0 B11R1.91 CC(=O)C#Cc1ccccc1 1458a_100000736102_200000210301 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [0,0,0,0,0,0|4,0,0]=4 10 B11R1.91 CC(=O)NNc1ccccc1 22a_100015195140_100000070787 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.91 CC(C)OCc1ccccc1 34a_100000210790_100000210206 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.91 CC(C)OCc1ccccc1 34a_100000212225_100015291786 [0,0,0,0,0,0|4,0,0]=4 13 B11R1.91 CC(C)OCc1ccccc1 7a_100000210790_100000210206 [0,0,0,0,0,0|4,0,0]=4 14 B11R1.91 NC(=O)CNc1ccccc1 34a_100000106764_100000187820 [0,0,0,0,0,0|4,0,0]=4 15 B11R1.91 NC(=O)COc1ccccc1 34a_100000210340_100000187820 [0,0,0,0,0,0|4,0,0]=4 16 B11R1.91 NC(=O)COc1ccccc1 7a_100000210340_100000187820 [0,0,0,0,0,0|4,0,0]=4 17 B11R1.91 NC(=O)CSc1ccccc1 62a_100000719477_100000747473 [0,0,0,0,0,0|4,0,0]=4 18 B11R1.91 NC(=O)CSc1ccccc1 62a_100000747473_100000041952 [0,0,0,0,0,0|4,0,0]=4 19 B11R1.91 O=C([O-])CNc1ccccc1 34a_100000106764_100020667443 [0,0,0,0,0,0|3,0,0]=3 20 B11R1.91 O=C([O-])COc1ccccc1 34a_100000210340_100020667443 [0,0,0,0,0,0|3,0,0]=3 21 B11R1.91 O=C([O-])COc1cccnc1 34a_100000210849_100020667443 [0,0,0,0,0,0|4,0,0]=4 22 B11R1.91 O=C([O-])COc1ccncc1 34a_100000212176_100020667443 [0,0,0,0,0,0|4,0,0]=4 23 B11R1.91 O=C([O-])CSc1ccccc1 62a_100000719477_100020667443 [0,0,0,0,0,0|3,0,0]=3 24 B11R1.91 O=C([O-])CSc1ccccc1 62a_100020667443_100000041952 [0,0,0,0,0,0|3,0,0]=3 25 B11R1.91 O=C([O-])CSc1ccccn1 62a_100011216584_100020667443 [0,0,0,0,0,0|4,0,0]=4 26 B11R1.91 O=C([O-])CSc1ccccn1 62a_100020667443_100011216584 [0,0,0,0,0,0|4,0,0]=4 27 B11R1.91 O=C([O-])CSc1cccnc1 62a_100000210063_100020667443 [0,0,0,0,0,0|4,0,0]=4 28 B11R1.91 O=C([O-])CSc1cccnc1 62a_100020667443_100000210063 [0,0,0,0,0,0|4,0,0]=4 29 B11R1.91 O=C([O-])CSc1ccncc1 62a_100000728582_100020667443 [0,0,0,0,0,0|4,0,0]=4 30 B11R1.91 O=C([O-])CSc1ccncc1 62a_100020667443_100000728582 [0,0,0,0,0,0|4,0,0]=4 31 B11R1.91 O=[N+]([O-])CNc1ccccc1 34a_100000106764_100000761209 [0,0,0,0,0,0|2,0,0]=2 32 B11R1.91 O=[N+]([O-])COc1ccccc1 34a_100000210340_100000761209 [0,0,0,0,0,0|2,0,0]=2 33 B11R1.91 O=[N+]([O-])COc1cccnc1 34a_100000210849_100000761209 [0,0,0,0,0,0|3,0,0]=3 34 B11R1.91 O=[N+]([O-])COc1ccncc1 34a_100000212176_100000761209 [0,0,0,0,0,0|3,0,0]=3 35 B11R1.91 O=[N+]([O-])COc1ccnnc1 34a_100015204005_100000761209 [0,0,0,0,0,0|4,0,0]=4 36 B11R1.91 O=[N+]([O-])CSc1ccccc1 62a_100000719477_100000761209 [0,0,0,0,0,0|2,0,0]=2 37 B11R1.91 O=[N+]([O-])CSc1ccccn1 62a_100011216584_100000761209 [0,0,0,0,0,0|3,0,0]=3 38 B11R1.91 O=[N+]([O-])CSc1cccnc1 62a_100000210063_100000761209 [0,0,0,0,0,0|3,0,0]=3 39 B11R1.91 O=[N+]([O-])CSc1cccnn1 62a_100016991348_100000761209 [0,0,0,0,0,0|4,0,0]=4 40 B11R1.91 O=[N+]([O-])CSc1ccncc1 62a_100000728582_100000761209 [0,0,0,0,0,0|3,0,0]=3 41 B11R1.91 O=[N+]([O-])CSc1ccncn1 62a_100000703185_100000761209 [0,0,0,0,0,0|4,0,0]=4 42 B11R1.91 O=[N+]([O-])CSc1ccnnc1 62a_100000732662_100000761209 [0,0,0,0,0,0|4,0,0]=4 43 B11R1.91 O=[N+]([O-])CSc1cnccn1 62a_100000211759_100000761209 [0,0,0,0,0,0|4,0,0]=4 44 B11R1.91 O=[N+]([O-])CSc1cncnc1 62a_100011206942_100000761209 [0,0,0,0,0,0|4,0,0]=4 45 B11R1.91 O=[N+]([O-])CSc1ncccn1 62a_100000211032_100000761209 [0,0,0,0,0,0|4,0,0]=4 46 B11R1.91 [13CH3]C(=O)C#Cc1ccccc1 1458a_100000736102_200025704644 [0,0,0,0,0,0|4,0,0]=4 47 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [0,0,0,0,0,0|4,0,0]=4 48 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [0,0,0,0,0,0|4,0,0]=4 49 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [0,0,0,0,0,0|4,0,0]=4 50 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [0,0,0,0,0,0|4,0,0]=4 51 B10R1.17 CCOCc1ccccc1 34a_100000210790_100000210202 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.17 CCOCc1ccccc1 34a_100121572206_100015291786 [1,0,0,0,0,0|3,0,0]=4 53 B10R1.17 CCOCc1ccccc1 7a_100000210790_100000210202 [1,0,0,0,0,0|3,0,0]=4 54 B10R1.17 FCOCc1ccccc1 34a_100000210790_100015361967 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.17 FCOCc1ccccc1 7a_100000210790_100015361967 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.17 O=CCNc1ccccc1 34a_100000106764_200009817547 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.17 O=CCOc1ccccc1 34a_100000210340_200009817547 [1,0,0,0,0,0|3,0,0]=4 58 B10R1.17 O=CCOc1ccccc1 7a_100000210340_200015260668 [1,0,0,0,0,0|3,0,0]=4 59 B10R1.17 O=CCSc1ccccc1 62a_100000719477_200015260668 [1,0,0,0,0,0|3,0,0]=4 60 B10R1.17 O=CCSc1ccccc1 62a_200015260668_100000041952 [1,0,0,0,0,0|3,0,0]=4 61 B12R1.21 Cc1ccc(cc1)NCC(=O)[O-] 34a_100000124888_100020667443 [0,1,0,0,0,0|3,0,0]=4 62 B12R1.21 Cc1ccc(cc1)NC[N+](=O)[O-] 34a_100000124888_100000761209 [0,1,0,0,0,0|2,0,0]=3 63 B12R1.21 Cc1ccc(cc1)OCC(=O)[O-] 34a_100000210336_100020667443 [0,1,0,0,0,0|3,0,0]=4 64 B12R1.21 Cc1ccc(cc1)OC[N+](=O)[O-] 34a_100000210336_100000761209 [0,1,0,0,0,0|2,0,0]=3 65 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100000186775_100020667443 [0,1,0,0,0,0|3,0,0]=4 66 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000186775 [0,1,0,0,0,0|3,0,0]=4 67 B12R1.21 Cc1ccc(cc1)SC[N+](=O)[O-] 62a_100000186775_100000761209 [0,1,0,0,0,0|2,0,0]=3 68 B12R1.21 Cc1ccc(cn1)OC[N+](=O)[O-] 34a_100000745506_100000761209 [0,1,0,0,0,0|3,0,0]=4 69 B12R1.21 Cc1ccc(cn1)SC[N+](=O)[O-] 62a_100000751577_100000761209 [0,1,0,0,0,0|3,0,0]=4 70 B12R1.21 Cc1ccc(nc1)OC[N+](=O)[O-] 34a_100000759353_100000761209 [0,1,0,0,0,0|3,0,0]=4 71 B12R1.21 Cc1ccc(nc1)SC[N+](=O)[O-] 62a_100011192072_100000761209 [0,1,0,0,0,0|3,0,0]=4 72 B12R1.21 Nc1ccc(cc1)OCC(=O)[O-] 34a_100000185829_100020667443 [0,1,0,0,0,0|3,0,0]=4 73 B12R1.21 Nc1ccc(cc1)OC[N+](=O)[O-] 34a_100000185829_100000761209 [0,1,0,0,0,0|2,0,0]=3 74 B12R1.21 Nc1ccc(cc1)SCC(=O)[O-] 62a_100000185761_100020667443 [0,1,0,0,0,0|3,0,0]=4 75 B12R1.21 Nc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000185761 [0,1,0,0,0,0|3,0,0]=4 76 B12R1.21 Nc1ccc(cc1)SC[N+](=O)[O-] 62a_100000185761_100000761209 [0,1,0,0,0,0|2,0,0]=3 77 B12R1.21 Nc1ccc(cn1)OC[N+](=O)[O-] 34a_100015188713_100000761209 [0,1,0,0,0,0|3,0,0]=4 78 B12R1.21 Nc1ccc(cn1)SC[N+](=O)[O-] 62a_100000187370_100000761209 [0,1,0,0,0,0|3,0,0]=4 79 B12R1.21 Nc1ccc(nc1)OC[N+](=O)[O-] 34a_100000729260_100000761209 [0,1,0,0,0,0|3,0,0]=4 80 B12R1.21 Nc1ccc(nc1)SC[N+](=O)[O-] 62a_100000737798_100000761209 [0,1,0,0,0,0|3,0,0]=4 81 B12R1.21 O=C([O-])CNc1ccc(cc1)Br 34a_100000210018_100020667443 [0,1,0,0,0,0|3,0,0]=4 82 B12R1.21 O=C([O-])CNc1ccc(cc1)Cl 34a_100000210052_100020667443 [0,1,0,0,0,0|3,0,0]=4 83 B12R1.21 O=C([O-])CNc1ccc(cc1)F 34a_100000185862_100020667443 [0,1,0,0,0,0|3,0,0]=4 84 B12R1.21 O=C([O-])CNc1ccc(cc1)I 34a_100000185761_100020667443 [0,1,0,0,0,0|3,0,0]=4 85 B12R1.21 O=C([O-])CNc1ccc(cc1)O 34a_100000185829_100020667443 [0,1,0,0,0,0|3,0,0]=4 86 B12R1.21 O=C([O-])COc1ccc(cc1)Br 34a_100000185759_100020667443 [0,1,0,0,0,0|3,0,0]=4 87 B12R1.21 O=C([O-])COc1ccc(cc1)Cl 34a_100000210216_100020667443 [0,1,0,0,0,0|3,0,0]=4 88 B12R1.21 O=C([O-])COc1ccc(cc1)F 34a_100000210339_100020667443 [0,1,0,0,0,0|3,0,0]=4 89 B12R1.21 O=C([O-])COc1ccc(cc1)I 34a_100000212066_100020667443 [0,1,0,0,0,0|3,0,0]=4 90 B12R1.21 O=C([O-])CSc1ccc(cc1)Br 62a_100000752885_100020667443 [0,1,0,0,0,0|3,0,0]=4 91 B12R1.21 O=C([O-])CSc1ccc(cc1)Br 62a_100020667443_100000752885 [0,1,0,0,0,0|3,0,0]=4 92 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100000755918_100020667443 [0,1,0,0,0,0|3,0,0]=4 93 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100020667443_100000755918 [0,1,0,0,0,0|3,0,0]=4 94 B12R1.21 O=C([O-])CSc1ccc(cc1)F 62a_100000211213_100020667443 [0,1,0,0,0,0|3,0,0]=4 95 B12R1.21 O=C([O-])CSc1ccc(cc1)F 62a_100020667443_100000211213 [0,1,0,0,0,0|3,0,0]=4 96 B12R1.21 O=C([O-])CSc1ccc(cc1)O 62a_100020667443_100000185759 [0,1,0,0,0,0|3,0,0]=4 97 B12R1.21 O=[N+]([O-])CNc1ccc(cc1)Br 34a_100000210018_100000761209 [0,1,0,0,0,0|2,0,0]=3 98 B12R1.21 O=[N+]([O-])CNc1ccc(cc1)Cl 34a_100000210052_100000761209 [0,1,0,0,0,0|2,0,0]=3 99 B12R1.21 O=[N+]([O-])CNc1ccc(cc1)F 34a_100000185862_100000761209 [0,1,0,0,0,0|2,0,0]=3 100 B12R1.21 O=[N+]([O-])CNc1ccc(cc1)I 34a_100000185761_100000761209 [0,1,0,0,0,0|2,0,0]=3 101 B12R1.21 O=[N+]([O-])CNc1ccc(cc1)O 34a_100000185829_100000761209 [0,1,0,0,0,0|2,0,0]=3 102 B12R1.21 O=[N+]([O-])COc1ccc(cc1)Br 34a_100000185759_100000761209 [0,1,0,0,0,0|2,0,0]=3 103 B12R1.21 O=[N+]([O-])COc1ccc(cc1)Cl 34a_100000210216_100000761209 [0,1,0,0,0,0|2,0,0]=3 104 B12R1.21 O=[N+]([O-])COc1ccc(cc1)F 34a_100000210339_100000761209 [0,1,0,0,0,0|2,0,0]=3 105 B12R1.21 O=[N+]([O-])COc1ccc(cc1)I 34a_100000212066_100000761209 [0,1,0,0,0,0|2,0,0]=3 106 B12R1.21 O=[N+]([O-])COc1ccc(cn1)Cl 34a_100011215309_100000761209 [0,1,0,0,0,0|3,0,0]=4 107 B12R1.21 O=[N+]([O-])COc1ccc(cn1)F 34a_100000742473_100000761209 [0,1,0,0,0,0|3,0,0]=4 108 B12R1.21 O=[N+]([O-])COc1ccc(nc1)Br 34a_100000685995_100000761209 [0,1,0,0,0,0|3,0,0]=4 109 B12R1.21 O=[N+]([O-])COc1ccc(nc1)Cl 34a_100000744096_100000761209 [0,1,0,0,0,0|3,0,0]=4 110 B12R1.21 O=[N+]([O-])COc1ccc(nc1)F 34a_100000688820_100000761209 [0,1,0,0,0,0|3,0,0]=4 111 B12R1.21 O=[N+]([O-])COc1ccc(nc1)I 34a_100000687607_100000761209 [0,1,0,0,0,0|3,0,0]=4 112 B12R1.21 O=[N+]([O-])CSc1ccc(cc1)Br 62a_100000752885_100000761209 [0,1,0,0,0,0|2,0,0]=3 113 B12R1.21 O=[N+]([O-])CSc1ccc(cc1)Cl 62a_100000755918_100000761209 [0,1,0,0,0,0|2,0,0]=3 114 B12R1.21 O=[N+]([O-])CSc1ccc(cc1)F 62a_100000211213_100000761209 [0,1,0,0,0,0|2,0,0]=3 115 B12R1.21 O=[N+]([O-])CSc1ccc(cn1)Br 62a_100000686858_100000761209 [0,1,0,0,0,0|3,0,0]=4 116 B12R1.21 O=[N+]([O-])CSc1ccc(cn1)Cl 62a_100011356976_100000761209 [0,1,0,0,0,0|3,0,0]=4 117 B12R1.21 O=[N+]([O-])CSc1ccc(cn1)F 62a_100000744514_100000761209 [0,1,0,0,0,0|3,0,0]=4 118 B12R1.21 O=[N+]([O-])CSc1ccc(cn1)O 62a_100000685995_100000761209 [0,1,0,0,0,0|3,0,0]=4 119 B12R1.21 O=[N+]([O-])CSc1ccc(nc1)Br 62a_100009814638_100000761209 [0,1,0,0,0,0|3,0,0]=4 120 B12R1.21 O=[N+]([O-])CSc1ccc(nc1)Cl 62a_100000034144_100000761209 [0,1,0,0,0,0|3,0,0]=4 121 B12R1.21 O=[N+]([O-])CSc1ccc(nc1)F 62a_100000042367_100000761209 [0,1,0,0,0,0|3,0,0]=4 122 B12R1.21 O=c1ccc(c[nH]1)OC[N+](=O)[O-] 34a_100000075641_100000761209 [0,1,0,0,0,0|3,0,0]=4 123 B12R1.21 O=c1ccc(c[nH]1)SC[N+](=O)[O-] 62a_100000212171_100000761209 [0,1,0,0,0,0|3,0,0]=4 124 B12R1.43 O=C([O-])C(F)Nc1ccccc1 34a_100000106764_100020610796 [0,1,0,0,0,0|3,0,0]=4 125 B12R1.43 O=C([O-])C(F)Oc1ccccc1 34a_100000210340_100020610796 [0,1,0,0,0,0|3,0,0]=4 126 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100000719477_100020610796 [0,1,0,0,0,0|3,0,0]=4 127 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100020610796_100000041952 [0,1,0,0,0,0|3,0,0]=4 128 B12R1.107 CN(CC(=O)[O-])c1ccccc1 269982a_100000210012_100020667443 [0,1,0,0,0,0|3,0,0]=4 129 B12R1.107 CN(CC(=O)[O-])c1ccccc1 34a_100000210012_100020667443 [0,1,0,0,0,0|3,0,0]=4 130 B12R1.107 CN(C[N+](=O)[O-])c1ccccc1 269982a_100000210012_100000761209 [0,1,0,0,0,0|2,0,0]=3 131 B12R1.107 CN(C[N+](=O)[O-])c1ccccc1 34a_100000210012_100000761209 [0,1,0,0,0,0|2,0,0]=3 132 B12R1.107 O=C(C[N+](=O)[O-])c1ccccc1 1458a_100000185807_100000761209 [0,1,0,0,0,0|2,0,0]=3 133 B12R1.107 O=C([O-])CC(=O)c1ccccc1 1458a_100000185807_100020667443 [0,1,0,0,0,0|3,0,0]=4 134 B12R1.125 Cc1ccccc1NCC(=O)[O-] 34a_100015192222_100020667443 [0,1,0,0,0,0|3,0,0]=4 135 B12R1.125 Cc1ccccc1NC[N+](=O)[O-] 34a_100015192222_100000761209 [0,1,0,0,0,0|2,0,0]=3 136 B12R1.125 Cc1ccccc1OCC(=O)[O-] 34a_100000210338_100020667443 [0,1,0,0,0,0|3,0,0]=4 137 B12R1.125 Cc1ccccc1OC[N+](=O)[O-] 34a_100000210338_100000761209 [0,1,0,0,0,0|2,0,0]=3 138 B12R1.125 Cc1ccccc1SCC(=O)[O-] 62a_100000210755_100020667443 [0,1,0,0,0,0|3,0,0]=4 139 B12R1.125 Cc1ccccc1SCC(=O)[O-] 62a_100020667443_100000210755 [0,1,0,0,0,0|3,0,0]=4 140 B12R1.125 Cc1ccccc1SC[N+](=O)[O-] 62a_100000210755_100000761209 [0,1,0,0,0,0|2,0,0]=3 141 B12R1.125 Cc1cccnc1SC[N+](=O)[O-] 62a_100000751373_100000761209 [0,1,0,0,0,0|3,0,0]=4 142 B12R1.125 Cc1ccncc1OC[N+](=O)[O-] 34a_100011997053_100000761209 [0,1,0,0,0,0|3,0,0]=4 143 B12R1.125 Cc1ccncc1SC[N+](=O)[O-] 62a_100000761580_100000761209 [0,1,0,0,0,0|3,0,0]=4 144 B12R1.125 Cc1cnccc1OC[N+](=O)[O-] 34a_100000694293_100000761209 [0,1,0,0,0,0|3,0,0]=4 145 B12R1.125 Cc1cnccc1SC[N+](=O)[O-] 62a_100000765111_100000761209 [0,1,0,0,0,0|3,0,0]=4 146 B12R1.125 Cc1ncccc1OC[N+](=O)[O-] 34a_100000745507_100000761209 [0,1,0,0,0,0|3,0,0]=4 147 B12R1.125 Cc1ncccc1SC[N+](=O)[O-] 62a_100000751574_100000761209 [0,1,0,0,0,0|3,0,0]=4 148 B12R1.125 Nc1ccccc1OCC(=O)[O-] 34a_100000185747_100020667443 [0,1,0,0,0,0|3,0,0]=4 149 B12R1.125 Nc1ccccc1OC[N+](=O)[O-] 34a_100000185747_100000761209 [0,1,0,0,0,0|2,0,0]=3 150 B12R1.125 Nc1ccccc1SCC(=O)[O-] 