0 B13R2.64 C1=CC=C(CC2=NCCN2)C=C1 336858 [0,0,0,0,0,0|0,0,2]=2 1 B13R2.64 C1=CC=C(CN2C=CC=C2)C=C1 209220 [0,0,0,0,0,0|3,0,0]=3 2 B14R2.19 CC1=NN=C(NC2=CC=CC=C2)S1 180595 [0,1,0,0,0,0|3,0,0]=4 3 B14R2.19 IC1=CN(CC2=CC=CC=C2)N=C1 067374 [0,1,0,0,0,0|2,0,0]=3 4 B14R2.19 NC1=NC(NC2=CC=CC=C2)=NN1 374489 [0,1,0,0,0,0|2,0,1]=4 5 B14R2.19 NC1=NN=C(CC2=CC=CC=C2)O1 009902 [0,1,0,0,0,0|2,0,0]=3 6 B14R2.19 NC1=NSC(NC2=CC=CC=C2)=N1 009732 [0,1,0,0,0,0|3,0,0]=4 7 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 034309 [0,1,0,0,0,0|2,0,1]=4 8 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 040327 [0,1,0,0,0,0|2,0,1]=4 9 B14R2.72 NC1=CC=C(CN2C=NC=N2)C=C1 036494 [0,1,0,0,0,0|3,0,0]=4 10 B14R2.114 O=C(C1=CC=CC=C1)C2=CC=CN2 185371 [0,1,0,0,0,0|1,0,1]=3 11 B12R2.2 C1=CC(C2=CN=CN2)=CN=C1 046409 [0,0,0,0,1,0|3,0,0]=4 12 B12R2.2 C1=CC=C(C2=CC=CS2)N=C1 017372 [0,0,0,0,1,0|3,0,0]=4 13 B12R2.2 C1=CC=C(C2=CN=CS2)C=C1 209295 [0,0,0,0,1,0|3,0,0]=4 14 B12R2.2 C1=CC=C(C2=CNC=N2)C=C1 208941 [0,0,0,0,1,0|2,0,0]=3 15 B12R2.2 C1=CC=C(C2=CNN=N2)C=C1 036926 [0,0,0,0,1,0|3,0,0]=4 16 B12R2.2 C1=CC=C(C2=CSN=N2)C=C1 316731 [0,0,0,0,1,0|3,0,0]=4 17 B12R2.2 C1=CC=C(C2=NC=CN2)C=C1 208942 [0,0,0,0,1,0|0,0,0]=1 18 B12R2.2 C1=CC=C(C2=NCCN2)C=C1 232941 [0,0,0,0,1,0|0,0,2]=3 19 B12R2.2 C1=CC=C(C2=NN=CO2)C=C1 216488 [0,0,0,0,1,0|2,0,0]=3 20 B12R2.2 C1=CC=C(C2=NN=NN2)N=C1 005511 [0,0,0,0,1,0|3,0,0]=4 21 B12R2.2 C1=CC=C(C2=NNC=C2)C=C1 017112 [0,0,0,0,1,0|2,0,0]=3 22 B12R2.2 C1=CC=C(C2=NOC=C2)C=C1 033649 [0,0,0,0,1,0|2,0,0]=3 23 B12R2.2 C1=CC=C(N2C=CC=C2)C=C1 458341 [0,0,0,0,1,0|3,0,0]=4 24 B12R2.2 C1=CC=C(N2CC=CC2)C=C1 231375 [0,0,0,0,1,0|3,0,0]=4 25 B12R2.2 C1=CN=CC(C2=NN=NN2)=C1 005512 [0,0,0,0,1,0|3,0,0]=4 26 B14R2.6 C1=CC=C(CC2=CC=CC=C2)C=C1 235562 [0,0,0,0,0,1|2,0,0]=3 27 B14R2.6 C1=CC=C(CC2=CC=NC=C2)C=C1 336040 [0,0,0,0,0,1|2,0,0]=3 28 B14R2.6 C1=CC=C(CC2=NC=CC=C2)C=C1 095088 [0,0,0,0,0,1|1,0,0]=2 29 B14R2.6 C1=CC=C(NC2=CC=CC=C2)C=C1 