0 B31R4.71939350 CC(Nc1cc(nc2c1cccc2)c3ccccc3)c4cccc(c4)[N+](=O)[O-] 27a_100000741830_200016987766 [0,0,0,0,0,0|2,0,1]=3 1 B31R4.71939350 CC(Nc1nc(nc2c1cccc2)c3ccccc3)c4cccc(c4)[N+](=O)[O-] 27a_100000741830_100000261305 [0,0,0,0,0,0|1,0,1]=2 2 B30R4.46627391 NC(=O)c1cccc(c1)CNc2nc(nc3c2cccc3)c4ccccc4 27a_100000746036_100000261305 [1,0,0,0,0,0|2,0,1]=4 3 B30R4.46627391 O=[N+]([O-])c1cccc(c1)CNc2cc(nc3c2cccc3)c4ccccc4 27a_100000755791_200016987766 [1,0,0,0,0,0|1,0,1]=3 4 B30R4.46627391 O=[N+]([O-])c1cccc(c1)CNc2nc(nc3c2cccc3)c4ccccc4 27a_100000755791_100000261305 [1,0,0,0,0,0|0,0,1]=2 5 B30R4.46627391 O=[N+]([O-])c1cccc(c1)CSc2nc(nc3c2cccc3)c4ccccc4 62a_100000187168_100000261305 [1,0,0,0,0,0|1,0,1]=3 6 B30R4.46627391 O=[N+]([O-])c1cccc(c1)CSc2nc(nc3c2cccc3)c4ccccc4 62a_100000261305_100000737091 [1,0,0,0,0,0|1,0,1]=3 7 B30R4.46627391 O=[N+]([O-])c1ccnc(c1)CSc2nc(nc3c2cccc3)c4ccccc4 62a_100000261305_100010177786 [1,0,0,0,0,0|2,0,1]=4 8 B30R4.46627391 O=[N+]([O-])c1ccnc(c1)CSc2nc(nc3c2cccc3)c4ccccc4 62a_100010177786_100000261305 [1,0,0,0,0,0|2,0,1]=4 9 B32R4.716629745 CC(c1cccc(c1)[N+](=O)[O-])N(C)c2nc(nc3c2cccc3)c4ccccc4 27a_100000704473_100000261305 [0,1,0,0,0,0|1,0,1]=3 10 B30R4.46643880 CC(Nc1nc(nc2c1cccc2)c3cccs3)c4cccc(c4)[N+](=O)[O-] 27a_100000741830_100000184998 [0,0,0,0,1,0|2,0,1]=4 11 B30R4.247231297 CN(c1cccc(c1)[N+](=O)[O-])c2cc(nc3c2cccc3)c4ccccc4 27a_102515432896_200016987766 [0,0,0,0,1,0|3,0,0]=4 12 B30R4.247231297 CN(c1cccc(c1)[N+](=O)[O-])c2nc(nc3c2cccc3)c4ccccc4 27a_102515432896_100000261305 [0,0,0,0,1,0|2,0,0]=3 13 B32R4.63497451 O=C(COc1cc(cc2c1cccc2)c3ccccc3)c4cccc(c4)[N+](=O)[O-] 34a_100103168541_100000211440 [0,0,0,0,0,1|3,0,0]=4 14 B32R4.63497451 O=C(COc1cc(cc2c1cccc2)c3ccccc3)c4cccc(c4)[N+](=O)[O-] 7a_100103168541_100000211440 [0,0,0,0,0,1|3,0,0]=4 15 B32R4.63497451 O=C(NN=C1CC(Nc2c1cccc2)c3ccccc3)c4cccc(c4)[N+](=O)[O-] 4a_100000184050_200016987364 [0,0,0,0,0,1|1,0,2]=4 16 B32R4.63497451 O=C(NN=C1CC(Oc2c1cccc2)c3ccccc3)c4cccc(c4)[N+](=O)[O-] 4a_100000184050_100000261366 [0,0,0,0,0,1|2,0,1]=4 17 B32R4.63497451 O=[N+]([O-])c1cccc(c1)C(O)CNc2cc(nc3c2cccc3)c4ccccc4 27a_100025716288_200016987766 [0,0,0,0,0,1|1,0,2]=4 18 B32R4.63497451 O=[N+]([O-])c1cccc(c1)C(O)CNc2nc(nc3c2cccc3)c4ccccc4 