62a_100000210017_100020667443 [0,1,0,0,0,0|3,0,0]=4 151 B12R1.125 Nc1ccccc1SCC(=O)[O-] 62a_100020667443_100000210017 [0,1,0,0,0,0|3,0,0]=4 152 B12R1.125 Nc1ccccc1SC[N+](=O)[O-] 62a_100000210017_100000761209 [0,1,0,0,0,0|2,0,0]=3 153 B12R1.125 Nc1cccnc1OC[N+](=O)[O-] 34a_100000746358_100000761209 [0,1,0,0,0,0|3,0,0]=4 154 B12R1.125 Nc1cccnc1SC[N+](=O)[O-] 62a_100000688686_100000761209 [0,1,0,0,0,0|3,0,0]=4 155 B12R1.125 Nc1ccncc1OC[N+](=O)[O-] 34a_100000753702_100000761209 [0,1,0,0,0,0|3,0,0]=4 156 B12R1.125 Nc1ccncc1SC[N+](=O)[O-] 62a_100000047001_100000761209 [0,1,0,0,0,0|3,0,0]=4 157 B12R1.125 Nc1cnccc1SC[N+](=O)[O-] 62a_100000756074_100000761209 [0,1,0,0,0,0|3,0,0]=4 158 B12R1.125 Nc1ncccc1OC[N+](=O)[O-] 34a_100000211975_100000761209 [0,1,0,0,0,0|3,0,0]=4 159 B12R1.125 Nc1ncccc1SC[N+](=O)[O-] 62a_100000045569_100000761209 [0,1,0,0,0,0|3,0,0]=4 160 B12R1.125 O=C([O-])CNc1ccccc1Br 34a_100000210017_100020667443 [0,1,0,0,0,0|3,0,0]=4 161 B12R1.125 O=C([O-])CNc1ccccc1Cl 34a_100000185783_100020667443 [0,1,0,0,0,0|3,0,0]=4 162 B12R1.125 O=C([O-])CNc1ccccc1F 34a_100000210422_100020667443 [0,1,0,0,0,0|3,0,0]=4 163 B12R1.125 O=C([O-])CNc1ccccc1I 34a_100000210053_100020667443 [0,1,0,0,0,0|3,0,0]=4 164 B12R1.125 O=C([O-])CNc1ccccc1O 34a_100000185747_100020667443 [0,1,0,0,0,0|3,0,0]=4 165 B12R1.125 O=C([O-])COc1ccccc1Br 34a_100000181306_100020667443 [0,1,0,0,0,0|3,0,0]=4 166 B12R1.125 O=C([O-])COc1ccccc1Cl 34a_100000210172_100020667443 [0,1,0,0,0,0|3,0,0]=4 167 B12R1.125 O=C([O-])COc1ccccc1F 34a_100000210171_100020667443 [0,1,0,0,0,0|3,0,0]=4 168 B12R1.125 O=C([O-])COc1ccccc1I 34a_100000739446_100020667443 [0,1,0,0,0,0|3,0,0]=4 169 B12R1.125 O=C([O-])CSc1ccccc1Br 62a_100000695589_100020667443 [0,1,0,0,0,0|3,0,0]=4 170 B12R1.125 O=C([O-])CSc1ccccc1Br 62a_100020667443_100000695589 [0,1,0,0,0,0|3,0,0]=4 171 B12R1.125 O=C([O-])CSc1ccccc1Cl 62a_100000764095_100020667443 [0,1,0,0,0,0|3,0,0]=4 172 B12R1.125 O=C([O-])CSc1ccccc1Cl 62a_100020667443_100000764095 [0,1,0,0,0,0|3,0,0]=4 173 B12R1.125 O=C([O-])CSc1ccccc1F 62a_100011215700_100020667443 [0,1,0,0,0,0|3,0,0]=4 174 B12R1.125 O=C([O-])CSc1ccccc1F 62a_100020667443_100011215700 [0,1,0,0,0,0|3,0,0]=4 175 B12R1.125 O=C([O-])CSc1ccccc1O 62a_100000739446_100020667443 [0,1,0,0,0,0|3,0,0]=4 176 B12R1.125 O=C([O-])CSc1ccccc1O 62a_100020667443_100000739446 [0,1,0,0,0,0|3,0,0]=4 177 B12R1.125 O=[N+]([O-])CNc1ccccc1Br 34a_100000210017_100000761209 [0,1,0,0,0,0|2,0,0]=3 178 B12R1.125 O=[N+]([O-])CNc1ccccc1Cl 34a_100000185783_100000761209 [0,1,0,0,0,0|2,0,0]=3 179 B12R1.125 O=[N+]([O-])CNc1ccccc1F 34a_100000210422_100000761209 [0,1,0,0,0,0|2,0,0]=3 180 B12R1.125 O=[N+]([O-])CNc1ccccc1I 34a_100000210053_100000761209 [0,1,0,0,0,0|2,0,0]=3 181 B12R1.125 O=[N+]([O-])CNc1ccccc1O 34a_100000185747_100000761209 [0,1,0,0,0,0|2,0,0]=3 182 B12R1.125 O=[N+]([O-])COc1ccccc1Br 34a_100000181306_100000761209 [0,1,0,0,0,0|2,0,0]=3 183 B12R1.125 O=[N+]([O-])COc1ccccc1Cl 34a_100000210172_100000761209 [0,1,0,0,0,0|2,0,0]=3 184 B12R1.125 O=[N+]([O-])COc1ccccc1F 34a_100000210171_100000761209 [0,1,0,0,0,0|2,0,0]=3 185 B12R1.125 O=[N+]([O-])COc1ccccc1I 34a_100000739446_100000761209 [0,1,0,0,0,0|2,0,0]=3 186 B12R1.125 O=[N+]([O-])COc1cccnc1Br 34a_100000744436_100000761209 [0,1,0,0,0,0|3,0,0]=4 187 B12R1.125 O=[N+]([O-])COc1cccnc1Cl 34a_100000757616_100000761209 [0,1,0,0,0,0|3,0,0]=4 188 B12R1.125 O=[N+]([O-])COc1cccnc1F 34a_100000061740_100000761209 [0,1,0,0,0,0|3,0,0]=4 189 B12R1.125 O=[N+]([O-])COc1cccnc1I 34a_100000034122_100000761209 [0,1,0,0,0,0|3,0,0]=4 190 B12R1.125 O=[N+]([O-])COc1ccncc1Br 34a_100011996408_100000761209 [0,1,0,0,0,0|3,0,0]=4 191 B12R1.125 O=[N+]([O-])COc1ccncc1Cl 34a_100011997054_100000761209 [0,1,0,0,0,0|3,0,0]=4 192 B12R1.125 O=[N+]([O-])COc1ccncc1F 34a_200000081243_100000761209 [0,1,0,0,0,0|3,0,0]=4 193 B12R1.125 O=[N+]([O-])COc1cnccc1Cl 34a_100011996695_100000761209 [0,1,0,0,0,0|3,0,0]=4 194 B12R1.125 O=[N+]([O-])COc1cnccc1I 34a_100000050107_100000761209 [0,1,0,0,0,0|3,0,0]=4 195 B12R1.125 O=[N+]([O-])COc1ncccc1Cl 34a_100011290957_100000761209 [0,1,0,0,0,0|3,0,0]=4 196 B12R1.125 O=[N+]([O-])COc1ncccc1F 34a_100011219419_100000761209 [0,1,0,0,0,0|3,0,0]=4 197 B12R1.125 O=[N+]([O-])CSc1c[nH]ccc1=S 62a_200012280681_100000761209 [0,1,0,0,0,0|3,0,0]=4 198 B12R1.125 O=[N+]([O-])CSc1ccccc1Br 62a_100000695589_100000761209 [0,1,0,0,0,0|2,0,0]=3 199 B12R1.125 O=[N+]([O-])CSc1ccccc1Cl 62a_100000764095_100000761209 [0,1,0,0,0,0|2,0,0]=3 200 B12R1.125 O=[N+]([O-])CSc1ccccc1F 62a_100011215700_100000761209 [0,1,0,0,0,0|2,0,0]=3 201 B12R1.125 O=[N+]([O-])CSc1ccccc1O 62a_100000739446_100000761209 [0,1,0,0,0,0|2,0,0]=3 202 B12R1.125 O=[N+]([O-])CSc1cccnc1Br 62a_100010202626_100000761209 [0,1,0,0,0,0|3,0,0]=4 203 B12R1.125 O=[N+]([O-])CSc1cccnc1Cl 62a_100000036424_100000761209 [0,1,0,0,0,0|3,0,0]=4 204 B12R1.125 O=[N+]([O-])CSc1cccnc1F 62a_100009816115_100000761209 [0,1,0,0,0,0|3,0,0]=4 205 B12R1.125 O=[N+]([O-])CSc1cccnc1O 62a_100000760158_100000761209 [0,1,0,0,0,0|3,0,0]=4 206 B12R1.125 O=[N+]([O-])CSc1ccncc1Br 62a_100000726257_100000761209 [0,1,0,0,0,0|3,0,0]=4 207 B12R1.125 O=[N+]([O-])CSc1ccncc1Cl 62a_100000708259_100000761209 [0,1,0,0,0,0|3,0,0]=4 208 B12R1.125 O=[N+]([O-])CSc1ccncc1F 62a_100000047030_100000761209 [0,1,0,0,0,0|3,0,0]=4 209 B12R1.125 O=[N+]([O-])CSc1ccncc1O 62a_100009817591_100000761209 [0,1,0,0,0,0|3,0,0]=4 210 B12R1.125 O=[N+]([O-])CSc1cnccc1Br 62a_100010138639_100000761209 [0,1,0,0,0,0|3,0,0]=4 211 B12R1.125 O=[N+]([O-])CSc1cnccc1Cl 62a_100009995489_100000761209 [0,1,0,0,0,0|3,0,0]=4 212 B12R1.125 O=[N+]([O-])CSc1cnccc1F 62a_100009820683_100000761209 [0,1,0,0,0,0|3,0,0]=4 213 B12R1.125 O=[N+]([O-])CSc1ncccc1Br 62a_100000696092_100000761209 [0,1,0,0,0,0|3,0,0]=4 214 B12R1.125 O=[N+]([O-])CSc1ncccc1Cl 62a_100011356963_100000761209 [0,1,0,0,0,0|3,0,0]=4 215 B12R1.125 O=[N+]([O-])CSc1ncccc1F 62a_100000685392_100000761209 [0,1,0,0,0,0|3,0,0]=4 216 B12R1.125 O=[N+]([O-])CSc1ncccc1O 62a_100000034122_100000761209 [0,1,0,0,0,0|3,0,0]=4 217 B12R1.125 O=c1cc[nH]cc1SC[N+](=O)[O-] 62a_100009998708_100000761209 [0,1,0,0,0,0|3,0,0]=4 218 B12R1.125 O=c1ccocc1OC[N+](=O)[O-] 34a_100000060831_100000761209 [0,1,0,0,0,0|3,0,0]=4 219 B12R1.125 O=c1occcc1OC[N+](=O)[O-] 34a_100000077404_100000761209 [0,1,0,0,0,0|3,0,0]=4 220 B12R1.226 C[n+]1cccc(c1)SC[N+](=O)[O-] 62a_100009996589_100000761209 [0,1,0,0,0,0|3,0,0]=4 221 B12R1.226 Cc1cc(ccn1)OC[N+](=O)[O-] 34a_100000688365_100000761209 [0,1,0,0,0,0|3,0,0]=4 222 B12R1.226 Cc1cc(ccn1)SC[N+](=O)[O-] 62a_100000758586_100000761209 [0,1,0,0,0,0|3,0,0]=4 223 B12R1.226 Cc1cccc(c1)NCC(=O)[O-] 34a_100000188690_100020667443 [0,1,0,0,0,0|3,0,0]=4 224 B12R1.226 Cc1cccc(c1)NC[N+](=O)[O-] 34a_100000188690_100000761209 [0,1,0,0,0,0|2,0,0]=3 225 B12R1.226 Cc1cccc(c1)OCC(=O)[O-] 34a_100000210337_100020667443 [0,1,0,0,0,0|3,0,0]=4 226 B12R1.226 Cc1cccc(c1)OC[N+](=O)[O-] 34a_100000210337_100000761209 [0,1,0,0,0,0|2,0,0]=3 227 B12R1.226 Cc1cccc(c1)SCC(=O)[O-] 62a_100011215228_100020667443 [0,1,0,0,0,0|3,0,0]=4 228 B12R1.226 Cc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100011215228 [0,1,0,0,0,0|3,0,0]=4 229 B12R1.226 Cc1cccc(c1)SC[N+](=O)[O-] 62a_100011215228_100000761209 [0,1,0,0,0,0|2,0,0]=3 230 B12R1.226 Cc1cccc(n1)SC[N+](=O)[O-] 62a_100000742759_100000761209 [0,1,0,0,0,0|3,0,0]=4 231 B12R1.226 Cc1ccnc(c1)SC[N+](=O)[O-] 62a_100000750283_100000761209 [0,1,0,0,0,0|3,0,0]=4 232 B12R1.226 Cc1cncc(c1)OC[N+](=O)[O-] 34a_100011830280_100000761209 [0,1,0,0,0,0|3,0,0]=4 233 B12R1.226 Cc1cncc(c1)SC[N+](=O)[O-] 62a_100000760492_100000761209 [0,1,0,0,0,0|3,0,0]=4 234 B12R1.226 Nc1cc(ccn1)OC[N+](=O)[O-] 34a_100011834064_100000761209 [0,1,0,0,0,0|3,0,0]=4 235 B12R1.226 Nc1cc(ccn1)SC[N+](=O)[O-] 62a_100000049665_100000761209 [0,1,0,0,0,0|3,0,0]=4 236 B12R1.226 Nc1cccc(c1)OCC(=O)[O-] 34a_100000210217_100020667443 [0,1,0,0,0,0|3,0,0]=4 237 B12R1.226 Nc1cccc(c1)OC[N+](=O)[O-] 34a_100000210217_100000761209 [0,1,0,0,0,0|2,0,0]=3 238 B12R1.226 Nc1cccc(c1)SCC(=O)[O-] 62a_100000210019_100020667443 [0,1,0,0,0,0|3,0,0]=4 239 B12R1.226 Nc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100000210019 [0,1,0,0,0,0|3,0,0]=4 240 B12R1.226 Nc1cccc(c1)SC[N+](=O)[O-] 62a_100000210019_100000761209 [0,1,0,0,0,0|2,0,0]=3 241 B12R1.226 Nc1cccc(n1)SC[N+](=O)[O-] 62a_100000740741_100000761209 [0,1,0,0,0,0|3,0,0]=4 242 B12R1.226 Nc1ccnc(c1)SC[N+](=O)[O-] 62a_100009814236_100000761209 [0,1,0,0,0,0|3,0,0]=4 243 B12R1.226 Nc1cncc(c1)OC[N+](=O)[O-] 34a_100011997051_100000761209 [0,1,0,0,0,0|3,0,0]=4 244 B12R1.226 Nc1cncc(c1)SC[N+](=O)[O-] 62a_100000687067_100000761209 [0,1,0,0,0,0|3,0,0]=4 245 B12R1.226 O=C([O-])CNc1cccc(c1)Br 34a_100000210019_100020667443 [0,1,0,0,0,0|3,0,0]=4 246 B12R1.226 O=C([O-])CNc1cccc(c1)Cl 34a_100000185859_100020667443 [0,1,0,0,0,0|3,0,0]=4 247 B12R1.226 O=C([O-])CNc1cccc(c1)F 34a_100000210047_100020667443 [0,1,0,0,0,0|3,0,0]=4 248 B12R1.226 O=C([O-])CNc1cccc(c1)I 34a_100000211102_100020667443 [0,1,0,0,0,0|3,0,0]=4 249 B12R1.226 O=C([O-])CNc1cccc(c1)O 34a_100000210217_100020667443 [0,1,0,0,0,0|3,0,0]=4 250 B12R1.226 O=C([O-])COc1cccc(c1)Br 34a_100000210342_100020667443 [0,1,0,0,0,0|3,0,0]=4 251 B12R1.226 O=C([O-])COc1cccc(c1)Cl 34a_100000210295_100020667443 [0,1,0,0,0,0|3,0,0]=4 252 B12R1.226 O=C([O-])COc1cccc(c1)F 34a_100000210426_100020667443 [0,1,0,0,0,0|3,0,0]=4 253 B12R1.226 O=C([O-])COc1cccc(c1)I 34a_100000211634_100020667443 [0,1,0,0,0,0|3,0,0]=4 254 B12R1.226 O=C([O-])CSc1cccc(c1)Br 62a_100000691529_100020667443 [0,1,0,0,0,0|3,0,0]=4 255 B12R1.226 O=C([O-])CSc1cccc(c1)Br 62a_100020667443_100000691529 [0,1,0,0,0,0|3,0,0]=4 256 B12R1.226 O=C([O-])CSc1cccc(c1)Cl 62a_100000699651_100020667443 [0,1,0,0,0,0|3,0,0]=4 257 B12R1.226 O=C([O-])CSc1cccc(c1)Cl 62a_100020667443_100000699651 [0,1,0,0,0,0|3,0,0]=4 258 B12R1.226 O=C([O-])CSc1cccc(c1)F 62a_100000685547_100020667443 [0,1,0,0,0,0|3,0,0]=4 259 B12R1.226 O=C([O-])CSc1cccc(c1)F 62a_100020667443_100000685547 [0,1,0,0,0,0|3,0,0]=4 260 B12R1.226 O=C([O-])CSc1cccc(c1)O 62a_100020667443_100000211634 [0,1,0,0,0,0|3,0,0]=4 261 B12R1.226 O=C([O-])CSc1cccc(c1)[S] 62a_100020667443_114929384022 [0,1,0,0,0,0|3,0,0]=4 262 B12R1.226 O=C([O-])CSc1cccc(c1)[S] 62a_114929384022_100020667443 [0,1,0,0,0,0|3,0,0]=4 263 B12R1.226 O=[N+]([O-])CNc1cccc(c1)Br 34a_100000210019_100000761209 [0,1,0,0,0,0|2,0,0]=3 264 B12R1.226 O=[N+]([O-])CNc1cccc(c1)Cl 34a_100000185859_100000761209 [0,1,0,0,0,0|2,0,0]=3 265 B12R1.226 O=[N+]([O-])CNc1cccc(c1)F 34a_100000210047_100000761209 [0,1,0,0,0,0|2,0,0]=3 266 B12R1.226 O=[N+]([O-])CNc1cccc(c1)I 34a_100000211102_100000761209 [0,1,0,0,0,0|2,0,0]=3 267 B12R1.226 O=[N+]([O-])CNc1cccc(c1)O 34a_100000210217_100000761209 [0,1,0,0,0,0|2,0,0]=3 268 B12R1.226 O=[N+]([O-])COc1ccc[n+](c1)[O-] 34a_100000039713_100000761209 [0,1,0,0,0,0|3,0,0]=4 269 B12R1.226 O=[N+]([O-])COc1cccc(c1)Br 34a_100000210342_100000761209 [0,1,0,0,0,0|2,0,0]=3 270 B12R1.226 O=[N+]([O-])COc1cccc(c1)Cl 34a_100000210295_100000761209 [0,1,0,0,0,0|2,0,0]=3 271 B12R1.226 O=[N+]([O-])COc1cccc(c1)F 34a_100000210426_100000761209 [0,1,0,0,0,0|2,0,0]=3 272 B12R1.226 O=[N+]([O-])COc1cccc(c1)I 34a_100000211634_100000761209 [0,1,0,0,0,0|2,0,0]=3 273 B12R1.226 O=[N+]([O-])COc1cccc(n1)F 34a_100011432558_100000761209 [0,1,0,0,0,0|3,0,0]=4 274 B12R1.226 O=[N+]([O-])COc1ccnc(c1)Cl 34a_100000762945_100000761209 [0,1,0,0,0,0|3,0,0]=4 275 B12R1.226 O=[N+]([O-])COc1ccnc(c1)F 34a_100000732698_100000761209 [0,1,0,0,0,0|3,0,0]=4 276 B12R1.226 O=[N+]([O-])COc1cncc(c1)Br 34a_100000754920_100000761209 [0,1,0,0,0,0|3,0,0]=4 277 B12R1.226 O=[N+]([O-])COc1cncc(c1)F 34a_100011830296_100000761209 [0,1,0,0,0,0|3,0,0]=4 278 B12R1.226 O=[N+]([O-])CSc1cc(ccn1)Cl 62a_100010167805_100000761209 [0,1,0,0,0,0|3,0,0]=4 279 B12R1.226 O=[N+]([O-])CSc1cc(ccn1)F 62a_100000764206_100000761209 [0,1,0,0,0,0|3,0,0]=4 280 B12R1.226 O=[N+]([O-])CSc1cccc(c1)Br 62a_100000691529_100000761209 [0,1,0,0,0,0|2,0,0]=3 281 B12R1.226 O=[N+]([O-])CSc1cccc(c1)Cl 62a_100000699651_100000761209 [0,1,0,0,0,0|2,0,0]=3 282 B12R1.226 O=[N+]([O-])CSc1cccc(c1)F 62a_100000685547_100000761209 [0,1,0,0,0,0|2,0,0]=3 283 B12R1.226 O=[N+]([O-])CSc1cccc(c1)[S] 62a_114929384022_100000761209 [0,1,0,0,0,0|2,0,0]=3 284 B12R1.226 O=[N+]([O-])CSc1cccc(n1)Br 62a_100000684672_100000761209 [0,1,0,0,0,0|3,0,0]=4 285 B12R1.226 O=[N+]([O-])CSc1cccc(n1)Cl 62a_100000051397_100000761209 [0,1,0,0,0,0|3,0,0]=4 286 B12R1.226 O=[N+]([O-])CSc1cccc(n1)F 62a_100009815982_100000761209 [0,1,0,0,0,0|3,0,0]=4 287 B12R1.226 O=[N+]([O-])CSc1ccnc(c1)Br 62a_100009814637_100000761209 [0,1,0,0,0,0|3,0,0]=4 288 B12R1.226 O=[N+]([O-])CSc1ccnc(c1)Cl 62a_100000035001_100000761209 [0,1,0,0,0,0|3,0,0]=4 289 B12R1.226 