765 514353373 /nfs/dbraw/zinc/35/33/73/514353373.db2.gz QPEJGBBHSCNVQF-UHFFFAOYSA-N 1 2 358.401 2.918 20 5 FFBDLO NC(=O)c1cccc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)c1[N+](=O)[O-] ZINC000439101925 514494235 /nfs/dbraw/zinc/49/42/35/514494235.db2.gz QABQGMYEPRLQGL-UHFFFAOYSA-N 1 2 374.828 2.669 20 5 FFBDLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452841428 514512438 /nfs/dbraw/zinc/51/24/38/514512438.db2.gz HDKGVEZKGOGEGX-HZPDHXFCSA-N 1 2 354.410 2.760 20 5 FFBDLO CCO[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000452856485 514521082 /nfs/dbraw/zinc/52/10/82/514521082.db2.gz JVVQYAMAZUKRDL-SUMWQHHRSA-N 1 2 358.398 2.668 20 5 FFBDLO O=[N+]([O-])c1cccc([C@@H](NCC[NH+]2CCC(O)CC2)c2ccccc2)c1 ZINC000453379607 514614987 /nfs/dbraw/zinc/61/49/87/514614987.db2.gz QUUUFMUAFFLRJH-FQEVSTJZSA-N 1 2 355.438 2.731 20 5 FFBDLO Cc1c(-c2cc(C[N@@H+]3CCc4ccc([N+](=O)[O-])cc4C3)on2)cnn1C ZINC000466817785 514790424 /nfs/dbraw/zinc/79/04/24/514790424.db2.gz VALSDBWAEXAYFF-UHFFFAOYSA-N 1 2 353.382 2.850 20 5 FFBDLO Cc1c(-c2cc(C[N@H+]3CCc4ccc([N+](=O)[O-])cc4C3)on2)cnn1C ZINC000466817785 514790433 /nfs/dbraw/zinc/79/04/33/514790433.db2.gz VALSDBWAEXAYFF-UHFFFAOYSA-N 1 2 353.382 2.850 20 5 FFBDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000489641073 514924669 /nfs/dbraw/zinc/92/46/69/514924669.db2.gz UOPWPPTZHADKRN-UHFFFAOYSA-N 1 2 365.393 2.575 20 5 FFBDLO COc1cc(C[N@H+](C)[C@H]2CCN(c3ccccc3)C2=O)ccc1[N+](=O)[O-] ZINC000490007710 515067056 /nfs/dbraw/zinc/06/70/56/515067056.db2.gz XUWNYXXSQNMBHJ-KRWDZBQOSA-N 1 2 355.394 2.841 20 5 FFBDLO COc1cc(C[N@@H+](C)[C@H]2CCN(c3ccccc3)C2=O)ccc1[N+](=O)[O-] ZINC000490007710 515067067 /nfs/dbraw/zinc/06/70/67/515067067.db2.gz XUWNYXXSQNMBHJ-KRWDZBQOSA-N 1 2 355.394 2.841 20 5 FFBDLO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)cc1OC ZINC000456382986 515143115 /nfs/dbraw/zinc/14/31/15/515143115.db2.gz NFCIGZMLDQFGQZ-ZYHUDNBSSA-N 1 2 360.370 2.634 20 5 FFBDLO O=C(N[C@H]1CC(=O)c2ccccc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000499022248 515170036 /nfs/dbraw/zinc/17/00/36/515170036.db2.gz OWOFJWANWZECJN-HNNXBMFYSA-N 1 2 362.345 2.838 20 5 FFBDLO Cn1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(C2CC2)n1 ZINC000462724126 515215491 /nfs/dbraw/zinc/21/54/91/515215491.db2.gz UJHKULQUNVBMJZ-UHFFFAOYSA-N 1 2 352.354 2.644 20 5 FFBDLO Cc1n[nH]cc1CCCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000472346087 515238299 /nfs/dbraw/zinc/23/82/99/515238299.db2.gz WQQLLVQKOOCMDD-UHFFFAOYSA-N 1 2 359.430 2.503 20 5 FFBDLO CNc1c(C(=O)N2CC[NH+](Cc3cccs3)CC2)cccc1[N+](=O)[O-] ZINC000462903866 515291186 /nfs/dbraw/zinc/29/11/86/515291186.db2.gz SNBCRZNOHPJKPO-UHFFFAOYSA-N 1 2 360.439 2.656 20 5 FFBDLO O=[N+]([O-])c1cc(F)c(CN2CCCC[C@@H]2C[NH+]2CCOCC2)c(F)c1 ZINC000509698386 515295448 /nfs/dbraw/zinc/29/54/48/515295448.db2.gz NZNKRWVNAISVQC-CYBMUJFWSA-N 1 2 355.385 2.560 20 5 FFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)c(F)c1 ZINC000509698386 515295455 /nfs/dbraw/zinc/29/54/55/515295455.db2.gz NZNKRWVNAISVQC-CYBMUJFWSA-N 1 2 355.385 2.560 20 5 FFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCCC[C@@H]2CN2CCOCC2)c(F)c1 ZINC000509698386 515295462 /nfs/dbraw/zinc/29/54/62/515295462.db2.gz NZNKRWVNAISVQC-CYBMUJFWSA-N 1 2 355.385 2.560 20 5 FFBDLO CNc1c(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cccc1[N+](=O)[O-] ZINC000462912636 515295686 /nfs/dbraw/zinc/29/56/86/515295686.db2.gz RGUQLCLNHSKPAE-UHFFFAOYSA-N 1 2 365.393 2.811 20 5 FFBDLO COc1ccc(-c2ccc(C[N@@H+]3CC(=O)NCC3(C)C)o2)c([N+](=O)[O-])c1 ZINC000504548675 515326170 /nfs/dbraw/zinc/32/61/70/515326170.db2.gz YBCYOULBRADBHC-UHFFFAOYSA-N 1 2 359.382 2.574 20 5 FFBDLO COc1ccc(-c2ccc(C[N@H+]3CC(=O)NCC3(C)C)o2)c([N+](=O)[O-])c1 ZINC000504548675 515326177 /nfs/dbraw/zinc/32/61/77/515326177.db2.gz YBCYOULBRADBHC-UHFFFAOYSA-N 1 2 359.382 2.574 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C(F)F)CC2)c([N+](=O)[O-])c1 ZINC000486123228 515344352 /nfs/dbraw/zinc/34/43/52/515344352.db2.gz RASMEUVTOLMUAK-SNVBAGLBSA-N 1 2 357.357 2.908 20 5 FFBDLO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000481724745 515440338 /nfs/dbraw/zinc/44/03/38/515440338.db2.gz NRNXKBMHWNUPED-UONOGXRCSA-N 1 2 356.806 2.791 20 5 FFBDLO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000481724745 515440354 /nfs/dbraw/zinc/44/03/54/515440354.db2.gz NRNXKBMHWNUPED-UONOGXRCSA-N 1 2 356.806 2.791 20 5 FFBDLO CCOc1cc(C[NH+]2CCN(c3ncccc3F)CC2)ccc1[N+](=O)[O-] ZINC000492721073 515557794 /nfs/dbraw/zinc/55/77/94/515557794.db2.gz JQVVYSYBKKMPKP-UHFFFAOYSA-N 1 2 360.389 2.850 20 5 FFBDLO CCOC(=O)c1noc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000459514177 515610323 /nfs/dbraw/zinc/61/03/23/515610323.db2.gz OYMWYUPVCCSTFS-ZDUSSCGKSA-N 1 2 360.370 2.534 20 5 FFBDLO CCOC(=O)c1noc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000459514177 515610334 /nfs/dbraw/zinc/61/03/34/515610334.db2.gz OYMWYUPVCCSTFS-ZDUSSCGKSA-N 1 2 360.370 2.534 20 5 FFBDLO CCOC(=O)C1(COC)CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000510792120 515669865 /nfs/dbraw/zinc/66/98/65/515669865.db2.gz PREFLCBBIVKZFL-UHFFFAOYSA-N 1 2 372.368 2.665 20 5 FFBDLO O=c1ccccn1C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000500460878 515722618 /nfs/dbraw/zinc/72/26/18/515722618.db2.gz IIIHIFMJKWBWPQ-SFHVURJKSA-N 1 2 365.389 2.993 20 5 FFBDLO O=C1C[C@H](c2ccccc2)[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1 ZINC000482699467 515773881 /nfs/dbraw/zinc/77/38/81/515773881.db2.gz NOROZTCIPFBMKX-QGZVFWFLSA-N 1 2 365.393 2.534 20 5 FFBDLO O=C1C[C@H](c2ccccc2)[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1 ZINC000482699467 515773890 /nfs/dbraw/zinc/77/38/90/515773890.db2.gz NOROZTCIPFBMKX-QGZVFWFLSA-N 1 2 365.393 2.534 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(CCO)CC1CCCCC1 ZINC000487176208 515787664 /nfs/dbraw/zinc/78/76/64/515787664.db2.gz XBYAWFNYWYHUOF-UHFFFAOYSA-N 1 2 372.425 2.795 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494274533 515791307 /nfs/dbraw/zinc/79/13/07/515791307.db2.gz QUADXUVHPQDUJQ-UHFFFAOYSA-N 1 2 357.183 2.862 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494274533 515791317 /nfs/dbraw/zinc/79/13/17/515791317.db2.gz QUADXUVHPQDUJQ-UHFFFAOYSA-N 1 2 357.183 2.862 20 5 FFBDLO COc1cc(C[NH+]2CCN([C@@H](C)c3nccs3)CC2)ccc1[N+](=O)[O-] ZINC000464596125 515886955 /nfs/dbraw/zinc/88/69/55/515886955.db2.gz BQWVJLLHOUBDJM-ZDUSSCGKSA-N 1 2 362.455 2.939 20 5 FFBDLO COCc1cc([N+](=O)[O-])ccc1NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000474140517 515901834 /nfs/dbraw/zinc/90/18/34/515901834.db2.gz IZCAHUITZGXRRO-UHFFFAOYSA-N 1 2 358.398 2.585 20 5 FFBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494720009 515938796 /nfs/dbraw/zinc/93/87/96/515938796.db2.gz GZPIUUZKYAJZOE-SNVBAGLBSA-N 1 2 371.319 2.698 20 5 FFBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000470022707 516084480 /nfs/dbraw/zinc/08/44/80/516084480.db2.gz QCAIUGCZEUBXLQ-UHFFFAOYSA-N 1 2 353.382 2.881 20 5 FFBDLO Cc1ccc(C)c(OC[C@H](O)C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000470028877 516085621 /nfs/dbraw/zinc/08/56/21/516085621.db2.gz DEPBHSJWRSEYBG-QGZVFWFLSA-N 1 2 372.421 2.715 20 5 FFBDLO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cc[nH+]cc3O)cc2[N+](=O)[O-])C1 ZINC000512008557 516114402 /nfs/dbraw/zinc/11/44/02/516114402.db2.gz LOKNOAIPVBVHQA-CHWSQXEVSA-N 1 2 370.409 2.852 20 5 FFBDLO Cc1cn2cc(NC(=O)N3CC(Oc4ccc([N+](=O)[O-])cc4)C3)ccc2[nH+]1 ZINC000470341739 516211276 /nfs/dbraw/zinc/21/12/76/516211276.db2.gz FVRPRRHSBLYVOF-UHFFFAOYSA-N 1 2 367.365 2.846 20 5 FFBDLO Cc1ccc2c(c1)CC[N@@H+](CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)C2 ZINC000483996929 516274542 /nfs/dbraw/zinc/27/45/42/516274542.db2.gz WGNIJMUOCGVLFY-UHFFFAOYSA-N 1 2 351.406 2.851 20 5 FFBDLO Cc1ccc2c(c1)CC[N@H+](CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)C2 ZINC000483996929 516274548 /nfs/dbraw/zinc/27/45/48/516274548.db2.gz WGNIJMUOCGVLFY-UHFFFAOYSA-N 1 2 351.406 2.851 20 5 FFBDLO Cc1ccc2c(c1)CC[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000484029560 516283231 /nfs/dbraw/zinc/28/32/31/516283231.db2.gz IFODRJCOKBUOLZ-UHFFFAOYSA-N 1 2 360.435 2.735 20 5 FFBDLO Cc1ccc2c(c1)CC[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000484029560 516283236 /nfs/dbraw/zinc/28/32/36/516283236.db2.gz IFODRJCOKBUOLZ-UHFFFAOYSA-N 1 2 360.435 2.735 20 5 FFBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000561340880 516531979 /nfs/dbraw/zinc/53/19/79/516531979.db2.gz BAYJZPDVVBGRJV-UHFFFAOYSA-N 1 2 358.398 2.859 20 5 FFBDLO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1c(F)cncc1F ZINC000513260737 516547591 /nfs/dbraw/zinc/54/75/91/516547591.db2.gz JYLKQMRHLZDGPX-BONVTDFDSA-N 1 2 362.336 2.724 20 5 FFBDLO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)c1c(F)cccc1F ZINC000523741372 516565892 /nfs/dbraw/zinc/56/58/92/516565892.db2.gz HRXBBVVMWLFUND-NSHDSACASA-N 1 2 355.366 2.967 20 5 FFBDLO O=C(Nc1ccccc1C[NH+]1CCOCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000518794273 516777912 /nfs/dbraw/zinc/77/79/12/516777912.db2.gz XNQZXMTWLIQQLD-UHFFFAOYSA-N 1 2 359.357 2.818 20 5 FFBDLO CC(C)[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1[nH]cc[nH+]1 ZINC000555309459 516874485 /nfs/dbraw/zinc/87/44/85/516874485.db2.gz WVDPADPDOKMMID-HNNXBMFYSA-N 1 2 354.370 2.631 20 5 FFBDLO Cc1nn(C)c(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)c1[N+](=O)[O-] ZINC000544961315 517004449 /nfs/dbraw/zinc/00/44/49/517004449.db2.gz LBBOAPCQMHYIQW-UHFFFAOYSA-N 1 2 365.353 2.599 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]Cc1cccc(CO)c1)c1ccc([N+](=O)[O-])cc1 ZINC000552048072 517050130 /nfs/dbraw/zinc/05/01/30/517050130.db2.gz GEZUUTLUGCULAS-SFHVURJKSA-N 1 2 352.394 2.700 20 5 FFBDLO Nc1c(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000514794778 517061094 /nfs/dbraw/zinc/06/10/94/517061094.db2.gz WFHOFLVTRYMYCG-JOCQHMNTSA-N 1 2 373.388 2.864 20 5 FFBDLO CCOC(=O)C1([NH2+]CCOc2cccc([N+](=O)[O-])c2)Cc2ccccc2C1 ZINC000532704442 517105872 /nfs/dbraw/zinc/10/58/72/517105872.db2.gz MLUVCDXOOSTLES-UHFFFAOYSA-N 1 2 370.405 2.664 20 5 FFBDLO CCc1ccc([C@@H]([NH2+]CC(=O)NCC2CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541570570 517117879 /nfs/dbraw/zinc/11/78/79/517117879.db2.gz VTBIQUQLLTWCCQ-IBGZPJMESA-N 1 2 357.410 2.955 20 5 FFBDLO Cc1[nH+]c2ccccc2n1CCc1noc(-c2cc([N+](=O)[O-])cn2C)n1 ZINC000562474679 517131782 /nfs/dbraw/zinc/13/17/82/517131782.db2.gz USGMUXOELGHXJC-UHFFFAOYSA-N 1 2 352.354 2.884 20 5 FFBDLO COc1ccncc1CN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000556211955 517319212 /nfs/dbraw/zinc/31/92/12/517319212.db2.gz KZSHHTLMJJSHBN-QGZVFWFLSA-N 1 2 353.382 2.611 20 5 FFBDLO CCn1cc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000533304495 517393476 /nfs/dbraw/zinc/39/34/76/517393476.db2.gz VWFUEFBBBPOBEA-LLVKDONJSA-N 1 2 365.821 2.924 20 5 FFBDLO CCn1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000533304495 517393486 /nfs/dbraw/zinc/39/34/86/517393486.db2.gz VWFUEFBBBPOBEA-LLVKDONJSA-N 1 2 365.821 2.924 20 5 FFBDLO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000533813704 517626115 /nfs/dbraw/zinc/62/61/15/517626115.db2.gz XVNKUMIOAAGIMY-UHFFFAOYSA-N 1 2 360.439 2.684 20 5 FFBDLO NC(=O)c1cccc(NCc2cccc(Cn3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC000553309770 517636931 /nfs/dbraw/zinc/63/69/31/517636931.db2.gz FLFXBDURZMQUSU-UHFFFAOYSA-N 1 2 351.366 2.551 20 5 FFBDLO Cc1[nH+]c2cc(NC(=O)C(=O)Nc3cc([N+](=O)[O-])ccc3C)ccc2n1C ZINC000527434447 517675230 /nfs/dbraw/zinc/67/52/30/517675230.db2.gz ULHRTICEUWWYNP-UHFFFAOYSA-N 1 2 367.365 2.676 20 5 FFBDLO O=C1C[C@H]([N@@H+]2CCC=C(c3ccco3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000560414880 517784369 /nfs/dbraw/zinc/78/43/69/517784369.db2.gz FNAPNEGKHIVLHL-INIZCTEOSA-N 1 2 367.361 2.609 20 5 FFBDLO O=C1C[C@H]([N@H+]2CCC=C(c3ccco3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000560414880 517784378 /nfs/dbraw/zinc/78/43/78/517784378.db2.gz FNAPNEGKHIVLHL-INIZCTEOSA-N 1 2 367.361 2.609 20 5 FFBDLO C[C@@](CO)([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(O)c1 ZINC000517057347 518002876 /nfs/dbraw/zinc/00/28/76/518002876.db2.gz OGMPYKFBGPJMPZ-IBGZPJMESA-N 1 2 369.377 2.953 20 5 FFBDLO Cn1cc([N+](=O)[O-])cc1-c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000517267584 518098078 /nfs/dbraw/zinc/09/80/78/518098078.db2.gz YRBUTGFPDUGUEP-UHFFFAOYSA-N 1 2 350.338 2.895 20 5 FFBDLO CC(C)Oc1nc(NCc2ccc(N3CCCC3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000581320331 518228470 /nfs/dbraw/zinc/22/84/70/518228470.db2.gz AMXKVDNYOPRZFH-UHFFFAOYSA-N 1 2 357.414 2.806 20 5 FFBDLO Cn1cc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c(-c2cccnc2)n1 ZINC000584501724 518370336 /nfs/dbraw/zinc/37/03/36/518370336.db2.gz QRNJEKAPLDVNLS-UHFFFAOYSA-N 1 2 365.393 2.785 20 5 FFBDLO Cn1cc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c(-c2cccnc2)n1 ZINC000584501724 518370340 /nfs/dbraw/zinc/37/03/40/518370340.db2.gz QRNJEKAPLDVNLS-UHFFFAOYSA-N 1 2 365.393 2.785 20 5 FFBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+](Cc1ccccc1)[C@]1(CO)CCOC1 ZINC000585718749 518574385 /nfs/dbraw/zinc/57/43/85/518574385.db2.gz WIZYLQRDOQVHEA-IBGZPJMESA-N 1 2 360.385 2.888 20 5 FFBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+](Cc1ccccc1)[C@]1(CO)CCOC1 ZINC000585718749 518574389 /nfs/dbraw/zinc/57/43/89/518574389.db2.gz WIZYLQRDOQVHEA-IBGZPJMESA-N 1 2 360.385 2.888 20 5 FFBDLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000587045586 518674836 /nfs/dbraw/zinc/67/48/36/518674836.db2.gz WNUATXMMMUAWOM-LLVKDONJSA-N 1 2 354.288 2.555 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCOC2(CCCC2)C1 ZINC000570911466 518838283 /nfs/dbraw/zinc/83/82/83/518838283.db2.gz RLILQHQLKFDYLU-UHFFFAOYSA-N 1 2 361.442 2.576 20 5 FFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C(=O)c2ccccn2)CC1 ZINC000579885630 518899913 /nfs/dbraw/zinc/89/99/13/518899913.db2.gz CCUYOXBMOOSUMO-DTQAZKPQSA-N 1 2 366.421 2.851 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1-c1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000589079359 518910217 /nfs/dbraw/zinc/91/02/17/518910217.db2.gz OAUHBLHZZJSUFM-UHFFFAOYSA-N 1 2 351.322 2.892 20 5 FFBDLO CCOC(=O)c1ccc(C[NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])o1 ZINC000589196712 518947312 /nfs/dbraw/zinc/94/73/12/518947312.db2.gz DYBHRNPCFGLCRY-UHFFFAOYSA-N 1 2 364.354 2.672 20 5 FFBDLO CN(C)c1ccccc1C[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000583107981 519079761 /nfs/dbraw/zinc/07/97/61/519079761.db2.gz OOXPTUYIROKKSG-UHFFFAOYSA-N 1 2 368.437 2.682 20 5 FFBDLO CN(C)c1ccccc1C[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000583107981 519079769 /nfs/dbraw/zinc/07/97/69/519079769.db2.gz OOXPTUYIROKKSG-UHFFFAOYSA-N 1 2 368.437 2.682 20 5 FFBDLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000590374911 519209005 /nfs/dbraw/zinc/20/90/05/519209005.db2.gz XDQWQALJRCGNTF-SECBINFHSA-N 1 2 354.288 2.555 20 5 FFBDLO COC(=O)[C@@H](Cc1ccc(C)cc1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000577802555 519261024 /nfs/dbraw/zinc/26/10/24/519261024.db2.gz JRTHQQZFUWADMM-GOSISDBHSA-N 1 2 358.394 2.656 20 5 FFBDLO O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590629369 519295139 /nfs/dbraw/zinc/29/51/39/519295139.db2.gz SYVVSPMTHNKJOV-OAHLLOKOSA-N 1 2 366.381 2.659 20 5 FFBDLO COc1cccc2c1C[N@@H+]([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000590759817 519354790 /nfs/dbraw/zinc/35/47/90/519354790.db2.gz QJEITTMTZDNKHW-ZDUSSCGKSA-N 1 2 355.394 2.989 20 5 FFBDLO COc1cccc2c1C[N@H+]([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000590759817 519354793 /nfs/dbraw/zinc/35/47/93/519354793.db2.gz QJEITTMTZDNKHW-ZDUSSCGKSA-N 1 2 355.394 2.989 20 5 FFBDLO COCCN(C)c1ccc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cn1 ZINC000580868483 519397614 /nfs/dbraw/zinc/39/76/14/519397614.db2.gz WIRJACYXAHPFKQ-UHFFFAOYSA-N 1 2 356.426 2.631 20 5 FFBDLO COCCN(C)c1ccc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cn1 ZINC000580868483 519397622 /nfs/dbraw/zinc/39/76/22/519397622.db2.gz WIRJACYXAHPFKQ-UHFFFAOYSA-N 1 2 356.426 2.631 20 5 FFBDLO CCn1nc(C)c(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])c1C ZINC000569186874 519420411 /nfs/dbraw/zinc/42/04/11/519420411.db2.gz WDIOISQXGSDGJM-UHFFFAOYSA-N 1 2 373.457 2.872 20 5 FFBDLO COc1ccc(Cc2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc1[N+](=O)[O-] ZINC000569304856 519477326 /nfs/dbraw/zinc/47/73/26/519477326.db2.gz SMCVHFUUDQETOT-XJKSGUPXSA-N 1 2 374.397 2.503 20 5 FFBDLO COc1ccc(Cc2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc1[N+](=O)[O-] ZINC000569304856 519477332 /nfs/dbraw/zinc/47/73/32/519477332.db2.gz SMCVHFUUDQETOT-XJKSGUPXSA-N 1 2 374.397 2.503 20 5 FFBDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)NCCc1c[nH]c3ccc([N+](=O)[O-])cc13)CC2 ZINC000599946265 519965531 /nfs/dbraw/zinc/96/55/31/519965531.db2.gz ZTTURLXSPNVNRB-ZDUSSCGKSA-N 1 2 367.409 2.502 20 5 FFBDLO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1)C1CC1 ZINC000594513912 520010118 /nfs/dbraw/zinc/01/01/18/520010118.db2.gz UUKNJLORFHAFNU-HOCLYGCPSA-N 1 2 357.414 2.675 20 5 FFBDLO COc1ccccc1C(=O)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000612576465 520031901 /nfs/dbraw/zinc/03/19/01/520031901.db2.gz GUBQJSDEMMEHLG-UHFFFAOYSA-N 1 2 369.421 2.870 20 5 FFBDLO COCCC1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000600178592 520103162 /nfs/dbraw/zinc/10/31/62/520103162.db2.gz LUJFUSLQISBHTM-UHFFFAOYSA-N 1 2 358.398 2.669 20 5 FFBDLO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000597632191 520145241 /nfs/dbraw/zinc/14/52/41/520145241.db2.gz QNUDJZSLHZCWJT-SECBINFHSA-N 1 2 365.187 2.755 20 5 FFBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000608908925 520160697 /nfs/dbraw/zinc/16/06/97/520160697.db2.gz BWWNEEXSGHWIOY-UHFFFAOYSA-N 1 2 373.394 2.539 20 5 FFBDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000597723120 520196817 /nfs/dbraw/zinc/19/68/17/520196817.db2.gz IDRHKZMFMLSVQC-USXIJHARSA-N 1 2 354.410 2.838 20 5 FFBDLO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000597723651 520198058 /nfs/dbraw/zinc/19/80/58/520198058.db2.gz MDJIZNAOWZUZBK-HUUCEWRRSA-N 1 2 354.410 2.829 20 5 FFBDLO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000597723651 520198063 /nfs/dbraw/zinc/19/80/63/520198063.db2.gz MDJIZNAOWZUZBK-HUUCEWRRSA-N 1 2 354.410 2.829 20 5 FFBDLO O=C(CN1CCC[C@H](n2cc[nH+]c2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609157618 520213731 /nfs/dbraw/zinc/21/37/31/520213731.db2.gz KOSPPYYWBTVNDB-ZDUSSCGKSA-N 1 2 363.805 2.720 20 5 FFBDLO O=C(NCc1ccc(F)c(F)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000603517819 520293721 /nfs/dbraw/zinc/29/37/21/520293721.db2.gz WBDZHYAYKODKAH-UHFFFAOYSA-N 1 2 358.304 2.989 20 5 FFBDLO C[C@@H]([NH2+][C@H](C)c1nnc2n1CCCCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000613062741 520297749 /nfs/dbraw/zinc/29/77/49/520297749.db2.gz XXSXGSUGHQTNBE-CHWSQXEVSA-N 1 2 372.429 2.591 20 5 FFBDLO C[C@](CO)([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccccc1 ZINC000609483803 520327108 /nfs/dbraw/zinc/32/71/08/520327108.db2.gz HKFPHDXEXASWLG-GOSISDBHSA-N 1 2 354.366 2.642 20 5 FFBDLO O=C(CCNc1ccccc1[N+](=O)[O-])NCc1ccc[nH+]c1N1CCCC1 ZINC000597940795 520341294 /nfs/dbraw/zinc/34/12/94/520341294.db2.gz LDRWKEKGJPWASJ-UHFFFAOYSA-N 1 2 369.425 2.708 20 5 FFBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000597942895 520342147 /nfs/dbraw/zinc/34/21/47/520342147.db2.gz FYCQUUXTOMTNOS-UHFFFAOYSA-N 1 2 370.409 2.919 20 5 FFBDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2cc([N+](=O)[O-])cn2C)C[C@@H](C)O1 ZINC000603814505 520366176 /nfs/dbraw/zinc/36/61/76/520366176.db2.gz HPDLZRPQHFQZJB-ZIAGYGMSSA-N 1 2 372.425 2.795 20 5 FFBDLO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC(n2cc[nH+]c2)C1 ZINC000609624867 520384088 /nfs/dbraw/zinc/38/40/88/520384088.db2.gz NAYROSQOZZKOEC-UHFFFAOYSA-N 1 2 355.379 2.612 20 5 FFBDLO Cc1cc(C)c(S(=O)(=O)Nc2cc[nH+]c(C)c2Cl)cc1[N+](=O)[O-] ZINC000617231364 520388324 /nfs/dbraw/zinc/38/83/24/520388324.db2.gz HVPZEOZKBHJLAN-UHFFFAOYSA-N 1 2 355.803 2.791 20 5 FFBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000604091734 520449019 /nfs/dbraw/zinc/44/90/19/520449019.db2.gz MSBXJYZQGHXPCD-UHFFFAOYSA-N 1 2 353.382 2.581 20 5 FFBDLO Cc1noc(C[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000595453630 520481323 /nfs/dbraw/zinc/48/13/23/520481323.db2.gz DSWGWESHHVMISL-WBMJQRKESA-N 1 2 364.789 2.606 20 5 FFBDLO Cc1noc(C[NH2+][C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000595453614 520482324 /nfs/dbraw/zinc/48/23/24/520482324.db2.gz DSWGWESHHVMISL-BLLLJJGKSA-N 1 2 364.789 2.606 20 5 FFBDLO COC(=O)C[C@@](C)([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccncc1 ZINC000595486011 520502400 /nfs/dbraw/zinc/50/24/00/520502400.db2.gz GFYMJWXZNKQGIZ-QGZVFWFLSA-N 1 2 365.336 2.836 20 5 FFBDLO O=C(Nc1ccc2[nH+]ccn2c1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000610026956 520511743 /nfs/dbraw/zinc/51/17/43/520511743.db2.gz SEJMNRDCYHARSX-UHFFFAOYSA-N 1 2 366.381 2.597 20 5 FFBDLO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1[nH+]ccn1C ZINC000598466013 520629763 /nfs/dbraw/zinc/62/97/63/520629763.db2.gz WBHNQFVMNOMVRK-VIFPVBQESA-N 1 2 367.203 2.511 20 5 FFBDLO CSC1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000601206814 520685899 /nfs/dbraw/zinc/68/58/99/520685899.db2.gz HDSQYQLKHTWILW-UHFFFAOYSA-N 1 2 351.472 2.759 20 5 FFBDLO CCn1nc(C)c([N+](=O)[O-])c1NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601239800 520703085 /nfs/dbraw/zinc/70/30/85/520703085.db2.gz CFPSPZNVIXXXQE-UHFFFAOYSA-N 1 2 362.459 2.680 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH+]2CC(Cc3ccsc3)C2)cc1 ZINC000598706005 520796877 /nfs/dbraw/zinc/79/68/77/520796877.db2.gz OUOPLNPTFAQXHT-UHFFFAOYSA-N 1 2 366.464 2.605 20 5 FFBDLO CCS(=O)(=O)N(Cc1c[nH+]ccc1OC)c1ccc([N+](=O)[O-])cc1C ZINC000598727680 520812765 /nfs/dbraw/zinc/81/27/65/520812765.db2.gz CGHJFGUFUFGBOE-UHFFFAOYSA-N 1 2 365.411 2.663 20 5 FFBDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000610729497 520818840 /nfs/dbraw/zinc/81/88/40/520818840.db2.gz DFPNDWNFJCBMIH-QGZVFWFLSA-N 1 2 357.414 2.721 20 5 FFBDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000610729497 520818847 /nfs/dbraw/zinc/81/88/47/520818847.db2.gz DFPNDWNFJCBMIH-QGZVFWFLSA-N 1 2 357.414 2.721 20 5 FFBDLO C[C@@H]1CN(c2ccc(Nc3c(Cl)cncc3[N+](=O)[O-])c[nH+]2)C[C@@H](C)O1 ZINC000596080895 520901669 /nfs/dbraw/zinc/90/16/69/520901669.db2.gz PAPRSINKHMFORS-GHMZBOCLSA-N 1 2 363.805 2.817 20 5 FFBDLO C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@@H]1COc2ccccc2O1 ZINC000611252269 521057444 /nfs/dbraw/zinc/05/74/44/521057444.db2.gz SNWNJTHQKPYISQ-CQSZACIVSA-N 1 2 372.377 2.638 20 5 FFBDLO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@@H]1COc2ccccc2O1 ZINC000611252269 521057448 /nfs/dbraw/zinc/05/74/48/521057448.db2.gz SNWNJTHQKPYISQ-CQSZACIVSA-N 1 2 372.377 2.638 20 5 FFBDLO CCNC(=O)C[N@H+](C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000611262361 521064143 /nfs/dbraw/zinc/06/41/43/521064143.db2.gz KQADAHZHPJUDLH-UHFFFAOYSA-N 1 2 356.426 2.931 20 5 FFBDLO CCNC(=O)C[N@@H+](C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000611262361 521064152 /nfs/dbraw/zinc/06/41/52/521064152.db2.gz KQADAHZHPJUDLH-UHFFFAOYSA-N 1 2 356.426 2.931 20 5 FFBDLO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611276037 521074729 /nfs/dbraw/zinc/07/47/29/521074729.db2.gz BVKCWIIQSRJMSQ-CQSZACIVSA-N 1 2 358.398 2.609 20 5 FFBDLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611276037 521074738 /nfs/dbraw/zinc/07/47/38/521074738.db2.gz BVKCWIIQSRJMSQ-CQSZACIVSA-N 1 2 358.398 2.609 20 5 FFBDLO Cc1ncc([C@@H](C)[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(C)n1 ZINC000614963255 521214201 /nfs/dbraw/zinc/21/42/01/521214201.db2.gz ZESQDZDABPKYEX-CQSZACIVSA-N 1 2 369.425 2.521 20 5 FFBDLO Cn1cc(C[N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])n1 ZINC000602433355 521341522 /nfs/dbraw/zinc/34/15/22/521341522.db2.gz LULZWLSKWCFYTK-UHFFFAOYSA-N 1 2 363.849 2.690 20 5 FFBDLO Cn1cc(C[N@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])n1 ZINC000602433355 521341524 /nfs/dbraw/zinc/34/15/24/521341524.db2.gz LULZWLSKWCFYTK-UHFFFAOYSA-N 1 2 363.849 2.690 20 5 FFBDLO COc1ccc(OCC[NH2+]C(C)(C)C(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC000599658777 521370844 /nfs/dbraw/zinc/37/08/44/521370844.db2.gz FOXJRQKQMWJETL-UHFFFAOYSA-N 1 2 354.403 2.692 20 5 FFBDLO C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594107282 521408185 /nfs/dbraw/zinc/40/81/85/521408185.db2.gz KLHAOKNRFSMVFM-RWMBFGLXSA-N 1 2 361.398 2.569 20 5 FFBDLO C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594107282 521408193 /nfs/dbraw/zinc/40/81/93/521408193.db2.gz KLHAOKNRFSMVFM-RWMBFGLXSA-N 1 2 361.398 2.569 20 5 FFBDLO Cc1csc(CCNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])n1 ZINC000619153561 521419667 /nfs/dbraw/zinc/41/96/67/521419667.db2.gz XGIZSANJQAUHJK-UHFFFAOYSA-N 1 2 362.455 2.847 20 5 FFBDLO O=c1cc2c(n[nH]1)CC[N@@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC000602614706 521436799 /nfs/dbraw/zinc/43/67/99/521436799.db2.gz GILCAQXGZIEONW-UHFFFAOYSA-N 1 2 354.288 2.668 20 5 FFBDLO O=c1cc2c(n[nH]1)CC[N@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC000602614706 521436811 /nfs/dbraw/zinc/43/68/11/521436811.db2.gz GILCAQXGZIEONW-UHFFFAOYSA-N 1 2 354.288 2.668 20 5 FFBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cn(C4CCC4)nn3)CC2)cc1 ZINC000597012459 521444074 /nfs/dbraw/zinc/44/40/74/521444074.db2.gz VDSOPMAJBUTVOD-UHFFFAOYSA-N 1 2 357.414 2.955 20 5 FFBDLO Cc1cccn2c(NC(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)c[nH+]c12 ZINC000597084209 521490656 /nfs/dbraw/zinc/49/06/56/521490656.db2.gz LUIHBNUETKDTNR-UHFFFAOYSA-N 1 2 369.385 2.616 20 5 FFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597091158 521496610 /nfs/dbraw/zinc/49/66/10/521496610.db2.gz WILNOMWBRSZCIK-QMMMGPOBSA-N 1 2 352.782 2.930 20 5 FFBDLO COC(=O)[C@](C)(NCc1c[nH+]c2ccc(C)cn12)c1cccc([N+](=O)[O-])c1 ZINC000602735676 521504524 /nfs/dbraw/zinc/50/45/24/521504524.db2.gz JONMLZQQMFEENX-LJQANCHMSA-N 1 2 368.393 2.729 20 5 FFBDLO CCCn1nccc1NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602802348 521541979 /nfs/dbraw/zinc/54/19/79/521541979.db2.gz ZSTTUZZRSBXWDI-UHFFFAOYSA-N 1 2 357.414 2.804 20 5 FFBDLO CCCn1nccc1NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602802348 521541988 /nfs/dbraw/zinc/54/19/88/521541988.db2.gz ZSTTUZZRSBXWDI-UHFFFAOYSA-N 1 2 357.414 2.804 20 5 FFBDLO CC1(C)C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@]2(CCOC2)O1 ZINC000619434207 521565716 /nfs/dbraw/zinc/56/57/16/521565716.db2.gz CGQJNHUVCGQCOR-QGZVFWFLSA-N 1 2 372.368 2.966 20 5 FFBDLO CC1(C)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@]2(CCOC2)O1 ZINC000619434207 521565723 /nfs/dbraw/zinc/56/57/23/521565723.db2.gz CGQJNHUVCGQCOR-QGZVFWFLSA-N 1 2 372.368 2.966 20 5 FFBDLO COC(=O)COc1ccc(C[N@@H+]2CC(C)(C)OCC2(C)C)cc1[N+](=O)[O-] ZINC000616135962 521628375 /nfs/dbraw/zinc/62/83/75/521628375.db2.gz BULKGYVLXIVJNK-UHFFFAOYSA-N 1 2 366.414 2.536 20 5 FFBDLO COC(=O)COc1ccc(C[N@H+]2CC(C)(C)OCC2(C)C)cc1[N+](=O)[O-] ZINC000616135962 521628378 /nfs/dbraw/zinc/62/83/78/521628378.db2.gz BULKGYVLXIVJNK-UHFFFAOYSA-N 1 2 366.414 2.536 20 5 FFBDLO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000619778332 521866193 /nfs/dbraw/zinc/86/61/93/521866193.db2.gz SZTVUFVKUYXLQN-INIZCTEOSA-N 1 2 361.785 2.741 20 5 FFBDLO Cn1cc[nH+]c1[C@H](Nc1ncc([N+](=O)[O-])c(N)n1)c1ccc(Cl)cc1 ZINC000495420091 561487858 /nfs/dbraw/zinc/48/78/58/561487858.db2.gz FAZUKEKNSZEHJA-GFCCVEGCSA-N 1 2 359.777 2.555 20 5 FFBDLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000898504983 735371625 /nfs/dbraw/zinc/37/16/25/735371625.db2.gz WJXNIKCYXFSBHW-LLVKDONJSA-N 1 2 363.311 2.777 20 5 FFBDLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000898504983 735371628 /nfs/dbraw/zinc/37/16/28/735371628.db2.gz WJXNIKCYXFSBHW-LLVKDONJSA-N 1 2 363.311 2.777 20 5 FFBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898901941 735421113 /nfs/dbraw/zinc/42/11/13/735421113.db2.gz PZRZHMPSWQMETI-NSHDSACASA-N 1 2 366.805 2.764 20 5 FFBDLO O=C(Nc1nc2c(s1)CCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000046747591 728022206 /nfs/dbraw/zinc/02/22/06/728022206.db2.gz IIFVTJFBLZKWBD-UHFFFAOYSA-N 1 2 355.379 2.978 20 5 FFBDLO CC(C)(C)OC(=O)[C@]1(C)CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000859381445 730452832 /nfs/dbraw/zinc/45/28/32/730452832.db2.gz PSJOWRFUWQCWDW-QAPCUYQASA-N 1 2 350.415 2.824 20 5 FFBDLO CC(C)(C)OC(=O)[C@]1(C)CCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000859381445 730452833 /nfs/dbraw/zinc/45/28/33/730452833.db2.gz PSJOWRFUWQCWDW-QAPCUYQASA-N 1 2 350.415 2.824 20 5 FFBDLO O=C(NOCCCC(F)(F)F)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000871215558 731608104 /nfs/dbraw/zinc/60/81/04/731608104.db2.gz BEFSGSWNXBUIKT-UHFFFAOYSA-N 1 2 358.276 2.784 20 5 FFBDLO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000872074121 731726729 /nfs/dbraw/zinc/72/67/29/731726729.db2.gz BQHGKSLTHQVYCY-KGLIPLIRSA-N 1 2 353.488 2.814 20 5 FFBDLO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000872074121 731726732 /nfs/dbraw/zinc/72/67/32/731726732.db2.gz BQHGKSLTHQVYCY-KGLIPLIRSA-N 1 2 353.488 2.814 20 5 FFBDLO CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000872074122 731726744 /nfs/dbraw/zinc/72/67/44/731726744.db2.gz BQHGKSLTHQVYCY-UONOGXRCSA-N 1 2 353.488 2.814 20 5 FFBDLO CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000872074122 731726746 /nfs/dbraw/zinc/72/67/46/731726746.db2.gz BQHGKSLTHQVYCY-UONOGXRCSA-N 1 2 353.488 2.814 20 5 FFBDLO C[C@@H]1C[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC[C@H](C(F)(F)F)O1 ZINC000872816622 731837063 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O=C(N[C@H]1CCOC1)OC[C@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000796529880 740150262 /nfs/dbraw/zinc/15/02/62/740150262.db2.gz JDAGEHUEPFFEJD-UONOGXRCSA-N 1 2 369.443 2.526 20 5 FFBDLO O=C(N[C@H]1CCOC1)OC[C@H]1CCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000796529880 740150265 /nfs/dbraw/zinc/15/02/65/740150265.db2.gz JDAGEHUEPFFEJD-UONOGXRCSA-N 1 2 369.443 2.526 20 5 FFBDLO Cn1cc[nH+]c1CCCOC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000802784762 740730933 /nfs/dbraw/zinc/73/09/33/740730933.db2.gz GLRMCPHQGMOKRC-UHFFFAOYSA-N 1 2 355.297 2.719 20 5 FFBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccnc(Br)c3)CC2)n1 ZINC000815104658 741901723 /nfs/dbraw/zinc/90/17/23/741901723.db2.gz QFRLLSLGAWILEO-UHFFFAOYSA-N 1 2 366.219 2.786 20 5 FFBDLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000818355860 742266421 /nfs/dbraw/zinc/26/64/21/742266421.db2.gz KERGZBBXRDDZIY-RKDXNWHRSA-N 1 2 350.400 2.832 20 5 FFBDLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000818355858 742266496 /nfs/dbraw/zinc/26/64/96/742266496.db2.gz KERGZBBXRDDZIY-DTWKUNHWSA-N 1 2 350.400 2.832 20 5 FFBDLO C[C@]1(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1(Cl)Cl ZINC000828338041 745056900 /nfs/dbraw/zinc/05/69/00/745056900.db2.gz GQNCKMSRUOAUJQ-OAHLLOKOSA-N 1 2 372.252 2.937 20 5 FFBDLO COC(=O)C1(C[N@@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC1 ZINC000829531547 745218469 /nfs/dbraw/zinc/21/84/69/745218469.db2.gz NITCRQVVCZZQFQ-UHFFFAOYSA-N 1 2 369.215 2.669 20 5 FFBDLO COC(=O)C1(C[N@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC1 ZINC000829531547 745218473 /nfs/dbraw/zinc/21/84/73/745218473.db2.gz NITCRQVVCZZQFQ-UHFFFAOYSA-N 1 2 369.215 2.669 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000836784697 746305112 /nfs/dbraw/zinc/30/51/12/746305112.db2.gz HHIFRWHQVFDCKH-BETUJISGSA-N 1 2 369.849 2.738 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000836784697 746305118 /nfs/dbraw/zinc/30/51/18/746305118.db2.gz HHIFRWHQVFDCKH-BETUJISGSA-N 1 2 369.849 2.738 20 5 FFBDLO Cn1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cn1 ZINC000066854679 971978571 /nfs/dbraw/zinc/97/85/71/971978571.db2.gz REMUOTPHPDTRIE-UHFFFAOYSA-N 1 2 369.347 2.669 20 5 FFBDLO Cc1cc(=O)n2nc(C[N@H+](Cc3ccccc3[N+](=O)[O-])C3CC3)sc2n1 ZINC000135218313 963832376 /nfs/dbraw/zinc/83/23/76/963832376.db2.gz DCQULYLUMJIFCP-UHFFFAOYSA-N 1 2 371.422 2.532 20 5 FFBDLO Cc1cc(=O)n2nc(C[N@@H+](Cc3ccccc3[N+](=O)[O-])C3CC3)sc2n1 ZINC000135218313 963832379 /nfs/dbraw/zinc/83/23/79/963832379.db2.gz DCQULYLUMJIFCP-UHFFFAOYSA-N 1 2 371.422 2.532 20 5 FFBDLO CNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001175361976 1013455569 /nfs/dbraw/zinc/45/55/69/1013455569.db2.gz ONSWUVVEBFQAEM-INIZCTEOSA-N 1 2 364.446 2.666 20 5 FFBDLO CNC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001175361976 1013455573 /nfs/dbraw/zinc/45/55/73/1013455573.db2.gz ONSWUVVEBFQAEM-INIZCTEOSA-N 1 2 364.446 2.666 20 5 FFBDLO C[N@H+](CC(F)F)C1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000933708143 965104956 /nfs/dbraw/zinc/10/49/56/965104956.db2.gz HDDNWUKZQXDHON-UHFFFAOYSA-N 1 2 373.375 2.854 20 5 FFBDLO C[N@@H+](CC(F)F)C1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000933708143 965104961 /nfs/dbraw/zinc/10/49/61/965104961.db2.gz HDDNWUKZQXDHON-UHFFFAOYSA-N 1 2 373.375 2.854 20 5 FFBDLO O=[N+]([O-])c1ccc(CCS(=O)(=O)Oc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000178930300 966123960 /nfs/dbraw/zinc/12/39/60/966123960.db2.gz KUUYGLNXTLZMHF-UHFFFAOYSA-N 1 2 373.390 2.732 20 5 FFBDLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178856470 967403052 /nfs/dbraw/zinc/40/30/52/967403052.db2.gz RDPYZHSMWAYYNJ-SFHVURJKSA-N 1 2 373.409 2.597 20 5 FFBDLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178856470 967403060 /nfs/dbraw/zinc/40/30/60/967403060.db2.gz RDPYZHSMWAYYNJ-SFHVURJKSA-N 1 2 373.409 2.597 20 5 FFBDLO C[C@@H](CNC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1[N+](=O)[O-] ZINC000897077450 973234666 /nfs/dbraw/zinc/23/46/66/973234666.db2.gz GMTMWXVVORRZKO-HNNXBMFYSA-N 1 2 369.425 2.625 20 5 FFBDLO CCNC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000121580013 979059518 /nfs/dbraw/zinc/05/95/18/979059518.db2.gz UUIOXKBVFALELB-UHFFFAOYSA-N 1 2 358.398 2.702 20 5 FFBDLO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000057406444 984495925 /nfs/dbraw/zinc/49/59/25/984495925.db2.gz QMAYURNHJLEHLL-BRWVUGGUSA-N 1 2 374.485 2.610 20 5 FFBDLO Cc1nn(C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761293260 985133257 /nfs/dbraw/zinc/13/32/57/985133257.db2.gz VYGZOFMRRXYIJV-INIZCTEOSA-N 1 2 371.441 2.687 20 5 FFBDLO Cc1nn(C[N@H+]2CCC[C@H](N3CCCCC3=O)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761293260 985133264 /nfs/dbraw/zinc/13/32/64/985133264.db2.gz VYGZOFMRRXYIJV-INIZCTEOSA-N 1 2 371.441 2.687 20 5 FFBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NCCOc1ccccc1 ZINC000130506175 987370637 /nfs/dbraw/zinc/37/06/37/987370637.db2.gz ZAXSGQFDONBHNS-UHFFFAOYSA-N 1 2 369.421 2.754 20 5 FFBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NCCOc1ccccc1 ZINC000130506175 987370644 /nfs/dbraw/zinc/37/06/44/987370644.db2.gz ZAXSGQFDONBHNS-UHFFFAOYSA-N 1 2 369.421 2.754 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000444658477 990303400 /nfs/dbraw/zinc/30/34/00/990303400.db2.gz GCHOPWGFSDCNPB-LBPRGKRZSA-N 1 2 353.382 2.829 20 5 FFBDLO Cc1nn(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000740856207 999686995 /nfs/dbraw/zinc/68/69/95/999686995.db2.gz BICUNKHHMAUVHL-BXUZGUMPSA-N 1 2 367.450 2.601 20 5 FFBDLO Cc1nn(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000740856207 999686998 /nfs/dbraw/zinc/68/69/98/999686998.db2.gz BICUNKHHMAUVHL-BXUZGUMPSA-N 1 2 367.450 2.601 20 5 FFBDLO O=C(OCc1cc(F)ccc1[N+](=O)[O-])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741183058 999712882 /nfs/dbraw/zinc/71/28/82/999712882.db2.gz QNZIZJFPTKPISP-GOSISDBHSA-N 1 2 374.368 2.678 20 5 FFBDLO O=C(OCc1cc(F)ccc1[N+](=O)[O-])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741183058 999712885 /nfs/dbraw/zinc/71/28/85/999712885.db2.gz QNZIZJFPTKPISP-GOSISDBHSA-N 1 2 374.368 2.678 20 5 FFBDLO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000745083969 999894385 /nfs/dbraw/zinc/89/43/85/999894385.db2.gz PIWQYOOFWPZREA-CZUORRHYSA-N 1 2 363.414 2.648 20 5 FFBDLO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000745083969 999894386 /nfs/dbraw/zinc/89/43/86/999894386.db2.gz PIWQYOOFWPZREA-CZUORRHYSA-N 1 2 363.414 2.648 20 5 FFBDLO C[C@@H]1c2ncc(COc3cccnc3)n2CC[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169023311 1000017857 /nfs/dbraw/zinc/01/78/57/1000017857.db2.gz FHOPUPRXAWOXIR-OAGGEKHMSA-N 1 2 371.441 2.679 20 5 FFBDLO C[C@@H]1c2ncc(COc3cccnc3)n2CC[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169023311 1000017859 /nfs/dbraw/zinc/01/78/59/1000017859.db2.gz FHOPUPRXAWOXIR-OAGGEKHMSA-N 1 2 371.441 2.679 20 5 FFBDLO COc1cnccc1-c1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000771543257 1001140598 /nfs/dbraw/zinc/14/05/98/1001140598.db2.gz NHTDKZMIRRMLLD-UHFFFAOYSA-N 1 2 364.321 2.901 20 5 FFBDLO COC(=O)[C@@H]1CCC[C@H](OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000785942617 1001505813 /nfs/dbraw/zinc/50/58/13/1001505813.db2.gz