0 B15R2.2195 C(#CC1=CC=CC=C1)C2=CC=CC=C2 12331 [0,0,0,0,0,0|2,0,0]=2 1 B15R2.2195 C1=CC=C(C=NC2=CC=CC=C2)C=C1 20232 [0,0,0,0,0,0|2,0,0]=2 2 B15R2.2195 C1=CC=C(CCC2=CC=CC=C2)C=C1 11057 [0,0,0,0,0,0|2,0,0]=2 3 B15R2.2195 C1=CC=C(CCC2=CC=CC=C2)C=C1 15741 [0,0,0,0,0,0|2,0,0]=2 4 B15R2.2195 C1=CC=C(COC2=CC=CC=C2)C=C1 102201 [0,0,0,0,0,0|1,1,0]=2 5 B15R2.2195 C1=CC=C(CSC2=CC=CC=C2)C=C1 102523 [0,0,0,0,0,0|1,0,0]=1 6 B15R2.2195 C1=CC=C(\C=C/C2=CN=CC=C2)C=C1 100604 [0,0,0,0,0,0|3,0,0]=3 7 B15R2.2195 C1=CC=C(\C=C\C2=CC=CC=C2)C=C1 11094 [0,0,0,0,0,0|2,0,0]=2 8 B15R2.2195 C1=CC=C(\C=C\C2=CC=NC=C2)C=C1 102100 [0,0,0,0,0,0|3,0,0]=3 9 B16R2.71 NC1=C(NNC2=CC=CC=C2)C=CC=C1 11430 [0,1,0,0,0,0|2,0,0]=3 10 B16R2.71 NC1=C(\C=C\C2=CC=CC=C2)C=CC=C1 11099 [0,1,0,0,0,0|2,0,0]=3 11 B16R2.71 OC1=C(C=NC2=CC=CC=C2)C=CC=C1 13260 [0,1,0,0,0,0|2,0,0]=3 12 B16R2.71 OC1=C(CCC2=CC=CC=C2)C=CC=C1 10674 [0,1,0,0,0,0|2,0,0]=3 13 B16R2.71 OC1=C(\C=C\C2=CC=CC=C2)C=CC=C1 11111 [0,1,0,0,0,0|2,0,0]=3 14 B16R2.71 [NH3+]C1=C(\C=C\C2=CC=CC=C2)C=CC=C1 11100 [0,1,0,0,0,0|2,0,0]=3 15 B16R2.71 [NH3+]C1=CC=CC=C1CCC2=CC=CC=C2 11060 [0,1,0,0,0,0|2,0,0]=3 16 B16R2.71 [NH3+]C1=CC=CC=C1\C=C/C2=CC=CC=C2 11110 [0,1,0,0,0,0|2,0,0]=3 17 B16R2.88 C\C(=N/C1=CC=CC=C1)C2=CC=CC=C2 19938 [0,1,0,0,0,0|2,0,0]=3 18 B16R2.88 O=C(NC1=CC=CC=C1)C2=CC=CC=C2 17196 [0,1,0,0,0,0|2,0,0]=3 19 B16R2.88 O=C(OC1=CC=CC=C1)C2=CC=CC=C2 19704 [0,1,0,0,0,0|1,1,0]=3 20 B16R2.88 S=C(NC1=CC=CC=C1)C2=CC=CC=C2 18655 [0,1,0,0,0,0|2,0,0]=3 21 B16R2.132 FC1=CC=C(N=NC2=CC=CC=C2)C=C1 20702 [0,1,0,0,0,0|2,0,0]=3 22 B16R2.132 OC1=CC=C(OCC2=CC=CC=C2)C=C1 17233 [0,1,0,0,0,0|1,1,0]=3 23 B16R2.252 FC1=CC=CC(NCC2=CC=CC=C2)=N1 102865 [0,1,0,0,0,0|3,0,0]=4 24 B16R3.9 C1=CC2=C(C=C1)C3=C(C=CC=C3)CC2 11062 [0,0,0,1,0,0|2,0,0]=3 