O=[N+]([O-])CSc1ccnc(c1)F 62a_100009816116_100000761209 [0,1,0,0,0,0|3,0,0]=4 290 B12R1.226 O=[N+]([O-])CSc1cncc(c1)Br 62a_100000728054_100000761209 [0,1,0,0,0,0|3,0,0]=4 291 B12R1.226 O=[N+]([O-])CSc1cncc(c1)Cl 62a_100000049639_100000761209 [0,1,0,0,0,0|3,0,0]=4 292 B12R1.226 O=[N+]([O-])CSc1cncc(c1)F 62a_100000744099_100000761209 [0,1,0,0,0,0|3,0,0]=4 293 B12R1.226 O=[N+]([O-])CSc1cncc(c1)O 62a_100000754920_100000761209 [0,1,0,0,0,0|3,0,0]=4 294 B12R1.226 O=c1cc(cc[nH]1)OC[N+](=O)[O-] 34a_100000032262_100000761209 [0,1,0,0,0,0|3,0,0]=4 295 B12R1.226 O=c1cc(cc[nH]1)SC[N+](=O)[O-] 62a_100009816521_100000761209 [0,1,0,0,0,0|3,0,0]=4 296 B12R1.226 O=c1cc[nH]c(c1)SC[N+](=O)[O-] 62a_100009817434_100000761209 [0,1,0,0,0,0|3,0,0]=4 297 B12R1.226 O=c1cccc([nH]1)OC[N+](=O)[O-] 34a_100000033347_100000761209 [0,1,0,0,0,0|3,0,0]=4 298 B12R1.891 O=S(=O)([O-])CNc1ccccc1 34a_100000106764_100009817235 [0,1,0,0,0,0|3,0,0]=4 299 B12R1.891 O=S(=O)([O-])COc1ccccc1 34a_100000210340_100009817235 [0,1,0,0,0,0|3,0,0]=4 300 B12R1.891 O=S(=O)([O-])CSc1ccccc1 62a_100000719477_100009817235 [0,1,0,0,0,0|3,0,0]=4 301 B12R1.891 O=S(=O)([O-])CSc1ccccc1 62a_100009817235_100000041952 [0,1,0,0,0,0|3,0,0]=4 302 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [0,0,0,0,1,0|3,0,0]=4 303 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [0,0,0,0,1,0|3,0,0]=4 304 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [0,0,0,0,1,0|3,0,0]=4 305 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [0,0,0,0,1,0|3,0,0]=4 306 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [0,0,0,0,1,0|3,0,0]=4 307 B10R1.18 CC(C)Oc1ccccc1 34a_100000210340_100000210206 [0,0,0,0,1,0|3,0,0]=4 308 B10R1.18 CC(C)Oc1ccccc1 7a_100000210340_100000210206 [0,0,0,0,1,0|3,0,0]=4 309 B10R1.66 O=[N+]([O-])COc1ccsc1 34a_100000106738_100000761209 [0,0,0,0,1,0|3,0,0]=4 310 B10R1.66 O=[N+]([O-])CSc1ccco1 62a_100009814098_100000761209 [0,0,0,0,1,0|3,0,0]=4 311 B10R1.66 O=[N+]([O-])CSc1cccs1 62a_100011215356_100000761209 [0,0,0,0,1,0|3,0,0]=4 312 B10R1.66 O=[N+]([O-])CSc1ccoc1 62a_100011215275_100000761209 [0,0,0,0,1,0|3,0,0]=4 313 B10R1.66 O=[N+]([O-])CSc1ccsc1 62a_100000738268_100000761209 [0,0,0,0,1,0|3,0,0]=4 314 B12R1.252 CC(=O)COCc1ccccc1 1458a_100000230186_200000210301 [0,0,0,0,0,1|3,0,0]=4 315 B12R1.252 CC(=O)COCc1ccccc1 34a_100000211253_100015291786 [0,0,0,0,0,1|3,0,0]=4 316 B12R1.252 CC(=O)OCNc1ccccc1 34a_100000106764_100009813279 [0,0,0,0,0,1|3,0,0]=4 317 B12R1.252 CC(=O)OCOc1ccccc1 34a_100000210340_100009813279 [0,0,0,0,0,1|3,0,0]=4 318 B12R1.252 CC(=O)OCSc1ccccc1 62a_100000076356_100000041952 [0,0,0,0,0,1|3,0,0]=4 319 B12R1.252 CC(=O)OCSc1ccccc1 62a_100000719477_100000076356 [0,0,0,0,0,1|3,0,0]=4 320 B12R1.252 NC(=O)COCc1ccccc1 34a_100000210790_100000187820 [0,0,0,0,0,1|3,0,0]=4 321 B12R1.252 NC(=O)COCc1ccccc1 7a_100000210790_100000187820 [0,0,0,0,0,1|3,0,0]=4 322 B12R1.252 O=C([O-])CNCc1ccccc1 34a_100015324214_100020667443 [0,0,0,0,0,1|3,0,0]=4 323 B12R1.252 O=C([O-])COCc1ccccc1 34a_100000210790_100020667443 [0,0,0,0,0,1|2,0,0]=3 324 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100000211182_100020667443 [0,0,0,0,0,1|2,1,0]=4 325 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100020667443_100015291786 [0,0,0,0,0,1|2,1,0]=4 326 B12R1.252 O=[N+]([O-])CNCc1ccccc1 34a_100015324214_100000761209 [0,0,0,0,0,1|2,0,0]=3 327 B12R1.252 O=[N+]([O-])COCc1ccccc1 34a_100000210790_100000761209 [0,0,0,0,0,1|1,0,0]=2 328 B12R1.252 O=[N+]([O-])CSCc1ccccc1 62a_100000211182_100000761209 [0,0,0,0,0,1|1,1,0]=3 329 B12R1.252 O=[N+]([O-])CSCc1ccccn1 62a_100000721315_100000761209 [0,0,0,0,0,1|2,1,0]=4 330 B12R1.252 O=[N+]([O-])CSCc1cccnc1 62a_100000741622_100000761209 [0,0,0,0,0,1|2,1,0]=4 331 B12R1.252 O=[N+]([O-])CSCc1ccncc1 62a_100015193705_100000761209 [0,0,0,0,0,1|2,1,0]=4 332 B12R1.252 [13CH3]C(=O)COCc1ccccc1 1458a_100000230186_200025704644 [0,0,0,0,0,1|3,0,0]=4 333 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [2,0,0,0,0,0|2,0,0]=4 334 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [2,0,0,0,0,0|2,0,0]=4 335 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [2,0,0,0,0,0|2,0,0]=4 336 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [2,0,0,0,0,0|2,0,0]=4 337 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [2,0,0,0,0,0|2,0,0]=4 338 B9R1.8 FCOc1ccccc1 34a_100000210340_100015361967 [2,0,0,0,0,0|2,0,0]=4 339 B9R1.8 FCOc1ccccc1 7a_100000210340_100015361967 [2,0,0,0,0,0|2,0,0]=4 340 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [2,0,0,0,0,0|2,0,0]=4 341 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [2,0,0,0,0,0|2,0,0]=4 342 B11R1.28 O=CCOCc1ccccc1 34a_100000210790_200009817547 [1,1,0,0,0,0|2,0,0]=4 343 B11R1.28 O=CCOCc1ccccc1 7a_100000210790_200015260668 [1,1,0,0,0,0|2,0,0]=4 344 B11R1.20 CC(=O)Oc1ccc(cc1)O 271570a_203496583355_100000002173 [0,1,0,0,1,0|2,0,0]=4 345 B11R1.86 CC(=O)Oc1ccccc1O 271570a_203496583355_100000051690 [0,1,0,0,1,0|2,0,0]=4 346 B11R1.157 CC(=O)Oc1cccc(c1)O 271570a_203496583355_100009811612 [0,1,0,0,1,0|2,0,0]=4 347 B13R1.45 CC(SC[N+](=O)[O-])c1ccccc1 62a_100000230085_100000761209 [0,1,0,0,0,1|1,1,0]=4 348 B13R1.45 C[C@@H](OCC(=O)[O-])c1ccccc1 34a_100000761318_100020667443 [0,1,0,0,0,1|2,0,0]=4 349 B13R1.45 C[C@@H](OC[N+](=O)[O-])c1ccccc1 34a_100000761318_100000761209 [0,1,0,0,0,1|1,0,0]=3 350 B13R1.149 Cc1cc(ccn1)COC[N+](=O)[O-] 34a_100011998630_100000761209 [0,1,0,0,0,1|2,0,0]=4 351 B13R1.149 Cc1cccc(c1)CNC[N+](=O)[O-] 34a_100000185548_100000761209 [0,1,0,0,0,1|2,0,0]=4 352 B13R1.149 Cc1cccc(c1)COCC(=O)[O-] 34a_100011217746_100020667443 [0,1,0,0,0,1|2,0,0]=4 353 B13R1.149 Cc1cccc(c1)COC[N+](=O)[O-] 34a_100011217746_100000761209 [0,1,0,0,0,1|1,0,0]=3 354 B13R1.149 Cc1cccc(c1)CSC[N+](=O)[O-] 62a_100000211840_100000761209 [0,1,0,0,0,1|1,1,0]=4 355 B13R1.149 Cc1cccc(n1)COC[N+](=O)[O-] 34a_100000690600_100000761209 [0,1,0,0,0,1|2,0,0]=4 356 B13R1.149 Cc1ccnc(c1)COC[N+](=O)[O-] 34a_100011998357_100000761209 [0,1,0,0,0,1|2,0,0]=4 357 B13R1.149 Cc1cncc(c1)COC[N+](=O)[O-] 34a_100011998709_100000761209 [0,1,0,0,0,1|2,0,0]=4 358 B13R1.149 Nc1cccc(c1)COCC(=O)[O-] 34a_100000211919_100020667443 [0,1,0,0,0,1|2,0,0]=4 359 B13R1.149 Nc1cccc(c1)COC[N+](=O)[O-] 34a_100000211919_100000761209 [0,1,0,0,0,1|1,0,0]=3 360 B13R1.149 Nc1ccnc(c1)COC[N+](=O)[O-] 34a_100000692640_100000761209 [0,1,0,0,0,1|2,0,0]=4 361 B13R1.149 Nc1cncc(c1)COC[N+](=O)[O-] 34a_100000085308_100000761209 [0,1,0,0,0,1|2,0,0]=4 362 B13R1.149 O=C([O-])COCc1cccc(c1)Br 34a_100000687537_100020667443 [0,1,0,0,0,1|2,0,0]=4 363 B13R1.149 O=C([O-])COCc1cccc(c1)Cl 34a_100000241301_100020667443 [0,1,0,0,0,1|2,0,0]=4 364 B13R1.149 O=C([O-])COCc1cccc(c1)F 34a_100000210976_100020667443 [0,1,0,0,0,1|2,0,0]=4 365 B13R1.149 O=C([O-])COCc1cccc(c1)I 34a_100011215336_100020667443 [0,1,0,0,0,1|2,0,0]=4 366 B13R1.149 O=[N+]([O-])CNCc1cccc(c1)Br 34a_100000174977_100000761209 [0,1,0,0,0,1|2,0,0]=4 367 B13R1.149 O=[N+]([O-])CNCc1cccc(c1)Cl 34a_100000174878_100000761209 [0,1,0,0,0,1|2,0,0]=4 368 B13R1.149 O=[N+]([O-])CNCc1cccc(c1)F 34a_100000174948_100000761209 [0,1,0,0,0,1|2,0,0]=4 369 B13R1.149 O=[N+]([O-])CNCc1cccc(c1)I 34a_100000106179_100000761209 [0,1,0,0,0,1|2,0,0]=4 370 B13R1.149 O=[N+]([O-])CNCc1cccc(c1)O 34a_100000743036_100000761209 [0,1,0,0,0,1|2,0,0]=4 371 B13R1.149 O=[N+]([O-])COCc1cc(ccn1)Cl 34a_100000748867_100000761209 [0,1,0,0,0,1|2,0,0]=4 372 B13R1.149 O=[N+]([O-])COCc1ccc[n+](c1)[O-] 34a_100000037817_100000761209 [0,1,0,0,0,1|2,0,0]=4 373 B13R1.149 O=[N+]([O-])COCc1cccc(c1)Br 34a_100000687537_100000761209 [0,1,0,0,0,1|1,0,0]=3 374 B13R1.149 O=[N+]([O-])COCc1cccc(c1)Cl 34a_100000241301_100000761209 [0,1,0,0,0,1|1,0,0]=3 375 B13R1.149 O=[N+]([O-])COCc1cccc(c1)F 34a_100000210976_100000761209 [0,1,0,0,0,1|1,0,0]=3 376 B13R1.149 O=[N+]([O-])COCc1cccc(c1)I 34a_100011215336_100000761209 [0,1,0,0,0,1|1,0,0]=3 377 B13R1.149 O=[N+]([O-])COCc1cccc(n1)Br 34a_100000694195_100000761209 [0,1,0,0,0,1|2,0,0]=4 378 B13R1.149 O=[N+]([O-])COCc1cccc(n1)Cl 34a_100011998359_100000761209 [0,1,0,0,0,1|2,0,0]=4 379 B13R1.149 O=[N+]([O-])COCc1cccc(n1)F 34a_100000086748_100000761209 [0,1,0,0,0,1|2,0,0]=4 380 B13R1.149 O=[N+]([O-])COCc1ccnc(c1)Br 34a_100009814636_100000761209 [0,1,0,0,0,1|2,0,0]=4 381 B13R1.149 O=[N+]([O-])COCc1ccnc(c1)Cl 34a_100000748751_100000761209 [0,1,0,0,0,1|2,0,0]=4 382 B13R1.149 O=[N+]([O-])COCc1ccnc(c1)F 34a_100000082451_100000761209 [0,1,0,0,0,1|2,0,0]=4 383 B13R1.149 O=[N+]([O-])COCc1cncc(c1)Br 34a_100011259137_100000761209 [0,1,0,0,0,1|2,0,0]=4 384 B13R1.149 O=[N+]([O-])COCc1cncc(c1)Cl 34a_100000092867_100000761209 [0,1,0,0,0,1|2,0,0]=4 385 B13R1.149 O=[N+]([O-])COCc1cncc(c1)F 34a_100011962875_100000761209 [0,1,0,0,0,1|2,0,0]=4 386 B13R1.149 O=[N+]([O-])CSCc1cccc(c1)Br 62a_100000211773_100000761209 [0,1,0,0,0,1|1,1,0]=4 387 B13R1.149 O=[N+]([O-])CSCc1cccc(c1)Cl 62a_100000187163_100000761209 [0,1,0,0,0,1|1,1,0]=4 388 B13R1.149 O=[N+]([O-])CSCc1cccc(c1)F 62a_100000230114_100000761209 [0,1,0,0,0,1|1,1,0]=4 389 B13R1.149 O=[N+]([O-])CSCc1cccc(c1)I 62a_100011218688_100000761209 [0,1,0,0,0,1|1,1,0]=4 390 B13R1.149 O=[N+]([O-])CSCc1cccc(c1)O 62a_100011660834_100000761209 [0,1,0,0,0,1|1,1,0]=4 391 B13R1.158 Cc1ccccc1CNC[N+](=O)[O-] 34a_100000174972_100000761209 [0,1,0,0,0,1|2,0,0]=4 392 B13R1.158 Cc1ccccc1COCC(=O)[O-] 34a_100000698903_100020667443 [0,1,0,0,0,1|2,0,0]=4 393 B13R1.158 Cc1ccccc1COC[N+](=O)[O-] 34a_100000698903_100000761209 [0,1,0,0,0,1|1,0,0]=3 394 B13R1.158 Cc1ccccc1CSC[N+](=O)[O-] 62a_100000211839_100000761209 [0,1,0,0,0,1|1,1,0]=4 395 B13R1.158 Cc1cccnc1COC[N+](=O)[O-] 34a_100000698912_100000761209 [0,1,0,0,0,1|2,0,0]=4 396 B13R1.158 Cc1ccncc1COC[N+](=O)[O-] 34a_100011996381_100000761209 [0,1,0,0,0,1|2,0,0]=4 397 B13R1.158 Cc1cnccc1COC[N+](=O)[O-] 34a_100011997032_100000761209 [0,1,0,0,0,1|2,0,0]=4 398 B13R1.158 Cc1ncccc1COC[N+](=O)[O-] 34a_100000729262_100000761209 [0,1,0,0,0,1|2,0,0]=4 399 B13R1.158 Nc1ccccc1COCC(=O)[O-] 34a_100000212039_100020667443 [0,1,0,0,0,1|2,0,0]=4 400 B13R1.158 Nc1ccccc1COC[N+](=O)[O-] 34a_100000212039_100000761209 [0,1,0,0,0,1|1,0,0]=3 401 B13R1.158 Nc1cccnc1COC[N+](=O)[O-] 34a_114873767017_100000761209 [0,1,0,0,0,1|2,0,0]=4 402 B13R1.158 O=C([O-])COCc1ccccc1Br 34a_100000756307_100020667443 [0,1,0,0,0,1|2,0,0]=4 403 B13R1.158 O=C([O-])COCc1ccccc1Cl 34a_100000210847_100020667443 [0,1,0,0,0,1|2,0,0]=4 404 B13R1.158 O=C([O-])COCc1ccccc1F 34a_100000211962_100020667443 [0,1,0,0,0,1|2,0,0]=4 405 B13R1.158 O=C([O-])COCc1ccccc1I 34a_100000187465_100020667443 [0,1,0,0,0,1|2,0,0]=4 406 B13R1.158 O=[N+]([O-])CNCc1ccccc1Br 34a_100000689332_100000761209 [0,1,0,0,0,1|2,0,0]=4 407 B13R1.158 O=[N+]([O-])CNCc1ccccc1Cl 34a_100000174879_100000761209 [0,1,0,0,0,1|2,0,0]=4 408 B13R1.158 O=[N+]([O-])CNCc1ccccc1F 34a_100000174869_100000761209 [0,1,0,0,0,1|2,0,0]=4 409 B13R1.158 O=[N+]([O-])CNCc1ccccc1O 34a_100000185550_100000761209 [0,1,0,0,0,1|2,0,0]=4 410 B13R1.158 O=[N+]([O-])COCc1ccccc1Br 34a_100000756307_100000761209 [0,1,0,0,0,1|1,0,0]=3 411 B13R1.158 O=[N+]([O-])COCc1ccccc1Cl 34a_100000210847_100000761209 [0,1,0,0,0,1|1,0,0]=3 412 B13R1.158 O=[N+]([O-])COCc1ccccc1F 34a_100000211962_100000761209 [0,1,0,0,0,1|1,0,0]=3 413 B13R1.158 O=[N+]([O-])COCc1ccccc1I 34a_100000187465_100000761209 [0,1,0,0,0,1|1,0,0]=3 414 B13R1.158 O=[N+]([O-])COCc1cccnc1Br 34a_100000719692_100000761209 [0,1,0,0,0,1|2,0,0]=4 415 B13R1.158 O=[N+]([O-])COCc1cccnc1Cl 34a_100000748726_100000761209 [0,1,0,0,0,1|2,0,0]=4 416 B13R1.158 O=[N+]([O-])COCc1cccnc1F 34a_100000079888_100000761209 [0,1,0,0,0,1|2,0,0]=4 417 B13R1.158 O=[N+]([O-])COCc1ccncc1F 34a_100012172863_100000761209 [0,1,0,0,0,1|2,0,0]=4 418 B13R1.158 O=[N+]([O-])COCc1cnccc1Cl 34a_100000117392_100000761209 [0,1,0,0,0,1|2,0,0]=4 419 B13R1.158 O=[N+]([O-])COCc1ncccc1Br 34a_100011996772_100000761209 [0,1,0,0,0,1|2,0,0]=4 420 B13R1.158 O=[N+]([O-])COCc1ncccc1Cl 34a_100012002383_100000761209 [0,1,0,0,0,1|2,0,0]=4 421 B13R1.158 O=[N+]([O-])COCc1ncccc1F 34a_100011934865_100000761209 [0,1,0,0,0,1|2,0,0]=4 422 B13R1.158 O=[N+]([O-])CSCc1ccccc1Br 62a_100000184730_100000761209 [0,1,0,0,0,1|1,1,0]=4 423 B13R1.158 O=[N+]([O-])CSCc1ccccc1Cl 62a_100000187162_100000761209 [0,1,0,0,0,1|1,1,0]=4 424 B13R1.158 O=[N+]([O-])CSCc1ccccc1F 62a_100000211605_100000761209 [0,1,0,0,0,1|1,1,0]=4 425 B13R1.158 O=[N+]([O-])CSCc1ccccc1I 62a_100011216222_100000761209 [0,1,0,0,0,1|1,1,0]=4 426 B13R1.348 CN(Cc1ccccc1)C[N+](=O)[O-] 269982a_100000186898_100000761209 [0,1,0,0,0,1|2,0,0]=4 427 B13R1.351 C[C@H](OCc1ccccc1)C(=O)[O-] 7a_217856618621_100000211182 [0,1,0,0,0,1|2,0,0]=4 428 B13R1.351 O=C([O-])C(F)OCc1ccccc1 34a_100000210790_100020610796 [0,1,0,0,0,1|2,0,0]=4 429 B13R1.513 C[n+]1ccc(cc1)COC[N+](=O)[O-] 