0 B15R2.2226 C=C(c1ccccc1)c2ccccc2 A14434 [0,0,0,0,0,0|1,0,0]=1 1 B15R2.2226 CN(c1ccccc1)c2ccccc2 B24739 [0,0,0,0,0,0|2,0,0]=2 2 B15R2.2226 CP(c1ccccc1)c2ccccc2 18809 [0,0,0,0,0,0|2,0,0]=2 3 B15R2.2226 CP(c1ccccc1)c2ccccc2 H27159 [0,0,0,0,0,0|2,0,0]=2 4 B15R2.2226 CP(c1ccccc1)c2ccccc2 L19477 [0,0,0,0,0,0|2,0,0]=2 5 B15R2.2226 C[S+](c1ccccc1)c2ccccc2 L00512 [0,0,0,0,0,0|2,0,0]=2 6 B15R2.2226 C[SiH](c1ccccc1)c2ccccc2 L04211 [0,0,0,0,0,0|1,1,0]=2 7 B15R2.2226 c1ccc(cc1)C(=N)c2ccccc2 H30110 [0,0,0,0,0,0|1,0,0]=1 8 B15R2.2226 c1ccc(cc1)C(=O)c2ccccc2 A10739 [0,0,0,0,0,0|0,0,0]=0 9 B15R2.2226 c1ccc(cc1)C(=O)c2ccccn2 A10857 [0,0,0,0,0,0|1,0,0]=1 10 B15R2.2226 c1ccc(cc1)C(=O)c2cccnc2 A16695 [0,0,0,0,0,0|1,0,0]=1 11 B15R2.2226 c1ccc(cc1)C(=O)c2ccncc2 A17945 [0,0,0,0,0,0|1,0,0]=1 12 B15R2.2226 c1ccc(cc1)C(c2ccccc2)Br L02211 [0,0,0,0,0,0|1,0,1]=2 13 B15R2.2226 c1ccc(cc1)C(c2ccccc2)Cl B24764 [0,0,0,0,0,0|1,0,1]=2 14 B15R2.2226 c1ccc(cc1)C(c2ccccc2)N 44459 [0,0,0,0,0,0|1,0,1]=2 15 B15R2.2226 c1ccc(cc1)C(c2ccccc2)N B24303 [0,0,0,0,0,0|1,0,1]=2 16 B15R2.2226 c1ccc(cc1)C(c2ccccc2)N L02388 [0,0,0,0,0,0|1,0,1]=2 17 B15R2.2226 c1ccc(cc1)C(c2ccccc2)O 44454 [0,0,0,0,0,0|0,0,2]=2 18 B15R2.2226 c1ccc(cc1)C(c2ccccc2)O A12884 [0,0,0,0,0,0|0,0,2]=2 19 B15R2.2226 c1ccc(cc1)N(c2ccccc2)N A11289 [0,0,0,0,0,0|2,0,0]=2 20 B15R2.2226 c1ccc(cc1)P(=O)c2ccccc2 B21101 [0,0,0,0,0,0|1,0,0]=1 21 B15R2.2226 c1ccc(cc1)P(c2ccccc2)Cl 41352 [0,0,0,0,0,0|2,0,0]=2 22 B15R2.2226 c1ccc(cc1)P(c2ccccc2)Cl A14241 [0,0,0,0,0,0|2,0,0]=2 23 B15R2.2226 c1ccc(cc1)S(=O)c2ccccc2 B22135 [0,0,0,0,0,0|1,0,0]=1 24 B15R2.2226 c1ccc(cc1)[SiH](c2ccccc2)Cl L03602 [0,0,0,0,0,0|1,1,0]=2 25 B15R2.2226 c1ccnc(c1)C(=O)c2ccccn2 H55322 [0,0,0,0,0,0|2,0,0]=2 26 B15R2.2226 c1ccnc(c1)C(c2ccccn2)N H65060 [0,0,0,0,0,0|3,0,1]=4 27 B14R2.6 c1cc[n+](cc1)[I-][n+]2ccccc2 L19385 [1,0,0,0,0,0|3,0,0]=4 28 B14R2.6 c1ccc(cc1)Cc2ccccc2 B21256 [1,0,0,0,0,0|0,0,1]=2 29 B14R2.6 c1ccc(cc1)Cc2ccccn2 A10662 [1,0,0,0,0,0|1,0,1]=3 30 B14R2.6 c1ccc(cc1)Cc2ccncc2 A14326 [1,0,0,0,0,0|1,0,1]=3 31 B14R2.6 c1ccc(cc1)Nc2ccccc2 36610 [1,0,0,0,0,0|1,0,0]=2 32 B14R2.6 c1ccc(cc1)Nc2ccccc2 A18265 [1,0,0,0,0,0|1,0,0]=2 33 B14R2.6 c1ccc(cc1)Nc2ccccn2 H57909 [1,0,0,0,0,0|2,0,0]=3 34 B14R2.6 c1ccc(cc1)Oc2ccccc2 A15791 [1,0,0,0,0,0|1,0,0]=2 35 B14R2.6 c1ccc(cc1)Oc2ccccc2 H30347 [1,0,0,0,0,0|1,0,0]=2 36 B14R2.6 c1ccc(cc1)Pc2ccccc2 56169 [1,0,0,0,0,0|1,0,0]=2 37 B14R2.6 c1ccc(cc1)Pc2ccccc2 H37175 [1,0,0,0,0,0|1,0,0]=2 38 B14R2.6 c1ccc(cc1)Sc2ccccc2 A11114 [1,0,0,0,0,0|1,0,0]=2 39 B14R2.6 c1ccc(cc1)[Hg]c2ccccc2 37119 [1,0,0,0,0,0|1,0,0]=2 40 B14R2.6 c1ccc(cc1)[I+]c2ccccc2 A15149 [1,0,0,0,0,0|1,0,0]=2 41 B14R2.6 c1ccc(cc1)[I+]c2ccccc2 A17934 [1,0,0,0,0,0|1,0,0]=2 42 B14R2.6 c1ccc(cc1)[I+]c2ccccc2 A19438 [1,0,0,0,0,0|1,0,0]=2 43 B14R2.6 c1ccc(cc1)[I+]c2ccccc2 B21861 [1,0,0,0,0,0|1,0,0]=2 44 B14R2.6 c1ccc(cc1)[I+]c2ccccc2 L17444 [1,0,0,0,0,0|1,0,0]=2 45 B14R2.6 c1ccc(cc1)[Pt]c2ccccc2 44039 [1,0,0,0,0,0|1,0,0]=2 46 B14R2.6 c1ccc(cc1)[Se]c2ccccc2 A18364 [1,0,0,0,0,0|1,0,0]=2 47 B14R2.6 c1ccc(cc1)[SiH2]c2ccccc2 A10884 [1,0,0,0,0,0|0,1,0]=2 48 B14R2.6 c1ccc(cc1)[Sn+2]c2ccccc2 39614 [1,0,0,0,0,0|1,0,0]=2 49 B14R2.6 c1ccc(cc1)[Sn+2]c2ccccc2 39615 [1,0,0,0,0,0|1,0,0]=2 50 B14R2.6 c1ccc(cc1)[Sn+2]c2ccccc2 71139 [1,0,0,0,0,0|1,0,0]=2 51 B14R2.6 c1ccc(cc1)[Zn]c2ccccc2 87908 [1,0,0,0,0,0|1,0,0]=2 52 B16R2.120 Cc1ccc(cc1)C(=O)c2ccccc2 A15479 [0,1,0,0,0,0|0,0,0]=1 53 B16R2.120 Cc1ccc(cc1)C(c2ccccc2)N 44455 [0,1,0,0,0,0|1,0,1]=3 54 B16R2.120 Cc1ccc(cc1)C(c2ccccc2)O A16904 [0,1,0,0,0,0|0,0,2]=3 55 B16R2.120 c1cc(ccc1C(=O)c2ccncc2)Cl B22551 [0,1,0,0,0,0|1,0,0]=2 56 B16R2.120 c1cc(ccc1C(=O)c2ccncc2)F B22327 [0,1,0,0,0,0|1,0,0]=2 57 B16R2.120 c1ccc(cc1)C(=O)c2ccc(cc2)Br A14755 [0,1,0,0,0,0|0,0,0]=1 58 B16R2.120 c1ccc(cc1)C(=O)c2ccc(cc2)Cl A17458 [0,1,0,0,0,0|0,0,0]=1 59 B16R2.120 c1ccc(cc1)C(=O)c2ccc(cc2)F A11185 [0,1,0,0,0,0|0,0,0]=1 60 B16R2.120 c1ccc(cc1)C(=O)c2ccc(cc2)N A13757 [0,1,0,0,0,0|0,0,0]=1 61 B16R2.120 c1ccc(cc1)C(=O)c2ccc(cc2)O A15096 [0,1,0,0,0,0|0,0,0]=1 62 B16R2.120 c1ccc(cc1)C(c2ccc(cc2)Cl)Cl B22778 [0,1,0,0,0,0|1,0,1]=3 63 B16R2.120 c1ccc(cc1)C(c2ccc(cc2)Cl)O B23691 [0,1,0,0,0,0|0,0,2]=3 64 B16R2.120 c1ccc(cc1)[C@@H](c2ccc(cc2)Cl)N H61482 [0,1,0,0,0,0|1,0,1]=3 65 B16R2.120 c1ccc(cc1)[C@@H](c2ccc(cc2)Cl)N H63301 [0,1,0,0,0,0|1,0,1]=3 66 B16R2.187 CCC(c1ccccc1)c2ccccc2 L09274 [0,1,0,0,0,0|1,0,1]=3 67 B16R2.187 CCP(c1ccccc1)c2ccccc2 A18292 [0,1,0,0,0,0|2,0,0]=3 68 B16R2.187 CNC(c1ccccc1)c2ccccc2 H50327 [0,1,0,0,0,0|1,0,1]=3 69 B16R2.187 COP(c1ccccc1)c2ccccc2 A11555 [0,1,0,0,0,0|1,0,1]=3 70 B16R2.187 c1ccc(cc1)C(=NN)c2ccccc2 A12266 [0,1,0,0,0,0|1,0,0]=2 71 B16R2.187 c1ccc(cc1)C(=NO)c2ccccc2 A14037 [0,1,0,0,0,0|0,0,1]=2 72 B16R2.187 c1ccc(cc1)C(C#N)c2ccccc2 L02404 [0,1,0,0,0,0|1,0,1]=3 73 B16R2.187 c1ccc(cc1)C(C=O)c2ccccc2 H56547 [0,1,0,0,0,0|0,0,1]=2 74 B16R2.187 c1ccc(cc1)N(c2ccccc2)P=O A16657 [0,1,0,0,0,0|1,0,0]=2 75 B16R2.187 c1ccc(cc1)\C(=N/O)\c2ccccn2 H53421 [0,1,0,0,0,0|1,0,1]=3 76 B16R2.187 c1ccnc(c1)C(=NO)c2ccccn2 H58153 [0,1,0,0,0,0|2,0,1]=4 77 B16R2.236 Cc1cccc(c1)C(=O)c2ccccc2 A19568 [0,1,0,0,0,0|0,0,0]=1 78 B16R2.236 Cc1cccc(c1)C(=O)c2ccccc2 B25661 [0,1,0,0,0,0|0,0,0]=1 79 B16R2.236 c1ccc(cc1)C(=O)c2cccc(c2)Br H53505 [0,1,0,0,0,0|0,0,0]=1 80 B16R2.236 c1ccc(cc1)C(=O)c2cccc(c2)Cl B23085 [0,1,0,0,0,0|0,0,0]=1 81 B16R2.236 c1ccc(cc1)C(=O)c2cccc(c2)F H31696 [0,1,0,0,0,0|0,0,0]=1 82 B16R2.236 c1ccc(cc1)C(=O)c2cccc(c2)N L08960 [0,1,0,0,0,0|0,0,0]=1 83 B16R2.236 c1ccc(cc1)C(=O)c2cccc(c2)O A18061 [0,1,0,0,0,0|0,0,0]=1 84 B16R2.2945 CP(=O)(c1ccccc1)c2ccccc2 A11484 [0,1,0,0,0,0|1,0,0]=2 85 B16R2.2945 C[Si](c1ccccc1)(c2ccccc2)Cl