0 B16R2.85 CC(O)c1ccc(cc1)c2ccccc2 CSC011216184 [0,0,0,0,0,0|2,0,1]=3 1 B16R2.85 CN(C)c1ccc(cc1)c2ccncc2 CSC000029170 [0,0,0,0,0,0|3,0,1]=4 2 B16R2.85 NC(=O)c1ccc(cc1)c2ccccc2 CSC000003340 [0,0,0,0,0,0|2,0,0]=2 3 B16R2.85 OC(=O)c1ccc(cc1)c2cccnc2 CSC011399805 [0,0,0,0,0,0|2,0,1]=3 4 B16R2.85 OC(=O)c1ccc(cc1)c2ccncc2 CSC011410164 [0,0,0,0,0,0|2,0,1]=3 5 B16R2.85 OC(=O)c1ccc(cc1)c2cncnc2 CSC011688927 [0,0,0,0,0,0|3,0,1]=4 6 B16R2.85 [O-][N+](=O)c1ccc(cc1)c2ccccn2 CSC009992643 [0,0,0,0,0,0|1,0,0]=1 7 B15R2.1 COc1ccc(cc1)c2ccccc2 CSC000005834 [1,0,0,0,0,0|2,0,0]=3 8 B15R2.1 COc1ccc(cc1)c2ccccn2 CSC000065657 [1,0,0,0,0,0|3,0,0]=4 9 B15R2.1 COc1ccc(cc1)c2ccncc2 CSC000074785 [1,0,0,0,0,0|3,0,0]=4 10 B15R2.1 CSc1ccc(cc1)c2ccccc2 CSC000052044 [1,0,0,0,0,0|2,0,0]=3 11 B15R2.1 CSc1ccc(cc1)c2ccccn2 CSC010163888 [1,0,0,0,0,0|3,0,0]=4 12 B15R2.1 NCc1ccc(cc1)c2ccccc2 CSC000168354 [1,0,0,0,0,0|2,0,0]=3 13 B15R2.1 OCc1ccc(cc1)c2ccccn2 CSC000067868 [1,0,0,0,0,0|2,0,1]=4 14 B17R2.213 Nc1ccc(cc1)c2ccc(cc2)[N+](=O)[O-] CSC000009234 [0,1,0,0,0,0|0,0,0]=1 15 B17R2.213 OC(=O)c1ccc(cc1)c2ccc(cc2)Cl CSC011219960 [0,1,0,0,0,0|1,0,1]=3 16 B17R2.213 OC(=O)c1ccc(cc1)c2ccc(cc2)F CSC011217427 [0,1,0,0,0,0|1,0,1]=3 17 B17R2.213 OC(=O)c1ccc(cn1)c2ccc(cc2)F CSC011781142 [0,1,0,0,0,0|2,0,1]=4 18 B17R2.213 Oc1ccc(cc1)c2ccc(cc2)[N+](=O)[O-] CSC000009330 [0,1,0,0,0,0|0,0,0]=1 19 B17R2.224 COC(=O)c1ccc(cc1)c2ccccc2 CSC000148941 [0,1,0,0,0,0|1,0,1]=3 20 B17R2.224 COC(=O)c1ccc(cc1)c2ccncc2 CSC000071783 [0,1,0,0,0,0|2,0,1]=4 21 B17R2.224 NNC(=O)c1ccc(cc1)c2ccccc2 CSC000016253 [0,1,0,0,0,0|2,0,0]=3 22 B17R2.2464 NS(=O)(=O)c1ccc(cc1)c2ccccc2 CSC000262077 [0,1,0,0,0,0|1,0,1]=3 23 B17R2.3358 Cc1cccc(c1)c2ccc(cc2)C(=O)O CSC011216982 [0,1,0,0,0,0|1,0,1]=3 24 B17R2.3358 OC(=O)c1ccc(cc1)c2cccc(c2)Cl CSC011219955 [0,1,0,0,0,0|1,0,1]=3 25 B17R2.3358 OC(=O)c1ccc(cc1)c2cccc(c2)F CSC011217428 [0,1,0,0,0,0|1,0,1]=3 26 B17R2.3358 OC(=O)c1ccc(cc1)c2cccc(c2)O CSC010140794 [0,1,0,0,0,0|1,0,1]=3 27 B17R2.3935 Cc1ccccc1c2ccc(cc2)C(=O)O CSC011216752 [0,1,0,0,0,0|1,0,1]=3 28 B17R2.3935 NC(=O)c1ccc(cc1)c2ccccc2F CSC000023390 [0,1,0,0,0,0|2,0,0]=3 29 B17R2.3935 OC(=O)c1ccc(cc1)c2ccccc2Cl CSC011217429 [0,1,0,0,0,0|1,0,1]=3 30 B17R2.3935 OC(=O)c1ccc(cc1)c2ccccc2F CSC011217417 [0,1,0,0,0,0|1,0,1]=3 31 B15R1.1222 [O-][N+](=O)c1ccc(cc1)C(=O)OCC=C CSC000006402 [0,0,1,0,0,0|2,0,1]=4 32 B15R2.59 NC(=O)c1ccc(o1)c2ccccc2 CSC000010916 [0,0,0,0,1,0|3,0,0]=4 33 B15R2.59 OC(=O)c1cc(c[nH]1)c2ccccc2 CSC000118222 [0,0,0,0,1,0|2,0,1]=4 34 B15R2.60 CC(=O)c1ccc(cc1)c2ccsc2 CSC011216506 [0,0,0,0,1,0|3,0,0]=4 35 B15R2.60 NC(=O)c1ccc(cc1)n2cccc2 CSC000223275 [0,0,0,0,1,0|3,0,0]=4 36 B15R2.60 OC(=O)c1ccc(cc1)c2ccoc2 CSC011954318 [0,0,0,0,1,0|2,0,1]=4 37 B15R2.60 OC(=O)c1ccc(cc1)c2ccsc2 CSC011218173 [0,0,0,0,1,0|2,0,1]=4 38 B15R2.60 [O-][N+](=O)c1ccc(cc1)n2ccnc2 CSC000190894 [0,0,0,0,1,0|2,0,0]=3 39 B15R2.60 [O-][N+](=O)c1ccc(nc1)n2ccnc2 CSC000701252 [0,0,0,0,1,0|3,0,0]=4 40 B17R2.141 [O-][N+](=O)c1ccc(cc1)Oc2cccnc2 CSC000017865 [0,0,0,0,0,1|1,0,0]=2 41 B17R2.141 [O-][N+](=O)c1ccc(cc1)Sc2ccccc2 CSC000002582 [0,0,0,0,0,1|0,0,0]=1 42 B17R2.141 [O-][N+](=O)c1ccc(nc1)Nc2ccccc2 CSC021185501 [0,0,0,0,0,1|1,0,0]=2 43 B17R2.141 [O-][N+](=O)c1ccc(nc1)Sc2ccccc2 CSC000014419 [0,0,0,0,0,1|1,0,0]=2 44 B17R2.246 CC(=O)Nc1ccc(cn1)c2ccccc2 CSC000053787 [0,0,0,0,0,1|3,0,0]=4 45 B17R2.246 CC(=O)Oc1ccc(cc1)c2ccccc2 CSC000002290 [0,0,0,0,0,1|2,0,0]=3 46 B17R2.246 FC(F)Oc1ccc(cc1)c2ccccc2 CSC000007887 [0,0,0,0,0,1|3,0,0]=4 47 B17R2.246 NC(=O)Cc1ccc(cc1)c2ccccc2 CSC000003337 [0,0,0,0,0,1|2,0,0]=3 48 B17R2.246 OC(=O)Cc1ccc(cc1)c2cccnc2 CSC000067272 [0,0,0,0,0,1|2,0,1]=4 49 B17R2.246 OC(=O)Cc1ccc(cc1)c2ccncc2 CSC000049109 [0,0,0,0,0,1|2,0,1]=4 50 B14R2.68 Cc1ccc(cc1)c2ccccn2 CSC000035180 [2,0,0,0,0,0|2,0,0]=4 51 B14R2.68 Clc1ccc(cc1)c2ccccc2 CSC011217223 [2,0,0,0,0,0|1,0,0]=3 52 B14R2.68 Fc1ccc(cc1)c2ccccc2 CSC000040000 [2,0,0,0,0,0|1,0,0]=3 53 