34a_100009831711_100000761209 [0,1,0,0,0,1|2,0,0]=4 430 B13R1.513 Cc1ccc(cc1)CNC[N+](=O)[O-] 34a_100000174908_100000761209 [0,1,0,0,0,1|2,0,0]=4 431 B13R1.513 Cc1ccc(cc1)COCC(=O)[O-] 34a_100011215236_100020667443 [0,1,0,0,0,1|2,0,0]=4 432 B13R1.513 Cc1ccc(cc1)COC[N+](=O)[O-] 34a_100011215236_100000761209 [0,1,0,0,0,1|1,0,0]=3 433 B13R1.513 Cc1ccc(cc1)CSC[N+](=O)[O-] 62a_100000210814_100000761209 [0,1,0,0,0,1|1,1,0]=4 434 B13R1.513 Cc1ccc(cn1)COC[N+](=O)[O-] 34a_100011248133_100000761209 [0,1,0,0,0,1|2,0,0]=4 435 B13R1.513 Cc1ccc(nc1)COC[N+](=O)[O-] 34a_100012001401_100000761209 [0,1,0,0,0,1|2,0,0]=4 436 B13R1.513 Nc1ccc(cc1)COCC(=O)[O-] 34a_100011215238_100020667443 [0,1,0,0,0,1|2,0,0]=4 437 B13R1.513 Nc1ccc(cc1)COC[N+](=O)[O-] 34a_100011215238_100000761209 [0,1,0,0,0,1|1,0,0]=3 438 B13R1.513 Nc1ccc(cn1)COC[N+](=O)[O-] 34a_100000704267_100000761209 [0,1,0,0,0,1|2,0,0]=4 439 B13R1.513 Nc1ccc(nc1)COC[N+](=O)[O-] 34a_100011998161_100000761209 [0,1,0,0,0,1|2,0,0]=4 440 B13R1.513 O=C([O-])COCc1ccc(cc1)Br 34a_100000695286_100020667443 [0,1,0,0,0,1|2,0,0]=4 441 B13R1.513 O=C([O-])COCc1ccc(cc1)Cl 34a_100000211118_100020667443 [0,1,0,0,0,1|2,0,0]=4 442 B13R1.513 O=C([O-])COCc1ccc(cc1)F 34a_100000210977_100020667443 [0,1,0,0,0,1|2,0,0]=4 443 B13R1.513 O=C([O-])COCc1ccc(cc1)I 34a_100000690907_100020667443 [0,1,0,0,0,1|2,0,0]=4 444 B13R1.513 O=[N+]([O-])CNCc1ccc(cc1)Br 34a_100000174875_100000761209 [0,1,0,0,0,1|2,0,0]=4 445 B13R1.513 O=[N+]([O-])CNCc1ccc(cc1)Cl 34a_100000174871_100000761209 [0,1,0,0,0,1|2,0,0]=4 446 B13R1.513 O=[N+]([O-])CNCc1ccc(cc1)F 34a_100000174882_100000761209 [0,1,0,0,0,1|2,0,0]=4 447 B13R1.513 O=[N+]([O-])CNCc1ccc(cc1)I 34a_100016989417_100000761209 [0,1,0,0,0,1|2,0,0]=4 448 B13R1.513 O=[N+]([O-])CNCc1ccc(cc1)O 34a_100000185549_100000761209 [0,1,0,0,0,1|2,0,0]=4 449 B13R1.513 O=[N+]([O-])COCc1cc[n+](cc1)[O-] 34a_100000031831_100000761209 [0,1,0,0,0,1|2,0,0]=4 450 B13R1.513 O=[N+]([O-])COCc1ccc(cc1)Br 34a_100000695286_100000761209 [0,1,0,0,0,1|1,0,0]=3 451 B13R1.513 O=[N+]([O-])COCc1ccc(cc1)Cl 34a_100000211118_100000761209 [0,1,0,0,0,1|1,0,0]=3 452 B13R1.513 O=[N+]([O-])COCc1ccc(cc1)F 34a_100000210977_100000761209 [0,1,0,0,0,1|1,0,0]=3 453 B13R1.513 O=[N+]([O-])COCc1ccc(cc1)I 34a_100000690907_100000761209 [0,1,0,0,0,1|1,0,0]=3 454 B13R1.513 O=[N+]([O-])COCc1ccc(cn1)Br 34a_100000754261_100000761209 [0,1,0,0,0,1|2,0,0]=4 455 B13R1.513 O=[N+]([O-])COCc1ccc(cn1)Cl 34a_100000703999_100000761209 [0,1,0,0,0,1|2,0,0]=4 456 B13R1.513 O=[N+]([O-])COCc1ccc(cn1)F 34a_100011999454_100000761209 [0,1,0,0,0,1|2,0,0]=4 457 B13R1.513 O=[N+]([O-])COCc1ccc(nc1)Br 34a_100009816760_100000761209 [0,1,0,0,0,1|2,0,0]=4 458 B13R1.513 O=[N+]([O-])COCc1ccc(nc1)Cl 34a_100000755211_100000761209 [0,1,0,0,0,1|2,0,0]=4 459 B13R1.513 O=[N+]([O-])COCc1ccc(nc1)F 34a_100000079959_100000761209 [0,1,0,0,0,1|2,0,0]=4 460 B13R1.513 O=[N+]([O-])CSCc1ccc(cc1)Br 62a_100000189115_100000761209 [0,1,0,0,0,1|1,1,0]=4 461 B13R1.513 O=[N+]([O-])CSCc1ccc(cc1)Cl 62a_100000187161_100000761209 [0,1,0,0,0,1|1,1,0]=4 462 B13R1.513 O=[N+]([O-])CSCc1ccc(cc1)F 62a_100000198546_100000761209 [0,1,0,0,0,1|1,1,0]=4 463 B13R1.513 O=[N+]([O-])CSCc1ccc(cc1)I 62a_100000189116_100000761209 [0,1,0,0,0,1|1,1,0]=4 464 B13R1.513 O=c1ccc(c[nH]1)COC[N+](=O)[O-] 34a_100011999846_100000761209 [0,1,0,0,0,1|2,0,0]=4 465 B13R1.3523 O=S(=O)([O-])COCc1ccccc1 34a_100000210790_100009817235 [0,1,0,0,0,1|2,0,0]=4 466 B13R1.280 O=c1cccccc1OC[N+](=O)[O-] 34a_100000036025_100000761209 [0,1,0,0,0,1|2,0,0]=4 467 B13R1.3 C#Cc1ccc(cc1)NC[N+](=O)[O-] 34a_100011215031_100000761209 [0,2,0,0,0,0|2,0,0]=4 468 B13R1.3 C=Cc1ccc(cc1)NC[N+](=O)[O-] 34a_100011218248_100000761209 [0,2,0,0,0,0|2,0,0]=4 469 B13R1.3 C=Cc1ccc(cc1)OC[N+](=O)[O-] 34a_100000189437_100000761209 [0,2,0,0,0,0|2,0,0]=4 470 B13R1.3 C=Cc1ccc(cc1)SC[N+](=O)[O-] 62a_100000748128_100000761209 [0,2,0,0,0,0|2,0,0]=4 471 B13R1.3 CCc1ccc(cc1)NC[N+](=O)[O-] 34a_100000211069_100000761209 [0,2,0,0,0,0|2,0,0]=4 472 B13R1.3 CCc1ccc(cc1)OC[N+](=O)[O-] 34a_100000211359_100000761209 [0,2,0,0,0,0|2,0,0]=4 473 B13R1.3 CCc1ccc(cc1)SC[N+](=O)[O-] 62a_100011215824_100000761209 [0,2,0,0,0,0|2,0,0]=4 474 B13R1.3 CNc1ccc(cc1)OC[N+](=O)[O-] 34a_100000182112_100000761209 [0,2,0,0,0,0|2,0,0]=4 475 B13R1.3 CNc1ccc(cc1)SC[N+](=O)[O-] 62a_100000743151_100000761209 [0,2,0,0,0,0|2,0,0]=4 476 B13R1.3 COc1ccc(cc1)/C=C/[N+](=O)[O-] 34a_100102610870_200000210301 [0,2,0,0,0,0|2,0,0]=4 477 B13R1.3 COc1ccc(cc1)NC[N+](=O)[O-] 34a_100000184247_100000761209 [0,2,0,0,0,0|2,0,0]=4 478 B13R1.3 COc1ccc(cc1)OC[N+](=O)[O-] 34a_100000210503_100000761209 [0,2,0,0,0,0|2,0,0]=4 479 B13R1.3 CSc1ccc(cc1)NC[N+](=O)[O-] 34a_100000212337_100000761209 [0,2,0,0,0,0|2,0,0]=4 480 B13R1.3 CSc1ccc(cc1)OC[N+](=O)[O-] 34a_100000211864_100000761209 [0,2,0,0,0,0|2,0,0]=4 481 B13R1.3 CSc1ccc(cc1)SC[N+](=O)[O-] 62a_100011263217_100000761209 [0,2,0,0,0,0|2,0,0]=4 482 B13R1.3 N#Cc1ccc(cc1)NC[N+](=O)[O-] 34a_100000185469_100000761209 [0,2,0,0,0,0|2,0,0]=4 483 B13R1.3 N#Cc1ccc(cc1)OC[N+](=O)[O-] 34a_100000210344_100000761209 [0,2,0,0,0,0|2,0,0]=4 484 B13R1.3 NCc1ccc(cc1)OC[N+](=O)[O-] 34a_100000185549_100000761209 [0,2,0,0,0,0|2,0,0]=4 485 B13R1.3 NCc1ccc(cc1)SC[N+](=O)[O-] 62a_100016989417_100000761209 [0,2,0,0,0,0|2,0,0]=4 486 B13R1.3 NNc1ccc(cc1)SC[N+](=O)[O-] 62a_100016988836_100000761209 [0,2,0,0,0,0|2,0,0]=4 487 B13R1.3 O=Cc1ccc(cc1)SC[N+](=O)[O-] 62a_100000188517_100000761209 [0,2,0,0,0,0|2,0,0]=4 488 B13R1.3 O=[N+]([O-])CNc1ccc(cc1)CO 34a_100011215238_100000761209 [0,2,0,0,0,0|2,0,0]=4 489 B13R1.3 O=[N+]([O-])COc1ccc(cc1)CO 34a_100000211755_100000761209 [0,2,0,0,0,0|2,0,0]=4 490 B13R1.3 O=[N+]([O-])CSc1ccc(cc1)CF 62a_100010268989_100000761209 [0,2,0,0,0,0|2,0,0]=4 491 B13R1.3 O=[N+]([O-])CSc1ccc(cc1)CO 62a_100000690907_100000761209 [0,2,0,0,0,0|2,0,0]=4 492 B13R1.3 [13CH3]Oc1ccc(cc1)/C=C/[N+](=O)[O-] 34a_100102610870_200025704644 [0,2,0,0,0,0|2,0,0]=4 493 B13R1.132 CN(C[N+](=O)[O-])c1ccc(cc1)Br 269982a_100000219623_100000761209 [0,2,0,0,0,0|2,0,0]=4 494 B13R1.132 CN(C[N+](=O)[O-])c1ccc(cc1)Br 34a_100000219623_100000761209 [0,2,0,0,0,0|2,0,0]=4 495 B13R1.132 CN(C[N+](=O)[O-])c1ccc(cc1)Cl 269982a_100020629279_100000761209 [0,2,0,0,0,0|2,0,0]=4 496 B13R1.132 CN(C[N+](=O)[O-])c1ccc(cc1)Cl 34a_100020629279_100000761209 [0,2,0,0,0,0|2,0,0]=4 497 B13R1.132 CN(C[N+](=O)[O-])c1ccc(cc1)F 269982a_100000219829_100000761209 [0,2,0,0,0,0|2,0,0]=4 498 B13R1.132 CN(C[N+](=O)[O-])c1ccc(cc1)F 34a_100000219829_100000761209 [0,2,0,0,0,0|2,0,0]=4 499 B13R1.132 CN(C[N+](=O)[O-])c1ccc(cc1)I 269982a_100000743151_100000761209 [0,2,0,0,0,0|2,0,0]=4 500 B13R1.132 CN(C[N+](=O)[O-])c1ccc(cc1)I 34a_100000743151_100000761209 [0,2,0,0,0,0|2,0,0]=4 501 B13R1.132 CN(C[N+](=O)[O-])c1ccc(cc1)O 269982a_100000182112_100000761209 [0,2,0,0,0,0|2,0,0]=4 502 B13R1.132 CN(C[N+](=O)[O-])c1ccc(cc1)O 34a_100000182112_100000761209 [0,2,0,0,0,0|2,0,0]=4 503 B13R1.132 Cc1ccc(cc1)C(=O)C[N+](=O)[O-] 1458a_100000188618_100000761209 [0,2,0,0,0,0|2,0,0]=4 504 B13R1.132 Cc1ccc(cc1)N(C)C[N+](=O)[O-] 269982a_100000219977_100000761209 [0,2,0,0,0,0|2,0,0]=4 505 B13R1.132 Cc1ccc(cc1)N(C)C[N+](=O)[O-] 34a_100000219977_100000761209 [0,2,0,0,0,0|2,0,0]=4 506 B13R1.132 O=C(C[N+](=O)[O-])c1ccc(cc1)Br 1458a_100000185839_100000761209 [0,2,0,0,0,0|2,0,0]=4 507 B13R1.132 O=C(C[N+](=O)[O-])c1ccc(cc1)Cl 1458a_100000210187_100000761209 [0,2,0,0,0,0|2,0,0]=4 508 B13R1.132 O=C(C[N+](=O)[O-])c1ccc(cc1)F 1458a_100000187176_100000761209 [0,2,0,0,0,0|2,0,0]=4 509 B13R1.132 O=C(C[N+](=O)[O-])c1ccc(cc1)I 1458a_100000187904_100000761209 [0,2,0,0,0,0|2,0,0]=4 510 B13R1.132 O=C(C[N+](=O)[O-])c1ccc(cc1)O 1458a_100000212099_100000761209 [0,2,0,0,0,0|2,0,0]=4 511 B13R1.164 Cc1cc(ccc1NC[N+](=O)[O-])Br 34a_100000211769_100000761209 [0,2,0,0,0,0|2,0,0]=4 512 B13R1.164 Cc1cc(ccc1NC[N+](=O)[O-])Cl 34a_100000210418_100000761209 [0,2,0,0,0,0|2,0,0]=4 513 B13R1.164 Cc1cc(ccc1NC[N+](=O)[O-])F 34a_100000211637_100000761209 [0,2,0,0,0,0|2,0,0]=4 514 B13R1.164 Cc1cc(ccc1NC[N+](=O)[O-])I 34a_100000184554_100000761209 [0,2,0,0,0,0|2,0,0]=4 515 B13R1.164 Cc1cc(ccc1NC[N+](=O)[O-])O 34a_100000756630_100000761209 [0,2,0,0,0,0|2,0,0]=4 516 B13R1.164 Cc1cc(ccc1OC[N+](=O)[O-])Br 34a_100000186361_100000761209 [0,2,0,0,0,0|2,0,0]=4 517 B13R1.164 Cc1cc(ccc1OC[N+](=O)[O-])Cl 34a_100000211091_100000761209 [0,2,0,0,0,0|2,0,0]=4 518 B13R1.164 Cc1cc(ccc1OC[N+](=O)[O-])F 34a_100000764316_100000761209 [0,2,0,0,0,0|2,0,0]=4 519 B13R1.164 Cc1cc(ccc1OC[N+](=O)[O-])I 34a_100011218673_100000761209 [0,2,0,0,0,0|2,0,0]=4 520 B13R1.164 Cc1cc(ccc1OC[N+](=O)[O-])N 34a_100011218179_100000761209 [0,2,0,0,0,0|2,0,0]=4 521 B13R1.164 Cc1cc(ccc1SC[N+](=O)[O-])Br 62a_100000701812_100000761209 [0,2,0,0,0,0|2,0,0]=4 522 B13R1.164 Cc1cc(ccc1SC[N+](=O)[O-])Cl 62a_100011219607_100000761209 [0,2,0,0,0,0|2,0,0]=4 523 B13R1.164 Cc1cc(ccc1SC[N+](=O)[O-])F 62a_100011205405_100000761209 [0,2,0,0,0,0|2,0,0]=4 524 B13R1.164 Cc1cc(ccc1SC[N+](=O)[O-])N 62a_100000210723_100000761209 [0,2,0,0,0,0|2,0,0]=4 525 B13R1.164 Cc1ccc(c(c1)Br)NC[N+](=O)[O-] 34a_100000210942_100000761209 [0,2,0,0,0,0|2,0,0]=4 526 B13R1.164 Cc1ccc(c(c1)Br)OC[N+](=O)[O-] 34a_100000210800_100000761209 [0,2,0,0,0,0|2,0,0]=4 527 B13R1.164 Cc1ccc(c(c1)Br)SC[N+](=O)[O-] 62a_100009813563_100000761209 [0,2,0,0,0,0|2,0,0]=4 528 B13R1.164 Cc1ccc(c(c1)C)NC[N+](=O)[O-] 34a_100000736561_100000761209 [0,2,0,0,0,0|2,0,0]=4 529 B13R1.164 Cc1ccc(c(c1)C)OC[N+](=O)[O-] 34a_100000211776_100000761209 [0,2,0,0,0,0|2,0,0]=4 530 B13R1.164 Cc1ccc(c(c1)C)SC[N+](=O)[O-] 62a_100011217332_100000761209 [0,2,0,0,0,0|2,0,0]=4 531 B13R1.164 Cc1ccc(c(c1)Cl)NC[N+](=O)[O-] 34a_100000210522_100000761209 [0,2,0,0,0,0|2,0,0]=4 532 B13R1.164 Cc1ccc(c(c1)Cl)OC[N+](=O)[O-] 34a_100000749699_100000761209 [0,2,0,0,0,0|2,0,0]=4 533 B13R1.164 Cc1ccc(c(c1)Cl)SC[N+](=O)[O-] 62a_100011263221_100000761209 [0,2,0,0,0,0|2,0,0]=4 534 B13R1.164 Cc1ccc(c(c1)F)NC[N+](=O)[O-] 34a_100000211023_100000761209 [0,2,0,0,0,0|2,0,0]=4 535 B13R1.164 Cc1ccc(c(c1)F)OC[N+](=O)[O-] 34a_100011216688_100000761209 [0,2,0,0,0,0|2,0,0]=4 536 B13R1.164 Cc1ccc(c(c1)F)SC[N+](=O)[O-] 62a_100011216119_100000761209 [0,2,0,0,0,0|2,0,0]=4 537 B13R1.164 Cc1ccc(c(c1)I)NC[N+](=O)[O-] 34a_100011356834_100000761209 [0,2,0,0,0,0|2,0,0]=4 538 B13R1.164 Cc1ccc(c(c1)I)OC[N+](=O)[O-] 34a_100000765521_100000761209 [0,2,0,0,0,0|2,0,0]=4 539 B13R1.164 Cc1ccc(c(c1)N)OC[N+](=O)[O-] 34a_100011215204_100000761209 [0,2,0,0,0,0|2,0,0]=4 540 B13R1.164 Cc1ccc(c(c1)N)SC[N+](=O)[O-] 62a_100011216686_100000761209 [0,2,0,0,0,0|2,0,0]=4 541 B13R1.164 Cc1ccc(c(c1)O)NC[N+](=O)[O-] 34a_100000211527_100000761209 [0,2,0,0,0,0|2,0,0]=4 542 B13R1.164 Cc1ccc(c(c1)O)SC[N+](=O)[O-] 62a_100012002257_100000761209 [0,2,0,0,0,0|2,0,0]=4 543 B13R1.164 Nc1cc(ccc1OC[N+](=O)[O-])Br 34a_100000752626_100000761209 [0,2,0,0,0,0|2,0,0]=4 544 B13R1.164 Nc1cc(ccc1OC[N+](=O)[O-])Cl 34a_100000210500_100000761209 [0,2,0,0,0,0|2,0,0]=4 545 B13R1.164 Nc1cc(ccc1OC[N+](=O)[O-])F 34a_100000759472_100000761209 [0,2,0,0,0,0|2,0,0]=4 546 B13R1.164 Nc1cc(ccc1OC[N+](=O)[O-])I 34a_100000753495_100000761209 [0,2,0,0,0,0|2,0,0]=4 547 B13R1.164 Nc1cc(ccc1SC[N+](=O)[O-])Br 62a_100000743836_100000761209 [0,2,0,0,0,0|2,0,0]=4 548 B13R1.164 Nc1cc(ccc1SC[N+](=O)[O-])Cl 62a_100000761886_100000761209 [0,2,0,0,0,0|2,0,0]=4 549 B13R1.164 Nc1cc(ccc1SC[N+](=O)[O-])F 62a_100000687223_100000761209 [0,2,0,0,0,0|2,0,0]=4 550 B13R1.164 Nc1cc(ccc1SC[N+](=O)[O-])O 62a_100011999798_100000761209 [0,2,0,0,0,0|2,0,0]=4 551 B13R1.164 Nc1ccc(c(c1)Br)OC[N+](=O)[O-] 34a_100011534360_100000761209 [0,2,0,0,0,0|2,0,0]=4 552 B13R1.164 Nc1ccc(c(c1)Br)SC[N+](=O)[O-] 62a_100000750458_100000761209 [0,2,0,0,0,0|2,0,0]=4 553 B13R1.164 Nc1ccc(c(c1)Cl)OC[N+](=O)[O-] 34a_100000744943_100000761209 [0,2,0,0,0,0|2,0,0]=4 554 B13R1.164 Nc1ccc(c(c1)Cl)SC[N+](=O)[O-] 62a_100000761885_100000761209 [0,2,0,0,0,0|2,0,0]=4 555 B13R1.164 Nc1ccc(c(c1)F)OC[N+](=O)[O-] 34a_100011220035_100000761209 [0,2,0,0,0,0|2,0,0]=4 556 B13R1.164 Nc1ccc(c(c1)F)SC[N+](=O)[O-] 62a_100011356925_100000761209 [0,2,0,0,0,0|2,0,0]=4 557 B13R1.164 Nc1ccc(c(c1)N)OC[N+](=O)[O-] 34a_100000725306_100000761209 [0,2,0,0,0,0|2,0,0]=4 558 B13R1.164 Nc1ccc(c(c1)N)SC[N+](=O)[O-] 62a_200012175722_100000761209 [0,2,0,0,0,0|2,0,0]=4 559 B13R1.164 O=[N+]([O-])CNc1ccc(cc1Br)Br 34a_100000211012_100000761209 [0,2,0,0,0,0|2,0,0]=4 560 B13R1.164 O=[N+]([O-])CNc1ccc(cc1Br)Cl 34a_100000752454_100000761209 [0,2,0,0,0,0|2,0,0]=4 561 B13R1.164 O=[N+]([O-])CNc1ccc(cc1Br)F 34a_100000738039_100000761209 [0,2,0,0,0,0|2,0,0]=4 562 B13R1.164 O=[N+]([O-])CNc1ccc(cc1Br)O 34a_100012001276_100000761209 [0,2,0,0,0,0|2,0,0]=4 563 B13R1.164 O=[N+]([O-])CNc1ccc(cc1Cl)Br 34a_100000211467_100000761209 [0,2,0,0,0,0|2,0,0]=4 564 B13R1.164 O=[N+]([O-])CNc1ccc(cc1Cl)Cl 34a_100000185861_100000761209 [0,2,0,0,0,0|2,0,0]=4 565 B13R1.164 O=[N+]([O-])CNc1ccc(cc1Cl)F 34a_100000212003_100000761209 [0,2,0,0,0,0|2,0,0]=4 566 B13R1.164 O=[N+]([O-])CNc1ccc(cc1Cl)I 34a_100011218065_100000761209 [0,2,0,0,0,0|2,0,0]=4 567 B13R1.164 O=[N+]([O-])CNc1ccc(cc1Cl)O 34a_100011215599_100000761209 [0,2,0,0,0,0|2,0,0]=4 568 B13R1.164 O=[N+]([O-])CNc1ccc(cc1F)Br 34a_100000210722_100000761209 [0,2,0,0,0,0|2,0,0]=4 569 B13R1.164 O=[N+]([O-])CNc1ccc(cc1F)Cl 34a_100000211020_100000761209 [0,2,0,0,0,0|2,0,0]=4 570 B13R1.164 O=[N+]([O-])CNc1ccc(cc1F)F 34a_100000210720_100000761209 [0,2,0,0,0,0|2,0,0]=4 571 B13R1.164 O=[N+]([O-])CNc1ccc(cc1F)I 34a_100011215594_100000761209 [0,2,0,0,0,0|2,0,0]=4 572 B13R1.164 O=[N+]([O-])CNc1ccc(cc1F)O 34a_100000759473_100000761209 [0,2,0,0,0,0|2,0,0]=4 573 B13R1.164 O=[N+]([O-])CNc1ccc(cc1I)Br 34a_100000187925_100000761209 [0,2,0,0,0,0|2,0,0]=4 574 B13R1.164 O=[N+]([O-])CNc1ccc(cc1I)Cl 34a_100000761889_100000761209 [0,2,0,0,0,0|2,0,0]=4 575 B13R1.164 O=[N+]([O-])CNc1ccc(cc1I)F 34a_100000760547_100000761209 [0,2,0,0,0,0|2,0,0]=4 576 B13R1.164 O=[N+]([O-])CNc1ccc(cc1I)O 34a_100010084370_100000761209 [0,2,0,0,0,0|2,0,0]=4 577 B13R1.164 O=[N+]([O-])CNc1ccc(cc1O)Br 34a_100000739049_100000761209 [0,2,0,0,0,0|2,0,0]=4 578 B13R1.164 O=[N+]([O-])CNc1ccc(cc1O)Cl 34a_100000185728_100000761209 [0,2,0,0,0,0|2,0,0]=4 579 B13R1.164 O=[N+]([O-])CNc1ccc(cc1O)F 34a_100000753323_100000761209 [0,2,0,0,0,0|2,0,0]=4 580 B13R1.164 O=[N+]([O-])CNc1ccc(cc1O)O 34a_100000106777_100000761209 [0,2,0,0,0,0|2,0,0]=4 581 B13R1.164 O=[N+]([O-])COc1ccc(cc1Br)Br 34a_100000188717_100000761209 [0,2,0,0,0,0|2,0,0]=4 582 B13R1.164 O=[N+]([O-])COc1ccc(cc1Br)Cl 34a_100000211998_100000761209 [0,2,0,0,0,0|2,0,0]=4 583 B13R1.164 O=[N+]([O-])COc1ccc(cc1Br)F 34a_100000211999_100000761209 [0,2,0,0,0,0|2,0,0]=4 584 B13R1.164 O=[N+]([O-])COc1ccc(cc1Br)I 34a_100012361655_100000761209 [0,2,0,0,0,0|2,0,0]=4 585 B13R1.164 O=[N+]([O-])COc1ccc(cc1Cl)Br 34a_100000186472_100000761209 [0,2,0,0,0,0|2,0,0]=4 586 B13R1.164 O=[N+]([O-])COc1ccc(cc1Cl)Cl 34a_100015191787_100000761209 [0,2,0,0,0,0|2,0,0]=4 587 B13R1.164 O=[N+]([O-])COc1ccc(cc1Cl)F 34a_100000212004_100000761209 [0,2,0,0,0,0|2,0,0]=4 588 B13R1.164 O=[N+]([O-])COc1ccc(cc1Cl)I 34a_100012360047_100000761209 [0,2,0,0,0,0|2,0,0]=4 589 B13R1.164 O=[N+]([O-])COc1ccc(cc1F)Br 34a_100000185481_100000761209 [0,2,0,0,0,0|2,0,0]=4 590 B13R1.164 O=[N+]([O-])COc1ccc(cc1F)Cl 34a_100000230166_100000761209 [0,2,0,0,0,0|2,0,0]=4 591 B13R1.164 O=[N+]([O-])COc1ccc(cc1F)F 34a_100000230127_100000761209 [0,2,0,0,0,0|2,0,0]=4 592 B13R1.164 O=[N+]([O-])COc1ccc(cc1F)I 34a_100011356965_100000761209 [0,2,0,0,0,0|2,0,0]=4 593 B13R1.164 O=[N+]([O-])COc1ccc(cc1I)Br 34a_100012355227_100000761209 [0,2,0,0,0,0|2,0,0]=4 594 B13R1.164 O=[N+]([O-])COc1ccc(cc1I)Cl 34a_100011356953_100000761209 [0,2,0,0,0,0|2,0,0]=4 595 B13R1.164 O=[N+]([O-])COc1ccc(cc1I)F 34a_100012355409_100000761209 [0,2,0,0,0,0|2,0,0]=4 596 B13R1.164 O=[N+]([O-])CSc1ccc(cc1Br)Br 62a_100011484698_100000761209 [0,2,0,0,0,0|2,0,0]=4 597 B13R1.164 O=[N+]([O-])CSc1ccc(cc1Br)Cl 62a_100011219703_100000761209 [0,2,0,0,0,0|2,0,0]=4 598 B13R1.164 O=[N+]([O-])CSc1ccc(cc1Br)F 62a_100011217111_100000761209 [0,2,0,0,0,0|2,0,0]=4 599 B13R1.164 O=[N+]([O-])CSc1ccc(cc1Br)O 62a_100000701344_100000761209 [0,2,0,0,0,0|2,0,0]=4 600 B13R1.164 O=[N+]([O-])CSc1ccc(cc1Cl)Br 62a_100011216062_100000761209 [0,2,0,0,0,0|2,0,0]=4 601 B13R1.164 O=[N+]([O-])CSc1ccc(cc1Cl)Cl 62a_100000699841_100000761209 [0,2,0,0,0,0|2,0,0]=4 602 B13R1.164 O=[N+]([O-])CSc1ccc(cc1Cl)F 62a_100000733362_100000761209 [0,2,0,0,0,0|2,0,0]=4 603 B13R1.164 O=[N+]([O-])CSc1ccc(cc1Cl)O 62a_100000047559_100000761209 [0,2,0,0,0,0|2,0,0]=4 604 B13R1.164 O=[N+]([O-])CSc1ccc(cc1F)Br 62a_100009814013_100000761209 [0,2,0,0,0,0|2,0,0]=4 605 B13R1.164 O=[N+]([O-])CSc1ccc(cc1F)Cl 62a_100011216042_100000761209 [0,2,0,0,0,0|2,0,0]=4 606 B13R1.164 O=[N+]([O-])CSc1ccc(cc1F)F 62a_100000750030_100000761209 [0,2,0,0,0,0|2,0,0]=4 607 B13R1.164 O=[N+]([O-])CSc1ccc(cc1F)O 62a_100000755031_100000761209 [0,2,0,0,0,0|2,0,0]=4 608 B13R1.164 O=[N+]([O-])CSc1ccc(cc1O)Br 62a_100012344904_100000761209 [0,2,0,0,0,0|2,0,0]=4 609 B13R1.164 O=[N+]([O-])CSc1ccc(cc1O)Cl 62a_100000050036_100000761209 [0,2,0,0,0,0|2,0,0]=4 610 B13R1.164 O=[N+]([O-])CSc1ccc(cc1O)F 62a_100000690578_100000761209 [0,2,0,0,0,0|2,0,0]=4 611 B13R1.511 Cc1cc(ccc1Br)NC[N+](=O)[O-] 34a_100000210723_100000761209 [0,2,0,0,0,0|2,0,0]=4 612 B13R1.511 Cc1cc(ccc1Br)OC[N+](=O)[O-] 34a_100000690111_100000761209 [0,2,0,0,0,0|2,0,0]=4 613 B13R1.511 Cc1cc(ccc1Br)SC[N+](=O)[O-] 62a_100009813585_100000761209 [0,2,0,0,0,0|2,0,0]=4 614 B13R1.511 Cc1cc(ccc1Cl)NC[N+](=O)[O-] 34a_100000187808_100000761209 [0,2,0,0,0,0|2,0,0]=4 615 B13R1.511 Cc1cc(ccc1Cl)OC[N+](=O)[O-] 34a_100000211092_100000761209 [0,2,0,0,0,0|2,0,0]=4 616 B13R1.511 Cc1cc(ccc1Cl)SC[N+](=O)[O-] 62a_100000049509_100000761209 [0,2,0,0,0,0|2,0,0]=4 617 B13R1.511 Cc1cc(ccc1F)NC[N+](=O)[O-] 34a_100000750164_100000761209 [0,2,0,0,0,0|2,0,0]=4 618 B13R1.511 Cc1cc(ccc1F)OC[N+](=O)[O-] 34a_100000751312_100000761209 [0,2,0,0,0,0|2,0,0]=4 619 B13R1.511 Cc1cc(ccc1F)SC[N+](=O)[O-] 62a_100011218330_100000761209 [0,2,0,0,0,0|2,0,0]=4 620 B13R1.511 Cc1cc(ccc1I)NC[N+](=O)[O-] 34a_100000198070_100000761209 [0,2,0,0,0,0|2,0,0]=4 621 B13R1.511 Cc1cc(ccc1I)OC[N+](=O)[O-] 34a_100000729255_100000761209 [0,2,0,0,0,0|2,0,0]=4 622 B13R1.511 Cc1cc(ccc1N)OC[N+](=O)[O-] 34a_100000756630_100000761209 [0,2,0,0,0,0|2,0,0]=4 623 B13R1.511 Cc1cc(ccc1N)SC[N+](=O)[O-] 62a_100000211769_100000761209 [0,2,0,0,0,0|2,0,0]=4 624 B13R1.511 Cc1cc(ccc1O)NC[N+](=O)[O-] 34a_100011218179_100000761209 [0,2,0,0,0,0|2,0,0]=4 625 B13R1.511 Cc1ccc(cc1Br)NC[N+](=O)[O-] 34a_100000736455_100000761209 [0,2,0,0,0,0|2,0,0]=4 626 B13R1.511 Cc1ccc(cc1Br)OC[N+](=O)[O-] 34a_100011380479_100000761209 [0,2,0,0,0,0|2,0,0]=4 627 B13R1.511 Cc1ccc(cc1Br)SC[N+](=O)[O-] 62a_100011847877_100000761209 [0,2,0,0,0,0|2,0,0]=4 628 B13R1.511 Cc1ccc(cc1C)NC[N+](=O)[O-] 34a_100000724040_100000761209 [0,2,0,0,0,0|2,0,0]=4 629 B13R1.511 Cc1ccc(cc1C)OC[N+](=O)[O-] 34a_100000210932_100000761209 [0,2,0,0,0,0|2,0,0]=4 630 B13R1.511 Cc1ccc(cc1C)SC[N+](=O)[O-] 62a_100011215607_100000761209 [0,2,0,0,0,0|2,0,0]=4 631 B13R1.511 Cc1ccc(cc1Cl)NC[N+](=O)[O-] 34a_100000188892_100000761209 [0,2,0,0,0,0|2,0,0]=4 632 B13R1.511 Cc1ccc(cc1Cl)OC[N+](=O)[O-] 34a_100011265682_100000761209 [0,2,0,0,0,0|2,0,0]=4 633 B13R1.511 Cc1ccc(cc1Cl)SC[N+](=O)[O-] 62a_100011216363_100000761209 [0,2,0,0,0,0|2,0,0]=4 634 B13R1.511 Cc1ccc(cc1F)NC[N+](=O)[O-] 34a_100000210958_100000761209 [0,2,0,0,0,0|2,0,0]=4 635 B13R1.511 Cc1ccc(cc1F)OC[N+](=O)[O-] 34a_100000722560_100000761209 [0,2,0,0,0,0|2,0,0]=4 636 B13R1.511 Cc1ccc(cc1F)SC[N+](=O)[O-] 62a_100000720648_100000761209 [0,2,0,0,0,0|2,0,0]=4 637 B13R1.511 Cc1ccc(cc1I)NC[N+](=O)[O-] 34a_100000184131_100000761209 [0,2,0,0,0,0|2,0,0]=4 638 B13R1.511 Cc1ccc(cc1N)OC[N+](=O)[O-] 34a_100011216113_100000761209 [0,2,0,0,0,0|2,0,0]=4 639 B13R1.511 Cc1ccc(cc1N)SC[N+](=O)[O-] 62a_100000761890_100000761209 [0,2,0,0,0,0|2,0,0]=4 640 B13R1.511 Cc1ccc(cc1O)NC[N+](=O)[O-] 34a_100000759471_100000761209 [0,2,0,0,0,0|2,0,0]=4 641 B13R1.511 Cc1ccc(cc1O)SC[N+](=O)[O-] 62a_100000685420_100000761209 [0,2,0,0,0,0|2,0,0]=4 642 B13R1.511 Nc1cc(ccc1Br)OC[N+](=O)[O-] 34a_100011999798_100000761209 [0,2,0,0,0,0|2,0,0]=4 643 B13R1.511 Nc1cc(ccc1Br)SC[N+](=O)[O-] 62a_100000750456_100000761209 [0,2,0,0,0,0|2,0,0]=4 644 B13R1.511 Nc1cc(ccc1Cl)OC[N+](=O)[O-] 34a_100011934297_100000761209 [0,2,0,0,0,0|2,0,0]=4 645 B13R1.511 Nc1cc(ccc1Cl)SC[N+](=O)[O-] 62a_200000761891_100000761209 [0,2,0,0,0,0|2,0,0]=4 646 B13R1.511 Nc1cc(ccc1F)OC[N+](=O)[O-] 34a_100012017239_100000761209 [0,2,0,0,0,0|2,0,0]=4 647 B13R1.511 Nc1cc(ccc1F)SC[N+](=O)[O-] 62a_100000740924_100000761209 [0,2,0,0,0,0|2,0,0]=4 648 B13R1.511 Nc1cc(ccc1O)SC[N+](=O)[O-] 62a_100000752626_100000761209 [0,2,0,0,0,0|2,0,0]=4 649 B13R1.511 Nc1ccc(cc1Br)OC[N+](=O)[O-] 34a_100012001276_100000761209 [0,2,0,0,0,0|2,0,0]=4 650 B13R1.511 Nc1ccc(cc1Br)SC[N+](=O)[O-] 62a_100000750455_100000761209 [0,2,0,0,0,0|2,0,0]=4 651 B13R1.511 Nc1ccc(cc1Cl)OC[N+](=O)[O-] 34a_100011215599_100000761209 [0,2,0,0,0,0|2,0,0]=4 652 B13R1.511 Nc1ccc(cc1Cl)SC[N+](=O)[O-] 62a_100011218065_100000761209 [0,2,0,0,0,0|2,0,0]=4 653 B13R1.511 Nc1ccc(cc1F)OC[N+](=O)[O-] 34a_100000759473_100000761209 [0,2,0,0,0,0|2,0,0]=4 654 B13R1.511 Nc1ccc(cc1F)SC[N+](=O)[O-] 62a_100011215594_100000761209 [0,2,0,0,0,0|2,0,0]=4 655 B13R1.511 Nc1ccc(cc1I)OC[N+](=O)[O-] 34a_100010084370_100000761209 [0,2,0,0,0,0|2,0,0]=4 656 B13R1.511 Nc1ccc(cc1N)OC[N+](=O)[O-] 34a_100025771000_100000761209 [0,2,0,0,0,0|2,0,0]=4 657 B13R1.511 Nc1ccc(cc1N)SC[N+](=O)[O-] 62a_100000741789_100000761209 [0,2,0,0,0,0|2,0,0]=4 658 B13R1.511 Nc1ccc(cc1O)SC[N+](=O)[O-] 62a_100000739049_100000761209 [0,2,0,0,0,0|2,0,0]=4 659 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)Br)Br 34a_100011306057_100000761209 [0,2,0,0,0,0|2,0,0]=4 660 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)Br)Cl 34a_100000686031_100000761209 [0,2,0,0,0,0|2,0,0]=4 661 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)Br)F 34a_100000760356_100000761209 [0,2,0,0,0,0|2,0,0]=4 662 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)Br)I 34a_100000750458_100000761209 [0,2,0,0,0,0|2,0,0]=4 663 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)Br)O 34a_100011534360_100000761209 [0,2,0,0,0,0|2,0,0]=4 664 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)Cl)Br 34a_100000687081_100000761209 [0,2,0,0,0,0|2,0,0]=4 665 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)Cl)Cl 34a_100000184108_100000761209 [0,2,0,0,0,0|2,0,0]=4 666 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)Cl)F 34a_100000211060_100000761209 [0,2,0,0,0,0|2,0,0]=4 667 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)Cl)I 34a_100000761885_100000761209 [0,2,0,0,0,0|2,0,0]=4 668 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)Cl)O 34a_100000744943_100000761209 [0,2,0,0,0,0|2,0,0]=4 669 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)F)Br 34a_100000759894_100000761209 [0,2,0,0,0,0|2,0,0]=4 670 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)F)Cl 34a_100000739366_100000761209 [0,2,0,0,0,0|2,0,0]=4 671 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)F)F 34a_100000210724_100000761209 [0,2,0,0,0,0|2,0,0]=4 672 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)F)I 34a_100011356925_100000761209 [0,2,0,0,0,0|2,0,0]=4 673 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)F)O 34a_100011220035_100000761209 [0,2,0,0,0,0|2,0,0]=4 674 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)I)Br 34a_100000750459_100000761209 [0,2,0,0,0,0|2,0,0]=4 675 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)I)Cl 34a_100012360549_100000761209 [0,2,0,0,0,0|2,0,0]=4 676 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)I)F 34a_114828291077_100000761209 [0,2,0,0,0,0|2,0,0]=4 677 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)O)Cl 34a_100011934209_100000761209 [0,2,0,0,0,0|2,0,0]=4 678 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)O)F 34a_100012017398_100000761209 [0,2,0,0,0,0|2,0,0]=4 679 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)O)O 34a_100102946323_100000761209 [0,2,0,0,0,0|2,0,0]=4 680 B13R1.511 O=[N+]([O-])COc1ccc(c(c1)Br)Cl 34a_100011933957_100000761209 [0,2,0,0,0,0|2,0,0]=4 681 B13R1.511 O=[N+]([O-])COc1ccc(c(c1)Br)F 34a_100000693481_100000761209 [0,2,0,0,0,0|2,0,0]=4 682 B13R1.511 O=[N+]([O-])COc1ccc(c(c1)Br)I 34a_100000701344_100000761209 [0,2,0,0,0,0|2,0,0]=4 683 B13R1.511 O=[N+]([O-])COc1ccc(c(c1)Cl)Br 34a_100011215161_100000761209 [0,2,0,0,0,0|2,0,0]=4 684 B13R1.511 O=[N+]([O-])COc1ccc(c(c1)Cl)Cl 34a_100000211054_100000761209 [0,2,0,0,0,0|2,0,0]=4 685 B13R1.511 O=[N+]([O-])COc1ccc(c(c1)Cl)F 34a_100000211030_100000761209 [0,2,0,0,0,0|2,0,0]=4 686 B13R1.511 O=[N+]([O-])COc1ccc(c(c1)Cl)I 34a_100000047559_100000761209 [0,2,0,0,0,0|2,0,0]=4 687 B13R1.511 O=[N+]([O-])COc1ccc(c(c1)F)Br 34a_100000755031_100000761209 [0,2,0,0,0,0|2,0,0]=4 688 B13R1.511 O=[N+]([O-])COc1ccc(c(c1)F)Cl 34a_100000691581_100000761209 [0,2,0,0,0,0|2,0,0]=4 689 B13R1.511 O=[N+]([O-])COc1ccc(c(c1)F)F 34a_100000181275_100000761209 [0,2,0,0,0,0|2,0,0]=4 690 B13R1.511 O=[N+]([O-])COc1ccc(c(c1)F)I 34a_100009990212_100000761209 [0,2,0,0,0,0|2,0,0]=4 691 B13R1.511 O=[N+]([O-])COc1ccc(c(c1)I)Br 34a_100012339312_100000761209 [0,2,0,0,0,0|2,0,0]=4 692 B13R1.511 O=[N+]([O-])COc1ccc(c(c1)I)Cl 34a_100000049588_100000761209 [0,2,0,0,0,0|2,0,0]=4 693 B13R1.511 