25 B16R3.1783 C1=CC=C(C2CC3=CC=CC=C32)C=C1 16572 [0,0,0,1,0,0|2,0,0]=3 26 B16R3.1783 C1=CC=C2C(=C1)CC2C3=NC=CC=C3 16605 [0,0,0,1,0,0|3,0,0]=4 27 B16R2.2256 C1=CC=C(C=NNC2=CC=CC=C2)C=C1 20109 [0,0,0,0,0,1|2,0,0]=3 28 B16R2.2256 C1=CC=C(CNCC2=CC=CC=C2)C=C1 12621 [0,0,0,0,0,1|2,0,0]=3 29 B16R2.2256 C1=CC=C(\C=C\CC2=CC=CC=C2)C=C1 20292 [0,0,0,0,0,1|2,0,0]=3 30 B15R2.29 NC1=CC=C(NC2=CC=CC=C2)C=C1 20777 [0,1,0,0,1,0|1,0,0]=3 31 B15R2.31 CC1=CC=CC(CC2=CC=CC=C2)=C1 102398 [0,1,0,0,1,0|1,0,0]=3 32 B15R2.2226 C=C(C1=CC=CC=C1)C2=CC=CC=C2 16615 [0,1,0,0,1,0|1,0,0]=3 33 B15R2.2226 N=C(C1=CC=CC=C1)C2=CC=CC=C2 100183 [0,1,0,0,1,0|1,0,0]=3 34 B15R2.2226 O=C(C1=CC=CC=C1)C2=CC=CC=N2 1326 [0,1,0,0,1,0|2,0,0]=4 35 B15R2.2226 O=C(C1=CC=CC=C1)C2=CC=NC=C2 18671 [0,1,0,0,1,0|2,0,0]=4 36 B15R2.2226 O=C(C1=CC=CC=C1)C2=CN=CC=C2 1325 [0,1,0,0,1,0|2,0,0]=4 37 B15R2.2226 O=[Se](C1=CC=CC=C1)C2=CC=CC=C2 13678 [0,1,0,0,1,0|0,1,0]=3 38 B15R2.2226 O=[Te](C1=CC=CC=C1)C2=CC=CC=C2 13682 [0,1,0,0,1,0|0,1,0]=3 39 B17R2.143 BrC(CC1=CC=CC=C1)CC2=CC=CC=C2 11736 [0,1,0,0,0,1|2,0,0]=4 40 B17R2.143 O=C(NC1=CC=CC=C1)NC2=CC=CC=C2 10889 [0,1,0,0,0,1|2,0,0]=4 41 B17R2.143 O=S(CC1=CC=CC=C1)CC2=CC=CC=C2 16354 [0,1,0,0,0,1|1,0,1]=4 42 B17R2.143 S=C(OC1=CC=CC=C1)OC2=CC=CC=C2 18422 [0,1,0,0,0,1|0,2,0]=4 43 B17R2.216 ClC1=CC=C(C=NNC2=CC=CC=C2)C=C1 20123 [0,1,0,0,0,1|2,0,0]=4 44 B17R2.2342 BrC(=NNC1=CC=CC=C1)C2=CC=CC=C2 20149 [0,1,0,0,0,1|2,0,0]=4 45 B17R2.2342 O=C(NCC1=CC=CC=C1)C2=CC=CC=C2 19697 [0,1,0,0,0,1|2,0,0]=4 46 B17R2.2342 O=C(NNC1=CC=CC=C1)C2=CC=CC=C2 20618 [0,1,0,0,0,1|2,0,0]=4 47 B17R2.2342 O=C(\C=C\C1=CC=CC=C1)C2=CC=CC=C2 103174 [0,1,0,0,0,1|2,0,0]=4 48 B17R2.2342 O=C(\C=C\C1=CC=CC=C1)C2=CC=CC=C2 10787 [0,1,0,0,0,1|2,0,0]=4 49 B17R2.2342 ON(\C=C\C1=CC=CC=C1)C2=CC=CC=C2 