0 B16R2.2256 C1=CC(CCCC2=CC=NC=C2)=CC=N1 053308 [0,0,0,0,0,0|3,0,0]=3 1 B16R2.2256 C1=CC=C(CCCC2=CC=NC=C2)C=C1 431263 [0,0,0,0,0,0|2,0,0]=2 2 B16R2.2256 C1=CC=C(CCSC2=CC=CC=C2)C=C1 099231 [0,0,0,0,0,0|2,0,0]=2 3 B16R2.2256 C1=CC=C(CNCC2=CC=CC=C2)C=C1 235564 [0,0,0,0,0,0|2,0,0]=2 4 B16R2.2256 C1=CC=C(COCC2=CC=CC=C2)C=C1 240932 [0,0,0,0,0,0|2,0,0]=2 5 B16R2.2256 C1=CC=C(CSCC2=CC=CC=C2)C=C1 099775 [0,0,0,0,0,0|2,0,0]=2 6 B16R2.2256 C1=CC=C(C\N=C\C2=CC=CN=C2)C=C1 227458 [0,0,0,0,0,0|3,0,1]=4 7 B16R2.2256 C1=CC=C(SCSC2=CC=CC=C2)C=C1 003674 [0,0,0,0,0,0|3,0,0]=3 8 B16R2.2256 C1=CC=C(\C=N\NC2=CC=CC=C2)C=C1 180675 [0,0,0,0,0,0|3,0,1]=4 9 B16R2.2256 C1=CN=CC(CNCC2=CC=CN=C2)=C1 046782 [0,0,0,0,0,0|4,0,0]=4 10 B17R2.143 NN(CC1=CC=CC=C1)CC2=CC=CC=C2 125300 [0,1,0,0,0,0|2,0,0]=3 11 B17R2.143 O=C(CC1=CC=CC=C1)CC2=CC=CC=C2 461066 [0,1,0,0,0,0|1,0,1]=3 12 B17R2.143 O=C(CC1=CC=CC=C1)NC2=CC=CC=C2 336639 [0,1,0,0,0,0|2,0,1]=4 13 B17R2.143 OC(CC1=CC=CC=C1)CC2=CC=CC=C2 103117 [0,1,0,0,0,0|1,0,0]=2 14 B17R2.143 S=C(NC1=CC=CC=C1)NC2=NC=CC=C2 018970 [0,1,0,0,0,0|2,0,1]=4 15 B17R2.216 [O-][N+]1=CC=C(CCCC2=CC=CC=C2)C=C1 032645 [0,1,0,0,0,0|2,0,0]=3 16 B17R2.2342 CC(NCC1=CN=CC=C1)C2=CC=CC=C2 015145 [0,1,0,0,0,0|3,0,0]=4 17 B17R2.2342 C[C@@H](NCC1=CC=CC=C1)C2=CC=CC=C2 012696 [0,1,0,0,0,0|2,0,0]=3 18 B17R2.2342 C[C@H](NCC1=CC=CC=C1)C2=CC=CC=C2 012697 [0,1,0,0,0,0|2,0,0]=3 19 B17R2.2342 O=C(CCC1=CC=CC=C1)C2=CC=CC=C2 205565 [0,1,0,0,0,0|1,0,1]=3 20 B17R2.2342 O=C(NCC1=CC=CC=C1)C2=CC=CC=C2 011095 [0,1,0,0,0,0|2,0,1]=4 21 B17R2.2342 O=C(OCC1=CC=CC=C1)C2=CC=CC=C2 818701 [0,1,0,0,0,0|2,0,1]=4 22 B17R3.1927 C1=CC=C([C@H]2O[C@@H]2C3=CC=CC=C3)C=C1 103270 [0,0,0,1,0,0|2,0,0]=3 23 B15R2.2195 C(#CC1=CC=CC=C1)C2=CC=CC=C2 098872 [0,0,0,0,1,0|1,0,2]=4 24 B15R2.2195 C1=CC(CCC2=CC=NC=C2)=CC=N1 363991 [0,0,0,0,1,0|3,0,0]=4 25 B15R2.2195 C1=CC=C(CCC2=CC=CC=C2)C=C1 226679 [0,0,0,0,1,0|1,0,0]=2 26 B15R2.2195 C1=CC=C(CNC2=CC=CC=C2)C=C1 358220 [0,0,0,0,1,0|2,0,0]=3 27 B15R2.2195 C1=CC=C(CNC2=CC=NC=C2)C=C1 032589 [0,0,0,0,1,0|3,0,0]=4 28 B15R2.2195 C1=CC=C(CNC2=NC=CC=C2)C=C1 226573 [0,0,0,0,1,0|1,0,0]=2 29 B15R2.2195 C1=CC=C(COC2=CC=CC=C2)C=C1 023290 [0,0,0,0,1,0|2,0,0]=3 30 B15R2.2195 C1=CC=C(CSC2=CC=CC=C2)C=C1 003349 [0,0,0,0,1,0|2,0,0]=3 31 B15R2.2195 C1=CC=C(SSC2=CC=CC=C2)C=C1 002923 [0,0,0,0,1,0|3,0,0]=4 32 B15R2.2195 C1=CC=C([Se][Se]C2=CC=CC=C2)C=C1 235853 [0,0,0,0,1,0|3,0,0]=4 33 B15R2.2195 C1=CC=C(\C=C\C2=CC=CC=C2)C=C1 358024 [0,0,0,0,1,0|1,0,2]=4 34 B15R2.2195 C1=CC=C(\C=C\C2=NC=CC=C2)C=C1 186283 [0,0,0,0,1,0|0,0,2]=3 35 B15R2.2195 C1=CC=C(\C=N\C2=CC=CC=C2)C=C1 339976 [0,0,0,0,1,0|2,0,1]=4 36 B15R2.2195 C1=CC=C(\N=N\C2=CC=CC=C2)C=C1 358435 [0,0,0,0,1,0|3,0,0]=4 37 B15R2.2195 C1=CN=C(SSC2=NC=CC=C2)C=C1 136900 [0,0,0,0,1,0|3,0,0]=4 38 B15R2.2195 C1=CN=CC(CNC2=NC=CC=C2)=C1 024700 [0,0,0,0,1,0|2,0,0]=3 39 B17R2.2382 C1=CC(CCCCC2=CC=NC=C2)=CC=N1 032633 [0,0,0,0,0,1|3,0,0]=4 40 B17R2.2382 C1=CC=C(CCCSC2=CC=CC=C2)C=C1 099627 [0,0,0,0,0,1|1,0,0]=2 41 B17R2.2382 C1=CC=C(COCCC2=NC=CC=C2)C=C1 032601 [0,0,0,0,0,1|0,0,0]=1 42 B17R2.2382 C1=CC=C(CSSCC2=CC=CC=C2)C=C1 449293 [0,0,0,0,0,1|2,0,0]=3 43 B17R2.2382 C1=CC=C(SCCSC2=CC=CC=C2)C=C1 003673 [0,0,0,0,0,1|2,0,0]=3 44 B16R2.71 C[N+]1=C(OCC2=CC=CC=C2)C=CC=C1 106581 [0,1,0,0,1,0|1,0,1]=4 45 B16R2.71 NC1=CC=CC=C1OCC2=CC=CC=C2 241994 [0,1,0,0,1,0|2,0,0]=4 46 B16R2.88 NC(CC1=CC=CC=C1)C2=CC=CC=C2 358146 [0,1,0,0,1,0|1,0,0]=3 47 B16R2.88 O=C(CC1=CC=CC=C1)C2=CC=CC=C2 022896 [0,1,0,0,1,0|1,0,1]=4 48 B16R2.88 O=C(CC1=CC=NC=N1)C2=CC=CC=C2 023538 [0,1,0,0,1,0|1,0,1]=4 49 B16R2.88 OC(CC1=CC=CC=C1)C2=CC=CC=C2 104279 [0,1,0,0,1,0|1,0,0]=3 50 B16R2.132 BrC1=CC=C(OCC2=CC=CC=C2)C=C1 018220 [0,1,0,0,1,0|2,0,0]=4 51 B16R2.132 CC1=CC=C(SCC2=CC=CC=C2)C=C1 095079 [0,1,0,0,1,0|2,0,0]=4 52 B16R2.132 ClC1=CC=C(OCC2=CC=CC=C2)C=C1 018221 [0,1,0,0,1,0|2,0,0]=4 53 B16R2.132 FC1=CC=C(COC2=CC=CC=C2)C=C1 023268 [0,1,0,0,1,0|2,0,0]=4 54 B16R2.132 FC1=CC=C(CSC2=CC=CC=C2)C=C1 006208 [0,1,0,0,1,0|2,0,0]=4 55 B16R2.132 FC1=CC=C(OCC2=CC=CC=C2)C=C1 009022 [0,1,0,0,1,0|2,0,0]=4 56 B16R2.132 IC1=CC=C(OCC2=CC=CC=C2)C=C1 018223 [0,1,0,0,1,0|2,0,0]=4 57 B16R2.132 NC1=CC=C(OCC2=CC=CC=C2)C=C1 043641 [0,1,0,0,1,0|2,0,0]=4 58 