099691 [0,0,0,0,0,1|3,0,0]=4 30 B14R2.6 C1=CC=C(NC2=CC=CC=C2)C=C1 136000 [0,0,0,0,0,1|3,0,0]=4 31 B14R2.6 C1=CC=C(NC2=NC=CC=C2)C=C1 322026 [0,0,0,0,0,1|2,0,0]=3 32 B14R2.6 C1=CC=C(OC2=CC=CC=C2)C=C1 099314 [0,0,0,0,0,1|3,0,0]=4 33 B14R2.6 C1=CC=C(OC2=CC=CC=C2)C=C1 099338 [0,0,0,0,0,1|3,0,0]=4 34 B14R2.6 C1=CC=C(PC2=CC=CC=C2)C=C1 050092 [0,0,0,0,0,1|3,0,0]=4 35 B14R2.6 C1=CC=C(PC2=CC=CC=C2)C=C1 107014 [0,0,0,0,0,1|3,0,0]=4 36 B14R2.6 C1=CC=C(SC2=CC=CC=C2)C=C1 098931 [0,0,0,0,0,1|3,0,0]=4 37 B14R2.6 C1=CC=C(SC2=CC=CC=C2)C=C1 104588 [0,0,0,0,0,1|3,0,0]=4 38 B14R2.6 C1=CC=C([SiH2]C2=CC=CC=C2)C=C1 005285 [0,0,0,0,0,1|2,1,0]=4 39 B14R2.6 C1=CN=C(NC2=NC=CC=C2)C=C1 329505 [0,0,0,0,0,1|3,0,0]=4 40 B11R1.40 C=CC(=O)NC1=CC=CC=C1 320028 [1,0,1,0,0,0|2,0,0]=4 41 B11R1.40 C=CC(=O)OC1=CC=CC=C1 461814 [1,0,1,0,0,0|2,0,0]=4 42 B11R1.40 CNC(=O)CC1=CC=CC=C1 449006 [1,0,1,0,0,0|1,0,1]=4 43 B11R1.40 N\C(CC1=CC=CC=C1)=N/O 033305 [1,0,1,0,0,0|1,0,0]=3 44 B11R1.40 N\C(CC1=NC=CC=C1)=N/O 098169 [1,0,1,0,0,0|2,0,0]=4 45 B11R1.40 O=C(CC1=CC=CC=C1)NO 188889 [1,0,1,0,0,0|2,0,0]=4 46 B13R2.10 BrC1=CN(C2=CC=CC=C2)N=C1 038508 [0,1,0,0,1,0|2,0,0]=4 47 B13R2.10 BrC1=NC(C2=CC=CC=C2)=CS1 219001 [0,1,0,0,1,0|2,0,0]=4 48 B13R2.10 BrC1=NN=C(C2=CC=CC=C2)S1 033119 [0,1,0,0,1,0|2,0,0]=4 49 B13R2.10 CC1=CNC(C2=CC=CC=C2)=N1 463411 [0,1,0,0,1,0|0,0,0]=2 50 B13R2.10 CC1=NC(C2=CC=CC=C2)=CS1 218288 [0,1,0,0,1,0|2,0,0]=4 51 B13R2.10 ClC1=NC(C2=CC=CC=C2)=CS1 024114 [0,1,0,0,1,0|2,0,0]=4 52 B13R2.10 ClC1=NC(C2=CC=CC=C2)=NS1 047431 [0,1,0,0,1,0|1,0,1]=4 53 B13R2.10 NC1=CC(C2=CC=CC=C2)=NN1 019532 [0,1,0,0,1,0|2,0,0]=4 54 B13R2.10 NC1=NC(C2=CC=CC=C2)=CS1 001737 [0,1,0,0,1,0|2,0,0]=4 55 B13R2.10 NC1=NN=C(C2=CC=CC=C2)O1 042379 [0,1,0,0,1,0|2,0,0]=4 56 B13R2.10 NC1=NN=C(C2=CC=CC=C2)S1 012187 [0,1,0,0,1,0|2,0,0]=4 57 B13R2.10 NC1=NN=C(C2=CC=CC=C2)S1 094699 [0,1,0,0,1,0|2,0,0]=4 58 B13R2.10 NC1=NN=C(C2=CC=CC=C2)S1 101573 [0,1,0,0,1,0|2,0,0]=4 59 B13R2.10 