IIBQIZSJODIOAV-OCCSQVGLSA-N 1 2 373.365 2.669 20 5 FFBDLO O=C1N[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC[C@H]2CO1 ZINC001182734559 1002033851 /nfs/dbraw/zinc/03/38/51/1002033851.db2.gz XHVNHCPACZLDKI-CMPLNLGQSA-N 1 2 359.304 2.544 20 5 FFBDLO O=C1N[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC[C@H]2CO1 ZINC001182734559 1002033862 /nfs/dbraw/zinc/03/38/62/1002033862.db2.gz XHVNHCPACZLDKI-CMPLNLGQSA-N 1 2 359.304 2.544 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc(OC)c(OC)cc1OC ZINC001201633976 1005238891 /nfs/dbraw/zinc/23/88/91/1005238891.db2.gz MJEKCPATELZGJG-UHFFFAOYSA-N 1 2 362.382 2.919 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000775157196 1006361269 /nfs/dbraw/zinc/36/12/69/1006361269.db2.gz BLSFOTXZHCFHNN-MSOLQXFVSA-N 1 2 370.384 2.880 20 5 FFBDLO O=[N+]([O-])c1cn(C[NH+]2CCC(OCC3CC3)CC2)nc1-c1ccccn1 ZINC000853500653 1006415007 /nfs/dbraw/zinc/41/50/07/1006415007.db2.gz UQTKKMGVTLPMBH-UHFFFAOYSA-N 1 2 357.414 2.702 20 5 FFBDLO COc1ccc(C)cc1C[NH+]1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885940305 1007844565 /nfs/dbraw/zinc/84/45/65/1007844565.db2.gz GALWORNBWFCEOQ-UHFFFAOYSA-N 1 2 356.426 2.625 20 5 FFBDLO CCOC(=O)C1=CC[C@H]([NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000858510327 1008371768 /nfs/dbraw/zinc/37/17/68/1008371768.db2.gz XHNGRHYOUOWEBQ-DOTOQJQBSA-N 1 2 370.409 2.659 20 5 FFBDLO Cc1ccc([C@@H](C)[NH2+]C(c2ccnn2C)c2ccnn2C)cc1[N+](=O)[O-] ZINC000858582333 1008385531 /nfs/dbraw/zinc/38/55/31/1008385531.db2.gz VKQVPVWOSOIHQI-CYBMUJFWSA-N 1 2 354.414 2.810 20 5 FFBDLO O=C1[C@H]([NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCN1C1CCCCC1 ZINC000859055055 1008470325 /nfs/dbraw/zinc/47/03/25/1008470325.db2.gz FIXFGZXHNWPMOC-LJQANCHMSA-N 1 2 372.469 2.650 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@@H]2CCC3(CCC3)CO2)CC1 ZINC000886069869 1008531773 /nfs/dbraw/zinc/53/17/73/1008531773.db2.gz LESXSPXJKDIZJB-SFHVURJKSA-N 1 2 373.453 2.702 20 5 FFBDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000822726656 1008745447 /nfs/dbraw/zinc/74/54/47/1008745447.db2.gz TVAZKQLABCBLMM-KRWDZBQOSA-N 1 2 372.425 2.985 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)c1ccc([N+](=O)[O-])cc1 ZINC000886701502 1008829620 /nfs/dbraw/zinc/82/96/20/1008829620.db2.gz QKVPHLFKQJZHFR-DLBZAZTESA-N 1 2 356.426 2.967 20 5 FFBDLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3ccccc3[N+](=O)[O-])C2)c1 ZINC000826567621 1009171837 /nfs/dbraw/zinc/17/18/37/1009171837.db2.gz AKOBOAZJBCCXLU-KRWDZBQOSA-N 1 2 369.421 2.534 20 5 FFBDLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)c3ccccc3[N+](=O)[O-])C2)c1 ZINC000826567621 1009171850 /nfs/dbraw/zinc/17/18/50/1009171850.db2.gz AKOBOAZJBCCXLU-KRWDZBQOSA-N 1 2 369.421 2.534 20 5 FFBDLO O=c1[nH]cc(-c2nc(-c3ccccc3-n3cc[nH+]c3)no2)cc1[N+](=O)[O-] ZINC001212843998 1009544380 /nfs/dbraw/zinc/54/43/80/1009544380.db2.gz ICCRQGRBOPVUGR-UHFFFAOYSA-N 1 2 350.294 2.598 20 5 FFBDLO O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000861860247 1009591911 /nfs/dbraw/zinc/59/19/11/1009591911.db2.gz GJLUBRSEHOHRMI-INIZCTEOSA-N 1 2 369.421 2.685 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1C ZINC000889540106 1010008329 /nfs/dbraw/zinc/00/83/29/1010008329.db2.gz RGWFPAFZLPOEGC-HOTGVXAUSA-N 1 2 361.442 2.585 20 5 FFBDLO O=C(N[C@H]1CCOC12CCCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000890424352 1010404348 /nfs/dbraw/zinc/40/43/48/1010404348.db2.gz NITSCHOFAXIZMI-INIZCTEOSA-N 1 2 356.382 2.612 20 5 FFBDLO 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O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)nc1-c1ccncc1 ZINC000777548577 1017667987 /nfs/dbraw/zinc/66/79/87/1017667987.db2.gz UBPGKKPESBNYCU-MRXNPFEDSA-N 1 2 357.414 2.702 20 5 FFBDLO O=[N+]([O-])c1cn(C[N@H+]2CCC[C@@H](OCC3CC3)C2)nc1-c1ccncc1 ZINC000777548577 1017667991 /nfs/dbraw/zinc/66/79/91/1017667991.db2.gz UBPGKKPESBNYCU-MRXNPFEDSA-N 1 2 357.414 2.702 20 5 FFBDLO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CCN(c2cccc[nH+]2)CC1 ZINC000929219437 1019322383 /nfs/dbraw/zinc/32/23/83/1019322383.db2.gz NMYLBTLLZKTRRW-UHFFFAOYSA-N 1 2 374.828 2.925 20 5 FFBDLO CC(C)C[C@@H]1CCC(=O)N(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000800865362 1020609960 /nfs/dbraw/zinc/60/99/60/1020609960.db2.gz AHYKELOHKRPEQF-INIZCTEOSA-N 1 2 361.442 2.838 20 5 FFBDLO CC(C)C[C@@H]1CCC(=O)N(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000800865362 1020609965 /nfs/dbraw/zinc/60/99/65/1020609965.db2.gz AHYKELOHKRPEQF-INIZCTEOSA-N 1 2 361.442 2.838 20 5 FFBDLO 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O=C(OC[C@@H]1CC12CCOCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000758020042 1023905940 /nfs/dbraw/zinc/90/59/40/1023905940.db2.gz LYACNHIJDQMMDX-AWEZNQCLSA-N 1 2 357.366 2.754 20 5 FFBDLO O=C([C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001123984952 1024198614 /nfs/dbraw/zinc/19/86/14/1024198614.db2.gz APGGCXUXRFBMPY-MSOLQXFVSA-N 1 2 354.410 2.903 20 5 FFBDLO Cn1c[nH+]cc1CCC(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000839866050 1026850617 /nfs/dbraw/zinc/85/06/17/1026850617.db2.gz BELHOPRUODKSRV-CQSZACIVSA-N 1 2 374.294 2.820 20 5 FFBDLO COc1ccc(Cn2c[nH+]cc2CNc2nc(C)ncc2[N+](=O)[O-])cc1 ZINC001161507594 1028206543 /nfs/dbraw/zinc/20/65/43/1028206543.db2.gz REWNPXVYWOYQSX-UHFFFAOYSA-N 1 2 354.370 2.559 20 5 FFBDLO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CC[C@@H](Nc4ncccn4)C3)c2c(Cl)c1 ZINC000842613868 1030822987 /nfs/dbraw/zinc/82/29/87/1030822987.db2.gz APMGZLFCLOSUHO-GFCCVEGCSA-N 1 2 373.804 2.532 20 5 FFBDLO O=[N+]([O-])c1cc2cnn(C[N@H+]3CC[C@@H](Nc4ncccn4)C3)c2c(Cl)c1 ZINC000842613868 1030823001 /nfs/dbraw/zinc/82/30/01/1030823001.db2.gz APMGZLFCLOSUHO-GFCCVEGCSA-N 1 2 373.804 2.532 20 5 FFBDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1c(F)cccc1[N+](=O)[O-] ZINC001534900765 1069698360 /nfs/dbraw/zinc/69/83/60/1069698360.db2.gz CWLYHJUZWHFJAB-UHFFFAOYSA-N 1 2 354.341 2.909 20 5 FFBDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C ZINC001205665211 1031919644 /nfs/dbraw/zinc/91/96/44/1031919644.db2.gz WCSPRXVQLJSQDP-GFCCVEGCSA-N 1 2 370.837 2.789 20 5 FFBDLO O=[N+]([O-])c1cnc(O[C@H]2COCC[N@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC001226258470 1034596755 /nfs/dbraw/zinc/59/67/55/1034596755.db2.gz NZIPQVUXGRBJJM-OAHLLOKOSA-N 1 2 363.801 2.923 20 5 FFBDLO O=[N+]([O-])c1cnc(O[C@H]2COCC[N@@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC001226258470 1034596761 /nfs/dbraw/zinc/59/67/61/1034596761.db2.gz NZIPQVUXGRBJJM-OAHLLOKOSA-N 1 2 363.801 2.923 20 5 FFBDLO COC(=O)C[C@H]1COCC[N@@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232226248 1035505676 /nfs/dbraw/zinc/50/56/76/1035505676.db2.gz TWKJSYGLUCVZFK-KRWDZBQOSA-N 1 2 351.406 2.547 20 5 FFBDLO COC(=O)C[C@H]1COCC[N@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232226248 1035505681 /nfs/dbraw/zinc/50/56/81/1035505681.db2.gz TWKJSYGLUCVZFK-KRWDZBQOSA-N 1 2 351.406 2.547 20 5 FFBDLO CN(C)c1cc(COC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC000835287180 1035666143 /nfs/dbraw/zinc/66/61/43/1035666143.db2.gz OKHMVBWNFCADQA-UHFFFAOYSA-N 1 2 357.366 2.762 20 5 FFBDLO Cc1cc(O[C@@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])cc1Br ZINC001228001962 1035865230 /nfs/dbraw/zinc/86/52/30/1035865230.db2.gz XKDDECLORRFWTA-NSHDSACASA-N 1 2 359.220 2.765 20 5 FFBDLO CC[C@H](OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@H](C)C(=O)OC ZINC000836113810 1036245756 /nfs/dbraw/zinc/24/57/56/1036245756.db2.gz JIFWAXLNUGQEHO-NHYWBVRUSA-N 1 2 361.354 2.525 20 5 FFBDLO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-] ZINC001228860679 1036368247 /nfs/dbraw/zinc/36/82/47/1036368247.db2.gz 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Cc1c(NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001311258631 1043859611 /nfs/dbraw/zinc/85/96/11/1043859611.db2.gz OIVGGEYJBHMJHC-SECBINFHSA-N 1 2 369.303 2.865 20 5 FFBDLO Cc1nnc([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3Br)C2)[nH]1 ZINC001326007956 1046721404 /nfs/dbraw/zinc/72/14/04/1046721404.db2.gz NUNRXWBYKHMQFO-LLVKDONJSA-N 1 2 366.219 2.773 20 5 FFBDLO Cc1nnc([C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Br)C2)[nH]1 ZINC001326007956 1046721420 /nfs/dbraw/zinc/72/14/20/1046721420.db2.gz NUNRXWBYKHMQFO-LLVKDONJSA-N 1 2 366.219 2.773 20 5 FFBDLO Cc1n[nH]c([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3Br)C2)n1 ZINC001326007956 1046721436 /nfs/dbraw/zinc/72/14/36/1046721436.db2.gz NUNRXWBYKHMQFO-LLVKDONJSA-N 1 2 366.219 2.773 20 5 FFBDLO Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Br)C2)n1 ZINC001326007956 1046721451 /nfs/dbraw/zinc/72/14/51/1046721451.db2.gz NUNRXWBYKHMQFO-LLVKDONJSA-N 1 2 366.219 2.773 20 5 FFBDLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001287948935 1047377662 /nfs/dbraw/zinc/37/76/62/1047377662.db2.gz WPXHYPCFEYKAMV-KRWDZBQOSA-N 1 2 357.435 2.990 20 5 FFBDLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001287948935 1047377685 /nfs/dbraw/zinc/37/76/85/1047377685.db2.gz WPXHYPCFEYKAMV-KRWDZBQOSA-N 1 2 357.435 2.990 20 5 FFBDLO CC[NH+]1CCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC1 ZINC001540593706 1070941578 /nfs/dbraw/zinc/94/15/78/1070941578.db2.gz IHDCANNIQAXXDC-UHFFFAOYSA-N 1 2 350.177 2.818 20 5 FFBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC001542613858 1071267139 /nfs/dbraw/zinc/26/71/39/1071267139.db2.gz QPJBVNBPOXJMKW-UHFFFAOYSA-N 1 2 355.394 2.739 20 5 FFBDLO Cc1c(C(=O)N2CCC(Cc3c[nH]c[nH+]3)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001305933941 1051974905 /nfs/dbraw/zinc/97/49/05/1051974905.db2.gz MOKVYTQNXAMOKD-UHFFFAOYSA-N 1 2 373.369 2.629 20 5 FFBDLO CN(CCOc1ccccc1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001351699376 1054959109 /nfs/dbraw/zinc/95/91/09/1054959109.db2.gz CQZHCBJUYJJVHL-UHFFFAOYSA-N 1 2 366.377 2.932 20 5 FFBDLO COC(=O)/C=C/c1ccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)o1 ZINC000848877110 1055288589 /nfs/dbraw/zinc/28/85/89/1055288589.db2.gz PVEXKNMLVRETBT-CMDGGOBGSA-N 1 2 371.393 2.696 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCC[C@]12CCCOC2 ZINC001350177707 1055660288 /nfs/dbraw/zinc/66/02/88/1055660288.db2.gz ZJJKZLVYXVTVEQ-LJQANCHMSA-N 1 2 370.409 2.956 20 5 FFBDLO COCc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001357976695 1056087147 /nfs/dbraw/zinc/08/71/47/1056087147.db2.gz YWRCSRJYFWLEPC-UHFFFAOYSA-N 1 2 366.377 2.857 20 5 FFBDLO CC[C@H](C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCO[C@@H](CC)C1 ZINC001445407698 1058400497 /nfs/dbraw/zinc/40/04/97/1058400497.db2.gz BGQVAGSLKYEDKF-DLBZAZTESA-N 1 2 363.458 2.836 20 5 FFBDLO CC[C@H](C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCO[C@@H](CC)C1 ZINC001445407698 1058400504 /nfs/dbraw/zinc/40/05/04/1058400504.db2.gz BGQVAGSLKYEDKF-DLBZAZTESA-N 1 2 363.458 2.836 20 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ZINC000849958306 1060926076 /nfs/dbraw/zinc/92/60/76/1060926076.db2.gz RYUCKIDBMAZLOJ-UHFFFAOYSA-N 1 2 373.365 2.914 20 5 FFBDLO CC(C)(CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccn1 ZINC001526385663 1061108392 /nfs/dbraw/zinc/10/83/92/1061108392.db2.gz GLERPZPVRYAASS-UHFFFAOYSA-N 1 2 365.393 2.883 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@@H+](C)[C@H](C(C)(C)C)C2)cc1C ZINC001475653394 1061183399 /nfs/dbraw/zinc/18/33/99/1061183399.db2.gz KSHJEPASBHRBRT-INIZCTEOSA-N 1 2 369.487 2.562 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@H+](C)[C@H](C(C)(C)C)C2)cc1C ZINC001475653394 1061183404 /nfs/dbraw/zinc/18/34/04/1061183404.db2.gz KSHJEPASBHRBRT-INIZCTEOSA-N 1 2 369.487 2.562 20 5 FFBDLO CSc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ncn1 ZINC001461696300 1061381708 /nfs/dbraw/zinc/38/17/08/1061381708.db2.gz WHORFBSRDXYXIX-UHFFFAOYSA-N 1 2 356.367 2.545 20 5 FFBDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)[C@H](C)CO1 ZINC001477223708 1061632125 /nfs/dbraw/zinc/63/21/25/1061632125.db2.gz PNTYPTYHIASSHH-ZIAGYGMSSA-N 1 2 372.425 2.979 20 5 FFBDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)[C@H](C)CO1 ZINC001477223708 1061632137 /nfs/dbraw/zinc/63/21/37/1061632137.db2.gz PNTYPTYHIASSHH-ZIAGYGMSSA-N 1 2 372.425 2.979 20 5 FFBDLO COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)cc1 ZINC001522239891 1061786932 /nfs/dbraw/zinc/78/69/32/1061786932.db2.gz VNUIYAAJCPTOPQ-UHFFFAOYSA-N 1 2 352.350 2.719 20 5 FFBDLO COC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1ccc(C)o1 ZINC001435368231 1062459477 /nfs/dbraw/zinc/45/94/77/1062459477.db2.gz DCTVHRCSRPNIBJ-AWEZNQCLSA-N 1 2 370.365 2.799 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)n1 ZINC001464375295 1062578959 /nfs/dbraw/zinc/57/89/59/1062578959.db2.gz FJRDWGUBALZSPL-UHFFFAOYSA-N 1 2 361.427 2.993 20 5 FFBDLO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)cc1[N+](=O)[O-] ZINC001438584828 1063020090 /nfs/dbraw/zinc/02/00/90/1063020090.db2.gz WRXFDAGZSSBZLF-QGZVFWFLSA-N 1 2 370.365 2.728 20 5 FFBDLO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)cc1[N+](=O)[O-] ZINC001438584828 1063020117 /nfs/dbraw/zinc/02/01/17/1063020117.db2.gz WRXFDAGZSSBZLF-QGZVFWFLSA-N 1 2 370.365 2.728 20 5 FFBDLO Cc1cc(CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC001525863583 1063442407 /nfs/dbraw/zinc/44/24/07/1063442407.db2.gz IITKFXOWFDZEQC-UHFFFAOYSA-N 1 2 351.366 2.722 20 5 FFBDLO CCn1c[nH+]c2c1CCN(c1c3cc([N+](=O)[O-])ccc3ncc1[N+](=O)[O-])C2 ZINC001472886392 1065168284 /nfs/dbraw/zinc/16/82/84/1065168284.db2.gz PWPYBDHBFUVHKZ-UHFFFAOYSA-N 1 2 368.353 2.830 20 5 FFBDLO COc1c(O)ccc(C[NH+]2CCN(c3cccc(C)c3)CC2)c1[N+](=O)[O-] ZINC001474406557 1065514904 /nfs/dbraw/zinc/51/49/04/1065514904.db2.gz IAFUYFYIJDQCIQ-UHFFFAOYSA-N 1 2 357.410 2.940 20 5 FFBDLO C[C@@H]1c2ccccc2OCC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001576398656 1078225125 /nfs/dbraw/zinc/22/51/25/1078225125.db2.gz MDVMWGUCDDDOTF-GFCCVEGCSA-N 1 2 366.381 2.731 20 5 FFBDLO C[C@@H]1c2ccccc2OCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001576398656 1078225129 /nfs/dbraw/zinc/22/51/29/1078225129.db2.gz MDVMWGUCDDDOTF-GFCCVEGCSA-N 1 2 366.381 2.731 20 5 FFBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC001562869621 1074102772 /nfs/dbraw/zinc/10/27/72/1074102772.db2.gz ZCJVMMBVMCPCME-NWDGAFQWSA-N 1 2 370.837 2.787 20 5 FFBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC001562869621 1074102776 /nfs/dbraw/zinc/10/27/76/1074102776.db2.gz ZCJVMMBVMCPCME-NWDGAFQWSA-N 1 2 370.837 2.787 20 5 FFBDLO O=C(NCC1(C2(O)CCC2)CCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001558329774 1075983274 /nfs/dbraw/zinc/98/32/74/1075983274.db2.gz CAGMBFGCFNADIQ-UHFFFAOYSA-N 1 2 370.409 2.596 20 5 FFBDLO CN(C)c1[nH+]cc(CSc2ncc([N+](=O)[O-])c(N)n2)c2ccccc21 ZINC001559415044 1076157014 /nfs/dbraw/zinc/15/70/14/1076157014.db2.gz CAICIQICEOJBQZ-UHFFFAOYSA-N 1 2 356.411 2.874 20 5 FFBDLO Cc1cc(S(=O)(=O)Oc2cccc(-n3cc[nH+]c3)c2)c([N+](=O)[O-])s1 ZINC001561271653 1076355308 /nfs/dbraw/zinc/35/53/08/1076355308.db2.gz TXLVSPPIIOIEEQ-UHFFFAOYSA-N 1 2 365.392 2.918 20 5 FFBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001567821375 1077054822 /nfs/dbraw/zinc/05/48/22/1077054822.db2.gz MDQAWPRKODJQCA-CQSZACIVSA-N 1 2 363.377 2.598 20 5 FFBDLO CSc1ccc(C(=O)N2CC[NH+](Cc3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000033237364 249368040 /nfs/dbraw/zinc/36/80/40/249368040.db2.gz SHMHFLPNMOZGFH-UHFFFAOYSA-N 1 2 372.450 2.670 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@H](O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000272507643 252055024 /nfs/dbraw/zinc/05/50/24/252055024.db2.gz IHMYCKFOCGWGCH-RTBURBONSA-N 1 2 366.421 2.611 20 5 FFBDLO Cc1c(NC(=O)N[C@H]2CCO[C@H](c3c[nH+]cn3C)C2)cccc1[N+](=O)[O-] ZINC000275300184 255983911 /nfs/dbraw/zinc/98/39/11/255983911.db2.gz NDBYSNSUNAQZJL-LRDDRELGSA-N 1 2 359.386 2.679 20 5 FFBDLO CCCc1n[nH]c(C(=O)N(C)CCCc2[nH+]ccn2CCC)c1[N+](=O)[O-] ZINC000277442999 256198466 /nfs/dbraw/zinc/19/84/66/256198466.db2.gz FLOGJYKTYHMHDC-UHFFFAOYSA-N 1 2 362.434 2.582 20 5 FFBDLO CCCc1[nH]nc(C(=O)N(C)CCCc2[nH+]ccn2CCC)c1[N+](=O)[O-] ZINC000277442999 256198467 /nfs/dbraw/zinc/19/84/67/256198467.db2.gz FLOGJYKTYHMHDC-UHFFFAOYSA-N 1 2 362.434 2.582 20 5 FFBDLO C[C@H](c1nccs1)[NH+]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000278205170 256287515 /nfs/dbraw/zinc/28/75/15/256287515.db2.gz FIMUOWYXLCAPAC-GFCCVEGCSA-N 1 2 359.455 2.903 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc(N3CCCCC3)[nH+]c2)n1 ZINC000286268849 257028688 /nfs/dbraw/zinc/02/86/88/257028688.db2.gz WIZBDCXQWZKHEF-UHFFFAOYSA-N 1 2 357.370 2.905 20 5 FFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCn2c(cc3ccccc32)C1 ZINC000286830670 257057421 /nfs/dbraw/zinc/05/74/21/257057421.db2.gz BPNCMXHNVHDKDG-UHFFFAOYSA-N 1 2 352.394 2.617 20 5 FFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCn2c(cc3ccccc32)C1 ZINC000286830670 257057422 /nfs/dbraw/zinc/05/74/22/257057422.db2.gz BPNCMXHNVHDKDG-UHFFFAOYSA-N 1 2 352.394 2.617 20 5 FFBDLO Cc1ccc2[nH+]c(CNC(=O)N(C)CCc3ccccc3[N+](=O)[O-])cn2c1 ZINC000287365915 257085628 /nfs/dbraw/zinc/08/56/28/257085628.db2.gz ZFRJOWVIIIGQLU-UHFFFAOYSA-N 1 2 367.409 2.935 20 5 FFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+](CCCO)Cc2ccccn2)c1 ZINC000289525551 257285578 /nfs/dbraw/zinc/28/55/78/257285578.db2.gz VRMWYFYTOXCHOW-UHFFFAOYSA-N 1 2 367.352 2.976 20 5 FFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+](CCCO)Cc2ccccn2)c1 ZINC000289525551 257285579 /nfs/dbraw/zinc/28/55/79/257285579.db2.gz VRMWYFYTOXCHOW-UHFFFAOYSA-N 1 2 367.352 2.976 20 5 FFBDLO C[C@H](Nc1ccc(Br)cc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000301157681 258029993 /nfs/dbraw/zinc/02/99/93/258029993.db2.gz AQOMVFTVVYECMF-QWRGUYRKSA-N 1 2 358.236 2.878 20 5 FFBDLO O=C1[C@@H]([NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)CCN1c1ccccc1 ZINC000301212155 258034713 /nfs/dbraw/zinc/03/47/13/258034713.db2.gz WGNPVCJCIBFFFD-IBGZPJMESA-N 1 2 366.421 2.522 20 5 FFBDLO CCOCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000301355345 258044228 /nfs/dbraw/zinc/04/42/28/258044228.db2.gz LREVEKQKCMBZNH-UHFFFAOYSA-N 1 2 358.236 2.516 20 5 FFBDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000301464895 258051204 /nfs/dbraw/zinc/05/12/04/258051204.db2.gz POFZCYIQQMKBLC-LLVKDONJSA-N 1 2 362.821 2.504 20 5 FFBDLO Cc1cc(NC[C@@]2(CCO)CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301665621 258061667 /nfs/dbraw/zinc/06/16/67/258061667.db2.gz LYAAAWVQNXTCGZ-GOSISDBHSA-N 1 2 358.398 2.561 20 5 FFBDLO O=C1COc2cc([N+](=O)[O-])c(NCCCc3[nH]c4ccccc4[nH+]3)cc2N1 ZINC000301672068 258062054 /nfs/dbraw/zinc/06/20/54/258062054.db2.gz FWTHDYTZIQHVBB-UHFFFAOYSA-N 1 2 367.365 2.847 20 5 FFBDLO Cc1cc(N[C@H](C)CCS(C)(=O)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301675716 258062348 /nfs/dbraw/zinc/06/23/48/258062348.db2.gz QEFLFRBJHIPPIX-LLVKDONJSA-N 1 2 364.427 2.595 20 5 FFBDLO Cc1ccc[nH+]c1CCNc1ncc([N+](=O)[O-])c(C)c1Br ZINC000404653189 512969515 /nfs/dbraw/zinc/96/95/15/512969515.db2.gz LJLMADSCHPUCCF-UHFFFAOYSA-N 1 2 351.204 2.841 20 5 FFBDLO Cc1csc(CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000032638768 506273929 /nfs/dbraw/zinc/27/39/29/506273929.db2.gz XLELNCWZZFGCCV-UHFFFAOYSA-N 1 2 357.395 2.518 20 5 FFBDLO O=[N+]([O-])c1cccc([C@H]([NH2+]Cc2nnc3n2CCOC3)c2ccccc2)c1 ZINC000368988954 512170506 /nfs/dbraw/zinc/17/05/06/512170506.db2.gz DTKGCFIOCLDRPJ-LJQANCHMSA-N 1 2 365.393 2.596 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000377301223 512207544 /nfs/dbraw/zinc/20/75/44/512207544.db2.gz ZSUUZRLSGYUDEN-LBPRGKRZSA-N 1 2 359.386 2.748 20 5 FFBDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000375251982 512232531 /nfs/dbraw/zinc/23/25/31/512232531.db2.gz ZXQAWLSOJFAYEM-CYBMUJFWSA-N 1 2 358.401 2.692 20 5 FFBDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000375251982 512232536 /nfs/dbraw/zinc/23/25/36/512232536.db2.gz ZXQAWLSOJFAYEM-CYBMUJFWSA-N 1 2 358.401 2.692 20 5 FFBDLO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000373243373 512237151 /nfs/dbraw/zinc/23/71/51/512237151.db2.gz OBEYEFLIGBZION-NSHDSACASA-N 1 2 368.315 2.689 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)Cc1scnc1C ZINC000066566124 506557052 /nfs/dbraw/zinc/55/70/52/506557052.db2.gz QRWUJRQRYULZPG-NSHDSACASA-N 1 2 364.427 2.827 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)Cc1scnc1C ZINC000066566124 506557059 /nfs/dbraw/zinc/55/70/59/506557059.db2.gz QRWUJRQRYULZPG-NSHDSACASA-N 1 2 364.427 2.827 20 5 FFBDLO Cc1ccc2[nH+]c(CNS(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)cn2c1 ZINC000055296042 506721428 /nfs/dbraw/zinc/72/14/28/506721428.db2.gz NSJKQEAUFJJDQH-UHFFFAOYSA-N 1 2 374.422 2.646 20 5 FFBDLO Cc1[nH]c2ccc(NC(=O)[C@@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)cc2[nH+]1 ZINC000010895782 506757228 /nfs/dbraw/zinc/75/72/28/506757228.db2.gz QRUHOUSCWKPMAK-SNVBAGLBSA-N 1 2 367.365 2.537 20 5 FFBDLO 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O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c(F)c1 ZINC000126572080 509097467 /nfs/dbraw/zinc/09/74/67/509097467.db2.gz GWHAKPGYFGYADX-UHFFFAOYSA-N 1 2 362.342 2.720 20 5 FFBDLO CNC(=O)c1ccc(NCCCc2[nH+]c3ccccc3n2C)c([N+](=O)[O-])c1 ZINC000266831110 509216498 /nfs/dbraw/zinc/21/64/98/509216498.db2.gz CSRUIEHTRQKHHG-UHFFFAOYSA-N 1 2 367.409 2.886 20 5 FFBDLO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1OC ZINC000263960598 509251162 /nfs/dbraw/zinc/25/11/62/509251162.db2.gz WWAUNTJJTCMKKH-LBPRGKRZSA-N 1 2 374.397 2.745 20 5 FFBDLO CN(C)C(=O)C1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000162592017 509259857 /nfs/dbraw/zinc/25/98/57/509259857.db2.gz JZQIVWSOAHBURB-UHFFFAOYSA-N 1 2 370.247 2.658 20 5 FFBDLO C[C@@H](C(=O)NCCc1cn2ccccc2[nH+]1)c1ccc([N+](=O)[O-])cc1F ZINC000182505310 509274463 /nfs/dbraw/zinc/27/44/63/509274463.db2.gz QTMXBQJWYKRREA-GFCCVEGCSA-N 1 2 356.357 2.844 20 5 FFBDLO COc1c(C)c[nH+]c(CN(C)C(=O)CN(C)c2ccccc2[N+](=O)[O-])c1C ZINC000172913688 509307063 /nfs/dbraw/zinc/30/70/63/509307063.db2.gz VIYPMRGHQSGBPX-UHFFFAOYSA-N 1 2 372.425 2.710 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000162910708 509318295 /nfs/dbraw/zinc/31/82/95/509318295.db2.gz KWRFOZLXIOPJGE-MRXNPFEDSA-N 1 2 362.430 2.622 20 5 FFBDLO CC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000179596939 509529258 /nfs/dbraw/zinc/52/92/58/509529258.db2.gz QGWAVSCCVJTLAJ-HNNXBMFYSA-N 1 2 364.423 2.864 20 5 FFBDLO CC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000179596939 509529261 /nfs/dbraw/zinc/52/92/61/509529261.db2.gz QGWAVSCCVJTLAJ-HNNXBMFYSA-N 1 2 364.423 2.864 20 5 FFBDLO O=[N+]([O-])c1cc(C[S@](=O)Cc2cn3ccccc3[nH+]2)c2c(c1)COCO2 ZINC000176544380 509573550 /nfs/dbraw/zinc/57/35/50/509573550.db2.gz DOJMNBZIBHUNJJ-SANMLTNESA-N 1 2 373.390 2.558 20 5 FFBDLO CC(C)[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1nc(C2CC2)no1 ZINC000179832269 509641006 /nfs/dbraw/zinc/64/10/06/509641006.db2.gz IDCNASDUFFMYHG-HNNXBMFYSA-N 1 2 359.386 2.781 20 5 FFBDLO Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000176798349 509696785 /nfs/dbraw/zinc/69/67/85/509696785.db2.gz GGZGLLQIXPRBLM-UHFFFAOYSA-N 1 2 366.381 2.677 20 5 FFBDLO Cc1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000176801080 509698105 /nfs/dbraw/zinc/69/81/05/509698105.db2.gz XVIDVDPJIVKDGA-UHFFFAOYSA-N 1 2 366.381 2.677 20 5 FFBDLO COc1ccc(OCC[N@H+](C)Cc2ncc(Cl)n2C)c([N+](=O)[O-])c1 ZINC000183289563 509699746 /nfs/dbraw/zinc/69/97/46/509699746.db2.gz YPOIXQXUCOGOBH-UHFFFAOYSA-N 1 2 354.794 2.501 20 5 FFBDLO COc1ccc(OCC[N@@H+](C)Cc2ncc(Cl)n2C)c([N+](=O)[O-])c1 ZINC000183289563 509699749 /nfs/dbraw/zinc/69/97/49/509699749.db2.gz YPOIXQXUCOGOBH-UHFFFAOYSA-N 1 2 354.794 2.501 20 5 FFBDLO Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000176804079 509700755 /nfs/dbraw/zinc/70/07/55/509700755.db2.gz FOHOMDGJUIDHMK-UHFFFAOYSA-N 1 2 352.354 2.748 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000183303814 509706393 /nfs/dbraw/zinc/70/63/93/509706393.db2.gz ZJOJGDRSGQJMPA-UHFFFAOYSA-N 1 2 371.412 2.929 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCc4ccccc4[C@@H]3CO)n2)cc1 ZINC000268146214 509779804 /nfs/dbraw/zinc/77/98/04/509779804.db2.gz QNBLFVUMEAGWLO-KRWDZBQOSA-N 1 2 366.377 2.737 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCc4ccccc4[C@@H]3CO)n2)cc1 ZINC000268146214 509779808 /nfs/dbraw/zinc/77/98/08/509779808.db2.gz QNBLFVUMEAGWLO-KRWDZBQOSA-N 1 2 366.377 2.737 20 5 FFBDLO CN(C(=O)C[N@@H+]1CC[C@]2(C1)OCc1ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000186687060 509852930 /nfs/dbraw/zinc/85/29/30/509852930.db2.gz FRQAZKWWQPBPQW-HXUWFJFHSA-N 1 2 367.405 2.689 20 5 FFBDLO CN(C(=O)C[N@H+]1CC[C@]2(C1)OCc1ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000186687060 509852938 /nfs/dbraw/zinc/85/29/38/509852938.db2.gz FRQAZKWWQPBPQW-HXUWFJFHSA-N 1 2 367.405 2.689 20 5 FFBDLO Cc1ccnc(Nc2ccc([NH+]3CCC(C(N)=O)CC3)cc2)c1[N+](=O)[O-] ZINC000265166802 509899185 /nfs/dbraw/zinc/89/91/85/509899185.db2.gz GFBKRHIIDMDCJT-UHFFFAOYSA-N 1 2 355.398 2.744 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000193578230 509972753 /nfs/dbraw/zinc/97/27/53/509972753.db2.gz SPNPDOZOHVGIPC-STQMWFEESA-N 1 2 373.413 2.533 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000193578230 509972760 /nfs/dbraw/zinc/97/27/60/509972760.db2.gz SPNPDOZOHVGIPC-STQMWFEESA-N 1 2 373.413 2.533 20 5 FFBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265325460 509992778 /nfs/dbraw/zinc/99/27/78/509992778.db2.gz SNRCYQRKDZOEOO-FSNWXROXSA-N 1 2 366.421 2.908 20 5 FFBDLO C[NH+](C)[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000265340646 510001793 /nfs/dbraw/zinc/00/17/93/510001793.db2.gz VJVBPUZNXSSRCK-INIZCTEOSA-N 1 2 363.364 2.835 20 5 FFBDLO CCc1cc(NCCCC(=O)N(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000194043525 510189081 /nfs/dbraw/zinc/18/90/81/510189081.db2.gz XZEIHESXLNWWNE-UHFFFAOYSA-N 1 2 357.414 2.895 20 5 FFBDLO O=C(NCCc1cn2ccccc2[nH+]1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184376500 510292595 /nfs/dbraw/zinc/29/25/95/510292595.db2.gz WBLXDHGKFVBNOL-UHFFFAOYSA-N 1 2 373.800 2.938 20 5 FFBDLO COc1cc(C[NH2+][C@H](C)c2nnnn2-c2ccccc2)c([N+](=O)[O-])cc1F ZINC000184408097 510309113 /nfs/dbraw/zinc/30/91/13/510309113.db2.gz LTXOJKHCZDDAMK-LLVKDONJSA-N 1 2 372.360 2.569 20 5 FFBDLO CC[C@@]1(CO)CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000187618694 510357553 /nfs/dbraw/zinc/35/75/53/510357553.db2.gz XTCYLCPGMWORGF-MRXNPFEDSA-N 1 2 355.822 2.671 20 5 FFBDLO CC[C@@]1(CO)CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000187618694 510357561 /nfs/dbraw/zinc/35/75/61/510357561.db2.gz XTCYLCPGMWORGF-MRXNPFEDSA-N 1 2 355.822 2.671 20 5 FFBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000178072444 510416256 /nfs/dbraw/zinc/41/62/56/510416256.db2.gz GQMKATGUQRUQGH-UHFFFAOYSA-N 1 2 351.366 2.747 20 5 FFBDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000178166319 510467665 /nfs/dbraw/zinc/46/76/65/510467665.db2.gz BFOPTFGANNPEAX-UHFFFAOYSA-N 1 2 353.382 2.655 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(Nc2ccc([NH+]3CCC(C(N)=O)CC3)cc2)n1 ZINC000178202211 510486876 /nfs/dbraw/zinc/48/68/76/510486876.db2.gz QBEWITCZHXDWDS-UHFFFAOYSA-N 1 2 355.398 2.744 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCS[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000246458632 510500424 /nfs/dbraw/zinc/50/04/24/510500424.db2.gz WCMCBGPFZVDSFK-VXGBXAGGSA-N 1 2 353.444 2.758 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+]2CCS[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000246458632 510500432 /nfs/dbraw/zinc/50/04/32/510500432.db2.gz WCMCBGPFZVDSFK-VXGBXAGGSA-N 1 2 353.444 2.758 20 5 FFBDLO COc1cc([N+](=O)[O-])c(C(=O)NCc2ccn3cc[nH+]c3c2)cc1SC ZINC000178371979 510571264 /nfs/dbraw/zinc/57/12/64/510571264.db2.gz JCWRYPVNCDMXBL-UHFFFAOYSA-N 1 2 372.406 2.903 20 5 FFBDLO CCCO[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000181863105 510631828 /nfs/dbraw/zinc/63/18/28/510631828.db2.gz DMHXFUJQODIQQQ-MRXNPFEDSA-N 1 2 370.471 2.650 20 5 FFBDLO CCCO[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000181863105 510631835 /nfs/dbraw/zinc/63/18/35/510631835.db2.gz DMHXFUJQODIQQQ-MRXNPFEDSA-N 1 2 370.471 2.650 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000195307637 510774981 /nfs/dbraw/zinc/77/49/81/510774981.db2.gz DKVDPXVACYMKCZ-UHFFFAOYSA-N 1 2 355.394 2.988 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000195314692 510779094 /nfs/dbraw/zinc/77/90/94/510779094.db2.gz GXKJCFLIRUFCPP-GASCZTMLSA-N 1 2 351.447 2.535 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000195314692 510779102 /nfs/dbraw/zinc/77/91/02/510779102.db2.gz GXKJCFLIRUFCPP-GASCZTMLSA-N 1 2 351.447 2.535 20 5 FFBDLO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@]2(CCOC2)O1 ZINC000293946769 510907597 /nfs/dbraw/zinc/90/75/97/510907597.db2.gz BLYBYQYTJIISQL-NHYWBVRUSA-N 1 2 360.332 2.993 20 5 FFBDLO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@]2(CCOC2)O1 ZINC000293946769 510907601 /nfs/dbraw/zinc/90/76/01/510907601.db2.gz BLYBYQYTJIISQL-NHYWBVRUSA-N 1 2 360.332 2.993 20 5 FFBDLO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@]2(CCOC2)O1 ZINC000293946764 510907678 /nfs/dbraw/zinc/90/76/78/510907678.db2.gz BLYBYQYTJIISQL-IAQYHMDHSA-N 1 2 360.332 2.993 20 5 FFBDLO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@]2(CCOC2)O1 ZINC000293946764 510907682 /nfs/dbraw/zinc/90/76/82/510907682.db2.gz BLYBYQYTJIISQL-IAQYHMDHSA-N 1 2 360.332 2.993 20 5 FFBDLO Cc1cc(NC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)ccc1[N+](=O)[O-] ZINC000361651478 511074826 /nfs/dbraw/zinc/07/48/26/511074826.db2.gz HBBVDCCYFYPYMC-UHFFFAOYSA-N 1 2 352.354 2.806 20 5 FFBDLO Cc1cc(Cl)c(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000294637685 511127924 /nfs/dbraw/zinc/12/79/24/511127924.db2.gz AUVGCFUJIXSKFV-UHFFFAOYSA-N 1 2 360.801 2.914 20 5 FFBDLO C[C@]1(CCCO)CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000271416081 511196989 /nfs/dbraw/zinc/19/69/89/511196989.db2.gz XXQHZJSIHKUYJC-GOSISDBHSA-N 1 2 358.398 2.548 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000294974743 511240439 /nfs/dbraw/zinc/24/04/39/511240439.db2.gz TWXJZTHEAQNYGB-IEBWSBKVSA-N 1 2 368.393 2.564 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC(F)(F)[C@H](CO)C3)co2)cc1 ZINC000291730404 511314023 /nfs/dbraw/zinc/31/40/23/511314023.db2.gz JNQHLLCLPXAPAK-LBPRGKRZSA-N 1 2 353.325 2.699 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC(F)(F)[C@H](CO)C3)co2)cc1 ZINC000291730404 511314027 /nfs/dbraw/zinc/31/40/27/511314027.db2.gz JNQHLLCLPXAPAK-LBPRGKRZSA-N 1 2 353.325 2.699 20 5 FFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000280385177 511446848 /nfs/dbraw/zinc/44/68/48/511446848.db2.gz KCNTWOWNIJNGAF-SNUQEOBHSA-N 1 2 374.397 2.586 20 5 FFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000280385177 511446851 /nfs/dbraw/zinc/44/68/51/511446851.db2.gz KCNTWOWNIJNGAF-SNUQEOBHSA-N 1 2 374.397 2.586 20 5 FFBDLO COc1cc(-c2nc([C@H]3C[N@@H+](C(C)C)CCO3)no2)c([N+](=O)[O-])cc1F ZINC000295807923 511521421 /nfs/dbraw/zinc/52/14/21/511521421.db2.gz FMDNBDHOZAHGBF-CQSZACIVSA-N 1 2 366.349 2.574 20 5 FFBDLO COc1cc(-c2nc([C@H]3C[N@H+](C(C)C)CCO3)no2)c([N+](=O)[O-])cc1F ZINC000295807923 511521425 /nfs/dbraw/zinc/52/14/25/511521425.db2.gz FMDNBDHOZAHGBF-CQSZACIVSA-N 1 2 366.349 2.574 20 5 FFBDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc(F)ccc1[N+](=O)[O-] ZINC000363439922 511553004 /nfs/dbraw/zinc/55/30/04/511553004.db2.gz PLPGGTALOMUACL-UHFFFAOYSA-N 1 2 358.304 2.989 20 5 FFBDLO Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000284136805 511619757 /nfs/dbraw/zinc/61/97/57/511619757.db2.gz PWEJJVRRYSTAJS-INIZCTEOSA-N 1 2 366.368 2.552 20 5 FFBDLO CC(=O)NC[C@H]1CCCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000299394480 511620916 /nfs/dbraw/zinc/62/09/16/511620916.db2.gz QIYQFZMFTZBRAN-OAHLLOKOSA-N 1 2 369.425 2.713 20 5 FFBDLO Cn1ccnc1C[NH+]1CCC(c2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000349862906 511675762 /nfs/dbraw/zinc/67/57/62/511675762.db2.gz WQEMYNRMPQRZBH-UHFFFAOYSA-N 1 2 368.397 2.758 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1N(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1(C)C ZINC000296329099 511702230 /nfs/dbraw/zinc/70/22/30/511702230.db2.gz PBYMSGFPCABKRP-MRXNPFEDSA-N 1 2 355.398 2.801 20 5 FFBDLO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000274093107 511716645 /nfs/dbraw/zinc/71/66/45/511716645.db2.gz ITRLYGUWQIKZHI-MRXNPFEDSA-N 1 2 364.423 2.864 20 5 FFBDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000274093107 511716653 /nfs/dbraw/zinc/71/66/53/511716653.db2.gz ITRLYGUWQIKZHI-MRXNPFEDSA-N 1 2 364.423 2.864 20 5 FFBDLO CC(C)(C)OC(=O)Cc1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000274198693 511750186 /nfs/dbraw/zinc/75/01/86/511750186.db2.gz NBBRKQSPSGYLJL-UHFFFAOYSA-N 1 2 371.353 2.715 20 5 FFBDLO Cc1cc(OCC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000281477084 511861898 /nfs/dbraw/zinc/86/18/98/511861898.db2.gz SPHIEMDYXBYOLS-SUMWQHHRSA-N 1 2 358.398 2.588 20 5 FFBDLO C[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2C1 ZINC000366277587 511936566 /nfs/dbraw/zinc/93/65/66/511936566.db2.gz HIICGBQRYZKZAW-UHFFFAOYSA-N 1 2 367.814 2.994 20 5 FFBDLO C[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2C1 ZINC000366277587 511936573 /nfs/dbraw/zinc/93/65/73/511936573.db2.gz HIICGBQRYZKZAW-UHFFFAOYSA-N 1 2 367.814 2.994 20 5 FFBDLO Cc1[nH+]cccc1Cc1noc(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000351225132 511990303 /nfs/dbraw/zinc/99/03/03/511990303.db2.gz DARVYPDQZDKCEQ-UHFFFAOYSA-N 1 2 368.349 2.634 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCn2c(Br)cnc2C1 ZINC000375664603 512443854 /nfs/dbraw/zinc/44/38/54/512443854.db2.gz OBOAEAXGMVFYPD-UHFFFAOYSA-N 1 2 367.203 2.578 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCn2c(Br)cnc2C1 ZINC000375664603 512443856 /nfs/dbraw/zinc/44/38/56/512443856.db2.gz OBOAEAXGMVFYPD-UHFFFAOYSA-N 1 2 367.203 2.578 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC2CC1(C(F)(F)F)C2 ZINC000411121923 512477661 /nfs/dbraw/zinc/47/76/61/512477661.db2.gz MHUWNNQMLJGFJL-UHFFFAOYSA-N 1 2 366.299 2.947 20 5 FFBDLO CC[C@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000378264019 512664512 /nfs/dbraw/zinc/66/45/12/512664512.db2.gz JIWYLKHLOMVJRB-HOCLYGCPSA-N 1 2 357.414 2.979 20 5 FFBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000374378379 512801871 /nfs/dbraw/zinc/80/18/71/512801871.db2.gz RIPJNFHVQRSJHL-GUYCJALGSA-N 1 2 372.450 2.644 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000370446322 512939321 /nfs/dbraw/zinc/93/93/21/512939321.db2.gz CJNBRXUDJAQOAW-UHFFFAOYSA-N 1 2 352.350 2.719 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000374874137 513049233 /nfs/dbraw/zinc/04/92/33/513049233.db2.gz IQDQLXVSCGQDOH-IBGZPJMESA-N 1 2 373.384 2.574 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000374874137 513049237 /nfs/dbraw/zinc/04/92/37/513049237.db2.gz IQDQLXVSCGQDOH-IBGZPJMESA-N 1 2 373.384 2.574 20 5 FFBDLO COC(=O)Cc1ccc(NCc2[nH+]ccn2CC(F)(F)F)c([N+](=O)[O-])c1 ZINC000450307487 513134909 /nfs/dbraw/zinc/13/49/09/513134909.db2.gz GUUDBFHSVZPSOM-UHFFFAOYSA-N 1 2 372.303 2.681 20 5 FFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000428697982 513167897 /nfs/dbraw/zinc/16/78/97/513167897.db2.gz CNSJCRCVYDBBRZ-AWEZNQCLSA-N 1 2 352.456 2.947 20 5 FFBDLO CC(C)(CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)OCC1CC1 ZINC000412622859 513194216 /nfs/dbraw/zinc/19/42/16/513194216.db2.gz JTSYJHOAKIDKEN-UHFFFAOYSA-N 1 2 358.398 2.716 20 5 FFBDLO CCN1CCN(c2nccc3c2cccc3[N+](=O)[O-])C[C@H]1c1[nH]cc[nH+]1 ZINC000450493777 513220477 /nfs/dbraw/zinc/22/04/77/513220477.db2.gz GJYGHQRJWQKCPR-INIZCTEOSA-N 1 2 352.398 2.749 20 5 FFBDLO Cc1cccnc1CCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000450740365 513320697 /nfs/dbraw/zinc/32/06/97/513320697.db2.gz VAZRTTUSWJDJMV-UHFFFAOYSA-N 1 2 356.426 2.785 20 5 FFBDLO CCO[C@@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@H]1C ZINC000450745655 513322685 /nfs/dbraw/zinc/32/26/85/513322685.db2.gz POMBGWTVKNMJLX-DNVCBOLYSA-N 1 2 363.458 2.678 20 5 FFBDLO C[C@@](CO)(NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CCCCC1 ZINC000450860676 513370944 /nfs/dbraw/zinc/37/09/44/513370944.db2.gz OAFDNJAWYDOGQH-IBGZPJMESA-N 1 2 372.425 2.842 20 5 FFBDLO O=C(C1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1)N1CCCC1 ZINC000413033629 513396990 /nfs/dbraw/zinc/39/69/90/513396990.db2.gz LDMNEIOFFFUXSJ-UHFFFAOYSA-N 1 2 354.410 2.982 20 5 FFBDLO Cc1cc(C)nc(N2CCN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)CC2)n1 ZINC000413244860 513545056 /nfs/dbraw/zinc/54/50/56/513545056.db2.gz NJPHCGXXORFUCW-UHFFFAOYSA-N 1 2 364.409 2.876 20 5 FFBDLO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1(F)F ZINC000451170954 513566091 /nfs/dbraw/zinc/56/60/91/513566091.db2.gz LWZJKIJDMBGZCJ-LLVKDONJSA-N 1 2 350.325 2.898 20 5 FFBDLO CC[C@@H](C)[C@](C)(O)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447818706 513581260 /nfs/dbraw/zinc/58/12/60/513581260.db2.gz YJWXHNJRXVVLPI-RDTXWAMCSA-N 1 2 351.447 2.636 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(OC2CCC2)CC1 ZINC000419294827 513767066 /nfs/dbraw/zinc/76/70/66/513767066.db2.gz