L04162 [0,1,0,0,0,0|1,1,0]=3 86 B16R2.2945 C[Sn](C)(c1ccccc1)c2ccccc2 39617 [0,1,0,0,0,0|2,0,0]=3 87 B16R2.2945 c1ccc(cc1)C(c2ccccc2)(Cl)Cl L20445 [0,1,0,0,0,0|1,0,1]=3 88 B16R2.2945 c1ccc(cc1)P(=O)(c2ccccc2)Cl A11721 [0,1,0,0,0,0|1,0,0]=2 89 B16R2.2945 c1ccc(cc1)P(=O)(c2ccccc2)O A11563 [0,1,0,0,0,0|1,0,0]=2 90 B16R2.2945 c1ccc(cc1)S(=O)(=O)c2ccccc2 L08232 [0,1,0,0,0,0|1,0,0]=2 91 B16R2.2945 c1ccc(cc1)[Ge](c2ccccc2)(Cl)Cl 34113 [0,1,0,0,0,0|1,1,0]=3 92 B16R2.2945 c1ccc(cc1)[Si](c2ccccc2)(Cl)Cl A12051 [0,1,0,0,0,0|1,1,0]=3 93 B16R2.2945 c1ccc(cc1)[Si](c2ccccc2)(O)O A10492 [0,1,0,0,0,0|0,1,1]=3 94 B16R2.3896 Cc1ccccc1C(=O)c2ccccc2 A14779 [0,1,0,0,0,0|0,0,0]=1 95 B16R2.3896 Cc1ccccc1C(c2ccccc2)O B23021 [0,1,0,0,0,0|0,0,2]=3 96 B16R2.3896 c1ccc(cc1)C(=O)c2ccccc2Cl A15867 [0,1,0,0,0,0|0,0,0]=1 97 B16R2.3896 c1ccc(cc1)C(=O)c2ccccc2F L09316 [0,1,0,0,0,0|0,0,0]=1 98 B16R2.3896 c1ccc(cc1)C(=O)c2ccccc2N A12580 [0,1,0,0,0,0|0,0,0]=1 99 B16R2.3896 c1ccc(cc1)C(=O)c2ccccc2O L11100 [0,1,0,0,0,0|0,0,0]=1 100 B16R3.20606 c1cc2c(nc1)-c3c(cccn3)C2=O H56028 [0,0,0,1,0,0|2,0,0]=3 101 B16R3.20606 c1ccc2c(c1)-c3ccccc3C2=O A12910 [0,0,0,1,0,0|0,0,0]=1 102 B16R3.20606 c1ccc2c(c1)-c3ccccc3C2Br A10428 [0,0,0,1,0,0|1,0,1]=3 103 B16R3.20606 c1ccc2c(c1)-c3ccccc3C2Cl H50352 [0,0,0,1,0,0|1,0,1]=3 104 B16R3.20606 c1ccc2c(c1)-c3ccccc3C2N L05156 [0,0,0,1,0,0|1,0,1]=3 105 B16R3.20606 c1ccc2c(c1)-c3ccccc3C2O L01917 [0,0,0,1,0,0|0,0,2]=3 106 B14R2.114 c1ccc(cc1)C(=O)C2=CC=CC2 A17685 [0,0,0,0,1,0|0,0,1]=2 107 B14R2.114 c1ccc(cc1)C(=O)c2cccs2 A12036 [0,0,0,0,1,0|1,0,0]=2 108 B14R2.114 c1ccc(cc1)C(=O)n2ccnc2 L00657 [0,0,0,0,1,0|2,0,0]=3 109 B16R2.88 C\C(=C/c1ccccc1)\c2ccccc2 A15351 [0,0,0,0,0,1|1,0,0]=2 110 B16R2.88 c1ccc(cc1)C(=N)Nc2ccccc2 A13219 [0,0,0,0,0,1|1,0,0]=2 111 B16R2.88 c1ccc(cc1)C(=O)C[n+]2ccccc2 B22437 [0,0,0,0,0,1|1,0,0]=2 112 B16R2.88 c1ccc(cc1)C(=O)Nc2ccccc2 A11086 [0,0,0,0,0,1|0,0,0]=1 113 B16R2.88 c1ccc(cc1)C(=O)Oc2ccccc2 B22986 [0,0,0,0,0,1|0,0,0]=1 114 B16R2.88 c1ccc(cc1)CC(=O)c2ccccc2 A10580 [0,0,0,0,0,1|0,0,0]=1 115 B16R2.88 c1ccc(cc1)CN(c2ccccc2)N A17367 [0,0,0,0,0,1|2,0,0]=3 116 B16R2.88 c1ccc(cc1)NC(=O)c2cccnc2 L06154 [0,0,0,0,0,1|1,0,0]=2 117 B16R2.88 c1ccc(cc1)OC(=O)c2cccnc2 B22219 [0,0,0,0,0,1|1,0,0]=2 118 B16R2.88 c1ccc(cc1)\C=[N+](\c2ccccc2)/[O-] L00185 [0,0,0,0,0,1|1,0,1]=3 119 B16R2.88 c1ccc(cc1)\N=[N+](\c2ccccc2)/[O-] B20021 [0,0,0,0,0,1|1,0,1]=3 120 B15R2.29 Cc1ccc(cc1)Nc2ccccc2 44560 [1,1,0,0,0,0|1,0,0]=3 121 B15R2.29 c1cc(ccc1Cc2ccncc2)Cl A10673 [1,1,0,0,0,0|1,0,1]=4 122 B15R2.29 c1ccc(cc1)Cc2ccc(cc2)N L19873 [1,1,0,0,0,0|0,0,1]=3 123 B15R2.29 c1ccc(cc1)Cc2ccc(cc2)O B22538 [1,1,0,0,0,0|0,0,1]=3 124 B15R2.29 c1ccc(cc1)Nc2ccc(cc2)N B23867 [1,1,0,0,0,0|1,0,0]=3 125 B15R2.29 c1ccc(cc1)Nc2ccc(cc2)O L18945 [1,1,0,0,0,0|1,0,0]=3 126 B15R2.29 c1ccc(cc1)Oc2ccc(cc2)Br L01473 [1,1,0,0,0,0|1,0,0]=3 127 B15R2.29 c1ccc(cc1)Oc2ccc(cc2)F B21380 [1,1,0,0,0,0|1,0,0]=3 128 B15R2.29 c1ccc(cc1)Oc2ccc(cc2)N A16048 [1,1,0,0,0,0|1,0,0]=3 129 B15R2.29 c1ccc(cc1)Oc2ccc(cc2)O A18489 [1,1,0,0,0,0|1,0,0]=3 130 B15R2.29 c1ccc(cc1)Oc2ccc(cc2)[Mg+] H54411 [1,1,0,0,0,0|1,0,0]=3 131 B15R2.29 c1ccnc(c1)Cc2ccc(cc2)Cl B23170 [1,1,0,0,0,0|1,0,1]=4 132 B15R2.31 Cc1cccc(c1)Nc2ccccc2 B25441 [1,1,0,0,0,0|1,0,0]=3 133 B15R2.31 Cc1cccc(c1)Oc2ccccc2 B21899 [1,1,0,0,0,0|1,0,0]=3 134 B15R2.31 c1ccc(cc1)Cc2cccc(c2)N L19872 [1,1,0,0,0,0|0,0,1]=3 135 B15R2.31 c1ccc(cc1)Nc2cccc(c2)O L03678 [1,1,0,0,0,0|1,0,0]=3 136 B15R2.31 c1ccc(cc1)Oc2cccc(c2)N A17495 [1,1,0,0,0,0|1,0,0]=3 137 B15R2.31 c1ccc(cc1)Oc2cccc(c2)O A17865 [1,1,0,0,0,0|1,0,0]=3 138 B15R2.38 c1ccc(cc1)Cc2ccccc2O B22246 [1,1,0,0,0,0|0,0,1]=3 139 B15R2.38 c1ccc(cc1)Nc2ccccc2N L11616 [1,1,0,0,0,0|1,0,0]=3 140 B15R2.38 c1ccc(cc1)Oc2ccccc2N L05558 [1,1,0,0,0,0|1,0,0]=3 141 B15R2.91 c1cc(sc1)C(=O)c2ccc(cc2)F B25533 [0,1,0,0,1,0|1,0,0]=3 142 B15R2.353 c1ccc(cc1)S(=O)(=O)c2cccs2 A10769 [0,1,0,0,1,0|2,0,0]=4 143 B15R2.353 c1ccc(cc1)S(=O)(=O)c2ccsc2 A13361 [0,1,0,0,1,0|2,0,0]=4 144 B15R2.353 c1ccc(cc1)S(=O)(=O)n2cccc2 A11599 [0,1,0,0,1,0|2,0,0]=4 145 B17R2.162 CCN(Cc1ccccc1)c2ccccc2 A19882 [0,1,0,0,0,1|2,0,0]=4 146 B17R2.192 Cc1ccc(cc1)C(=O)Nc2ccccc2 H57070 [0,1,0,0,0,1|0,0,0]=2 147 B17R2.192 c1ccc(cc1)CC(=O)c2ccc(cc2)Br B22159 [0,1,0,0,0,1|0,0,0]=2 148 B17R2.192 c1ccc(cc1)CC(=O)c2ccc(cc2)Cl A15959 [0,1,0,0,0,1|0,0,0]=2 149 B17R2.192 c1ccc(cc1)NC(=O)c2ccc(cc2)Br H50597 [0,1,0,0,0,1|0,0,0]=2 150 B17R2.192 c1ccc(cc1)NC(=O)c2ccc(cc2)Cl H59590 [0,1,0,0,0,1|0,0,0]=2 151 B17R2.192 c1ccc(cc1)NC(=O)c2ccc(cc2)F H58074 [0,1,0,0,0,1|0,0,0]=2 152 B17R2.209 c1ccc(cc1)C(=O)Nc2ccc(cc2)N B25663 [0,1,0,0,0,1|0,0,0]=2 153 B17R2.209 c1ccc(cc1)C(=O)Oc2ccc(cc2)O L09350 [0,1,0,0,0,1|0,0,0]=2 154 B17R2.3417 c1ccc(cc1)NC(=O)c2ccccc2Cl H59623 [0,1,0,0,0,1|0,0,0]=2 155 B17R2.3417 c1ccc(cc1)NC(=O)c2ccccc2F H59063 [0,1,0,0,0,1|0,0,0]=2 156 B17R2.3417 c1ccc(cc1)NC(=O)c2ccccc2N L11451 [0,1,0,0,0,1|0,0,0]=2 157 B17R2.3417 c1ccc(cc1)NC(=O)c2ccccc2O A10335 [0,1,0,0,0,1|0,0,0]=2 158 B17R2.3417 c1ccc(cc1)OC(=O)c2ccccc2O B20686 [0,1,0,0,0,1|0,0,0]=2 159 B17R2.3426 Cc1ccccc1OC(=O)c2ccccc2 L11834 [0,1,0,0,0,1|0,0,0]=2 160 B17R2.5273 Cc1cccc(c1)C(=O)Nc2ccccc2 H59218 [0,1,0,0,0,1|0,0,0]=2 161 B17R2.5273 c1ccc(cc1)NC(=O)c2cccc(c2)Cl H58553 [0,1,0,0,0,1|0,0,0]=2 162 B17R2.5273 c1ccc(cc1)NC(=O)c2ccnc(c2)Cl H57053 [0,1,0,0,0,1|1,0,0]=3 163 B17R2.5293 c1ccc(cc1)C(=O)Oc2cccc(c2)O A19150 [0,1,0,0,0,1|0,0,0]=2 164 B17R2.10205 c1ccc(cc1)C(=O)C(=O)c2ccccc2 A12579 [0,1,0,0,0,1|0,0,0]=2 165 B17R2.10205 c1ccc(cc1)C(=O)N(c2ccccc2)O A11950 [0,1,0,0,0,1|0,0,0]=2 166 B17R2.10205 c1ccc(cc1)C(C(=O)c2ccccc2)Br H32691 [0,1,0,0,0,1|0,0,0]=2 167 B17R2.10205 c1ccc(cc1)C(C(=O)c2ccccc2)Cl