27a_100025716288_100000261305 [0,0,0,0,0,1|0,0,2]=3 19 B31R4.94162612 O=[N+]([O-])c1cc(ccc1F)CSc2nc(nc3c2cccc3)c4ccccc4 62a_100009816672_100000261305 [1,1,0,0,0,0|1,0,1]=4 20 B31R4.95523117 O=[N+]([O-])c1ccc(c(c1)CNc2cc(nc3c2cccc3)c4ccccc4)F 27a_200016989751_200016987766 [1,1,0,0,0,0|1,0,1]=4 21 B31R4.95523117 O=[N+]([O-])c1ccc(c(c1)CNc2nc(nc3c2cccc3)c4ccccc4)F 27a_200016989751_100000261305 [1,1,0,0,0,0|0,0,1]=3 22 B31R4.215994336 O=[N+]([O-])c1cc(cc(c1)CSc2nc(nc3c2cccc3)c4ccccc4)F 62a_100000261305_100012145706 [1,1,0,0,0,0|1,0,1]=4 23 B31R4.240985676 Cc1c(cccc1[N+](=O)[O-])CSc2nc(nc3c2cccc3)c4ccccc4 62a_100000261305_100000740638 [1,1,0,0,0,0|1,0,1]=4 24 B31R4.240985676 O=[N+]([O-])c1cccc(c1F)CSc2nc(nc3c2cccc3)c4ccccc4 62a_100012360031_100000261305 [1,1,0,0,0,0|1,0,1]=4 25 B31R4.372654616 CN(Cc1cccc(c1)[N+](=O)[O-])c2cc(nc3c2cccc3)c4ccccc4 27a_100000738247_200016987766 [1,1,0,0,0,0|1,0,1]=4 26 B31R4.372654616 CN(Cc1cccc(c1)[N+](=O)[O-])c2nc(nc3c2cccc3)c4ccccc4 27a_100000738247_100000261305 [1,1,0,0,0,0|0,0,1]=3 27 B31R4.453641084 CN(c1cc(ccc1F)[N+](=O)[O-])c2nc(nc3c2cccc3)c4ccccc4 27a_100011806208_100000261305 [0,1,0,0,1,0|2,0,0]=4 28 B33R5.82848218 O=[N+]([O-])c1ccc2c(c1)CC(C2)Nc3nc(nc4c3cccc4)c5ccccc5 27a_100016994959_100000261305 [0,0,0,1,0,1|1,0,1]=4 29 B29R3.7187048 O=C(Nc1ccccc1NC(=O)c2cccc(c2)[N+](=O)[O-])c3ccccc3 11a_200000287447_100000185806 [0,0,1,0,1,0|1,0,1]=4 30 B29R3.7187048 O=C(Nc1ccccc1NC(=O)c2cccc(c2)[N+](=O)[O-])c3ccccc3 1626a_200000287447_100000185806 [0,0,1,0,1,0|1,0,1]=4 31 B29R3.7187048 O=C(Nc1ccccc1NC(=O)c2cccc(c2)[N+](=O)[O-])c3ccccc3 22a_200000287447_100000185806 [0,0,1,0,1,0|1,0,1]=4 32 B29R3.7186907 O=C(NN=C(C[n+]1ccccc1)c2ccccc2)c3cccc(c3)[N+](=O)[O-] 4a_100000184050_100009811809 [0,0,1,0,1,0|2,0,0]=4 33 B29R3.7186907 O=C(NN=C(Cc1ccccc1)c2ccccc2)c3cccc(c3)[N+](=O)[O-] 4a_100000184050_100000183078 [0,0,1,0,1,0|1,0,0]=3 34 B29R4.6424331 NC(=O)c1cccc(c1)Nc2nc(nc3c2cccc3)c4ccccc4 27a_100000217337_100000261305 [1,0,0,0,1,0|2,0,0]=4 35 B29R4.6424331 O=[N+]([O-])c1cccc(c1)Nc2cc(nc3c2cccc3)c4ccccc4 27a_100000184103_200016987766 [1,0,0,0,1,0|1,0,0]=3 36 B29R4.6424331 O=[N+]([O-])c1cccc(c1)Nc2nc(nc3c2cccc3)c4ccccc4 27a_100000184103_100000261305 [1,0,0,0,1,0|0,0,0]=2 37 B29R4.61472783 O=[N+]([O-])c1cccc(c1)CNc2nc(nc3c2cccc3)c4cccs4 27a_100000755791_100000184998 [1,0,0,0,1,0|1,0,1]=4 38 B31R3.7913127 CC(=CC(=NNC(=O)c1cccc(c1)[N+](=O)[O-])c2ccccc2)c3ccccc3 4a_100000184050_200020616823 [0,0,1,0,0,1|2,0,0]=4 39 B31R3.7913127 O=C(NN=C(C=C([O-])c1ccccc1)c2ccccc2)c3cccc(c3)[N+](=O)[O-] 4a_100000184050_106832991751 [0,0,1,0,0,1|2,0,0]=4 40 B31R3.50282607 O=C(NN=C(C=Cc1ccccc1)c2ccccc2O)c3cccc(c3)[N+](=O)[O-] 4a_100000184050_100016995325 [0,0,1,0,0,1|2,0,0]=4 41 B31R4.71980676 O=[N+]([O-])c1cccc(c1)CCNc2cc(nc3c2cccc3)c4ccccc4 27a_100000694159_200016987766 [1,0,0,0,0,1|1,0,1]=4 42 B31R4.71980676 O=[N+]([O-])c1cccc(c1)CCNc2nc(nc3c2cccc3)c4ccccc4 27a_100000694159_100000261305 [1,0,0,0,0,1|0,0,1]=3 43 B31R4.71980676 O=[N+]([O-])c1cccc(c1)CCSc2nc(nc3c2cccc3)c4ccccc4 62a_100000261305_100011935270 [1,0,0,0,0,1|1,0,1]=4 44 B31R4.8174325 CC(Nc1nc2ccccc2nc1c3ccccc3)c4cccc(c4)[N+](=O)[O-] 27a_100000741830_100016999723 [0,0,0,0,1,1|1,0,1]=4 45 B31R4.8178988 O=C(Cc1c([nH]c2c1cccc2)c3ccccc3)Nc4cccc(c4)[N+](=O)[O-] 11a_100000184103_100000641463 [0,0,0,0,1,1|1,0,1]=4 46 B31R4.8178988 O=C(Cc1c([nH]c2c1cccc2)c3ccccc3)Nc4cccc(c4)[N+](=O)[O-] 22a_100000184103_100000641463 [0,0,0,0,1,1|1,0,1]=4 47 B31R4.8178988 O=C(Cc1c(nc2n1cccc2)c3ccccc3)Nc4cccc(c4)[N+](=O)[O-] 11a_100000184103_100020626241 [0,0,0,0,1,1|2,0,0]=4 48 B31R4.8178988 O=C(Cc1c(nc2n1cccc2)c3ccccc3)Nc4cccc(c4)[N+](=O)[O-] 22a_100000184103_100020626241 [0,0,0,0,1,1|2,0,0]=4 49 B31R4.8178988 O=C(Cc1cccc(c1)[N+](=O)[O-])Cc2c([nH]c3c2cccc3)c4ccccc4 1458a_100000641463_100000737091 [0,0,0,0,1,1|1,0,1]=4 50 B31R4.8178988 O=C(Cc1cccc(c1)[N+](=O)[O-])Cc2c(nc3n2cccc3)c4ccccc4 1458a_100020626241_100000737091 [0,0,0,0,1,1|2,0,0]=4 51 B31R4.372703615 CC(Nc1nnc(c2c1cccc2)c3ccccc3)c4cccc(c4)[N+](=O)[O-] 27a_100000741830_100000260814 [0,0,0,0,1,1|1,0,1]=4 52 B31R4.72394078 C[C@@H](Nc1nc(nc2c1cccc2)c3ccccc3)c4ccccc4[N+](=O)[O-] 27a_100025717333_100000261305 [0,0,0,0,1,1|1,0,1]=4 53 B33R4.63989974 O=C(CSc1cc(nc2c1cccc2)c3ccccc3)Nc4cccc(c4)[N+](=O)[O-] 62a_200016987766_100000184799 [0,0,0,0,0,2|2,0,0]=4 54 B33R4.63989974 O=C(CSc1nc(nc2c1cccc2)c3ccccc3)Nc4cccc(c4)[N+](=O)[O-] 62a_100000261305_100000184799 [0,0,0,0,0,2|1,0,0]=3