0 B8R1.4 CC1=CC(=O)NC=C1 T162655 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.4 CC1=CC=CC(=C1)N R647047 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.4 CC1=CC=CC(=O)N1 S766364 [0,0,0,0,0,0|2,0,1]=3 3 B8R1.4 CC1=CC=NC(=O)C1 S681601 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.4 CC1=CCCC(=O)C1 PH000095 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.4 CC1=C[N+](=CC=C1)C S619396 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.4 CC1=NC(=CC=N1)Cl PHB00236 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.4 CC1=NC(=CC=N1)N CDS014871 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.4 CC1=NC(=CN=C1)Cl ANV00028 [0,0,0,0,0,0|1,0,0]=1 9 B8R1.4 CC1=NC(=CN=C1)Cl CDS013631 [0,0,0,0,0,0|1,0,0]=1 10 B8R1.4 ClC1=CC(=CN=C1)I ADE000367 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.4 ClC1=CN=CC(=N1)Br ANV00065 [0,0,0,0,0,0|2,0,0]=2 12 B8R1.4 ClC1=CN=NC(=C1)Cl MNO000179 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.4 ClC1=NC(=CC=C1)I ADE000334 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.4 FC1=CC=CC(=N1)Br CDS002875 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.4 IC1=CN=CC(=N1)I SYX00011 [0,0,0,0,0,0|2,0,0]=2 16 B8R1.4 NC1=CC(=CN=C1)Cl ANV00078 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.4 NC1=CC(=CN=C1)I ADE000379 [0,0,0,0,0,0|3,0,0]=3 18 B8R1.4 NC1=CC=CC(=C1)Cl S642665 [0,0,0,0,0,0|4,0,0]=4 19 B8R1.4 NC1=CC=CC(=N1)O CDS008897 [0,0,0,0,0,0|3,0,0]=3 20 B8R1.4 NC1=NC(=CC=C1)I ADE000340 [0,0,0,0,0,0|3,0,0]=3 21 B8R1.4 NC1=NC(=CN=C1)Cl CDS013619 [0,0,0,0,0,0|2,0,0]=2 22 B8R1.4 O=C1C=C(C=NN1)Cl CDS021192 [0,0,0,0,0,0|4,0,0]=4 23 B8R1.4 O=C1C=C(C=NN1)I SYX00367 [0,0,0,0,0,0|4,0,0]=4 24 B8R1.4 OC1=CC=CC(=N1)O S458678 [0,0,0,0,0,0|3,0,0]=3 25 B8R1.4 OC1=CN=CC(=C1)F CDS006721 [0,0,0,0,0,0|3,0,0]=3 26 B8R1.4 OC1=CN=CC(=C1)I ADE000435 [0,0,0,0,0,0|3,0,0]=3 27 B8R1.4 OC1=NC(=CN=C1)Cl CBR01733 [0,0,0,0,0,0|2,0,0]=2 28 B7R1.3 BrC1=CC=CN=N1 CDS023312 [1,0,0,0,0,0|3,0,0]=4 29 B7R1.3 BrC1=CN=CC=N1 CDS005022 [1,0,0,0,0,0|1,0,0]=2 30 B7R1.3 BrC1=CN=NC=C1 CDS022809 [1,0,0,0,0,0|3,0,0]=4 31 B7R1.3 CC1=CC=NC=C1 T256412 [1,0,0,0,0,0|3,0,0]=4 32 B7R1.3 CC1=CC=NC=C1 T330418 [1,0,0,0,0,0|3,0,0]=4 33 B7R1.3 NC1=CC=CC=C1 S698326 [1,0,0,0,0,0|3,0,0]=4 34 B7R1.3 NC1=CC=CC=N1 S822329 [1,0,0,0,0,0|2,0,0]=3 35 B7R1.3 NC1=CC=NN=C1 CDS006078 [1,0,0,0,0,0|3,0,0]=4 36 B7R1.3 O=C1C=CC=CN1 T160121 [1,0,0,0,0,0|2,0,1]=4 37 B7R1.3 SC1=NC=CC=N1 S565652 [1,0,0,0,0,0|3,0,0]=4 38 B7R1.3 [O-]C1=CC=CC=C1 CDS001581 [1,0,0,0,0,0|3,0,0]=4 39 B7R1.3 [O-]C1=CN=CC=N1 S451452 [1,0,0,0,0,0|1,0,0]=2 40 B7R1.3 [S-]C1=CC=CC=C1 S578991 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.2 BrCC1=CC=CC(=N1)Br CDS022451 [0,1,0,0,0,0|2,0,0]=3 42 B9R1.2 C#CC1=CC=CC(=N1)C CBR02079 [0,1,0,0,0,0|1,0,1]=3 43 B9R1.2 C(=O)C1=CC=CC(=N1)F CDS021920 [0,1,0,0,0,0|2,0,1]=4 44 B9R1.2 CC1=CC(=CC=C1)[IH2]=O T330566 [0,1,0,0,0,0|3,0,0]=4 45 B9R1.2 CC1=CC(=CC=N1)CO L499730 [0,1,0,0,0,0|3,0,0]=4 46 B9R1.2 CC1=CC=CC(=C1)CS PH011231 [0,1,0,0,0,0|2,0,0]=3 47 B9R1.2 CC1=CC=CC(=N1)CCl CBR01903 [0,1,0,0,0,0|1,0,0]=2 48 B9R1.2 CC1=CC=NC(=C1)CN CDS018220 [0,1,0,0,0,0|3,0,0]=4 49 B9R1.2 CC1=CC=NC(=N1)CN CBR01839 [0,1,0,0,0,0|2,0,0]=3 50 B9R1.2 CC1=CN=CC(=C1)C=O CDS015706 [0,1,0,0,0,0|1,0,1]=3 51 B9R1.2 CC1=NC(=CC=C1)CCl CDS021719 [0,1,0,0,0,0|1,0,0]=2 52 B9R1.2 CC1=NC(=CC=N1)CO CBR01737 [0,1,0,0,0,0|2,0,0]=3 53 B9R1.2 CCC1=CC=CC(=C1)Br CDS013673 [0,1,0,0,0,0|3,0,0]=4 54 B9R1.2 CCC1=NC(=CC=C1)C S580031 [0,1,0,0,0,0|1,0,0]=2 55 B9R1.2 CNC1=CC(=CC=C1)N S604097 [0,1,0,0,0,0|3,0,0]=4 56 B9R1.2 COC1=CC=CC(=C1)N CDS000467 [0,1,0,0,0,0|3,0,0]=4 57 B9R1.2 COC1=CC=CC(=N1)N ADE000359 [0,1,0,0,0,0|2,0,0]=3 58 B9R1.2 COC1=CN=CC(=C1)Cl ADE000444 [0,1,0,0,0,0|2,0,0]=3 59 B9R1.2 COC1=CN=CC(=C1)I ADE000373 [0,1,0,0,0,0|2,0,0]=3 60 B9R1.2 COC1=CN=CC(=C1)O ADE000384 [0,1,0,0,0,0|2,0,0]=3 61 B9R1.2 COC1=CN=CC(=N1)Cl SYX00288 [0,1,0,0,0,0|1,0,0]=2 62 B9R1.2 COC1=NC(=CC=C1)I ADE000332 [0,1,0,0,0,0|2,0,0]=3 63 B9R1.2 COC1=NC=CC(=N1)N CDS004264 [0,1,0,0,0,0|3,0,0]=4 64 B9R1.2 CSC1=CC=CC(=C1)O KOB0118 [0,1,0,0,0,0|3,0,0]=4 65 B9R1.2 CSC1=NC(=CC=N1)I SYX00298 [0,1,0,0,0,0|3,0,0]=4 66 B9R1.2 CSC1=NC=CC(=N1)N ANV00048 [0,1,0,0,0,0|3,0,0]=4 67 B9R1.2 CSC1=NC=CC(=N1)O S217336 [0,1,0,0,0,0|3,0,0]=4 68 B9R1.2 CSC1=NC=CC(=N1)O S440043 [0,1,0,0,0,0|3,0,0]=4 69 B9R1.2 ClCC1=CC(=CN=C1)I ADE000376 [0,1,0,0,0,0|2,0,0]=3 70 B9R1.2 NCC1=CC(=CC=C1)O CDS016848 [0,1,0,0,0,0|3,0,0]=4 71 B9R1.2 NCC1=CC=CC(=N1)Br CDS015880 [0,1,0,0,0,0|2,0,0]=3 72 B9R1.2 NCC1=CN=CC(=C1)Br CDS005093 [0,1,0,0,0,0|2,0,0]=3 73 B9R1.2 NCC1=NC(=CC=C1)Br CDS009036 [0,1,0,0,0,0|2,0,0]=3 74 B9R1.2 NNC1=CC=CC(=N1)Cl SYX00272 [0,1,0,0,0,0|3,0,0]=4 75 B9R1.2 O=CC1=CC(=CN=C1)Cl ADE000371 [0,1,0,0,0,0|2,0,1]=4 76 B9R1.2 O=CC1=CC(=CN=C1)I ADE000370 [0,1,0,0,0,0|2,0,1]=4 77 B9R1.2 OCC1=CC(=CN=C1)Cl MNO000182 [0,1,0,0,0,0|2,0,0]=3 78 B9R1.2 OCC1=CC(=CN=C1)I ADE000375 [0,1,0,0,0,0|2,0,0]=3 79 B9R1.2 OCC1=CN=CC(=C1)F CDS021735 [0,1,0,0,0,0|2,0,0]=3 80 B9R1.2 OCC1=NC(=CC=C1)I ADE000341 [0,1,0,0,0,0|2,0,0]=3 81 B9R1.3 CC1=C(C(=CC=C1)Cl)S R262153 [0,1,0,0,0,0|3,0,0]=4 82 B9R1.3 CC1=C(C=NC=C1Br)N CDS022526 [0,1,0,0,0,0|3,0,0]=4 83 B9R1.3 CC1=C([N+](=CC=C1)C)C S619205 [0,1,0,0,0,0|3,0,0]=4 84 B9R1.3 CC1=CC=CC(=C1Br)Cl CDS003391 [0,1,0,0,0,0|3,0,0]=4 85 B9R1.3 CC1=CC=CC(=O)N1C T294608 [0,1,0,0,0,0|2,0,1]=4 86 B9R1.3 CC1=CC=CC(=[N+]1C)C R255319 [0,1,0,0,0,0|1,0,1]=3 87 B9R1.3 CC1=CC=CC(=[N+]1C)C S874248 [0,1,0,0,0,0|1,0,1]=3 88 B9R1.3 CC1=COC=C(C1=O)C T162310 [0,1,0,0,0,0|2,0,0]=3 89 B9R1.3 ClC1=C(C=NC=C1Br)Br ADE001379 [0,1,0,0,0,0|3,0,0]=4 90 B9R1.3 FC1=CN=CC(=C1Br)F SYX00175 [0,1,0,0,0,0|3,0,0]=4 91 B9R1.3 NC1=C(C(=CN=C1)Br)O ADE000768 [0,1,0,0,0,0|3,0,0]=4 92 B9R1.3 NC1=C(C=NC=C1I)I VBP00076 [0,1,0,0,0,0|3,0,0]=4 93 B9R1.34 CC1=CC(=CC(=C1)Br)F CDS003810 [0,1,0,0,0,0|3,0,0]=4 94 B9R1.34 CC1=CC(=CC(=N1)C)N CDS019979 [0,1,0,0,0,0|1,0,0]=2 95 B9R1.34 CC1=CC(=CC(=N1)C)O PH010817 [0,1,0,0,0,0|1,0,0]=2 96 B9R1.34 CC1=CC(=CC(=N1)O)O PH010608 [0,1,0,0,0,0|2,0,0]=3 97 B9R1.34 CC1=CC(=CC(=O)N1)O L479489 [0,1,0,0,0,0|2,0,1]=4 98 B9R1.34 CC1=CC(=CC(=O)N1)O OTV000023 [0,1,0,0,0,0|2,0,1]=4 99 B9R1.34 CC1=CC(=NC(=C1)C)C SYX00268 [0,1,0,0,0,0|1,0,0]=2 100 B9R1.34 CC1=CC(=NC(=N1)C)C PH009718 [0,1,0,0,0,0|2,0,0]=3 101 B9R1.34 CC1=CC(=NC(=N1)N)C S936685 [0,1,0,0,0,0|3,0,0]=4 102 B9R1.34 CC1=CC(=NC(=N1)O)C S368512 [0,1,0,0,0,0|3,0,0]=4 103 B9R1.34 CC1=CC(=NC(=N1)S)C R432288 [0,1,0,0,0,0|3,0,0]=4 104 B9R1.34 CC1=CC(=NC(=N1)S)C S439029 [0,1,0,0,0,0|3,0,0]=4 105 B9R1.34 CC1=CC(=NC(=O)N1)C PH000309 [0,1,0,0,0,0|3,0,0]=4 106 B9R1.34 CC1=CC(=S)C=C(O1)C S874272 [0,1,0,0,0,0|2,0,0]=3 107 B9R1.34 CC1=CC(=[O+]C(=C1)C)C S24105 [0,1,0,0,0,0|2,0,0]=3 108 B9R1.34 CC1=CC(=[O+]C(=C1)C)C S626848 [0,1,0,0,0,0|2,0,0]=3 109 B9R1.34 CC1=CC(=[O+]C(=C1)C)C S920134 [0,1,0,0,0,0|2,0,0]=3 110 B9R1.34 CC1=NC(=CC(=N1)O)Cl MNO000006 [0,1,0,0,0,0|3,0,0]=4 111 B9R1.34 CC1=NC(=CC(=N1)O)Cl S379018 [0,1,0,0,0,0|3,0,0]=4 112 B9R1.34 N1C(=S)N=C(C=C1C)C S25004 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.34 NC1=NC(=CC(=C1)Cl)Cl CDS005457 [0,1,0,0,0,0|3,0,0]=4 114 B9R1.69 BrC1=CN=C(C(=C1)Br)Br PH005118 [0,1,0,0,0,0|3,0,0]=4 115 B9R1.69 BrC1=CN=C(C(=C1)I)I ADE000168 [0,1,0,0,0,0|3,0,0]=4 116 B9R1.69 CC1=C(C=CC(=C1)Cl)I PH011333 [0,1,0,0,0,0|3,0,0]=4 117 B9R1.69 CC1=C(C=CC(=C1)F)S KOB0166 [0,1,0,0,0,0|3,0,0]=4 118 B9R1.69 CC1=C(C=CC(=C1)O)N S430048 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.69 CC1=C(C=CC(=C1)S)F KOB0143 [0,1,0,0,0,0|3,0,0]=4 120 B9R1.69 CC1=C(C=CC(=N1)N)I ADE000318 [0,1,0,0,0,0|2,0,0]=3 121 B9R1.69 CC1=C(C=CC(=N1)O)I BCH00049 [0,1,0,0,0,0|2,0,0]=3 122 B9R1.69 CC1=C(N=C(C=C1)Br)C CBR01845 [0,1,0,0,0,0|2,0,0]=3 123 B9R1.69 CC1=C(N=C(C=C1)Cl)I ADE001345 [0,1,0,0,0,0|3,0,0]=4 124 B9R1.69 CC1=C(N=CC(=C1)Br)F CDS003028 [0,1,0,0,0,0|2,0,0]=3 125 B9R1.69 CC1=CC(=C(C=C1)Br)Cl CDS003121 [0,1,0,0,0,0|3,0,0]=4 126 B9R1.69 CC1=CC(=C(C=C1)Cl)C T332828 [0,1,0,0,0,0|2,0,0]=3 127 B9R1.69 CC1=CC(=C(N=C1)F)I SYX00020 [0,1,0,0,0,0|2,0,0]=3 128 B9R1.69 CC1=CC(=CC=C1N)N S442275 [0,1,0,0,0,0|3,0,0]=4 129 B9R1.69 CC1=CC(=CN=C1Br)N CDS014715 [0,1,0,0,0,0|2,0,0]=3 130 B9R1.69 CC1=CC(=CN=C1F)N CDS017686 [0,1,0,0,0,0|2,0,0]=3 131 B9R1.69 CC1=CC(=CN=C1N)I ADE000317 [0,1,0,0,0,0|2,0,0]=3 132 B9R1.69 CC1=CC=C(C(=C1)Br)N S741949 [0,1,0,0,0,0|3,0,0]=4 133 B9R1.69 CC1=CC=C(C(=C1)Br)N S908630 [0,1,0,0,0,0|3,0,0]=4 134 B9R1.69 CC1=CC=C(C(=C1)F)O CDS010738 [0,1,0,0,0,0|3,0,0]=4 135 B9R1.69 CC1=CC=C(C(=C1)I)I S943894 [0,1,0,0,0,0|3,0,0]=4 136 B9R1.69 CC1=CC=C(C(=C1)N)N S446149 [0,1,0,0,0,0|3,0,0]=4 137 B9R1.69 CC1=CC=[N+](C(=C1)C)[O-] S849057 [0,1,0,0,0,0|3,0,0]=4 138 B9R1.69 CC1=CN=C(C(=C1)C)Br KOB0174 [0,1,0,0,0,0|1,0,0]=2 139 B9R1.69 CC1=CN=C(C(=C1)C)N CBR01685 [0,1,0,0,0,0|1,0,0]=2 140 B9R1.69 CC1=CN=C(C(=C1)Cl)Cl ADE000749 [0,1,0,0,0,0|2,0,0]=3 141 B9R1.69 CC1=CN=C(C(=C1)I)Cl ADE000728 [0,1,0,0,0,0|2,0,0]=3 142 B9R1.69 CC1=CN=C(C(=C1)I)N ADE000412 [0,1,0,0,0,0|2,0,0]=3 143 B9R1.69 CC1=CN=C(C(=C1)I)O ADE000727 [0,1,0,0,0,0|2,0,0]=3 144 B9R1.69 CC1=CN=C(C(=C1)O)Cl ADE000745 [0,1,0,0,0,0|2,0,0]=3 145 B9R1.69 CC1=NC(=C(C=C1)Br)F CDS021914 [0,1,0,0,0,0|2,0,0]=3 146 B9R1.69 CC1=NC(=C(C=C1)F)Br AGN00010 [0,1,0,0,0,0|2,0,0]=3 147 B9R1.69 CC1=NC(=C(C=C1)O)C S291315 [0,1,0,0,0,0|1,0,0]=2 148 B9R1.69 CC1=NC(=C(C=N1)C)Cl CBR00286 [0,1,0,0,0,0|3,0,0]=4 149 B9R1.69 CC1=NC(=CC=C1F)Br CDS002984 [0,1,0,0,0,0|2,0,0]=3 150 B9R1.69 CC1=NC(=NC=C1Br)Cl CDS021234 [0,1,0,0,0,0|3,0,0]=4 151 B9R1.69 CN1N=C(C=CC1=O)Br CBR00173 [0,1,0,0,0,0|3,0,0]=4 152 B9R1.69 ClC1=CC(=CN=C1Cl)Br CDS003025 [0,1,0,0,0,0|3,0,0]=4 153 B9R1.69 ClC1=CC=C(N=C1Cl)Br ADE000573 [0,1,0,0,0,0|3,0,0]=4 154 B9R1.69 ClC1=CN=C(C(=C1)Cl)Br CDS003979 [0,1,0,0,0,0|3,0,0]=4 155 B9R1.69 ClC1=CN=C(C(=C1)I)Cl ADE000151 [0,1,0,0,0,0|3,0,0]=4 156 B9R1.69 ClC1=CN=C(C(=C1)I)I ADE000190 [0,1,0,0,0,0|3,0,0]=4 157 B9R1.69 ClC1=NC(=CC=C1I)Br ADE000551 [0,1,0,0,0,0|3,0,0]=4 158 B9R1.69 ClC1=NC=C(C=C1I)Br ADE000303 [0,1,0,0,0,0|3,0,0]=4 159 B9R1.69 FC1=C(C=CC(=N1)Cl)I BCH00052 [0,1,0,0,0,0|3,0,0]=4 160 B9R1.69 FC1=CN=C(C(=C1)I)Cl ADE000396 [0,1,0,0,0,0|3,0,0]=4 161 B9R1.69 NC1=C(C=C(C=N1)I)I BCH00048 [0,1,0,0,0,0|3,0,0]=4 162 B9R1.69 NC1=CC(=CN=C1Br)Br ADE000414 [0,1,0,0,0,0|3,0,0]=4 163 B9R1.69 NC1=CC(=CN=C1Br)I ADE000540 [0,1,0,0,0,0|3,0,0]=4 164 B9R1.69 NC1=CC=C(C(=N1)Cl)Br ADE001344 [0,1,0,0,0,0|3,0,0]=4 165 B9R1.69 NC1=CC=C(C(=N1)Cl)I ADE001343 [0,1,0,0,0,0|3,0,0]=4 166 B9R1.69 NC1=CC=C(N=C1Cl)Br ADE000545 [0,1,0,0,0,0|3,0,0]=4 167 B9R1.69 NC1=CC=C(N=C1Cl)I ADE000546 [0,1,0,0,0,0|3,0,0]=4 168 B9R1.69 NC1=CN=C(C(=N1)Cl)Br ANV00060 [0,1,0,0,0,0|2,0,0]=3 169 B9R1.69 NC1=NC(=CC=C1Cl)Cl R428159 [0,1,0,0,0,0|3,0,0]=4 170 B9R1.69 NC1=NC=C(C=C1Br)Br R464333 [0,1,0,0,0,0|3,0,0]=4 171 B9R1.69 NC1=NC=C(C=C1I)Cl ADE000363 [0,1,0,0,0,0|3,0,0]=4 172 B9R1.69 NC1=NC=C(C=C1I)F ADE000390 [0,1,0,0,0,0|3,0,0]=4 173 B9R1.69 OC1=C(C=C(C=N1)Br)Br S376981 [0,1,0,0,0,0|3,0,0]=4 174 B9R1.69 OC1=C(N=C(C=C1)I)I PH009991 [0,1,0,0,0,0|3,0,0]=4 175 B9R1.69 OC1=CC(=CN=C1Br)Br ADE000498 [0,1,0,0,0,0|3,0,0]=4 176 B9R1.69 OC1=CC(=CN=C1Br)I ADE000476 [0,1,0,0,0,0|3,0,0]=4 177 B9R1.69 OC1=CC(=CN=C1Cl)Br ADE000395 [0,1,0,0,0,0|3,0,0]=4 178 B9R1.69 OC1=CC(=CN=C1Cl)Cl ADE000179 [0,1,0,0,0,0|3,0,0]=4 179 B9R1.69 OC1=CC(=CN=C1I)Br ADE000419 [0,1,0,0,0,0|3,0,0]=4 180 B9R1.69 OC1=CC(=CN=C1I)I ADE000562 [0,1,0,0,0,0|3,0,0]=4 181 B9R1.69 OC1=CC(=CN=C1O)Cl S453668 [0,1,0,0,0,0|3,0,0]=4 182 B9R1.69 OC1=CC=C(N=C1Br)Br R584770 [0,1,0,0,0,0|3,0,0]=4 183 B9R1.69 OC1=CC=C(N=C1Br)I ADE000492 [0,1,0,0,0,0|3,0,0]=4 184 B9R1.69 OC1=CC=C(N=C1Cl)Br ADE000592 [0,1,0,0,0,0|3,0,0]=4 185 B9R1.69 OC1=NC=C(C=C1I)Br ADE000304 [0,1,0,0,0,0|3,0,0]=4 186 B9R1.69 OC1=NC=C(C=C1I)Cl ADE000152 [0,1,0,0,0,0|3,0,0]=4 187 B9R1.69 OC1=NC=C(C=C1I)F ADE000397 [0,1,0,0,0,0|3,0,0]=4 188 B9R1.69 OC1=NN=C(C(=N1)O)Br R688568 [0,1,0,0,0,0|3,0,0]=4 189 B7R0.4 C/C=C/C=C\C(C)O T211419 [0,0,1,0,0,0|2,0,1]=4 190 B7R1.2 BrC1=CC=C(O1)Br CDS000239 [0,0,0,0,1,0|3,0,0]=4 191 B7R1.2 BrC1=NNC(=N1)Br CDS002983 [0,0,0,0,1,0|3,0,0]=4 192 B7R1.2 CC1=CSC(=N1)Br CDS007616 [0,0,0,0,1,0|2,0,0]=3 193 B7R1.2 CC1=CSC(=N1)N S366536 [0,0,0,0,1,0|2,0,0]=3 194 B7R1.2 CC1=NC(=NO1)N CBR00048 [0,0,0,0,1,0|2,0,0]=3 195 B7R1.2 CC1=NC=C(N1)I ANV00066 [0,0,0,0,1,0|1,0,1]=3 