12730 [0,1,0,0,0,1|2,0,0]=4 50 B17R2.496 CC1=CC=C(N=CC2=C(O)C=CC=C2)C=C1 13261 [0,2,0,0,0,0|2,0,0]=4 51 B17R2.496 NC1=CC=C(\C=C/C2=CC=CC=C2N)C=C1 11980 [0,2,0,0,0,0|2,0,0]=4 52 B17R2.496 OC1=C(C=NC2=CC=C(Br)C=C2)C=CC=C1 13265 [0,2,0,0,0,0|2,0,0]=4 53 B17R2.496 OC1=C(C=NC2=CC=C(Cl)C=C2)C=CC=C1 13264 [0,2,0,0,0,0|2,0,0]=4 54 B17R2.496 OC1=C(C=NC2=CC=C(F)C=C2)C=CC=C1 13263 [0,2,0,0,0,0|2,0,0]=4 55 B17R2.3426 NC1=CC=CC=C1NC(=O)C2=CC=CC=C2 11304 [0,2,0,0,0,0|2,0,0]=4 56 B17R2.3426 NC1=CC=CC=C1SC(=O)C2=CC=CC=C2 19714 [0,2,0,0,0,0|1,0,0]=3 57 B17R2.5121 NC1=CC=CC=C1CCC2=CC=CC=C2N 11059 [0,2,0,0,0,0|2,0,0]=4 58 B17R2.5121 OC1=CC=CC=C1\N=N\C2=CC=CC=C2O 11645 [0,2,0,0,0,0|2,0,0]=4 59 B17R2.5121 [NH3+]C1=CC=CC=C1CCC2=CC=CC=C2[NH3+] 11056 [0,2,0,0,0,0|2,0,0]=4 60 B17R2.5121 [NH3+]C1=CC=CC=C1\C=C\C2=CC=CC=C2[NH3+] 11112 [0,2,0,0,0,0|2,0,0]=4 61 B17R2.5360 NC1=CC(N)=C(C=CC2=CC=CC=C2)C=C1 10671 [0,2,0,0,0,0|2,0,0]=4 62 B17R2.5360 NC1=CC=C(C=CC2=CC=CC=C2)C(N)=C1 10704 [0,2,0,0,0,0|2,0,0]=4 63 B17R2.5360 NC1=CC=C(C=CC2=CC=CC=C2)C(N)=C1 10705 [0,2,0,0,0,0|2,0,0]=4 64 B17R2.5360 NC1=CC=C(C=CC2=CC=CC=C2)C(N)=C1 11025 [0,2,0,0,0,0|2,0,0]=4 65 B17R2.5360 NC1=CC=C(\N=N\C2=CC=CC=C2)C(N)=C1 103184 [0,2,0,0,0,0|2,0,0]=4 66 B17R2.162 N#CC(NC1=CC=CC=C1)C2=CC=CC=C2 14930 [0,2,0,0,0,0|2,0,0]=4 67 B17R2.162 N#C\C(=C\C1=CC=CC=C1)C2=CC=CC=C2 17194 [0,2,0,0,0,0|2,0,0]=4 68 B17R2.209 CC1=CC=C(NC(=O)C2=CC=CC=C2)C=C1 19699 [0,2,0,0,0,0|2,0,0]=4 69 B17R2.209 CC1=CC=C(OC(=O)C2=CC=CC=C2)C=C1 19708 [0,2,0,0,0,0|1,1,0]=4 70 B17R2.5273 NC1=CC([N+]([O-])=NC2=CC=CC=C2)=CC=C1 11649 [0,2,0,0,0,0|2,0,0]=4 71 B17R2.5293 CC1=CC=CC(NC(=O)C2=CC=CC=C2)=C1 19701 [0,2,0,0,0,0|2,0,0]=4 72 B17R2.10205 Br[C@@H](C1=CC=CC=C1)[C@H](Br)C2=CC=CC=C2 17305 [0,2,0,0,0,0|2,0,0]=4 73 