BTZCILPBMPIHCO-UHFFFAOYSA-N 1 2 363.414 2.575 20 5 FFBDLO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1O ZINC000436872646 514016212 /nfs/dbraw/zinc/01/62/12/514016212.db2.gz UTDLBNDLRMWOJN-OAHLLOKOSA-N 1 2 359.382 2.850 20 5 FFBDLO COc1ccc(C[NH2+][C@](C)(C(N)=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000426797708 514044734 /nfs/dbraw/zinc/04/47/34/514044734.db2.gz CFPCRXXOTZRUPB-KRWDZBQOSA-N 1 2 363.801 2.747 20 5 FFBDLO COc1cc(C[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)ccc1[N+](=O)[O-] ZINC000426806058 514046290 /nfs/dbraw/zinc/04/62/90/514046290.db2.gz ICVVKIANNGEZBN-UHFFFAOYSA-N 1 2 357.414 2.526 20 5 FFBDLO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1O ZINC000436957056 514049726 /nfs/dbraw/zinc/04/97/26/514049726.db2.gz RJKBGFJBWIIGHY-UHFFFAOYSA-N 1 2 355.394 2.826 20 5 FFBDLO Cc1c(C[N@H+](CCN2CCOCC2)Cc2ccco2)cccc1[N+](=O)[O-] ZINC000452046505 514158767 /nfs/dbraw/zinc/15/87/67/514158767.db2.gz IKQHHJWBHMVREJ-UHFFFAOYSA-N 1 2 359.426 2.831 20 5 FFBDLO Cc1c(C[N@@H+](CCN2CCOCC2)Cc2ccco2)cccc1[N+](=O)[O-] ZINC000452046505 514158777 /nfs/dbraw/zinc/15/87/77/514158777.db2.gz IKQHHJWBHMVREJ-UHFFFAOYSA-N 1 2 359.426 2.831 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc3c2C[N@H+](C)C3)c1C ZINC000427780439 514312302 /nfs/dbraw/zinc/31/23/02/514312302.db2.gz NOIHGLMSYGHYDO-UHFFFAOYSA-N 1 2 361.423 2.958 20 5 FFBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc3c2C[N@@H+](C)C3)c1C ZINC000427780439 514312306 /nfs/dbraw/zinc/31/23/06/514312306.db2.gz NOIHGLMSYGHYDO-UHFFFAOYSA-N 1 2 361.423 2.958 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2ccc(OC)cn2)CC1 ZINC000449764518 514346848 /nfs/dbraw/zinc/34/68/48/514346848.db2.gz BTOSHEBXWRWYHA-UHFFFAOYSA-N 1 2 372.425 2.719 20 5 FFBDLO COc1cc(C(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)cc([N+](=O)[O-])c1OC ZINC000452451616 514362481 /nfs/dbraw/zinc/36/24/81/514362481.db2.gz LRVCQAFNMPFQQN-HNNXBMFYSA-N 1 2 374.397 2.569 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2c(nnn2-c2ccccc2)C1 ZINC000433201189 514417900 /nfs/dbraw/zinc/41/79/00/514417900.db2.gz VIMJRVLPASKRIR-UHFFFAOYSA-N 1 2 365.393 2.742 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2c(nnn2-c2ccccc2)C1 ZINC000433201189 514417906 /nfs/dbraw/zinc/41/79/06/514417906.db2.gz VIMJRVLPASKRIR-UHFFFAOYSA-N 1 2 365.393 2.742 20 5 FFBDLO O=C(C[N@H+]1CC[C@@H](O)CC12CCC2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420993036 514428966 /nfs/dbraw/zinc/42/89/66/514428966.db2.gz LQSQFXVEQORBKK-GFCCVEGCSA-N 1 2 353.806 2.566 20 5 FFBDLO O=C(C[N@@H+]1CC[C@@H](O)CC12CCC2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420993036 514428973 /nfs/dbraw/zinc/42/89/73/514428973.db2.gz LQSQFXVEQORBKK-GFCCVEGCSA-N 1 2 353.806 2.566 20 5 FFBDLO COc1ccc(-c2ccc(C[N@@H+]3CCN(C)C(=O)[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000428456194 514479559 /nfs/dbraw/zinc/47/95/59/514479559.db2.gz HSJXGRDGKQFENZ-LBPRGKRZSA-N 1 2 359.382 2.526 20 5 FFBDLO COc1ccc(-c2ccc(C[N@H+]3CCN(C)C(=O)[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000428456194 514479562 /nfs/dbraw/zinc/47/95/62/514479562.db2.gz HSJXGRDGKQFENZ-LBPRGKRZSA-N 1 2 359.382 2.526 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(-n3cc[nH+]c3)c(F)c2)n1 ZINC000439102722 514493657 /nfs/dbraw/zinc/49/36/57/514493657.db2.gz RCJMHKUYRZGVHY-UHFFFAOYSA-N 1 2 371.328 2.713 20 5 FFBDLO NC(=O)c1cccc(NCc2cc[nH+]c(N3CCCCC3)c2)c1[N+](=O)[O-] ZINC000439103840 514494080 /nfs/dbraw/zinc/49/40/80/514494080.db2.gz XJBWMJBHBAULFB-UHFFFAOYSA-N 1 2 355.398 2.691 20 5 FFBDLO COc1ccc(CNC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cc1[N+](=O)[O-] ZINC000475030032 514528637 /nfs/dbraw/zinc/52/86/37/514528637.db2.gz KGDQTCZPBJJKTQ-ZDUSSCGKSA-N 1 2 372.425 2.871 20 5 FFBDLO COc1ccc(CNC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cc1[N+](=O)[O-] ZINC000475030032 514528645 /nfs/dbraw/zinc/52/86/45/514528645.db2.gz KGDQTCZPBJJKTQ-ZDUSSCGKSA-N 1 2 372.425 2.871 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c([N+](=O)[O-])c1 ZINC000470934387 514678954 /nfs/dbraw/zinc/67/89/54/514678954.db2.gz VZRPRWUHNUKYJP-KOLCDFICSA-N 1 2 361.320 2.815 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c([N+](=O)[O-])c1 ZINC000470934387 514678946 /nfs/dbraw/zinc/67/89/46/514678946.db2.gz VZRPRWUHNUKYJP-KOLCDFICSA-N 1 2 361.320 2.815 20 5 FFBDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000475757793 514797097 /nfs/dbraw/zinc/79/70/97/514797097.db2.gz UZGJULRZTZMMFX-ZDUSSCGKSA-N 1 2 363.849 2.861 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1CSc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000476468831 515060225 /nfs/dbraw/zinc/06/02/25/515060225.db2.gz DUAZTGVPWCXFEE-UHFFFAOYSA-N 1 2 367.394 2.750 20 5 FFBDLO C[C@@H]1C[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000456347505 515115217 /nfs/dbraw/zinc/11/52/17/515115217.db2.gz DQJWTZAQIDUIDB-OCCSQVGLSA-N 1 2 355.398 2.827 20 5 FFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000456354030 515121999 /nfs/dbraw/zinc/12/19/99/515121999.db2.gz NJGBFKQNCQQNDQ-GFCCVEGCSA-N 1 2 369.381 2.616 20 5 FFBDLO Cc1cn2cc(NS(=O)(=O)c3c(C)cc([N+](=O)[O-])cc3C)ccc2[nH+]1 ZINC000481029403 515180251 /nfs/dbraw/zinc/18/02/51/515180251.db2.gz YGKFUOOCCJSPDC-UHFFFAOYSA-N 1 2 360.395 2.969 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCc1cccc2c1OCO2 ZINC000472351451 515239990 /nfs/dbraw/zinc/23/99/90/515239990.db2.gz SKNCJMGTKHIXEO-UHFFFAOYSA-N 1 2 371.393 2.768 20 5 FFBDLO COCCOC1C[NH+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000499232378 515248458 /nfs/dbraw/zinc/24/84/58/515248458.db2.gz XHHKZKYLOHTBFW-UHFFFAOYSA-N 1 2 362.382 2.711 20 5 FFBDLO Cc1nn(C)c(C(=O)Nc2c[nH+]c(N3CCCC[C@H]3C)c(C)c2)c1[N+](=O)[O-] ZINC000504857231 515394796 /nfs/dbraw/zinc/39/47/96/515394796.db2.gz IZDGXMBOCGBZJT-GFCCVEGCSA-N 1 2 372.429 2.971 20 5 FFBDLO COC(=O)[C@H]1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1C ZINC000468747346 515501537 /nfs/dbraw/zinc/50/15/37/515501537.db2.gz DIMCWUKCPGEWAT-WFASDCNBSA-N 1 2 356.382 2.748 20 5 FFBDLO CC(C)[C@@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)c1[nH]cc[nH+]1 ZINC000473292097 515567554 /nfs/dbraw/zinc/56/75/54/515567554.db2.gz BHULXLDCTDUOHF-OAHLLOKOSA-N 1 2 355.354 2.699 20 5 FFBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000473354937 515585875 /nfs/dbraw/zinc/58/58/75/515585875.db2.gz GVHKINISTWLXQB-UHFFFAOYSA-N 1 2 359.357 2.818 20 5 FFBDLO C[C@H](c1nccs1)[NH+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000463738093 515597346 /nfs/dbraw/zinc/59/73/46/515597346.db2.gz OVSHOBLMQDYBIO-GFCCVEGCSA-N 1 2 370.438 2.878 20 5 FFBDLO CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000493206800 515608404 /nfs/dbraw/zinc/60/84/04/515608404.db2.gz RTCJMARHMUEFBZ-MRXNPFEDSA-N 1 2 352.350 2.885 20 5 FFBDLO CCOC(=O)c1noc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000459514175 515609968 /nfs/dbraw/zinc/60/99/68/515609968.db2.gz OYMWYUPVCCSTFS-CYBMUJFWSA-N 1 2 360.370 2.534 20 5 FFBDLO CCOC(=O)c1noc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000459514175 515609979 /nfs/dbraw/zinc/60/99/79/515609979.db2.gz OYMWYUPVCCSTFS-CYBMUJFWSA-N 1 2 360.370 2.534 20 5 FFBDLO O=[N+]([O-])c1ccccc1CS(=O)(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000463853823 515641937 /nfs/dbraw/zinc/64/19/37/515641937.db2.gz JEEQNJGWMVGOJI-UHFFFAOYSA-N 1 2 372.406 2.605 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+](CCO)Cc3cccc(F)c3)n2)c1 ZINC000494233478 515778737 /nfs/dbraw/zinc/77/87/37/515778737.db2.gz ITRKQYXPZQBVIA-UHFFFAOYSA-N 1 2 372.356 2.778 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+](CCO)Cc3cccc(F)c3)n2)c1 ZINC000494233478 515778745 /nfs/dbraw/zinc/77/87/45/515778745.db2.gz ITRKQYXPZQBVIA-UHFFFAOYSA-N 1 2 372.356 2.778 20 5 FFBDLO C[C@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000473884368 515790498 /nfs/dbraw/zinc/79/04/98/515790498.db2.gz HUUSKUBWPUIMFV-NEPJUHHUSA-N 1 2 366.805 2.665 20 5 FFBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN(c3c[nH+]ccc3C)CC2)c1 ZINC000500682849 515814690 /nfs/dbraw/zinc/81/46/90/515814690.db2.gz QYWDAGDEMCNXEJ-UHFFFAOYSA-N 1 2 372.450 2.983 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)CCOCc1ccccc1 ZINC000464852277 515990434 /nfs/dbraw/zinc/99/04/34/515990434.db2.gz RAMARODYGWUGQN-UHFFFAOYSA-N 1 2 357.410 2.990 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)CCOCc1ccccc1 ZINC000464852277 515990441 /nfs/dbraw/zinc/99/04/41/515990441.db2.gz RAMARODYGWUGQN-UHFFFAOYSA-N 1 2 357.410 2.990 20 5 FFBDLO CN(C)c1ccc(CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000487858514 516009686 /nfs/dbraw/zinc/00/96/86/516009686.db2.gz MQDNIVZAEXGWLJ-UHFFFAOYSA-N 1 2 357.414 2.790 20 5 FFBDLO CC(C)[NH+]1CC(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000457714839 516090870 /nfs/dbraw/zinc/09/08/70/516090870.db2.gz DJVZETCYFZMWKB-UHFFFAOYSA-N 1 2 369.421 2.996 20 5 FFBDLO CC(C)[NH+]1CC(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000457723358 516098493 /nfs/dbraw/zinc/09/84/93/516098493.db2.gz OPVXDHCCLAYFJZ-UHFFFAOYSA-N 1 2 371.387 2.782 20 5 FFBDLO Cc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c4ncccc34)CC2)no1 ZINC000501912570 516264949 /nfs/dbraw/zinc/26/49/49/516264949.db2.gz UQQVVOZEIZOCRI-UHFFFAOYSA-N 1 2 353.382 2.762 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@](O)(C(F)(F)F)CC3)nc2c1 ZINC000512542487 516301722 /nfs/dbraw/zinc/30/17/22/516301722.db2.gz PUXXUGDCMBSUHA-AWEZNQCLSA-N 1 2 358.320 2.750 20 5 FFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@](O)(C(F)(F)F)CC3)nc2c1 ZINC000512542487 516301727 /nfs/dbraw/zinc/30/17/27/516301727.db2.gz PUXXUGDCMBSUHA-AWEZNQCLSA-N 1 2 358.320 2.750 20 5 FFBDLO O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000557714426 516400231 /nfs/dbraw/zinc/40/02/31/516400231.db2.gz NJMCIDCYRPBUQH-UHFFFAOYSA-N 1 2 369.406 2.965 20 5 FFBDLO COc1cc(CNc2ccc(Cn3cc[nH+]c3)cn2)c([N+](=O)[O-])cc1OC ZINC000513076755 516463790 /nfs/dbraw/zinc/46/37/90/516463790.db2.gz QICPNZKJGRRSSD-UHFFFAOYSA-N 1 2 369.381 2.864 20 5 FFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000517856892 516470309 /nfs/dbraw/zinc/47/03/09/516470309.db2.gz SHBJAROXCIXLFD-AWEZNQCLSA-N 1 2 370.409 2.944 20 5 FFBDLO CC(C)(C(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000523529095 516497137 /nfs/dbraw/zinc/49/71/37/516497137.db2.gz CBBPGXBBXILWBG-UHFFFAOYSA-N 1 2 356.426 2.764 20 5 FFBDLO COc1ccc(CNC(=O)Cn2c(C)[nH+]c3ccccc32)cc1[N+](=O)[O-] ZINC000513173070 516502401 /nfs/dbraw/zinc/50/24/01/516502401.db2.gz XKPAFNKKLDVKHM-UHFFFAOYSA-N 1 2 354.366 2.578 20 5 FFBDLO O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000531664921 516586280 /nfs/dbraw/zinc/58/62/80/516586280.db2.gz JTCJKEMISUDVDZ-HOTGVXAUSA-N 1 2 373.409 2.714 20 5 FFBDLO CC(C)(C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000524143271 516652289 /nfs/dbraw/zinc/65/22/89/516652289.db2.gz YRBOJJAWRXJYEO-UHFFFAOYSA-N 1 2 354.410 2.616 20 5 FFBDLO COc1ccc(O)c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000532088030 516793482 /nfs/dbraw/zinc/79/34/82/516793482.db2.gz HSRQNSIYWQDEHT-UHFFFAOYSA-N 1 2 354.322 2.747 20 5 FFBDLO COc1ccc(C[N@@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000555590708 516999122 /nfs/dbraw/zinc/99/91/22/516999122.db2.gz BCYCUQIBXDTVDQ-SFHVURJKSA-N 1 2 369.421 2.537 20 5 FFBDLO COc1ccc(C[N@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000555590708 516999134 /nfs/dbraw/zinc/99/91/34/516999134.db2.gz BCYCUQIBXDTVDQ-SFHVURJKSA-N 1 2 369.421 2.537 20 5 FFBDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000537171330 517066195 /nfs/dbraw/zinc/06/61/95/517066195.db2.gz ARSCPMUOSAKIIS-CYBMUJFWSA-N 1 2 360.389 2.591 20 5 FFBDLO CCn1c2ccccc2[nH+]c1CCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000541577997 517121815 /nfs/dbraw/zinc/12/18/15/517121815.db2.gz NJLJCFRFBNVXOH-UHFFFAOYSA-N 1 2 362.393 2.984 20 5 FFBDLO C[N@@H+](Cc1c(F)cccc1F)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000559366634 517215827 /nfs/dbraw/zinc/21/58/27/517215827.db2.gz IIMDRDISULHPGF-CYBMUJFWSA-N 1 2 352.337 2.745 20 5 FFBDLO C[N@H+](Cc1c(F)cccc1F)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000559366634 517215831 /nfs/dbraw/zinc/21/58/31/517215831.db2.gz IIMDRDISULHPGF-CYBMUJFWSA-N 1 2 352.337 2.745 20 5 FFBDLO C[N@@H+](Cc1c(F)cccc1F)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000559364888 517216571 /nfs/dbraw/zinc/21/65/71/517216571.db2.gz OOZMPNLTFNAZDB-LBPRGKRZSA-N 1 2 352.337 2.745 20 5 FFBDLO C[N@H+](Cc1c(F)cccc1F)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000559364888 517216579 /nfs/dbraw/zinc/21/65/79/517216579.db2.gz OOZMPNLTFNAZDB-LBPRGKRZSA-N 1 2 352.337 2.745 20 5 FFBDLO CCC(CC)([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(=O)OC ZINC000548934475 517312028 /nfs/dbraw/zinc/31/20/28/517312028.db2.gz GXKPVBZIQHIWLC-UHFFFAOYSA-N 1 2 351.403 2.553 20 5 FFBDLO Cc1cccn2cc(CC(=O)N(C)CCc3cccc([N+](=O)[O-])c3)[nH+]c12 ZINC000549090511 517392586 /nfs/dbraw/zinc/39/25/86/517392586.db2.gz RYTPMSGHVWICAS-UHFFFAOYSA-N 1 2 352.394 2.795 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2nc(C)cc(C)n2)CC1 ZINC000542177187 517422780 /nfs/dbraw/zinc/42/27/80/517422780.db2.gz OCCACIBUSWYQJN-UHFFFAOYSA-N 1 2 371.441 2.723 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C1CC1 ZINC000552932178 517446896 /nfs/dbraw/zinc/44/68/96/517446896.db2.gz QBYNWJRIXKXETJ-CYBMUJFWSA-N 1 2 366.324 2.811 20 5 FFBDLO CN(c1ccccc1)c1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)cc1[N+](=O)[O-] ZINC000549425942 517558937 /nfs/dbraw/zinc/55/89/37/517558937.db2.gz SWHGRXWEFJGQQD-HDICACEKSA-N 1 2 369.421 2.962 20 5 FFBDLO CN(c1ccccc1)c1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)cc1[N+](=O)[O-] ZINC000549425942 517558946 /nfs/dbraw/zinc/55/89/46/517558946.db2.gz SWHGRXWEFJGQQD-HDICACEKSA-N 1 2 369.421 2.962 20 5 FFBDLO O=[N+]([O-])c1ccccc1NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000521564542 517777234 /nfs/dbraw/zinc/77/72/34/517777234.db2.gz FZHYLJJHNUCNDA-UHFFFAOYSA-N 1 2 357.410 2.918 20 5 FFBDLO O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2cc[nH+]c3ccncc32)CC1 ZINC000556995655 517795691 /nfs/dbraw/zinc/79/56/91/517795691.db2.gz KMESCYHXZUJDNO-UHFFFAOYSA-N 1 2 363.377 2.500 20 5 FFBDLO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000538967635 517869758 /nfs/dbraw/zinc/86/97/58/517869758.db2.gz FOZBEDZZRNBKHG-UHFFFAOYSA-N 1 2 355.394 2.826 20 5 FFBDLO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000534529791 517931225 /nfs/dbraw/zinc/93/12/25/517931225.db2.gz WNAZXUZKDOJGGE-UHFFFAOYSA-N 1 2 359.451 2.933 20 5 FFBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC2(CCC2)O1 ZINC000522060336 517971712 /nfs/dbraw/zinc/97/17/12/517971712.db2.gz HZGXMXCDEQUBSF-CYBMUJFWSA-N 1 2 356.382 2.564 20 5 FFBDLO O=C(NCCCCn1cc[nH+]c1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000530949684 518065501 /nfs/dbraw/zinc/06/55/01/518065501.db2.gz QYFGLTWUVVQPOX-UHFFFAOYSA-N 1 2 367.203 2.764 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000575839974 518303265 /nfs/dbraw/zinc/30/32/65/518303265.db2.gz CTVDRSXVHLOIQD-FUHWJXTLSA-N 1 2 359.426 2.875 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000575839974 518303271 /nfs/dbraw/zinc/30/32/71/518303271.db2.gz CTVDRSXVHLOIQD-FUHWJXTLSA-N 1 2 359.426 2.875 20 5 FFBDLO Cc1c[nH+]ccc1CCNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000584729483 518450106 /nfs/dbraw/zinc/45/01/06/518450106.db2.gz AQMGHSNDXVGHOW-UHFFFAOYSA-N 1 2 360.389 2.929 20 5 FFBDLO COc1nc(C)cc(C)c1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000576301206 518525100 /nfs/dbraw/zinc/52/51/00/518525100.db2.gz MKAPZUKEFOEMTE-UHFFFAOYSA-N 1 2 356.426 2.937 20 5 FFBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000585698172 518564352 /nfs/dbraw/zinc/56/43/52/518564352.db2.gz KFRJLARUXXXBLV-UHFFFAOYSA-N 1 2 368.231 2.586 20 5 FFBDLO O=C(Cc1c[nH+]cn1Cc1ccccc1)NCc1ccccc1[N+](=O)[O-] ZINC000573254448 518578232 /nfs/dbraw/zinc/57/82/32/518578232.db2.gz GWNRIZUJVZFSQE-UHFFFAOYSA-N 1 2 350.378 2.699 20 5 FFBDLO C[N@@H+]1Cc2cccc(NC(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)c2C1 ZINC000582222463 518644342 /nfs/dbraw/zinc/64/43/42/518644342.db2.gz MOWVOYLDJOLZSC-UHFFFAOYSA-N 1 2 355.350 2.564 20 5 FFBDLO C[N@H+]1Cc2cccc(NC(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)c2C1 ZINC000582222463 518644348 /nfs/dbraw/zinc/64/43/48/518644348.db2.gz MOWVOYLDJOLZSC-UHFFFAOYSA-N 1 2 355.350 2.564 20 5 FFBDLO COc1cc(C(=O)Nc2ccc3[nH]c(N(C)C)[nH+]c3c2)ccc1[N+](=O)[O-] ZINC000573745203 518814888 /nfs/dbraw/zinc/81/48/88/518814888.db2.gz KLTOMQCAORMGCI-UHFFFAOYSA-N 1 2 355.354 2.798 20 5 FFBDLO CC(C)[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H](O)C(F)(F)F ZINC000589161975 518934394 /nfs/dbraw/zinc/93/43/94/518934394.db2.gz CVRXHNRHQJSVMW-STQMWFEESA-N 1 2 374.319 2.682 20 5 FFBDLO Cc1cc(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)no1 ZINC000589310602 518978072 /nfs/dbraw/zinc/97/80/72/518978072.db2.gz YLFMLZKEKAPCPJ-UHFFFAOYSA-N 1 2 373.150 2.786 20 5 FFBDLO O=[N+]([O-])c1cc2c(nc1N1CC[NH+](Cc3ccncc3)CC1)CCCC2 ZINC000582962874 519010774 /nfs/dbraw/zinc/01/07/74/519010774.db2.gz WOIIZBZNYGFLSE-UHFFFAOYSA-N 1 2 353.426 2.586 20 5 FFBDLO O=C(Cc1c[nH+]cn1Cc1ccccc1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000577313229 519016229 /nfs/dbraw/zinc/01/62/29/519016229.db2.gz ZCFYNOHLYWTWAJ-UHFFFAOYSA-N 1 2 352.350 2.726 20 5 FFBDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc([N+](=O)[O-])cn3C)n2)C1 ZINC000589647593 519055250 /nfs/dbraw/zinc/05/52/50/519055250.db2.gz GEVDTBHICLFPOM-LLVKDONJSA-N 1 2 363.443 2.874 20 5 FFBDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc([N+](=O)[O-])cn3C)n2)C1 ZINC000589647593 519055255 /nfs/dbraw/zinc/05/52/55/519055255.db2.gz GEVDTBHICLFPOM-LLVKDONJSA-N 1 2 363.443 2.874 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](CC(=O)N1CCc2c1cccc2[N+](=O)[O-])C(F)(F)F ZINC000568529044 519087099 /nfs/dbraw/zinc/08/70/99/519087099.db2.gz WNZMWMHKBXZJHC-LLVKDONJSA-N 1 2 368.315 2.954 20 5 FFBDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000565786048 519133000 /nfs/dbraw/zinc/13/30/00/519133000.db2.gz ZKELKHONACLVLI-SECBINFHSA-N 1 2 356.304 2.832 20 5 FFBDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000565786048 519133005 /nfs/dbraw/zinc/13/30/05/519133005.db2.gz ZKELKHONACLVLI-SECBINFHSA-N 1 2 356.304 2.832 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](Nc1cnn(CC(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000574553708 519213764 /nfs/dbraw/zinc/21/37/64/519213764.db2.gz LXPWMIDAUAEAOX-HNNXBMFYSA-N 1 2 362.340 2.991 20 5 FFBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000577916059 519319556 /nfs/dbraw/zinc/31/95/56/519319556.db2.gz IFYNYXHFFYQFAF-UHFFFAOYSA-N 1 2 374.441 2.844 20 5 FFBDLO Cn1c[nH+]cc1CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000571934124 519354260 /nfs/dbraw/zinc/35/42/60/519354260.db2.gz OFNYXZULCPDOFY-UHFFFAOYSA-N 1 2 365.393 2.870 20 5 FFBDLO O=C(NC1CC1)c1ccc(C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000590969879 519464272 /nfs/dbraw/zinc/46/42/72/519464272.db2.gz FFGQULQASYCOKL-UHFFFAOYSA-N 1 2 367.405 2.750 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)CO ZINC000602884931 519948946 /nfs/dbraw/zinc/94/89/46/519948946.db2.gz WZAIDOJDLAMXNB-AWEZNQCLSA-N 1 2 352.822 2.831 20 5 FFBDLO O=C(C[NH+]1CCC(c2ccc(F)cn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000602904736 519963261 /nfs/dbraw/zinc/96/32/61/519963261.db2.gz NHJABKGJBIXLRT-UHFFFAOYSA-N 1 2 358.373 2.947 20 5 FFBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594484115 519994508 /nfs/dbraw/zinc/99/45/08/519994508.db2.gz SIRPLRRLOFLHRE-OLZOCXBDSA-N 1 2 373.862 2.543 20 5 FFBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594484115 519994521 /nfs/dbraw/zinc/99/45/21/519994521.db2.gz SIRPLRRLOFLHRE-OLZOCXBDSA-N 1 2 373.862 2.543 20 5 FFBDLO CCn1ccc(CN(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000616482848 520035669 /nfs/dbraw/zinc/03/56/69/520035669.db2.gz NWGPKXWKQXXBEH-UHFFFAOYSA-N 1 2 353.382 2.874 20 5 FFBDLO Cc1ccc(C[N@H+](C)CC(=O)Nc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000600213123 520129190 /nfs/dbraw/zinc/12/91/90/520129190.db2.gz QOCIGPHWDAADGT-UHFFFAOYSA-N 1 2 371.393 2.745 20 5 FFBDLO Cc1ccc(C[N@@H+](C)CC(=O)Nc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000600213123 520129199 /nfs/dbraw/zinc/12/91/99/520129199.db2.gz QOCIGPHWDAADGT-UHFFFAOYSA-N 1 2 371.393 2.745 20 5 FFBDLO CCC(C)(C)OC1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000600268936 520166920 /nfs/dbraw/zinc/16/69/20/520166920.db2.gz YENRUIIFZKHGHG-UHFFFAOYSA-N 1 2 358.398 2.810 20 5 FFBDLO Nc1nc(Nc2ccc(N3CCc4sccc4C3)[nH+]c2)ncc1[N+](=O)[O-] ZINC000609074258 520185825 /nfs/dbraw/zinc/18/58/25/520185825.db2.gz TWCHOMDSVARYFH-UHFFFAOYSA-N 1 2 369.410 2.560 20 5 FFBDLO C[C@@H]1C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC2(CCCC2)O1 ZINC000592195889 520256673 /nfs/dbraw/zinc/25/66/73/520256673.db2.gz VKFBYJQPVYWHKF-CQSZACIVSA-N 1 2 359.426 2.517 20 5 FFBDLO C[C@@H]1C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC2(CCCC2)O1 ZINC000592195889 520256687 /nfs/dbraw/zinc/25/66/87/520256687.db2.gz VKFBYJQPVYWHKF-CQSZACIVSA-N 1 2 359.426 2.517 20 5 FFBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(Cn2cc[nH+]c2CN2CCOCC2)c1 ZINC000603420112 520258767 /nfs/dbraw/zinc/25/87/67/520258767.db2.gz FUTFYFLDTRQJHD-UHFFFAOYSA-N 1 2 370.331 2.691 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H]3[C@@H](O)C(F)(F)F)n2)c1 ZINC000609483617 520326122 /nfs/dbraw/zinc/32/61/22/520326122.db2.gz JEVJYTCJQIPMQX-WCQYABFASA-N 1 2 372.303 2.532 20 5 FFBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H]3[C@@H](O)C(F)(F)F)n2)c1 ZINC000609483617 520326127 /nfs/dbraw/zinc/32/61/27/520326127.db2.gz JEVJYTCJQIPMQX-WCQYABFASA-N 1 2 372.303 2.532 20 5 FFBDLO C[C@@H]1CN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3)c[nH+]2)C[C@H](C)O1 ZINC000603665191 520338814 /nfs/dbraw/zinc/33/88/14/520338814.db2.gz QGXWVZDXHYQWTQ-OKILXGFUSA-N 1 2 370.409 2.533 20 5 FFBDLO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCc1ccc[nH+]c1N1CCCC1 ZINC000597941475 520340867 /nfs/dbraw/zinc/34/08/67/520340867.db2.gz QLYMBIKMYSLVLM-UHFFFAOYSA-N 1 2 358.373 2.588 20 5 FFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000597999894 520368132 /nfs/dbraw/zinc/36/81/32/520368132.db2.gz SSTXFJCZQYMWAA-STQMWFEESA-N 1 2 367.471 2.546 20 5 FFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000597999894 520368143 /nfs/dbraw/zinc/36/81/43/520368143.db2.gz SSTXFJCZQYMWAA-STQMWFEESA-N 1 2 367.471 2.546 20 5 FFBDLO O=C(C1CCCCC1)N1CC[NH+](CCNc2ccsc2[N+](=O)[O-])CC1 ZINC000609587386 520368600 /nfs/dbraw/zinc/36/86/00/520368600.db2.gz KDKIMSMSJDRWIP-UHFFFAOYSA-N 1 2 366.487 2.793 20 5 FFBDLO Cc1noc(C[NH+]2CCN(c3nccc4sccc43)CC2)c1[N+](=O)[O-] ZINC000595496865 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364.427 2.558 20 5 FFBDLO COc1cc(OC)c(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1F ZINC000601149590 520661484 /nfs/dbraw/zinc/66/14/84/520661484.db2.gz OMCHRJUURZGGOP-SFHVURJKSA-N 1 2 364.373 2.748 20 5 FFBDLO Cc1cc(-c2cc(CO)cc([N+](=O)[O-])c2)ccc1OCC[NH+]1CCOCC1 ZINC000592986054 520673614 /nfs/dbraw/zinc/67/36/14/520673614.db2.gz KREAYKZKMHYHPS-UHFFFAOYSA-N 1 2 372.421 2.774 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000595748622 520694935 /nfs/dbraw/zinc/69/49/35/520694935.db2.gz BLOWZGPUGGFJTH-APPDUMDISA-N 1 2 367.833 2.812 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000595748622 520694942 /nfs/dbraw/zinc/69/49/42/520694942.db2.gz BLOWZGPUGGFJTH-APPDUMDISA-N 1 2 367.833 2.812 20 5 FFBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1NCCc1cn2cccc(C)c2[nH+]1 ZINC000610468823 520703034 /nfs/dbraw/zinc/70/30/34/520703034.db2.gz GIYQVGNSPQDJMM-UHFFFAOYSA-N 1 2 353.382 2.565 20 5 FFBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000601256393 520709892 /nfs/dbraw/zinc/70/98/92/520709892.db2.gz AIKWUEBVDUOQAE-UHFFFAOYSA-N 1 2 355.394 2.825 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](OC(C)C)C2)c([N+](=O)[O-])c1 ZINC000593055976 520714185 /nfs/dbraw/zinc/71/41/85/520714185.db2.gz WKAOFMUHDGDNII-HIFRSBDPSA-N 1 2 365.430 2.820 20 5 FFBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](OC(C)C)C2)c([N+](=O)[O-])c1 ZINC000593055976 520714191 /nfs/dbraw/zinc/71/41/91/520714191.db2.gz WKAOFMUHDGDNII-HIFRSBDPSA-N 1 2 365.430 2.820 20 5 FFBDLO O=[N+]([O-])c1cnc(N2CCC[C@@H](n3cc[nH+]c3)C2)c(Br)c1 ZINC000610512460 520721489 /nfs/dbraw/zinc/72/14/89/520721489.db2.gz CRGWIWOEICYXMI-SNVBAGLBSA-N 1 2 352.192 2.790 20 5 FFBDLO CCn1cc(C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C(C)C)cn1 ZINC000593083201 520731276 /nfs/dbraw/zinc/73/12/76/520731276.db2.gz ZJKHUYMRRHRICA-UHFFFAOYSA-N 1 2 371.441 2.611 20 5 FFBDLO CCn1cc(C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C(C)C)cn1 ZINC000593083201 520731281 /nfs/dbraw/zinc/73/12/81/520731281.db2.gz ZJKHUYMRRHRICA-UHFFFAOYSA-N 1 2 371.441 2.611 20 5 FFBDLO O=C1CCCC12CC[NH+](Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000595806238 520739300 /nfs/dbraw/zinc/73/93/00/520739300.db2.gz JTPJJZGGBOHZFB-UHFFFAOYSA-N 1 2 356.382 2.980 20 5 FFBDLO O=C1CCCC12CC[NH+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)CC2 ZINC000595809234 520739513 /nfs/dbraw/zinc/73/95/13/520739513.db2.gz YHATUBRNIVTZNI-UHFFFAOYSA-N 1 2 356.382 2.980 20 5 FFBDLO COC(=O)c1ccnc(N2CCC(c3ccc(C)[nH+]c3)CC2)c1[N+](=O)[O-] ZINC000598610885 520742892 /nfs/dbraw/zinc/74/28/92/520742892.db2.gz KACUNIHRZVKKJZ-UHFFFAOYSA-N 1 2 356.382 2.864 20 5 FFBDLO Cn1cc[nH+]c1C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC000613978849 520751715 /nfs/dbraw/zinc/75/17/15/520751715.db2.gz WNANJDWKOQGYPY-INIZCTEOSA-N 1 2 366.377 2.748 20 5 FFBDLO COc1cc(C[NH2+][C@@H](CO)c2ccc(F)cc2F)c([N+](=O)[O-])cc1F ZINC000595867128 520778669 /nfs/dbraw/zinc/77/86/69/520778669.db2.gz LSFKUMIZRUKELT-AWEZNQCLSA-N 1 2 356.300 2.844 20 5 FFBDLO Cc1ccc2c(c1Br)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000595874267 520783439 /nfs/dbraw/zinc/78/34/39/520783439.db2.gz TZNGNRKARGJXBS-UHFFFAOYSA-N 1 2 351.204 2.878 20 5 FFBDLO Cc1ccc2c(c1Br)C[N@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000595874267 520783447 /nfs/dbraw/zinc/78/34/47/520783447.db2.gz TZNGNRKARGJXBS-UHFFFAOYSA-N 1 2 351.204 2.878 20 5 FFBDLO NC(=O)c1cc(N2CCC(CCCn3cc[nH+]c3)CC2)ccc1[N+](=O)[O-] ZINC000596190978 520961371 /nfs/dbraw/zinc/96/13/71/520961371.db2.gz CXYWWWUTSLYQLK-UHFFFAOYSA-N 1 2 357.414 2.587 20 5 FFBDLO COc1c(C)c[nH+]c(CN(C)C(=O)Cc2ccc(F)cc2[N+](=O)[O-])c1C ZINC000593437153 520991893 /nfs/dbraw/zinc/99/18/93/520991893.db2.gz NEWCPNORPJSFQE-UHFFFAOYSA-N 1 2 361.373 2.955 20 5 FFBDLO COc1ccc(C[N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cn1 ZINC000611139993 521005505 /nfs/dbraw/zinc/00/55/05/521005505.db2.gz CXBWIIZQLJPIOW-UHFFFAOYSA-N 1 2 355.354 2.680 20 5 FFBDLO COc1ccc(C[N@@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cn1 ZINC000611139993 521005514 /nfs/dbraw/zinc/00/55/14/521005514.db2.gz CXBWIIZQLJPIOW-UHFFFAOYSA-N 1 2 355.354 2.680 20 5 FFBDLO Cc1cc(N2CC[C@H]3CC[C@@H](C2)[S@@]3=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000599174291 521071639 /nfs/dbraw/zinc/07/16/39/521071639.db2.gz UDLSGXURDIWMSG-YQHYCNIYSA-N 1 2 372.450 2.850 20 5 FFBDLO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000611408063 521140355 /nfs/dbraw/zinc/14/03/55/521140355.db2.gz IQBNKLZUZMLWAH-KDOFPFPSSA-N 1 2 354.410 2.832 20 5 FFBDLO C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000611408063 521140364 /nfs/dbraw/zinc/14/03/64/521140364.db2.gz IQBNKLZUZMLWAH-KDOFPFPSSA-N 1 2 354.410 2.832 20 5 FFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596599777 521159514 /nfs/dbraw/zinc/15/95/14/521159514.db2.gz ZFABYXRPFVEZFI-LBPRGKRZSA-N 1 2 357.414 2.729 20 5 FFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596599777 521159520 /nfs/dbraw/zinc/15/95/20/521159520.db2.gz ZFABYXRPFVEZFI-LBPRGKRZSA-N 1 2 357.414 2.729 20 5 FFBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCO[C@H](Cc3ccccc3)C1)OCCO2 ZINC000611464370 521169666 /nfs/dbraw/zinc/16/96/66/521169666.db2.gz GXOAZWALCRIZSF-QGZVFWFLSA-N 1 2 370.405 2.810 20 5 FFBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCO[C@H](Cc3ccccc3)C1)OCCO2 ZINC000611464370 521169669 /nfs/dbraw/zinc/16/96/69/521169669.db2.gz GXOAZWALCRIZSF-QGZVFWFLSA-N 1 2 370.405 2.810 20 5 FFBDLO Cn1c2ccccc2[nH+]c1CCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611707166 521291207 /nfs/dbraw/zinc/29/12/07/521291207.db2.gz LJBLADYHSJFLTR-UHFFFAOYSA-N 1 2 362.393 2.891 20 5 FFBDLO COc1cc(C[N@H+](C)Cc2cn(C)nc2[N+](=O)[O-])c(SC)cc1OC ZINC000602471998 521362564 /nfs/dbraw/zinc/36/25/64/521362564.db2.gz MZVDSMGKLGIWKR-UHFFFAOYSA-N 1 2 366.443 2.699 20 5 FFBDLO COc1cc(C[N@@H+](C)Cc2cn(C)nc2[N+](=O)[O-])c(SC)cc1OC ZINC000602471998 521362568 /nfs/dbraw/zinc/36/25/68/521362568.db2.gz MZVDSMGKLGIWKR-UHFFFAOYSA-N 1 2 366.443 2.699 20 5 FFBDLO COC(=O)[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)Cc2ccccc21 ZINC000599666617 521379537 /nfs/dbraw/zinc/37/95/37/521379537.db2.gz NVEPNPDKIIOUQQ-KRWDZBQOSA-N 1 2 356.378 2.876 20 5 FFBDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)Cc2ccccc21 ZINC000599666617 521379539 /nfs/dbraw/zinc/37/95/39/521379539.db2.gz NVEPNPDKIIOUQQ-KRWDZBQOSA-N 1 2 356.378 2.876 20 5 FFBDLO Cn1cc(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)nn1 ZINC000611931146 521397814 /nfs/dbraw/zinc/39/78/14/521397814.db2.gz HTELRLLLGKRDRH-UHFFFAOYSA-N 1 2 357.345 2.945 20 5 FFBDLO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000599687372 521402603 /nfs/dbraw/zinc/40/26/03/521402603.db2.gz BRSMESJGWPHHIG-BTTYYORXSA-N 1 2 363.414 2.504 20 5 FFBDLO COC(=O)[C@@H]1C[C@@H](C)[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000599687372 521402614 /nfs/dbraw/zinc/40/26/14/521402614.db2.gz BRSMESJGWPHHIG-BTTYYORXSA-N 1 2 363.414 2.504 20 5 FFBDLO CC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000594172290 521447797 /nfs/dbraw/zinc/44/77/97/521447797.db2.gz IJDLDHCGIDMMPF-PBHICJAKSA-N 1 2 358.398 2.858 20 5 FFBDLO C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)c2ncnn21 ZINC000602709396 521489595 /nfs/dbraw/zinc/48/95/95/521489595.db2.gz SRNDASYPUNBQBK-MUWHJKNJSA-N 1 2 358.221 2.806 20 5 FFBDLO Nc1c(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc(Cl)cc1[N+](=O)[O-] ZINC000597097273 521502693 /nfs/dbraw/zinc/50/26/93/521502693.db2.gz FXEJFJQGIKJARA-UHFFFAOYSA-N 1 2 364.793 2.965 20 5 FFBDLO Nc1c(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc(Cl)cc1[N+](=O)[O-] ZINC000597097273 521502699 /nfs/dbraw/zinc/50/26/99/521502699.db2.gz FXEJFJQGIKJARA-UHFFFAOYSA-N 1 2 364.793 2.965 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](CC)O[C@@]2(CCOC2)C1 ZINC000619434162 521565520 /nfs/dbraw/zinc/56/55/20/521565520.db2.gz FBSZBDXWNWSOOD-AEFFLSMTSA-N 1 2 350.415 2.763 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](CC)O[C@@]2(CCOC2)C1 ZINC000619434162 521565527 /nfs/dbraw/zinc/56/55/27/521565527.db2.gz FBSZBDXWNWSOOD-AEFFLSMTSA-N 1 2 350.415 2.763 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000826212425 609334195 /nfs/dbraw/zinc/33/41/95/609334195.db2.gz PRJNWVZKFKCVHC-JTQLQIEISA-N 1 2 372.360 2.773 20 5 FFBDLO C[C@@H]1[C@H](C)SCC[N@@H+]1CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000154754309 728811129 /nfs/dbraw/zinc/81/11/29/728811129.db2.gz QOXIFKSGUAYVEA-OLZOCXBDSA-N 1 2 350.444 2.620 20 5 FFBDLO C[C@@H]1[C@H](C)SCC[N@H+]1CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000154754309 728811130 /nfs/dbraw/zinc/81/11/30/728811130.db2.gz QOXIFKSGUAYVEA-OLZOCXBDSA-N 1 2 350.444 2.620 20 5 FFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898494680 735369733 /nfs/dbraw/zinc/36/97/33/735369733.db2.gz FKTFBZSTUKMQOF-LBPRGKRZSA-N 1 2 355.435 2.871 20 5 FFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898494680 735369735 /nfs/dbraw/zinc/36/97/35/735369735.db2.gz FKTFBZSTUKMQOF-LBPRGKRZSA-N 1 2 355.435 2.871 20 5 FFBDLO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000043331641 727969222 /nfs/dbraw/zinc/96/92/22/727969222.db2.gz SHPSBGTXVFGZDB-UHFFFAOYSA-N 1 2 361.789 2.997 20 5 FFBDLO COC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000247128792 729594641 /nfs/dbraw/zinc/59/46/41/729594641.db2.gz WZUGRXDNAVPMAN-NWDGAFQWSA-N 1 2 355.822 2.934 20 5 FFBDLO COC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000247128792 729594645 /nfs/dbraw/zinc/59/46/45/729594645.db2.gz WZUGRXDNAVPMAN-NWDGAFQWSA-N 1 2 355.822 2.934 20 5 FFBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cccc(Br)c1[N+](=O)[O-] ZINC000856759223 730355451 /nfs/dbraw/zinc/35/54/51/730355451.db2.gz ZMHGVNMLHXYFSK-NWDGAFQWSA-N 1 2 370.247 2.657 20 5 FFBDLO Cc1c(Br)cc(C(=O)N[C@H]2CCn3c[nH+]cc32)cc1[N+](=O)[O-] ZINC000857980888 730415223 /nfs/dbraw/zinc/41/52/23/730415223.db2.gz SBPSKRNSSRZGPD-NSHDSACASA-N 1 2 365.187 2.737 20 5 FFBDLO O=C1N[C@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC[C@@H]2CO1 ZINC000877608771 732397645 /nfs/dbraw/zinc/39/76/45/732397645.db2.gz XHVNHCPACZLDKI-PWSUYJOCSA-N 1 2 359.304 2.544 20 5 FFBDLO O=C1N[C@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC[C@@H]2CO1 ZINC000877608771 732397648 /nfs/dbraw/zinc/39/76/48/732397648.db2.gz XHVNHCPACZLDKI-PWSUYJOCSA-N 1 2 359.304 2.544 20 5 FFBDLO CONC(=O)C1CC[NH+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000877786154 732430954 /nfs/dbraw/zinc/43/09/54/732430954.db2.gz XDQPPNTXVKHSBJ-UHFFFAOYSA-N 1 2 362.213 2.791 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)o1 ZINC000878704570 732581048 /nfs/dbraw/zinc/58/10/48/732581048.db2.gz XIZQOVHGIHJSEX-YGRLFVJLSA-N 1 2 364.789 2.909 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)o1 ZINC000878704570 732581051 /nfs/dbraw/zinc/58/10/51/732581051.db2.gz XIZQOVHGIHJSEX-YGRLFVJLSA-N 1 2 364.789 2.909 20 5 FFBDLO COc1c(O)ccc(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1[N+](=O)[O-] ZINC000894561871 734879993 /nfs/dbraw/zinc/87/99/93/734879993.db2.gz ZSFDWMSEVIVCGB-GFCCVEGCSA-N 1 2 352.778 2.606 20 5 FFBDLO COc1c(O)ccc(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1[N+](=O)[O-] ZINC000894561871 734879997 /nfs/dbraw/zinc/87/99/97/734879997.db2.gz ZSFDWMSEVIVCGB-GFCCVEGCSA-N 1 2 352.778 2.606 20 5 FFBDLO CN(CC(C)(C)C[NH+]1CCOCC1)c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000751946301 735938776 /nfs/dbraw/zinc/93/87/76/735938776.db2.gz HOWRJYZUJDRXNY-UHFFFAOYSA-N 1 2 364.471 2.999 20 5 FFBDLO O=C(OCCCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1Br ZINC000784631014 738909731 /nfs/dbraw/zinc/90/97/31/738909731.db2.gz LEBILOXUYKPCHF-UHFFFAOYSA-N 1 2 354.160 2.801 20 5 FFBDLO C[C@@H]1C[NH+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C[C@@H](C)S1 ZINC000752791492 736012800 /nfs/dbraw/zinc/01/28/00/736012800.db2.gz HDEZVQDJCQTPEN-CHWSQXEVSA-N 1 2 350.444 2.620 20 5 FFBDLO COC[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccco1 ZINC000754338270 736149202 /nfs/dbraw/zinc/14/92/02/736149202.db2.gz BDZUFGGBHZQYIR-LBPRGKRZSA-N 1 2 353.762 2.757 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@H](CCO)c3cccs3)n2)cc1 ZINC000754391854 736155532 /nfs/dbraw/zinc/15/55/32/736155532.db2.gz YJYNCFPMPIBOJG-CYBMUJFWSA-N 1 2 360.395 2.920 20 5 FFBDLO Cc1ccc([C@@H]([NH2+]CC[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000905133057 736301205 /nfs/dbraw/zinc/30/12/05/736301205.db2.gz CZRNVDUBNWKODP-SFHVURJKSA-N 1 2 362.451 2.663 20 5 FFBDLO O=C(Nc1cc(=O)c(Cl)c[nH]1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000773652422 737927142 /nfs/dbraw/zinc/92/71/42/737927142.db2.gz RDMDNQVWOLGIFZ-UHFFFAOYSA-N 1 2 359.729 2.787 20 5 FFBDLO COC(=O)C[C@H]1CCCC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774625862 738006598 /nfs/dbraw/zinc/00/65/98/738006598.db2.gz HTCXQWIQKGJSDC-GFCCVEGCSA-N 1 2 366.805 2.973 20 5 FFBDLO COC(=O)C[C@H]1CCCC[N@H+]1Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774625862 738006599 /nfs/dbraw/zinc/00/65/99/738006599.db2.gz HTCXQWIQKGJSDC-GFCCVEGCSA-N 1 2 366.805 2.973 20 5 FFBDLO COCCOC1CC[NH+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 ZINC000774634879 738007753 /nfs/dbraw/zinc/00/77/53/738007753.db2.gz GHOLCBRVXVAFJA-UHFFFAOYSA-N 1 2 368.821 2.683 20 5 FFBDLO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCCCCn1cc[nH+]c1 ZINC000775483588 738096460 /nfs/dbraw/zinc/09/64/60/738096460.db2.gz LUYIAMVNPIIQBJ-UHFFFAOYSA-N 1 2 374.369 2.680 20 5 FFBDLO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)N1CC(F)(F)F ZINC000934793188 739843984 /nfs/dbraw/zinc/84/39/84/739843984.db2.gz ARRMZVKAYADOAH-ZOWXZIJZSA-N 1 2 361.364 2.585 20 5 FFBDLO C[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)N1CC(F)(F)F ZINC000934793188 739843987 /nfs/dbraw/zinc/84/39/87/739843987.db2.gz ARRMZVKAYADOAH-ZOWXZIJZSA-N 1 2 361.364 2.585 20 5 FFBDLO CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000839719852 746903214 /nfs/dbraw/zinc/90/32/14/746903214.db2.gz ANCSVHFMNLDGDJ-RAEVTNRLSA-N 1 2 369.824 2.784 20 5 FFBDLO CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000839719852 746903219 /nfs/dbraw/zinc/90/32/19/746903219.db2.gz ANCSVHFMNLDGDJ-RAEVTNRLSA-N 1 2 369.824 2.784 20 5 FFBDLO C[C@@H](CC(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000845278386 