196 B7R1.2 CC1=NN=C(N1)N CDS003576 [0,0,0,0,1,0|2,0,1]=4 197 B7R1.2 CC1=NN=C(O1)N PH010741 [0,0,0,0,1,0|3,0,0]=4 198 B7R1.2 CC1=NN=C(S1)Cl CBR01742 [0,0,0,0,1,0|3,0,0]=4 199 B7R1.2 CC1=NN=C(S1)O CBR01599 [0,0,0,0,1,0|3,0,0]=4 200 B7R1.2 CC1=NNC(=C1)N CDS004036 [0,0,0,0,1,0|3,0,0]=4 201 B7R1.2 CC1=NNC(=N1)N CDS020216 [0,0,0,0,1,0|2,0,0]=3 202 B7R1.2 CC1=NOC(=N1)C PH016136 [0,0,0,0,1,0|1,0,0]=2 203 B7R1.2 CC1=NSC(=N1)Cl BBO000670 [0,0,0,0,1,0|2,0,0]=3 204 B7R1.2 CN1C=C(C=N1)N CDS019978 [0,0,0,0,1,0|3,0,0]=4 205 B7R1.2 CN1C=CC(=N1)Br SYX00074 [0,0,0,0,1,0|2,0,0]=3 206 B7R1.2 CN1C=CC(=N1)N CDS013782 [0,0,0,0,1,0|2,0,0]=3 207 B7R1.2 CN1C=NC(=N1)Br CBR01814 [0,0,0,0,1,0|2,0,0]=3 208 B7R1.2 CN1C=NC(=N1)Cl CBR02195 [0,0,0,0,1,0|2,0,0]=3 209 B7R1.2 CN1C=NC(=N1)N CBR00751 [0,0,0,0,1,0|2,0,0]=3 210 B7R1.2 ClC1=CSC(=N1)Cl KOB0068 [0,0,0,0,1,0|3,0,0]=4 211 B7R1.2 ClC1=NC(=CS1)Br SYX00210 [0,0,0,0,1,0|3,0,0]=4 212 B7R1.2 ClC1=NC=C(S1)Br SYX00075 [0,0,0,0,1,0|3,0,0]=4 213 B7R1.2 ClC1=NNC(=N1)Br CBR01726 [0,0,0,0,1,0|3,0,0]=4 214 B7R1.2 NC1=NC=C(S1)Cl CDS021716 [0,0,0,0,1,0|3,0,0]=4 215 B7R1.2 O=C1C=CC(=O)O1 S453374 [0,0,0,0,1,0|3,0,0]=4 216 B7R1.2 SC1=NSC(=N1)S S22773 [0,0,0,0,1,0|3,0,0]=4 217 B7R1.4 CC1=C(C=NN1)N CBR02396 [0,0,0,0,1,0|2,0,0]=3 218 B7R1.4 CC1=C(C=NO1)I CDS015521 [0,0,0,0,1,0|2,0,0]=3 219 B7R1.4 CC1=NNC=C1I BML00217 [0,0,0,0,1,0|2,0,1]=4 220 B7R1.4 IC1=CSC=C1I R254975 [0,0,0,0,1,0|3,0,0]=4 221 B7R1.4 NC1=C(NN=C1)N CBR02117 [0,0,0,0,1,0|3,0,0]=4 222 B9R1.48 CC1=CCCCC(=C1)C T180785 [0,0,0,0,0,1|2,0,1]=4 223 B6R0.2 CC(=N)CC(=O)C S366234 [1,0,1,0,0,0|2,0,0]=4 224 B6R1.1 C1=CC=CC=C1 S458074 [2,0,0,0,0,0|2,0,0]=4 225 B6R1.1 C1=CC=NC=C1 S503533 [2,0,0,0,0,0|1,0,0]=3 226 B8R0.28 CC(=O)/C=C/C=C(C)C CDS001465 [0,1,1,0,0,0|2,0,0]=4 227 B8R1.2 COC1=NC=CC=N1 CDS005079 [1,1,0,0,0,0|2,0,0]=4 228 B8R1.2 CSC1=NC=CC=N1 SYX00290 [1,1,0,0,0,0|2,0,0]=4 229 B8R1.2 CSC1=NC=CN=N1 SYX00362 [1,1,0,0,0,0|1,0,0]=3 230 B8R1.2 NCC1=CC=CC=C1 S696684 [1,1,0,0,0,0|2,0,0]=4 231 B8R1.2 NCC1=CN=CC=C1 S763780 [1,1,0,0,0,0|1,0,0]=3 232 B8R1.2 NCC1=CN=CC=N1 CDS009594 [1,1,0,0,0,0|0,0,0]=2 233 B8R1.2 O=CC1=CN=CC=N1 CDS008587 [1,1,0,0,0,0|0,0,1]=3 234 B8R1.2 OCC1=CC=CN=N1 CDS015970 [1,1,0,0,0,0|2,0,0]=4 235 B8R1.3 CC1=CN=C(N=C1)N CDS009715 [1,1,0,0,0,0|2,0,0]=4 236 B8R1.3 CC1=CN=C(N=C1)O CBR01548 [1,1,0,0,0,0|2,0,0]=4 237 B8R1.3 CC1=CNC(=O)C=C1 T162647 [1,1,0,0,0,0|1,0,1]=4 238 B8R1.3 CC1=NC=C(C=N1)Br CDS022509 [1,1,0,0,0,0|2,0,0]=4 239 B8R1.3 CC1=NN=C(C=C1)N CDS005355 [1,1,0,0,0,0|2,0,0]=4 240 B8R1.3 CC1=NN=C(N=N1)C T170577 [1,1,0,0,0,0|2,0,0]=4 241 B8R1.3 CC1=NNC(=O)C=C1 CDS000691 [1,1,0,0,0,0|2,0,0]=4 242 B8R1.3 ClC1=CC=C(N=C1)Br T138401 [1,1,0,0,0,0|2,0,0]=4 243 B8R1.3 ClC1=CN=C(C=C1)I SYX00319 [1,1,0,0,0,0|2,0,0]=4 244 B8R1.3 NC1=CC=C(N=C1)O CDS014034 [1,1,0,0,0,0|2,0,0]=4 245 B8R1.3 NC1=CN=C(C=N1)Cl CDS005437 [1,1,0,0,0,0|1,0,0]=3 246 B8R1.5 CC1=C(C=NC=C1)Cl T161152 [1,1,0,0,0,0|2,0,0]=4 247 B8R1.5 CC1=CC=NN=C1Cl PHB00234 [1,1,0,0,0,0|2,0,0]=4 248 B8R1.5 CC1=CN=CC=C1N CDS003217 [1,1,0,0,0,0|1,0,0]=3 249 B8R1.5 