B14R2.68 Fc1ccc(cc1)c2ccncc2 CSC000088885 [2,0,0,0,0,0|2,0,0]=4 54 B14R2.68 Nc1ccc(cc1)c2cccnc2 CSC011399839 [2,0,0,0,0,0|1,0,1]=4 55 B14R2.68 Nc1ccc(cc1)c2ccncc2 CSC011410175 [2,0,0,0,0,0|1,0,1]=4 56 B14R2.68 Nc1ccc(cn1)c2ccccc2 CSC000743117 [2,0,0,0,0,0|1,0,1]=4 57 B16R2.1 COc1ccc(cc1)c2cccc(c2)N CSC011219707 [1,1,0,0,0,0|2,0,0]=4 58 B16R2.1 CSc1ccc(cc1)c2cccc(c2)N CSC010140804 [1,1,0,0,0,0|2,0,0]=4 59 B16R2.1 OCc1ccc(cc1)c2cccc(c2)F CSC010163335 [1,1,0,0,0,0|1,0,1]=4 60 B16R2.13 CCc1ccc(cc1)c2ccc(cc2)O CSC011997752 [1,1,0,0,0,0|2,0,0]=4 61 B16R2.13 COc1ccc(cc1)c2ccc(cc2)Br CSC009813857 [1,1,0,0,0,0|2,0,0]=4 62 B16R2.13 COc1ccc(cc1)c2ccc(cc2)C CSC000005915 [1,1,0,0,0,0|2,0,0]=4 63 B16R2.13 COc1ccc(cc1)c2ccc(cc2)F CSC010163885 [1,1,0,0,0,0|2,0,0]=4 64 B16R2.13 COc1ccc(cc1)c2ccc(cc2)N CSC011216520 [1,1,0,0,0,0|2,0,0]=4 65 B16R2.13 CSc1ccc(cc1)c2ccc(cc2)N CSC010140803 [1,1,0,0,0,0|2,0,0]=4 66 B16R2.13 Cc1ccc(cc1)c2ccc(cc2)C#N CSC000067128 [1,1,0,0,0,0|2,0,0]=4 67 B16R2.13 Nc1ccc(cc1)c2ccc(cc2)C#N CSC000011239 [1,1,0,0,0,0|2,0,0]=4 68 B16R2.13 OCc1ccc(cc1)c2ccc(cc2)F CSC010002969 [1,1,0,0,0,0|1,0,1]=4 69 B16R2.13 Oc1ccc(cc1)c2ccc(cc2)C#N CSC000188986 [1,1,0,0,0,0|2,0,0]=4 70 B16R2.47 COc1ccc(cc1)c2ccccc2N CSC011217695 [1,1,0,0,0,0|2,0,0]=4 71 B16R2.47 CSc1ccc(cc1)c2ccccc2N CSC010140805 [1,1,0,0,0,0|2,0,0]=4 72 B16R2.47 Nc1ccccc1c2ccc(cc2)C#N CSC000081395 [1,1,0,0,0,0|2,0,0]=4 73 B16R2.2815 [O-][N+](=O)c1ccc(c(c1)Br)n2ccnc2 CSC011927744 [0,1,0,0,1,0|2,0,0]=4 74 B16R2.2815 [O-][N+](=O)c1ccc(c(c1)Cl)n2ccnc2 CSC000190895 [0,1,0,0,1,0|2,0,0]=4 75 B16R2.2815 [O-][N+](=O)c1ccc(c(c1)F)n2ccnc2 CSC011274017 [0,1,0,0,1,0|2,0,0]=4 76 B16R2.2827 Cn1ccc(n1)c2ccc(cc2)[N+](=O)[O-] CSC009994200 [0,1,0,0,1,0|2,0,0]=4 77 B18R2.287 COC(=O)c1ccc(cc1)Oc2ccccc2 CSC000248186 [0,1,0,0,0,1|1,0,1]=4 78 B18R2.287 NNC(=O)c1ccc(cc1)Oc2ccccc2 CSC020666564 [0,1,0,0,0,1|2,0,0]=4 79 B18R2.3632 [O-][N+](=O)c1ccc(c(c1)Cl)Nc2ccccc2 CSC046084071 [0,1,0,0,0,1|0,0,0]=2 