748218288 /nfs/dbraw/zinc/21/82/88/748218288.db2.gz OAGHVLNKICVHMT-JTQLQIEISA-N 1 2 366.761 2.578 20 5 FFBDLO CCCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000852038433 749758900 /nfs/dbraw/zinc/75/89/00/749758900.db2.gz OAFDDNNBANJEQO-CYBMUJFWSA-N 1 2 354.407 2.772 20 5 FFBDLO CCCCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000852038433 749758907 /nfs/dbraw/zinc/75/89/07/749758907.db2.gz OAFDDNNBANJEQO-CYBMUJFWSA-N 1 2 354.407 2.772 20 5 FFBDLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000852041250 749759673 /nfs/dbraw/zinc/75/96/73/749759673.db2.gz NPRZZRLIQXKXNQ-ZDUSSCGKSA-N 1 2 350.268 2.661 20 5 FFBDLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000852041250 749759675 /nfs/dbraw/zinc/75/96/75/749759675.db2.gz NPRZZRLIQXKXNQ-ZDUSSCGKSA-N 1 2 350.268 2.661 20 5 FFBDLO O=C(NC1CC1)OC[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000852055695 749763680 /nfs/dbraw/zinc/76/36/80/749763680.db2.gz VWWHMYFMNXLUAY-HNNXBMFYSA-N 1 2 351.378 2.977 20 5 FFBDLO O=C(NC1CC1)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000852055695 749763686 /nfs/dbraw/zinc/76/36/86/749763686.db2.gz VWWHMYFMNXLUAY-HNNXBMFYSA-N 1 2 351.378 2.977 20 5 FFBDLO C[C@@]12COC[C@]1(C)C[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000852463179 749867459 /nfs/dbraw/zinc/86/74/59/749867459.db2.gz OAFDIACOAFXWSZ-IYBDPMFKSA-N 1 2 353.806 2.545 20 5 FFBDLO C[C@@]12COC[C@]1(C)C[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000852463179 749867464 /nfs/dbraw/zinc/86/74/64/749867464.db2.gz OAFDIACOAFXWSZ-IYBDPMFKSA-N 1 2 353.806 2.545 20 5 FFBDLO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000852696247 749927616 /nfs/dbraw/zinc/92/76/16/749927616.db2.gz WUIQYYVRLUWMRK-PHIMTYICSA-N 1 2 357.204 2.741 20 5 FFBDLO COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000852696247 749927620 /nfs/dbraw/zinc/92/76/20/749927620.db2.gz WUIQYYVRLUWMRK-PHIMTYICSA-N 1 2 357.204 2.741 20 5 FFBDLO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000254992734 959793438 /nfs/dbraw/zinc/79/34/38/959793438.db2.gz VCNVRZOUGYKUPG-TWGQIWQCSA-N 1 2 367.405 2.658 20 5 FFBDLO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC001174863977 1013326886 /nfs/dbraw/zinc/32/68/86/1013326886.db2.gz VBLVDNUMBSPVBO-WVSHTKLVSA-N 1 2 357.204 2.741 20 5 FFBDLO COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC001174863977 1013326891 /nfs/dbraw/zinc/32/68/91/1013326891.db2.gz VBLVDNUMBSPVBO-WVSHTKLVSA-N 1 2 357.204 2.741 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H](O)c3ccc(F)c(F)c3)CC2)cc1 ZINC000051093570 963983339 /nfs/dbraw/zinc/98/33/39/963983339.db2.gz QVZGZWJVCCYQBA-GOSISDBHSA-N 1 2 363.364 2.729 20 5 FFBDLO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000895345979 970433255 /nfs/dbraw/zinc/43/32/55/970433255.db2.gz BNJZPKJGUPJERM-UHFFFAOYSA-N 1 2 370.335 2.823 20 5 FFBDLO C[C@@H](CNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1ccccc1[N+](=O)[O-] ZINC000897061570 973204480 /nfs/dbraw/zinc/20/44/80/973204480.db2.gz KQHNLZKIBDIEKS-KBPBESRZSA-N 1 2 357.414 2.631 20 5 FFBDLO C[C@@H](CNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1[N+](=O)[O-] ZINC000897070320 973218442 /nfs/dbraw/zinc/21/84/42/973218442.db2.gz DJTSSNDQUMFWLP-GJZGRUSLSA-N 1 2 357.414 2.942 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1C ZINC000889085395 975161263 /nfs/dbraw/zinc/16/12/63/975161263.db2.gz PGHINBCNHBJBPR-MRXNPFEDSA-N 1 2 361.442 2.539 20 5 FFBDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000729338387 978246155 /nfs/dbraw/zinc/24/61/55/978246155.db2.gz MMLWWCLMPATGRW-MRXNPFEDSA-N 1 2 360.414 2.791 20 5 FFBDLO Cn1nccc1[C@@H]1CCC[N@@H+]1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000905742972 980503836 /nfs/dbraw/zinc/50/38/36/980503836.db2.gz WVNYHHAWSFWFHW-SFHVURJKSA-N 1 2 352.398 2.986 20 5 FFBDLO Cn1nccc1[C@@H]1CCC[N@H+]1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000905742972 980503839 /nfs/dbraw/zinc/50/38/39/980503839.db2.gz WVNYHHAWSFWFHW-SFHVURJKSA-N 1 2 352.398 2.986 20 5 FFBDLO CC[N@H+](CCc1ccccc1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000054545007 982370422 /nfs/dbraw/zinc/37/04/22/982370422.db2.gz DIXMFFVXHREDGA-UHFFFAOYSA-N 1 2 353.378 2.713 20 5 FFBDLO CC[N@@H+](CCc1ccccc1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000054545007 982370431 /nfs/dbraw/zinc/37/04/31/982370431.db2.gz DIXMFFVXHREDGA-UHFFFAOYSA-N 1 2 353.378 2.713 20 5 FFBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)cc1 ZINC000157755589 984639588 /nfs/dbraw/zinc/63/95/88/984639588.db2.gz XNYDVGFSLXODHS-UYAOXDASSA-N 1 2 372.421 2.798 20 5 FFBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)cc1 ZINC000157755589 984639594 /nfs/dbraw/zinc/63/95/94/984639594.db2.gz XNYDVGFSLXODHS-UYAOXDASSA-N 1 2 372.421 2.798 20 5 FFBDLO Cc1cc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)ccc1[N+](=O)[O-] ZINC000172019038 985445674 /nfs/dbraw/zinc/44/56/74/985445674.db2.gz AODUWNIFOHLLNA-UHFFFAOYSA-N 1 2 372.406 2.567 20 5 FFBDLO COc1ccccc1[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000879630245 1015617240 /nfs/dbraw/zinc/61/72/40/1015617240.db2.gz HKAHWSFXOJLHSE-HKUYNNGSSA-N 1 2 358.394 2.710 20 5 FFBDLO COc1ccccc1[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000879630245 1015617243 /nfs/dbraw/zinc/61/72/43/1015617243.db2.gz HKAHWSFXOJLHSE-HKUYNNGSSA-N 1 2 358.394 2.710 20 5 FFBDLO COc1ccc(OC(=O)Cc2c[nH+]cn2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000810531369 994813496 /nfs/dbraw/zinc/81/34/96/994813496.db2.gz HSDLFFCKSMMKBA-UHFFFAOYSA-N 1 2 367.361 2.996 20 5 FFBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1C(=O)C2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000811771832 995239362 /nfs/dbraw/zinc/23/93/62/995239362.db2.gz GHNQJVIINXLKNJ-ROUUACIJSA-N 1 2 373.453 2.587 20 5 FFBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1C(=O)C2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000811771832 995239374 /nfs/dbraw/zinc/23/93/74/995239374.db2.gz GHNQJVIINXLKNJ-ROUUACIJSA-N 1 2 373.453 2.587 20 5 FFBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1cc([N+](=O)[O-])ccc1C(C)(C)C ZINC000880706447 1015950623 /nfs/dbraw/zinc/95/06/23/1015950623.db2.gz LJLQIJKNAFRPRQ-ZDUSSCGKSA-N 1 2 364.446 2.735 20 5 FFBDLO C[C@@H](C(=O)OCCOc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000740987820 999696124 /nfs/dbraw/zinc/69/61/24/999696124.db2.gz SBENYQZRIFTCKU-HNNXBMFYSA-N 1 2 370.405 2.964 20 5 FFBDLO C[C@@H](C(=O)OCCOc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000740987820 999696125 /nfs/dbraw/zinc/69/61/25/999696125.db2.gz SBENYQZRIFTCKU-HNNXBMFYSA-N 1 2 370.405 2.964 20 5 FFBDLO C[C@@H](OC(=O)[C@H]1CCCC[N@@H+]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000741148221 999711645 /nfs/dbraw/zinc/71/16/45/999711645.db2.gz YURPKJOCDJLJEH-BXUZGUMPSA-N 1 2 360.370 2.733 20 5 FFBDLO C[C@@H](OC(=O)[C@H]1CCCC[N@H+]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000741148221 999711648 /nfs/dbraw/zinc/71/16/48/999711648.db2.gz YURPKJOCDJLJEH-BXUZGUMPSA-N 1 2 360.370 2.733 20 5 FFBDLO O=C(OCc1ccccc1[N+](=O)[O-])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741386498 999723930 /nfs/dbraw/zinc/72/39/30/999723930.db2.gz KYYHCTRADCRNRP-GOSISDBHSA-N 1 2 356.378 2.539 20 5 FFBDLO O=C(OCc1ccccc1[N+](=O)[O-])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741386498 999723932 /nfs/dbraw/zinc/72/39/32/999723932.db2.gz KYYHCTRADCRNRP-GOSISDBHSA-N 1 2 356.378 2.539 20 5 FFBDLO Cc1c([N+](=O)[O-])cc(C(=O)NCC[NH+]2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000744388366 999853819 /nfs/dbraw/zinc/85/38/19/999853819.db2.gz PKCLOJASQDAJGO-UHFFFAOYSA-N 1 2 370.365 2.557 20 5 FFBDLO O=C1OCC[C@H]2C[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CCN12 ZINC000770394323 1000768367 /nfs/dbraw/zinc/76/83/67/1000768367.db2.gz YVMZQWJLPRREIO-ZDUSSCGKSA-N 1 2 357.366 2.881 20 5 FFBDLO O=C1OCC[C@H]2C[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CCN12 ZINC000770394323 1000768372 /nfs/dbraw/zinc/76/83/72/1000768372.db2.gz YVMZQWJLPRREIO-ZDUSSCGKSA-N 1 2 357.366 2.881 20 5 FFBDLO O=C(O[C@H](C(F)F)[C@@H]1CCCO1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000774450521 1001915333 /nfs/dbraw/zinc/91/53/33/1001915333.db2.gz PVIVXAXWWACUBT-KBPBESRZSA-N 1 2 367.308 2.750 20 5 FFBDLO CN(C)C(=O)C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000792876018 1003216258 /nfs/dbraw/zinc/21/62/58/1003216258.db2.gz KEKVWNIJZSTXGI-INIZCTEOSA-N 1 2 372.381 2.812 20 5 FFBDLO COc1c(C)c[nH+]c(CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])c1C ZINC000805029623 1003924275 /nfs/dbraw/zinc/92/42/75/1003924275.db2.gz OGHAPZPDJQAWGR-UHFFFAOYSA-N 1 2 372.425 2.999 20 5 FFBDLO Cc1cc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c(N)c([N+](=O)[O-])c1 ZINC000104148485 1004435997 /nfs/dbraw/zinc/43/59/97/1004435997.db2.gz ALVHUIJPXLTMEH-UHFFFAOYSA-N 1 2 370.409 2.570 20 5 FFBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CN1CCN(c2ccccc2)C1=O ZINC000808188942 1004769308 /nfs/dbraw/zinc/76/93/08/1004769308.db2.gz ZRLCLWOUAUMDPS-UHFFFAOYSA-N 1 2 354.410 2.969 20 5 FFBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CN1CCN(c2ccccc2)C1=O ZINC000808188942 1004769312 /nfs/dbraw/zinc/76/93/12/1004769312.db2.gz ZRLCLWOUAUMDPS-UHFFFAOYSA-N 1 2 354.410 2.969 20 5 FFBDLO Cc1noc(C[N@@H+]2CCCC[C@@H]2COC(=O)NC2CCCC2)c1[N+](=O)[O-] ZINC000852055686 1005937466 /nfs/dbraw/zinc/93/74/66/1005937466.db2.gz VVDDHPYHJBRRGK-CQSZACIVSA-N 1 2 366.418 2.915 20 5 FFBDLO Cc1noc(C[N@H+]2CCCC[C@@H]2COC(=O)NC2CCCC2)c1[N+](=O)[O-] ZINC000852055686 1005937468 /nfs/dbraw/zinc/93/74/68/1005937468.db2.gz VVDDHPYHJBRRGK-CQSZACIVSA-N 1 2 366.418 2.915 20 5 FFBDLO COc1ccc(C)nc1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001134523128 1006369330 /nfs/dbraw/zinc/36/93/30/1006369330.db2.gz NDZXOLXBFRAEAG-UHFFFAOYSA-N 1 2 353.338 2.745 20 5 FFBDLO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)nc1-c1ccccn1 ZINC000853517820 1006424683 /nfs/dbraw/zinc/42/46/83/1006424683.db2.gz FTYYJOBWYAOFIX-INIZCTEOSA-N 1 2 365.393 2.964 20 5 FFBDLO O=[N+]([O-])c1cn(C[N@H+]2CC[C@H](Oc3ccccc3)C2)nc1-c1ccccn1 ZINC000853517820 1006424693 /nfs/dbraw/zinc/42/46/93/1006424693.db2.gz FTYYJOBWYAOFIX-INIZCTEOSA-N 1 2 365.393 2.964 20 5 FFBDLO C[C@@H]1COC2(CCCC2)C[N@@H+]1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000853580110 1006456715 /nfs/dbraw/zinc/45/67/15/1006456715.db2.gz MAPDXIGEEGYOLZ-CRAIPNDOSA-N 1 2 373.453 2.902 20 5 FFBDLO C[C@@H]1COC2(CCCC2)C[N@H+]1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000853580110 1006456720 /nfs/dbraw/zinc/45/67/20/1006456720.db2.gz MAPDXIGEEGYOLZ-CRAIPNDOSA-N 1 2 373.453 2.902 20 5 FFBDLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@]2(CCN(c3ncc([N+](=O)[O-])s3)C2)O1 ZINC000882980837 1006587993 /nfs/dbraw/zinc/58/79/93/1006587993.db2.gz VLAHHGOUVVPFQG-KDOFPFPSSA-N 1 2 374.466 2.921 20 5 FFBDLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]2(CCN(c3ncc([N+](=O)[O-])s3)C2)O1 ZINC000882980837 1006588006 /nfs/dbraw/zinc/58/80/06/1006588006.db2.gz VLAHHGOUVVPFQG-KDOFPFPSSA-N 1 2 374.466 2.921 20 5 FFBDLO CCCCCNC(=O)[C@@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000855084713 1007102792 /nfs/dbraw/zinc/10/27/92/1007102792.db2.gz BQTZFCGDTGEGNV-CYBMUJFWSA-N 1 2 374.397 2.632 20 5 FFBDLO CN(C)C(=O)OC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000816654808 1007153500 /nfs/dbraw/zinc/15/35/00/1007153500.db2.gz ZMDBDPIFZHAJJY-UHFFFAOYSA-N 1 2 373.356 2.859 20 5 FFBDLO C[C@@H]1C[C@H](C)[N@H+](Cn2cc([N+](=O)[O-])cn2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000817378611 1007570972 /nfs/dbraw/zinc/57/09/72/1007570972.db2.gz VUAYJQXMDUFCES-RDBSUJKOSA-N 1 2 367.450 2.620 20 5 FFBDLO C[C@@H]1C[C@H](C)[N@@H+](Cn2cc([N+](=O)[O-])cn2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000817378611 1007570982 /nfs/dbraw/zinc/57/09/82/1007570982.db2.gz VUAYJQXMDUFCES-RDBSUJKOSA-N 1 2 367.450 2.620 20 5 FFBDLO CC(C)(CCC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)[N+](=O)[O-] ZINC000823242889 1008991128 /nfs/dbraw/zinc/99/11/28/1008991128.db2.gz FAUPDAFUMKCZSZ-CYBMUJFWSA-N 1 2 369.412 2.881 20 5 FFBDLO CC(C)(CCC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)[N+](=O)[O-] ZINC000823242889 1008991135 /nfs/dbraw/zinc/99/11/35/1008991135.db2.gz FAUPDAFUMKCZSZ-CYBMUJFWSA-N 1 2 369.412 2.881 20 5 FFBDLO C[C@@H]1C[N@H+](CCNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)[C@@H](C)CO1 ZINC000862169865 1009731281 /nfs/dbraw/zinc/73/12/81/1009731281.db2.gz CDGPQPFJGXZDIA-UONOGXRCSA-N 1 2 357.410 2.587 20 5 FFBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)[C@@H](C)CO1 ZINC000862169865 1009731290 /nfs/dbraw/zinc/73/12/90/1009731290.db2.gz CDGPQPFJGXZDIA-UONOGXRCSA-N 1 2 357.410 2.587 20 5 FFBDLO COc1c(O)ccc(C[NH2+][C@H](c2cnn(C)c2)c2ccccc2)c1[N+](=O)[O-] ZINC001180836451 1009856233 /nfs/dbraw/zinc/85/62/33/1009856233.db2.gz NTKWIBKMWUPANW-KRWDZBQOSA-N 1 2 368.393 2.922 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)Cc2nnc3ccccn32)c1F ZINC001173179856 1012322365 /nfs/dbraw/zinc/32/23/65/1012322365.db2.gz HVSWKVRIOLPNOR-GFCCVEGCSA-N 1 2 373.388 2.848 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+](C)Cc2nnc3ccccn32)c1F ZINC001173179856 1012322376 /nfs/dbraw/zinc/32/23/76/1012322376.db2.gz HVSWKVRIOLPNOR-GFCCVEGCSA-N 1 2 373.388 2.848 20 5 FFBDLO Cc1c(C(=O)NCCCCn2cc[nH+]c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000748837618 1017695222 /nfs/dbraw/zinc/69/52/22/1017695222.db2.gz GDHRQOBGKYVBAA-UHFFFAOYSA-N 1 2 361.358 2.527 20 5 FFBDLO COC(=O)Cc1ccc(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000827760578 1018642020 /nfs/dbraw/zinc/64/20/20/1018642020.db2.gz KNJREJPPEIAKIL-GUYCJALGSA-N 1 2 358.398 2.594 20 5 FFBDLO Cc1c(C)c(C)c(C[NH+]2CC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c(C)c1C ZINC001042705194 1019113419 /nfs/dbraw/zinc/11/34/19/1019113419.db2.gz LKYXSPUTOLZNFP-IEBWSBKVSA-N 1 2 359.470 2.537 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCSc2ccncc2)CC1 ZINC000929995002 1019799884 /nfs/dbraw/zinc/79/98/84/1019799884.db2.gz WGIGKADTCKBHIR-UHFFFAOYSA-N 1 2 372.450 2.540 20 5 FFBDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000800499152 1020359671 /nfs/dbraw/zinc/35/96/71/1020359671.db2.gz CYSHXUFTEIBJIO-HNAYVOBHSA-N 1 2 371.437 2.780 20 5 FFBDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000800499152 1020359681 /nfs/dbraw/zinc/35/96/81/1020359681.db2.gz CYSHXUFTEIBJIO-HNAYVOBHSA-N 1 2 371.437 2.780 20 5 FFBDLO Cc1cn2cc(NC(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)ccc2[nH+]1 ZINC000726948021 1020555710 /nfs/dbraw/zinc/55/57/10/1020555710.db2.gz RYEPSVQYLYDLBH-UHFFFAOYSA-N 1 2 350.338 2.539 20 5 FFBDLO Nc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccncc2)cc1[N+](=O)[O-] ZINC001118706272 1022361158 /nfs/dbraw/zinc/36/11/58/1022361158.db2.gz KHDHHLYGGRWKPI-MRXNPFEDSA-N 1 2 355.398 2.565 20 5 FFBDLO Nc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccncc2)cc1[N+](=O)[O-] ZINC001118706272 1022361177 /nfs/dbraw/zinc/36/11/77/1022361177.db2.gz KHDHHLYGGRWKPI-MRXNPFEDSA-N 1 2 355.398 2.565 20 5 FFBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000157763350 1022457992 /nfs/dbraw/zinc/45/79/92/1022457992.db2.gz UBHOMXKWNIPZNB-HKUYNNGSSA-N 1 2 372.421 2.798 20 5 FFBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000157763350 1022457994 /nfs/dbraw/zinc/45/79/94/1022457994.db2.gz UBHOMXKWNIPZNB-HKUYNNGSSA-N 1 2 372.421 2.798 20 5 FFBDLO O=C(Nc1ccc([N+](=O)[O-])c2ccccc12)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001123446421 1023805962 /nfs/dbraw/zinc/80/59/62/1023805962.db2.gz INCZJCSSGXGLKG-CQSZACIVSA-N 1 2 370.409 2.686 20 5 FFBDLO CC[C@H]1C[N@H+](Cn2cc([N+](=O)[O-])c(C)n2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000779867962 1025180894 /nfs/dbraw/zinc/18/08/94/1025180894.db2.gz QFEOFKIGKMQURO-UONOGXRCSA-N 1 2 367.450 2.682 20 5 FFBDLO CC[C@H]1C[N@@H+](Cn2cc([N+](=O)[O-])c(C)n2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000779867962 1025180898 /nfs/dbraw/zinc/18/08/98/1025180898.db2.gz QFEOFKIGKMQURO-UONOGXRCSA-N 1 2 367.450 2.682 20 5 FFBDLO C[N@@H+]1CCCN(c2ccc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])cc2)CC1 ZINC000795316601 1025503991 /nfs/dbraw/zinc/50/39/91/1025503991.db2.gz CUCVHRDXLSFWRW-UHFFFAOYSA-N 1 2 370.409 2.695 20 5 FFBDLO C[N@H+]1CCCN(c2ccc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])cc2)CC1 ZINC000795316601 1025503997 /nfs/dbraw/zinc/50/39/97/1025503997.db2.gz CUCVHRDXLSFWRW-UHFFFAOYSA-N 1 2 370.409 2.695 20 5 FFBDLO CC[C@H](NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001152974573 1027731077 /nfs/dbraw/zinc/73/10/77/1027731077.db2.gz LEQVDVSXDJMGMJ-WMLDXEAASA-N 1 2 357.414 2.966 20 5 FFBDLO CC[C@H](NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001152974573 1027731092 /nfs/dbraw/zinc/73/10/92/1027731092.db2.gz LEQVDVSXDJMGMJ-WMLDXEAASA-N 1 2 357.414 2.966 20 5 FFBDLO CC[C@H](NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001152974575 1027731184 /nfs/dbraw/zinc/73/11/84/1027731184.db2.gz LEQVDVSXDJMGMJ-YOEHRIQHSA-N 1 2 357.414 2.966 20 5 FFBDLO CC[C@H](NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001152974575 1027731204 /nfs/dbraw/zinc/73/12/04/1027731204.db2.gz LEQVDVSXDJMGMJ-YOEHRIQHSA-N 1 2 357.414 2.966 20 5 FFBDLO COC(=O)[C@H](Cc1c[nH+]cn1C)Nc1ccc2ccc3cccnc3c2n1 ZINC001160691257 1027805609 /nfs/dbraw/zinc/80/56/09/1027805609.db2.gz PGTXRKATBMFQCU-INIZCTEOSA-N 1 2 361.405 2.713 20 5 FFBDLO COc1ccccc1O[C@H]1CCC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000795732457 1028069436 /nfs/dbraw/zinc/06/94/36/1028069436.db2.gz XNSPTMZWUFVUCY-HNNXBMFYSA-N 1 2 360.414 2.918 20 5 FFBDLO COc1ccccc1O[C@H]1CCC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000795732457 1028069442 /nfs/dbraw/zinc/06/94/42/1028069442.db2.gz XNSPTMZWUFVUCY-HNNXBMFYSA-N 1 2 360.414 2.918 20 5 FFBDLO COc1ccc(Cn2c[nH+]cc2CNc2ncc(OC)cc2[N+](=O)[O-])cc1 ZINC001161507400 1028206463 /nfs/dbraw/zinc/20/64/63/1028206463.db2.gz ODRWWEAGVQCQOW-UHFFFAOYSA-N 1 2 369.381 2.864 20 5 FFBDLO Cc1cc(CNC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)cc(C)[nH+]1 ZINC001162229029 1028474770 /nfs/dbraw/zinc/47/47/70/1028474770.db2.gz MHYDMRJVCYTCGD-UHFFFAOYSA-N 1 2 366.377 2.850 20 5 FFBDLO Cn1ccnc1[C@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000780766591 1028802713 /nfs/dbraw/zinc/80/27/13/1028802713.db2.gz HLFYRVOYYQDFSA-IAGOWNOFSA-N 1 2 372.425 2.693 20 5 FFBDLO O=C(NCc1[nH]c2c([nH+]1)CCCC2)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001156897251 1029395781 /nfs/dbraw/zinc/39/57/81/1029395781.db2.gz JDAQCUHLIQAAKI-UHFFFAOYSA-N 1 2 354.410 2.935 20 5 FFBDLO O=[N+]([O-])c1c(Cl)nc(Cl)nc1NCCc1cn2ccccc2[nH+]1 ZINC001158144848 1029744930 /nfs/dbraw/zinc/74/49/30/1029744930.db2.gz HVSAAEIBJKVDIH-UHFFFAOYSA-N 1 2 353.169 2.994 20 5 FFBDLO O=[N+]([O-])c1ccc(O[C@@H]2C[NH+]3CCC2CC3)c(I)c1 ZINC001226035247 1034499273 /nfs/dbraw/zinc/49/92/73/1034499273.db2.gz XPRLSJDJBAYRMP-CYBMUJFWSA-N 1 2 374.178 2.672 20 5 FFBDLO C[C@@H](Oc1c(O)cccc1[N+](=O)[O-])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001226333167 1034633400 /nfs/dbraw/zinc/63/34/00/1034633400.db2.gz HSQMWUSMFPLGPP-KDOFPFPSSA-N 1 2 358.394 2.969 20 5 FFBDLO C[C@@H](Oc1c(O)cccc1[N+](=O)[O-])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001226333167 1034633408 /nfs/dbraw/zinc/63/34/08/1034633408.db2.gz HSQMWUSMFPLGPP-KDOFPFPSSA-N 1 2 358.394 2.969 20 5 FFBDLO C[C@@H](Oc1ncc(F)cc1[N+](=O)[O-])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001226751855 1034820708 /nfs/dbraw/zinc/82/07/08/1034820708.db2.gz UVCDYOAQVJPTPT-DYVFJYSZSA-N 1 2 361.373 2.797 20 5 FFBDLO C[C@@H](Oc1ncc(F)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001226751855 1034820722 /nfs/dbraw/zinc/82/07/22/1034820722.db2.gz UVCDYOAQVJPTPT-DYVFJYSZSA-N 1 2 361.373 2.797 20 5 FFBDLO O=[N+]([O-])c1cnc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1Cl ZINC001226918527 1034884072 /nfs/dbraw/zinc/88/40/72/1034884072.db2.gz YXANMYABGWQHTO-AWEZNQCLSA-N 1 2 363.801 2.923 20 5 FFBDLO O=[N+]([O-])c1cnc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1Cl ZINC001226918527 1034884078 /nfs/dbraw/zinc/88/40/78/1034884078.db2.gz YXANMYABGWQHTO-AWEZNQCLSA-N 1 2 363.801 2.923 20 5 FFBDLO COc1cc(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)ccc1[N+](=O)[O-] ZINC001536344381 1069959070 /nfs/dbraw/zinc/95/90/70/1069959070.db2.gz ZNLNKSINUPDNQN-INIZCTEOSA-N 1 2 366.377 2.971 20 5 FFBDLO CC(C)[NH+]1CC(Oc2cccc(I)c2[N+](=O)[O-])C1 ZINC001229657149 1036807641 /nfs/dbraw/zinc/80/76/41/1036807641.db2.gz SAAGTYMWABAEJG-UHFFFAOYSA-N 1 2 362.167 2.671 20 5 FFBDLO CCCSc1nc(O[C@@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229792252 1036900184 /nfs/dbraw/zinc/90/01/84/1036900184.db2.gz POJOQCSUEGSUSF-LLVKDONJSA-N 1 2 356.448 2.844 20 5 FFBDLO CCCSc1nc(O[C@@H]2CCC[N@H+](C(C)C)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229792252 1036900203 /nfs/dbraw/zinc/90/02/03/1036900203.db2.gz POJOQCSUEGSUSF-LLVKDONJSA-N 1 2 356.448 2.844 20 5 FFBDLO Cc1nc2c(c(O[C@@H](C[N+](=O)[O-])C3CC3)n1)CC[N@H+](Cc1ccccc1)C2 ZINC001229896476 1036964668 /nfs/dbraw/zinc/96/46/68/1036964668.db2.gz PQGSLJKRWSTGHH-IBGZPJMESA-N 1 2 368.437 2.777 20 5 FFBDLO Cc1nc2c(c(O[C@@H](C[N+](=O)[O-])C3CC3)n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001229896476 1036964685 /nfs/dbraw/zinc/96/46/85/1036964685.db2.gz PQGSLJKRWSTGHH-IBGZPJMESA-N 1 2 368.437 2.777 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[C@H](Oc3ccc(-n4cc[nH+]c4)cc3)C2)nc1 ZINC001229954344 1036998807 /nfs/dbraw/zinc/99/88/07/1036998807.db2.gz NYUNMWRYEOXHBG-KRWDZBQOSA-N 1 2 351.366 2.833 20 5 FFBDLO CCC[N@@H+]1CCO[C@@H]2c3cc(O[C@@H](C[N+](=O)[O-])C4CC4)ccc3OC[C@H]21 ZINC001230427373 1037278320 /nfs/dbraw/zinc/27/83/20/1037278320.db2.gz NXSNPTIGWNJWAU-NZSAHSFTSA-N 1 2 362.426 2.665 20 5 FFBDLO CCC[N@H+]1CCO[C@@H]2c3cc(O[C@@H](C[N+](=O)[O-])C4CC4)ccc3OC[C@H]21 ZINC001230427373 1037278330 /nfs/dbraw/zinc/27/83/30/1037278330.db2.gz NXSNPTIGWNJWAU-NZSAHSFTSA-N 1 2 362.426 2.665 20 5 FFBDLO O=[N+]([O-])c1cc2c[nH]nc2cc1OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001230595966 1037314581 /nfs/dbraw/zinc/31/45/81/1037314581.db2.gz ODXAMVWFZAGTJO-MRXNPFEDSA-N 1 2 368.393 2.751 20 5 FFBDLO O=[N+]([O-])c1cc2c[nH]nc2cc1OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001230595966 1037314602 /nfs/dbraw/zinc/31/46/02/1037314602.db2.gz ODXAMVWFZAGTJO-MRXNPFEDSA-N 1 2 368.393 2.751 20 5 FFBDLO O=C(NC[C@H]1OCc2ccccc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001537911176 1070289817 /nfs/dbraw/zinc/28/98/17/1070289817.db2.gz QXSJCXMVOKYRCK-GOSISDBHSA-N 1 2 364.361 2.782 20 5 FFBDLO CNc1c(C(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC001262638286 1041768334 /nfs/dbraw/zinc/76/83/34/1041768334.db2.gz SZKJKNIZQLUVAI-HNNXBMFYSA-N 1 2 358.373 2.562 20 5 FFBDLO Nc1c(NC(=O)NCCCNc2cccc[nH+]2)cc(Cl)cc1[N+](=O)[O-] ZINC001311044265 1043787456 /nfs/dbraw/zinc/78/74/56/1043787456.db2.gz BPPKZDHLVLKMTK-UHFFFAOYSA-N 1 2 364.793 2.849 20 5 FFBDLO Cc1nn(C[NH+]2CCC([C@H]3c4ccccc4NC3=O)CC2)c(C)c1[N+](=O)[O-] ZINC001318187743 1045237606 /nfs/dbraw/zinc/23/76/06/1045237606.db2.gz NGKRJMMSKVYPNZ-KRWDZBQOSA-N 1 2 369.425 2.814 20 5 FFBDLO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC001325302014 1046458759 /nfs/dbraw/zinc/45/87/59/1046458759.db2.gz AFNWUKLMCKXXJW-JTQLQIEISA-N 1 2 374.788 2.580 20 5 FFBDLO O=[N+]([O-])c1cc(Cl)c2ncnc(SCC[NH+]3CCOCC3)c2c1 ZINC001327958620 1048109745 /nfs/dbraw/zinc/10/97/45/1048109745.db2.gz XNPJPPJTJFZCKJ-UHFFFAOYSA-N 1 2 354.819 2.616 20 5 FFBDLO Cc1cn(C[N@@H+]2CCC[C@H](CCF)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC001330667901 1049261794 /nfs/dbraw/zinc/26/17/94/1049261794.db2.gz YSYMQFUQPXDIFP-OAHLLOKOSA-N 1 2 362.405 2.885 20 5 FFBDLO Cc1cn(C[N@H+]2CCC[C@H](CCF)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC001330667901 1049261809 /nfs/dbraw/zinc/26/18/09/1049261809.db2.gz YSYMQFUQPXDIFP-OAHLLOKOSA-N 1 2 362.405 2.885 20 5 FFBDLO Cc1cn(C(C)(C)C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])c[nH+]1 ZINC001293736004 1049618707 /nfs/dbraw/zinc/61/87/07/1049618707.db2.gz YYTQVIHSZLDIRT-UHFFFAOYSA-N 1 2 359.430 2.762 20 5 FFBDLO O=C(N[C@H]1CC(=O)c2ccccc21)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001295705978 1049976949 /nfs/dbraw/zinc/97/69/49/1049976949.db2.gz MFRGAWBJLAJSIT-HNNXBMFYSA-N 1 2 362.345 2.838 20 5 FFBDLO CN(CCc1cccc([N+](=O)[O-])c1)c1nnc([C@@H]2CCCC[N@@H+]2C)n1C ZINC001340040696 1050451424 /nfs/dbraw/zinc/45/14/24/1050451424.db2.gz UGVGENXPRKUUHC-INIZCTEOSA-N 1 2 358.446 2.559 20 5 FFBDLO CN(CCc1cccc([N+](=O)[O-])c1)c1nnc([C@@H]2CCCC[N@H+]2C)n1C ZINC001340040696 1050451426 /nfs/dbraw/zinc/45/14/26/1050451426.db2.gz UGVGENXPRKUUHC-INIZCTEOSA-N 1 2 358.446 2.559 20 5 FFBDLO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001301663437 1050949275 /nfs/dbraw/zinc/94/92/75/1050949275.db2.gz VBCZMROANJLSPE-AWEZNQCLSA-N 1 2 360.801 2.617 20 5 FFBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001343039742 1051655558 /nfs/dbraw/zinc/65/55/58/1051655558.db2.gz PAHNMFUGLZZVND-TZMCWYRMSA-N 1 2 360.389 2.582 20 5 FFBDLO Cc1[nH]c([C@H]2CCCN2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[nH+]c1C ZINC001308070457 1052398126 /nfs/dbraw/zinc/39/81/26/1052398126.db2.gz HTFDXENQSVUOGL-QGZVFWFLSA-N 1 2 369.425 2.661 20 5 FFBDLO O=C(COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cccs1 ZINC001343989771 1052532345 /nfs/dbraw/zinc/53/23/45/1052532345.db2.gz KGZKSHZJVDVFOS-UHFFFAOYSA-N 1 2 357.347 2.882 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)c1 ZINC001336070125 1053747262 /nfs/dbraw/zinc/74/72/62/1053747262.db2.gz LSMPSQJUQDRCCQ-MRXNPFEDSA-N 1 2 359.357 2.529 20 5 FFBDLO COc1ccc(CSCC(=O)Nc2c(C)c[nH+]cc2C)cc1[N+](=O)[O-] ZINC001338993212 1055996679 /nfs/dbraw/zinc/99/66/79/1055996679.db2.gz QVOMJSQVNQPNKB-UHFFFAOYSA-N 1 2 361.423 2.909 20 5 FFBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2C[C@]2(F)c2ccccc2)cc1 ZINC001353309635 1056283756 /nfs/dbraw/zinc/28/37/56/1056283756.db2.gz HCLOLOARYNYWTK-SJORKVTESA-N 1 2 364.398 2.595 20 5 FFBDLO CCc1nc(C)c(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)o1 ZINC001544405334 1071640016 /nfs/dbraw/zinc/64/00/16/1071640016.db2.gz ADHUGHIREFMZSX-UHFFFAOYSA-N 1 2 355.354 2.569 20 5 FFBDLO Cc1cc(C)c(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c(C)[nH+]1 ZINC001355225370 1060008115 /nfs/dbraw/zinc/00/81/15/1060008115.db2.gz OPUCEVABYYZQHQ-UHFFFAOYSA-N 1 2 354.410 2.877 20 5 FFBDLO C[C@H]1C[N@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)CC2(CCCC2)O1 ZINC000848490300 1060146460 /nfs/dbraw/zinc/14/64/60/1060146460.db2.gz YMIJWDRAYNNZBA-MAUKXSAKSA-N 1 2 373.453 2.902 20 5 FFBDLO C[C@H]1C[N@@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)CC2(CCCC2)O1 ZINC000848490300 1060146466 /nfs/dbraw/zinc/14/64/66/1060146466.db2.gz YMIJWDRAYNNZBA-MAUKXSAKSA-N 1 2 373.453 2.902 20 5 FFBDLO O=C(NCCc1ccc(Cl)nc1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001355577400 1060380219 /nfs/dbraw/zinc/38/02/19/1060380219.db2.gz VDUCINOXISKZLG-UHFFFAOYSA-N 1 2 371.784 2.801 20 5 FFBDLO Cc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)nc1C ZINC001528312560 1061858120 /nfs/dbraw/zinc/85/81/20/1061858120.db2.gz OKDNOGXIDQWWBQ-UHFFFAOYSA-N 1 2 351.366 2.722 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCOC[C@H]1c1ccco1 ZINC001435174083 1062408722 /nfs/dbraw/zinc/40/87/22/1062408722.db2.gz DGMSTDMZNLLXGT-INIZCTEOSA-N 1 2 368.349 2.587 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC001438861600 1063060488 /nfs/dbraw/zinc/06/04/88/1063060488.db2.gz OZLXBLCJTFECBI-QGZVFWFLSA-N 1 2 366.377 2.971 20 5 FFBDLO O=C(Cc1ccc(-n2cc[nH+]c2)cc1)NCCc1ccc([N+](=O)[O-])cc1 ZINC001442077355 1063497784 /nfs/dbraw/zinc/49/77/84/1063497784.db2.gz DDWDOWHQZAQPST-UHFFFAOYSA-N 1 2 350.378 2.682 20 5 FFBDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC001471937743 1064858658 /nfs/dbraw/zinc/85/86/58/1064858658.db2.gz QQYFZOJXFZHRLI-OAHLLOKOSA-N 1 2 363.458 2.733 20 5 FFBDLO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001474060808 1065448952 /nfs/dbraw/zinc/44/89/52/1065448952.db2.gz BJPMDCKOBHMODW-IINYFYTJSA-N 1 2 354.248 2.930 20 5 FFBDLO CC(C)Oc1cncc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC001585029233 1079416812 /nfs/dbraw/zinc/41/68/12/1079416812.db2.gz CDAJARDSBYYWCB-UHFFFAOYSA-N 1 2 368.353 2.610 20 5 FFBDLO C[C@@H](O)[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC001557677301 1075872871 /nfs/dbraw/zinc/87/28/71/1075872871.db2.gz OISJLDKLVLQHOU-ACJLOTCBSA-N 1 2 366.377 2.632 20 5 FFBDLO CC(C)c1[nH]cc(CNC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)[nH+]1 ZINC001558561381 1076033698 /nfs/dbraw/zinc/03/36/98/1076033698.db2.gz QQIZUHGAMMERHY-UHFFFAOYSA-N 1 2 369.381 2.685 20 5 FFBDLO CC(C)c1[nH]c(CNC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)c[nH+]1 ZINC001558561381 1076033701 /nfs/dbraw/zinc/03/37/01/1076033701.db2.gz QQIZUHGAMMERHY-UHFFFAOYSA-N 1 2 369.381 2.685 20 5 FFBDLO CN(CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1ccccc1 ZINC001587565528 1079817214 /nfs/dbraw/zinc/81/72/14/1079817214.db2.gz AECVTIRRHDDDTL-UHFFFAOYSA-N 1 2 365.393 2.647 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccn2C)c([N+](=O)[O-])c1 ZINC000007853965 249308342 /nfs/dbraw/zinc/30/83/42/249308342.db2.gz CWMSSILQGWNHBM-MRXNPFEDSA-N 1 2 358.398 2.718 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccn2C)c([N+](=O)[O-])c1 ZINC000007853965 249308344 /nfs/dbraw/zinc/30/83/44/249308344.db2.gz CWMSSILQGWNHBM-MRXNPFEDSA-N 1 2 358.398 2.718 20 5 FFBDLO COc1cc(C[N@H+](C)[C@H]2CCCc3c2cnn3C)c([N+](=O)[O-])cc1OC ZINC000093864002 250048037 /nfs/dbraw/zinc/04/80/37/250048037.db2.gz HBUZITYIMRHCDO-AWEZNQCLSA-N 1 2 360.414 2.855 20 5 FFBDLO COc1cc(C[N@@H+](C)[C@H]2CCCc3c2cnn3C)c([N+](=O)[O-])cc1OC ZINC000093864002 250048042 /nfs/dbraw/zinc/04/80/42/250048042.db2.gz HBUZITYIMRHCDO-AWEZNQCLSA-N 1 2 360.414 2.855 20 5 FFBDLO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)C2)CC1 ZINC000101951100 250094532 /nfs/dbraw/zinc/09/45/32/250094532.db2.gz POMCKUSEPNGNDD-OAHLLOKOSA-N 1 2 361.442 2.885 20 5 FFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2cccc[nH+]2)CC1 ZINC000117566635 250353420 /nfs/dbraw/zinc/35/34/20/250353420.db2.gz NXMCEOGZGSRUJZ-UHFFFAOYSA-N 1 2 360.801 2.535 20 5 FFBDLO Cc1cc(NC(=O)c2nn(C)cc2[N+](=O)[O-])c[nH+]c1N1CCCC[C@@H]1C ZINC000272437953 252037707 /nfs/dbraw/zinc/03/77/07/252037707.db2.gz AHFYNZJWSIYSGJ-LBPRGKRZSA-N 1 2 358.402 2.663 20 5 FFBDLO Cc1cc(NC[C@H]2CC(=O)N(C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000272566410 252069887 /nfs/dbraw/zinc/06/98/87/252069887.db2.gz VZXOTEFZTBYFEY-CYBMUJFWSA-N 1 2 367.409 2.783 20 5 FFBDLO Cc1cc(N2CC[S@](=O)C[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000277854474 256247676 /nfs/dbraw/zinc/24/76/76/256247676.db2.gz CNPKSNCGLMKGCU-YDBLSZJJSA-N 1 2 360.439 2.565 20 5 FFBDLO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[NH+](Cc2cccnc2)CC1 ZINC000278406257 256308838 /nfs/dbraw/zinc/30/88/38/256308838.db2.gz NJYCIQNIZXRISH-UHFFFAOYSA-N 1 2 367.331 2.726 20 5 FFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC000278900835 256359933 /nfs/dbraw/zinc/35/99/33/256359933.db2.gz QYVDCTQBACVIFR-CYBMUJFWSA-N 1 2 372.385 2.878 20 5 FFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC000278900835 256359934 /nfs/dbraw/zinc/35/99/34/256359934.db2.gz QYVDCTQBACVIFR-CYBMUJFWSA-N 1 2 372.385 2.878 20 5 FFBDLO Cn1c2c([nH+]c1[C@H]1CCCN1c1ccc(C(N)=O)cc1[N+](=O)[O-])CCCC2 ZINC000281515379 256638537 /nfs/dbraw/zinc/63/85/37/256638537.db2.gz PXCQUWGVWFKRJU-MRXNPFEDSA-N 1 2 369.425 2.648 20 5 FFBDLO Cc1ccn2cc(CNC(=O)N(C)CCc3ccccc3[N+](=O)[O-])[nH+]c2c1 ZINC000287327261 257083478 /nfs/dbraw/zinc/08/34/78/257083478.db2.gz FYOABDTXPLZAHO-UHFFFAOYSA-N 1 2 367.409 2.935 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000289366866 257276942 /nfs/dbraw/zinc/27/69/42/257276942.db2.gz AYFUFDVHRUUXEN-MNOVXSKESA-N 1 2 357.357 2.908 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000289366866 257276943 /nfs/dbraw/zinc/27/69/43/257276943.db2.gz AYFUFDVHRUUXEN-MNOVXSKESA-N 1 2 357.357 2.908 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000289409108 257279630 /nfs/dbraw/zinc/27/96/30/257279630.db2.gz ADHXNQXVEYPMQC-YPMHNXCESA-N 1 2 363.805 2.719 20 5 FFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000289409108 257279631 /nfs/dbraw/zinc/27/96/31/257279631.db2.gz ADHXNQXVEYPMQC-YPMHNXCESA-N 1 2 363.805 2.719 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000288990739 257244883 /nfs/dbraw/zinc/24/48/83/257244883.db2.gz FLRADLROJOUPGU-ZFWWWQNUSA-N 1 2 362.430 2.539 20 5 FFBDLO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC000291242892 257393506 /nfs/dbraw/zinc/39/35/06/257393506.db2.gz XPVIRWDDSYTDTK-UHFFFAOYSA-N 1 2 369.425 2.684 20 5 FFBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000301122775 258026634 /nfs/dbraw/zinc/02/66/34/258026634.db2.gz OIDBZZJGCLWHRT-UHFFFAOYSA-N 1 2 369.356 2.891 20 5 FFBDLO CNc1ccc(Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])c[nH+]1 ZINC000301258580 258037919 /nfs/dbraw/zinc/03/79/19/258037919.db2.gz RONXCARGZCFRQH-UHFFFAOYSA-N 1 2 358.326 2.771 20 5 FFBDLO COc1cc2nc(NCc3cccc([N+](=O)[O-])c3)[nH+]c(N)c2cc1OC ZINC000301271316 258039049 /nfs/dbraw/zinc/03/90/49/258039049.db2.gz VIAUVGWCRUQIRS-UHFFFAOYSA-N 1 2 355.354 2.750 20 5 FFBDLO CC(=O)c1ccc(N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000302386002 258100505 /nfs/dbraw/zinc/10/05/05/258100505.db2.gz CNGQJMWXKAKDER-JKIFEVAISA-N 1 2 361.442 2.875 20 5 FFBDLO CC(=O)c1ccc(N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000302386002 258100507 /nfs/dbraw/zinc/10/05/07/258100507.db2.gz CNGQJMWXKAKDER-JKIFEVAISA-N 1 2 361.442 2.875 20 5 FFBDLO CCc1cc(N[C@H]2CCN(C)C(=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302763576 258109963 /nfs/dbraw/zinc/10/99/63/258109963.db2.gz KWKXOFPYUPHEBG-AWEZNQCLSA-N 1 2 355.398 2.647 20 5 FFBDLO CC(C)NC(=O)c1ccc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c([N+](=O)[O-])c1 ZINC000301656030 258061441 /nfs/dbraw/zinc/06/14/41/258061441.db2.gz VABZPWOOCCWSDA-MRXNPFEDSA-N 1 2 370.409 2.786 20 5 FFBDLO COC(=O)c1cc([N+](=O)[O-])c(N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)cc1Cl ZINC000301679051 258062619 /nfs/dbraw/zinc/06/26/19/258062619.db2.gz RGMBEPIJBQBDDE-WDEREUQCSA-N 1 2 371.821 2.556 20 5 FFBDLO Cc1cc(N2CCCC[C@H]2CC(N)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301967582 258078430 /nfs/dbraw/zinc/07/84/30/258078430.db2.gz ZVIIWHOYXQSSLW-HNNXBMFYSA-N 1 2 355.398 2.595 20 5 FFBDLO CC(C)(C)[C@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1O ZINC000330693692 258168314 /nfs/dbraw/zinc/16/83/14/258168314.db2.gz CJYICGLAIRCLKJ-WFASDCNBSA-N 1 2 369.849 2.916 20 5 FFBDLO CC(C)(C)[C@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1O ZINC000330693692 258168315 /nfs/dbraw/zinc/16/83/15/258168315.db2.gz CJYICGLAIRCLKJ-WFASDCNBSA-N 1 2 369.849 2.916 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H]2CCCCN2C[C@H]1C ZINC000332007022 258209717 /nfs/dbraw/zinc/20/97/17/258209717.db2.gz JJQONTLPJIUVJF-WBVHZDCISA-N 1 2 360.458 2.790 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2CCCCN2C[C@H]1C ZINC000332007022 258209718 /nfs/dbraw/zinc/20/97/18/258209718.db2.gz JJQONTLPJIUVJF-WBVHZDCISA-N 1 2 360.458 2.790 20 5 FFBDLO CCN1CCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000332430951 258230243 /nfs/dbraw/zinc/23/02/43/258230243.db2.gz PYMKBGAOGITPPP-OAHLLOKOSA-N 1 2 358.402 2.537 20 5 FFBDLO Cn1c2c(cccc2F)[nH+]c1N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000409734132 512136526 /nfs/dbraw/zinc/13/65/26/512136526.db2.gz UNAVJCJXRJIBMS-NSHDSACASA-N 1 2 356.361 2.706 20 5 FFBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)CCC2 ZINC000370954979 512152015 /nfs/dbraw/zinc/15/20/15/512152015.db2.gz WSZDIEGATPLNLI-CYBMUJFWSA-N 1 2 362.817 2.989 20 5 FFBDLO O=C(NCCOc1ccc(F)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032165331 506234357 /nfs/dbraw/zinc/23/43/57/506234357.db2.gz NQBMLKMKDKBKKI-UHFFFAOYSA-N 1 2 370.340 2.728 20 5 FFBDLO C[C@H](Sc1nc2ccccc2c2[nH+]c3ccccc3n21)C(=O)NC(N)=O ZINC000004246562 506366539 /nfs/dbraw/zinc/36/65/39/506366539.db2.gz ZVRANLKBWOVWJC-JTQLQIEISA-N 1 2 365.418 2.711 20 5 FFBDLO C[C@H]1[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000377347245 512226182 /nfs/dbraw/zinc/22/61/82/512226182.db2.gz QVJKBELFWPQPOR-SUMWQHHRSA-N 1 2 355.394 2.693 20 5 FFBDLO C[C@H](NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000375250199 512232090 /nfs/dbraw/zinc/23/20/90/512232090.db2.gz SXFYAGLTJZGRIJ-JKIFEVAISA-N 1 2 354.410 2.940 20 5 FFBDLO Cn1c(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)ccc1[N+](=O)[O-] ZINC000410312477 512238261 /nfs/dbraw/zinc/23/82/61/512238261.db2.gz RRGALWUEPUOECN-UHFFFAOYSA-N 1 2 357.414 2.639 20 5 FFBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000369212477 512284986 /nfs/dbraw/zinc/28/49/86/512284986.db2.gz BYPJMCQOXPDUNB-LLVKDONJSA-N 1 2 367.203 2.704 20 5 FFBDLO COC(=O)C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000054394525 506551736 /nfs/dbraw/zinc/55/17/36/506551736.db2.gz YFNYLPCBEKHGTQ-GFCCVEGCSA-N 1 2 369.805 2.604 20 5 FFBDLO COC(=O)C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000054394525 