B17R2.10205 Br\C(C1=CC=CC=C1)=C(/Br)C2=CC=CC=C2 10898 [0,2,0,0,0,0|2,0,0]=4 74 B17R2.10205 CC(C1=CC=CC=C1)C(C)C2=CC=CC=C2 12261 [0,2,0,0,0,0|2,0,0]=4 75 B17R2.10205 C\C(C1=CC=CC=C1)=C(/C)C2=CC=CC=C2 20219 [0,2,0,0,0,0|2,0,0]=4 76 B17R2.10205 FC(C1=CC=CC=C1)C(F)C2=CC=CC=C2 101846 [0,2,0,0,0,0|2,0,0]=4 77 B17R2.10205 N[C@H](C1=CC=CC=C1)[C@@H](O)C2=CC=CC=C2 20302 [0,2,0,0,0,0|2,0,0]=4 78 B17R2.10205 N\C(C1=CC=CC=C1)=C(/N)C2=CC=CC=C2 11007 [0,2,0,0,0,0|2,0,0]=4 79 B17R2.10205 N\C(C1=CC=CC=C1)=C(/N)C2=CC=CC=C2 11105 [0,2,0,0,0,0|2,0,0]=4 80 B17R2.10205 O=C(C(=O)C1=CC=CC=C1)C2=CC=CC=C2 18180 [0,2,0,0,0,0|2,0,0]=4 81 B17R2.10205 O=C(C1=CC=CC=C1)C(O)C2=CC=CC=C2 18203 [0,2,0,0,0,0|2,0,0]=4 82 B17R2.10205 O[C@H](C1=CC=CC=C1)[C@H](O)C2=CC=CC=C2 18178 [0,2,0,0,0,0|2,0,0]=4 83 B17R2.10205 [NH3+]C(C1=CC=CC=C1)C(O)C2=CC=CC=C2 737 [0,2,0,0,0,0|2,0,0]=4 84 B17R2.10205 [NH3+]\C(C1=CC=CC=C1)=C(\[NH3+])C2=CC=CC=C2 11104 [0,2,0,0,0,0|2,0,0]=4 85 B17R2.20249 C[P@@+]([O-])(CC1=CC=CC=C1)C2=CC=CC=C2 18407 [0,2,0,0,0,0|2,0,0]=4 86 B17R2.20249 NP(=O)(OC1=CC=CC=C1)C2=CC=CC=C2 19760 [0,2,0,0,0,0|1,1,0]=4 87 B17R2.48 COC1=CC=C(N=CC2=CC=CC=C2)C=C1 18396 [0,2,0,0,0,0|2,0,0]=4 88 B17R2.48 COC1=CC=C(N=NC2=CC=CC=C2)C=C1 20701 [0,2,0,0,0,0|2,0,0]=4 89 B17R2.48 COC1=CC=C(\C=C\C2=CC=CC=C2)C=C1 20360 [0,2,0,0,0,0|2,0,0]=4 90 B17R2.207 CC1=CC=C(CCC2=CC=C(C)C=C2)C=C1 15740 [0,2,0,0,0,0|2,0,0]=4 91 B17R2.207 CC1=CC=C(N=NC2=CC=C(C)C=C2)C=C1 20493 [0,2,0,0,0,0|2,0,0]=4 92 B17R2.207 ClC1=CC=C(\C=C\C2=CC=C(Cl)C=C2)C=C1 1270 [0,2,0,0,0,0|2,0,0]=4 93 B17R2.207 NC1=CC=C(C#CC2=CC=C(N)C=C2)C=C1 12304 [0,2,0,0,0,0|2,0,0]=4 94 B17R2.207 NC1=CC=C(\C=C/C2=CC=C(N)C=C2)C=C1 12536 [0,2,0,0,0,0|2,0,0]=4 95 B17R2.207 NC1=CC=C(\C=C\C2=CC=C(N)C=C2)C=C1 1258 [0,2,0,0,0,0|2,0,0]=4 96 