80 B18R2.3632 [O-][N+](=O)c1ccc(c(c1)F)Oc2cccnc2 CSC046266587 [0,1,0,0,0,1|1,0,0]=3 81 B18R2.3887 Cc1cccc(c1)Nc2ccc(cn2)[N+](=O)[O-] CSC046163804 [0,1,0,0,0,1|1,0,0]=3 82 B18R2.3887 Cc1cccc(c1)Sc2ccc(cn2)[N+](=O)[O-] CSC046210004 [0,1,0,0,0,1|1,0,0]=3 83 B18R2.3887 [O-][N+](=O)c1ccc(cc1)Oc2cccc(c2)Cl CSC015238512 [0,1,0,0,0,1|0,0,0]=2 84 B18R2.3887 [O-][N+](=O)c1ccc(cc1)Oc2cccc(c2)F CSC046200359 [0,1,0,0,0,1|0,0,0]=2 85 B18R2.3887 [O-][N+](=O)c1ccc(nc1)Oc2cccc(c2)Cl CSC046204522 [0,1,0,0,0,1|1,0,0]=3 86 B18R2.3887 [O-][N+](=O)c1ccc(nc1)Oc2cncc(c2)Cl CSC046139446 [0,1,0,0,0,1|2,0,0]=4 87 B18R2.6290 Cc1ccccc1Sc2ccc(cc2)[N+](=O)[O-] CSC046247456 [0,1,0,0,0,1|0,0,0]=2 88 B18R2.6290 Cc1ccccc1Sc2ccc(cn2)[N+](=O)[O-] CSC046262947 [0,1,0,0,0,1|1,0,0]=3 89 B18R2.6290 [O-][N+](=O)c1ccc(cc1)Cn2cnccc2=O CSC008439299 [0,1,0,0,0,1|2,0,0]=4 90 B18R2.6290 [O-][N+](=O)c1ccc(nc1)Sc2ccccc2Cl CSC046080979 [0,1,0,0,0,1|1,0,0]=3 91 B18R2.9194 Cc1ccc(cc1)Nc2ccc(cc2)[N+](=O)[O-] CSC046233294 [0,1,0,0,0,1|0,0,0]=2 92 B18R2.9194 Cc1ccc(cc1)Sc2ccc(cc2)[N+](=O)[O-] CSC015237432 [0,1,0,0,0,1|0,0,0]=2 93 B18R2.9194 Cc1ccc(cc1)Sc2ccc(cn2)[N+](=O)[O-] CSC015209115 [0,1,0,0,0,1|1,0,0]=3 94 B18R2.9194 [O-][N+](=O)c1ccc(cc1)Nc2ccc(cc2)F CSC015294287 [0,1,0,0,0,1|0,0,0]=2 95 B18R2.9194 [O-][N+](=O)c1ccc(cc1)Oc2ccc(cc2)Br CSC000251176 [0,1,0,0,0,1|0,0,0]=2 96 B18R2.9194 [O-][N+](=O)c1ccc(cc1)Oc2ccc(cc2)Cl CSC014065652 [0,1,0,0,0,1|0,0,0]=2 97 B18R2.9194 [O-][N+](=O)c1ccc(cc1)Oc2ccc(cc2)F CSC025745082 [0,1,0,0,0,1|0,0,0]=2 98 B18R2.9194 [O-][N+](=O)c1ccc(cc1)Oc2ncc(cn2)Br CSC005797292 [0,1,0,0,0,1|2,0,0]=4 99 B18R2.9194 [O-][N+](=O)c1ccc(cc1)Sc2ccc(cc2)F CSC016996088 [0,1,0,0,0,1|0,0,0]=2 100 B18R2.9194 [O-][N+](=O)c1ccc(nc1)Nc2ccc(cc2)F CSC046089368 [0,1,0,0,0,1|1,0,0]=3 101 B18R2.9194 [O-][N+](=O)c1ccc(nc1)Oc2ccc(cc2)Br CSC000270416 [0,1,0,0,0,1|1,0,0]=3 102 B18R2.9194 [O-][N+](=O)c1ccc(nc1)Oc2ccc(cc2)Cl CSC011464107 [0,1,0,0,0,1|1,0,0]=3 103 