CC1=NC=CN=C1Cl CDS013629 [1,1,0,0,0,0|0,0,0]=2 250 B8R1.5 CC1=NC=CN=C1S PH014228 [1,1,0,0,0,0|0,0,0]=2 251 B8R1.5 C[N+]1=CC=CN=C1N S142433 [1,1,0,0,0,0|2,0,0]=4 252 B8R1.5 ClC1=CC=NC=C1Br CDS003116 [1,1,0,0,0,0|2,0,0]=4 253 B8R1.5 FC1=CC=CN=C1I ADE000285 [1,1,0,0,0,0|2,0,0]=4 254 B8R1.5 IC1=CC=CN=C1I ADE000256 [1,1,0,0,0,0|2,0,0]=4 255 B8R1.5 NC1=C(C=CN=C1)O CDS004728 [1,1,0,0,0,0|2,0,0]=4 256 B8R1.5 NC1=C(C=NC=C1)O ADE000632 [1,1,0,0,0,0|2,0,0]=4 257 B8R1.5 NC1=CC=CN=C1O CDS007860 [1,1,0,0,0,0|2,0,0]=4 258 B8R1.5 NC1=CC=NC=C1Cl CDS010711 [1,1,0,0,0,0|2,0,0]=4 259 B8R1.5 OC1=C(C=CN=C1)Cl ADE000654 [1,1,0,0,0,0|2,0,0]=4 260 B8R1.5 OC1=C(C=NC=C1)I ADE000434 [1,1,0,0,0,0|2,0,0]=4 261 B8R1.5 OC1=CN=CC=C1Br CDS021897 [1,1,0,0,0,0|2,0,0]=4 262 B8R1.5 OC1=NC=CC=C1F CDS019950 [1,1,0,0,0,0|2,0,0]=4 263 B8R1.1 CC1=CC(=CS1)CO TMT00554 [0,1,0,0,1,0|2,0,0]=4 264 B8R1.1 CC1=CC(=NO1)CO L482684 [0,1,0,0,1,0|2,0,0]=4 265 B8R1.1 CC1=CN=C(O1)CN CDS008557 [0,1,0,0,1,0|1,0,0]=3 266 B8R1.1 CC1=CN=C(S1)C=O CDS011813 [0,1,0,0,1,0|1,0,1]=4 267 B8R1.1 CC1=CN=C(S1)CN CDS011809 [0,1,0,0,1,0|1,0,0]=3 268 B8R1.1 CC1=NC(=CO1)CO CBR02085 [0,1,0,0,1,0|1,0,0]=3 269 B8R1.1 CC1=NC(=CS1)CN CBR00687 [0,1,0,0,1,0|1,0,0]=3 270 B8R1.1 CC1=NC(=NO1)CBr CBR02188 [0,1,0,0,1,0|1,0,0]=3 271 B8R1.1 CC1=NC(=NO1)CN CBR01043 [0,1,0,0,1,0|1,0,0]=3 272 B8R1.1 CC1=NN=C(O1)CCl CDS022277 [0,1,0,0,1,0|2,0,0]=4 273 B8R1.1 CC1=NN=C(O1)CO CBR01937 [0,1,0,0,1,0|2,0,0]=4 274 B8R1.1 CC1=NNC(=C1)CN CBR01017 [0,1,0,0,1,0|2,0,0]=4 275 B8R1.1 CC1=NNC(=N1)CCl CBR02414 [0,1,0,0,1,0|1,0,0]=3 276 B8R1.1 CC1=NNC(=N1)CN PH017721 [0,1,0,0,1,0|1,0,0]=3 277 B8R1.1 CC1=NNC(=N1)CO CBR02415 [0,1,0,0,1,0|1,0,0]=3 278 B8R1.1 CC1=NOC(=C1)CN CBR00041 [0,1,0,0,1,0|2,0,0]=4 279 B8R1.1 CC1=NOC(=N1)CCl CDS019758 [0,1,0,0,1,0|1,0,0]=3 280 B8R1.1 CC1=NOC(=N1)CN CDS010118 [0,1,0,0,1,0|1,0,0]=3 281 B8R1.1 CCC1=CSC(=N1)N CBR01525 [0,1,0,0,1,0|2,0,0]=4 282 B8R1.1 CCC1=NNC(=N1)N CBR00022 [0,1,0,0,1,0|2,0,0]=4 283 B8R1.1 CCC1=NOC(=N1)O CBR01637 [0,1,0,0,1,0|2,0,0]=4 284 B8R1.1 CCN1C=NC(=N1)N CBR02286 [0,1,0,0,1,0|2,0,0]=4 285 B8R1.1 CN1C=C(C=N1)CCl CBR01696 [0,1,0,0,1,0|2,0,0]=4 286 B8R1.1 CN1C=NC(=C1)CN CDS017640 [0,1,0,0,1,0|2,0,0]=4 287 B8R1.1 CN1C=NC(=C1)CO CDS017610 [0,1,0,0,1,0|2,0,0]=4 288 B8R1.1 CNC1=NC=C(S1)Br CBR01741 [0,1,0,0,1,0|2,0,0]=4 289 B8R1.1 COC1=CN=C(S1)N CDS021689 [0,1,0,0,1,0|2,0,0]=4 290 B8R1.1 COC1=NC(=CS1)Br SYX00375 [0,1,0,0,1,0|2,0,0]=4 291 B8R1.1 COC1=NC(=NN1)Br CBR01778 [0,1,0,0,1,0|2,0,0]=4 292 B8R1.1 COC1=NC=C(S1)Br SYX00323 [0,1,0,0,1,0|2,0,0]=4 293 B8R1.1 COC1=NSC(=N1)N PH017254 [0,1,0,0,1,0|2,0,0]=4 294 B8R1.1 CSC1=NC(=CS1)Br SYX00338 [0,1,0,0,1,0|2,0,0]=4 295 B8R1.1 ClCC1=CSC(=N1)Cl SYX00330 [0,1,0,0,1,0|2,0,0]=4 296 B8R1.1 NCC1=CC=C(S1)Br CDS007961 [0,1,0,0,1,0|2,0,0]=4 297 B8R1.1 NCC1=CC=C(S1)Cl CDS013426 [0,1,0,0,1,0|2,0,0]=4 298 B8R1.1 NCC1=NC(=NN1)N CBR01567 [0,1,0,0,1,0|2,0,0]=4 299 B8R1.1 OCC1=CC=C(S1)F PHB00247 [0,1,0,0,1,0|2,0,0]=4 300 B8R1.1 OCC1=CN=C(S1)Br SYX00336 [0,1,0,0,1,0|2,0,0]=4 301 B8R1.1 OCC1=CN=C(S1)Cl CDS013997 [0,1,0,0,1,0|2,0,0]=4 302 B8R1.1 OCC1=CSC(=N1)Br SYX00394 [0,1,0,0,1,0|2,0,0]=4 303 B8R1.18 CC1=C(SC(=N1)Br)Br SYX00151 [0,1,0,0,1,0|2,0,0]=4 304 B8R1.18 CC1=C(SC(=N1)N)Br SYX00305 [0,1,0,0,1,0|2,0,0]=4 305 B8R1.18 CC1=C(SC(=N1)N)C S139696 [0,1,0,0,1,0|2,0,0]=4 306 B8R1.18 CC1=C(SC(=N1)N)F CDS024376 [0,1,0,0,1,0|2,0,0]=4 307 B8R1.18 CC1=C(SC(=N1)S)C PH009931 [0,1,0,0,1,0|2,0,0]=4 308 B8R1.18 CC1=CC(=C(O1)C)S CDS013831 [0,1,0,0,1,0|1,0,0]=3 309 B8R1.18 CC1=CC(=O)C(O1)C CDS000654 [0,1,0,0,1,0|1,0,1]=4 310 B8R1.18 CC1=NC(=C(S1)Br)C CDS020883 [0,1,0,0,1,0|1,0,0]=3 311 B8R1.18 CC1=NC(=CN1C)Br CDS007637 [0,1,0,0,1,0|1,0,1]=4 312 B8R1.18 CC1=NC(=NN1C)Br CBR02160 [0,1,0,0,1,0|2,0,0]=4 313 B8R1.18 CC1=NC(=NN1C)Cl CBR02191 [0,1,0,0,1,0|2,0,0]=4 314 B8R1.18 CC1=NN(C(=C1)Br)C PHB00168 [0,1,0,0,1,0|1,0,0]=3 315 B8R1.18 CC1=NN(C(=C1)Cl)C R435937 [0,1,0,0,1,0|1,0,0]=3 316 B8R1.18 CC1=NN(C(=N1)Br)C CBR02189 [0,1,0,0,1,0|1,0,0]=3 317 B8R1.18 CC1=NN(C(=N1)Cl)C CBR02184 [0,1,0,0,1,0|1,0,0]=3 318 B8R1.18 CC1=NN(C=C1N)C CDS015732 [0,1,0,0,1,0|1,0,0]=3 319 B8R1.18 CN1C=C(C(=N1)N)N CBR01718 [0,1,0,0,1,0|2,0,0]=4 320 B8R1.18 CN1N=C(N=C1N)Cl CBR01692 [0,1,0,0,1,0|2,0,0]=4 321 B8R1.18 N1C(=NC(=C1I)I)C ANV00245 [0,1,0,0,1,0|1,0,1]=4 322 B8R1.50 CC1=CC=[N+](N1C)C R461717 [0,1,0,0,1,0|1,0,1]=4 323 B8R1.50 CC1=NNC(=C1C)C CBR00071 [0,1,0,0,1,0|2,0,0]=4 324 B8R1.50 CC1=NNC(=C1N)C L203173 [0,1,0,0,1,0|2,0,0]=4 325 B8R1.50 CC1=NNC(=C1O)C S720429 [0,1,0,0,1,0|2,0,0]=4 326 B8R1.11 CC1=C(C=CO1)CN CDS019848 [0,1,0,0,1,0|2,0,0]=4 327 B8R1.11 CC1=C(SC=C1)CN CDS015230 [0,1,0,0,1,0|2,0,0]=4 328 B8R1.11 CN1C=NN=C1CCl CBR02431 [0,1,0,0,1,0|2,0,0]=4 329 B8R1.11 CN1C=NN=C1CO CBR02167 [0,1,0,0,1,0|2,0,0]=4 330 B10R1.2 CC1=C(C(=CC=C1)CBr)C CDS022040 [0,2,0,0,0,0|2,0,0]=4 331 B10R1.2 COC1=C(C(=CC=C1)C)O L167932 [0,2,0,0,0,0|2,0,0]=4 332 B10R1.2 COC1=CN=CC(=C1C)N ADE000538 [0,2,0,0,0,0|2,0,0]=4 333 B10R1.2 COC1=CN=CC(=C1Cl)N ADE000480 [0,2,0,0,0,0|2,0,0]=4 334 B10R1.2 COC1=CN=CC(=C1I)N ADE000461 [0,2,0,0,0,0|2,0,0]=4 335 B10R1.8 C#CC1=CC(=CC(=C1)C)C CDS021024 [0,2,0,0,0,0|2,0,0]=4 336 B10R1.8 C(=O)C1=CC(=NC(=C1)C)Cl JRD0371 [0,2,0,0,0,0|2,0,0]=4 337 B10R1.8 CC1=CC(=CC(=C1)CN)C CDS003079 [0,2,0,0,0,0|2,0,0]=4 338 B10R1.8 CC1=CC(=CC(=N1)C)C#N CBR01586 [0,2,0,0,0,0|1,0,0]=3 339 B10R1.8 CC1=CC(=CC(=N1)Cl)CO JRD0950 [0,2,0,0,0,0|2,0,0]=4 340 B10R1.8 CC1=CC(=CC(=[O+]1)C)CCl S256331 [0,2,0,0,0,0|2,0,0]=4 341 B10R1.8 CC1=CC(=NC(=N1)CCl)C CDS019266 [0,2,0,0,0,0|2,0,0]=4 342 B10R1.8 CC1=CC(=NC(=N1)CN)O PH019082 [0,2,0,0,0,0|2,0,0]=4 343 B10R1.8 CCC1=NC(=NC(=C1)Cl)C CBR00125 [0,2,0,0,0,0|2,0,0]=4 344 B10R1.8 COC1=CC(=[O+]C(=C1)C)C R251313 [0,2,0,0,0,0|2,0,0]=4 345 B10R1.8 COC1=CC(=[O+]C(=C1)C)C S242004 [0,2,0,0,0,0|2,0,0]=4 346 B10R1.8 COC1=CC(=[O+]C(=C1)C)C S272183 [0,2,0,0,0,0|2,0,0]=4 347 B10R1.8 CSC1=CC(=[O+]C(=C1)C)C S874264 [0,2,0,0,0,0|2,0,0]=4 348 B10R1.8 CSC1=CC(=[S+]C(=C1)C)C S874256 [0,2,0,0,0,0|2,0,0]=4 349 B10R1.8 CSC1=NC(=CC(=N1)C)C PH000262 [0,2,0,0,0,0|2,0,0]=4 350 B10R1.8 CSC1=NC(=CC(=N1)C)Cl S344354 [0,2,0,0,0,0|2,0,0]=4 351 B10R1.8 