B16R2.132 NC1=CC=C(OCC2=CC=CC=C2)C=C1 078009 [0,1,0,0,1,0|2,0,0]=4 59 B16R2.132 OC1=CC=C(OCC2=CC=CC=C2)C=C1 078490 [0,1,0,0,1,0|2,0,0]=4 60 B16R2.252 BrC1=CC=CC(OCC2=CC=CC=C2)=C1 023255 [0,1,0,0,1,0|2,0,0]=4 61 B16R2.252 CC1=CC(NCC2=CN=CC=C2)=NC=C1 032541 [0,1,0,0,1,0|2,0,0]=4 62 B16R2.252 CC1=CC=CC(SCC2=CC=CC=C2)=C1 095048 [0,1,0,0,1,0|2,0,0]=4 63 B16R2.252 FC1=CC=CC(COC2=CC=CC=C2)=C1 023291 [0,1,0,0,1,0|2,0,0]=4 64 B16R2.252 IC1=CC(OCC2=CC=CC=C2)=CC=C1 241913 [0,1,0,0,1,0|2,0,0]=4 65 B16R2.252 NC1=CC=CC(OCC2=CC=CC=C2)=C1 078930 [0,1,0,0,1,0|2,0,0]=4 66 B18R2.7189 O=C(CCCC1=CC=CC=C1)C2=CC=CC=C2 104442 [0,1,0,0,0,1|1,0,0]=3 67 B18R2.7189 O=C(NCCC1=CC=CC=C1)C2=CC=CC=C2 181137 [0,1,0,0,0,1|1,0,1]=4 68 B18R2.3606 OC[C@H](NCC1=CC=CC=C1)C2=CC=CC=C2 436313 [0,2,0,0,0,0|2,0,0]=4 69 B18R2.4001 O=C(CCC1=CC=CC=C1)C2=C(O)C=CC=C2 238976 [0,2,0,0,0,0|1,0,1]=4 70 B16R3.9 C1=CC=C2C(=C1)CCC3=C2C=CC=C3 239788 [0,0,0,1,1,0|1,0,0]=3 71 B18R3.2108 C1=CC=C(C2NCCC3=C2C=CC=C3)C=C1 029586 [0,0,0,1,0,1|1,0,0]=3 72 B18R3.2108 C1=CC=C([C@H]2NCCC3=C2C=CC=C3)C=C1 233927 [0,0,0,1,0,1|1,0,0]=3 73 B14R2.6 C1=CC=C(CC2=CC=CC=C2)C=C1 235562 [0,0,0,0,2,0|1,0,0]=3 74 B14R2.6 C1=CC=C(CC2=CC=NC=C2)C=C1 336040 [0,0,0,0,2,0|2,0,0]=4 75 B14R2.6 C1=CC=C(CC2=NC=CC=C2)C=C1 095088 [0,0,0,0,2,0|0,0,0]=2 76 B14R2.6 C1=CC=C(NC2=CC=CC=C2)C=C1 099691 [0,0,0,0,2,0|2,0,0]=4 77 B14R2.6 C1=CC=C(NC2=CC=CC=C2)C=C1 136000 [0,0,0,0,2,0|2,0,0]=4 78 B14R2.6 C1=CC=C(NC2=NC=CC=C2)C=C1 322026 [0,0,0,0,2,0|1,0,0]=3 79 B14R2.6 C1=CC=C(OC2=CC=CC=C2)C=C1 099314 [0,0,0,0,2,0|2,0,0]=4 80 B14R2.6 C1=CC=C(OC2=CC=CC=C2)C=C1 099338 [0,0,0,0,2,0|2,0,0]=4 81 B14R2.6 C1=CC=C(PC2=CC=CC=C2)C=C1 050092 [0,0,0,0,2,0|2,0,0]=4 82 B14R2.6 C1=CC=C(PC2=CC=CC=C2)C=C1 107014 [0,0,0,0,2,0|2,0,0]=4 83 B14R2.6 C1=CC=C(SC2=CC=CC=C2)C=C1 098931 [0,0,0,0,2,0|2,0,0]=4 84 B14R2.6 C1=CC=C(SC2=CC=CC=C2)C=C1 104588 [0,0,0,0,2,0|2,0,0]=4 85 B14R2.6 C1=CC=C([SiH2]C2=CC=CC=C2)C=C1 005285 [0,0,0,0,2,0|1,1,0]=4 86 B14R2.6 C1=CN=C(NC2=NC=CC=C2)C=C1 329505 [0,0,0,0,2,0|2,0,0]=4 87 B18R2.2525 C1=CC=C(SCCCSC2=CC=CC=C2)C=C1 106998 [0,0,0,0,0,2|1,0,0]=3