506551741 /nfs/dbraw/zinc/55/17/41/506551741.db2.gz YFNYLPCBEKHGTQ-GFCCVEGCSA-N 1 2 369.805 2.604 20 5 FFBDLO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[NH+](Cc2ccco2)CC1 ZINC000041843166 506558663 /nfs/dbraw/zinc/55/86/63/506558663.db2.gz NMMDULRATQQYBH-UHFFFAOYSA-N 1 2 354.366 2.627 20 5 FFBDLO Cc1cc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)nc(C(C)C)[nH+]1 ZINC000011010135 506762714 /nfs/dbraw/zinc/76/27/14/506762714.db2.gz DIRQKRRJXLHSEE-UHFFFAOYSA-N 1 2 369.425 2.779 20 5 FFBDLO O=C(NCCc1cn2ccccc2[nH+]1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000011534804 506779659 /nfs/dbraw/zinc/77/96/59/506779659.db2.gz FSRCOKBVVJNKJZ-UHFFFAOYSA-N 1 2 365.393 2.789 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000067536681 506915645 /nfs/dbraw/zinc/91/56/45/506915645.db2.gz ZWPNAXAEWIMELI-QGZVFWFLSA-N 1 2 365.393 2.917 20 5 FFBDLO CC(C)c1nnc2n1CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]2C ZINC000367043869 512311408 /nfs/dbraw/zinc/31/14/08/512311408.db2.gz SNXKTRSSVAKOQI-ZDUSSCGKSA-N 1 2 372.429 2.715 20 5 FFBDLO CC(C)c1nnc2n1CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]2C ZINC000367043869 512311413 /nfs/dbraw/zinc/31/14/13/512311413.db2.gz SNXKTRSSVAKOQI-ZDUSSCGKSA-N 1 2 372.429 2.715 20 5 FFBDLO Nc1ccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1[N+](=O)[O-] ZINC000014524663 506992121 /nfs/dbraw/zinc/99/21/21/506992121.db2.gz ATJRNOZEASJCPX-UHFFFAOYSA-N 1 2 361.427 2.872 20 5 FFBDLO COc1ccccc1C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000016564095 507096507 /nfs/dbraw/zinc/09/65/07/507096507.db2.gz VNIYOHFIHLJZBE-UHFFFAOYSA-N 1 2 359.382 2.683 20 5 FFBDLO COc1ccccc1C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000016564095 507096515 /nfs/dbraw/zinc/09/65/15/507096515.db2.gz VNIYOHFIHLJZBE-UHFFFAOYSA-N 1 2 359.382 2.683 20 5 FFBDLO O=C(COc1ccccc1[N+](=O)[O-])NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000047417630 507326958 /nfs/dbraw/zinc/32/69/58/507326958.db2.gz QXDOVEADNNPBHA-UHFFFAOYSA-N 1 2 370.409 2.675 20 5 FFBDLO COC(=O)C1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000057825158 507335882 /nfs/dbraw/zinc/33/58/82/507335882.db2.gz PRRSDMLOPKRXPF-UHFFFAOYSA-N 1 2 356.382 2.750 20 5 FFBDLO CCc1ccccc1NC(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047743540 507387488 /nfs/dbraw/zinc/38/74/88/507387488.db2.gz XBQDYAYQHBUOLA-UHFFFAOYSA-N 1 2 368.437 2.918 20 5 FFBDLO CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047743862 507388090 /nfs/dbraw/zinc/38/80/90/507388090.db2.gz SFEGHKFMEJYINX-IBGZPJMESA-N 1 2 368.437 2.546 20 5 FFBDLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1ccc([N+](=O)[O-])s1 ZINC000026216065 507568410 /nfs/dbraw/zinc/56/84/10/507568410.db2.gz CUOOMYACQHLXEV-UHFFFAOYSA-N 1 2 356.407 2.874 20 5 FFBDLO CCN(CC)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2OC)c[nH+]1 ZINC000060759890 507576717 /nfs/dbraw/zinc/57/67/17/507576717.db2.gz SRURMQRYWCDIPU-UHFFFAOYSA-N 1 2 358.398 2.775 20 5 FFBDLO COc1ccccc1CNC(=O)[C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348885 507580866 /nfs/dbraw/zinc/58/08/66/507580866.db2.gz YYCJMVYYFKHZCS-AWEZNQCLSA-N 1 2 357.410 2.740 20 5 FFBDLO COc1ccccc1CNC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348885 507580873 /nfs/dbraw/zinc/58/08/73/507580873.db2.gz YYCJMVYYFKHZCS-AWEZNQCLSA-N 1 2 357.410 2.740 20 5 FFBDLO O=C(NCc1cn2ccccc2[nH+]1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000028833609 507745172 /nfs/dbraw/zinc/74/51/72/507745172.db2.gz HLBOEADGSILWBY-UHFFFAOYSA-N 1 2 365.393 2.773 20 5 FFBDLO O=[N+]([O-])c1cccnc1N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000064114992 507785553 /nfs/dbraw/zinc/78/55/53/507785553.db2.gz KRNCIICYAZMLMH-UHFFFAOYSA-N 1 2 372.816 2.613 20 5 FFBDLO Cc1c(C[NH+]2CCN(C(=O)Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000051831165 507787650 /nfs/dbraw/zinc/78/76/50/507787650.db2.gz GLLIYUCXAYRBOU-UHFFFAOYSA-N 1 2 353.422 2.790 20 5 FFBDLO Cc1cccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000030696433 507812333 /nfs/dbraw/zinc/81/23/33/507812333.db2.gz SUBDLGYCESWPKU-SFHVURJKSA-N 1 2 369.421 2.707 20 5 FFBDLO CCN(C(=O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000030911365 507814691 /nfs/dbraw/zinc/81/46/91/507814691.db2.gz YXUIPFFARUQZFZ-UHFFFAOYSA-N 1 2 368.437 2.770 20 5 FFBDLO CCC1(O)CC[NH+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000072724146 507848303 /nfs/dbraw/zinc/84/83/03/507848303.db2.gz QWCVZCFNTUMUKU-LLVKDONJSA-N 1 2 355.822 2.812 20 5 FFBDLO Cc1cnc(NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000078630998 507891213 /nfs/dbraw/zinc/89/12/13/507891213.db2.gz CUUGJKDGRGLUPI-OKILXGFUSA-N 1 2 357.414 2.919 20 5 FFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000090553018 507927416 /nfs/dbraw/zinc/92/74/16/507927416.db2.gz XQRJRMIFIDFABV-FQEVSTJZSA-N 1 2 364.405 2.663 20 5 FFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000090553018 507927417 /nfs/dbraw/zinc/92/74/17/507927417.db2.gz XQRJRMIFIDFABV-FQEVSTJZSA-N 1 2 364.405 2.663 20 5 FFBDLO Cc1ccc2ncc(C[NH+]3CCN(c4cccc([N+](=O)[O-])c4)CC3)n2c1 ZINC000092048340 508037715 /nfs/dbraw/zinc/03/77/15/508037715.db2.gz AESUGXSPDPXXHX-UHFFFAOYSA-N 1 2 351.410 2.873 20 5 FFBDLO Cc1ccc2[nH+]cc(CN3CCN(c4cccc([N+](=O)[O-])c4)CC3)n2c1 ZINC000092048340 508037718 /nfs/dbraw/zinc/03/77/18/508037718.db2.gz AESUGXSPDPXXHX-UHFFFAOYSA-N 1 2 351.410 2.873 20 5 FFBDLO CNC(=O)c1ccc(NCCc2cn3cccc(C)c3[nH+]2)c([N+](=O)[O-])c1 ZINC000080676171 508093883 /nfs/dbraw/zinc/09/38/83/508093883.db2.gz HODVRIZMPTXFKF-UHFFFAOYSA-N 1 2 353.382 2.565 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+](C)Cc2ccc(Cl)nc2)c([N+](=O)[O-])c1 ZINC000080911090 508110709 /nfs/dbraw/zinc/11/07/09/508110709.db2.gz ATDHHFJAWIKTBJ-UHFFFAOYSA-N 1 2 364.789 2.722 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(Cl)nc2)c([N+](=O)[O-])c1 ZINC000080911090 508110711 /nfs/dbraw/zinc/11/07/11/508110711.db2.gz ATDHHFJAWIKTBJ-UHFFFAOYSA-N 1 2 364.789 2.722 20 5 FFBDLO C[C@@H]1CN(c2ccc(CNC(=O)c3cccc([N+](=O)[O-])c3)c[nH+]2)C[C@@H](C)O1 ZINC000076236405 508173957 /nfs/dbraw/zinc/17/39/57/508173957.db2.gz OCJRDYPBUCTJRI-ZIAGYGMSSA-N 1 2 370.409 2.533 20 5 FFBDLO Cc1ccc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c(C[NH+](C)C)c1 ZINC000114054183 508292460 /nfs/dbraw/zinc/29/24/60/508292460.db2.gz MFPHUXGRVSDYCL-UHFFFAOYSA-N 1 2 367.402 2.905 20 5 FFBDLO O=C(Nc1nccs1)[C@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000114471599 508319855 /nfs/dbraw/zinc/31/98/55/508319855.db2.gz ZGBRIBOCLCQCMP-CQSZACIVSA-N 1 2 362.411 2.533 20 5 FFBDLO O=C(Nc1nccs1)[C@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000114471599 508319856 /nfs/dbraw/zinc/31/98/56/508319856.db2.gz ZGBRIBOCLCQCMP-CQSZACIVSA-N 1 2 362.411 2.533 20 5 FFBDLO O=[N+]([O-])c1cccc(N2CC[NH+](CC[S@](=O)c3ccccc3)CC2)c1 ZINC000104674248 508340885 /nfs/dbraw/zinc/34/08/85/508340885.db2.gz NGGHVMWIKCIPPQ-RUZDIDTESA-N 1 2 359.451 2.525 20 5 FFBDLO CCOc1cccc(CNC(=O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000088607578 508378698 /nfs/dbraw/zinc/37/86/98/508378698.db2.gz QAJUMVRASUPRJY-UHFFFAOYSA-N 1 2 369.421 2.668 20 5 FFBDLO CCOc1cccc(CNC(=O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000088607578 508378701 /nfs/dbraw/zinc/37/87/01/508378701.db2.gz QAJUMVRASUPRJY-UHFFFAOYSA-N 1 2 369.421 2.668 20 5 FFBDLO C[C@H]1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000134048573 508485682 /nfs/dbraw/zinc/48/56/82/508485682.db2.gz FROBUUFBGDFFNG-UGSOOPFHSA-N 1 2 369.425 2.771 20 5 FFBDLO O=[N+]([O-])c1nn(Cc2[nH+]ccn2Cc2ccccc2)cc1Br ZINC000116797077 508562919 /nfs/dbraw/zinc/56/29/19/508562919.db2.gz AKCNSYJABIOSSL-UHFFFAOYSA-N 1 2 362.187 2.847 20 5 FFBDLO COc1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000128526352 508606193 /nfs/dbraw/zinc/60/61/93/508606193.db2.gz SICBUMGBDMAXHN-ZDUSSCGKSA-N 1 2 355.394 2.989 20 5 FFBDLO COc1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000128526352 508606197 /nfs/dbraw/zinc/60/61/97/508606197.db2.gz SICBUMGBDMAXHN-ZDUSSCGKSA-N 1 2 355.394 2.989 20 5 FFBDLO O=C1[C@H]([N@@H+]2CCc3cccc(F)c3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000157903489 508629986 /nfs/dbraw/zinc/62/99/86/508629986.db2.gz YIRUAOMUFDRRJN-GOSISDBHSA-N 1 2 355.369 2.898 20 5 FFBDLO O=C1[C@H]([N@H+]2CCc3cccc(F)c3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000157903489 508629988 /nfs/dbraw/zinc/62/99/88/508629988.db2.gz YIRUAOMUFDRRJN-GOSISDBHSA-N 1 2 355.369 2.898 20 5 FFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCOC2(CCOCC2)C1 ZINC000135606166 508631657 /nfs/dbraw/zinc/63/16/57/508631657.db2.gz PIZJJDIJTZHEJK-ZDUSSCGKSA-N 1 2 374.397 2.587 20 5 FFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCOC2(CCOCC2)C1 ZINC000135606166 508631661 /nfs/dbraw/zinc/63/16/61/508631661.db2.gz PIZJJDIJTZHEJK-ZDUSSCGKSA-N 1 2 374.397 2.587 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCc2ccccc2F)CC1 ZINC000137609113 508761351 /nfs/dbraw/zinc/76/13/51/508761351.db2.gz TXAPVZCSWFYXBH-UHFFFAOYSA-N 1 2 357.385 2.734 20 5 FFBDLO COc1cccc(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000138676890 508776985 /nfs/dbraw/zinc/77/69/85/508776985.db2.gz IVSDYCXYQOWHMP-UHFFFAOYSA-N 1 2 355.394 2.561 20 5 FFBDLO COc1cc(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)ccc1[N+](=O)[O-] ZINC000159102946 508792712 /nfs/dbraw/zinc/79/27/12/508792712.db2.gz MNZXMIDNNZDKBI-UHFFFAOYSA-N 1 2 369.421 2.870 20 5 FFBDLO C[C@H](Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000154806538 508859757 /nfs/dbraw/zinc/85/97/57/508859757.db2.gz CMYKKCJEGVCEDJ-IFXJQAMLSA-N 1 2 369.421 2.957 20 5 FFBDLO C[C@H](Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000154806538 508859761 /nfs/dbraw/zinc/85/97/61/508859761.db2.gz CMYKKCJEGVCEDJ-IFXJQAMLSA-N 1 2 369.421 2.957 20 5 FFBDLO CCCn1c(C)nnc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000159837142 508898493 /nfs/dbraw/zinc/89/84/93/508898493.db2.gz ZEYWEECOYWNZMT-UHFFFAOYSA-N 1 2 359.430 2.948 20 5 FFBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000160333282 508971845 /nfs/dbraw/zinc/97/18/45/508971845.db2.gz UUQYAIFZIGNVEU-UHFFFAOYSA-N 1 2 369.425 2.501 20 5 FFBDLO COCC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccc(C)o1 ZINC000125427673 508981152 /nfs/dbraw/zinc/98/11/52/508981152.db2.gz PKBHQVAMMZMBNN-UHFFFAOYSA-N 1 2 373.409 2.534 20 5 FFBDLO COCC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccc(C)o1 ZINC000125427673 508981156 /nfs/dbraw/zinc/98/11/56/508981156.db2.gz PKBHQVAMMZMBNN-UHFFFAOYSA-N 1 2 373.409 2.534 20 5 FFBDLO CN(CCCn1cc[nH+]c1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000151248240 508985825 /nfs/dbraw/zinc/98/58/25/508985825.db2.gz UTFDIJHBFCJVIU-UHFFFAOYSA-N 1 2 356.304 2.972 20 5 FFBDLO O=C(NCc1cn2cc(Br)ccc2[nH+]1)c1ccc([N+](=O)[O-])o1 ZINC000155678753 509051458 /nfs/dbraw/zinc/05/14/58/509051458.db2.gz IKHDTEOEZDJRON-UHFFFAOYSA-N 1 2 365.143 2.528 20 5 FFBDLO CSc1ccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000161375632 509108559 /nfs/dbraw/zinc/10/85/59/509108559.db2.gz BKYCCMAXSXNEQR-ZDUSSCGKSA-N 1 2 358.423 2.720 20 5 FFBDLO COc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000191952557 509260611 /nfs/dbraw/zinc/26/06/11/509260611.db2.gz DEXVRCKYYGIHLV-UHFFFAOYSA-N 1 2 373.409 2.513 20 5 FFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000162681108 509279280 /nfs/dbraw/zinc/27/92/80/509279280.db2.gz JIIKXALVQSALHI-UHFFFAOYSA-N 1 2 369.425 2.956 20 5 FFBDLO CCOC(=O)c1ccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)o1 ZINC000179590464 509526692 /nfs/dbraw/zinc/52/66/92/509526692.db2.gz XQKICHMIBYUEPM-UHFFFAOYSA-N 1 2 359.382 2.687 20 5 FFBDLO CCCN1CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1=O ZINC000189366116 509540168 /nfs/dbraw/zinc/54/01/68/509540168.db2.gz HGOJQPGYTUPRNN-ZDUSSCGKSA-N 1 2 373.413 2.650 20 5 FFBDLO CCCN1CCC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1=O ZINC000189366116 509540174 /nfs/dbraw/zinc/54/01/74/509540174.db2.gz HGOJQPGYTUPRNN-ZDUSSCGKSA-N 1 2 373.413 2.650 20 5 FFBDLO CCOC(=O)c1nn(C)cc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000186182917 509563418 /nfs/dbraw/zinc/56/34/18/509563418.db2.gz SIQQWZQAXOETLI-UHFFFAOYSA-N 1 2 358.398 2.670 20 5 FFBDLO CCOC(=O)c1nn(C)cc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000186182917 509563425 /nfs/dbraw/zinc/56/34/25/509563425.db2.gz SIQQWZQAXOETLI-UHFFFAOYSA-N 1 2 358.398 2.670 20 5 FFBDLO C[S@@](=O)C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 ZINC000183133816 509617971 /nfs/dbraw/zinc/61/79/71/509617971.db2.gz HVZJIXIKOLWAAD-ODCWNRFASA-N 1 2 359.407 2.945 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3nc(-c4ccccc4)no3)C2)nc1 ZINC000173464355 509618270 /nfs/dbraw/zinc/61/82/70/509618270.db2.gz NDDCWPHDDSMHHV-CQSZACIVSA-N 1 2 366.381 2.726 20 5 FFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3nc(-c4ccccc4)no3)C2)nc1 ZINC000173464355 509618274 /nfs/dbraw/zinc/61/82/74/509618274.db2.gz NDDCWPHDDSMHHV-CQSZACIVSA-N 1 2 366.381 2.726 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCO[C@@H](c2ccco2)C1 ZINC000176724603 509660402 /nfs/dbraw/zinc/66/04/02/509660402.db2.gz AGNWDCVJVWGHCK-QGZVFWFLSA-N 1 2 368.349 2.587 20 5 FFBDLO Cc1c(NC(=O)CC[N@@H+](C)CC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000170645923 509694357 /nfs/dbraw/zinc/69/43/57/509694357.db2.gz FMTCIYPJQKGYIK-UHFFFAOYSA-N 1 2 351.403 2.505 20 5 FFBDLO Cc1c(NC(=O)CC[N@H+](C)CC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000170645923 509694362 /nfs/dbraw/zinc/69/43/62/509694362.db2.gz FMTCIYPJQKGYIK-UHFFFAOYSA-N 1 2 351.403 2.505 20 5 FFBDLO CCc1ccc(C[NH+]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)CC2)s1 ZINC000176810765 509703759 /nfs/dbraw/zinc/70/37/59/509703759.db2.gz NLTDZJGIBQYJFW-UHFFFAOYSA-N 1 2 374.466 2.759 20 5 FFBDLO Cc1noc(C)c1C[NH+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000177025069 509826665 /nfs/dbraw/zinc/82/66/65/509826665.db2.gz AWTKOFKUHGMNQH-UHFFFAOYSA-N 1 2 371.397 2.659 20 5 FFBDLO CC(C)c1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000189935780 509838745 /nfs/dbraw/zinc/83/87/45/509838745.db2.gz SUZOBROSCNXIQF-MRXNPFEDSA-N 1 2 361.442 2.655 20 5 FFBDLO CCc1nsc(N2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000255313299 509923137 /nfs/dbraw/zinc/92/31/37/509923137.db2.gz YTIOTQVVJMUQII-ALCCZGGFSA-N 1 2 359.455 2.844 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000265222895 509930112 /nfs/dbraw/zinc/93/01/12/509930112.db2.gz GNNRROWZFSHEQF-OAHLLOKOSA-N 1 2 354.410 2.817 20 5 FFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000245445870 509939892 /nfs/dbraw/zinc/93/98/92/509939892.db2.gz ZHJXVTUETATOTL-XPTSAGLGSA-N 1 2 372.303 2.705 20 5 FFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000245445870 509939902 /nfs/dbraw/zinc/93/99/02/509939902.db2.gz ZHJXVTUETATOTL-XPTSAGLGSA-N 1 2 372.303 2.705 20 5 FFBDLO COC(=O)c1cnc(NCCCc2[nH]c3ccccc3[nH+]2)c([N+](=O)[O-])c1 ZINC000190165689 509980474 /nfs/dbraw/zinc/98/04/74/509980474.db2.gz UGJFQLLPSFSBKX-UHFFFAOYSA-N 1 2 355.354 2.697 20 5 FFBDLO CCn1c(CCNc2ncc(C(=O)OC)cc2[N+](=O)[O-])[nH+]c2ccccc21 ZINC000190170582 509983468 /nfs/dbraw/zinc/98/34/68/509983468.db2.gz JERFCOAYHJRARH-UHFFFAOYSA-N 1 2 369.381 2.801 20 5 FFBDLO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000193679384 510017563 /nfs/dbraw/zinc/01/75/63/510017563.db2.gz NRGGQVAEFJMWPI-NSHDSACASA-N 1 2 367.365 2.681 20 5 FFBDLO Cc1nnc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1C1CC1 ZINC000174244537 510021636 /nfs/dbraw/zinc/02/16/36/510021636.db2.gz BWFSKMWWJPXSGK-UHFFFAOYSA-N 1 2 357.414 2.873 20 5 FFBDLO CCc1cc(NC[C@@H](C)c2nncn2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000190285453 510044194 /nfs/dbraw/zinc/04/41/94/510044194.db2.gz NQGZRQRKXBQUAJ-GFCCVEGCSA-N 1 2 367.413 2.958 20 5 FFBDLO Cc1c(NC(=O)c2ccccc2C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000265769119 510220353 /nfs/dbraw/zinc/22/03/53/510220353.db2.gz JEWTUGVOUNXVPE-UHFFFAOYSA-N 1 2 355.394 2.988 20 5 FFBDLO C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nccs1 ZINC000184299060 510247118 /nfs/dbraw/zinc/24/71/18/510247118.db2.gz CKASBTXFCDIUNE-LLVKDONJSA-N 1 2 357.395 2.771 20 5 FFBDLO CC(C)(C)c1[nH]c2ccc(NC(=O)CCn3cc([N+](=O)[O-])cn3)cc2[nH+]1 ZINC000194320351 510309424 /nfs/dbraw/zinc/30/94/24/510309424.db2.gz IWVGGVLNJZNBEZ-UHFFFAOYSA-N 1 2 356.386 2.994 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2nccs2)c([N+](=O)[O-])c1 ZINC000184419280 510315381 /nfs/dbraw/zinc/31/53/81/510315381.db2.gz RTBUMKXYOKHLEA-UWVGGRQHSA-N 1 2 350.400 2.738 20 5 FFBDLO Cc1cc(C[NH+]2CCN(Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)on1 ZINC000174813350 510324571 /nfs/dbraw/zinc/32/45/71/510324571.db2.gz NOKSNIJDHUXSEN-UHFFFAOYSA-N 1 2 350.806 2.862 20 5 FFBDLO Cc1nn(C)c(C)c1C[NH+]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266504104 510626211 /nfs/dbraw/zinc/62/62/11/510626211.db2.gz AZWGBRZWTWFXSL-INIZCTEOSA-N 1 2 357.458 2.824 20 5 FFBDLO Cc1nn(C)c(C)c1CN1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266504104 510626221 /nfs/dbraw/zinc/62/62/21/510626221.db2.gz AZWGBRZWTWFXSL-INIZCTEOSA-N 1 2 357.458 2.824 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000191390872 510635711 /nfs/dbraw/zinc/63/57/11/510635711.db2.gz WXQHADIOUDZBDW-UHFFFAOYSA-N 1 2 369.425 2.956 20 5 FFBDLO C[C@H]1Cc2ccccc2C[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181912492 510656256 /nfs/dbraw/zinc/65/62/56/510656256.db2.gz FTABXUHOZBMXTM-AWEZNQCLSA-N 1 2 360.435 2.815 20 5 FFBDLO C[C@H]1Cc2ccccc2C[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181912492 510656261 /nfs/dbraw/zinc/65/62/61/510656261.db2.gz FTABXUHOZBMXTM-AWEZNQCLSA-N 1 2 360.435 2.815 20 5 FFBDLO C[C@H](C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185140639 510707745 /nfs/dbraw/zinc/70/77/45/510707745.db2.gz OMXLEGHSJDMBOX-STQMWFEESA-N 1 2 358.373 2.628 20 5 FFBDLO O=C(C[N@H+]1CC=C(C(F)(F)F)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000270228253 510725541 /nfs/dbraw/zinc/72/55/41/510725541.db2.gz TVQBOAYSLHNMKU-UHFFFAOYSA-N 1 2 355.316 2.678 20 5 FFBDLO O=C(C[N@@H+]1CC=C(C(F)(F)F)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000270228253 510725545 /nfs/dbraw/zinc/72/55/45/510725545.db2.gz TVQBOAYSLHNMKU-UHFFFAOYSA-N 1 2 355.316 2.678 20 5 FFBDLO Cc1cc(N2CC[C@@](O)(C(F)(F)F)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000266719054 510747568 /nfs/dbraw/zinc/74/75/68/510747568.db2.gz LCKRZNTXKMLOOL-HNNXBMFYSA-N 1 2 368.315 2.864 20 5 FFBDLO CS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000282264128 510907740 /nfs/dbraw/zinc/90/77/40/510907740.db2.gz CAGZOZRDJPQTLJ-CYBMUJFWSA-N 1 2 366.464 2.942 20 5 FFBDLO CS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000282264128 510907744 /nfs/dbraw/zinc/90/77/44/510907744.db2.gz CAGZOZRDJPQTLJ-CYBMUJFWSA-N 1 2 366.464 2.942 20 5 FFBDLO Nc1ccc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1[N+](=O)[O-] ZINC000282542126 511019548 /nfs/dbraw/zinc/01/95/48/511019548.db2.gz CXOGMWBYUZVURB-CQSZACIVSA-N 1 2 369.425 2.730 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000364739450 511054347 /nfs/dbraw/zinc/05/43/47/511054347.db2.gz OKWOGPVIZYEAFH-UHFFFAOYSA-N 1 2 352.354 2.806 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000294974738 511240889 /nfs/dbraw/zinc/24/08/89/511240889.db2.gz TWXJZTHEAQNYGB-HKUYNNGSSA-N 1 2 368.393 2.564 20 5 FFBDLO C[C@@H](NC(=O)N1CC[NH+](Cc2cccnc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000271617016 511264312 /nfs/dbraw/zinc/26/43/12/511264312.db2.gz DHMWQONIYWEVKH-OAHLLOKOSA-N 1 2 369.425 2.578 20 5 FFBDLO Cn1ccnc1[C@H]1[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000295863005 511539569 /nfs/dbraw/zinc/53/95/69/511539569.db2.gz JIKZPNWHTKDUQX-MRXNPFEDSA-N 1 2 357.414 2.740 20 5 FFBDLO Cn1ccnc1[C@H]1[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000295863005 511539574 /nfs/dbraw/zinc/53/95/74/511539574.db2.gz JIKZPNWHTKDUQX-MRXNPFEDSA-N 1 2 357.414 2.740 20 5 FFBDLO Cc1cc(Cl)c(C(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000295863935 511539898 /nfs/dbraw/zinc/53/98/98/511539898.db2.gz XARIXLVRZBEDNZ-UHFFFAOYSA-N 1 2 374.828 2.910 20 5 FFBDLO O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000280686422 511563906 /nfs/dbraw/zinc/56/39/06/511563906.db2.gz DBKZWXUTJYXHRW-UHFFFAOYSA-N 1 2 373.384 2.788 20 5 FFBDLO O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000280686422 511563910 /nfs/dbraw/zinc/56/39/10/511563910.db2.gz DBKZWXUTJYXHRW-UHFFFAOYSA-N 1 2 373.384 2.788 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000365637180 511574200 /nfs/dbraw/zinc/57/42/00/511574200.db2.gz TXDNEUFMZYYHCM-HNNXBMFYSA-N 1 2 371.441 2.927 20 5 FFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c(F)c1 ZINC000284298925 511673805 /nfs/dbraw/zinc/67/38/05/511673805.db2.gz UXHQFGRUVTZUOQ-NSHDSACASA-N 1 2 363.368 2.790 20 5 FFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c(F)c1 ZINC000284298925 511673810 /nfs/dbraw/zinc/67/38/10/511673810.db2.gz UXHQFGRUVTZUOQ-NSHDSACASA-N 1 2 363.368 2.790 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000363722878 511725817 /nfs/dbraw/zinc/72/58/17/511725817.db2.gz HLSISNCXCKKIME-UHFFFAOYSA-N 1 2 359.386 2.500 20 5 FFBDLO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000292815369 511730507 /nfs/dbraw/zinc/73/05/07/511730507.db2.gz NNIIDMWAJLRICW-LBPRGKRZSA-N 1 2 366.361 2.623 20 5 FFBDLO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000292815369 511730511 /nfs/dbraw/zinc/73/05/11/511730511.db2.gz NNIIDMWAJLRICW-LBPRGKRZSA-N 1 2 366.361 2.623 20 5 FFBDLO O=[N+]([O-])c1ccc2c(ccnc2NCc2cc[nH+]c(N3CCOCC3)c2)c1 ZINC000296523491 511780688 /nfs/dbraw/zinc/78/06/88/511780688.db2.gz MVRDGXCSBMUDIH-UHFFFAOYSA-N 1 2 365.393 2.987 20 5 FFBDLO C[C@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000323948307 511832805 /nfs/dbraw/zinc/83/28/05/511832805.db2.gz WCXVXRHXEAFPAG-OAHLLOKOSA-N 1 2 369.421 2.895 20 5 FFBDLO C[C@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000323948307 511832809 /nfs/dbraw/zinc/83/28/09/511832809.db2.gz WCXVXRHXEAFPAG-OAHLLOKOSA-N 1 2 369.421 2.895 20 5 FFBDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)c1ccccc1[N+](=O)[O-] ZINC000274594218 511883731 /nfs/dbraw/zinc/88/37/31/511883731.db2.gz KWXNMLYECNBEPY-OAHLLOKOSA-N 1 2 369.425 2.578 20 5 FFBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000366340715 511965316 /nfs/dbraw/zinc/96/53/16/511965316.db2.gz QIADWXDSDWWDPQ-CQSZACIVSA-N 1 2 357.366 2.682 20 5 FFBDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000297013315 511987267 /nfs/dbraw/zinc/98/72/67/511987267.db2.gz ZSCCLCHCODVYEZ-HNNXBMFYSA-N 1 2 369.425 2.578 20 5 FFBDLO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281964774 512029756 /nfs/dbraw/zinc/02/97/56/512029756.db2.gz DYDWIVCHIJYMTM-CYBMUJFWSA-N 1 2 370.413 2.934 20 5 FFBDLO CCOC(=O)c1cc(NCc2cccnc2-n2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000378053853 512565681 /nfs/dbraw/zinc/56/56/81/512565681.db2.gz NHHWTEUQZZVAKA-UHFFFAOYSA-N 1 2 367.365 2.964 20 5 FFBDLO Cc1ccc([C@@H](C)NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000378263150 512664533 /nfs/dbraw/zinc/66/45/33/512664533.db2.gz HIDAHJZHBXKWIO-HIFRSBDPSA-N 1 2 357.414 2.897 20 5 FFBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000374378303 512802115 /nfs/dbraw/zinc/80/21/15/512802115.db2.gz BFJQUACGTPGMCU-STQMWFEESA-N 1 2 360.439 2.825 20 5 FFBDLO Cc1cn2c([nH+]1)CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)CC2 ZINC000374651118 512936893 /nfs/dbraw/zinc/93/68/93/512936893.db2.gz ZTFQMNMHADJMGE-UHFFFAOYSA-N 1 2 365.187 2.518 20 5 FFBDLO Cc1cccc2[nH+]c(CNC(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)cn21 ZINC000412093929 512958034 /nfs/dbraw/zinc/95/80/34/512958034.db2.gz JYNXTEXLVWHXEG-DLBZAZTESA-N 1 2 350.378 2.971 20 5 FFBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000372722739 513015937 /nfs/dbraw/zinc/01/59/37/513015937.db2.gz APIXMKNGIKTRIV-HNNXBMFYSA-N 1 2 357.414 2.519 20 5 FFBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])CCC2 ZINC000372820293 513058981 /nfs/dbraw/zinc/05/89/81/513058981.db2.gz GWPNWLRBYZPYRV-AWEZNQCLSA-N 1 2 357.414 2.819 20 5 FFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000439926649 513212967 /nfs/dbraw/zinc/21/29/67/513212967.db2.gz WRWVDLMBKVZMHW-HOTGVXAUSA-N 1 2 370.409 2.669 20 5 FFBDLO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C[C@@H]1C ZINC000450500784 513222893 /nfs/dbraw/zinc/22/28/93/513222893.db2.gz OEASKYBKAHKMOK-QWHCGFSZSA-N 1 2 357.414 2.540 20 5 FFBDLO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C[C@@H]1C ZINC000450500784 513222901 /nfs/dbraw/zinc/22/29/01/513222901.db2.gz OEASKYBKAHKMOK-QWHCGFSZSA-N 1 2 357.414 2.540 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000446485612 513269909 /nfs/dbraw/zinc/26/99/09/513269909.db2.gz QOMLCAQYIAJCRV-UHFFFAOYSA-N 1 2 357.292 2.984 20 5 FFBDLO O=C([C@@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1)N1CCCC1 ZINC000413148036 513482534 /nfs/dbraw/zinc/48/25/34/513482534.db2.gz SBZILVZGEVAWCH-OAHLLOKOSA-N 1 2 354.410 2.982 20 5 FFBDLO CCc1cc(N)nc(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[nH+]1 ZINC000447785681 513567461 /nfs/dbraw/zinc/56/74/61/513567461.db2.gz JIAOCEBEIMZELF-UHFFFAOYSA-N 1 2 358.383 2.702 20 5 FFBDLO CC(C)c1ccc(C[NH+]2CCC(CS(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000430152312 513571501 /nfs/dbraw/zinc/57/15/01/513571501.db2.gz WIWNULDGDYCYQK-UHFFFAOYSA-N 1 2 354.472 2.975 20 5 FFBDLO COC(=O)[C@H](CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000425455660 513574773 /nfs/dbraw/zinc/57/47/73/513574773.db2.gz IHFQYHYBEJMCEJ-QGZVFWFLSA-N 1 2 355.394 2.695 20 5 FFBDLO COC(=O)[C@H](CC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000425455660 513574776 /nfs/dbraw/zinc/57/47/76/513574776.db2.gz IHFQYHYBEJMCEJ-QGZVFWFLSA-N 1 2 355.394 2.695 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@H](O)C1CCCCC1 ZINC000447803690 513575886 /nfs/dbraw/zinc/57/58/86/513575886.db2.gz UJBDFZXLYIIHCX-IBGZPJMESA-N 1 2 363.458 2.780 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@H]1CCOC2(CCC2)C1 ZINC000447812291 513578351 /nfs/dbraw/zinc/57/83/51/513578351.db2.gz KVUATVJVPSGHCU-INIZCTEOSA-N 1 2 361.442 2.941 20 5 FFBDLO CC(C)CO[C@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447815298 513580015 /nfs/dbraw/zinc/58/00/15/513580015.db2.gz CVFQAYFPGXNIPS-KRWDZBQOSA-N 1 2 363.458 2.678 20 5 FFBDLO C[C@@H](O)[C@@H]1CCN(c2cc(N[C@@H](C)c3ccc([N+](=O)[O-])cc3)[nH+]cn2)C1 ZINC000413339532 513602678 /nfs/dbraw/zinc/60/26/78/513602678.db2.gz YRJHTNRRGZUHAI-GZBFAFLISA-N 1 2 357.414 2.765 20 5 FFBDLO C[C@@H](O)[C@@H]1CCN(c2cc(N[C@@H](C)c3ccc([N+](=O)[O-])cc3)nc[nH+]2)C1 ZINC000413339532 513602682 /nfs/dbraw/zinc/60/26/82/513602682.db2.gz YRJHTNRRGZUHAI-GZBFAFLISA-N 1 2 357.414 2.765 20 5 FFBDLO Cc1cc(N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)c(Br)cc1[N+](=O)[O-] ZINC000418993066 513710246 /nfs/dbraw/zinc/71/02/46/513710246.db2.gz GLYDTGGXVPYCGL-RYUDHWBXSA-N 1 2 372.263 2.557 20 5 FFBDLO Cc1cc(N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)c(Br)cc1[N+](=O)[O-] ZINC000418993066 513710250 /nfs/dbraw/zinc/71/02/50/513710250.db2.gz GLYDTGGXVPYCGL-RYUDHWBXSA-N 1 2 372.263 2.557 20 5 FFBDLO O=C(N[C@H]1CCCC12CCOCC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451478202 513775029 /nfs/dbraw/zinc/77/50/29/513775029.db2.gz YRPWZFLDBCFKJV-KRWDZBQOSA-N 1 2 370.409 2.860 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CCSC[C@@H]2C2CCC2)c([N+](=O)[O-])c1 ZINC000419363542 513788488 /nfs/dbraw/zinc/78/84/88/513788488.db2.gz CYIUEZGGWKKTOV-MRXNPFEDSA-N 1 2 365.455 2.759 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CCSC[C@@H]2C2CCC2)c([N+](=O)[O-])c1 ZINC000419363542 513788494 /nfs/dbraw/zinc/78/84/94/513788494.db2.gz CYIUEZGGWKKTOV-MRXNPFEDSA-N 1 2 365.455 2.759 20 5 FFBDLO Cc1ncccc1OC[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000419407762 513799782 /nfs/dbraw/zinc/79/97/82/513799782.db2.gz ZBMOGENMMVHYST-OAHLLOKOSA-N 1 2 370.409 2.780 20 5 FFBDLO Cc1ncccc1OC[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000419407762 513799788 /nfs/dbraw/zinc/79/97/88/513799788.db2.gz ZBMOGENMMVHYST-OAHLLOKOSA-N 1 2 370.409 2.780 20 5 FFBDLO O=[N+]([O-])c1cnc(C(F)(F)F)cc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC000436277230 513815519 /nfs/dbraw/zinc/81/55/19/513815519.db2.gz XDJLGCHFUOQDNM-UHFFFAOYSA-N 1 2 369.303 2.984 20 5 FFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1ncnn1CC(F)F ZINC000426499941 513960316 /nfs/dbraw/zinc/96/03/16/513960316.db2.gz SAOOFUDRCKBZKB-WUXMJOGZSA-N 1 2 351.357 2.987 20 5 FFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1ncnn1CC(F)F ZINC000426499941 513960322 /nfs/dbraw/zinc/96/03/22/513960322.db2.gz SAOOFUDRCKBZKB-WUXMJOGZSA-N 1 2 351.357 2.987 20 5 FFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000451862105 514028618 /nfs/dbraw/zinc/02/86/18/514028618.db2.gz AYXYXNRWJIWVNN-KRWDZBQOSA-N 1 2 367.409 2.860 20 5 FFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000451862105 514028629 /nfs/dbraw/zinc/02/86/29/514028629.db2.gz AYXYXNRWJIWVNN-KRWDZBQOSA-N 1 2 367.409 2.860 20 5 FFBDLO C[NH+](C)CCCOc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000436962468 514053021 /nfs/dbraw/zinc/05/30/21/514053021.db2.gz FFDVAFCSQYODQL-UHFFFAOYSA-N 1 2 373.409 2.561 20 5 FFBDLO CCn1ccc(C[NH2+]Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])n1 ZINC000414477231 514142824 /nfs/dbraw/zinc/14/28/24/514142824.db2.gz CEPYPLQZKVMMCG-UHFFFAOYSA-N 1 2 370.356 2.754 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccccc1S(C)(=O)=O ZINC000414499595 514150269 /nfs/dbraw/zinc/15/02/69/514150269.db2.gz ANGCQSJEKGCFBY-UHFFFAOYSA-N 1 2 364.423 2.687 20 5 FFBDLO C[C@@H]1[C@H](C)N(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC[N@H+]1C ZINC000444282218 514179475 /nfs/dbraw/zinc/17/94/75/514179475.db2.gz AYYBEPWYDIUJTC-OLZOCXBDSA-N 1 2 367.424 2.985 20 5 FFBDLO C[C@@H]1[C@H](C)N(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC[N@@H+]1C ZINC000444282218 514179483 /nfs/dbraw/zinc/17/94/83/514179483.db2.gz AYYBEPWYDIUJTC-OLZOCXBDSA-N 1 2 367.424 2.985 20 5 FFBDLO CCOC1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCCC1 ZINC000452155413 514221624 /nfs/dbraw/zinc/22/16/24/514221624.db2.gz UUINOUYURXHIKE-UHFFFAOYSA-N 1 2 358.398 2.860 20 5 FFBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000449554739 514252020 /nfs/dbraw/zinc/25/20/20/514252020.db2.gz PQSIKKDHVFACKC-ZVVFDCPKSA-N 1 2 350.440 2.509 20 5 FFBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000449554739 514252027 /nfs/dbraw/zinc/25/20/27/514252027.db2.gz PQSIKKDHVFACKC-ZVVFDCPKSA-N 1 2 350.440 2.509 20 5 FFBDLO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000444645648 514283967 /nfs/dbraw/zinc/28/39/67/514283967.db2.gz PYJLXHUNSDHQJJ-UHFFFAOYSA-N 1 2 362.349 2.587 20 5 FFBDLO O=C(Nc1c[nH+]c2n1CCCC2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000452345619 514296402 /nfs/dbraw/zinc/29/64/02/514296402.db2.gz QQGXOXRDQPIMEB-UHFFFAOYSA-N 1 2 355.398 2.980 20 5 FFBDLO COC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]CCNc1ccccc1[N+](=O)[O-] ZINC000438308761 514352387 /nfs/dbraw/zinc/35/23/87/514352387.db2.gz WQKSNPUIFHLNEM-INIZCTEOSA-N 1 2 361.373 2.520 20 5 FFBDLO O=C(C[N@H+]1CC[C@H](O)CC12CCC2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420993038 514429197 /nfs/dbraw/zinc/42/91/97/514429197.db2.gz LQSQFXVEQORBKK-LBPRGKRZSA-N 1 2 353.806 2.566 20 5 FFBDLO O=C(C[N@@H+]1CC[C@H](O)CC12CCC2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420993038 514429204 /nfs/dbraw/zinc/42/92/04/514429204.db2.gz LQSQFXVEQORBKK-LBPRGKRZSA-N 1 2 353.806 2.566 20 5 FFBDLO CCO[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C12CCC2 ZINC000449938010 514431486 /nfs/dbraw/zinc/43/14/86/514431486.db2.gz DMFHSGRUIHWNHP-IAGOWNOFSA-N 1 2 370.409 2.858 20 5 FFBDLO CC1(C)[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@@H]2CCCO[C@@H]21 ZINC000449944839 514436452 /nfs/dbraw/zinc/43/64/52/514436452.db2.gz LASJEZPGDLBVOH-XKQJLSEDSA-N 1 2 370.409 2.714 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCOC2(CCCC2)C1 ZINC000450145916 514510525 /nfs/dbraw/zinc/51/05/25/514510525.db2.gz KCRKJHHISMMPIH-UHFFFAOYSA-N 1 2 356.382 2.566 20 5 FFBDLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452841426 514512668 /nfs/dbraw/zinc/51/26/68/514512668.db2.gz HDKGVEZKGOGEGX-CVEARBPZSA-N 1 2 354.410 2.760 20 5 FFBDLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452871114 514527791 /nfs/dbraw/zinc/52/77/91/514527791.db2.gz ZZTMGTOPEWCNHB-CVEARBPZSA-N 1 2 354.410 2.760 20 5 FFBDLO C[C@@H]1CCCN(c2ccc(C(=O)N3CCn4c[nH+]cc4C3)cc2[N+](=O)[O-])C1 ZINC000461197759 514536383 /nfs/dbraw/zinc/53/63/83/514536383.db2.gz PVUCYHDEHXFYNG-CQSZACIVSA-N 1 2 369.425 2.684 20 5 FFBDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000484841108 514811908 /nfs/dbraw/zinc/81/19/08/514811908.db2.gz ZOPLCAIUEZTSJJ-UHFFFAOYSA-N 1 2 374.740 2.555 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCSC[C@@H]1C1CC1 ZINC000456173879 515001390 /nfs/dbraw/zinc/00/13/90/515001390.db2.gz XSHJOEHESHRZFT-MRXNPFEDSA-N 1 2 358.423 2.748 20 5 FFBDLO COC(=O)C[C@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)c1ccccn1 ZINC000509129336 515036293 /nfs/dbraw/zinc/03/62/93/515036293.db2.gz YNALPBVZFYWDPW-SFHVURJKSA-N 1 2 359.382 2.567 20 5 FFBDLO CCN1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@@H]1c1[nH]cc[nH+]1 ZINC000480704270 515050650 /nfs/dbraw/zinc/05/06/50/515050650.db2.gz DJJRYDJLIDBNED-MRXNPFEDSA-N 1 2 352.398 2.749 20 5 FFBDLO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@@H]1c1ncc[nH]1 ZINC000480704270 515050660 /nfs/dbraw/zinc/05/06/60/515050660.db2.gz DJJRYDJLIDBNED-MRXNPFEDSA-N 1 2 352.398 2.749 20 5 FFBDLO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@@H]1c1ncc[nH]1 ZINC000480704270 515050670 /nfs/dbraw/zinc/05/06/70/515050670.db2.gz DJJRYDJLIDBNED-MRXNPFEDSA-N 1 2 352.398 2.749 20 5 FFBDLO O=C(c1cc(-n2cc[nH+]c2)ccn1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000489988212 515059526 /nfs/dbraw/zinc/05/95/26/515059526.db2.gz KVHRMHOXPIRGAA-UHFFFAOYSA-N 1 2 363.377 2.980 20 5 FFBDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCc3ncc([N+](=O)[O-])cc3C1)C2 ZINC000476595922 515122165 /nfs/dbraw/zinc/12/21/65/515122165.db2.gz DEDVFZLQUFLXTO-GFCCVEGCSA-N 1 2 369.425 2.526 20 5 FFBDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCc3ncc([N+](=O)[O-])cc3C1)CC2 ZINC000476595922 515122175 /nfs/dbraw/zinc/12/21/75/515122175.db2.gz DEDVFZLQUFLXTO-GFCCVEGCSA-N 1 2 369.425 2.526 20 5 FFBDLO C[C@@H](c1ccc(Cl)cc1)N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000472249127 515185039 /nfs/dbraw/zinc/18/50/39/515185039.db2.gz NRXVOPSRVGHNPI-AWEZNQCLSA-N 1 2 363.849 2.824 20 5 FFBDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000472249127 515185047 /nfs/dbraw/zinc/18/50/47/515185047.db2.gz NRXVOPSRVGHNPI-AWEZNQCLSA-N 1 2 363.849 2.824 20 5 FFBDLO CN(C)c1[nH]c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2[nH+]1 ZINC000468026739 515202044 /nfs/dbraw/zinc/20/20/44/515202044.db2.gz AJAIMDSRXVHGDJ-UHFFFAOYSA-N 1 2 355.354 2.555 20 5 FFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)N(CC[NH+]1CCOCC1)c1ccccc1 ZINC000499113581 515206485 /nfs/dbraw/zinc/20/64/85/515206485.db2.gz VTHXXQWSMBZYCX-UHFFFAOYSA-N 1 2 369.421 2.503 20 5 FFBDLO CO[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C12CCC2 ZINC000456591983 515272962 /nfs/dbraw/zinc/27/29/62/515272962.db2.gz QRVXTFKGDQZAKM-IAGOWNOFSA-N 1 2 370.409 2.810 20 5 FFBDLO CNc1c(C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)cccc1[N+](=O)[O-] ZINC000462998581 515328996 /nfs/dbraw/zinc/32/89/96/515328996.db2.gz WBBUEDDCGFOZIM-AWEZNQCLSA-N 1 2 369.425 2.551 20 5 FFBDLO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000481489051 515344347 /nfs/dbraw/zinc/34/43/47/515344347.db2.gz CLZJGVGYBRLIFJ-UHFFFAOYSA-N 1 2 366.381 2.780 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CCOCC2CCCC2)CC1 ZINC000459311637 515464248 /nfs/dbraw/zinc/46/42/48/515464248.db2.gz YBYOEYCLXSGPBU-UHFFFAOYSA-N 1 2 367.471 2.621 20 5 FFBDLO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000505440466 515535465 /nfs/dbraw/zinc/53/54/65/515535465.db2.gz QEJVKTSNNGEHDS-DAXSKMNVSA-N 1 2 367.405 2.772 20 5 FFBDLO CCc1cc(N2C[C@@H](C)S(=O)[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000477793230 515593085 /nfs/dbraw/zinc/59/30/85/515593085.db2.gz VBHNZNOSHBFXIE-CHWSQXEVSA-N 1 2 374.466 2.960 20 5 FFBDLO CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000510745313 515655601 /nfs/dbraw/zinc/65/56/01/515655601.db2.gz KGZAFWWWDJIUGS-QGZVFWFLSA-N 1 2 372.368 2.665 20 5 FFBDLO CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000510745313 515655607 /nfs/dbraw/zinc/65/56/07/515655607.db2.gz KGZAFWWWDJIUGS-QGZVFWFLSA-N 1 2 372.368 2.665 20 5 FFBDLO O=C(C[N@@H+]1CCOC2(C1)CCCCCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000478041751 515679432 /nfs/dbraw/zinc/67/94/32/515679432.db2.gz OCTCOUNYDAMOHJ-UHFFFAOYSA-N 1 2 373.453 2.909 20 5 FFBDLO O=C(C[N@H+]1CCOC2(C1)CCCCCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000478041751 515679439 /nfs/dbraw/zinc/67/94/39/515679439.db2.gz OCTCOUNYDAMOHJ-UHFFFAOYSA-N 1 