O=C1CC(C2=CC=CC=C2)=NO1 358056 [0,1,0,0,1,0|2,0,0]=4 60 B13R2.10 OC1=CSC(C2=CC=CC=C2)=N1 103854 [0,1,0,0,1,0|1,0,0]=3 61 B13R2.10 OC1=NC(C2=CC=CC=C2)=CS1 024116 [0,1,0,0,1,0|2,0,0]=4 62 B13R2.10 OC1=NN=C(C2=CC=CC=C2)O1 062914 [0,1,0,0,1,0|2,0,0]=4 63 B13R2.10 S=C1NC=C(C2=CC=CC=C2)N1 370920 [0,1,0,0,1,0|2,0,0]=4 64 B13R2.10 SC1=NN=C(C2=CC=CC=C2)N1 012179 [0,1,0,0,1,0|1,0,0]=3 65 B13R2.10 SC1=NN=C(C2=CC=CC=C2)O1 003637 [0,1,0,0,1,0|2,0,0]=4 66 B13R2.12 ClC1=CC=C(C2=NNC=C2)C=C1 005878 [0,1,0,0,1,0|2,0,0]=4 67 B13R2.12 FC1=CC=C(C2=NNC=C2)C=C1 005909 [0,1,0,0,1,0|2,0,0]=4 68 B13R2.12 NC1=CC=C(C2=CC=CS2)C=C1 032151 [0,1,0,0,1,0|2,0,0]=4 69 B13R2.13 BrC1=CC(C2=NN=CN2)=CC=C1 211196 [0,1,0,0,1,0|1,0,0]=3 70 B13R2.13 NC1=CC(C2=NN=NN2)=CC=C1 033064 [0,1,0,0,1,0|2,0,0]=4 71 B13R2.15 CN1N=CC=C1C2=CC=CC=C2 336224 [0,1,0,0,1,0|2,0,0]=4 72 B13R2.15 NC1=CC=NN1C2=CC=CC=C2 235209 [0,1,0,0,1,0|2,0,0]=4 73 B13R2.18 BrC1=C(C2=NN=NN2)C=CC=C1 019493 [0,1,0,0,1,0|2,0,0]=4 74 B13R2.18 NC1=CC=CC=C1N2C=CC=N2 235123 [0,1,0,0,1,0|2,0,0]=4 75 B13R2.674 O=C(C1=CC=CS1)C2=NC=CN2 015376 [0,1,0,0,1,0|1,0,1]=4 76 B15R2.29 BrC1=CC=C(CC2=CC=CC=C2)C=C1 018275 [0,1,0,0,0,1|2,0,0]=4 77 B15R2.29 CC1=CC=C(CC2=CC=CC=C2)C=C1 018834 [0,1,0,0,0,1|2,0,0]=4 78 B15R2.29 FC1=CC=C(CC2=CC=CC=C2)C=C1 009194 [0,1,0,0,0,1|2,0,0]=4 79 B15R2.29 IC1=CC=C(CC2=CC=CC=C2)C=C1 018742 [0,1,0,0,0,1|2,0,0]=4 80 B15R2.29 NC1=CC=C(CC2=CC=CC=C2)C=C1 018207 [0,1,0,0,0,1|2,0,0]=4 81 B15R2.29 OC1=CC=C(CC2=CC=CC=C2)C=C1 012743 [0,1,0,0,0,1|2,0,0]=4 82 B15R2.31 CC1=NC=CC(CC2=CC=CC=C2)=C1 180495 [0,1,0,0,0,1|2,0,0]=4 83 B15R2.31 NC1=CC=CC(CC2=CC=CC=C2)=C1 018206 [0,1,0,0,0,1|2,0,0]=4 84 B15R2.38 BrC1=CC=CC=C1CC2=CC=CC=C2 018274 [0,1,0,0,0,1|2,0,0]=4 85 B15R2.38 CC1=CC=CC=C1CC2=CC=CC=C2 018833 [0,1,0,0,0,1|2,0,0]=4 86 B15R2.38 CC1=CC=CN=C1NC2=CC=CC=C2 180502 [0,1,0,0,0,1|2,0,0]=4 87 B15R2.38 FC1=C(CC2=CC=CC=C2)C=CC=C1 006229 [0,1,0,0,0,1|2,0,0]=4 88 B15R2.38 NC1=C(CC2=CC=CC=C2)C=CC=C1 