B17R2.207 OC1=CC=C(\C=C\C2=CC=C(O)C=C2)C=C1 1257 [0,2,0,0,0,0|2,0,0]=4 97 B17R2.215 NC1=CC=C(C=CC2=CC=CC(N)=C2)C=C1 11978 [0,2,0,0,0,0|2,0,0]=4 98 B17R2.5300 ClC1=CC=CC(N=NC2=CC=CC(Cl)=C2)=C1 20704 [0,2,0,0,0,0|2,0,0]=4 99 B17R2.5300 FC1=CC(N=NC2=CC=CC(F)=C2)=CC=C1 20700 [0,2,0,0,0,0|2,0,0]=4 100 B17R2.5300 NC1=CC(N=NC2=CC=CC(N)=C2)=CC=C1 11655 [0,2,0,0,0,0|2,0,0]=4 101 B17R2.5300 NC1=CC(N=NC2=CC=CC(N)=C2)=CC=C1 11658 [0,2,0,0,0,0|2,0,0]=4 102 B17R2.5300 NC1=CC=CC(NNC2=CC=CC(N)=C2)=C1 11646 [0,2,0,0,0,0|2,0,0]=4 103 B15R3.3 C1=CC2=C(C=C1)C3=C(C=CC=C3)C2 1133 [0,0,0,1,1,0|1,0,0]=3 104 B17R3.8 C1=CC=C(N2C=CC3=CC=CC=C32)C=C1 102368 [0,0,0,1,0,1|2,0,0]=4 105 B17R3.1939 C1=CC=C(CC2CC3=CC=CC=C32)C=C1 16575 [0,0,0,1,0,1|2,0,0]=4 106 B17R3.1832 C1=CC=C2CC(=C1)C=CC3=C2C=CC=C3 15153 [0,0,0,1,0,1|2,0,0]=4 107 B17R3.1830 C1=CC2=C(C=C1)CC3=C(C=CC=C3)C=C2 15046 [0,1,0,1,0,0|2,0,0]=4 108 B17R3.8708 C1=CC=C(C2=CC3=CC=CC=C3C2)C=C1 16661 [0,1,0,1,0,0|2,0,0]=4 109 B17R3.8708 C1=CC=C(C2CC3=CC=CC=C3N2)C=C1 10679 [0,1,0,1,0,0|2,0,0]=4 110 B17R3.8708 C1=CC=C(N2N=C3C=CC=CC3=N2)C=C1 10757 [0,1,0,1,0,0|2,0,0]=4 111 B17R3.3135 ClC1(C2=CC=CC=C2)CC3=CC=CC=C31 16593 [0,1,0,1,0,0|2,0,0]=4 112 B17R3.3135 OC1(C2=CC=CC=C2)CC3=CC=CC=C31 16160 [0,1,0,1,0,0|2,0,0]=4 113 B13R2.3 C1=CC=C(C2=NC=CC=C2)N=C1 1202 [0,0,0,0,2,0|2,0,0]=4 114 B13R2.3 C1=CC=C(C2=NC=CC=C2)N=C1 14378 [0,0,0,0,2,0|2,0,0]=4 115 B17R2.2382 C(C#CC1=CC=CC=C1)#CC2=CC=CC=C2 12063 [0,0,0,0,0,2|2,0,0]=4 116 B17R2.2382 C(C#CC1=CC=CC=C1)#CC2=CC=CC=C2 17069 [0,0,0,0,0,2|2,0,0]=4 117 B17R2.2382 C1=CC=C(NCCNC2=CC=CC=C2)C=C1 18676 [0,0,0,0,0,2|2,0,0]=4 118 B17R2.2382 C1=CC=C(\C=C\C=C\C2=CC=CC=C2)C=C1 102095 [0,0,0,0,0,2|2,0,0]=4 119 B17R2.2382 C1=CC=C(\N=N\NNC2=CC=CC=C2)C=C1 22213 [0,0,0,0,0,2|2,0,0]=4