B18R2.9194 [O-][N+](=O)c1ccc(nc1)Oc2ccc(cc2)F CSC015282738 [0,1,0,0,0,1|1,0,0]=3 104 B18R2.9194 [O-][N+](=O)c1ccc(nc1)Sc2ccc(cc2)Br CSC046135244 [0,1,0,0,0,1|1,0,0]=3 105 B18R2.9194 [O-][N+](=O)c1ccc(nc1)Sc2ccc(cc2)Cl CSC025734620 [0,1,0,0,0,1|1,0,0]=3 106 B18R2.9194 [O-][N+](=O)c1ccc(nc1)Sc2ccc(cc2)F CSC020671257 [0,1,0,0,0,1|1,0,0]=3 107 B18R2.271 CC(=O)Nc1ccc(cc1)c2ccc(cc2)F CSC015185186 [0,1,0,0,0,1|2,0,0]=4 108 B18R2.271 OC(=O)Cc1ccc(cc1)c2ccc(cc2)Cl CSC000015650 [0,1,0,0,0,1|1,0,1]=4 109 B18R2.2609 CNC(=O)Cc1ccc(cc1)c2ccccc2 CSC046269612 [0,1,0,0,0,1|2,0,0]=4 110 B18R2.2609 COC(=O)Cc1ccc(cc1)c2ccccc2 CSC020647734 [0,1,0,0,0,1|1,0,1]=4 111 B18R2.2609 NNC(=O)Cc1ccc(cc1)c2ccccc2 CSC015184197 [0,1,0,0,0,1|2,0,0]=4 112 B18R2.3884 OC(=O)Cc1ccc(cc1)c2cccc(c2)Cl CSC000015600 [0,1,0,0,0,1|1,0,1]=4 113 B18R2.3884 OC(=O)Cc1ccc(cc1)c2cccc(c2)F CSC000012256 [0,1,0,0,0,1|1,0,1]=4 114 B18R2.4727 OC(=O)Cc1ccc(cc1)c2ccccc2Cl CSC000015594 [0,1,0,0,0,1|1,0,1]=4 115 B18R2.32246 CS(=O)(=O)Nc1ccc(cc1)c2ccccc2 CSC000386376 [0,1,0,0,0,1|1,0,1]=4 116 B18R2.54 CCc1ccc(cc1)c2ccc(cc2)C(=O)O CSC000297590 [0,2,0,0,0,0|1,0,1]=4 117 B18R2.54 COc1ccc(cc1)c2ccc(cc2)C(=O)O CSC000274308 [0,2,0,0,0,0|1,0,1]=4 118 B18R2.54 COc1ccc(cc1)c2ccc(cc2)[N+](=O)[O-] CSC009604484 [0,2,0,0,0,0|0,0,0]=2 119 B18R2.54 OC(=O)c1ccc(cc1)c2ccc(cc2)C#N CSC020627249 [0,2,0,0,0,0|1,0,1]=4 120 B18R2.54 OCc1ccc(cc1)c2ccc(cc2)C(=O)O CSC020626252 [0,2,0,0,0,0|1,0,1]=4 121 B18R2.54 [O-][N+](=O)c1ccc(cc1)c2ccc(cc2)C#N CSC015287956 [0,2,0,0,0,0|0,0,0]=2 122 B18R2.4057 OC(=O)c1ccc(cc1)c2ccc(cc2F)F CSC005482677 [0,2,0,0,0,0|1,0,1]=4 123 B18R2.9088 Cc1ccc(cc1C)c2ccc(cc2)C(=O)O CSC005482688 [0,2,0,0,0,0|1,0,1]=4 124 B18R2.9088 Cc1ccc(cc1F)c2ccc(cc2)C(=O)O CSC006007979 [0,2,0,0,0,0|1,0,1]=4 125 B18R2.9476 COC(=O)c1ccc(cc1)c2ccc(cc2)C CSC015369350 [0,2,0,0,0,0|1,0,1]=4 126 B18R2.9476 COC(=O)c1ccc(cc1)c2ccc(cc2)O CSC020631646 [0,2,0,0,0,0|1,0,1]=4 127 B18R2.228 CCOC(=O)c1ccc(cc1)c2ccccc2 