B21778 [0,1,0,0,0,1|0,0,0]=2 168 B17R2.10205 c1ccc(cc1)C(C(=O)c2ccccc2)O A10188 [0,1,0,0,0,1|0,0,0]=2 169 B17R2.10205 c1ccc(cc1)C(C(=O)c2ccccc2)O B21559 [0,1,0,0,0,1|0,0,0]=2 170 B17R2.10205 c1ccc(cc1)C(C(=O)c2ccccc2)O B24671 [0,1,0,0,0,1|0,0,0]=2 171 B17R2.10205 c1ccc(cc1)[C@@H]([C@@H](c2ccccc2)O)N H27607 [0,1,0,0,0,1|0,0,2]=4 172 B17R2.10205 c1ccc(cc1)[C@@H]([C@H](c2ccccc2)N)N L12968 [0,1,0,0,0,1|1,0,1]=4 173 B17R2.10205 c1ccc(cc1)[C@@H]([C@H](c2ccccc2)O)O L14082 [0,1,0,0,0,1|0,0,2]=4 174 B17R2.10205 c1ccc(cc1)[C@H]([C@@H](c2ccccc2)N)N L09558 [0,1,0,0,0,1|1,0,1]=4 175 B17R2.10205 c1ccc(cc1)[C@H]([C@H](c2ccccc2)Br)Br L04956 [0,1,0,0,0,1|1,0,1]=4 176 B17R2.10205 c1ccc(cc1)[C@H]([C@H](c2ccccc2)O)N H27834 [0,1,0,0,0,1|0,0,2]=4 177 B17R2.10205 c1ccc(cc1)[C@H]([C@H](c2ccccc2)O)O B23946 [0,1,0,0,0,1|0,0,2]=4 178 B17R2.20249 c1ccc(cc1)CS(=O)(=O)c2ccccc2 L04201 [0,1,0,0,0,1|1,0,0]=3 179 B17R2.20249 c1ccc(cc1)NS(=O)(=O)c2ccccc2 H55189 [0,1,0,0,0,1|1,0,0]=3 180 B17R2.20249 c1ccc(cc1)S(=O)(=O)Nc2ccccn2 H56911 [0,1,0,0,0,1|2,0,0]=4 181 B17R2.20249 c1ccc(cc1)S(=O)(=O)Nc2cccnc2 H56931 [0,1,0,0,0,1|2,0,0]=4 182 B17R2.20249 c1ccc(cc1)S(=O)(=O)Nc2ccncc2 H56902 [0,1,0,0,0,1|2,0,0]=4 183 B17R2.68 CCc1ccc(cc1)C(=O)c2ccccc2 B24484 [0,2,0,0,0,0|0,0,0]=2 184 B17R2.68 COc1ccc(cc1)C(=O)c2ccccc2 B23123 [0,2,0,0,0,0|0,0,0]=2 185 B17R2.68 COc1ccc(cc1)C(c2ccccc2)O L00468 [0,2,0,0,0,0|0,0,2]=4 186 B17R2.68 c1ccc(cc1)C(=O)c2ccc(cc2)C#N A15764 [0,2,0,0,0,0|0,0,0]=2 187 B17R2.203 CC(C)(c1ccccc1)c2ccc(cc2)O B23410 [0,2,0,0,0,0|1,0,1]=4 188 B17R2.203 Cc1ccc(cc1)S(=O)(=O)c2ccccc2 L03128 [0,2,0,0,0,0|1,0,0]=3 189 B17R2.217 Cc1ccc(cc1)C(=O)c2ccc(cc2)C A14111 [0,2,0,0,0,0|0,0,0]=2 190 B17R2.217 Cc1ccc(cc1)C(c2ccc(cc2)C)O L05904 [0,2,0,0,0,0|0,0,2]=4 191 B17R2.217 Cc1ccc(cc1)P(=O)c2ccc(cc2)C H61504 [0,2,0,0,0,0|1,0,0]=3 192 B17R2.217 Cc1ccc(cc1)P(c2ccc(cc2)C)Cl H25889 [0,2,0,0,0,0|2,0,0]=4 193 B17R2.217 c1cc(ccc1C(=O)c2ccc(cc2)Br)Br L08200 [0,2,0,0,0,0|0,0,0]=2 194 B17R2.217 c1cc(ccc1C(=O)c2ccc(cc2)Cl)Cl A12608 [0,2,0,0,0,0|0,0,0]=2 195 B17R2.217 c1cc(ccc1C(=O)c2ccc(cc2)Cl)O B23270 [0,2,0,0,0,0|0,0,0]=2 196 B17R2.217 c1cc(ccc1C(=O)c2ccc(cc2)F)F A10653 [0,2,0,0,0,0|0,0,0]=2 197 B17R2.217 c1cc(ccc1C(=O)c2ccc(cc2)O)O A15097 [0,2,0,0,0,0|0,0,0]=2 198 B17R2.217 c1cc(ccc1C(c2ccc(cc2)Cl)O)Cl L02327 [0,2,0,0,0,0|0,0,2]=4 199 B17R2.217 c1cc(ccc1C(c2ccc(cc2)F)Cl)F A11226 [0,2,0,0,0,0|1,0,1]=4 200 B17R2.217 c1cc(ccc1C(c2ccc(cc2)F)O)F A14370 [0,2,0,0,0,0|0,0,2]=4 201 B17R2.217 c1cc(ccc1F)P(c2ccc(cc2)F)Cl H26953 [0,2,0,0,0,0|2,0,0]=4 202 B17R2.217 c1cc(ccc1P(c2ccc(cc2)Cl)Cl)Cl H25886 [0,2,0,0,0,0|2,0,0]=4 203 B17R2.219 Cc1ccc(cc1C)C(=O)c2ccccc2 B20965 [0,2,0,0,0,0|0,0,0]=2 204 B17R2.219 c1ccc(cc1)C(=O)c2ccc(c(c2)Cl)Cl B22947 [0,2,0,0,0,0|0,0,0]=2 205 B17R2.219 c1ccc(cc1)C(=O)c2ccc(c(c2)F)F A13067 [0,2,0,0,0,0|0,0,0]=2 206 B17R2.219 c1ccc(cc1)C(=O)c2ccc(c(c2)N)N A13863 [0,2,0,0,0,0|0,0,0]=2 207 B17R2.219 c1ccc(cc1)C(=O)c2ccc(c(c2)O)O B25079 [0,2,0,0,0,0|0,0,0]=2 208 B17R2.381 c1ccc(c(c1)C(=O)c2ccc(cc2)Cl)Cl L07648 [0,2,0,0,0,0|0,0,0]=2 209 B17R2.381 c1ccc(c(c1)C(=O)c2ccc(cc2)F)F L10306 [0,2,0,0,0,0|0,0,0]=2 210 B17R2.381 c1ccc(c(c1)C(=O)c2ccc(cc2)O)F L15494 [0,2,0,0,0,0|0,0,0]=2 211 B17R2.5362 c1ccc(cc1)C(=O)c2ccc(cc2F)F B23046 [0,2,0,0,0,0|0,0,0]=2 212 B17R2.5362 c1ccc(cc1)C(=O)c2ccc(cc2O)O A13749 [0,2,0,0,0,0|0,0,0]=2 213 B17R2.159 C=CCP(c1ccccc1)c2ccccc2 30303 [0,2,0,0,0,0|2,0,0]=4 214 B17R2.159 CCCP(c1ccccc1)c2ccccc2 L02402 [0,2,0,0,0,0|2,0,0]=4 215 B17R2.159 CCOP(c1ccccc1)c2ccccc2 A15087 [0,2,0,0,0,0|1,0,1]=4 216 B17R2.159 c1ccc(cc1)C(CCBr)c2ccccc2 B25552 [0,2,0,0,0,0|1,0,1]=4 217 B17R2.159 c1ccc(cc1)C(CCN)c2ccccc2 B22953 [0,2,0,0,0,0|1,0,1]=4 218 B17R2.159 c1ccc(cc1)C(c2ccccc2)N=C=S L19249 [0,2,0,0,0,0|0,1,1]=4 219 B17R2.159 c1ccc(cc1)P(CCN)c2ccccc2 H27070 [0,2,0,0,0,0|2,0,0]=4 220 B17R2.159 c1ccc(cc1)P(CC[NH3+])c2ccccc2 H60337 [0,2,0,0,0,0|2,0,0]=4 221 B17R2.2712 C#CC(c1ccccc1)(c2ccccc2)O B21428 [0,2,0,0,0,0|0,0,2]=4 222 B17R2.2712 CC(C#N)(c1ccccc1)c2ccccc2 A17991 [0,2,0,0,0,0|1,0,1]=4 223 B17R2.2712 CC(CN)(c1ccccc1)c2ccccc2 L15615 [0,2,0,0,0,0|1,0,1]=4 224 B17R2.5711 CC(C)P(c1ccccc1)c2ccccc2 H27565 [0,2,0,0,0,0|2,0,0]=4 225 B17R2.5711 c1ccc(cc1)C(c2ccccc2)C(=O)Cl L00171 [0,2,0,0,0,0|0,0,1]=3 226 B17R2.5711 c1ccc(cc1)C(c2ccccc2)C(=O)N L08485 [0,2,0,0,0,0|0,0,1]=3 227 B17R2.5711 c1ccc(cc1)C(c2ccccc2)C(=O)O A11489 [0,2,0,0,0,0|0,0,1]=3 228 B17R2.5711 c1ccc(cc1)N(c2ccccc2)C(=O)Cl B23116 [0,2,0,0,0,0|1,0,0]=3 229 B17R2.3218 c1ccc(cc1)C(=O)c2cc(cc(c2)F)F B20554 [0,2,0,0,0,0|0,0,0]=2 230 B17R2.3218 c1ccc(cc1)C(c2cc(cc(c2)F)F)O H31848 [0,2,0,0,0,0|0,0,2]=4 231 B17R2.5272 c1cc(cc(c1)F)C(=O)c2cccc(c2)F L10086 [0,2,0,0,0,0|0,0,0]=2 232 B17R2.5272 c1cc(cc(c1)N)C(=O)c2cccc(c2)N L09128 [0,2,0,0,0,0|0,0,0]=2 233 B17R2.5305 c1ccc(cc1)C(=O)c2cccc(c2F)F A19951 [0,2,0,0,0,0|0,0,0]=2 234 B17R2.5356 c1ccc(cc1)C(=O)c2cc(ccc2F)F B22926 [0,2,0,0,0,0|0,0,0]=2 235 B17R2.5356 c1ccc(cc1)C(=O)c2cc(ccc2N)Br H66489 [0,2,0,0,0,0|0,0,0]=2 236 B17R2.5356 c1ccc(cc1)C(=O)c2cc(ccc2N)Cl A15720 [0,2,0,0,0,0|0,0,0]=2 237 B17R2.5356 c1ccc(cc1)C(=O)c2cc(ccc2O)Br B25507 [0,2,0,0,0,0|0,0,0]=2 238 B17R2.1066 COc1ccccc1C(=O)c2ccccc2 B23376 [0,2,0,0,0,0|0,0,0]=2 239 B17R2.5268 c1ccc(cc1)C(=O)c2c(cccc2F)F B22738 [0,2,0,0,0,0|0,0,0]=2 240 B17R2.20511 Cc1ccccc1P(c2ccccc2C)Cl H25890 [0,2,0,0,0,0|2,0,0]=4 241 B17R2.20511 c1ccc(c(c1)C(=O)c2ccccc2Cl)Cl L06144 [0,2,0,0,0,0|0,0,0]=2 242 B15R2.17 c1ccc(cc1)c2cccc(c2)C=O H50453 [0,0,1,1,0,0|2,0,0]=4 243 B15R3.3 c1ccc-2c(c1)Cc3c2cccc3 L02124 [1,0,0,1,0,0|0,0,1]=3 244 B15R3.3 c1ccc2c(c1)c3ccccc3[nH]2 A11448 [1,0,0,1,0,0|1,0,0]=3 245 B15R3.3 c1ccc2c(c1)c3ccccc3o2 