O=[N+]([O-])CSc1ccc(c(c1)Br)Br 62a_100012356285_100000761209 [0,2,0,0,0,0|2,0,0]=4 694 B13R1.511 O=[N+]([O-])CSc1ccc(c(c1)Br)Cl 62a_100012353702_100000761209 [0,2,0,0,0,0|2,0,0]=4 695 B13R1.511 O=[N+]([O-])CSc1ccc(c(c1)Br)F 62a_100012047266_100000761209 [0,2,0,0,0,0|2,0,0]=4 696 B13R1.511 O=[N+]([O-])CSc1ccc(c(c1)Br)O 62a_100012361655_100000761209 [0,2,0,0,0,0|2,0,0]=4 697 B13R1.511 O=[N+]([O-])CSc1ccc(c(c1)Cl)Br 62a_100012047281_100000761209 [0,2,0,0,0,0|2,0,0]=4 698 B13R1.511 O=[N+]([O-])CSc1ccc(c(c1)Cl)Cl 62a_100011214914_100000761209 [0,2,0,0,0,0|2,0,0]=4 699 B13R1.511 O=[N+]([O-])CSc1ccc(c(c1)Cl)F 62a_100011215976_100000761209 [0,2,0,0,0,0|2,0,0]=4 700 B13R1.511 O=[N+]([O-])CSc1ccc(c(c1)Cl)O 62a_100012360047_100000761209 [0,2,0,0,0,0|2,0,0]=4 701 B13R1.511 O=[N+]([O-])CSc1ccc(c(c1)F)Br 62a_100000685389_100000761209 [0,2,0,0,0,0|2,0,0]=4 702 B13R1.511 O=[N+]([O-])CSc1ccc(c(c1)F)Cl 62a_100011216805_100000761209 [0,2,0,0,0,0|2,0,0]=4 703 B13R1.511 O=[N+]([O-])CSc1ccc(c(c1)F)F 62a_100000703953_100000761209 [0,2,0,0,0,0|2,0,0]=4 704 B13R1.511 O=[N+]([O-])CSc1ccc(c(c1)F)O 62a_100000185481_100000761209 [0,2,0,0,0,0|2,0,0]=4 705 B13R1.511 O=[N+]([O-])CSc1ccc(c(c1)O)Br 62a_100012356990_100000761209 [0,2,0,0,0,0|2,0,0]=4 706 B13R1.511 O=[N+]([O-])CSc1ccc(c(c1)O)Cl 62a_100011356854_100000761209 [0,2,0,0,0,0|2,0,0]=4 707 B13R1.511 O=[N+]([O-])CSc1ccc(c(c1)O)F 62a_100000686035_100000761209 [0,2,0,0,0,0|2,0,0]=4 708 B13R1.1073 CC(C)(Sc1ccccc1)[N+](=O)[O-] 62a_100000719477_200009813997 [0,2,0,0,0,0|2,0,0]=4 709 B13R1.1073 CC(C)(Sc1ccccc1)[N+](=O)[O-] 62a_200009813997_100000041952 [0,2,0,0,0,0|2,0,0]=4 710 B13R1.147 CN(C[N+](=O)[O-])c1cccc(c1)Br 269982a_100000219648_100000761209 [0,2,0,0,0,0|2,0,0]=4 711 B13R1.147 CN(C[N+](=O)[O-])c1cccc(c1)Br 34a_100000219648_100000761209 [0,2,0,0,0,0|2,0,0]=4 712 B13R1.147 CN(C[N+](=O)[O-])c1cccc(c1)Cl 269982a_100000220044_100000761209 [0,2,0,0,0,0|2,0,0]=4 713 B13R1.147 CN(C[N+](=O)[O-])c1cccc(c1)Cl 34a_100000220044_100000761209 [0,2,0,0,0,0|2,0,0]=4 714 B13R1.147 CN(C[N+](=O)[O-])c1cccc(c1)F 269982a_100020633736_100000761209 [0,2,0,0,0,0|2,0,0]=4 715 B13R1.147 CN(C[N+](=O)[O-])c1cccc(c1)F 34a_100020633736_100000761209 [0,2,0,0,0,0|2,0,0]=4 716 B13R1.147 CN(C[N+](=O)[O-])c1cccc(c1)I 269982a_100000221217_100000761209 [0,2,0,0,0,0|2,0,0]=4 717 B13R1.147 CN(C[N+](=O)[O-])c1cccc(c1)I 34a_100000221217_100000761209 [0,2,0,0,0,0|2,0,0]=4 718 B13R1.147 CN(C[N+](=O)[O-])c1cccc(c1)O 269982a_100000756613_100000761209 [0,2,0,0,0,0|2,0,0]=4 719 B13R1.147 CN(C[N+](=O)[O-])c1cccc(c1)O 34a_100000756613_100000761209 [0,2,0,0,0,0|2,0,0]=4 720 B13R1.147 Cc1cccc(c1)C(=O)C[N+](=O)[O-] 1458a_100000189346_100000761209 [0,2,0,0,0,0|2,0,0]=4 721 B13R1.147 Cc1cccc(c1)N(C)C[N+](=O)[O-] 269982a_100000219674_100000761209 [0,2,0,0,0,0|2,0,0]=4 722 B13R1.147 Cc1cccc(c1)N(C)C[N+](=O)[O-] 34a_100000219674_100000761209 [0,2,0,0,0,0|2,0,0]=4 723 B13R1.147 O=C(C[N+](=O)[O-])c1cccc(c1)Br 1458a_100000210664_100000761209 [0,2,0,0,0,0|2,0,0]=4 724 B13R1.147 O=C(C[N+](=O)[O-])c1cccc(c1)Cl 1458a_100000210390_100000761209 [0,2,0,0,0,0|2,0,0]=4 725 B13R1.147 O=C(C[N+](=O)[O-])c1cccc(c1)F 1458a_100000210950_100000761209 [0,2,0,0,0,0|2,0,0]=4 726 B13R1.147 O=C(C[N+](=O)[O-])c1cccc(c1)I 1458a_100000184098_100000761209 [0,2,0,0,0,0|2,0,0]=4 727 B13R1.147 O=C(C[N+](=O)[O-])c1cccc(c1)O 1458a_100000183914_100000761209 [0,2,0,0,0,0|2,0,0]=4 728 B13R1.201 CN(C[N+](=O)[O-])c1ccccc1Br 269982a_100020606079_100000761209 [0,2,0,0,0,0|2,0,0]=4 729 B13R1.201 CN(C[N+](=O)[O-])c1ccccc1Br 34a_100020606079_100000761209 [0,2,0,0,0,0|2,0,0]=4 730 B13R1.201 CN(C[N+](=O)[O-])c1ccccc1Cl 269982a_100000219374_100000761209 [0,2,0,0,0,0|2,0,0]=4 731 B13R1.201 CN(C[N+](=O)[O-])c1ccccc1Cl 34a_100000219374_100000761209 [0,2,0,0,0,0|2,0,0]=4 732 B13R1.201 CN(C[N+](=O)[O-])c1ccccc1F 269982a_100000220357_100000761209 [0,2,0,0,0,0|2,0,0]=4 733 B13R1.201 CN(C[N+](=O)[O-])c1ccccc1F 34a_100000220357_100000761209 [0,2,0,0,0,0|2,0,0]=4 734 B13R1.201 CN(C[N+](=O)[O-])c1ccccc1F 38a_100000220357_100000761209 [0,2,0,0,0,0|2,0,0]=4 735 B13R1.201 CN(C[N+](=O)[O-])c1ccccc1O 269982a_100000033821_100000761209 [0,2,0,0,0,0|2,0,0]=4 736 B13R1.201 Cc1ccccc1C(=O)C[N+](=O)[O-] 1458a_100000212026_100000761209 [0,2,0,0,0,0|2,0,0]=4 737 B13R1.201 Cc1ccccc1N(C)C[N+](=O)[O-] 269982a_100000219699_100000761209 [0,2,0,0,0,0|2,0,0]=4 738 B13R1.201 Cc1ccccc1N(C)C[N+](=O)[O-] 34a_100000219699_100000761209 [0,2,0,0,0,0|2,0,0]=4 739 B13R1.201 O=C(C[N+](=O)[O-])c1ccccc1Br 1458a_100000188424_100000761209 [0,2,0,0,0,0|2,0,0]=4 740 B13R1.201 O=C(C[N+](=O)[O-])c1ccccc1Cl 1458a_100000185844_100000761209 [0,2,0,0,0,0|2,0,0]=4 741 B13R1.201 O=C(C[N+](=O)[O-])c1ccccc1F 1458a_100000188656_100000761209 [0,2,0,0,0,0|2,0,0]=4 742 B13R1.201 O=C(C[N+](=O)[O-])c1ccccc1I 1458a_100000187884_100000761209 [0,2,0,0,0,0|2,0,0]=4 743 B13R1.201 O=C(C[N+](=O)[O-])c1ccccc1O 1458a_100015234032_100000761209 [0,2,0,0,0,0|2,0,0]=4 744 B13R1.201 O=C(C[N+](=O)[O-])c1ccccc1[O-] 1458a_100009911694_100000761209 [0,2,0,0,0,0|2,0,0]=4 745 B13R1.713 CCN(C[N+](=O)[O-])c1ccccc1 269982a_100000210013_100000761209 [0,2,0,0,0,0|2,0,0]=4 746 B13R1.713 CCN(C[N+](=O)[O-])c1ccccc1 34a_100000210013_100000761209 [0,2,0,0,0,0|2,0,0]=4 747 B13R1.90 C#Cc1ccccc1NC[N+](=O)[O-] 34a_100011470550_100000761209 [0,2,0,0,0,0|2,0,0]=4 748 B13R1.90 C#Cc1ccccc1OC[N+](=O)[O-] 34a_200011470546_100000761209 [0,2,0,0,0,0|2,0,0]=4 749 B13R1.90 C=Cc1ccccc1NC[N+](=O)[O-] 34a_100012022501_100000761209 [0,2,0,0,0,0|2,0,0]=4 750 B13R1.90 C=Cc1ccccc1SC[N+](=O)[O-] 62a_100011218376_100000761209 [0,2,0,0,0,0|2,0,0]=4 751 B13R1.90 CCc1ccccc1NC[N+](=O)[O-] 34a_100000212081_100000761209 [0,2,0,0,0,0|2,0,0]=4 752 B13R1.90 CCc1ccccc1OC[N+](=O)[O-] 34a_100000210936_100000761209 [0,2,0,0,0,0|2,0,0]=4 753 B13R1.90 CCc1ccccc1SC[N+](=O)[O-] 62a_100011215823_100000761209 [0,2,0,0,0,0|2,0,0]=4 754 B13R1.90 CNc1ccccc1OC[N+](=O)[O-] 34a_100000033821_100000761209 [0,2,0,0,0,0|2,0,0]=4 755 B13R1.90 CNc1ccccc1SC[N+](=O)[O-] 62a_100020606079_100000761209 [0,2,0,0,0,0|2,0,0]=4 756 B13R1.90 COc1ccccc1NC[N+](=O)[O-] 34a_100000210025_100000761209 [0,2,0,0,0,0|2,0,0]=4 757 B13R1.90 COc1ccccc1OC[N+](=O)[O-] 34a_100000210385_100000761209 [0,2,0,0,0,0|2,0,0]=4 758 B13R1.90 COc1ccccc1SC[N+](=O)[O-] 62a_100000210334_100000761209 [0,2,0,0,0,0|2,0,0]=4 759 B13R1.90 CSc1ccccc1NC[N+](=O)[O-] 34a_100000211160_100000761209 [0,2,0,0,0,0|2,0,0]=4 760 B13R1.90 CSc1ccccc1OC[N+](=O)[O-] 34a_100011216402_100000761209 [0,2,0,0,0,0|2,0,0]=4 761 B13R1.90 CSc1ccccc1SC[N+](=O)[O-] 62a_100011217816_100000761209 [0,2,0,0,0,0|2,0,0]=4 762 B13R1.90 N#Cc1ccccc1NC[N+](=O)[O-] 34a_100000211148_100000761209 [0,2,0,0,0,0|2,0,0]=4 763 B13R1.90 N#Cc1ccccc1OC[N+](=O)[O-] 34a_100000211048_100000761209 [0,2,0,0,0,0|2,0,0]=4 764 B13R1.90 NCc1ccccc1OC[N+](=O)[O-] 34a_100000185550_100000761209 [0,2,0,0,0,0|2,0,0]=4 765 B13R1.90 NCc1ccccc1SC[N+](=O)[O-] 62a_100000689332_100000761209 [0,2,0,0,0,0|2,0,0]=4 766 B13R1.90 NNc1ccccc1SC[N+](=O)[O-] 62a_100000241748_100000761209 [0,2,0,0,0,0|2,0,0]=4 767 B13R1.90 O=Cc1ccccc1SC[N+](=O)[O-] 62a_100000210073_100000761209 [0,2,0,0,0,0|2,0,0]=4 768 B13R1.90 O=[N+]([O-])CNc1ccccc1CO 34a_100000212039_100000761209 [0,2,0,0,0,0|2,0,0]=4 769 B13R1.90 O=[N+]([O-])COc1ccccc1CO 34a_100011216872_100000761209 [0,2,0,0,0,0|2,0,0]=4 770 B13R1.90 O=[N+]([O-])CSc1ccccc1CO 62a_100000187465_100000761209 [0,2,0,0,0,0|2,0,0]=4 771 B13R1.150 Cc1c(cccc1NC[N+](=O)[O-])Br 34a_100000750434_100000761209 [0,2,0,0,0,0|2,0,0]=4 772 B13R1.150 Cc1c(cccc1NC[N+](=O)[O-])Cl 34a_100000210441_100000761209 [0,2,0,0,0,0|2,0,0]=4 773 B13R1.150 Cc1c(cccc1NC[N+](=O)[O-])F 34a_100000745574_100000761209 [0,2,0,0,0,0|2,0,0]=4 774 B13R1.150 Cc1c(cccc1NC[N+](=O)[O-])I 34a_100000761887_100000761209 [0,2,0,0,0,0|2,0,0]=4 775 B13R1.150 Cc1c(cccc1NC[N+](=O)[O-])O 34a_100011216573_100000761209 [0,2,0,0,0,0|2,0,0]=4 776 B13R1.150 Cc1c(cccc1OC[N+](=O)[O-])Br 34a_100012002258_100000761209 [0,2,0,0,0,0|2,0,0]=4 777 B13R1.150 Cc1c(cccc1OC[N+](=O)[O-])Cl 34a_100011265684_100000761209 [0,2,0,0,0,0|2,0,0]=4 778 B13R1.150 Cc1c(cccc1OC[N+](=O)[O-])F 34a_100011217231_100000761209 [0,2,0,0,0,0|2,0,0]=4 779 B13R1.150 Cc1c(cccc1OC[N+](=O)[O-])N 34a_100011216573_100000761209 [0,2,0,0,0,0|2,0,0]=4 780 B13R1.150 Cc1c(cccc1SC[N+](=O)[O-])Br 62a_100012353703_100000761209 [0,2,0,0,0,0|2,0,0]=4 781 B13R1.150 Cc1c(cccc1SC[N+](=O)[O-])Cl 62a_100000726075_100000761209 [0,2,0,0,0,0|2,0,0]=4 782 B13R1.150 Cc1c(cccc1SC[N+](=O)[O-])F 62a_100011216893_100000761209 [0,2,0,0,0,0|2,0,0]=4 783 B13R1.150 Cc1c(cccc1SC[N+](=O)[O-])N 62a_100000761887_100000761209 [0,2,0,0,0,0|2,0,0]=4 784 B13R1.150 Cc1c(cccc1SC[N+](=O)[O-])O 62a_100012002258_100000761209 [0,2,0,0,0,0|2,0,0]=4 785 B13R1.150 Cc1cccc(c1Br)NC[N+](=O)[O-] 34a_100000684715_100000761209 [0,2,0,0,0,0|2,0,0]=4 786 B13R1.150 Cc1cccc(c1Br)OC[N+](=O)[O-] 34a_100000686692_100000761209 [0,2,0,0,0,0|2,0,0]=4 787 B13R1.150 Cc1cccc(c1Br)SC[N+](=O)[O-] 62a_100012362457_100000761209 [0,2,0,0,0,0|2,0,0]=4 788 B13R1.150 Cc1cccc(c1C)NC[N+](=O)[O-] 34a_100000210026_100000761209 [0,2,0,0,0,0|2,0,0]=4 789 B13R1.150 Cc1cccc(c1C)OC[N+](=O)[O-] 34a_100000185855_100000761209 [0,2,0,0,0,0|2,0,0]=4 790 B13R1.150 Cc1cccc(c1C)SC[N+](=O)[O-] 62a_100011214922_100000761209 [0,2,0,0,0,0|2,0,0]=4 791 B13R1.150 Cc1cccc(c1Cl)NC[N+](=O)[O-] 34a_100000765562_100000761209 [0,2,0,0,0,0|2,0,0]=4 792 B13R1.150 Cc1cccc(c1Cl)OC[N+](=O)[O-] 34a_100000695629_100000761209 [0,2,0,0,0,0|2,0,0]=4 793 B13R1.150 Cc1cccc(c1Cl)SC[N+](=O)[O-] 62a_200012352035_100000761209 [0,2,0,0,0,0|2,0,0]=4 794 B13R1.150 Cc1cccc(c1F)NC[N+](=O)[O-] 34a_100000697159_100000761209 [0,2,0,0,0,0|2,0,0]=4 795 B13R1.150 Cc1cccc(c1F)OC[N+](=O)[O-] 34a_100000751311_100000761209 [0,2,0,0,0,0|2,0,0]=4 796 B13R1.150 Cc1cccc(c1F)SC[N+](=O)[O-] 62a_100000717567_100000761209 [0,2,0,0,0,0|2,0,0]=4 797 B13R1.150 Cc1cccc(c1I)NC[N+](=O)[O-] 34a_100000761888_100000761209 [0,2,0,0,0,0|2,0,0]=4 798 B13R1.150 Cc1cccc(c1I)OC[N+](=O)[O-] 34a_100010083724_100000761209 [0,2,0,0,0,0|2,0,0]=4 799 B13R1.150 Cc1cccc(c1N)OC[N+](=O)[O-] 34a_100000743429_100000761209 [0,2,0,0,0,0|2,0,0]=4 800 B13R1.150 Cc1cccc(c1N)SC[N+](=O)[O-] 62a_100011834072_100000761209 [0,2,0,0,0,0|2,0,0]=4 801 B13R1.150 Cc1cccc(c1O)NC[N+](=O)[O-] 34a_100000756359_100000761209 [0,2,0,0,0,0|2,0,0]=4 802 B13R1.150 Cc1cccc(c1O)SC[N+](=O)[O-] 62a_100009817157_100000761209 [0,2,0,0,0,0|2,0,0]=4 803 B13R1.150 Nc1c(cccc1OC[N+](=O)[O-])Br 34a_100011934926_100000761209 [0,2,0,0,0,0|2,0,0]=4 804 B13R1.150 Nc1c(cccc1OC[N+](=O)[O-])Cl 34a_100012022510_100000761209 [0,2,0,0,0,0|2,0,0]=4 805 B13R1.150 Nc1c(cccc1OC[N+](=O)[O-])F 34a_100020591140_100000761209 [0,2,0,0,0,0|2,0,0]=4 806 B13R1.150 Nc1c(cccc1OC[N+](=O)[O-])I 34a_200000049512_100000761209 [0,2,0,0,0,0|2,0,0]=4 807 B13R1.150 Nc1c(cccc1SC[N+](=O)[O-])Br 62a_100010146558_100000761209 [0,2,0,0,0,0|2,0,0]=4 808 B13R1.150 Nc1c(cccc1SC[N+](=O)[O-])Cl 62a_100010190421_100000761209 [0,2,0,0,0,0|2,0,0]=4 809 B13R1.150 Nc1c(cccc1SC[N+](=O)[O-])F 62a_100000042321_100000761209 [0,2,0,0,0,0|2,0,0]=4 810 B13R1.150 Nc1cccc(c1Br)OC[N+](=O)[O-] 34a_100012183704_100000761209 [0,2,0,0,0,0|2,0,0]=4 811 B13R1.150 Nc1cccc(c1Cl)OC[N+](=O)[O-] 34a_100012002038_100000761209 [0,2,0,0,0,0|2,0,0]=4 812 B13R1.150 Nc1cccc(c1F)SC[N+](=O)[O-] 62a_100011935091_100000761209 [0,2,0,0,0,0|2,0,0]=4 813 B13R1.150 Nc1cccc(c1N)OC[N+](=O)[O-] 34a_100000033209_100000761209 [0,2,0,0,0,0|2,0,0]=4 814 B13R1.150 Nc1cccc(c1N)SC[N+](=O)[O-] 62a_100015191791_100000761209 [0,2,0,0,0,0|2,0,0]=4 815 B13R1.150 Nc1cccc(c1O)SC[N+](=O)[O-] 62a_100011934915_100000761209 [0,2,0,0,0,0|2,0,0]=4 816 B13R1.150 O=[N+]([O-])CNc1cccc(c1Br)Cl 34a_100000687072_100000761209 [0,2,0,0,0,0|2,0,0]=4 817 B13R1.150 O=[N+]([O-])CNc1cccc(c1Br)F 34a_100011934729_100000761209 [0,2,0,0,0,0|2,0,0]=4 818 B13R1.150 O=[N+]([O-])CNc1cccc(c1Br)O 34a_100012183704_100000761209 [0,2,0,0,0,0|2,0,0]=4 819 B13R1.150 O=[N+]([O-])CNc1cccc(c1Cl)Br 34a_100000687075_100000761209 [0,2,0,0,0,0|2,0,0]=4 820 B13R1.150 O=[N+]([O-])CNc1cccc(c1Cl)Cl 34a_100000185733_100000761209 [0,2,0,0,0,0|2,0,0]=4 821 B13R1.150 O=[N+]([O-])CNc1cccc(c1Cl)F 34a_100000692321_100000761209 [0,2,0,0,0,0|2,0,0]=4 822 B13R1.150 O=[N+]([O-])CNc1cccc(c1Cl)O 34a_100012002038_100000761209 [0,2,0,0,0,0|2,0,0]=4 823 B13R1.150 O=[N+]([O-])CNc1cccc(c1F)Br 34a_100011935091_100000761209 [0,2,0,0,0,0|2,0,0]=4 824 B13R1.150 O=[N+]([O-])CNc1cccc(c1F)Cl 34a_100000199060_100000761209 [0,2,0,0,0,0|2,0,0]=4 825 B13R1.150 O=[N+]([O-])CNc1cccc(c1F)F 34a_100000743855_100000761209 [0,2,0,0,0,0|2,0,0]=4 826 B13R1.150 O=[N+]([O-])CNc1cccc(c1I)Br 34a_100020590159_100000761209 [0,2,0,0,0,0|2,0,0]=4 