2 373.453 2.909 20 5 FFBDLO CNc1nc(C(=O)NCCCn2c(C)[nH+]c3ccccc32)ccc1[N+](=O)[O-] ZINC000454715424 515686261 /nfs/dbraw/zinc/68/62/61/515686261.db2.gz NGIFZWLVLIBZTP-UHFFFAOYSA-N 1 2 368.397 2.510 20 5 FFBDLO Cc1cc(C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)ccc1-n1cncn1 ZINC000459623384 515702576 /nfs/dbraw/zinc/70/25/76/515702576.db2.gz RSCHVHMRNCPJMO-UHFFFAOYSA-N 1 2 365.393 2.747 20 5 FFBDLO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1cccc2[nH]ccc21 ZINC000494000110 515709916 /nfs/dbraw/zinc/70/99/16/515709916.db2.gz OJDCFAFYYURADQ-UHFFFAOYSA-N 1 2 373.434 2.982 20 5 FFBDLO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1cccc2[nH]ccc21 ZINC000494000110 515709924 /nfs/dbraw/zinc/70/99/24/515709924.db2.gz OJDCFAFYYURADQ-UHFFFAOYSA-N 1 2 373.434 2.982 20 5 FFBDLO O=C(C[N@@H+]1CC[C@@H](COc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000505885667 515711659 /nfs/dbraw/zinc/71/16/59/515711659.db2.gz UHBSOSYYJYFUFD-OAHLLOKOSA-N 1 2 355.394 2.934 20 5 FFBDLO O=C(C[N@H+]1CC[C@@H](COc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000505885667 515711667 /nfs/dbraw/zinc/71/16/67/515711667.db2.gz UHBSOSYYJYFUFD-OAHLLOKOSA-N 1 2 355.394 2.934 20 5 FFBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1cccc2nsnc21 ZINC000511075539 515769977 /nfs/dbraw/zinc/76/99/77/515769977.db2.gz ZTOVUVCNUZFXFM-UHFFFAOYSA-N 1 2 371.422 2.713 20 5 FFBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1cccc2nsnc21 ZINC000511075539 515769985 /nfs/dbraw/zinc/76/99/85/515769985.db2.gz ZTOVUVCNUZFXFM-UHFFFAOYSA-N 1 2 371.422 2.713 20 5 FFBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454845582 515785301 /nfs/dbraw/zinc/78/53/01/515785301.db2.gz YGQXDBKTSZOQOZ-CVEARBPZSA-N 1 2 369.425 2.695 20 5 FFBDLO COc1cc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)c([N+](=O)[O-])cc1OCC(F)F ZINC000459795367 515809797 /nfs/dbraw/zinc/80/97/97/515809797.db2.gz OGXIYLPVEFZFMF-QWRGUYRKSA-N 1 2 360.382 2.937 20 5 FFBDLO COc1cc(C[N@H+]2C[C@@H]3C[C@H]2CS3)c([N+](=O)[O-])cc1OCC(F)F ZINC000459795367 515809804 /nfs/dbraw/zinc/80/98/04/515809804.db2.gz OGXIYLPVEFZFMF-QWRGUYRKSA-N 1 2 360.382 2.937 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000494687120 515923843 /nfs/dbraw/zinc/92/38/43/515923843.db2.gz UAFVOHAWJDIPKD-UHFFFAOYSA-N 1 2 352.350 2.719 20 5 FFBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000464725356 515935572 /nfs/dbraw/zinc/93/55/72/515935572.db2.gz WVQVKHFVOFNTPB-IBGZPJMESA-N 1 2 369.421 2.997 20 5 FFBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000464725356 515935581 /nfs/dbraw/zinc/93/55/81/515935581.db2.gz WVQVKHFVOFNTPB-IBGZPJMESA-N 1 2 369.421 2.997 20 5 FFBDLO CC[N@H+](CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1ccccc1 ZINC000511838263 516048571 /nfs/dbraw/zinc/04/85/71/516048571.db2.gz MAGTZBVYKLJDHH-UHFFFAOYSA-N 1 2 360.389 2.963 20 5 FFBDLO CC[N@@H+](CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1ccccc1 ZINC000511838263 516048580 /nfs/dbraw/zinc/04/85/80/516048580.db2.gz MAGTZBVYKLJDHH-UHFFFAOYSA-N 1 2 360.389 2.963 20 5 FFBDLO Cc1cc(C)cc(OC[C@H](O)C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000470033308 516088208 /nfs/dbraw/zinc/08/82/08/516088208.db2.gz NFLCVQKQMUBREF-QGZVFWFLSA-N 1 2 372.421 2.715 20 5 FFBDLO O=C(Nc1cc[nH+]cc1O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000512016822 516118019 /nfs/dbraw/zinc/11/80/19/516118019.db2.gz GAEGTHZBXFBAOX-UHFFFAOYSA-N 1 2 364.361 2.982 20 5 FFBDLO Cc1cn2cc(NC(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)ccc2[nH+]1 ZINC000488292562 516186742 /nfs/dbraw/zinc/18/67/42/516186742.db2.gz DWWSOINBNBVMRZ-UHFFFAOYSA-N 1 2 369.385 2.616 20 5 FFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000512439112 516279533 /nfs/dbraw/zinc/27/95/33/516279533.db2.gz NTIMEZYYMDBPQC-CRAIPNDOSA-N 1 2 363.458 2.677 20 5 FFBDLO Cc1ccn2cc(CNc3cccc(S(C)(=O)=O)c3[N+](=O)[O-])[nH+]c2c1 ZINC000497558392 516326430 /nfs/dbraw/zinc/32/64/30/516326430.db2.gz PIJOTQFRURAYJW-UHFFFAOYSA-N 1 2 360.395 2.567 20 5 FFBDLO Cc1[nH+]c2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)ccc2n1C ZINC000531199113 516343896 /nfs/dbraw/zinc/34/38/96/516343896.db2.gz RPAVOBKVFPHILI-UHFFFAOYSA-N 1 2 360.395 2.899 20 5 FFBDLO O=C([O-])C1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC[NH+](Cc2ccccc2)CC1 ZINC000551055184 516543642 /nfs/dbraw/zinc/54/36/42/516543642.db2.gz IONRJSNDLRKOPK-UHFFFAOYSA-N 1 2 369.421 2.804 20 5 FFBDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1c(F)cncc1F ZINC000513277023 516552209 /nfs/dbraw/zinc/55/22/09/516552209.db2.gz UNWIWTAGQCJYHN-ZJUUUORDSA-N 1 2 350.325 2.946 20 5 FFBDLO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H](c2nnc[nH]2)c2ccc(F)cc2)cc1 ZINC000551084027 516555713 /nfs/dbraw/zinc/55/57/13/516555713.db2.gz QGDYDIDABUOYFT-MRXNPFEDSA-N 1 2 357.345 2.610 20 5 FFBDLO O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000561384612 516556379 /nfs/dbraw/zinc/55/63/79/516556379.db2.gz YKLOHBGYQLNVHX-UHFFFAOYSA-N 1 2 351.366 2.806 20 5 FFBDLO Cc1cc(N2CCN(Cc3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000518221952 516579428 /nfs/dbraw/zinc/57/94/28/516579428.db2.gz JWXSGFROZMQIOU-UHFFFAOYSA-N 1 2 369.347 2.967 20 5 FFBDLO O=C(C[N@@H+]1CCCN(c2ccccc2F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000513402841 516606920 /nfs/dbraw/zinc/60/69/20/516606920.db2.gz ZZTXLKWBBJFLSO-UHFFFAOYSA-N 1 2 372.400 2.885 20 5 FFBDLO O=C(C[N@H+]1CCCN(c2ccccc2F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000513402841 516606929 /nfs/dbraw/zinc/60/69/29/516606929.db2.gz ZZTXLKWBBJFLSO-UHFFFAOYSA-N 1 2 372.400 2.885 20 5 FFBDLO CC(C)(C)C1=CC[N@@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000536187461 516667756 /nfs/dbraw/zinc/66/77/56/516667756.db2.gz SZOIJADSGJBWHU-MRXNPFEDSA-N 1 2 357.410 2.905 20 5 FFBDLO CC(C)(C)C1=CC[N@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000536187461 516667764 /nfs/dbraw/zinc/66/77/64/516667764.db2.gz SZOIJADSGJBWHU-MRXNPFEDSA-N 1 2 357.410 2.905 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000536194380 516670925 /nfs/dbraw/zinc/67/09/25/516670925.db2.gz UFNKZMXGVJKWLW-UHFFFAOYSA-N 1 2 362.367 2.589 20 5 FFBDLO COc1cc2cc[nH+]cc2cc1OC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000561749936 516747484 /nfs/dbraw/zinc/74/74/84/516747484.db2.gz KFGFEONHGRAXCO-OAHLLOKOSA-N 1 2 370.361 2.970 20 5 FFBDLO COc1cc2cc[nH+]cc2cc1OC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000561749935 516748186 /nfs/dbraw/zinc/74/81/86/516748186.db2.gz KFGFEONHGRAXCO-HNNXBMFYSA-N 1 2 370.361 2.970 20 5 FFBDLO Cc1cccc(OC[C@H](O)C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000558484277 516771436 /nfs/dbraw/zinc/77/14/36/516771436.db2.gz WZYFQMPUYNXOMB-QGZVFWFLSA-N 1 2 358.394 2.538 20 5 FFBDLO Cc1cccc(OC[C@H](O)C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000558484277 516771441 /nfs/dbraw/zinc/77/14/41/516771441.db2.gz WZYFQMPUYNXOMB-QGZVFWFLSA-N 1 2 358.394 2.538 20 5 FFBDLO CCc1cc(N2CC(n3cc[nH+]c3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000532343620 516924231 /nfs/dbraw/zinc/92/42/31/516924231.db2.gz CNEBFDUPKPYUMU-UHFFFAOYSA-N 1 2 350.382 2.872 20 5 FFBDLO COc1cc2cc[nH+]cc2cc1OC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000562210652 516959658 /nfs/dbraw/zinc/95/96/58/516959658.db2.gz NITLUSXSNBPUOC-MRXNPFEDSA-N 1 2 370.361 2.970 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cc(-c4ccccc4)on3)CC2)cn1 ZINC000551986614 517009669 /nfs/dbraw/zinc/00/96/69/517009669.db2.gz RUGKWMBQBYVXGX-UHFFFAOYSA-N 1 2 365.393 2.967 20 5 FFBDLO O=[N+]([O-])c1ccc(Cc2noc(CCc3[nH]c4ccccc4[nH+]3)n2)nc1 ZINC000545070925 517039838 /nfs/dbraw/zinc/03/98/38/517039838.db2.gz FSQPPMPEYFYHJD-UHFFFAOYSA-N 1 2 350.338 2.625 20 5 FFBDLO O=C(NCC1CC[NH+](CC(F)F)CC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000552120825 517091282 /nfs/dbraw/zinc/09/12/82/517091282.db2.gz GEYLIKLULHHGPM-UHFFFAOYSA-N 1 2 366.368 2.783 20 5 FFBDLO Cn1c2ccccc2[nH+]c1CCCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000541577088 517121985 /nfs/dbraw/zinc/12/19/85/517121985.db2.gz FQKJAOIPXWVWQY-UHFFFAOYSA-N 1 2 362.393 2.891 20 5 FFBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1C ZINC000520180010 517289470 /nfs/dbraw/zinc/28/94/70/517289470.db2.gz HBBQKIWPJRBMEZ-UHFFFAOYSA-N 1 2 373.365 2.616 20 5 FFBDLO Cc1cc(NCc2ccccc2CO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000520312938 517342143 /nfs/dbraw/zinc/34/21/43/517342143.db2.gz PNSZOUDVKJGUAT-UHFFFAOYSA-N 1 2 350.378 2.887 20 5 FFBDLO COc1ccc(NC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000542030136 517347212 /nfs/dbraw/zinc/34/72/12/517347212.db2.gz MJZNCIGSJUJYMH-UHFFFAOYSA-N 1 2 359.386 2.500 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCN(c3c[nH+]ccc3C)CC2)c1 ZINC000549274963 517488992 /nfs/dbraw/zinc/48/89/92/517488992.db2.gz XCHFOVZUOIYCAQ-UHFFFAOYSA-N 1 2 370.409 2.659 20 5 FFBDLO Cc1nn(C)c(N2CC[NH+](Cc3ccc(Cl)cc3C)CC2)c1[N+](=O)[O-] ZINC000553605138 517807350 /nfs/dbraw/zinc/80/73/50/517807350.db2.gz PXZYILXMXQJBMK-UHFFFAOYSA-N 1 2 363.849 2.921 20 5 FFBDLO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000550077733 517849728 /nfs/dbraw/zinc/84/97/28/517849728.db2.gz DAROEIXNQKFDOL-LBPRGKRZSA-N 1 2 364.423 2.945 20 5 FFBDLO CCOc1ccccc1C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000550112286 517867388 /nfs/dbraw/zinc/86/73/88/517867388.db2.gz DOKACFUXTOSVCC-UHFFFAOYSA-N 1 2 369.421 2.952 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000553928957 517976387 /nfs/dbraw/zinc/97/63/87/517976387.db2.gz YJOCPBIZRMZHTJ-INIZCTEOSA-N 1 2 355.398 2.547 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@@H](CCO)c3ccccc3)n2)cc1 ZINC000557468414 518019647 /nfs/dbraw/zinc/01/96/47/518019647.db2.gz DTHKOIWXXRRXEA-INIZCTEOSA-N 1 2 354.366 2.858 20 5 FFBDLO CCc1cc(NC[C@@](C)(O)C(F)(F)F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000534828692 518048659 /nfs/dbraw/zinc/04/86/59/518048659.db2.gz IOTORYIQGDRJSM-OAHLLOKOSA-N 1 2 370.331 2.761 20 5 FFBDLO CC[N@@H+]1C[C@H](C)N(c2ncc([N+](=O)[O-])c(C)c2Br)C[C@H]1C ZINC000543435044 518088179 /nfs/dbraw/zinc/08/81/79/518088179.db2.gz BUZFXGKMZPJDNC-ZJUUUORDSA-N 1 2 357.252 2.980 20 5 FFBDLO CC[N@H+]1C[C@H](C)N(c2ncc([N+](=O)[O-])c(C)c2Br)C[C@H]1C ZINC000543435044 518088186 /nfs/dbraw/zinc/08/81/86/518088186.db2.gz BUZFXGKMZPJDNC-ZJUUUORDSA-N 1 2 357.252 2.980 20 5 FFBDLO Nc1c(C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)cc(F)cc1[N+](=O)[O-] ZINC000539779879 518159094 /nfs/dbraw/zinc/15/90/94/518159094.db2.gz JNBNBZXMFITTGB-UHFFFAOYSA-N 1 2 355.329 2.636 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000575998565 518380275 /nfs/dbraw/zinc/38/02/75/518380275.db2.gz HMOOBROQLKMFMQ-QGZVFWFLSA-N 1 2 369.425 2.810 20 5 FFBDLO Cc1cccc(C)c1OC[C@@H](O)C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000581913749 518498753 /nfs/dbraw/zinc/49/87/53/518498753.db2.gz YOIJESQGDKCOCW-SFHVURJKSA-N 1 2 372.421 2.846 20 5 FFBDLO Cc1cccc(C)c1OC[C@@H](O)C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000581913749 518498757 /nfs/dbraw/zinc/49/87/57/518498757.db2.gz YOIJESQGDKCOCW-SFHVURJKSA-N 1 2 372.421 2.846 20 5 FFBDLO Cc1cc(S(=O)(=O)NCc2cccc(-n3cc[nH+]c3)c2)ccc1[N+](=O)[O-] ZINC000567538208 518573857 /nfs/dbraw/zinc/57/38/57/518573857.db2.gz NUCONFOFCWVTSP-UHFFFAOYSA-N 1 2 372.406 2.567 20 5 FFBDLO CCOc1cc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000585800879 518607845 /nfs/dbraw/zinc/60/78/45/518607845.db2.gz QPHRPIOEUYXYSX-JQHSSLGASA-N 1 2 364.442 2.745 20 5 FFBDLO CCOc1cc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000585800879 518607851 /nfs/dbraw/zinc/60/78/51/518607851.db2.gz QPHRPIOEUYXYSX-JQHSSLGASA-N 1 2 364.442 2.745 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000579650322 518781130 /nfs/dbraw/zinc/78/11/30/518781130.db2.gz COWCKBGXPWSGJC-CRAIPNDOSA-N 1 2 359.426 2.875 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000579650322 518781137 /nfs/dbraw/zinc/78/11/37/518781137.db2.gz COWCKBGXPWSGJC-CRAIPNDOSA-N 1 2 359.426 2.875 20 5 FFBDLO COc1c(C)[nH+]c(C2CC2)nc1N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000565229883 518852679 /nfs/dbraw/zinc/85/26/79/518852679.db2.gz UKEWTTYXIFYTKW-ZDUSSCGKSA-N 1 2 370.413 2.665 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(c3ccc(C)[nH+]c3)CC2)n1 ZINC000573871339 518875106 /nfs/dbraw/zinc/87/51/06/518875106.db2.gz XKUJKGZPWXNIKD-UHFFFAOYSA-N 1 2 356.382 2.864 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000589300968 518975747 /nfs/dbraw/zinc/97/57/47/518975747.db2.gz XASBMTTWPFHSJW-XOKHGSTOSA-N 1 2 359.426 2.955 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000589300968 518975751 /nfs/dbraw/zinc/97/57/51/518975751.db2.gz XASBMTTWPFHSJW-XOKHGSTOSA-N 1 2 359.426 2.955 20 5 FFBDLO O=C(Cc1c[nH+]cn1Cc1ccccc1)NCc1cccc([N+](=O)[O-])c1 ZINC000589343967 518985541 /nfs/dbraw/zinc/98/55/41/518985541.db2.gz CSELQCRLMVEFMI-UHFFFAOYSA-N 1 2 350.378 2.699 20 5 FFBDLO CC(C)Cn1cc[nH+]c1CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000577289360 519007861 /nfs/dbraw/zinc/00/78/61/519007861.db2.gz UOUVILRBPXCIGT-UHFFFAOYSA-N 1 2 359.430 2.831 20 5 FFBDLO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCC[NH+]1Cc2ccccc2C1 ZINC000589833162 519086764 /nfs/dbraw/zinc/08/67/64/519086764.db2.gz FJVZAHCEIIPHLZ-UHFFFAOYSA-N 1 2 361.348 2.548 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@@H](CO)c3ccc(F)cc3)o2)cc1 ZINC000568682716 519162014 /nfs/dbraw/zinc/16/20/14/519162014.db2.gz ITYHNOVOOAIGMK-HNNXBMFYSA-N 1 2 358.329 2.607 20 5 FFBDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@@H+]2Cc2c(Cl)cccc2[N+](=O)[O-])O1 ZINC000580468513 519192351 /nfs/dbraw/zinc/19/23/51/519192351.db2.gz OOYBMYQSTKQENQ-YVFQKMDQSA-N 1 2 368.817 2.932 20 5 FFBDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@H+]2Cc2c(Cl)cccc2[N+](=O)[O-])O1 ZINC000580468513 519192355 /nfs/dbraw/zinc/19/23/55/519192355.db2.gz OOYBMYQSTKQENQ-YVFQKMDQSA-N 1 2 368.817 2.932 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000571690772 519223213 /nfs/dbraw/zinc/22/32/13/519223213.db2.gz LXGCTGOENGEFFE-ZDUSSCGKSA-N 1 2 363.805 2.639 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000571690772 519223216 /nfs/dbraw/zinc/22/32/16/519223216.db2.gz LXGCTGOENGEFFE-ZDUSSCGKSA-N 1 2 363.805 2.639 20 5 FFBDLO O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590629368 519294438 /nfs/dbraw/zinc/29/44/38/519294438.db2.gz SYVVSPMTHNKJOV-HNNXBMFYSA-N 1 2 366.381 2.659 20 5 FFBDLO Cc1ccc[nH+]c1CCCNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000590715730 519329743 /nfs/dbraw/zinc/32/97/43/519329743.db2.gz LLHXTWVNVDARKH-UHFFFAOYSA-N 1 2 355.398 2.533 20 5 FFBDLO COc1ccc(NC(=O)NCc2cn3cc(C)ccc3[nH+]2)cc1[N+](=O)[O-] ZINC000566339040 519440345 /nfs/dbraw/zinc/44/03/45/519440345.db2.gz HYRXXQSRXWSBRY-UHFFFAOYSA-N 1 2 355.354 2.881 20 5 FFBDLO CC(C)(NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1[nH]cc[nH+]1 ZINC000566364344 519453340 /nfs/dbraw/zinc/45/33/40/519453340.db2.gz NHJKOOULWNSRHP-UHFFFAOYSA-N 1 2 367.203 2.674 20 5 FFBDLO CCn1nc(C)c(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1C ZINC000602925979 519976057 /nfs/dbraw/zinc/97/60/57/519976057.db2.gz MMHQFPRGHLYFSF-AWEZNQCLSA-N 1 2 359.430 2.887 20 5 FFBDLO CCn1nc(C)c(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1C ZINC000602925979 519976064 /nfs/dbraw/zinc/97/60/64/519976064.db2.gz MMHQFPRGHLYFSF-AWEZNQCLSA-N 1 2 359.430 2.887 20 5 FFBDLO Cc1cccc(CC2C[NH+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000612677924 520086495 /nfs/dbraw/zinc/08/64/95/520086495.db2.gz JBCIHWFEMKZPFB-UHFFFAOYSA-N 1 2 374.462 2.851 20 5 FFBDLO CC[C@H](C)C[C@@H](CO)Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000591983674 520120524 /nfs/dbraw/zinc/12/05/24/520120524.db2.gz WQBLGHIWNDPBIN-HOCLYGCPSA-N 1 2 351.447 2.636 20 5 FFBDLO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609130876 520199344 /nfs/dbraw/zinc/19/93/44/520199344.db2.gz AMMSHCGKKYTBFO-OAHLLOKOSA-N 1 2 355.398 2.843 20 5 FFBDLO COC[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(OC)c1 ZINC000594968743 520233971 /nfs/dbraw/zinc/23/39/71/520233971.db2.gz JRDKNGNSDSCFIL-SFHVURJKSA-N 1 2 374.393 2.947 20 5 FFBDLO Cc1cc(C)c(S(=O)(=O)Nc2ccnn2-c2cc[nH+]cc2)cc1[N+](=O)[O-] ZINC000617230562 520388279 /nfs/dbraw/zinc/38/82/79/520388279.db2.gz CLNQTWFXROWPEV-UHFFFAOYSA-N 1 2 373.394 2.593 20 5 FFBDLO O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000609786310 520431490 /nfs/dbraw/zinc/43/14/90/520431490.db2.gz CEONGWASUUIVMR-UHFFFAOYSA-N 1 2 352.350 2.589 20 5 FFBDLO Cc1noc(C[N@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)c1[N+](=O)[O-] ZINC000595409882 520451361 /nfs/dbraw/zinc/45/13/61/520451361.db2.gz PUJBIEQIHVBBKZ-UHFFFAOYSA-N 1 2 357.366 2.952 20 5 FFBDLO Cc1noc(C[N@@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)c1[N+](=O)[O-] ZINC000595409882 520451366 /nfs/dbraw/zinc/45/13/66/520451366.db2.gz PUJBIEQIHVBBKZ-UHFFFAOYSA-N 1 2 357.366 2.952 20 5 FFBDLO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000598195818 520487650 /nfs/dbraw/zinc/48/76/50/520487650.db2.gz TZVUBEBSPIMWHD-QGZVFWFLSA-N 1 2 369.421 2.689 20 5 FFBDLO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000598195818 520487655 /nfs/dbraw/zinc/48/76/55/520487655.db2.gz TZVUBEBSPIMWHD-QGZVFWFLSA-N 1 2 369.421 2.689 20 5 FFBDLO COc1cccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c1Cl ZINC000595524260 520528624 /nfs/dbraw/zinc/52/86/24/520528624.db2.gz RQNSXTJBFYWXKC-UHFFFAOYSA-N 1 2 362.817 2.974 20 5 FFBDLO Cc1noc(C[NH+]2CCC(Cc3nc([C@@H]4C[C@H]4C)no3)CC2)c1[N+](=O)[O-] ZINC000595557444 520551800 /nfs/dbraw/zinc/55/18/00/520551800.db2.gz IRTYGWUSENATAJ-ZWNOBZJWSA-N 1 2 361.402 2.852 20 5 FFBDLO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595673075 520636852 /nfs/dbraw/zinc/63/68/52/520636852.db2.gz JXDNRDPJEJZOLE-NHYWBVRUSA-N 1 2 355.822 2.670 20 5 FFBDLO C[C@@H](CO)[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595673075 520636854 /nfs/dbraw/zinc/63/68/54/520636854.db2.gz JXDNRDPJEJZOLE-NHYWBVRUSA-N 1 2 355.822 2.670 20 5 FFBDLO COC[C@H]([NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000595684260 520648369 /nfs/dbraw/zinc/64/83/69/520648369.db2.gz MWPXRPAMTMYTQX-KRWDZBQOSA-N 1 2 374.393 2.867 20 5 FFBDLO CCn1c(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)nc2ccccc21 ZINC000601149861 520661863 /nfs/dbraw/zinc/66/18/63/520661863.db2.gz QWVGGJQKFIKMFH-LJQANCHMSA-N 1 2 354.410 2.962 20 5 FFBDLO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[NH+](Cc2ccsc2)CC1 ZINC000593021592 520689820 /nfs/dbraw/zinc/68/98/20/520689820.db2.gz UXABDGAUDBQWAX-UHFFFAOYSA-N 1 2 363.414 2.682 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC([C@H](C)CO)CC1 ZINC000593085324 520732779 /nfs/dbraw/zinc/73/27/79/520732779.db2.gz USOZCKFWXHYMFX-VXGBXAGGSA-N 1 2 369.849 2.916 20 5 FFBDLO CC[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000595800966 520735632 /nfs/dbraw/zinc/73/56/32/520735632.db2.gz PBHIUGLDLFRACZ-ZDUSSCGKSA-N 1 2 372.429 2.592 20 5 FFBDLO Cc1ccc(S(=O)(=O)NCc2[nH+]ccn2CC(C)C)c(C)c1[N+](=O)[O-] ZINC000598606792 520738472 /nfs/dbraw/zinc/73/84/72/520738472.db2.gz JYIANFJWWDZVAL-UHFFFAOYSA-N 1 2 366.443 2.543 20 5 FFBDLO CCc1cc(NC(=O)C[C@H](C)n2cc[nH+]c2)c2cc([N+](=O)[O-])ccc2n1 ZINC000593116100 520756032 /nfs/dbraw/zinc/75/60/32/520756032.db2.gz ILAYJXUXHMCGEE-LBPRGKRZSA-N 1 2 353.382 2.914 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000598647116 520760431 /nfs/dbraw/zinc/76/04/31/520760431.db2.gz BTVWEJFRVPMZLO-IJLUTSLNSA-N 1 2 355.822 2.526 20 5 FFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000598647116 520760434 /nfs/dbraw/zinc/76/04/34/520760434.db2.gz BTVWEJFRVPMZLO-IJLUTSLNSA-N 1 2 355.822 2.526 20 5 FFBDLO C[C@H](NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)c1[nH+]ccn1C ZINC000595844218 520760947 /nfs/dbraw/zinc/76/09/47/520760947.db2.gz CHYQJGVFFWVEGW-DZGCQCFKSA-N 1 2 357.414 2.979 20 5 FFBDLO CC[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H](CC)CN1C(C)=O ZINC000610605495 520762676 /nfs/dbraw/zinc/76/26/76/520762676.db2.gz UIJYUAQTVQKAKV-ZIAGYGMSSA-N 1 2 360.414 2.957 20 5 FFBDLO CC[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H](CC)CN1C(C)=O ZINC000610605495 520762684 /nfs/dbraw/zinc/76/26/84/520762684.db2.gz UIJYUAQTVQKAKV-ZIAGYGMSSA-N 1 2 360.414 2.957 20 5 FFBDLO CC(C)(C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1c[nH+]c[nH]1 ZINC000598689352 520789566 /nfs/dbraw/zinc/78/95/66/520789566.db2.gz KTZCLAAOIMBTAY-UHFFFAOYSA-N 1 2 358.398 2.666 20 5 FFBDLO Cc1cc(N2CCN(Cc3cn4ccccc4[nH+]3)CC2)c([N+](=O)[O-])s1 ZINC000596059855 520886844 /nfs/dbraw/zinc/88/68/44/520886844.db2.gz BTKSZGIFTDAWRQ-UHFFFAOYSA-N 1 2 357.439 2.935 20 5 FFBDLO C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C2(CCC2)CO1 ZINC000593316928 520905622 /nfs/dbraw/zinc/90/56/22/520905622.db2.gz MOEYMSLPTADTFR-CYBMUJFWSA-N 1 2 356.382 2.564 20 5 FFBDLO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C2(CCC2)CO1 ZINC000593318724 520907050 /nfs/dbraw/zinc/90/70/50/520907050.db2.gz GCVFARJPHCMFMP-ZDUSSCGKSA-N 1 2 356.382 2.564 20 5 FFBDLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000598950272 520938116 /nfs/dbraw/zinc/93/81/16/520938116.db2.gz PUDZXIAQIQSXQW-SNVBAGLBSA-N 1 2 354.288 2.555 20 5 FFBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2cc([N+](=O)[O-])cn2C)c(C)c1 ZINC000611001805 520942328 /nfs/dbraw/zinc/94/23/28/520942328.db2.gz KXYSQTBDVZRBDD-KRWDZBQOSA-N 1 2 367.409 2.918 20 5 FFBDLO CCOC1CC(CNc2cc(C)sc2[N+](=O)[O-])([NH+]2CCOCC2)C1 ZINC000596212786 520974672 /nfs/dbraw/zinc/97/46/72/520974672.db2.gz NBMFDRADOIDVGL-UHFFFAOYSA-N 1 2 355.460 2.647 20 5 FFBDLO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)c3cccc(O)c3[N+](=O)[O-])C2)c1 ZINC000601850562 520986107 /nfs/dbraw/zinc/98/61/07/520986107.db2.gz POJOAFDPXBODIV-HNNXBMFYSA-N 1 2 355.394 2.613 20 5 FFBDLO Cc1cccc(C[N@H+]2CC[C@H](NC(=O)c3cccc(O)c3[N+](=O)[O-])C2)c1 ZINC000601850562 520986113 /nfs/dbraw/zinc/98/61/13/520986113.db2.gz POJOAFDPXBODIV-HNNXBMFYSA-N 1 2 355.394 2.613 20 5 FFBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000599126498 521043786 /nfs/dbraw/zinc/04/37/86/521043786.db2.gz IHYHCPZRBGOMNN-HNNXBMFYSA-N 1 2 367.471 2.817 20 5 FFBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000599126498 521043795 /nfs/dbraw/zinc/04/37/95/521043795.db2.gz IHYHCPZRBGOMNN-HNNXBMFYSA-N 1 2 367.471 2.817 20 5 FFBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCO[C@@H](C(F)F)CC2)cccc1[N+](=O)[O-] ZINC000601977120 521052412 /nfs/dbraw/zinc/05/24/12/521052412.db2.gz RLKDCRSUJRWGKM-BXUZGUMPSA-N 1 2 357.357 2.586 20 5 FFBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCO[C@@H](C(F)F)CC2)cccc1[N+](=O)[O-] ZINC000601977120 521052419 /nfs/dbraw/zinc/05/24/19/521052419.db2.gz RLKDCRSUJRWGKM-BXUZGUMPSA-N 1 2 357.357 2.586 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596597577 521155210 /nfs/dbraw/zinc/15/52/10/521155210.db2.gz CHQSODTXOHBZSS-ZDUSSCGKSA-N 1 2 371.441 2.740 20 5 FFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596597577 521155215 /nfs/dbraw/zinc/15/52/15/521155215.db2.gz CHQSODTXOHBZSS-ZDUSSCGKSA-N 1 2 371.441 2.740 20 5 FFBDLO Cc1noc(C[N@@H+]2CCC[C@@]3(CC(=O)c4ccccc4O3)C2)c1[N+](=O)[O-] ZINC000599576832 521308928 /nfs/dbraw/zinc/30/89/28/521308928.db2.gz VERPEIANDFRGCD-GOSISDBHSA-N 1 2 357.366 2.891 20 5 FFBDLO Cc1noc(C[N@H+]2CCC[C@@]3(CC(=O)c4ccccc4O3)C2)c1[N+](=O)[O-] ZINC000599576832 521308935 /nfs/dbraw/zinc/30/89/35/521308935.db2.gz VERPEIANDFRGCD-GOSISDBHSA-N 1 2 357.366 2.891 20 5 FFBDLO O=C(N[C@H](C1CC1)[C@H]1CCCCO1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000594071105 521389243 /nfs/dbraw/zinc/38/92/43/521389243.db2.gz XIRAKVNLMJUZMV-QZTJIDSGSA-N 1 2 370.409 2.858 20 5 FFBDLO COC(=O)C1C[C@H](C)[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H](C)C1 ZINC000599705052 521416446 /nfs/dbraw/zinc/41/64/46/521416446.db2.gz GOZMYXBCJMGLNS-RYUDHWBXSA-N 1 2 374.397 2.807 20 5 FFBDLO CC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000594172291 521447885 /nfs/dbraw/zinc/44/78/85/521447885.db2.gz IJDLDHCGIDMMPF-RHSMWYFYSA-N 1 2 358.398 2.858 20 5 FFBDLO COC(=O)[C@@H]1C[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C[C@H]1C ZINC000602702282 521486152 /nfs/dbraw/zinc/48/61/52/521486152.db2.gz QPORSGUSMVEXGG-VXNVDRBHSA-N 1 2 363.233 2.660 20 5 FFBDLO COC(=O)[C@@H]1C[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C[C@H]1C ZINC000602702282 521486161 /nfs/dbraw/zinc/48/61/61/521486161.db2.gz QPORSGUSMVEXGG-VXNVDRBHSA-N 1 2 363.233 2.660 20 5 FFBDLO Cc1cc(N2C[C@H](O)CC(F)(F)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000615731774 521516313 /nfs/dbraw/zinc/51/63/13/521516313.db2.gz NEUIPARAEMRBMV-CYBMUJFWSA-N 1 2 350.325 2.567 20 5 FFBDLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000615765585 521523521 /nfs/dbraw/zinc/52/35/21/521523521.db2.gz ROOKLVDKLAJDQR-SUMWQHHRSA-N 1 2 358.423 2.628 20 5 FFBDLO CN(C)c1cc[nH+]c(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c1 ZINC000612346117 521584979 /nfs/dbraw/zinc/58/49/79/521584979.db2.gz HDKVEQJYTVZYSC-UHFFFAOYSA-N 1 2 352.297 2.910 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCC(c2cc[nH]n2)CC1 ZINC000615996120 521597648 /nfs/dbraw/zinc/59/76/48/521597648.db2.gz BCVZMOOZSJFRAO-UHFFFAOYSA-N 1 2 371.441 2.534 20 5 FFBDLO COC(=O)COc1ccc(C[N@@H+]2CCOc3ccccc3C2)cc1[N+](=O)[O-] ZINC000616132063 521627912 /nfs/dbraw/zinc/62/79/12/521627912.db2.gz HPIRIPIJQUUCKH-UHFFFAOYSA-N 1 2 372.377 2.541 20 5 FFBDLO COC(=O)COc1ccc(C[N@H+]2CCOc3ccccc3C2)cc1[N+](=O)[O-] ZINC000616132063 521627913 /nfs/dbraw/zinc/62/79/13/521627913.db2.gz HPIRIPIJQUUCKH-UHFFFAOYSA-N 1 2 372.377 2.541 20 5 FFBDLO CN(C)C(=O)c1cccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000108714639 536103558 /nfs/dbraw/zinc/10/35/58/536103558.db2.gz OOQURBYCFDBRBH-UHFFFAOYSA-N 1 2 368.437 2.619 20 5 FFBDLO O=[N+]([O-])c1ccc(Nc2ccn(CC[NH+]3CCOCC3)n2)c(Cl)c1 ZINC000609431768 554376223 /nfs/dbraw/zinc/37/62/23/554376223.db2.gz NKBAFJFFGXMUPK-UHFFFAOYSA-N 1 2 351.794 2.521 20 5 FFBDLO CC(C)(C)c1nc(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000612452892 554784026 /nfs/dbraw/zinc/78/40/26/554784026.db2.gz GCPMIMQXZRAAIN-UHFFFAOYSA-N 1 2 364.427 2.568 20 5 FFBDLO C[C@H](O)CNc1[nH+]c2ccccc2n1CCOc1ccccc1[N+](=O)[O-] ZINC000541125878 562603804 /nfs/dbraw/zinc/60/38/04/562603804.db2.gz LVHZMOJKWOCYCB-ZDUSSCGKSA-N 1 2 356.382 2.816 20 5 FFBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821609777 606315856 /nfs/dbraw/zinc/31/58/56/606315856.db2.gz LKTZKOPAHMKBSN-UHFFFAOYSA-N 1 2 365.353 2.548 20 5 FFBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821609777 606315857 /nfs/dbraw/zinc/31/58/57/606315857.db2.gz LKTZKOPAHMKBSN-UHFFFAOYSA-N 1 2 365.353 2.548 20 5 FFBDLO CC1(C)C[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CCS1 ZINC000154781670 728811968 /nfs/dbraw/zinc/81/19/68/728811968.db2.gz PFGVSAJWSHNWPY-UHFFFAOYSA-N 1 2 350.444 2.622 20 5 FFBDLO CC1(C)C[N@@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CCS1 ZINC000154781670 728811974 /nfs/dbraw/zinc/81/19/74/728811974.db2.gz PFGVSAJWSHNWPY-UHFFFAOYSA-N 1 2 350.444 2.622 20 5 FFBDLO Cc1cc(N2CC[NH+](CCc3cnccn3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000866121440 731032247 /nfs/dbraw/zinc/03/22/47/731032247.db2.gz RIYWUWNSOAGGFX-UHFFFAOYSA-N 1 2 361.833 2.711 20 5 FFBDLO C[N@H+](CC(F)F)C1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000782149046 738692794 /nfs/dbraw/zinc/69/27/94/738692794.db2.gz ODZAXTNBMSYWJK-UHFFFAOYSA-N 1 2 351.357 2.704 20 5 FFBDLO C[N@@H+](CC(F)F)C1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000782149046 738692796 /nfs/dbraw/zinc/69/27/96/738692796.db2.gz ODZAXTNBMSYWJK-UHFFFAOYSA-N 1 2 351.357 2.704 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@@H](CCO)c3cccs3)o2)cc1 ZINC000754384798 736154417 /nfs/dbraw/zinc/15/44/17/736154417.db2.gz HPQWYCWNQSJDGW-ZDUSSCGKSA-N 1 2 360.395 2.920 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@@H](CCO)c3cccs3)n2)cc1 ZINC000754391856 736155663 /nfs/dbraw/zinc/15/56/63/736155663.db2.gz YJYNCFPMPIBOJG-ZDUSSCGKSA-N 1 2 360.395 2.920 20 5 FFBDLO Cc1ccc([C@H]([NH2+]CC[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000905133026 736300958 /nfs/dbraw/zinc/30/09/58/736300958.db2.gz CZRNVDUBNWKODP-GOSISDBHSA-N 1 2 362.451 2.663 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cn[nH]c3)CC2)c(C(F)(F)F)c1 ZINC000769317590 737517057 /nfs/dbraw/zinc/51/70/57/737517057.db2.gz SXBCEMGBQCHLJR-UHFFFAOYSA-N 1 2 355.320 2.659 20 5 FFBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000929220580 738956876 /nfs/dbraw/zinc/95/68/76/738956876.db2.gz WQNFCAWVZDADET-UHFFFAOYSA-N 1 2 358.423 2.674 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCn2c(cnc2C(F)(F)F)C1 ZINC000932580441 739471160 /nfs/dbraw/zinc/47/11/60/739471160.db2.gz RAJOHBUWTBWUMA-UHFFFAOYSA-N 1 2 356.304 2.835 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCn2c(cnc2C(F)(F)F)C1 ZINC000932580441 739471162 /nfs/dbraw/zinc/47/11/62/739471162.db2.gz RAJOHBUWTBWUMA-UHFFFAOYSA-N 1 2 356.304 2.835 20 5 FFBDLO O=C(O[C@H]1CC[N@H+](CCF)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000802238895 740688206 /nfs/dbraw/zinc/68/82/06/740688206.db2.gz QRFSWCSVCNQDJY-LBPRGKRZSA-N 1 2 350.268 2.814 20 5 FFBDLO O=C(O[C@H]1CC[N@@H+](CCF)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000802238895 740688210 /nfs/dbraw/zinc/68/82/10/740688210.db2.gz QRFSWCSVCNQDJY-LBPRGKRZSA-N 1 2 350.268 2.814 20 5 FFBDLO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000808189463 741196607 /nfs/dbraw/zinc/19/66/07/741196607.db2.gz ROOAGQJDFXVRSG-CYBMUJFWSA-N 1 2 353.423 2.518 20 5 FFBDLO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000808189463 741196608 /nfs/dbraw/zinc/19/66/08/741196608.db2.gz ROOAGQJDFXVRSG-CYBMUJFWSA-N 1 2 353.423 2.518 20 5 FFBDLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000811134868 741485970 /nfs/dbraw/zinc/48/59/70/741485970.db2.gz DNOLYORSOBFBPL-GFCCVEGCSA-N 1 2 363.197 2.666 20 5 FFBDLO CC[N@H+]1CCO[C@@H](C(=O)OCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000811134868 741485973 /nfs/dbraw/zinc/48/59/73/741485973.db2.gz DNOLYORSOBFBPL-GFCCVEGCSA-N 1 2 363.197 2.666 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000817278527 742116442 /nfs/dbraw/zinc/11/64/42/742116442.db2.gz XEJZSRZAYBZXNP-IJLUTSLNSA-N 1 2 355.822 2.526 20 5 FFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000817278527 742116446 /nfs/dbraw/zinc/11/64/46/742116446.db2.gz XEJZSRZAYBZXNP-IJLUTSLNSA-N 1 2 355.822 2.526 20 5 FFBDLO COC(=O)c1cnc([C@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000818355857 742266621 /nfs/dbraw/zinc/26/66/21/742266621.db2.gz KERGZBBXRDDZIY-BDAKNGLRSA-N 1 2 350.400 2.832 20 5 FFBDLO CO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C ZINC000831527987 745542695 /nfs/dbraw/zinc/54/26/95/745542695.db2.gz JVKGIQMLCZHQLY-JRPNMDOOSA-N 1 2 355.822 2.932 20 5 FFBDLO CO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C ZINC000831527987 745542700 /nfs/dbraw/zinc/54/27/00/745542700.db2.gz JVKGIQMLCZHQLY-JRPNMDOOSA-N 1 2 355.822 2.932 20 5 FFBDLO C[C@@H](c1nc(N)nc(Cl)n1)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831538557 745544320 /nfs/dbraw/zinc/54/43/20/745544320.db2.gz DUXPYMNIWHLMPE-JQWIXIFHSA-N 1 2 362.821 2.956 20 5 FFBDLO C[C@@H](c1nc(N)nc(Cl)n1)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831538557 745544322 /nfs/dbraw/zinc/54/43/22/745544322.db2.gz DUXPYMNIWHLMPE-JQWIXIFHSA-N 1 2 362.821 2.956 20 5 FFBDLO CC(=O)OC1CC[NH+](Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000839528405 746847370 /nfs/dbraw/zinc/84/73/70/746847370.db2.gz PHBVKPURKKJWSE-UHFFFAOYSA-N 1 2 357.204 2.885 20 5 FFBDLO O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000853575466 750101986 /nfs/dbraw/zinc/10/19/86/750101986.db2.gz GHHLVCATKBRNFP-NXEZZACHSA-N 1 2 366.215 2.612 20 5 FFBDLO O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000853575466 750101993 /nfs/dbraw/zinc/10/19/93/750101993.db2.gz GHHLVCATKBRNFP-NXEZZACHSA-N 1 2 366.215 2.612 20 5 FFBDLO C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872059259 1013138399 /nfs/dbraw/zinc/13/83/99/1013138399.db2.gz CFHBLTCUEOZQGU-XJKSGUPXSA-N 1 2 372.400 2.971 20 5 FFBDLO COc1ncc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)cc1[N+](=O)[O-] ZINC001210137490 960768511 /nfs/dbraw/zinc/76/85/11/960768511.db2.gz YHIXWEDLYXKBFD-TXEJJXNPSA-N 1 2 359.386 2.751 20 5 FFBDLO COc1cc(NC(=O)C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)cc(OC)c1 ZINC000126087827 963355080 /nfs/dbraw/zinc/35/50/80/963355080.db2.gz JHYNWUSDNDIAOU-UHFFFAOYSA-N 1 2 359.382 2.683 20 5 FFBDLO COc1cc(NC(=O)C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)cc(OC)c1 ZINC000126087827 963355088 /nfs/dbraw/zinc/35/50/88/963355088.db2.gz JHYNWUSDNDIAOU-UHFFFAOYSA-N 1 2 359.382 2.683 20 5 FFBDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001176133397 1013625276 /nfs/dbraw/zinc/62/52/76/1013625276.db2.gz JZYQGDJBIVCRAO-SECBINFHSA-N 1 2 367.203 2.575 20 5 FFBDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001176133397 1013625279 /nfs/dbraw/zinc/62/52/79/1013625279.db2.gz JZYQGDJBIVCRAO-SECBINFHSA-N 1 2 367.203 2.575 20 5 FFBDLO Cc1c(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000728538216 967160274 /nfs/dbraw/zinc/16/02/74/967160274.db2.gz JTENBOWFBCKACM-ZDUSSCGKSA-N 1 2 373.369 2.794 20 5 FFBDLO C[C@@H](NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000925241345 979711741 /nfs/dbraw/zinc/71/17/41/979711741.db2.gz PMBXTLJSBQQZQV-UKRRQHHQSA-N 1 2 357.414 2.979 20 5 FFBDLO Cc1ccc(C[NH2+]Cc2c(C(=O)OC(C)(C)C)cnn2C)cc1[N+](=O)[O-] ZINC000877730315 1014702042 /nfs/dbraw/zinc/70/20/42/1014702042.db2.gz VSTMKBGVPOHVSB-UHFFFAOYSA-N 1 2 360.414 2.882 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCSc2ccncc21 ZINC001126788860 982711104 /nfs/dbraw/zinc/71/11/04/982711104.db2.gz SAYOXFXMPJJHIX-UHFFFAOYSA-N 1 2 367.390 2.928 20 5 FFBDLO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000057406449 984496167 /nfs/dbraw/zinc/49/61/67/984496167.db2.gz BSNYZWLMCVSBGF-GPMSIDNRSA-N 1 2 374.485 2.800 20 5 FFBDLO Cc1cc(C(C)(C)C)cc(C)c1C[NH+]1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001030294984 984646965 /nfs/dbraw/zinc/64/69/65/984646965.db2.gz ZPZJUNOLSWRTDN-SJLPKXTDSA-N 1 2 359.470 2.567 20 5 FFBDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000172955019 985725610 /nfs/dbraw/zinc/72/56/10/985725610.db2.gz MEFHMKSREIKKIN-MRXNPFEDSA-N 1 2 365.384 2.796 20 5 FFBDLO COc1c([N+](=O)[O-])cc(Cl)c(C)c1NCC1([NH+]2CCCC2)COC1 ZINC001168451540 987263918 /nfs/dbraw/zinc/26/39/18/987263918.db2.gz OHAMYZQOGDORLB-UHFFFAOYSA-N 1 2 355.822 2.842 20 5 FFBDLO CO[C@@H]1C[C@@H]2C[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])Cc3cccnc3N2C1 ZINC000879267034 1015447205 /nfs/dbraw/zinc/44/72/05/1015447205.db2.gz UGHMGVSTYSQTNZ-IAGOWNOFSA-N 1 2 372.400 2.738 20 5 FFBDLO CO[C@@H]1C[C@@H]2C[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])Cc3cccnc3N2C1 ZINC000879267034 1015447212 /nfs/dbraw/zinc/44/72/12/1015447212.db2.gz UGHMGVSTYSQTNZ-IAGOWNOFSA-N 1 2 372.400 2.738 20 5 FFBDLO O=C(N[C@H](C1CCC1)[C@H]1CCCO1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001131609825 994456539 /nfs/dbraw/zinc/45/65/39/994456539.db2.gz UXRJGKNTBLOLGH-QZTJIDSGSA-N 1 2 370.409 2.858 20 5 FFBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CN1C(=O)C2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000811772823 995239428 /nfs/dbraw/zinc/23/94/28/995239428.db2.gz BGQKCPLSTKPKSY-ROUUACIJSA-N 1 2 373.453 2.587 20 5 FFBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CN1C(=O)C2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000811772823 995239437 /nfs/dbraw/zinc/23/94/37/995239437.db2.gz BGQKCPLSTKPKSY-ROUUACIJSA-N 1 2 373.453 2.587 20 5 FFBDLO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844750528 998116392 /nfs/dbraw/zinc/11/63/92/998116392.db2.gz OWQRKVAGFIJUGY-JKSUJKDBSA-N 1 2 367.352 2.611 20 5 FFBDLO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844750528 998116400 /nfs/dbraw/zinc/11/64/00/998116400.db2.gz OWQRKVAGFIJUGY-JKSUJKDBSA-N 1 2 367.352 2.611 20 5 FFBDLO O=C(Cc1cn2c([nH+]1)CCCC2)O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000845488018 998560903 /nfs/dbraw/zinc/56/09/03/998560903.db2.gz RKFVDDUONLZZBY-LSDHHAIUSA-N 1 2 373.413 2.594 20 5 FFBDLO CC(C)C(=O)N1CCC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000738089799 999616247 /nfs/dbraw/zinc/61/62/47/999616247.db2.gz MNFJKNQQUFVFLU-UHFFFAOYSA-N 1 2 371.441 2.606 20 5 FFBDLO CC(C)C(=O)N1CCC[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000738089799 999616250 /nfs/dbraw/zinc/61/62/50/999616250.db2.gz MNFJKNQQUFVFLU-UHFFFAOYSA-N 1 2 371.441 2.606 20 5 FFBDLO CCOC(=O)[C@H](CSCc1ccccc1)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168997959 1000014244 /nfs/dbraw/zinc/01/42/44/1000014244.db2.gz GVTDLNVAFHKBIE-BBWFWOEESA-N 1 2 366.483 2.887 20 5 FFBDLO CN(C)c1cc(COC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc[nH+]1 ZINC000767584485 1000125941 /nfs/dbraw/zinc/12/59/41/1000125941.db2.gz LTOXXILTYKDUGN-UHFFFAOYSA-N 1 2 352.350 2.961 20 5 FFBDLO C[N@H+](Cc1cccc(C(N)=O)c1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000768925923 1000389726 /nfs/dbraw/zinc/38/97/26/1000389726.db2.gz GFRCTRFYSVIDEY-UHFFFAOYSA-N 1 2 365.336 