A16521 [1,0,0,1,0,0|1,0,0]=3 246 B15R3.3 c1ccc2c(c1)c3ccccc3s2 A12288 [1,0,0,1,0,0|1,0,0]=3 247 B17R3.1927 c1ccc(cc1)C2CC2c3ccccc3 L08833 [0,0,0,1,0,1|1,0,1]=4 248 B17R3.8708 c1ccc(cc1)c2[nH]c3ccccc3n2 A10996 [0,0,0,1,0,1|1,0,0]=3 249 B17R3.8708 c1ccc(cc1)c2cc3c(o2)cccn3 H34247 [0,0,0,1,0,1|1,0,1]=4 250 B17R3.8708 c1ccc(cc1)c2cc3ccccc3[nH]2 B23674 [0,0,0,1,0,1|1,0,0]=3 251 B17R3.8708 c1ccc(cc1)c2nc3ccccc3o2 B24906 [0,0,0,1,0,1|0,0,1]=3 252 B17R3.8708 c1ccc(cc1)c2nc3ccccc3s2 L02259 [0,0,0,1,0,1|0,1,0]=3 253 B17R3.8708 c1ccc2c(c1)[nH]c(n2)c3ccccn3 L01339 [0,0,0,1,0,1|2,0,0]=4 254 B17R3.8708 c1ccc2c(c1)[nH]c(n2)c3cccnc3 H51785 [0,0,0,1,0,1|2,0,0]=4 255 B17R3.8708 c1ccc2c(c1)[nH]c(n2)c3ccncc3 H51778 [0,0,0,1,0,1|2,0,0]=4 256 B17R3.54615 c1ccc2c(c1)c3ccccc3[n+](n2)[O-] B22547 [0,0,0,1,0,1|1,0,1]=4 257 B17R3.54615 c1ccc2c(c1)c3ccccc3[nH]c2=O B25187 [0,0,0,1,0,1|0,0,0]=2 258 B17R3.54615 c1ccc2c(c1)cc(c3c2cccc3)Br L09033 [0,0,0,1,0,1|1,0,0]=3 259 B17R3.54615 c1ccc2c(c1)cc(c3c2cccc3)N H55773 [0,0,0,1,0,1|1,0,0]=3 260 B17R3.54615 c1ccc2c(c1)cc(c3c2cccc3)[Mg+] H54545 [0,0,0,1,0,1|1,0,0]=3 261 B17R3.182920 C=Cn1c2ccccc2c3c1cccc3 H56174 [0,1,0,1,0,0|2,0,0]=4 262 B17R3.182920 CCn1c2ccccc2c3c1cccc3 A11653 [0,1,0,1,0,0|2,0,0]=4 263 B17R3.182920 c1ccc2c(c1)-c3ccccc3C2=NN B21706 [0,1,0,1,0,0|1,0,0]=3 264 B17R3.182920 c1ccc2c(c1)-c3ccccc3C2=NO L03950 [0,1,0,1,0,0|0,0,1]=3 265 B17R3.182920 c1ccc2c(c1)-c3ccccc3C2CO A15212 [0,1,0,1,0,0|0,0,2]=4 266 B17R3.31819 c1ccc2c(c1)-c3ccc(cc3C2=O)Br H55962 [0,1,0,1,0,0|0,0,0]=2 267 B17R3.31819 c1ccc2c(c1)-c3ccc(cc3C2=O)F H55344 [0,1,0,1,0,0|0,0,0]=2 268 B17R3.31819 c1ccc2c(c1)-c3ccc(cc3C2=O)N H55048 [0,1,0,1,0,0|0,0,0]=2 269 B17R3.31819 c1ccc2c(c1)-c3ccc(cc3C2=O)O H55133 [0,1,0,1,0,0|0,0,0]=2 270 B17R3.35227 CN1c2ccccc2Sc3c1cccc3 B21648 [0,1,0,1,0,0|2,0,0]=4 271 B17R3.35227 Cc1c2ccccc2cc3c1cccc3 A15699 [0,1,0,1,0,0|1,0,0]=3 272 B17R3.35227 Cc1c2ccccc2nc3c1cccc3 H33718 [0,1,0,1,0,0|1,0,0]=3 273 B17R3.35227 c1ccc2c(c1)C(c3ccccc3O2)O A13476 [0,1,0,1,0,0|0,0,2]=4 274 B17R3.35227 c1ccc2c(c1)Cc3ccccc3C2=O 30739 [0,1,0,1,0,0|0,0,0]=2 275 B17R3.35227 c1ccc2c(c1)Cc3ccccc3C2=O A19118 [0,1,0,1,0,0|0,0,0]=2 276 B17R3.35227 c1ccc2c(c1)c(=O)c3c(o2)cccn3 A12045 [0,1,0,1,0,0|1,0,0]=3 277 B17R3.35227 c1ccc2c(c1)c(=O)c3ccccc3[nH]2 A15222 [0,1,0,1,0,0|0,0,0]=2 278 B17R3.35227 c1ccc2c(c1)c(=O)c3ccccc3o2 A14812 [0,1,0,1,0,0|0,0,0]=2 279 B17R3.35227 c1ccc2c(c1)c(=O)c3ccccc3s2 B23764 [0,1,0,1,0,0|0,0,0]=2 280 B17R3.35227 c1ccc2c(c1)c(c3ccccc3n2)N B24356 [0,1,0,1,0,0|1,0,0]=3 281 B17R3.35227 c1ccc2c(c1)cc3ccccc3c2Br L06733 [0,1,0,1,0,0|1,0,0]=3 282 B17R3.35227 c1ccc2c(c1)cc3ccccc3c2Cl L01092 [0,1,0,1,0,0|1,0,0]=3 283 B17R3.51174 c1ccc2c(c1)-c3cccc(c3C2=O)N H59747 [0,1,0,1,0,0|0,0,0]=2 284 B13R2.3 c1cc[n+](cc1)c2ccncc2 H55351 [1,0,0,0,1,0|2,0,0]=4 285 B13R2.3 