CSC000256801 [0,2,0,0,0,0|1,0,1]=4 128 B18R2.286 COC(=O)c1ccc(cc1)c2cccc(c2)N CSC016995116 [0,2,0,0,0,0|1,0,1]=4 129 B18R2.9391 CCC(=O)c1ccc(cc1)c2ccccc2F CSC000297797 [0,2,0,0,0,0|2,0,0]=4 130 B18R2.3882 CS(=O)(=O)c1ccc(cc1)c2cccc(c2)N CSC020585928 [0,2,0,0,0,0|1,0,1]=4 131 B18R2.4726 CS(=O)(=O)c1ccc(cc1)c2ccccc2N CSC046189223 [0,2,0,0,0,0|1,0,1]=4 132 B18R2.2944 COc1cccc(c1)c2ccc(cc2)C(=O)O CSC000297519 [0,2,0,0,0,0|1,0,1]=4 133 B18R2.3663 Cc1cc(cc(c1)c2ccc(cc2)C(=O)O)C CSC005482592 [0,2,0,0,0,0|1,0,1]=4 134 B18R2.3050 COc1ccccc1c2ccc(cc2)C(=O)O CSC000297572 [0,2,0,0,0,0|1,0,1]=4 135 B16R2.2 COc1ccc(cc1)Cc2ccccc2 CSC000065633 [1,0,0,0,0,1|2,0,0]=4 136 B16R2.86 OC(=O)c1cccc(c1)c2ccccc2 CSC011218927 [0,0,0,0,1,1|1,0,1]=4 137 B16R2.86 OC(=O)c1cncc(c1)c2ccccc2 CSC000687314 [0,0,0,0,1,1|1,0,1]=4 138 B18R2.311 NC(=O)Nc1ccc(cc1)Oc2ccccc2 CSC000624576 [0,0,0,0,0,2|2,0,0]=4 139 B18R2.7076 OC(=O)c1ccc(cc1)CNc2ccccc2 CSC000261628 [0,0,0,0,0,2|1,0,1]=4 140 B18R2.7076 [O-][N+](=O)c1ccc(cc1)CSc2ccccc2 CSC046113997 [0,0,0,0,0,2|0,0,0]=2 141 B18R2.7076 [O-][N+](=O)c1ccc(cc1)CSc2ccccn2 CSC046139775 [0,0,0,0,0,2|1,0,0]=3 142 B18R2.7076 [O-][N+](=O)c1ccc(cc1)CSc2ncccn2 CSC046139997 [0,0,0,0,0,2|2,0,0]=4 143 B18R2.7076 [O-][N+](=O)c1ccc(cc1)NCc2ccccc2 CSC000156207 [0,0,0,0,0,2|0,0,0]=2 144 B18R2.7076 [O-][N+](=O)c1ccc(cc1)OCc2ccccn2 CSC015198906 [0,0,0,0,0,2|1,0,0]=3 145 B18R2.7076 [O-][N+](=O)c1ccc(cc1)OCc2cccnc2 CSC015198916 [0,0,0,0,0,2|1,0,0]=3 146 B18R2.7076 [O-][N+](=O)c1ccc(cc1)SCc2ccccc2 CSC000086755 [0,0,0,0,0,2|0,0,0]=2 147 B18R2.7076 [O-][N+](=O)c1ccc(nc1)NCc2ccccn2 CSC000494954 [0,0,0,0,0,2|2,0,0]=4 148 B18R2.7076 [O-][N+](=O)c1ccc(nc1)NCc2cccnc2 CSC000603857 [0,0,0,0,0,2|2,0,0]=4 149 B18R2.7076 [O-][N+](=O)c1ccc(nc1)NCc2ccncc2 CSC000603855 [0,0,0,0,0,2|2,0,0]=4 150 B18R2.7076 [O-][N+](=O)c1ccc(nc1)SCc2ccccc2 CSC046257438 [0,0,0,0,0,2|1,0,0]=3 151 B18R2.7076 [O-][N+](=O)c1ccc(nc1)SCc2ccncc2 CSC046379827 [0,0,0,0,0,2|2,0,0]=4