2.927 20 5 FFBDLO C[N@@H+](Cc1cccc(C(N)=O)c1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000768925923 1000389730 /nfs/dbraw/zinc/38/97/30/1000389730.db2.gz GFRCTRFYSVIDEY-UHFFFAOYSA-N 1 2 365.336 2.927 20 5 FFBDLO Cc1nn(Cc2ccc(C(=O)OCCn3cc[nH+]c3)cc2)c(C)c1[N+](=O)[O-] ZINC000771896292 1001240820 /nfs/dbraw/zinc/24/08/20/1001240820.db2.gz NDFAWEZNIZDFDY-UHFFFAOYSA-N 1 2 369.381 2.510 20 5 FFBDLO C[C@@H](OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000785676454 1001466371 /nfs/dbraw/zinc/46/63/71/1001466371.db2.gz VMSSRJODAJGCEZ-LLVKDONJSA-N 1 2 361.354 2.668 20 5 FFBDLO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2nc(-c3ccccc3)n[nH]2)n1 ZINC000774316328 1001855849 /nfs/dbraw/zinc/85/58/49/1001855849.db2.gz SVJWDAKHELQWBT-HUUCEWRRSA-N 1 2 367.413 2.850 20 5 FFBDLO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2nc(-c3ccccc3)n[nH]2)n1 ZINC000774316322 1001856850 /nfs/dbraw/zinc/85/68/50/1001856850.db2.gz SVJWDAKHELQWBT-GJZGRUSLSA-N 1 2 367.413 2.850 20 5 FFBDLO C[N@@H+]1CCC[C@H](Oc2c(I)cccc2[N+](=O)[O-])C1 ZINC001229881139 1036957146 /nfs/dbraw/zinc/95/71/46/1036957146.db2.gz ZMHFNOMFUDOZOJ-VIFPVBQESA-N 1 2 362.167 2.672 20 5 FFBDLO C[N@H+]1CCC[C@H](Oc2c(I)cccc2[N+](=O)[O-])C1 ZINC001229881139 1036957165 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PGZMRKAQRDUIIJ-GFCCVEGCSA-N 1 2 370.369 2.871 20 5 FFBDLO Nc1ccc(C(=O)OCC2CCN(c3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000851398618 1005880169 /nfs/dbraw/zinc/88/01/69/1005880169.db2.gz VLPLWWFDIITETK-UHFFFAOYSA-N 1 2 356.382 2.645 20 5 FFBDLO O=[N+]([O-])c1cc(Br)cnc1NCc1[nH]c2c([nH+]1)CCCC2 ZINC001187716375 1006212275 /nfs/dbraw/zinc/21/22/75/1006212275.db2.gz KDACIEGVCHAJLK-UHFFFAOYSA-N 1 2 352.192 2.966 20 5 FFBDLO CN(c1ccccc1)[C@@H]1CC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000853585997 1006459652 /nfs/dbraw/zinc/45/96/52/1006459652.db2.gz WROOAGTUSGDUBY-MRXNPFEDSA-N 1 2 368.393 2.671 20 5 FFBDLO CN(c1ccccc1)[C@@H]1CC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000853585997 1006459663 /nfs/dbraw/zinc/45/96/63/1006459663.db2.gz WROOAGTUSGDUBY-MRXNPFEDSA-N 1 2 368.393 2.671 20 5 FFBDLO C[C@H]1C[N@H+](Cc2ccccc2)C[C@]2(CCN(c3ncc([N+](=O)[O-])s3)C2)O1 ZINC000882980838 1006587919 /nfs/dbraw/zinc/58/79/19/1006587919.db2.gz VLAHHGOUVVPFQG-KSSFIOAISA-N 1 2 374.466 2.921 20 5 FFBDLO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@]2(CCN(c3ncc([N+](=O)[O-])s3)C2)O1 ZINC000882980838 1006587931 /nfs/dbraw/zinc/58/79/31/1006587931.db2.gz VLAHHGOUVVPFQG-KSSFIOAISA-N 1 2 374.466 2.921 20 5 FFBDLO O=C(OCc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1[N+](=O)[O-] ZINC000817178763 1007457820 /nfs/dbraw/zinc/45/78/20/1007457820.db2.gz JTSDHXYBQLHGPG-UHFFFAOYSA-N 1 2 356.378 2.784 20 5 FFBDLO CC1CCN(c2ccc(C(=O)N[C@H]3CCn4c[nH+]cc43)cc2[N+](=O)[O-])CC1 ZINC000857990577 1008270680 /nfs/dbraw/zinc/27/06/80/1008270680.db2.gz YZLGDFKWYHIEHX-HNNXBMFYSA-N 1 2 369.425 2.902 20 5 FFBDLO C[C@H]([C@H](C)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21)[NH+]1CCOCC1 ZINC000859228491 1008490461 /nfs/dbraw/zinc/49/04/61/1008490461.db2.gz SJDQMHYYZWLNMA-UONOGXRCSA-N 1 2 357.410 2.587 20 5 FFBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[NH+]1CCC(C2CCOCC2)CC1 ZINC000794636780 1010449609 /nfs/dbraw/zinc/44/96/09/1010449609.db2.gz NGRCTJVWQTZPPY-UHFFFAOYSA-N 1 2 361.398 2.599 20 5 FFBDLO CC[C@H]1C[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C[C@]2(CCOC2)O1 ZINC000794692471 1010498438 /nfs/dbraw/zinc/49/84/38/1010498438.db2.gz GHHXQQGPDQNOAW-OALUTQOASA-N 1 2 372.425 2.686 20 5 FFBDLO CC[C@H]1C[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C[C@]2(CCOC2)O1 ZINC000794692471 1010498442 /nfs/dbraw/zinc/49/84/42/1010498442.db2.gz GHHXQQGPDQNOAW-OALUTQOASA-N 1 2 372.425 2.686 20 5 FFBDLO CC[C@@H]1C[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C[C@@]2(CCOC2)O1 ZINC000794704714 1010555608 /nfs/dbraw/zinc/55/56/08/1010555608.db2.gz MPABWSGZQCGUQS-RTBURBONSA-N 1 2 372.425 2.686 20 5 FFBDLO CC[C@@H]1C[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C[C@@]2(CCOC2)O1 ZINC000794704714 1010555613 /nfs/dbraw/zinc/55/56/13/1010555613.db2.gz MPABWSGZQCGUQS-RTBURBONSA-N 1 2 372.425 2.686 20 5 FFBDLO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927073572 1018347448 /nfs/dbraw/zinc/34/74/48/1018347448.db2.gz VHISKBDZLRKDRS-UHFFFAOYSA-N 1 2 358.373 2.775 20 5 FFBDLO COc1cc(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000927095659 1018359636 /nfs/dbraw/zinc/35/96/36/1018359636.db2.gz UFQBZYRZUMXGQD-UHFFFAOYSA-N 1 2 356.382 2.715 20 5 FFBDLO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCN(c3c(F)cccc3F)CC2)cc1 ZINC000828832591 1032860810 /nfs/dbraw/zinc/86/08/10/1032860810.db2.gz XTJKWKOAPTYYFN-QGZVFWFLSA-N 1 2 363.364 2.729 20 5 FFBDLO O=C(O[C@@H]1CC[N@H+](CCF)C1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000802242785 1019923705 /nfs/dbraw/zinc/92/37/05/1019923705.db2.gz QMOQNJBFEIEVKZ-OAHLLOKOSA-N 1 2 365.405 2.786 20 5 FFBDLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000802242785 1019923710 /nfs/dbraw/zinc/92/37/10/1019923710.db2.gz QMOQNJBFEIEVKZ-OAHLLOKOSA-N 1 2 365.405 2.786 20 5 FFBDLO O=C(NCC[NH+]1Cc2ccccc2C1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000930651795 1020120892 /nfs/dbraw/zinc/12/08/92/1020120892.db2.gz BOKBJYXZFLWVLA-OALUTQOASA-N 1 2 351.406 2.830 20 5 FFBDLO CC(C)C(=O)N1CCC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000777954698 1020296137 /nfs/dbraw/zinc/29/61/37/1020296137.db2.gz BISINVQFJAEWFL-UHFFFAOYSA-N 1 2 371.441 2.606 20 5 FFBDLO CC(C)C(=O)N1CCC[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000777954698 1020296145 /nfs/dbraw/zinc/29/61/45/1020296145.db2.gz BISINVQFJAEWFL-UHFFFAOYSA-N 1 2 371.441 2.606 20 5 FFBDLO CCCSc1nc(O[C@H]2CCC23CC[NH2+]CC3)c([N+](=O)[O-])c(=O)[nH]1 ZINC001218080097 1032985305 /nfs/dbraw/zinc/98/53/05/1032985305.db2.gz BBOVLDQNVZZFPC-JTQLQIEISA-N 1 2 354.432 2.504 20 5 FFBDLO O=C(C[N@H+]1CCC[C@@](O)(c2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC001118844282 1022433427 /nfs/dbraw/zinc/43/34/27/1022433427.db2.gz GYHLYVIKTMVQEX-IBGZPJMESA-N 1 2 355.394 2.517 20 5 FFBDLO O=C(C[N@@H+]1CCC[C@@](O)(c2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC001118844282 1022433437 /nfs/dbraw/zinc/43/34/37/1022433437.db2.gz GYHLYVIKTMVQEX-IBGZPJMESA-N 1 2 355.394 2.517 20 5 FFBDLO CCCSc1nc(O[C@H]2CC[NH2+]C3(CCC3)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001218309657 1033097807 /nfs/dbraw/zinc/09/78/07/1033097807.db2.gz UPFNJEPEJWIUQF-JTQLQIEISA-N 1 2 354.432 2.646 20 5 FFBDLO Cn1c(C[NH+]2CCCCC2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001121405014 1023754496 /nfs/dbraw/zinc/75/44/96/1023754496.db2.gz UUDNFXPPHAFNRU-UHFFFAOYSA-N 1 2 370.457 2.878 20 5 FFBDLO O=[N+]([O-])c1c(O)cc(C(F)(F)F)nc1O[C@@H]1C[NH2+]Cc2ccccc21 ZINC001218491150 1033178816 /nfs/dbraw/zinc/17/88/16/1033178816.db2.gz VZUHGGJSKQRCQA-LLVKDONJSA-N 1 2 355.272 2.938 20 5 FFBDLO Cn1c[nH+]cc1C1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC001124043520 1024252120 /nfs/dbraw/zinc/25/21/20/1024252120.db2.gz ICEGQUYFBJBNED-UHFFFAOYSA-N 1 2 353.382 2.829 20 5 FFBDLO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000839646348 1026774068 /nfs/dbraw/zinc/77/40/68/1026774068.db2.gz IGNVDPJUTZBBEK-OXQOHEQNSA-N 1 2 355.438 2.835 20 5 FFBDLO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000839646348 1026774071 /nfs/dbraw/zinc/77/40/71/1026774071.db2.gz IGNVDPJUTZBBEK-OXQOHEQNSA-N 1 2 355.438 2.835 20 5 FFBDLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3N)CC2)cc1 ZINC001153437569 1027879217 /nfs/dbraw/zinc/87/92/17/1027879217.db2.gz NORKRITUEIONDJ-UHFFFAOYSA-N 1 2 368.437 2.697 20 5 FFBDLO Cc1cnn(CC2CC2)c1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001115974383 1032043699 /nfs/dbraw/zinc/04/36/99/1032043699.db2.gz MUUMKRTVZRBILI-UHFFFAOYSA-N 1 2 366.381 2.948 20 5 FFBDLO O=[N+]([O-])c1ccnc(Cl)c1O[C@H]1COCC[N@H+](Cc2ccccc2)C1 ZINC001225434648 1034252561 /nfs/dbraw/zinc/25/25/61/1034252561.db2.gz IGJHBYOIHCPUJE-CQSZACIVSA-N 1 2 363.801 2.923 20 5 FFBDLO O=[N+]([O-])c1ccnc(Cl)c1O[C@H]1COCC[N@@H+](Cc2ccccc2)C1 ZINC001225434648 1034252573 /nfs/dbraw/zinc/25/25/73/1034252573.db2.gz IGJHBYOIHCPUJE-CQSZACIVSA-N 1 2 363.801 2.923 20 5 FFBDLO CC(C)(CCc1noc(-c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1)[N+](=O)[O-] ZINC000834745008 1035441984 /nfs/dbraw/zinc/44/19/84/1035441984.db2.gz XUXMQCXEDSZBAU-UHFFFAOYSA-N 1 2 372.341 2.818 20 5 FFBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000835058112 1035495205 /nfs/dbraw/zinc/49/52/05/1035495205.db2.gz JRDNUXGAFPEICK-UHFFFAOYSA-N 1 2 357.370 2.529 20 5 FFBDLO Cc1nn(C)c(C)c1CCOC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835240613 1035637464 /nfs/dbraw/zinc/63/74/64/1035637464.db2.gz ZGOKPSAZNOSYAV-UHFFFAOYSA-N 1 2 369.381 2.530 20 5 FFBDLO O=c1c2c(O)ccc(O)c2oc2cc(O)cc(O[C@H]3C[NH+]4CCC3CC4)c21 ZINC001234124450 1036928234 /nfs/dbraw/zinc/92/82/34/1036928234.db2.gz ITAHRQJSMLJWRV-INIZCTEOSA-N 1 2 369.373 2.536 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(O[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC001234875067 1037217514 /nfs/dbraw/zinc/21/75/14/1037217514.db2.gz BATBZNQNVCEQEE-PBHICJAKSA-N 1 2 373.409 2.667 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(O[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC001234875067 1037217522 /nfs/dbraw/zinc/21/75/22/1037217522.db2.gz BATBZNQNVCEQEE-PBHICJAKSA-N 1 2 373.409 2.667 20 5 FFBDLO C[C@@H](C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC001255840559 1038198308 /nfs/dbraw/zinc/19/83/08/1038198308.db2.gz VSPCLMGKSRMIQC-HUUCEWRRSA-N 1 2 356.426 2.913 20 5 FFBDLO CNc1cc(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc[nH+]1 ZINC001256467234 1038523826 /nfs/dbraw/zinc/52/38/26/1038523826.db2.gz XUDARFWDZMZYHT-UHFFFAOYSA-N 1 2 355.398 2.906 20 5 FFBDLO C[NH+]1CCN(C(=O)c2ccc3[nH]c(-c4ccc([N+](=O)[O-])s4)nc3c2)CC1 ZINC001250897053 1038792291 /nfs/dbraw/zinc/79/22/91/1038792291.db2.gz VHKITSZDUSDVMF-UHFFFAOYSA-N 1 2 371.422 2.587 20 5 FFBDLO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)Nc2c(C)c[nH+]cc2C)c1 ZINC001537609704 1070219669 /nfs/dbraw/zinc/21/96/69/1070219669.db2.gz NIPNOFFTKOOQLP-UHFFFAOYSA-N 1 2 365.393 2.834 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3C[C@H](CO)CC(F)(F)C3)CC2)cc1 ZINC001254474400 1040739469 /nfs/dbraw/zinc/73/94/69/1040739469.db2.gz PIBNDUYWHGXVKW-CYBMUJFWSA-N 1 2 355.385 2.513 20 5 FFBDLO O=[N+]([O-])c1ccc(N2CCC([N@H+]3C[C@H](CO)CC(F)(F)C3)CC2)cc1 ZINC001254474400 1040739487 /nfs/dbraw/zinc/73/94/87/1040739487.db2.gz PIBNDUYWHGXVKW-CYBMUJFWSA-N 1 2 355.385 2.513 20 5 FFBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCn2nc(C(F)(F)F)nc2C1 ZINC001254550742 1040792912 /nfs/dbraw/zinc/79/29/12/1040792912.db2.gz QBWRRLLOTCRXLY-JTQLQIEISA-N 1 2 355.320 2.652 20 5 FFBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCn2nc(C(F)(F)F)nc2C1 ZINC001254550742 1040792923 /nfs/dbraw/zinc/79/29/23/1040792923.db2.gz QBWRRLLOTCRXLY-JTQLQIEISA-N 1 2 355.320 2.652 20 5 FFBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC001254553314 1040794294 /nfs/dbraw/zinc/79/42/94/1040794294.db2.gz UXVVJSXTCRXAOY-JTQLQIEISA-N 1 2 355.320 2.652 20 5 FFBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC001254553314 1040794306 /nfs/dbraw/zinc/79/43/06/1040794306.db2.gz UXVVJSXTCRXAOY-JTQLQIEISA-N 1 2 355.320 2.652 20 5 FFBDLO COCCO[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC001262270788 1041625096 /nfs/dbraw/zinc/62/50/96/1041625096.db2.gz HWOMVDRFFUBIBX-CYBMUJFWSA-N 1 2 359.220 2.595 20 5 FFBDLO COCCO[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC001262270788 1041625097 /nfs/dbraw/zinc/62/50/97/1041625097.db2.gz HWOMVDRFFUBIBX-CYBMUJFWSA-N 1 2 359.220 2.595 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCc2c[nH]c(C(C)C)[nH+]2)c1 ZINC001309893549 1043578257 /nfs/dbraw/zinc/57/82/57/1043578257.db2.gz DRXCAAGEFRMAJT-UHFFFAOYSA-N 1 2 352.416 2.537 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCc2c[nH+]c(C(C)C)[nH]2)c1 ZINC001309893549 1043578264 /nfs/dbraw/zinc/57/82/64/1043578264.db2.gz DRXCAAGEFRMAJT-UHFFFAOYSA-N 1 2 352.416 2.537 20 5 FFBDLO C[C@H](C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)[NH+](C)C ZINC001539142786 1070567287 /nfs/dbraw/zinc/56/72/87/1070567287.db2.gz REYKMSLEUUSKIM-GFCCVEGCSA-N 1 2 357.366 2.703 20 5 FFBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC001319529328 1045183467 /nfs/dbraw/zinc/18/34/67/1045183467.db2.gz OFVWPHLDPLGLQY-MRXNPFEDSA-N 1 2 371.441 2.535 20 5 FFBDLO COc1ccc(NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC001320117199 1045351605 /nfs/dbraw/zinc/35/16/05/1045351605.db2.gz VQFWIUQQKXVVAA-CYBMUJFWSA-N 1 2 373.413 2.824 20 5 FFBDLO COc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccncc2)cc1[N+](=O)[O-] ZINC001320860953 1045483679 /nfs/dbraw/zinc/48/36/79/1045483679.db2.gz JXZRWBAPZSGUJD-INIZCTEOSA-N 1 2 370.409 2.992 20 5 FFBDLO COc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccncc2)cc1[N+](=O)[O-] ZINC001320860953 1045483681 /nfs/dbraw/zinc/48/36/81/1045483681.db2.gz JXZRWBAPZSGUJD-INIZCTEOSA-N 1 2 370.409 2.992 20 5 FFBDLO C[N@H+](CCc1cnccn1)Cc1ccc([N+](=O)[O-])cc1Br ZINC001325792058 1046641307 /nfs/dbraw/zinc/64/13/07/1046641307.db2.gz YOOLPWHROUKRQH-UHFFFAOYSA-N 1 2 351.204 2.822 20 5 FFBDLO C[N@@H+](CCc1cnccn1)Cc1ccc([N+](=O)[O-])cc1Br ZINC001325792058 1046641313 /nfs/dbraw/zinc/64/13/13/1046641313.db2.gz YOOLPWHROUKRQH-UHFFFAOYSA-N 1 2 351.204 2.822 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC001329343349 1048677368 /nfs/dbraw/zinc/67/73/68/1048677368.db2.gz CYWVIXSRPOHCKB-FQEVSTJZSA-N 1 2 369.421 2.825 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC001329343349 1048677375 /nfs/dbraw/zinc/67/73/75/1048677375.db2.gz CYWVIXSRPOHCKB-FQEVSTJZSA-N 1 2 369.421 2.825 20 5 FFBDLO CC[C@@H]1C[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])[C@H](CC)CN1C(C)=O ZINC001334138352 1049270353 /nfs/dbraw/zinc/27/03/53/1049270353.db2.gz CPLGAQXWKNYTDC-HUUCEWRRSA-N 1 2 365.430 2.530 20 5 FFBDLO CC[C@@H]1C[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])[C@H](CC)CN1C(C)=O ZINC001334138352 1049270366 /nfs/dbraw/zinc/27/03/66/1049270366.db2.gz CPLGAQXWKNYTDC-HUUCEWRRSA-N 1 2 365.430 2.530 20 5 FFBDLO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001302453733 1051118350 /nfs/dbraw/zinc/11/83/50/1051118350.db2.gz FYBYMUGUPSTXSD-UHFFFAOYSA-N 1 2 373.384 2.706 20 5 FFBDLO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@H]1c2ccccc2C[N@H+]1C ZINC001307191255 1052264490 /nfs/dbraw/zinc/26/44/90/1052264490.db2.gz NZWYXEPEYUIXKA-LLVKDONJSA-N 1 2 355.320 2.946 20 5 FFBDLO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC001307191255 1052264501 /nfs/dbraw/zinc/26/45/01/1052264501.db2.gz NZWYXEPEYUIXKA-LLVKDONJSA-N 1 2 355.320 2.946 20 5 FFBDLO C[C@@H]([NH2+][C@H](CO)c1cc(F)ccc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001308159382 1052420404 /nfs/dbraw/zinc/42/04/04/1052420404.db2.gz INBDTNFKJYNXCU-QLJPJBMISA-N 1 2 365.336 2.523 20 5 FFBDLO O=C1N(C[N@@H+]2CC[C@@H](c3nccs3)C2)CCN1c1ccccc1[N+](=O)[O-] ZINC001337169111 1054529203 /nfs/dbraw/zinc/52/92/03/1054529203.db2.gz ISFNGRJAHJXLNJ-CYBMUJFWSA-N 1 2 373.438 2.740 20 5 FFBDLO O=C1N(C[N@H+]2CC[C@@H](c3nccs3)C2)CCN1c1ccccc1[N+](=O)[O-] ZINC001337169111 1054529213 /nfs/dbraw/zinc/52/92/13/1054529213.db2.gz ISFNGRJAHJXLNJ-CYBMUJFWSA-N 1 2 373.438 2.740 20 5 FFBDLO Cn1c[nH+]cc1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC001337891515 1055087309 /nfs/dbraw/zinc/08/73/09/1055087309.db2.gz HXGWHSWYWZPODL-DLBZAZTESA-N 1 2 354.410 2.838 20 5 FFBDLO COc1ccc(NC(=O)NCC[NH+]2Cc3ccccc3C2)c([N+](=O)[O-])c1 ZINC001350143147 1055646249 /nfs/dbraw/zinc/64/62/49/1055646249.db2.gz KOZKVDOGIAJNPW-UHFFFAOYSA-N 1 2 356.382 2.741 20 5 FFBDLO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c2ccccc12)[C@@H]1CN(C)CC[N@@H+]1C ZINC001517886771 1058189335 /nfs/dbraw/zinc/18/93/35/1058189335.db2.gz BEPPJRRCCDGVEF-ACJLOTCBSA-N 1 2 371.441 2.504 20 5 FFBDLO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c2ccccc12)[C@@H]1CN(C)CC[N@H+]1C ZINC001517886771 1058189341 /nfs/dbraw/zinc/18/93/41/1058189341.db2.gz BEPPJRRCCDGVEF-ACJLOTCBSA-N 1 2 371.441 2.504 20 5 FFBDLO CC[C@H](C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCO[C@H](CC)C1 ZINC001445407700 1058400771 /nfs/dbraw/zinc/40/07/71/1058400771.db2.gz BGQVAGSLKYEDKF-IAGOWNOFSA-N 1 2 363.458 2.836 20 5 FFBDLO CC[C@H](C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCO[C@H](CC)C1 ZINC001445407700 1058400778 /nfs/dbraw/zinc/40/07/78/1058400778.db2.gz BGQVAGSLKYEDKF-IAGOWNOFSA-N 1 2 363.458 2.836 20 5 FFBDLO COCc1cc(O)ccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001451247306 1059096914 /nfs/dbraw/zinc/09/69/14/1059096914.db2.gz HQIAXMMUIDMSNG-UHFFFAOYSA-N 1 2 368.349 2.885 20 5 FFBDLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001452106523 1059181999 /nfs/dbraw/zinc/18/19/99/1059181999.db2.gz XXFFUKNETFUOHI-LBPRGKRZSA-N 1 2 369.406 2.660 20 5 FFBDLO CC(C)c1[nH]cc(CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)[nH+]1 ZINC001456344335 1060097984 /nfs/dbraw/zinc/09/79/84/1060097984.db2.gz KIXHNDYCQXEWIQ-UHFFFAOYSA-N 1 2 355.354 2.625 20 5 FFBDLO CC(C)c1[nH]c(CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)c[nH+]1 ZINC001456344335 1060098004 /nfs/dbraw/zinc/09/80/04/1060098004.db2.gz KIXHNDYCQXEWIQ-UHFFFAOYSA-N 1 2 355.354 2.625 20 5 FFBDLO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000848483665 1060125900 /nfs/dbraw/zinc/12/59/00/1060125900.db2.gz NIBQIXDTXAEJPA-HUUCEWRRSA-N 1 2 369.368 2.572 20 5 FFBDLO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000848483665 1060125907 /nfs/dbraw/zinc/12/59/07/1060125907.db2.gz NIBQIXDTXAEJPA-HUUCEWRRSA-N 1 2 369.368 2.572 20 5 FFBDLO CC[C@@H]1C[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C[C@]2(CCOC2)O1 ZINC000848486427 1060129431 /nfs/dbraw/zinc/12/94/31/1060129431.db2.gz FWGVVPWZWHEEJJ-APWZRJJASA-N 1 2 372.425 2.686 20 5 FFBDLO CC[C@@H]1C[N@@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C[C@]2(CCOC2)O1 ZINC000848486427 1060129441 /nfs/dbraw/zinc/12/94/41/1060129441.db2.gz FWGVVPWZWHEEJJ-APWZRJJASA-N 1 2 372.425 2.686 20 5 FFBDLO C[C@H]1OCC[C@]12C[N@H+](Cn1cc(-c3ccccc3[N+](=O)[O-])cn1)C[C@@H](C)O2 ZINC000848487335 1060133617 /nfs/dbraw/zinc/13/36/17/1060133617.db2.gz QZVUFVCXUWXGDF-CLCXKQKWSA-N 1 2 372.425 2.684 20 5 FFBDLO C[C@H]1OCC[C@]12C[N@@H+](Cn1cc(-c3ccccc3[N+](=O)[O-])cn1)C[C@@H](C)O2 ZINC000848487335 1060133627 /nfs/dbraw/zinc/13/36/27/1060133627.db2.gz QZVUFVCXUWXGDF-CLCXKQKWSA-N 1 2 372.425 2.684 20 5 FFBDLO O=C(Nc1cccc2[nH+]ccn21)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001360225393 1061918039 /nfs/dbraw/zinc/91/80/39/1061918039.db2.gz SPANNTZLBFJDHF-UHFFFAOYSA-N 1 2 354.322 2.656 20 5 FFBDLO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)Oc1ccccc1 ZINC001360360053 1061940728 /nfs/dbraw/zinc/94/07/28/1061940728.db2.gz NFCGVWUFCBWVNE-AWEZNQCLSA-N 1 2 366.377 2.978 20 5 FFBDLO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001529203235 1062223850 /nfs/dbraw/zinc/22/38/50/1062223850.db2.gz BWQGAGAEXDWMOL-ZWKOTPCHSA-N 1 2 354.410 2.903 20 5 FFBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001464356840 1062568748 /nfs/dbraw/zinc/56/87/48/1062568748.db2.gz GWASNIYAQQJVHP-OAHLLOKOSA-N 1 2 372.406 2.511 20 5 FFBDLO Cc1cc(CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc(C)[nH+]1 ZINC001436886391 1062794392 /nfs/dbraw/zinc/79/43/92/1062794392.db2.gz SOGVMQMQSNSLRB-UHFFFAOYSA-N 1 2 351.366 2.722 20 5 FFBDLO CN(CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1cccc[nH+]1 ZINC001471491610 1064693551 /nfs/dbraw/zinc/69/35/51/1064693551.db2.gz XYVXUYMFJFNGNG-UHFFFAOYSA-N 1 2 362.817 2.828 20 5 FFBDLO C[C@H]1Cc2n[nH]cc2C[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001473797517 1065368073 /nfs/dbraw/zinc/36/80/73/1065368073.db2.gz ROAYGZWRBTZKMD-JTQLQIEISA-N 1 2 363.805 2.604 20 5 FFBDLO C[C@H]1Cc2n[nH]cc2C[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001473797517 1065368079 /nfs/dbraw/zinc/36/80/79/1065368079.db2.gz ROAYGZWRBTZKMD-JTQLQIEISA-N 1 2 363.805 2.604 20 5 FFBDLO CCOC(=O)c1ccnc(N2CCC[C@@H]2c2[nH]c(C)c(C)[nH+]2)c1[N+](=O)[O-] ZINC001559279417 1076145012 /nfs/dbraw/zinc/14/50/12/1076145012.db2.gz OWLSCLXUCDMUCW-CYBMUJFWSA-N 1 2 359.386 2.848 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CCc2c[nH+]ccc21 ZINC001561311579 1076360660 /nfs/dbraw/zinc/36/06/60/1076360660.db2.gz APUWXIUTQJQPJH-UHFFFAOYSA-N 1 2 353.787 2.703 20 5 FFBDLO O=C(Nc1ccc2[nH+]ccn2c1)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001587889563 1079886385 /nfs/dbraw/zinc/88/63/85/1079886385.db2.gz HESSRNJWJGEDMH-UHFFFAOYSA-N 1 2 354.322 2.656 20 5 FFBDLO O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000028404273 249347139 /nfs/dbraw/zinc/34/71/39/249347139.db2.gz FARPGJSNFWAMRC-UHFFFAOYSA-N 1 2 354.370 2.506 20 5 FFBDLO CCS(=O)(=O)CC[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093643373 250038889 /nfs/dbraw/zinc/03/88/89/250038889.db2.gz MJCZKFFRGZDKKR-UHFFFAOYSA-N 1 2 352.412 2.721 20 5 FFBDLO CCS(=O)(=O)CC[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093643373 250038891 /nfs/dbraw/zinc/03/88/91/250038891.db2.gz MJCZKFFRGZDKKR-UHFFFAOYSA-N 1 2 352.412 2.721 20 5 FFBDLO CC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCN1CC(F)F ZINC000153389646 251132382 /nfs/dbraw/zinc/13/23/82/251132382.db2.gz FBFQPAIIENILOY-CQSZACIVSA-N 1 2 371.384 2.623 20 5 FFBDLO CC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCN1CC(F)F ZINC000153389646 251132387 /nfs/dbraw/zinc/13/23/87/251132387.db2.gz FBFQPAIIENILOY-CQSZACIVSA-N 1 2 371.384 2.623 20 5 FFBDLO Cn1ccnc1[C@@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000272518781 252058038 /nfs/dbraw/zinc/05/80/38/252058038.db2.gz KRUOWEIUQDLBJN-ODCWNRFASA-N 1 2 364.471 2.555 20 5 FFBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000276278143 256086380 /nfs/dbraw/zinc/08/63/80/256086380.db2.gz MTHVNLGISZSTOR-ZBFHGGJFSA-N 1 2 372.425 2.904 20 5 FFBDLO O=[N+]([O-])c1cc2ccccc2nc1NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000276674285 256120931 /nfs/dbraw/zinc/12/09/31/256120931.db2.gz UFPGPJBGXPEWIV-UHFFFAOYSA-N 1 2 365.393 2.987 20 5 FFBDLO Cc1cc(NC(=O)c2ccccc2C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000277754455 256235448 /nfs/dbraw/zinc/23/54/48/256235448.db2.gz WPEVLVLTWAPEFV-UHFFFAOYSA-N 1 2 355.394 2.988 20 5 FFBDLO O=[N+]([O-])c1ccccc1NCc1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000278074648 256274148 /nfs/dbraw/zinc/27/41/48/256274148.db2.gz NNBZAHQUUADVMX-IUODEOHRSA-N 1 2 359.386 2.516 20 5 FFBDLO O=[N+]([O-])c1ccccc1NCc1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000278074648 256274150 /nfs/dbraw/zinc/27/41/50/256274150.db2.gz NNBZAHQUUADVMX-IUODEOHRSA-N 1 2 359.386 2.516 20 5 FFBDLO O=C(NC[C@H]1CCC(F)(F)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000280558500 256533035 /nfs/dbraw/zinc/53/30/35/256533035.db2.gz JICYPMSHZNNQLT-NSHDSACASA-N 1 2 350.325 2.946 20 5 FFBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000286876471 257059613 /nfs/dbraw/zinc/05/96/13/257059613.db2.gz HXEZGFQVMSNZKK-DGCLKSJQSA-N 1 2 368.821 2.575 20 5 FFBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000289252961 257269361 /nfs/dbraw/zinc/26/93/61/257269361.db2.gz CNMBKKNGGSOLEM-OAHLLOKOSA-N 1 2 370.409 2.817 20 5 FFBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000289252961 257269363 /nfs/dbraw/zinc/26/93/63/257269363.db2.gz CNMBKKNGGSOLEM-OAHLLOKOSA-N 1 2 370.409 2.817 20 5 FFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c2c(c1)COCO2 ZINC000289833008 257301907 /nfs/dbraw/zinc/30/19/07/257301907.db2.gz JVWYGFIELIMKJK-CQSZACIVSA-N 1 2 364.789 2.758 20 5 FFBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c2c(c1)COCO2 ZINC000289833008 257301908 /nfs/dbraw/zinc/30/19/08/257301908.db2.gz JVWYGFIELIMKJK-CQSZACIVSA-N 1 2 364.789 2.758 20 5 FFBDLO COC(C[N@H+](CCCO)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])OC ZINC000289564505 257287396 /nfs/dbraw/zinc/28/73/96/257287396.db2.gz PXAGETGPGFATHJ-UHFFFAOYSA-N 1 2 367.229 2.705 20 5 FFBDLO COC(C[N@@H+](CCCO)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])OC ZINC000289564505 257287397 /nfs/dbraw/zinc/28/73/97/257287397.db2.gz PXAGETGPGFATHJ-UHFFFAOYSA-N 1 2 367.229 2.705 20 5 FFBDLO CC(C)(CNc1cc(Br)ccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000301338560 258043407 /nfs/dbraw/zinc/04/34/07/258043407.db2.gz HMKKDGCRRDUUDV-UHFFFAOYSA-N 1 2 358.236 2.880 20 5 FFBDLO COc1cc(N2CC[NH+](Cc3nc4ccccc4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000302783159 258110656 /nfs/dbraw/zinc/11/06/56/258110656.db2.gz KXJADLKMOOXQMP-UHFFFAOYSA-N 1 2 367.409 2.802 20 5 FFBDLO COc1ccc([C@H](CNc2ncc(C)cc2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000301459233 258050872 /nfs/dbraw/zinc/05/08/72/258050872.db2.gz TXNIMKDNGNAUAH-SFHVURJKSA-N 1 2 372.425 2.792 20 5 FFBDLO Cc1cc(N[C@H](C)CO[C@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301571337 258056475 /nfs/dbraw/zinc/05/64/75/258056475.db2.gz OAUOUCPNVXITCC-CJNGLKHVSA-N 1 2 358.398 2.966 20 5 FFBDLO Cc1nc(NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000301645517 258060327 /nfs/dbraw/zinc/06/03/27/258060327.db2.gz NNNGOLMJUOPASW-CHWSQXEVSA-N 1 2 357.414 2.919 20 5 FFBDLO COC(=O)/C=C/c1ccc(N[C@H]2CCN(c3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000301764790 258066436 /nfs/dbraw/zinc/06/64/36/258066436.db2.gz GBMGOHUQCHRFPZ-VFADXPBXSA-N 1 2 368.393 2.867 20 5 FFBDLO Cc1[nH+]c2ccccc2n1CCCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301821494 258069359 /nfs/dbraw/zinc/06/93/59/258069359.db2.gz BNYQFQDVXUGIBW-UHFFFAOYSA-N 1 2 351.370 2.798 20 5 FFBDLO CC(=O)N1CC[C@@H](CN(C)c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000301853924 258070623 /nfs/dbraw/zinc/07/06/23/258070623.db2.gz QMAIGMAKBBSEPD-HNNXBMFYSA-N 1 2 369.425 2.665 20 5 FFBDLO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000331304125 258181851 /nfs/dbraw/zinc/18/18/51/258181851.db2.gz YBGCKPPHVNBCNW-ZETOZRRWSA-N 1 2 355.822 2.668 20 5 FFBDLO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000331304125 258181852 /nfs/dbraw/zinc/18/18/52/258181852.db2.gz YBGCKPPHVNBCNW-ZETOZRRWSA-N 1 2 355.822 2.668 20 5 FFBDLO C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000052844515 506263567 /nfs/dbraw/zinc/26/35/67/506263567.db2.gz QFUJTXXAQOFSFL-HNNXBMFYSA-N 1 2 360.458 2.554 20 5 FFBDLO NC(=O)Nc1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000032626571 506271758 /nfs/dbraw/zinc/27/17/58/506271758.db2.gz JTDUOQBFHBZKND-UHFFFAOYSA-N 1 2 366.337 2.523 20 5 FFBDLO C[NH+](C)[C@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(F)c1 ZINC000032731275 506286679 /nfs/dbraw/zinc/28/66/79/506286679.db2.gz YXGDPCIZDZWYDX-MRXNPFEDSA-N 1 2 371.372 2.643 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1CN1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000065681978 506343856 /nfs/dbraw/zinc/34/38/56/506343856.db2.gz RWXFPNVJIKKEPX-UHFFFAOYSA-N 1 2 360.414 2.526 20 5 FFBDLO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000033471457 506357105 /nfs/dbraw/zinc/35/71/05/506357105.db2.gz CXMCKQTUORRDOY-TWGQIWQCSA-N 1 2 365.433 2.995 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@H+](C)Cc2scnc2C)c([N+](=O)[O-])c1 ZINC000066566107 506557734 /nfs/dbraw/zinc/55/77/34/506557734.db2.gz AESWYHRRPLMKMS-UHFFFAOYSA-N 1 2 364.427 2.829 20 5 FFBDLO CCOc1ccc(NC(=O)C[N@@H+](C)Cc2scnc2C)c([N+](=O)[O-])c1 ZINC000066566107 506557742 /nfs/dbraw/zinc/55/77/42/506557742.db2.gz AESWYHRRPLMKMS-UHFFFAOYSA-N 1 2 364.427 2.829 20 5 FFBDLO CCc1[nH+]c2ccccc2n1CC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000068183998 507141318 /nfs/dbraw/zinc/14/13/18/507141318.db2.gz JVGHSJYNDYCIKT-UHFFFAOYSA-N 1 2 368.393 2.702 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000068197696 507146028 /nfs/dbraw/zinc/14/60/28/507146028.db2.gz YJVYKZPFFNYVQY-UHFFFAOYSA-N 1 2 371.393 2.688 20 5 FFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000020173147 507214373 /nfs/dbraw/zinc/21/43/73/507214373.db2.gz FHZCUSUUTQQFSZ-CQSZACIVSA-N 1 2 372.400 2.883 20 5 FFBDLO CN(C(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CCCCC1 ZINC000047743122 507387499 /nfs/dbraw/zinc/38/74/99/507387499.db2.gz CQDKKHPOOVSOFW-UHFFFAOYSA-N 1 2 360.458 2.508 20 5 FFBDLO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744268 507388367 /nfs/dbraw/zinc/38/83/67/507388367.db2.gz VDSWHUAIQDGSPO-BRWVUGGUSA-N 1 2 374.485 2.610 20 5 FFBDLO CCOC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000025509228 507506508 /nfs/dbraw/zinc/50/65/08/507506508.db2.gz YWRLQZDZYRZWCZ-ZDUSSCGKSA-N 1 2 363.414 2.505 20 5 FFBDLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000371359539 512351941 /nfs/dbraw/zinc/35/19/41/512351941.db2.gz KDWVLKWDAODLEW-JTQLQIEISA-N 1 2 354.288 2.624 20 5 FFBDLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000371359539 512351943 /nfs/dbraw/zinc/35/19/43/512351943.db2.gz KDWVLKWDAODLEW-JTQLQIEISA-N 1 2 354.288 2.624 20 5 FFBDLO O=C(Cc1ccccc1[N+](=O)[O-])NCCc1[nH+]ccn1Cc1ccccc1 ZINC000027471070 507660373 /nfs/dbraw/zinc/66/03/73/507660373.db2.gz KNYYWWDLBMLHEE-UHFFFAOYSA-N 1 2 364.405 2.741 20 5 FFBDLO COc1ccc(NC(=O)CC[N@H+](C)Cc2cscn2)c([N+](=O)[O-])c1 ZINC000063591365 507748270 /nfs/dbraw/zinc/74/82/70/507748270.db2.gz JMGCULXRNMFDJX-UHFFFAOYSA-N 1 2 350.400 2.521 20 5 FFBDLO COc1ccc(NC(=O)CC[N@@H+](C)Cc2cscn2)c([N+](=O)[O-])c1 ZINC000063591365 507748272 /nfs/dbraw/zinc/74/82/72/507748272.db2.gz JMGCULXRNMFDJX-UHFFFAOYSA-N 1 2 350.400 2.521 20 5 FFBDLO Cc1cccc(C)c1OCCNC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000052589808 507814931 /nfs/dbraw/zinc/81/49/31/507814931.db2.gz IFLNBNYJTXYXMB-UHFFFAOYSA-N 1 2 371.437 2.839 20 5 FFBDLO Cc1cccc(C)c1OCCNC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000052589808 507814932 /nfs/dbraw/zinc/81/49/32/507814932.db2.gz IFLNBNYJTXYXMB-UHFFFAOYSA-N 1 2 371.437 2.839 20 5 FFBDLO Cc1cccc(OCCCNC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000052589705 507815033 /nfs/dbraw/zinc/81/50/33/507815033.db2.gz ATIVJOVNLSVMCJ-UHFFFAOYSA-N 1 2 371.437 2.920 20 5 FFBDLO Cc1cccc(OCCCNC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000052589705 507815035 /nfs/dbraw/zinc/81/50/35/507815035.db2.gz ATIVJOVNLSVMCJ-UHFFFAOYSA-N 1 2 371.437 2.920 20 5 FFBDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@H]1C ZINC000072873560 507868017 /nfs/dbraw/zinc/86/80/17/507868017.db2.gz FTJATOZWVLECPC-AOOOYVTPSA-N 1 2 356.220 2.884 20 5 FFBDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@H]1C ZINC000072873560 507868019 /nfs/dbraw/zinc/86/80/19/507868019.db2.gz FTJATOZWVLECPC-AOOOYVTPSA-N 1 2 356.220 2.884 20 5 FFBDLO CO[C@@]1(C)C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1(C)C ZINC000073256993 507908601 /nfs/dbraw/zinc/90/86/01/507908601.db2.gz GSDWKGZEOAABKK-YJBOKZPZSA-N 1 2 358.398 2.714 20 5 FFBDLO COc1ccc2c(c1)C[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000108977230 507929308 /nfs/dbraw/zinc/92/93/08/507929308.db2.gz WJUKWZXJOMWLSM-UHFFFAOYSA-N 1 2 355.394 2.625 20 5 FFBDLO COc1ccc2c(c1)C[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000108977230 507929312 /nfs/dbraw/zinc/92/93/12/507929312.db2.gz WJUKWZXJOMWLSM-UHFFFAOYSA-N 1 2 355.394 2.625 20 5 FFBDLO CCC[C@](C)([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(=O)OC ZINC000109803326 507988547 /nfs/dbraw/zinc/98/85/47/507988547.db2.gz 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374.422 2.646 20 5 FFBDLO Cc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000265244151 509943492 /nfs/dbraw/zinc/94/34/92/509943492.db2.gz JDCWTYCYNYJTIF-HNNXBMFYSA-N 1 2 354.410 2.817 20 5 FFBDLO COC(=O)c1cnc(NCc2ccc(Cn3cc[nH+]c3)cc2)c([N+](=O)[O-])c1 ZINC000190168572 509981962 /nfs/dbraw/zinc/98/19/62/509981962.db2.gz VETRTMHUTFCHOW-UHFFFAOYSA-N 1 2 367.365 2.633 20 5 FFBDLO O=C(NCc1cccc([N+](=O)[O-])c1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000171186524 509993387 /nfs/dbraw/zinc/99/33/87/509993387.db2.gz OUXPEXJUIQEIND-UHFFFAOYSA-N 1 2 369.356 2.919 20 5 FFBDLO CS(=O)(=O)Nc1cccc2c1CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000193792309 510073369 /nfs/dbraw/zinc/07/33/69/510073369.db2.gz XMOOALVFCZUJMJ-UHFFFAOYSA-N 1 2 361.423 2.525 20 5 FFBDLO CS(=O)(=O)Nc1cccc2c1CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000193792309 510073374 /nfs/dbraw/zinc/07/33/74/510073374.db2.gz XMOOALVFCZUJMJ-UHFFFAOYSA-N 1 2 361.423 2.525 20 5 FFBDLO COc1ccc(NC(=O)[C@H](C)[NH+]2CC(C)(C)OC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000190552311 510201604 /nfs/dbraw/zinc/20/16/04/510201604.db2.gz LHLLUIHQWFZMBV-LBPRGKRZSA-N 1 2 365.430 2.820 20 5 FFBDLO COC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000184518324 510367217 /nfs/dbraw/zinc/36/72/17/510367217.db2.gz RQPQDAFZMAVVMZ-ZDUSSCGKSA-N 1 2 353.762 2.757 20 5 FFBDLO COC(=O)COc1ccc(C[N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000187738902 510410364 /nfs/dbraw/zinc/41/03/64/510410364.db2.gz PQKORXQEWZANNU-UHFFFAOYSA-N 1 2 362.357 2.918 20 5 FFBDLO COC(=O)COc1ccc(C[N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000187738902 510410367 /nfs/dbraw/zinc/41/03/67/510410367.db2.gz PQKORXQEWZANNU-UHFFFAOYSA-N 1 2 362.357 2.918 20 5 FFBDLO CCOc1ccc([N+](=O)[O-])cc1CN1CC[NH+](Cc2ccccn2)CC1 ZINC000175055095 510460874 /nfs/dbraw/zinc/46/08/74/510460874.db2.gz HJJWAFYTGXYEQC-UHFFFAOYSA-N 1 2 356.426 2.706 20 5 FFBDLO O=[N+]([O-])c1cc(F)c(NCc2ccc(N3CCOCC3)[nH+]c2)c(F)c1 ZINC000269638769 510493430 /nfs/dbraw/zinc/49/34/30/510493430.db2.gz NNYDTLWXXVFNBV-UHFFFAOYSA-N 1 2 350.325 2.717 20 5 FFBDLO CC(C)NC(=O)c1ccc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000269879971 510581532 /nfs/dbraw/zinc/58/15/32/510581532.db2.gz RRJFIZYCIRYFDI-OAHLLOKOSA-N 1 2 369.425 2.819 20 5 FFBDLO COC(=O)[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1C ZINC000188110099 510599157 /nfs/dbraw/zinc/59/91/57/510599157.db2.gz UUJHNJSXPVILJB-GWCFXTLKSA-N 1 2 358.341 2.827 20 5 FFBDLO COC(=O)[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1C ZINC000188110099 510599161 /nfs/dbraw/zinc/59/91/61/510599161.db2.gz UUJHNJSXPVILJB-GWCFXTLKSA-N 1 2 358.341 2.827 20 5 FFBDLO C[C@H](C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185140603 510707697 /nfs/dbraw/zinc/70/76/97/510707697.db2.gz OMXLEGHSJDMBOX-QWHCGFSZSA-N 1 2 358.373 2.628 20 5 FFBDLO Cc1c(Cl)cc(S(=O)(=O)N2CCOc3cc[nH+]cc32)cc1[N+](=O)[O-] ZINC000175666174 510721234 /nfs/dbraw/zinc/72/12/34/510721234.db2.gz BYORPLVDMKLIQS-UHFFFAOYSA-N 1 2 369.786 2.539 20 5 FFBDLO CC[N@H+](CC(=O)[O-])C1CC([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000263534902 510740906 /nfs/dbraw/zinc/74/09/06/510740906.db2.gz YPHBAVWWVYAOAT-UHFFFAOYSA-N 1 2 373.409 2.882 20 5 FFBDLO CC[N@@H+](CC(=O)[O-])C1CC([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000263534902 510740914 /nfs/dbraw/zinc/74/09/14/510740914.db2.gz YPHBAVWWVYAOAT-UHFFFAOYSA-N 1 2 373.409 2.882 20 5 FFBDLO Cc1ccc(CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)c(C)[nH+]1 ZINC000185248458 510771884 /nfs/dbraw/zinc/77/18/84/510771884.db2.gz IYGWNVIKJMSVGX-GOSISDBHSA-N 1 2 354.366 2.574 20 5 FFBDLO O=[N+]([O-])c1cncc(Br)c1N1CCC(n2cc[nH+]c2)CC1 ZINC000270351625 510772601 /nfs/dbraw/zinc/77/26/01/510772601.db2.gz HVAJOHHLACPKPL-UHFFFAOYSA-N 1 2 352.192 2.790 20 5 FFBDLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188454494 510773927 /nfs/dbraw/zinc/77/39/27/510773927.db2.gz MHHFERUZQLUEGQ-UHFFFAOYSA-N 1 2 364.361 2.684 20 5 FFBDLO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000195336244 510789558 /nfs/dbraw/zinc/78/95/58/510789558.db2.gz QTBMPOUOTHFOQN-CYBMUJFWSA-N 1 2 365.459 2.667 20 5 FFBDLO COC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000247153205 510845799 /nfs/dbraw/zinc/84/57/99/510845799.db2.gz YOJXPZKHTMDWPR-VXGBXAGGSA-N 1 2 355.822 2.934 20 5 FFBDLO COC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000247153205 510845800 /nfs/dbraw/zinc/84/58/00/510845800.db2.gz YOJXPZKHTMDWPR-VXGBXAGGSA-N 1 2 355.822 2.934 20 5 FFBDLO CC(C)(NC(=O)C1CC[NH+](CC(F)F)CC1)c1ccccc1[N+](=O)[O-] ZINC000293869435 510881129 /nfs/dbraw/zinc/88/11/29/510881129.db2.gz DWOAOIVVSQPCFC-UHFFFAOYSA-N 1 2 355.385 2.923 20 5 FFBDLO CCC(=O)c1ccc(N2CCC[C@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000282268854 510909497 /nfs/dbraw/zinc/90/94/97/510909497.db2.gz OMPDFHWIQFGZCE-OAHLLOKOSA-N 1 2 361.442 2.736 20 5 FFBDLO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1c(F)cncc1F ZINC000285526737 510942146 /nfs/dbraw/zinc/94/21/46/510942146.db2.gz PNGYIYHOVZZYLN-SECBINFHSA-N 1 2 351.309 2.985 20 5 FFBDLO CC(C)[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCO1 ZINC000294527016 511094254 /nfs/dbraw/zinc/09/42/54/511094254.db2.gz SMLZUJOQAGNVIA-QGZVFWFLSA-N 1 2 358.398 2.668 20 5 FFBDLO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCc3c[nH+]cn3C)cc2[N+](=O)[O-])C1 ZINC000291488688 511217629 /nfs/dbraw/zinc/21/76/29/511217629.db2.gz QVRBKWUCNYIACP-OKILXGFUSA-N 1 2 371.441 2.741 20 5 FFBDLO Cc1[nH]nc(C(=O)N2CCC(n3c(C)[nH+]c4ccccc43)CC2)c1[N+](=O)[O-] ZINC000279859547 511243440 /nfs/dbraw/zinc/24/34/40/511243440.db2.gz UWNRVTBGGZYULH-UHFFFAOYSA-N 1 2 368.397 2.762 20 5 FFBDLO Cc1n[nH]c(C(=O)N2CCC(n3c(C)[nH+]c4ccccc43)CC2)c1[N+](=O)[O-] ZINC000279859547 