c1ccc(cc1)c2ccccc2 A10265 [1,0,0,0,1,0|0,0,0]=2 286 B13R2.3 c1ccc(cc1)c2ccccn2 44282 [1,0,0,0,1,0|1,0,0]=3 287 B13R2.3 c1ccc(cc1)c2ccccn2 L07861 [1,0,0,0,1,0|1,0,0]=3 288 B13R2.3 c1ccc(cc1)c2cccnc2 B23930 [1,0,0,0,1,0|1,0,0]=3 289 B13R2.3 c1ccnc(c1)c2ccccn2 12778 [1,0,0,0,1,0|2,0,0]=4 290 B13R2.3 c1ccnc(c1)c2ccccn2 12783 [1,0,0,0,1,0|2,0,0]=4 291 B13R2.3 c1ccnc(c1)c2ccccn2 30569 [1,0,0,0,1,0|2,0,0]=4 292 B13R2.3 c1ccnc(c1)c2ccccn2 A15782 [1,0,0,0,1,0|2,0,0]=4 293 B13R2.3 c1ccnc(c1)c2ccncc2 H27366 [1,0,0,0,1,0|2,0,0]=4 294 B13R2.3 c1cnccc1c2ccncc2 A10187 [1,0,0,0,1,0|2,0,0]=4 295 B13R2.64 c1ccc(cc1)Cn2cccc2 H55936 [1,0,0,0,1,0|1,0,1]=4 296 B13R2.64 c1ccc(cc1)Oc2ccsc2 B25288 [1,0,0,0,1,0|2,0,0]=4 297 B13R2.64 c1ccc(cc1)Sc2cccs2 A13708 [1,0,0,0,1,0|2,0,0]=4 298 B13R2.64 c1ccc(cc1)Sc2ccsc2 A12585 [1,0,0,0,1,0|2,0,0]=4 299 B13R2.674 c1cc(sc1)C(=O)c2cccs2 A12062 [0,0,0,0,2,0|2,0,0]=4 300 B15R2.2195 c1ccc(cc1)C#Cc2ccccc2 A13979 [1,0,0,0,0,1|0,0,1]=3 301 B15R2.2195 c1ccc(cc1)CCc2ccccc2 A14617 [1,0,0,0,0,1|0,0,1]=3 302 B15R2.2195 c1ccc(cc1)CNc2ccccn2 B22441 [1,0,0,0,0,1|1,0,1]=4 303 B15R2.2195 c1ccc(cc1)COc2ccccc2 B22539 [1,0,0,0,0,1|0,0,1]=3 304 B15R2.2195 c1ccc(cc1)CSc2ccccc2 A16171 [1,0,0,0,0,1|0,0,1]=3 305 B15R2.2195 c1ccc(cc1)NNc2ccccc2 A18037 [1,0,0,0,0,1|1,0,0]=3 306 B15R2.2195 c1ccc(cc1)SSc2ccccc2 A12586 [1,0,0,0,0,1|1,0,0]=3 307 B15R2.2195 c1ccc(cc1)[Se][Se]c2ccccc2 A13919 [1,0,0,0,0,1|1,0,0]=3 308 B15R2.2195 c1ccc(cc1)\C=C/c2ccccc2 A11924 [1,0,0,0,0,1|0,0,0]=2 309 B15R2.2195 c1ccc(cc1)\C=C\c2ccccc2 A10232 [1,0,0,0,0,1|0,0,0]=2 310 B15R2.2195 c1ccc(cc1)\C=C\c2ccncn2 H32162 [1,0,0,0,0,1|2,0,0]=4 311 B15R2.2195 c1ccc(cc1)\C=N\c2ccccc2 A14746 [1,0,0,0,0,1|0,0,0]=2 312 B15R2.2195 c1ccc(cc1)\N=N\c2ccccc2 A10425 [1,0,0,0,0,1|1,0,0]=3 313 B17R2.143 c1ccc(cc1)CC(=O)Cc2ccccc2 L02830 [0,0,0,0,0,2|0,0,0]=2 314 B17R2.143 c1ccc(cc1)CN(Cc2ccccc2)O B22447 [0,0,0,0,0,2|1,0,1]=4 315 B17R2.143 c1ccc(cc1)NC(=N)Nc2ccccc2 31395 [0,0,0,0,0,2|1,0,0]=3 316 B17R2.143 c1ccc(cc1)NC(=N)Nc2ccccc2 A15234 [0,0,0,0,0,2|1,0,0]=3 317 B17R2.143 c1ccc(cc1)NC(=O)Nc2ccccc2 A18720 [0,0,0,0,0,2|0,0,0]=2 318 B17R2.143 c1ccc(cc1)NC(=S)Nc2ccccc2 A19644 [0,0,0,0,0,2|0,1,0]=3 319 B17R2.143 c1ccc(cc1)OC(=O)Oc2ccccc2 A12362 [0,0,0,0,0,2|0,0,0]=2 320 B17R2.2342 C[C@@H](c1ccccc1)NCc2ccccc2 L19299 [0,0,0,0,0,2|1,0,1]=4 321 B17R2.2342 C[C@H](c1ccccc1)NCc2ccccc2 L19298 [0,0,0,0,0,2|1,0,1]=4 322 B17R2.2342 c1ccc(cc1)C#CC(c2ccccc2)O H53374 [0,0,0,0,0,2|0,0,2]=4 323 B17R2.2342 c1ccc(cc1)CCC(=O)c2ccccc2 L09173 [0,0,0,0,0,2|0,0,0]=2 324 B17R2.2342 c1ccc(cc1)CNC(=O)c2ccccc2 A12204 [0,0,0,0,0,2|0,0,0]=2 325 B17R2.2342 c1ccc(cc1)COC(=O)c2ccccc2 L03258 [0,0,0,0,0,2|0,0,0]=2 326 B17R2.2342 c1ccc(cc1)COC(=O)c2cccnc2 A18505 [0,0,0,0,0,2|1,0,0]=3 327 B17R2.2342 c1ccc(cc1)\C=C\C(=O)c2ccccc2 A14734 [0,0,0,0,0,2|0,0,0]=2