827 B13R1.150 O=[N+]([O-])CNc1cccc(c1I)Cl 34a_100000049713_100000761209 [0,2,0,0,0,0|2,0,0]=4 828 B13R1.150 O=[N+]([O-])CNc1cccc(c1I)F 34a_100000690935_100000761209 [0,2,0,0,0,0|2,0,0]=4 829 B13R1.150 O=[N+]([O-])CNc1cccc(c1O)Br 34a_100011934915_100000761209 [0,2,0,0,0,0|2,0,0]=4 830 B13R1.150 O=[N+]([O-])CNc1cccc(c1O)Cl 34a_100000754742_100000761209 [0,2,0,0,0,0|2,0,0]=4 831 B13R1.150 O=[N+]([O-])CNc1cccc(c1O)F 34a_100011934987_100000761209 [0,2,0,0,0,0|2,0,0]=4 832 B13R1.150 O=[N+]([O-])COc1cccc(c1Br)Br 34a_100010187966_100000761209 [0,2,0,0,0,0|2,0,0]=4 833 B13R1.150 O=[N+]([O-])COc1cccc(c1Br)Cl 34a_100012348804_100000761209 [0,2,0,0,0,0|2,0,0]=4 834 B13R1.150 O=[N+]([O-])COc1cccc(c1Br)F 34a_100009820682_100000761209 [0,2,0,0,0,0|2,0,0]=4 835 B13R1.150 O=[N+]([O-])COc1cccc(c1Br)I 34a_100010187914_100000761209 [0,2,0,0,0,0|2,0,0]=4 836 B13R1.150 O=[N+]([O-])COc1cccc(c1Cl)Br 34a_100010187913_100000761209 [0,2,0,0,0,0|2,0,0]=4 837 B13R1.150 O=[N+]([O-])COc1cccc(c1Cl)Cl 34a_100000211076_100000761209 [0,2,0,0,0,0|2,0,0]=4 838 B13R1.150 O=[N+]([O-])COc1cccc(c1Cl)F 34a_100000087408_100000761209 [0,2,0,0,0,0|2,0,0]=4 839 B13R1.150 O=[N+]([O-])COc1cccc(c1Cl)I 34a_100000049636_100000761209 [0,2,0,0,0,0|2,0,0]=4 840 B13R1.150 O=[N+]([O-])COc1cccc(c1F)Br 34a_100009817021_100000761209 [0,2,0,0,0,0|2,0,0]=4 841 B13R1.150 O=[N+]([O-])COc1cccc(c1F)Cl 34a_100000687438_100000761209 [0,2,0,0,0,0|2,0,0]=4 842 B13R1.150 O=[N+]([O-])COc1cccc(c1F)F 34a_100000751161_100000761209 [0,2,0,0,0,0|2,0,0]=4 843 B13R1.150 O=[N+]([O-])COc1cccc(c1I)Br 34a_100010187912_100000761209 [0,2,0,0,0,0|2,0,0]=4 844 B13R1.150 O=[N+]([O-])COc1cccc(c1I)Cl 34a_100000050174_100000761209 [0,2,0,0,0,0|2,0,0]=4 845 B13R1.150 O=[N+]([O-])COc1cccc(c1I)F 34a_100000690913_100000761209 [0,2,0,0,0,0|2,0,0]=4 846 B13R1.150 O=[N+]([O-])CSc1cccc(c1Br)Br 62a_100010175083_100000761209 [0,2,0,0,0,0|2,0,0]=4 847 B13R1.150 O=[N+]([O-])CSc1cccc(c1Br)Cl 62a_100014021842_100000761209 [0,2,0,0,0,0|2,0,0]=4 848 B13R1.150 O=[N+]([O-])CSc1cccc(c1Br)F 62a_100010202630_100000761209 [0,2,0,0,0,0|2,0,0]=4 849 B13R1.150 O=[N+]([O-])CSc1cccc(c1Br)O 62a_100010187914_100000761209 [0,2,0,0,0,0|2,0,0]=4 850 B13R1.150 O=[N+]([O-])CSc1cccc(c1Cl)Br 62a_100010142854_100000761209 [0,2,0,0,0,0|2,0,0]=4 851 B13R1.150 O=[N+]([O-])CSc1cccc(c1Cl)Cl 62a_100011215384_100000761209 [0,2,0,0,0,0|2,0,0]=4 852 B13R1.150 O=[N+]([O-])CSc1cccc(c1Cl)F 62a_200010234923_100000761209 [0,2,0,0,0,0|2,0,0]=4 853 B13R1.150 O=[N+]([O-])CSc1cccc(c1F)Br 62a_100000702267_100000761209 [0,2,0,0,0,0|2,0,0]=4 854 B13R1.150 O=[N+]([O-])CSc1cccc(c1F)Cl 62a_100011217346_100000761209 [0,2,0,0,0,0|2,0,0]=4 855 B13R1.150 O=[N+]([O-])CSc1cccc(c1F)F 62a_100000694657_100000761209 [0,2,0,0,0,0|2,0,0]=4 856 B13R1.150 O=[N+]([O-])CSc1cccc(c1F)O 62a_100009817021_100000761209 [0,2,0,0,0,0|2,0,0]=4 857 B13R1.150 O=[N+]([O-])CSc1cccc(c1O)Br 62a_100010084509_100000761209 [0,2,0,0,0,0|2,0,0]=4 858 B13R1.150 O=[N+]([O-])CSc1cccc(c1O)Cl 62a_100010202889_100000761209 [0,2,0,0,0,0|2,0,0]=4 859 B13R1.150 O=[N+]([O-])CSc1cccc(c1O)F 62a_100009813666_100000761209 [0,2,0,0,0,0|2,0,0]=4 860 B13R1.893 Cc1ccc(c(c1)NC[N+](=O)[O-])Br 34a_100000745044_100000761209 [0,2,0,0,0,0|2,0,0]=4 861 B13R1.893 Cc1ccc(c(c1)NC[N+](=O)[O-])C 34a_100000185781_100000761209 [0,2,0,0,0,0|2,0,0]=4 862 B13R1.893 Cc1ccc(c(c1)NC[N+](=O)[O-])Cl 34a_100011215360_100000761209 [0,2,0,0,0,0|2,0,0]=4 863 B13R1.893 Cc1ccc(c(c1)NC[N+](=O)[O-])F 34a_100000211285_100000761209 [0,2,0,0,0,0|2,0,0]=4 864 B13R1.893 Cc1ccc(c(c1)NC[N+](=O)[O-])I 34a_100011216686_100000761209 [0,2,0,0,0,0|2,0,0]=4 865 B13R1.893 Cc1ccc(c(c1)NC[N+](=O)[O-])O 34a_100011215204_100000761209 [0,2,0,0,0,0|2,0,0]=4 866 B13R1.893 Cc1ccc(c(c1)OC[N+](=O)[O-])Br 34a_100012002257_100000761209 [0,2,0,0,0,0|2,0,0]=4 867 B13R1.893 Cc1ccc(c(c1)OC[N+](=O)[O-])C 34a_100000210931_100000761209 [0,2,0,0,0,0|2,0,0]=4 868 B13R1.893 Cc1ccc(c(c1)OC[N+](=O)[O-])Cl 34a_100000211493_100000761209 [0,2,0,0,0,0|2,0,0]=4 869 B13R1.893 Cc1ccc(c(c1)OC[N+](=O)[O-])F 34a_100000759540_100000761209 [0,2,0,0,0,0|2,0,0]=4 870 B13R1.893 Cc1ccc(c(c1)OC[N+](=O)[O-])N 34a_100000211527_100000761209 [0,2,0,0,0,0|2,0,0]=4 871 B13R1.893 Cc1ccc(c(c1)SC[N+](=O)[O-])Br 62a_100012353751_100000761209 [0,2,0,0,0,0|2,0,0]=4 872 B13R1.893 Cc1ccc(c(c1)SC[N+](=O)[O-])C 62a_100000210833_100000761209 [0,2,0,0,0,0|2,0,0]=4 873 B13R1.893 Cc1ccc(c(c1)SC[N+](=O)[O-])Cl 62a_100012356289_100000761209 [0,2,0,0,0,0|2,0,0]=4 874 B13R1.893 Cc1ccc(c(c1)SC[N+](=O)[O-])F 62a_100000736223_100000761209 [0,2,0,0,0,0|2,0,0]=4 875 B13R1.893 Cc1ccc(c(c1)SC[N+](=O)[O-])N 62a_100011356834_100000761209 [0,2,0,0,0,0|2,0,0]=4 876 B13R1.893 Cc1ccc(c(c1)SC[N+](=O)[O-])O 62a_100000765521_100000761209 [0,2,0,0,0,0|2,0,0]=4 877 B13R1.893 Cc1ccc(cc1NC[N+](=O)[O-])Br 34a_100000741167_100000761209 [0,2,0,0,0,0|2,0,0]=4 878 B13R1.893 Cc1ccc(cc1NC[N+](=O)[O-])Cl 34a_100000211374_100000761209 [0,2,0,0,0,0|2,0,0]=4 879 B13R1.893 Cc1ccc(cc1NC[N+](=O)[O-])F 34a_100000211107_100000761209 [0,2,0,0,0,0|2,0,0]=4 880 B13R1.893 Cc1ccc(cc1NC[N+](=O)[O-])O 34a_100011216113_100000761209 [0,2,0,0,0,0|2,0,0]=4 881 B13R1.893 Cc1ccc(cc1OC[N+](=O)[O-])Br 34a_100000685420_100000761209 [0,2,0,0,0,0|2,0,0]=4 882 B13R1.893 Cc1ccc(cc1OC[N+](=O)[O-])Cl 34a_100000756515_100000761209 [0,2,0,0,0,0|2,0,0]=4 883 B13R1.893 Cc1ccc(cc1OC[N+](=O)[O-])F 34a_100000690566_100000761209 [0,2,0,0,0,0|2,0,0]=4 884 B13R1.893 Cc1ccc(cc1OC[N+](=O)[O-])N 34a_100000759471_100000761209 [0,2,0,0,0,0|2,0,0]=4 885 B13R1.893 Cc1ccc(cc1SC[N+](=O)[O-])Br 62a_100011344865_100000761209 [0,2,0,0,0,0|2,0,0]=4 886 B13R1.893 Cc1ccc(cc1SC[N+](=O)[O-])Cl 62a_100011263213_100000761209 [0,2,0,0,0,0|2,0,0]=4 887 B13R1.893 Cc1ccc(cc1SC[N+](=O)[O-])F 62a_100011218078_100000761209 [0,2,0,0,0,0|2,0,0]=4 888 B13R1.893 Cc1ccc(cc1SC[N+](=O)[O-])N 62a_100000736455_100000761209 [0,2,0,0,0,0|2,0,0]=4 889 B13R1.893 Cc1ccc(cc1SC[N+](=O)[O-])O 62a_100011380479_100000761209 [0,2,0,0,0,0|2,0,0]=4 890 B13R1.893 Nc1ccc(c(c1)OC[N+](=O)[O-])Cl 34a_100011934209_100000761209 [0,2,0,0,0,0|2,0,0]=4 891 B13R1.893 Nc1ccc(c(c1)OC[N+](=O)[O-])F 34a_100012017398_100000761209 [0,2,0,0,0,0|2,0,0]=4 892 B13R1.893 Nc1ccc(c(c1)OC[N+](=O)[O-])N 34a_100025717382_100000761209 [0,2,0,0,0,0|2,0,0]=4 893 B13R1.893 Nc1ccc(c(c1)SC[N+](=O)[O-])Br 62a_100000750459_100000761209 [0,2,0,0,0,0|2,0,0]=4 894 B13R1.893 Nc1ccc(c(c1)SC[N+](=O)[O-])Cl 62a_100012360549_100000761209 [0,2,0,0,0,0|2,0,0]=4 895 B13R1.893 Nc1ccc(c(c1)SC[N+](=O)[O-])F 62a_100000760356_100000761209 [0,2,0,0,0,0|2,0,0]=4 896 B13R1.893 Nc1ccc(c(c1)SC[N+](=O)[O-])N 62a_100011534242_100000761209 [0,2,0,0,0,0|2,0,0]=4 897 B13R1.893 Nc1ccc(c(c1)SC[N+](=O)[O-])O 62a_100011534360_100000761209 [0,2,0,0,0,0|2,0,0]=4 898 B13R1.893 Nc1ccc(cc1OC[N+](=O)[O-])Br 34a_100000739049_100000761209 [0,2,0,0,0,0|2,0,0]=4 899 B13R1.893 Nc1ccc(cc1OC[N+](=O)[O-])Cl 34a_100000185728_100000761209 [0,2,0,0,0,0|2,0,0]=4 900 B13R1.893 Nc1ccc(cc1OC[N+](=O)[O-])F 34a_100000753323_100000761209 [0,2,0,0,0,0|2,0,0]=4 901 B13R1.893 Nc1ccc(cc1OC[N+](=O)[O-])I 34a_100000057187_100000761209 [0,2,0,0,0,0|2,0,0]=4 902 B13R1.893 Nc1ccc(cc1SC[N+](=O)[O-])Br 62a_100000187925_100000761209 [0,2,0,0,0,0|2,0,0]=4 903 B13R1.893 Nc1ccc(cc1SC[N+](=O)[O-])Cl 62a_100000761889_100000761209 [0,2,0,0,0,0|2,0,0]=4 904 B13R1.893 Nc1ccc(cc1SC[N+](=O)[O-])F 62a_100000760547_100000761209 [0,2,0,0,0,0|2,0,0]=4 905 B13R1.893 Nc1ccc(cc1SC[N+](=O)[O-])O 62a_100012001276_100000761209 [0,2,0,0,0,0|2,0,0]=4 906 B13R1.893 O=[N+]([O-])CNc1cc(ccc1Br)Br 34a_100000737762_100000761209 [0,2,0,0,0,0|2,0,0]=4 907 B13R1.893 O=[N+]([O-])CNc1cc(ccc1Br)Cl 34a_100000687073_100000761209 [0,2,0,0,0,0|2,0,0]=4 908 B13R1.893 O=[N+]([O-])CNc1cc(ccc1Br)F 34a_100000687223_100000761209 [0,2,0,0,0,0|2,0,0]=4 909 B13R1.893 O=[N+]([O-])CNc1cc(ccc1Br)O 34a_100011999798_100000761209 [0,2,0,0,0,0|2,0,0]=4 910 B13R1.893 O=[N+]([O-])CNc1cc(ccc1Cl)Br 34a_100000750497_100000761209 [0,2,0,0,0,0|2,0,0]=4 911 B13R1.893 O=[N+]([O-])CNc1cc(ccc1Cl)Cl 34a_100000184485_100000761209 [0,2,0,0,0,0|2,0,0]=4 912 B13R1.893 O=[N+]([O-])CNc1cc(ccc1Cl)F 34a_100000751338_100000761209 [0,2,0,0,0,0|2,0,0]=4 913 B13R1.893 O=[N+]([O-])CNc1cc(ccc1Cl)I 34a_200000761891_100000761209 [0,2,0,0,0,0|2,0,0]=4 914 B13R1.893 O=[N+]([O-])CNc1cc(ccc1Cl)O 34a_100011934297_100000761209 [0,2,0,0,0,0|2,0,0]=4 915 B13R1.893 O=[N+]([O-])CNc1cc(ccc1F)Br 34a_100000740924_100000761209 [0,2,0,0,0,0|2,0,0]=4 916 B13R1.893 O=[N+]([O-])CNc1cc(ccc1F)Cl 34a_100000212115_100000761209 [0,2,0,0,0,0|2,0,0]=4 917 B13R1.893 O=[N+]([O-])CNc1cc(ccc1F)F 34a_100000210742_100000761209 [0,2,0,0,0,0|2,0,0]=4 918 B13R1.893 O=[N+]([O-])CNc1cc(ccc1F)I 34a_100011464823_100000761209 [0,2,0,0,0,0|2,0,0]=4 919 B13R1.893 O=[N+]([O-])CNc1cc(ccc1F)O 34a_100012017239_100000761209 [0,2,0,0,0,0|2,0,0]=4 920 B13R1.893 O=[N+]([O-])CNc1cc(ccc1I)Br 34a_100000743836_100000761209 [0,2,0,0,0,0|2,0,0]=4 921 B13R1.893 O=[N+]([O-])CNc1cc(ccc1I)Cl 34a_100000761886_100000761209 [0,2,0,0,0,0|2,0,0]=4 922 B13R1.893 O=[N+]([O-])CNc1cc(ccc1I)F 34a_100011218093_100000761209 [0,2,0,0,0,0|2,0,0]=4 923 B13R1.893 O=[N+]([O-])CNc1cc(ccc1O)Br 34a_100000752626_100000761209 [0,2,0,0,0,0|2,0,0]=4 924 B13R1.893 O=[N+]([O-])CNc1cc(ccc1O)Cl 34a_100000210500_100000761209 [0,2,0,0,0,0|2,0,0]=4 925 B13R1.893 O=[N+]([O-])CNc1cc(ccc1O)F 34a_100000759472_100000761209 [0,2,0,0,0,0|2,0,0]=4 926 B13R1.893 O=[N+]([O-])COc1cc(ccc1Br)Br 34a_100011220040_100000761209 [0,2,0,0,0,0|2,0,0]=4 927 B13R1.893 O=[N+]([O-])COc1cc(ccc1Br)Cl 34a_100012339455_100000761209 [0,2,0,0,0,0|2,0,0]=4 928 B13R1.893 O=[N+]([O-])COc1cc(ccc1Br)F 34a_100000690578_100000761209 [0,2,0,0,0,0|2,0,0]=4 929 B13R1.893 O=[N+]([O-])COc1cc(ccc1Br)I 34a_100012356990_100000761209 [0,2,0,0,0,0|2,0,0]=4 930 B13R1.893 O=[N+]([O-])COc1cc(ccc1Cl)Br 34a_100000738945_100000761209 [0,2,0,0,0,0|2,0,0]=4 931 B13R1.893 O=[N+]([O-])COc1cc(ccc1Cl)Cl 34a_100000211422_100000761209 [0,2,0,0,0,0|2,0,0]=4 932 B13R1.893 O=[N+]([O-])COc1cc(ccc1Cl)F 34a_100000692107_100000761209 [0,2,0,0,0,0|2,0,0]=4 933 B13R1.893 O=[N+]([O-])COc1cc(ccc1Cl)I 34a_100011356854_100000761209 [0,2,0,0,0,0|2,0,0]=4 934 B13R1.893 O=[N+]([O-])COc1cc(ccc1F)Br 34a_100000686035_100000761209 [0,2,0,0,0,0|2,0,0]=4 935 B13R1.893 O=[N+]([O-])COc1cc(ccc1F)Cl 34a_100000757397_100000761209 [0,2,0,0,0,0|2,0,0]=4 936 B13R1.893 O=[N+]([O-])COc1cc(ccc1F)F 34a_100000752141_100000761209 [0,2,0,0,0,0|2,0,0]=4 937 B13R1.893 O=[N+]([O-])COc1cc(ccc1F)I 34a_100009958187_100000761209 [0,2,0,0,0,0|2,0,0]=4 938 B13R1.893 O=[N+]([O-])COc1cc(ccc1I)Br 34a_100012344904_100000761209 [0,2,0,0,0,0|2,0,0]=4 939 B13R1.893 O=[N+]([O-])COc1cc(ccc1I)Cl 34a_100000050036_100000761209 [0,2,0,0,0,0|2,0,0]=4 940 B13R1.893 O=[N+]([O-])COc1cc(ccc1I)F 34a_100010084537_100000761209 [0,2,0,0,0,0|2,0,0]=4 941 B13R1.893 O=[N+]([O-])CSc1cc(ccc1Br)Br 62a_100011483371_100000761209 [0,2,0,0,0,0|2,0,0]=4 942 B13R1.893 O=[N+]([O-])CSc1cc(ccc1Br)Cl 62a_100012339723_100000761209 [0,2,0,0,0,0|2,0,0]=4 943 B13R1.893 O=[N+]([O-])CSc1cc(ccc1Br)F 62a_100011217576_100000761209 [0,2,0,0,0,0|2,0,0]=4 944 B13R1.893 O=[N+]([O-])CSc1cc(ccc1Br)O 62a_100012339312_100000761209 [0,2,0,0,0,0|2,0,0]=4 945 B13R1.893 O=[N+]([O-])CSc1cc(ccc1Cl)Br 62a_100011772130_100000761209 [0,2,0,0,0,0|2,0,0]=4 946 B13R1.893 O=[N+]([O-])CSc1cc(ccc1Cl)Cl 62a_100000707729_100000761209 [0,2,0,0,0,0|2,0,0]=4 947 B13R1.893 O=[N+]([O-])CSc1cc(ccc1Cl)F 62a_100011217299_100000761209 [0,2,0,0,0,0|2,0,0]=4 948 B13R1.893 O=[N+]([O-])CSc1cc(ccc1Cl)O 62a_100000049588_100000761209 [0,2,0,0,0,0|2,0,0]=4 949 B13R1.893 O=[N+]([O-])CSc1cc(ccc1F)Br 62a_100011217312_100000761209 [0,2,0,0,0,0|2,0,0]=4 950 B13R1.893 O=[N+]([O-])CSc1cc(ccc1F)Cl 62a_100011218116_100000761209 [0,2,0,0,0,0|2,0,0]=4 951 B13R1.893 O=[N+]([O-])CSc1cc(ccc1F)F 62a_100011219198_100000761209 [0,2,0,0,0,0|2,0,0]=4 952 B13R1.893 O=[N+]([O-])CSc1cc(ccc1F)O 62a_100000693481_100000761209 [0,2,0,0,0,0|2,0,0]=4 953 B13R1.893 O=[N+]([O-])CSc1cc(ccc1O)Br 62a_100012355227_100000761209 [0,2,0,0,0,0|2,0,0]=4 954 B13R1.893 O=[N+]([O-])CSc1cc(ccc1O)Cl 62a_100011356953_100000761209 [0,2,0,0,0,0|2,0,0]=4 955 B13R1.893 O=[N+]([O-])CSc1cc(ccc1O)F 62a_100000211999_100000761209 [0,2,0,0,0,0|2,0,0]=4 956 B13R1.3787 Cc1cccc(c1NC[N+](=O)[O-])Br 34a_100011834072_100000761209 [0,2,0,0,0,0|2,0,0]=4 957 B13R1.3787 Cc1cccc(c1NC[N+](=O)[O-])C 34a_100000185769_100000761209 [0,2,0,0,0,0|2,0,0]=4 958 B13R1.3787 Cc1cccc(c1NC[N+](=O)[O-])Cl 34a_100000756524_100000761209 [0,2,0,0,0,0|2,0,0]=4 959 B13R1.3787 Cc1cccc(c1NC[N+](=O)[O-])F 34a_100000766463_100000761209 [0,2,0,0,0,0|2,0,0]=4 960 B13R1.3787 Cc1cccc(c1NC[N+](=O)[O-])O 34a_100000743429_100000761209 [0,2,0,0,0,0|2,0,0]=4 961 B13R1.3787 Cc1cccc(c1OC[N+](=O)[O-])Br 34a_100009817157_100000761209 [0,2,0,0,0,0|2,0,0]=4 962 B13R1.3787 Cc1cccc(c1OC[N+](=O)[O-])C 34a_100000210341_100000761209 [0,2,0,0,0,0|2,0,0]=4 963 B13R1.3787 Cc1cccc(c1OC[N+](=O)[O-])Cl 34a_100000033731_100000761209 [0,2,0,0,0,0|2,0,0]=4 964 B13R1.3787 Cc1cccc(c1OC[N+](=O)[O-])F 34a_100011659162_100000761209 [0,2,0,0,0,0|2,0,0]=4 965 B13R1.3787 Cc1cccc(c1OC[N+](=O)[O-])N 34a_100000756359_100000761209 [0,2,0,0,0,0|2,0,0]=4 966 B13R1.3787 Cc1cccc(c1SC[N+](=O)[O-])Br 62a_100010141302_100000761209 [0,2,0,0,0,0|2,0,0]=4 967 B13R1.3787 Cc1cccc(c1SC[N+](=O)[O-])C 62a_100000033847_100000761209 [0,2,0,0,0,0|2,0,0]=4 968 B13R1.3787 Cc1cccc(c1SC[N+](=O)[O-])Cl 62a_100000043165_100000761209 [0,2,0,0,0,0|2,0,0]=4 969 B13R1.3787 Cc1cccc(c1SC[N+](=O)[O-])F 62a_100011218421_100000761209 [0,2,0,0,0,0|2,0,0]=4 970 B13R1.3787 Cc1cccc(c1SC[N+](=O)[O-])N 62a_100000684715_100000761209 [0,2,0,0,0,0|2,0,0]=4 971 B13R1.3787 Cc1cccc(c1SC[N+](=O)[O-])O 62a_100000686692_100000761209 [0,2,0,0,0,0|2,0,0]=4 972 B13R1.3787 Nc1cccc(c1OC[N+](=O)[O-])Br 34a_100011934915_100000761209 [0,2,0,0,0,0|2,0,0]=4 973 B13R1.3787 Nc1cccc(c1OC[N+](=O)[O-])Cl 34a_100000754742_100000761209 [0,2,0,0,0,0|2,0,0]=4 974 B13R1.3787 Nc1cccc(c1OC[N+](=O)[O-])F 34a_100011934987_100000761209 [0,2,0,0,0,0|2,0,0]=4 975 B13R1.3787 Nc1cccc(c1OC[N+](=O)[O-])I 34a_100010084371_100000761209 [0,2,0,0,0,0|2,0,0]=4 976 B13R1.3787 Nc1cccc(c1OC[N+](=O)[O-])N 34a_200016994477_100000761209 [0,2,0,0,0,0|2,0,0]=4 977 B13R1.3787 Nc1cccc(c1SC[N+](=O)[O-])Br 62a_100020590159_100000761209 [0,2,0,0,0,0|2,0,0]=4 978 B13R1.3787 Nc1cccc(c1SC[N+](=O)[O-])Cl 62a_100000049713_100000761209 [0,2,0,0,0,0|2,0,0]=4 979 B13R1.3787 Nc1cccc(c1SC[N+](=O)[O-])F 62a_100000690935_100000761209 [0,2,0,0,0,0|2,0,0]=4 980 B13R1.3787 Nc1cccc(c1SC[N+](=O)[O-])O 62a_100012183704_100000761209 [0,2,0,0,0,0|2,0,0]=4 981 B13R1.3787 O=[N+]([O-])CNc1c(cccc1Br)Br 34a_100000690995_100000761209 [0,2,0,0,0,0|2,0,0]=4 982 B13R1.3787 O=[N+]([O-])CNc1c(cccc1Br)Cl 34a_100102946385_100000761209 [0,2,0,0,0,0|2,0,0]=4 983 B13R1.3787 O=[N+]([O-])CNc1c(cccc1Br)F 34a_100000684712_100000761209 [0,2,0,0,0,0|2,0,0]=4 984 B13R1.3787 O=[N+]([O-])CNc1c(cccc1Br)O 34a_100011934926_100000761209 [0,2,0,0,0,0|2,0,0]=4 985 B13R1.3787 O=[N+]([O-])CNc1c(cccc1Cl)Cl 34a_100000210028_100000761209 [0,2,0,0,0,0|2,0,0]=4 986 B13R1.3787 O=[N+]([O-])CNc1c(cccc1Cl)F 34a_100000760031_100000761209 [0,2,0,0,0,0|2,0,0]=4 987 B13R1.3787 O=[N+]([O-])CNc1c(cccc1Cl)O 34a_100012022510_100000761209 [0,2,0,0,0,0|2,0,0]=4 988 B13R1.3787 O=[N+]([O-])CNc1c(cccc1F)F 34a_100000210704_100000761209 [0,2,0,0,0,0|2,0,0]=4 989 B13R1.3787 O=[N+]([O-])CNc1c(cccc1F)O 34a_100020591140_100000761209 [0,2,0,0,0,0|2,0,0]=4 990 B13R1.3787 O=[N+]([O-])CNc1c(cccc1I)F 34a_100000042321_100000761209 [0,2,0,0,0,0|2,0,0]=4 991 B13R1.3787 O=[N+]([O-])COc1c(cccc1Br)Br 34a_100000736428_100000761209 [0,2,0,0,0,0|2,0,0]=4 992 B13R1.3787 O=[N+]([O-])COc1c(cccc1Br)Cl 34a_100010214474_100000761209 [0,2,0,0,0,0|2,0,0]=4 993 B13R1.3787 O=[N+]([O-])COc1c(cccc1Br)F 34a_100009813666_100000761209 [0,2,0,0,0,0|2,0,0]=4 994 B13R1.3787 O=[N+]([O-])COc1c(cccc1Cl)Cl 34a_100000211709_100000761209 [0,2,0,0,0,0|2,0,0]=4 995 B13R1.3787 O=[N+]([O-])COc1c(cccc1Cl)F 34a_100000694953_100000761209 [0,2,0,0,0,0|2,0,0]=4 996 B13R1.3787 O=[N+]([O-])COc1c(cccc1F)F 34a_100000230165_100000761209 [0,2,0,0,0,0|2,0,0]=4 997 B13R1.3787 O=[N+]([O-])COc1c(cccc1I)Br 34a_100010084509_100000761209 [0,2,0,0,0,0|2,0,0]=4 998 B13R1.3787 O=[N+]([O-])COc1c(cccc1I)Cl 34a_100010202889_100000761209 [0,2,0,0,0,0|2,0,0]=4 999 B13R1.3787 O=[N+]([O-])COc1c(cccc1I)F 34a_100010186298_100000761209 [0,2,0,0,0,0|2,0,0]=4 1000 B13R1.3787 O=[N+]([O-])CSc1c(cccc1Br)Br 62a_100009994525_100000761209 [0,2,0,0,0,0|2,0,0]=4 1001 B13R1.3787 O=[N+]([O-])CSc1c(cccc1Br)Cl 62a_100010214488_100000761209 [0,2,0,0,0,0|2,0,0]=4 1002 B13R1.3787 O=[N+]([O-])CSc1c(cccc1Br)F 62a_100011219512_100000761209 [0,2,0,0,0,0|2,0,0]=4 1003 B13R1.3787 O=[N+]([O-])CSc1c(cccc1Br)O 62a_100010187912_100000761209 [0,2,0,0,0,0|2,0,0]=4 1004 B13R1.3787 O=[N+]([O-])CSc1c(cccc1Cl)Cl 62a_100000034237_100000761209 [0,2,0,0,0,0|2,0,0]=4 1005 B13R1.3787 O=[N+]([O-])CSc1c(cccc1Cl)F 62a_100000050007_100000761209 [0,2,0,0,0,0|2,0,0]=4 1006 B13R1.3787 O=[N+]([O-])CSc1c(cccc1F)F 62a_100000693133_100000761209 [0,2,0,0,0,0|2,0,0]=4 1007 B13R1.3787 O=[N+]([O-])CSc1c(cccc1F)O 62a_100009820682_100000761209 [0,2,0,0,0,0|2,0,0]=4 1008 B13R1.643 C#Cc1cccc(c1)NC[N+](=O)[O-] 34a_100000735509_100000761209 [0,2,0,0,0,0|2,0,0]=4 1009 B13R1.643 C#Cc1cccc(c1)OC[N+](=O)[O-] 34a_100011216014_100000761209 [0,2,0,0,0,0|2,0,0]=4 1010 B13R1.643 C=Cc1cccc(c1)NC[N+](=O)[O-] 34a_100011827668_100000761209 [0,2,0,0,0,0|2,0,0]=4 1011 B13R1.643 C=Cc1cccc(c1)OC[N+](=O)[O-] 34a_100011309434_100000761209 [0,2,0,0,0,0|2,0,0]=4 1012 B13R1.643 C=Cc1cccc(c1)SC[N+](=O)[O-] 62a_100011215241_100000761209 [0,2,0,0,0,0|2,0,0]=4 1013 B13R1.643 CCc1cccc(c1)NC[N+](=O)[O-] 34a_100000211250_100000761209 [0,2,0,0,0,0|2,0,0]=4 1014 B13R1.643 CCc1cccc(c1)OC[N+](=O)[O-] 34a_100000211550_100000761209 [0,2,0,0,0,0|2,0,0]=4 1015 B13R1.643 CCc1cccc(c1)SC[N+](=O)[O-] 62a_100011263222_100000761209 [0,2,0,0,0,0|2,0,0]=4 1016 B13R1.643 CNc1cccc(c1)OC[N+](=O)[O-] 34a_100000756613_100000761209 [0,2,0,0,0,0|2,0,0]=4 1017 B13R1.643 CNc1cccc(c1)SC[N+](=O)[O-] 62a_100000219648_100000761209 [0,2,0,0,0,0|2,0,0]=4 1018 B13R1.643 COc1cccc(c1)NC[N+](=O)[O-] 34a_100000210024_100000761209 [0,2,0,0,0,0|2,0,0]=4 1019 B13R1.643 COc1cccc(c1)OC[N+](=O)[O-] 34a_100000211255_100000761209 [0,2,0,0,0,0|2,0,0]=4 1020 B13R1.643 CSc1cccc(c1)NC[N+](=O)[O-] 34a_100000210049_100000761209 [0,2,0,0,0,0|2,0,0]=4 1021 B13R1.643 CSc1cccc(c1)OC[N+](=O)[O-] 34a_100011265683_100000761209 [0,2,0,0,0,0|2,0,0]=4 1022 B13R1.643 CSc1cccc(c1)SC[N+](=O)[O-] 62a_100011215954_100000761209 [0,2,0,0,0,0|2,0,0]=4 1023 B13R1.643 N#Cc1cccc(c1)NC[N+](=O)[O-] 34a_100000210922_100000761209 [0,2,0,0,0,0|2,0,0]=4 1024 B13R1.643 N#Cc1cccc(c1)OC[N+](=O)[O-] 34a_100000184713_100000761209 [0,2,0,0,0,0|2,0,0]=4 1025 B13R1.643 NCc1cccc(c1)OC[N+](=O)[O-] 34a_100000743036_100000761209 [0,2,0,0,0,0|2,0,0]=4 1026 B13R1.643 NCc1cccc(c1)SC[N+](=O)[O-] 62a_100000106179_100000761209 [0,2,0,0,0,0|2,0,0]=4 1027 B13R1.643 NNc1cccc(c1)SC[N+](=O)[O-] 62a_100000217339_100000761209 [0,2,0,0,0,0|2,0,0]=4 1028 B13R1.643 O=Cc1cccc(c1)SC[N+](=O)[O-] 62a_100000014684_100000761209 [0,2,0,0,0,0|2,0,0]=4 1029 B13R1.643 O=[N+]([O-])CNc1cccc(c1)CF 34a_100000126320_100000761209 [0,2,0,0,0,0|2,0,0]=4 1030 B13R1.643 O=[N+]([O-])CNc1cccc(c1)CO 34a_100000211919_100000761209 [0,2,0,0,0,0|2,0,0]=4 1031 B13R1.643 O=[N+]([O-])COc1cccc(c1)CBr 34a_100011660834_100000761209 [0,2,0,0,0,0|2,0,0]=4 1032 B13R1.643 O=[N+]([O-])COc1cccc(c1)CCl 34a_100000084143_100000761209 [0,2,0,0,0,0|2,0,0]=4 1033 B13R1.643 O=[N+]([O-])COc1cccc(c1)CO 34a_100011214949_100000761209 [0,2,0,0,0,0|2,0,0]=4 1034 B13R1.643 O=[N+]([O-])CSc1cccc(c1)CF 62a_100010878472_100000761209 [0,2,0,0,0,0|2,0,0]=4 1035 B13R1.643 O=[N+]([O-])CSc1cccc(c1)CO 62a_100000687537_100000761209 [0,2,0,0,0,0|2,0,0]=4 1036 B13R1.3420 Cc1cc(cc(c1)NC[N+](=O)[O-])Br 34a_100000695972_100000761209 [0,2,0,0,0,0|2,0,0]=4 1037 B13R1.3420 Cc1cc(cc(c1)NC[N+](=O)[O-])C 34a_100000210930_100000761209 [0,2,0,0,0,0|2,0,0]=4 1038 B13R1.3420 Cc1cc(cc(c1)NC[N+](=O)[O-])Cl 34a_100012022512_100000761209 [0,2,0,0,0,0|2,0,0]=4 1039 B13R1.3420 Cc1cc(cc(c1)NC[N+](=O)[O-])F 34a_100000742734_100000761209 [0,2,0,0,0,0|2,0,0]=4 1040 B13R1.3420 Cc1cc(cc(c1)NC[N+](=O)[O-])O 34a_100011995906_100000761209 [0,2,0,0,0,0|2,0,0]=4 1041 B13R1.3420 Cc1cc(cc(c1)OC[N+](=O)[O-])Br 34a_100011999630_100000761209 [0,2,0,0,0,0|2,0,0]=4 1042 B13R1.3420 Cc1cc(cc(c1)OC[N+](=O)[O-])C 34a_100000210933_100000761209 [0,2,0,0,0,0|2,0,0]=4 1043 B13R1.3420 Cc1cc(cc(c1)OC[N+](=O)[O-])Cl 34a_100000087485_100000761209 [0,2,0,0,0,0|2,0,0]=4 1044 B13R1.3420 Cc1cc(cc(c1)OC[N+](=O)[O-])F 34a_100011830401_100000761209 [0,2,0,0,0,0|2,0,0]=4 1045 B13R1.3420 Cc1cc(cc(c1)OC[N+](=O)[O-])N 34a_100011995906_100000761209 [0,2,0,0,0,0|2,0,0]=4 1046 B13R1.3420 Cc1cc(cc(c1)SC[N+](=O)[O-])C 62a_100011215608_100000761209 [0,2,0,0,0,0|2,0,0]=4 1047 B13R1.3420 Cc1cc(cc(c1)SC[N+](=O)[O-])Cl 62a_100010172791_100000761209 [0,2,0,0,0,0|2,0,0]=4 1048 B13R1.3420 Cc1cc(cc(c1)SC[N+](=O)[O-])F 62a_100011356977_100000761209 [0,2,0,0,0,0|2,0,0]=4 1049 B13R1.3420 Cc1cc(cc(c1)SC[N+](=O)[O-])N 62a_100000695972_100000761209 [0,2,0,0,0,0|2,0,0]=4 1050 B13R1.3420 Nc1cc(cc(c1)OC[N+](=O)[O-])Cl 34a_100000123917_100000761209 [0,2,0,0,0,0|2,0,0]=4 1051 B13R1.3420 Nc1cc(cc(c1)SC[N+](=O)[O-])Br 62a_100009814763_100000761209 [0,2,0,0,0,0|2,0,0]=4 1052 B13R1.3420 Nc1cc(cc(c1)SC[N+](=O)[O-])Cl 62a_100010147676_100000761209 [0,2,0,0,0,0|2,0,0]=4 1053 B13R1.3420 Nc1cc(cc(c1)SC[N+](=O)[O-])F 62a_100011356972_100000761209 [0,2,0,0,0,0|2,0,0]=4 1054 B13R1.3420 Nc1cc(cc(c1)SC[N+](=O)[O-])N 62a_100011999608_100000761209 [0,2,0,0,0,0|2,0,0]=4 1055 B13R1.3420 O=[N+]([O-])CNc1cc(cc(c1)Br)Br 34a_100012047176_100000761209 [0,2,0,0,0,0|2,0,0]=4 1056 B13R1.3420 O=[N+]([O-])CNc1cc(cc(c1)Br)Cl 34a_100011934539_100000761209 [0,2,0,0,0,0|2,0,0]=4 1057 B13R1.3420 O=[N+]([O-])CNc1cc(cc(c1)Br)F 34a_100000705686_100000761209 [0,2,0,0,0,0|2,0,0]=4 1058 B13R1.3420 O=[N+]([O-])CNc1cc(cc(c1)Cl)Cl 34a_100000210456_100000761209 [0,2,0,0,0,0|2,0,0]=4 1059 B13R1.3420 O=[N+]([O-])CNc1cc(cc(c1)Cl)F 34a_100000686136_100000761209 [0,2,0,0,0,0|2,0,0]=4 1060 B13R1.3420 O=[N+]([O-])CNc1cc(cc(c1)Cl)O 34a_100000123917_100000761209 [0,2,0,0,0,0|2,0,0]=4 1061 B13R1.3420 O=[N+]([O-])CNc1cc(cc(c1)F)F 34a_100000233717_100000761209 [0,2,0,0,0,0|2,0,0]=4 1062 B13R1.3420 O=[N+]([O-])CNc1cc(cc(c1)I)F 34a_100011356972_100000761209 [0,2,0,0,0,0|2,0,0]=4 1063 B13R1.3420 O=[N+]([O-])CNc1cc(cc(c1)O)O 34a_100000043371_100000761209 [0,2,0,0,0,0|2,0,0]=4 1064 B13R1.3420 O=[N+]([O-])COc1cc(cc(c1)Br)Br 34a_100010167048_100000761209 [0,2,0,0,0,0|2,0,0]=4 1065 B13R1.3420 O=[N+]([O-])COc1cc(cc(c1)Br)Cl 34a_100010185897_100000761209 [0,2,0,0,0,0|2,0,0]=4 1066 B13R1.3420 O=[N+]([O-])COc1cc(cc(c1)Br)F 34a_100000688818_100000761209 [0,2,0,0,0,0|2,0,0]=4 1067 B13R1.3420 O=[N+]([O-])COc1cc(cc(c1)Cl)Cl 34a_100000181315_100000761209 [0,2,0,0,0,0|2,0,0]=4 1068 B13R1.3420 O=[N+]([O-])COc1cc(cc(c1)Cl)F 34a_100011219751_100000761209 [0,2,0,0,0,0|2,0,0]=4 1069 B13R1.3420 O=[N+]([O-])COc1cc(cc(c1)F)F 34a_100000747503_100000761209 [0,2,0,0,0,0|2,0,0]=4 1070 B13R1.3420 O=[N+]([O-])COc1cc(cc(c1)I)Br 34a_100010068917_100000761209 [0,2,0,0,0,0|2,0,0]=4 1071 B13R1.3420 O=[N+]([O-])COc1cc(cc(c1)I)Cl 34a_100010068924_100000761209 [0,2,0,0,0,0|2,0,0]=4 1072 B13R1.3420 O=[N+]([O-])COc1cc(cc(c1)I)F 34a_100000717995_100000761209 [0,2,0,0,0,0|2,0,0]=4 1073 B13R1.3420 O=[N+]([O-])CSc1cc(cc(c1)Br)Br 62a_100009814770_100000761209 [0,2,0,0,0,0|2,0,0]=4 1074 B13R1.3420 O=[N+]([O-])CSc1cc(cc(c1)Br)Cl 62a_100009814755_100000761209 [0,2,0,0,0,0|2,0,0]=4 1075 B13R1.3420 O=[N+]([O-])CSc1cc(cc(c1)Br)F 62a_100009814764_100000761209 [0,2,0,0,0,0|2,0,0]=4 1076 B13R1.3420 O=[N+]([O-])CSc1cc(cc(c1)Br)O 62a_100010068917_100000761209 [0,2,0,0,0,0|2,0,0]=4 1077 B13R1.3420 O=[N+]([O-])CSc1cc(cc(c1)Cl)Cl 62a_100000747138_100000761209 [0,2,0,0,0,0|2,0,0]=4 1078 B13R1.3420 O=[N+]([O-])CSc1cc(cc(c1)Cl)F 62a_100013859453_100000761209 [0,2,0,0,0,0|2,0,0]=4 1079 B13R1.3420 O=[N+]([O-])CSc1cc(cc(c1)Cl)O 62a_100010068924_100000761209 [0,2,0,0,0,0|2,0,0]=4 1080 B13R1.3420 O=[N+]([O-])CSc1cc(cc(c1)F)F 62a_100000233788_100000761209 [0,2,0,0,0,0|2,0,0]=4 1081 B13R1.3420 O=[N+]([O-])CSc1cc(cc(c1)F)O 62a_100000688818_100000761209 [0,2,0,0,0,0|2,0,0]=4 1082 B9R0.4 C=CC=CC(=O)C[N+](=O)[O-] 1458a_100016291481_100000761209 [0,0,1,0,1,0|2,0,0]=4 1083 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [0,0,0,0,2,0|2,0,0]=4 1084 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [0,0,0,0,2,0|2,0,0]=4 1085 B13R1.337 O=C([O-])COCCc1ccccc1 34a_100000210268_100020667443 [0,0,0,0,0,2|2,0,0]=4 1086 B13R1.337 O=[N+]([O-])CNCCc1ccccc1 34a_100000106460_100000761209 [0,0,0,0,0,2|2,0,0]=4 1087 B13R1.337 O=[N+]([O-])COCCc1ccccc1 34a_100000210268_100000761209 [0,0,0,0,0,2|1,0,0]=3 1088 B13R1.337 O=[N+]([O-])COCCc1ccccn1 34a_100000210271_100000761209 [0,0,0,0,0,2|2,0,0]=4 1089 B13R1.337 O=[N+]([O-])COCCc1cccnc1 34a_100011217484_100000761209 [0,0,0,0,0,2|2,0,0]=4 1090 B13R1.337 O=[N+]([O-])COCCc1ccncc1 34a_100011216225_100000761209 [0,0,0,0,0,2|2,0,0]=4 1091 B13R1.337 O=[N+]([O-])CSCCc1ccccc1 62a_100000765856_100000761209 [0,0,0,0,0,2|1,1,0]=4 1092 B13R1.337 O=[N+]([O-])CSCSc1ccccc1 62a_100011218342_100000761209 [0,0,0,0,0,2|1,1,0]=4