511243444 /nfs/dbraw/zinc/24/34/44/511243444.db2.gz UWNRVTBGGZYULH-UHFFFAOYSA-N 1 2 368.397 2.762 20 5 FFBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000295175845 511309319 /nfs/dbraw/zinc/30/93/19/511309319.db2.gz VAWMYMMTBLTJKL-ZDUSSCGKSA-N 1 2 373.837 2.566 20 5 FFBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000295175845 511309321 /nfs/dbraw/zinc/30/93/21/511309321.db2.gz VAWMYMMTBLTJKL-ZDUSSCGKSA-N 1 2 373.837 2.566 20 5 FFBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc([N+](=O)[O-])c(F)cc2N)c1C ZINC000283491762 511387927 /nfs/dbraw/zinc/38/79/27/511387927.db2.gz OCQNJVRFKZJOLJ-UHFFFAOYSA-N 1 2 362.361 2.609 20 5 FFBDLO O=[N+]([O-])c1cc2ccccc2nc1N1CCC([C@@H](O)c2[nH]cc[nH+]2)CC1 ZINC000365451370 511458067 /nfs/dbraw/zinc/45/80/67/511458067.db2.gz ODXKUWRRWGJXBE-MRXNPFEDSA-N 1 2 353.382 2.816 20 5 FFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCc2c(Cl)cc(F)cc2C1 ZINC000295630226 511466169 /nfs/dbraw/zinc/46/61/69/511466169.db2.gz FUJHNSOKEXDVON-UHFFFAOYSA-N 1 2 351.765 2.607 20 5 FFBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCc2c(Cl)cc(F)cc2C1 ZINC000295630226 511466171 /nfs/dbraw/zinc/46/61/71/511466171.db2.gz FUJHNSOKEXDVON-UHFFFAOYSA-N 1 2 351.765 2.607 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000296109972 511622808 /nfs/dbraw/zinc/62/28/08/511622808.db2.gz XSPPBSZFPWXOKW-HNNXBMFYSA-N 1 2 370.409 2.817 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000296109972 511622811 /nfs/dbraw/zinc/62/28/11/511622811.db2.gz XSPPBSZFPWXOKW-HNNXBMFYSA-N 1 2 370.409 2.817 20 5 FFBDLO C[S@@](=O)C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000284280363 511666712 /nfs/dbraw/zinc/66/67/12/511666712.db2.gz XXTOBWJHWPGWLX-SGANQWHYSA-N 1 2 363.395 2.712 20 5 FFBDLO Cn1c(-c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)ccc1[N+](=O)[O-] ZINC000349837704 511672075 /nfs/dbraw/zinc/67/20/75/511672075.db2.gz HOLZVKJPSOGWSW-OAHLLOKOSA-N 1 2 369.381 2.557 20 5 FFBDLO Cn1c(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)ccc1[N+](=O)[O-] ZINC000349837704 511672081 /nfs/dbraw/zinc/67/20/81/511672081.db2.gz HOLZVKJPSOGWSW-OAHLLOKOSA-N 1 2 369.381 2.557 20 5 FFBDLO Cc1ccc(-n2cc[nH+]c2)c(-c2nc(-c3c([N+](=O)[O-])ncn3C)no2)c1 ZINC000350245963 511755809 /nfs/dbraw/zinc/75/58/09/511755809.db2.gz FLVZZXKAZGSODX-UHFFFAOYSA-N 1 2 351.326 2.539 20 5 FFBDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000363926368 511855406 /nfs/dbraw/zinc/85/54/06/511855406.db2.gz VTZXUGSSVSBWRQ-QGZVFWFLSA-N 1 2 357.414 2.721 20 5 FFBDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000363926368 511855411 /nfs/dbraw/zinc/85/54/11/511855411.db2.gz VTZXUGSSVSBWRQ-QGZVFWFLSA-N 1 2 357.414 2.721 20 5 FFBDLO CCn1cc[nH+]c1[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000281777997 511963565 /nfs/dbraw/zinc/96/35/65/511963565.db2.gz UEXQBEHXKYYHPD-OAHLLOKOSA-N 1 2 364.427 2.727 20 5 FFBDLO COc1cc(NCc2cccnc2-n2cc[nH+]c2)c([N+](=O)[O-])cc1OC ZINC000378057265 512567610 /nfs/dbraw/zinc/56/76/10/512567610.db2.gz PVSIAGOONOARQU-UHFFFAOYSA-N 1 2 355.354 2.805 20 5 FFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000373935279 512580166 /nfs/dbraw/zinc/58/01/66/512580166.db2.gz CQVDFIBWRZWRPQ-ZIAGYGMSSA-N 1 2 355.398 2.591 20 5 FFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000373935279 512580171 /nfs/dbraw/zinc/58/01/71/512580171.db2.gz CQVDFIBWRZWRPQ-ZIAGYGMSSA-N 1 2 355.398 2.591 20 5 FFBDLO C[C@H]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000378114668 512597977 /nfs/dbraw/zinc/59/79/77/512597977.db2.gz UCDKKVGFALZDIS-YOEHRIQHSA-N 1 2 357.414 2.627 20 5 FFBDLO O=C(N[C@H]1CCCC12CCOCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000374302287 512754701 /nfs/dbraw/zinc/75/47/01/512754701.db2.gz MPZQPNUAKCFHSQ-KRWDZBQOSA-N 1 2 370.409 2.860 20 5 FFBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000374334317 512774901 /nfs/dbraw/zinc/77/49/01/512774901.db2.gz WYLDSHUWQCTGKA-AWEZNQCLSA-N 1 2 369.425 2.558 20 5 FFBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](Oc3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000376559511 512873899 /nfs/dbraw/zinc/87/38/99/512873899.db2.gz WNVPWLPUKDIDCY-GOEBONIOSA-N 1 2 370.409 2.779 20 5 FFBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](Oc3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000376559511 512873900 /nfs/dbraw/zinc/87/39/00/512873900.db2.gz WNVPWLPUKDIDCY-GOEBONIOSA-N 1 2 370.409 2.779 20 5 FFBDLO C[C@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000396349733 512941326 /nfs/dbraw/zinc/94/13/26/512941326.db2.gz DSNKZWCVRCZRMF-AWEZNQCLSA-N 1 2 355.394 2.647 20 5 FFBDLO C[C@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000396349733 512941330 /nfs/dbraw/zinc/94/13/30/512941330.db2.gz DSNKZWCVRCZRMF-AWEZNQCLSA-N 1 2 355.394 2.647 20 5 FFBDLO O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000370550416 512989776 /nfs/dbraw/zinc/98/97/76/512989776.db2.gz WABRGKBDPLSWMB-GJZGRUSLSA-N 1 2 367.833 2.621 20 5 FFBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000374881999 513053926 /nfs/dbraw/zinc/05/39/26/513053926.db2.gz VGOJGEPBUWLHMP-INIZCTEOSA-N 1 2 360.801 2.617 20 5 FFBDLO Cc1c(CNC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cccc1[N+](=O)[O-] ZINC000428978321 513237707 /nfs/dbraw/zinc/23/77/07/513237707.db2.gz OMSWUEGLNAVXJF-UHFFFAOYSA-N 1 2 357.414 2.778 20 5 FFBDLO CCN(C)C(=O)[C@@H](Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C ZINC000450674034 513299303 /nfs/dbraw/zinc/29/93/03/513299303.db2.gz LWDHJMDRLOWJIS-KRWDZBQOSA-N 1 2 371.441 2.697 20 5 FFBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000450787975 513342144 /nfs/dbraw/zinc/34/21/44/513342144.db2.gz GWQGOIYDNTYTOJ-SNVBAGLBSA-N 1 2 354.288 2.555 20 5 FFBDLO O=C(c1cc(O)ccc1[N+](=O)[O-])N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425000799 513361071 /nfs/dbraw/zinc/36/10/71/513361071.db2.gz BZXWBEXKYHXWBQ-HNAYVOBHSA-N 1 2 367.405 2.647 20 5 FFBDLO O=C(c1cc(O)ccc1[N+](=O)[O-])N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425000799 513361073 /nfs/dbraw/zinc/36/10/73/513361073.db2.gz BZXWBEXKYHXWBQ-HNAYVOBHSA-N 1 2 367.405 2.647 20 5 FFBDLO CCN1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C[C@H]1c1[nH]cc[nH+]1 ZINC000413262190 513554933 /nfs/dbraw/zinc/55/49/33/513554933.db2.gz GTOBFURGDCQZMM-INIZCTEOSA-N 1 2 352.398 2.749 20 5 FFBDLO COc1cc(C[NH2+]Cc2ccncc2OCC(F)F)c([N+](=O)[O-])cc1O ZINC000441375368 513555662 /nfs/dbraw/zinc/55/56/62/513555662.db2.gz IAVQSOFHXJQZOY-UHFFFAOYSA-N 1 2 369.324 2.638 20 5 FFBDLO CCOC[C@@H]1CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447802015 513573451 /nfs/dbraw/zinc/57/34/51/513573451.db2.gz GNPJJGWVERMUQW-QGZVFWFLSA-N 1 2 363.458 2.680 20 5 FFBDLO CC(C)(CO)CCCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447806380 513574634 /nfs/dbraw/zinc/57/46/34/513574634.db2.gz MPJXTTIJNMPGED-UHFFFAOYSA-N 1 2 351.447 2.638 20 5 FFBDLO O=c1cccc2n1C[C@H]1C[C@@H]2CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413317805 513588139 /nfs/dbraw/zinc/58/81/39/513588139.db2.gz RHUZDMOYSOZAGC-DZGCQCFKSA-N 1 2 362.389 2.928 20 5 FFBDLO C[C@H](O)C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000447840322 513593931 /nfs/dbraw/zinc/59/39/31/513593931.db2.gz RCZAIAVGFDHZKP-NWDGAFQWSA-N 1 2 355.822 2.812 20 5 FFBDLO C[C@H](O)C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000447840322 513593937 /nfs/dbraw/zinc/59/39/37/513593937.db2.gz RCZAIAVGFDHZKP-NWDGAFQWSA-N 1 2 355.822 2.812 20 5 FFBDLO C[C@H](O)[C@H]1CCN(c2cc(N[C@@H](C)c3ccc([N+](=O)[O-])cc3)[nH+]cn2)C1 ZINC000413339536 513602454 /nfs/dbraw/zinc/60/24/54/513602454.db2.gz YRJHTNRRGZUHAI-YDHLFZDLSA-N 1 2 357.414 2.765 20 5 FFBDLO C[C@H](O)[C@H]1CCN(c2cc(N[C@@H](C)c3ccc([N+](=O)[O-])cc3)nc[nH+]2)C1 ZINC000413339536 513602463 /nfs/dbraw/zinc/60/24/63/513602463.db2.gz YRJHTNRRGZUHAI-YDHLFZDLSA-N 1 2 357.414 2.765 20 5 FFBDLO Cc1cc(CNC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc(C)[nH+]1 ZINC000422202931 513636237 /nfs/dbraw/zinc/63/62/37/513636237.db2.gz HZUMHBMPDSZZDC-UHFFFAOYSA-N 1 2 356.382 2.579 20 5 FFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451284970 513651696 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FFBDLO O=c1[nH]ccc2c1C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC2 ZINC000426376899 513920559 /nfs/dbraw/zinc/92/05/59/513920559.db2.gz AMPKZXMMTKGCRW-UHFFFAOYSA-N 1 2 351.309 2.855 20 5 FFBDLO O=c1[nH]ccc2c1C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC2 ZINC000426376899 513920564 /nfs/dbraw/zinc/92/05/64/513920564.db2.gz AMPKZXMMTKGCRW-UHFFFAOYSA-N 1 2 351.309 2.855 20 5 FFBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(S(C)(=O)=O)s1 ZINC000414440628 514118354 /nfs/dbraw/zinc/11/83/54/514118354.db2.gz MYHHMUAYEKQGFG-UHFFFAOYSA-N 1 2 354.453 2.734 20 5 FFBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(S(C)(=O)=O)s1 ZINC000414440628 514118363 /nfs/dbraw/zinc/11/83/63/514118363.db2.gz MYHHMUAYEKQGFG-UHFFFAOYSA-N 1 2 354.453 2.734 20 5 FFBDLO O=C(NCCNc1cccc[nH+]1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444615548 514274119 /nfs/dbraw/zinc/27/41/19/514274119.db2.gz ADQOFLFNGHVXHB-UHFFFAOYSA-N 1 2 358.401 2.918 20 5 FFBDLO CCn1cccc(CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)c1=O ZINC000432839197 514298445 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514886698 /nfs/dbraw/zinc/88/66/98/514886698.db2.gz GCKQASXYHGUIKZ-UHFFFAOYSA-N 1 2 373.457 2.828 20 5 FFBDLO CCOC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000485218719 514962454 /nfs/dbraw/zinc/96/24/54/514962454.db2.gz ABQWIRROZKYUGR-KGLIPLIRSA-N 1 2 363.414 2.505 20 5 FFBDLO CCOC(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000485218719 514962466 /nfs/dbraw/zinc/96/24/66/514962466.db2.gz ABQWIRROZKYUGR-KGLIPLIRSA-N 1 2 363.414 2.505 20 5 FFBDLO CCN1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@@H]1c1[nH]cc[nH+]1 ZINC000480701326 515051007 /nfs/dbraw/zinc/05/10/07/515051007.db2.gz UQKKYKIEHSSFKH-GFCCVEGCSA-N 1 2 370.335 2.615 20 5 FFBDLO CCOC(=O)c1cc(N2CC[NH+](Cc3ccco3)CC2)ccc1[N+](=O)[O-] ZINC000467748151 515101362 /nfs/dbraw/zinc/10/13/62/515101362.db2.gz UJONMDCYOSJGJY-UHFFFAOYSA-N 1 2 359.382 2.687 20 5 FFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000456351535 515119905 /nfs/dbraw/zinc/11/99/05/515119905.db2.gz 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CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@@H](CO)CC(C)(C)C ZINC000456425966 515176044 /nfs/dbraw/zinc/17/60/44/515176044.db2.gz TYPHNXLAXTUHCF-CQSZACIVSA-N 1 2 360.414 2.650 20 5 FFBDLO C[C@H]1C[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000456430684 515180209 /nfs/dbraw/zinc/18/02/09/515180209.db2.gz SGTQENFPSPTNSA-GZMMTYOYSA-N 1 2 365.187 2.990 20 5 FFBDLO CCc1[nH]nc(C(=O)Nc2ccc(-n3c[nH+]c(C)c3C)cc2)c1[N+](=O)[O-] ZINC000462768746 515231928 /nfs/dbraw/zinc/23/19/28/515231928.db2.gz ZUFWBALGJQMVLH-UHFFFAOYSA-N 1 2 354.370 2.935 20 5 FFBDLO CNc1c(C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)cccc1[N+](=O)[O-] ZINC000462769763 515232016 /nfs/dbraw/zinc/23/20/16/515232016.db2.gz UTNZCDOZJFXXNR-UHFFFAOYSA-N 1 2 351.366 2.957 20 5 FFBDLO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000468245510 515279847 /nfs/dbraw/zinc/27/98/47/515279847.db2.gz PJJJFORBAZRSQN-LBPRGKRZSA-N 1 2 371.401 2.651 20 5 FFBDLO CNc1c(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cccc1[N+](=O)[O-] ZINC000462900446 515288963 /nfs/dbraw/zinc/28/89/63/515288963.db2.gz MKDBYPVRRSSQGL-UHFFFAOYSA-N 1 2 359.773 2.868 20 5 FFBDLO CNc1c(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)cccc1[N+](=O)[O-] ZINC000462924727 515301534 /nfs/dbraw/zinc/30/15/34/515301534.db2.gz GMZOWBWIYAVNSD-UHFFFAOYSA-N 1 2 369.425 2.952 20 5 FFBDLO COc1ccc(-c2ccc(C[N@H+]3CC(=O)N(C)[C@@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000504541555 515324285 /nfs/dbraw/zinc/32/42/85/515324285.db2.gz NAENUNMVPPXKPI-LBPRGKRZSA-N 1 2 359.382 2.526 20 5 FFBDLO COc1ccc(-c2ccc(C[N@@H+]3CC(=O)N(C)[C@@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000504541555 515324294 /nfs/dbraw/zinc/32/42/94/515324294.db2.gz NAENUNMVPPXKPI-LBPRGKRZSA-N 1 2 359.382 2.526 20 5 FFBDLO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C1CC[NH+](CC(F)F)CC1 ZINC000505181610 515468489 /nfs/dbraw/zinc/46/84/89/515468489.db2.gz AOSWSQZVAOXSOY-UHFFFAOYSA-N 1 2 361.776 2.842 20 5 FFBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000505572222 515590334 /nfs/dbraw/zinc/59/03/34/515590334.db2.gz IFQSENXLZYIUTP-OAHLLOKOSA-N 1 2 352.350 2.523 20 5 FFBDLO CC1(C)C[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCO1 ZINC000457174343 515705169 /nfs/dbraw/zinc/70/51/69/515705169.db2.gz CNANKMHLVRXHTN-CYBMUJFWSA-N 1 2 358.398 2.716 20 5 FFBDLO C[C@@H]1C[C@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000454782898 515739644 /nfs/dbraw/zinc/73/96/44/515739644.db2.gz UDCBBORTFFMGOO-MFKMUULPSA-N 1 2 363.805 2.992 20 5 FFBDLO COc1cc(C[N@H+](C)Cc2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1OC ZINC000506063302 515765113 /nfs/dbraw/zinc/76/51/13/515765113.db2.gz FNVCQYDIIORVPH-UHFFFAOYSA-N 1 2 360.366 2.973 20 5 FFBDLO COc1cc(C[N@@H+](C)Cc2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1OC ZINC000506063302 515765121 /nfs/dbraw/zinc/76/51/21/515765121.db2.gz FNVCQYDIIORVPH-UHFFFAOYSA-N 1 2 360.366 2.973 20 5 FFBDLO CC(C)c1nn(C)cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000482879779 515833358 /nfs/dbraw/zinc/83/33/58/515833358.db2.gz ZCGDQKYBNAEUDR-UHFFFAOYSA-N 1 2 354.370 2.890 20 5 FFBDLO CC(C)c1nnc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC000464744432 515943635 /nfs/dbraw/zinc/94/36/35/515943635.db2.gz JRWULNLCWCMSLL-UHFFFAOYSA-N 1 2 372.410 2.685 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000483349378 516045606 /nfs/dbraw/zinc/04/56/06/516045606.db2.gz YDJQGPFKWJHFAA-GOSISDBHSA-N 1 2 350.415 2.763 20 5 FFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000483349378 516045611 /nfs/dbraw/zinc/04/56/11/516045611.db2.gz YDJQGPFKWJHFAA-GOSISDBHSA-N 1 2 350.415 2.763 20 5 FFBDLO Cc1cn2cc(NC(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)ccc2[nH+]1 ZINC000465173815 516085352 /nfs/dbraw/zinc/08/53/52/516085352.db2.gz BVVZUVVKUHBRBT-UHFFFAOYSA-N 1 2 368.349 2.503 20 5 FFBDLO COC(=O)c1sccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000512023425 516120844 /nfs/dbraw/zinc/12/08/44/516120844.db2.gz KIGQUTOUJCMSAL-UHFFFAOYSA-N 1 2 372.362 2.881 20 5 FFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1Cc2ccccc2C[C@H]1C(N)=O ZINC000470170755 516160770 /nfs/dbraw/zinc/16/07/70/516160770.db2.gz ZWKDMLKTIZZXAX-JNMQVBFRSA-N 1 2 351.406 2.910 20 5 FFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1Cc2ccccc2C[C@H]1C(N)=O ZINC000470170755 516160778 /nfs/dbraw/zinc/16/07/78/516160778.db2.gz ZWKDMLKTIZZXAX-JNMQVBFRSA-N 1 2 351.406 2.910 20 5 FFBDLO O=C(Cc1cn2ccccc2[nH+]1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000479381146 516172448 /nfs/dbraw/zinc/17/24/48/516172448.db2.gz JNXKBORBYJRVCR-UHFFFAOYSA-N 1 2 358.785 2.797 20 5 FFBDLO CCC(CC)[C@@H](C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000543925721 516499835 /nfs/dbraw/zinc/49/98/35/516499835.db2.gz LVHLQDPWZVLQFA-KRWDZBQOSA-N 1 2 365.430 2.679 20 5 FFBDLO CCOc1cc(N2CC[NH+](Cc3conc3CC)CC2)ccc1[N+](=O)[O-] ZINC000513364915 516588932 /nfs/dbraw/zinc/58/89/32/516588932.db2.gz BWQURRAZMXOOGY-UHFFFAOYSA-N 1 2 360.414 2.866 20 5 FFBDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531882190 516691943 /nfs/dbraw/zinc/69/19/43/516691943.db2.gz IHXRFMZCPLYBJA-UHFFFAOYSA-N 1 2 351.366 2.507 20 5 FFBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000540951239 516795105 /nfs/dbraw/zinc/79/51/05/516795105.db2.gz CMYYKYWMWHBSGM-CYBMUJFWSA-N 1 2 367.471 2.547 20 5 FFBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000540951239 516795114 /nfs/dbraw/zinc/79/51/14/516795114.db2.gz CMYYKYWMWHBSGM-CYBMUJFWSA-N 1 2 367.471 2.547 20 5 FFBDLO CN(Cc1[nH]cc[nH+]1)C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000518886925 516809369 /nfs/dbraw/zinc/80/93/69/516809369.db2.gz BXKHZPONPFLJAS-UHFFFAOYSA-N 1 2 371.319 2.797 20 5 FFBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513991425 516824493 /nfs/dbraw/zinc/82/44/93/516824493.db2.gz GLQUMWXTCRCKSN-QGZVFWFLSA-N 1 2 359.813 2.964 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000544653837 516857205 /nfs/dbraw/zinc/85/72/05/516857205.db2.gz YFDQQVRJXWDXCV-ZDUSSCGKSA-N 1 2 364.427 2.851 20 5 FFBDLO Cn1cc[nH+]c1[C@H](NCc1cccc2c1OCO2)c1ccc([N+](=O)[O-])cc1 ZINC000552033181 517041018 /nfs/dbraw/zinc/04/10/18/517041018.db2.gz PKQQDFMPUAXATI-QGZVFWFLSA-N 1 2 366.377 2.936 20 5 FFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000525647647 517100982 /nfs/dbraw/zinc/10/09/82/517100982.db2.gz BSEFTPZPUMIQAK-SFHVURJKSA-N 1 2 350.378 2.777 20 5 FFBDLO O=C(NCCCCn1cc[nH+]c1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000545219983 517113042 /nfs/dbraw/zinc/11/30/42/517113042.db2.gz HBKQQYZSROPUBR-UHFFFAOYSA-N 1 2 351.794 2.724 20 5 FFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000548714241 517161846 /nfs/dbraw/zinc/16/18/46/517161846.db2.gz NSMAQZDNBXRSSJ-QGZVFWFLSA-N 1 2 369.425 2.888 20 5 FFBDLO Cc1nnc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000541683863 517171104 /nfs/dbraw/zinc/17/11/04/517171104.db2.gz BUCRQZYIAIPCCA-SFYZADRCSA-N 1 2 353.766 2.617 20 5 FFBDLO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000541914922 517290960 /nfs/dbraw/zinc/29/09/60/517290960.db2.gz QJPKHCMOGDOXPP-UHFFFAOYSA-N 1 2 366.324 2.939 20 5 FFBDLO CC(C)C[C@@H](C)[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000552560031 517307296 /nfs/dbraw/zinc/30/72/96/517307296.db2.gz CYWCUISNPSSIJW-CQSZACIVSA-N 1 2 369.487 2.555 20 5 FFBDLO CCCc1n[nH]c(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1[N+](=O)[O-] ZINC000542181975 517423780 /nfs/dbraw/zinc/42/37/80/517423780.db2.gz BHCSPXQOPQYEJQ-UHFFFAOYSA-N 1 2 374.445 2.800 20 5 FFBDLO CCCc1[nH]nc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1[N+](=O)[O-] ZINC000542181975 517423786 /nfs/dbraw/zinc/42/37/86/517423786.db2.gz BHCSPXQOPQYEJQ-UHFFFAOYSA-N 1 2 374.445 2.800 20 5 FFBDLO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ncn(-c3ccccc3)n2)n1 ZINC000559916157 517486256 /nfs/dbraw/zinc/48/62/56/517486256.db2.gz ROXCDLKWBYTJIW-CVEARBPZSA-N 1 2 367.413 2.646 20 5 FFBDLO NC(=O)c1cccc(NCc2[nH+]ccn2CCc2ccccc2)c1[N+](=O)[O-] ZINC000553110127 517528283 /nfs/dbraw/zinc/52/82/83/517528283.db2.gz PHHXBKVQXRHHFC-UHFFFAOYSA-N 1 2 365.393 2.745 20 5 FFBDLO CCOc1ccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1[N+](=O)[O-] ZINC000553296051 517629942 /nfs/dbraw/zinc/62/99/42/517629942.db2.gz GNIIANUHYSLIQH-UHFFFAOYSA-N 1 2 367.365 2.886 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCO[C@@]4(CCSC4)C3)co2)cc1 ZINC000516648437 517788716 /nfs/dbraw/zinc/78/87/16/517788716.db2.gz UTHSXQVPFHMKFL-KRWDZBQOSA-N 1 2 361.423 2.958 20 5 FFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCO[C@@]4(CCSC4)C3)co2)cc1 ZINC000516648437 517788724 /nfs/dbraw/zinc/78/87/24/517788724.db2.gz UTHSXQVPFHMKFL-KRWDZBQOSA-N 1 2 361.423 2.958 20 5 FFBDLO C[C@H]1COc2ccccc2C[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000542943620 517831319 /nfs/dbraw/zinc/83/13/19/517831319.db2.gz OTUPIKMOGVNUJQ-AWEZNQCLSA-N 1 2 367.405 2.767 20 5 FFBDLO C[C@H]1COc2ccccc2C[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000542943620 517831327 /nfs/dbraw/zinc/83/13/27/517831327.db2.gz OTUPIKMOGVNUJQ-AWEZNQCLSA-N 1 2 367.405 2.767 20 5 FFBDLO Cc1cccc(NCC[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)n1 ZINC000560543204 517884510 /nfs/dbraw/zinc/88/45/10/517884510.db2.gz HLOMDDUSZNRJJY-SFHVURJKSA-N 1 2 366.425 2.823 20 5 FFBDLO Cc1cc(NCc2nncn2C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000534497024 517915146 /nfs/dbraw/zinc/91/51/46/517915146.db2.gz QZFUNNIYGUMFTL-UHFFFAOYSA-N 1 2 353.386 2.567 20 5 FFBDLO CCOc1cc(N2CC[NH+](Cc3cncc(F)c3)CC2)ccc1[N+](=O)[O-] ZINC000553895706 517957870 /nfs/dbraw/zinc/95/78/70/517957870.db2.gz KIUKXEKFCFKURZ-UHFFFAOYSA-N 1 2 360.389 2.850 20 5 FFBDLO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C[NH+]1CCN(C)CC1)c1ccccc1 ZINC000522027873 517957985 /nfs/dbraw/zinc/95/79/85/517957985.db2.gz JNUPXUKFKPDORD-KRWDZBQOSA-N 1 2 372.473 2.520 20 5 FFBDLO COc1ccc(-c2ccc(C[NH2+][C@H](C)c3nncn3C)o2)c([N+](=O)[O-])c1 ZINC000539506103 518081682 /nfs/dbraw/zinc/08/16/82/518081682.db2.gz UENLOCHCIJIPHS-LLVKDONJSA-N 1 2 357.370 2.843 20 5 FFBDLO Cc1cc(N[C@H]2CCN(C(C)(C)C)C2=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000517364868 518129108 /nfs/dbraw/zinc/12/91/08/518129108.db2.gz ZHDJOIPXBASISY-HNNXBMFYSA-N 1 2 369.425 2.593 20 5 FFBDLO CNc1ccc(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)cc1[N+](=O)[O-] ZINC000535062014 518143007 /nfs/dbraw/zinc/14/30/07/518143007.db2.gz VIKYOIQTHYPNEM-UHFFFAOYSA-N 1 2 372.400 2.734 20 5 FFBDLO NC(=O)c1ccc(N2CC[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 ZINC000522782646 518162647 /nfs/dbraw/zinc/16/26/47/518162647.db2.gz FLNCJQLNHREVIV-UHFFFAOYSA-N 1 2 374.828 2.669 20 5 FFBDLO CCc1[nH+]c2cc(CNC(=O)c3cc([N+](=O)[O-])nn3C)ccc2n1C1CC1 ZINC000584184747 518218841 /nfs/dbraw/zinc/21/88/41/518218841.db2.gz DMDBKBDKSATDHL-UHFFFAOYSA-N 1 2 368.397 2.505 20 5 FFBDLO C[NH+](C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(Cl)cc1 ZINC000566925863 518269189 /nfs/dbraw/zinc/26/91/89/518269189.db2.gz JPERCLGJZKQAQF-CQSZACIVSA-N 1 2 363.801 2.987 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCc2cn3c(cccc3C)[nH+]2)c1 ZINC000576196525 518473936 /nfs/dbraw/zinc/47/39/36/518473936.db2.gz XNDHZDRYHTVTPL-UHFFFAOYSA-N 1 2 374.422 2.646 20 5 FFBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000588070207 518716123 /nfs/dbraw/zinc/71/61/23/518716123.db2.gz OTSCITNNZNOORT-WCQYABFASA-N 1 2 370.247 2.657 20 5 FFBDLO COC(=O)C[C@@H]1COCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000589205879 518951454 /nfs/dbraw/zinc/95/14/54/518951454.db2.gz UCCCZESSKCRJAW-OAHLLOKOSA-N 1 2 360.366 2.619 20 5 FFBDLO COC(=O)C[C@@H]1COCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000589205879 518951457 /nfs/dbraw/zinc/95/14/57/518951457.db2.gz UCCCZESSKCRJAW-OAHLLOKOSA-N 1 2 360.366 2.619 20 5 FFBDLO Cc1ccc(OC[C@H](O)C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c(C)c1 ZINC000589303907 518977139 /nfs/dbraw/zinc/97/71/39/518977139.db2.gz DRPXDYMFRNOEPR-GOSISDBHSA-N 1 2 372.421 2.846 20 5 FFBDLO Cc1ccc(OC[C@H](O)C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c(C)c1 ZINC000589303907 518977148 /nfs/dbraw/zinc/97/71/48/518977148.db2.gz DRPXDYMFRNOEPR-GOSISDBHSA-N 1 2 372.421 2.846 20 5 FFBDLO NC(=O)c1cccc(N2CC[NH+](Cc3ccccc3Cl)CC2)c1[N+](=O)[O-] ZINC000580109647 519011708 /nfs/dbraw/zinc/01/17/08/519011708.db2.gz JLEQJGUYYNWPSK-UHFFFAOYSA-N 1 2 374.828 2.669 20 5 FFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000589494634 519016778 /nfs/dbraw/zinc/01/67/78/519016778.db2.gz UOPUZLVKJUUXNQ-UHFFFAOYSA-N 1 2 355.394 2.704 20 5 FFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000583534629 519296813 /nfs/dbraw/zinc/29/68/13/519296813.db2.gz WRDAVJKCPLMWQZ-COXVUDFISA-N 1 2 359.426 2.955 20 5 FFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000583534629 519296816 /nfs/dbraw/zinc/29/68/16/519296816.db2.gz WRDAVJKCPLMWQZ-COXVUDFISA-N 1 2 359.426 2.955 20 5 FFBDLO COc1cccc2c1cc[nH+]c2N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000590685539 519316074 /nfs/dbraw/zinc/31/60/74/519316074.db2.gz QGIGKPVWVRKEPD-UHFFFAOYSA-N 1 2 365.393 2.873 20 5 FFBDLO O=[N+]([O-])c1cc2c(nc1NCc1cc[nH+]c(N3CCOCC3)c1)CCCC2 ZINC000566149085 519335134 /nfs/dbraw/zinc/33/51/34/519335134.db2.gz KXJFWJAWJQORKK-UHFFFAOYSA-N 1 2 369.425 2.712 20 5 FFBDLO NC(=O)c1ccnc(Nc2ccc(Nc3ccccc3)[nH+]c2)c1[N+](=O)[O-] ZINC000578183144 519460965 /nfs/dbraw/zinc/46/09/65/519460965.db2.gz PSCCCAASDOEFKL-UHFFFAOYSA-N 1 2 350.338 2.971 20 5 FFBDLO Cc1ccc(CN(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)nc1 ZINC000616171939 519930404 /nfs/dbraw/zinc/93/04/04/519930404.db2.gz LQOQLIMGSLSBEV-UHFFFAOYSA-N 1 2 351.366 2.756 20 5 FFBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1ccn(-c3cccc(F)c3)n1)CC2 ZINC000612469085 519976275 /nfs/dbraw/zinc/97/62/75/519976275.db2.gz ICTKUYYGMMGWFG-UHFFFAOYSA-N 1 2 353.357 2.873 20 5 FFBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1ccn(-c3cccc(F)c3)n1)CC2 ZINC000612469085 519976286 /nfs/dbraw/zinc/97/62/86/519976286.db2.gz ICTKUYYGMMGWFG-UHFFFAOYSA-N 1 2 353.357 2.873 20 5 FFBDLO C[C@H](C(=O)NCC[NH+]1Cc2ccccc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000612482609 519986008 /nfs/dbraw/zinc/98/60/08/519986008.db2.gz WYGLHZBTUUREPX-ZDUSSCGKSA-N 1 2 357.385 2.969 20 5 FFBDLO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1nnnn1-c1ccccc1 ZINC000594496245 520003534 /nfs/dbraw/zinc/00/35/34/520003534.db2.gz XZZUKGSKSJWOHB-BLLLJJGKSA-N 1 2 350.382 2.909 20 5 FFBDLO CC[C@]1(O)CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000602983254 520005873 /nfs/dbraw/zinc/00/58/73/520005873.db2.gz GHHPQWOTXLZJQV-ZBEGNZNMSA-N 1 2 355.822 2.812 20 5 FFBDLO CC[C@]1(O)CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000602983254 520005881 /nfs/dbraw/zinc/00/58/81/520005881.db2.gz GHHPQWOTXLZJQV-ZBEGNZNMSA-N 1 2 355.822 2.812 20 5 FFBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cc1C ZINC000608908927 520160976 /nfs/dbraw/zinc/16/09/76/520160976.db2.gz CCERTQAGKDLQDY-UHFFFAOYSA-N 1 2 373.394 2.593 20 5 FFBDLO C[C@H]1c2ccccc2OCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000609145416 520206955 /nfs/dbraw/zinc/20/69/55/520206955.db2.gz BGCPTAXEPZXNHN-AWEZNQCLSA-N 1 2 367.405 2.940 20 5 FFBDLO C[C@H]1c2ccccc2OCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000609145416 520206958 /nfs/dbraw/zinc/20/69/58/520206958.db2.gz BGCPTAXEPZXNHN-AWEZNQCLSA-N 1 2 367.405 2.940 20 5 FFBDLO Nc1cc(NCc2ccc(N3CCCCC3)[nH+]c2)cc(CO)c1[N+](=O)[O-] ZINC000613073652 520302184 /nfs/dbraw/zinc/30/21/84/520302184.db2.gz ZKJUKYSAASZPNS-UHFFFAOYSA-N 1 2 357.414 2.667 20 5 FFBDLO C[C@H](NC(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC000603682758 520341423 /nfs/dbraw/zinc/34/14/23/520341423.db2.gz UYDIOIOAJJYCIH-INIZCTEOSA-N 1 2 368.437 2.594 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000603834115 520370477 /nfs/dbraw/zinc/37/04/77/520370477.db2.gz IAMLNIGVLCCVTE-HNNXBMFYSA-N 1 2 369.425 2.820 20 5 FFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000603834115 520370481 /nfs/dbraw/zinc/37/04/81/520370481.db2.gz IAMLNIGVLCCVTE-HNNXBMFYSA-N 1 2 369.425 2.820 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000603833980 520371514 /nfs/dbraw/zinc/37/15/14/520371514.db2.gz BNVBDPIWGKVNBW-HNNXBMFYSA-N 1 2 369.425 2.820 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000603833980 520371525 /nfs/dbraw/zinc/37/15/25/520371525.db2.gz BNVBDPIWGKVNBW-HNNXBMFYSA-N 1 2 369.425 2.820 20 5 FFBDLO CO[C@@H](C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)C1CCCC1 ZINC000595297303 520391577 /nfs/dbraw/zinc/39/15/77/520391577.db2.gz LNZBHCIYSJEBCE-AWEZNQCLSA-N 1 2 367.471 2.619 20 5 FFBDLO C[C@@](CO)([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 ZINC000609806743 520440161 /nfs/dbraw/zinc/44/01/61/520440161.db2.gz JRTZGORGTXQLNO-SFHVURJKSA-N 1 2 354.366 2.642 20 5 FFBDLO Cc1noc(C[N@@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)c1[N+](=O)[O-] ZINC000595409833 520451041 /nfs/dbraw/zinc/45/10/41/520451041.db2.gz JFFCVWBOGSQBME-LLVKDONJSA-N 1 2 372.303 2.958 20 5 FFBDLO Cc1noc(C[N@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)c1[N+](=O)[O-] ZINC000595409833 520451047 /nfs/dbraw/zinc/45/10/47/520451047.db2.gz JFFCVWBOGSQBME-LLVKDONJSA-N 1 2 372.303 2.958 20 5 FFBDLO COCCOc1ccc([C@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])cc1OC ZINC000595410092 520451328 /nfs/dbraw/zinc/45/13/28/520451328.db2.gz AYLCICGGAYDORN-NSHDSACASA-N 1 2 365.386 2.776 20 5 FFBDLO C[C@@H](c1nccs1)[NH+]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000613333156 520452769 /nfs/dbraw/zinc/45/27/69/520452769.db2.gz PCHBYCKPLCRCRJ-LBPRGKRZSA-N 1 2 370.438 2.878 20 5 FFBDLO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3onc(C)c3[N+](=O)[O-])ccc2NC1=O ZINC000595419066 520457887 /nfs/dbraw/zinc/45/78/87/520457887.db2.gz WYBBRTCREXGROL-NOZJJQNGSA-N 1 2 360.370 2.852 20 5 FFBDLO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000598195830 520486628 /nfs/dbraw/zinc/48/66/28/520486628.db2.gz UHBXDUMVTXMFPS-INIZCTEOSA-N 1 2 369.421 2.689 20 5 FFBDLO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000598195830 520486635 /nfs/dbraw/zinc/48/66/35/520486635.db2.gz UHBXDUMVTXMFPS-INIZCTEOSA-N 1 2 369.421 2.689 20 5 FFBDLO CCOC(=O)C1(COC)CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595467214 520490119 /nfs/dbraw/zinc/49/01/19/520490119.db2.gz QGHRUNQODQMYPK-UHFFFAOYSA-N 1 2 354.378 2.526 20 5 FFBDLO Cc1ccn2cc(CNc3c([N+](=O)[O-])c(C(F)(F)F)nn3C)[nH+]c2c1 ZINC000601106671 520638677 /nfs/dbraw/zinc/63/86/77/520638677.db2.gz UPTBEFNIQDLFAW-UHFFFAOYSA-N 1 2 354.292 2.915 20 5 FFBDLO CSCc1cnc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)s1 ZINC000601148896 520658933 /nfs/dbraw/zinc/65/89/33/520658933.db2.gz HJPJXTKIAARFSY-HNNXBMFYSA-N 1 2 353.469 2.912 20 5 FFBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601179467 520675126 /nfs/dbraw/zinc/67/51/26/520675126.db2.gz WAQIOMUSHUWBRK-CYBMUJFWSA-N 1 2 358.373 2.648 20 5 FFBDLO COc1ccc([N+](=O)[O-])c(C(=O)NCCc2cn3cccc(C)c3[nH+]2)c1 ZINC000610434665 520681694 /nfs/dbraw/zinc/68/16/94/520681694.db2.gz FYYDKGYURVZGLW-UHFFFAOYSA-N 1 2 354.366 2.532 20 5 FFBDLO COc1ccc2c(c1)CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C2 ZINC000595760074 520703100 /nfs/dbraw/zinc/70/31/00/520703100.db2.gz QXSWAGQUQULJFX-UHFFFAOYSA-N 1 2 371.393 2.609 20 5 FFBDLO COc1ccc2c(c1)CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C2 ZINC000595760074 520703106 /nfs/dbraw/zinc/70/31/06/520703106.db2.gz QXSWAGQUQULJFX-UHFFFAOYSA-N 1 2 371.393 2.609 20 5 FFBDLO COc1ccc2c(c1)CC[N@H+]([C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000595758822 520704505 /nfs/dbraw/zinc/70/45/05/520704505.db2.gz HTIOSFYLACGVKC-LJQANCHMSA-N 1 2 367.405 2.767 20 5 FFBDLO COc1ccc2c(c1)CC[N@@H+]([C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000595758822 520704511 /nfs/dbraw/zinc/70/45/11/520704511.db2.gz HTIOSFYLACGVKC-LJQANCHMSA-N 1 2 367.405 2.767 20 5 FFBDLO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1c1ncc([N+](=O)[O-])cc1Br ZINC000610512522 520722633 /nfs/dbraw/zinc/72/26/33/520722633.db2.gz CUPXYWUDILNMID-QWRGUYRKSA-N 1 2 355.236 2.815 20 5 FFBDLO C[C@H]1C[N@H+]2CCCC[C@H]2CN1c1ncc([N+](=O)[O-])cc1Br ZINC000610512522 520722638 /nfs/dbraw/zinc/72/26/38/520722638.db2.gz CUPXYWUDILNMID-QWRGUYRKSA-N 1 2 355.236 2.815 20 5 FFBDLO C[C@H](CO)C1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000593084907 520733590 /nfs/dbraw/zinc/73/35/90/520733590.db2.gz RVXSAWPKKYELTO-LLVKDONJSA-N 1 2 355.822 2.527 20 5 FFBDLO C[C@H](CO)C1CC[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000593085310 520733686 /nfs/dbraw/zinc/73/36/86/520733686.db2.gz UOHQDTLOLMZFQZ-LLVKDONJSA-N 1 2 355.822 2.527 20 5 FFBDLO O=C(CC[N@@H+]1CCO[C@@H](CC(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000595888220 520795250 /nfs/dbraw/zinc/79/52/50/520795250.db2.gz WJEYDDZWLWKKRE-NSHDSACASA-N 1 2 361.320 2.577 20 5 FFBDLO O=C(CC[N@H+]1CCO[C@@H](CC(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000595888220 520795256 /nfs/dbraw/zinc/79/52/56/520795256.db2.gz WJEYDDZWLWKKRE-NSHDSACASA-N 1 2 361.320 2.577 20 5 FFBDLO NC(=O)c1cc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)ccc1[N+](=O)[O-] ZINC000596057471 520883703 /nfs/dbraw/zinc/88/37/03/520883703.db2.gz SEWDETOHOWXLPO-UHFFFAOYSA-N 1 2 374.828 2.669 20 5 FFBDLO O=C(NCC1CC1)[C@@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599025405 520988626 /nfs/dbraw/zinc/98/86/26/520988626.db2.gz MAZOEZYEZCKVRT-OAHLLOKOSA-N 1 2 354.410 2.886 20 5 FFBDLO O=[N+]([O-])c1cnc2ccccc2c1NCC1CC[NH+](CC(F)F)CC1 ZINC000596238755 520988775 /nfs/dbraw/zinc/98/87/75/520988775.db2.gz JCBQVYXJSRLEMY-UHFFFAOYSA-N 1 2 350.369 2.954 20 5 FFBDLO Cc1[nH+]c2cc(OCC(=O)N3CCc4ccc([N+](=O)[O-])cc43)ccc2n1C ZINC000596285047 521008838 /nfs/dbraw/zinc/00/88/38/521008838.db2.gz HUCCYWNTAQXPHY-UHFFFAOYSA-N 1 2 366.377 2.758 20 5 FFBDLO Nc1nccc([C@@H]2CCCN(c3ccc4c[nH+]ccc4c3[N+](=O)[O-])C2)n1 ZINC000599072465 521014069 /nfs/dbraw/zinc/01/40/69/521014069.db2.gz FFXRHPDYHJTJPH-CYBMUJFWSA-N 1 2 350.382 2.730 20 5 FFBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+]2C2CCCCC2)s1 ZINC000599128307 521044416 /nfs/dbraw/zinc/04/44/16/521044416.db2.gz WGQSMAUCNVCIJC-LBPRGKRZSA-N 1 2 373.500 2.879 20 5 FFBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(NC[C@@H]2CC[N@H+]2C2CCCCC2)s1 ZINC000599128307 521044423 /nfs/dbraw/zinc/04/44/23/521044423.db2.gz WGQSMAUCNVCIJC-LBPRGKRZSA-N 1 2 373.500 2.879 20 5 FFBDLO Cc1cc(N2CC[C@H](O)C(F)(F)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596431028 521068177 /nfs/dbraw/zinc/06/81/77/521068177.db2.gz VLDJKGGPPDMXOC-ZDUSSCGKSA-N 1 2 350.325 2.567 20 5 FFBDLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000602046762 521100462 /nfs/dbraw/zinc/10/04/62/521100462.db2.gz NRFJFYVSAZIQGB-CYBMUJFWSA-N 1 2 354.288 2.874 20 5 FFBDLO O=C(C1CCCCC1)N1CC[NH+](CCNc2sccc2[N+](=O)[O-])CC1 ZINC000611412002 521142410 /nfs/dbraw/zinc/14/24/10/521142410.db2.gz NTEWJJYCNAYUDS-UHFFFAOYSA-N 1 2 366.487 2.793 20 5 FFBDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H](C)O1 ZINC000593679230 521150737 /nfs/dbraw/zinc/15/07/37/521150737.db2.gz UFCBFKANSDYHAE-SJCJKPOMSA-N 1 2 360.366 2.617 20 5 FFBDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H](C)O1 ZINC000593679230 521150747 /nfs/dbraw/zinc/15/07/47/521150747.db2.gz UFCBFKANSDYHAE-SJCJKPOMSA-N 1 2 360.366 2.617 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596599358 521156682 /nfs/dbraw/zinc/15/66/82/521156682.db2.gz VELZACYAKOZAKV-UHFFFAOYSA-N 1 2 371.441 2.660 20 5 FFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596599358 521156691 /nfs/dbraw/zinc/15/66/91/521156691.db2.gz VELZACYAKOZAKV-UHFFFAOYSA-N 1 2 371.441 2.660 20 5 FFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@H]1C(F)(F)F ZINC000602390895 521316247 /nfs/dbraw/zinc/31/62/47/521316247.db2.gz PCJPZRYFKWHDAR-ZDUSSCGKSA-N 1 2 354.288 2.947 20 5 FFBDLO COC(=O)[C@](C)(NCc1cn2c(cccc2C)[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000599644882 521357295 /nfs/dbraw/zinc/35/72/95/521357295.db2.gz XMXDWMDOEUSVEO-LJQANCHMSA-N 1 2 368.393 2.729 20 5 FFBDLO O=C(N[C@@H](C1CC1)[C@H]1CCCCO1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000594071104 521388587 /nfs/dbraw/zinc/38/85/87/521388587.db2.gz XIRAKVNLMJUZMV-MSOLQXFVSA-N 1 2 370.409 2.858 20 5 FFBDLO COC(=O)C1C[C@H](C)[NH+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000599694924 521407875 /nfs/dbraw/zinc/40/78/75/521407875.db2.gz JAYZOKYJVVFCNI-QWRGUYRKSA-N 1 2 354.378 2.905 20 5 FFBDLO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H](C)C1 ZINC000599705051 521417242 /nfs/dbraw/zinc/41/72/42/521417242.db2.gz GOZMYXBCJMGLNS-DABQJJPHSA-N 1 2 374.397 2.807 20 5 FFBDLO COC(=O)[C@@H]1C[C@@H](C)[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H](C)C1 ZINC000599705051 521417248 /nfs/dbraw/zinc/41/72/48/521417248.db2.gz GOZMYXBCJMGLNS-DABQJJPHSA-N 1 2 374.397 2.807 20 5 FFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCC1(CO)CCCCC1 ZINC000619154484 521422156 /nfs/dbraw/zinc/42/21/56/521422156.db2.gz KFTSQCYUXKQGRG-UHFFFAOYSA-N 1 2 363.458 2.782 20 5 FFBDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)CC2 ZINC000599724663 521430019 /nfs/dbraw/zinc/43/00/19/521430019.db2.gz MVSKAYUHTDKMNB-HNNXBMFYSA-N 1 2 354.410 2.853 20 5 FFBDLO Cn1cc(C[N@H+](C)Cc2ccc(OCC(F)(F)F)cc2)c([N+](=O)[O-])n1 ZINC000602650391 521456731 /nfs/dbraw/zinc/45/67/31/521456731.db2.gz LBZKZVYWYHWPKD-UHFFFAOYSA-N 1 2 358.320 2.901 20 5 FFBDLO Cn1cc(C[N@@H+](C)Cc2ccc(OCC(F)(F)F)cc2)c([N+](=O)[O-])n1 ZINC000602650391 521456741 /nfs/dbraw/zinc/45/67/41/521456741.db2.gz LBZKZVYWYHWPKD-UHFFFAOYSA-N 1 2 358.320 2.901 20 5 FFBDLO C[C@H]1C[C@H](NC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)c2[nH+]ccn21 ZINC000597090592 521495801 /nfs/dbraw/zinc/49/58/01/521495801.db2.gz OHMXJUWBEDCAMW-XVKPBYJWSA-N 1 2 350.766 2.854 20 5 FFBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597102238 521507863 /nfs/dbraw/zinc/50/78/63/521507863.db2.gz VXUNNRJEUOKYLP-SECBINFHSA-N 1 2 364.793 2.585 20 5 FFBDLO O=C(Nc1ccc2[nH+]ccn2c1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000615835779 521551295 /nfs/dbraw/zinc/55/12/95/521551295.db2.gz JYYBQMIHFKSHOZ-UHFFFAOYSA-N 1 2 353.338 2.538 20 5 FFBDLO COC(=O)[C@@H](COC(C)C)[N@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000615834590 521552085 /nfs/dbraw/zinc/55/20/85/521552085.db2.gz WNBLPWKQEWXUJS-RKCSUWQLSA-N 1 2 350.415 2.897 20 5 FFBDLO COC(=O)[C@@H](COC(C)C)[N@@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000615834590 521552095 /nfs/dbraw/zinc/55/20/95/521552095.db2.gz WNBLPWKQEWXUJS-RKCSUWQLSA-N 1 2 350.415 2.897 20 5 FFBDLO O=[N+]([O-])c1ccc(NCc2ccccc2-n2cc[nH+]c2)c(-c2nn[nH]n2)c1 ZINC000826498760 608383499 /nfs/dbraw/zinc/38/34/99/608383499.db2.gz IRABNAHESAVUOS-UHFFFAOYSA-N 1 2 362.353 2.573 20 5 FFBDLO