024215 [0,1,0,0,0,1|2,0,0]=4 89 B15R2.38 NC1=[N+](CC2=CC=CC=C2)C=CC=N1 185218 [0,1,0,0,0,1|2,0,0]=4 90 B15R2.38 OC1=CC=CC=C1CC2=CC=CC=C2 219277 [0,1,0,0,0,1|2,0,0]=4 91 B15R2.2226 BrC(C1=CC=CC=C1)C2=CC=CC=C2 075976 [0,1,0,0,0,1|2,0,0]=4 92 B15R2.2226 ClC(C1=CC=CC=C1)C2=CC=CC=C2 075977 [0,1,0,0,0,1|2,0,0]=4 93 B15R2.2226 NC(C1=CC=CC=C1)C2=CC=CC=C2 021524 [0,1,0,0,0,1|2,0,0]=4 94 B15R2.2226 O=C(C1=CC=CC=C1)C2=NC=CC=C2 202520 [0,1,0,0,0,1|1,0,1]=4 95 B15R2.2226 OC(C1=CC=CC=C1)C2=CC=CC=C2 227720 [0,1,0,0,0,1|2,0,0]=4 96 B15R2.2226 OC(C1=CC=CC=C1)C2=CC=NC=C2 325091 [0,1,0,0,0,1|2,0,0]=4 97 B15R2.100 CC1=CC=C(NCC2=CC=CO2)C=C1 344256 [0,1,0,0,0,1|2,0,0]=4 98 B15R2.283 NC1=NN=C(SCC2=CC=CC=C2)S1 030975 [0,1,0,0,0,1|2,0,0]=4 99 B15R2.283 SC1=NN=C(SCC2=CC=CC=C2)S1 009890 [0,1,0,0,0,1|2,0,0]=4 100 B15R2.15 ClCC1=NC(CC2=CC=CC=C2)=NO1 067846 [0,2,0,0,0,0|1,0,1]=4 101 B15R2.325 CC1=NN(CC2=CC=CC=C2)C(N)=C1 030163 [0,2,0,0,0,0|2,0,0]=4 102 B15R2.131 O\N=C(/C1=CC=CC=C1)C2=CC=CN2 099673 [0,2,0,0,0,0|1,0,1]=4 103 B13R2.3 C1=CC=C(C2=CC=CN=C2)C=C1 047010 [0,0,1,1,0,0|1,0,1]=4 104 B13R2.3 C1=CC=C(C2=NC=CC=C2)C=C1 047027 [0,0,1,1,0,0|1,0,1]=4 105 B13R2.328 NC1=CC2=C(C=CC=C2)C(Br)=N1 038835 [0,0,1,1,0,0|1,0,1]=4 106 B15R3.3 C1=CC=C2C(=C1)CC3=C2C=CC=C3 094650 [0,0,0,1,0,1|2,0,0]=4 107 B15R3.1739 C1=CC2=C(C=C1)C3=C(CC2)NN=C3 190726 [0,0,0,1,0,1|2,0,0]=4 108 B15R2.2195 C1=CC=C(CCC2=CC=CC=C2)C=C1 226679 [0,0,0,0,0,2|2,0,0]=4 109 B15R2.2195 C1=CC=C(CNC2=CC=CC=C2)C=C1 358220 [0,0,0,0,0,2|2,0,0]=4 110 B15R2.2195 C1=CC=C(CNC2=CC=NC=C2)C=C1 032589 [0,0,0,0,0,2|2,0,0]=4 111 B15R2.2195 C1=CC=C(CNC2=NC=CC=C2)C=C1 226573 [0,0,0,0,0,2|1,0,0]=3 112 B15R2.2195 C1=CC=C(COC2=CC=CC=C2)C=C1 023290 [0,0,0,0,0,2|2,0,0]=4 113 B15R2.2195 C1=CC=C(CSC2=CC=CC=C2)C=C1 003349 [0,0,0,0,0,2|2,0,0]=4 114 B15R2.2195 C1=CC=C(\C=C\C2=NC=CC=C2)C=C1 186283 [0,0,0,0,0,2|1,0,1]=4 115 B15R2.2195 C1=CN=CC(CNC2=NC=CC=C2)=C1 024700 [0,0,0,0,0,2|2,0,0]=4