CSC1=NC(=CC(=N1)S)C S363626 [0,2,0,0,0,0|2,0,0]=4 352 B10R1.8 CSC1=NC(=CC(=O)N1)C R683868 [0,2,0,0,0,0|2,0,0]=4 353 B10R1.8 [C-]#[N+]C1=CC(=CC(=C1)C)C PH015602 [0,2,0,0,0,0|2,0,0]=4 354 B10R1.10 CC1=CC(=CC=C1)CNN CBR00827 [0,2,0,0,0,0|2,0,0]=4 355 B10R1.10 CC1=CC=CC(=N1)CCN CBR01608 [0,2,0,0,0,0|1,0,0]=3 356 B10R1.10 CC1=CC=CC(=N1)CNN PH019298 [0,2,0,0,0,0|1,0,0]=3 357 B10R1.10 CC1=NC(=CC=C1)C=NO PH011578 [0,2,0,0,0,0|1,0,1]=4 358 B10R1.10 CC1=NC(=CC=C1)CCBr CBR02390 [0,2,0,0,0,0|1,0,0]=3 359 B10R1.10 CCOC1=NC(=CC=C1)Cl S446335 [0,2,0,0,0,0|2,0,0]=4 360 B10R1.10 CNCC1=CC=CC(=N1)N PH015469 [0,2,0,0,0,0|2,0,0]=4 361 B10R1.10 CNCC1=NC(=CC=C1)C S363774 [0,2,0,0,0,0|1,0,0]=3 362 B10R1.10 COCC1=CC=CC(=N1)C S352160 [0,2,0,0,0,0|1,0,0]=3 363 B10R1.10 N#CCC1=CC(=CN=C1)Br PHB00054 [0,2,0,0,0,0|2,0,0]=4 364 B10R1.30 CC1=CC(=C(C=C1)C)CN PH011334 [0,2,0,0,0,0|2,0,0]=4 365 B10R1.30 CC1=CC(=C(C=C1)C)CO PH017013 [0,2,0,0,0,0|2,0,0]=4 366 B10R1.30 CC1=CN=C(C(=C1)C#N)Cl ADE000761 [0,2,0,0,0,0|1,0,1]=4 367 B10R1.30 CC1=CN=C(C(=C1)C=O)Cl ADE000744 [0,2,0,0,0,0|1,0,1]=4 368 B10R1.30 CC1=CN=C(C(=C1)C=O)N ADE000734 [0,2,0,0,0,0|1,0,1]=4 369 B10R1.30 CC1=CN=C(C(=C1)CO)Cl ADE000776 [0,2,0,0,0,0|1,0,0]=3 370 B10R1.30 CCC1=C(C=CC(=N1)Cl)C CBR01609 [0,2,0,0,0,0|2,0,0]=4 371 B10R1.30 CCC1=CC(=CC=C1O)C JRD0413 [0,2,0,0,0,0|2,0,0]=4 372 B10R1.30 COC1=C(C=CC(=N1)C)Br CDS020912 [0,2,0,0,0,0|1,0,0]=3 373 B10R1.30 COC1=C(N=CC(=C1)O)I ADE000212 [0,2,0,0,0,0|2,0,0]=4 374 B10R1.30 COC1=CC(=CC=C1I)C CDS021197 [0,2,0,0,0,0|2,0,0]=4 375 B10R1.30 COC1=CC(=CN=C1Br)Br ADE000499 [0,2,0,0,0,0|2,0,0]=4 376 B10R1.30 COC1=CC(=CN=C1Br)I ADE000493 [0,2,0,0,0,0|2,0,0]=4 377 B10R1.30 COC1=CC(=CN=C1Cl)C ADE000750 [0,2,0,0,0,0|1,0,0]=3 378 B10R1.30 COC1=CC(=CN=C1Cl)Cl ADE000192 [0,2,0,0,0,0|2,0,0]=4 379 B10R1.30 COC1=CC(=CN=C1I)Br ADE000418 [0,2,0,0,0,0|2,0,0]=4 380 B10R1.30 COC1=CC(=CN=C1I)I ADE000564 [0,2,0,0,0,0|2,0,0]=4 381 B10R1.30 NC1=NC=C(C=C1CO)I ADE000278 [0,2,0,0,0,0|2,0,0]=4 382 B10R1.30 OCC1=CC(=CN=C1Cl)Br ADE000402 [0,2,0,0,0,0|2,0,0]=4 383 B10R1.30 OCC1=CC(=CN=C1Cl)F ADE000404 [0,2,0,0,0,0|2,0,0]=4 384 B10R1.113 C=C(C)C1=CC(=CC=C1)C PH015479 [0,2,0,0,0,0|2,0,0]=4 385 B10R1.113 CC(=O)C1=CC=CC(=N1)C CDS003228 [0,2,0,0,0,0|1,0,0]=3 386 B10R1.113 CC(C)C1=CC=CC(=N1)N CDS009744 [0,2,0,0,0,0|2,0,0]=4 387 B10R1.113 CC(O)C1=CC=CC(=N1)N PH018818 [0,2,0,0,0,0|2,0,0]=4 388 B10R1.113 CC1=CC(=CC=C1)C(C)N CDS020205 [0,2,0,0,0,0|2,0,0]=4 389 B10R1.113 CC1=CC(=CC=C1)[C@H](C)N CDS015842 [0,2,0,0,0,0|2,0,0]=4 390 B10R1.113 CC1=CC=CC(=C1)N(C)N PH012296 [0,2,0,0,0,0|2,0,0]=4 391 B10R1.113 CC1=CN=CC(=C1)B(O)O CDS020146 [0,2,0,0,0,0|2,0,0]=4 392 B10R1.113 CC1=NC(=CC=C1)C(=S)N S353418 [0,2,0,0,0,0|1,0,1]=4 393 B10R1.113 CN(C)C1=CC=CC(=N1)Br CDS004323 [0,2,0,0,0,0|2,0,0]=4 394 B10R1.113 CN(C)C1=CN=CC(=N1)I SYX00371 [0,2,0,0,0,0|1,0,0]=3 395 B10R1.113 NC(=O)C1=NC(=CN=C1)Cl CBR02075 [0,2,0,0,0,0|1,0,1]=4 396 B10R1.172 CCC1=CC(=CC=C1)OC S431338 [0,2,0,0,0,0|2,0,0]=4 397 B10R1.172 COC1=CC=CC(=N1)CN CDS023584 [0,2,0,0,0,0|1,0,0]=3 398 B10R1.172 COC1=CC=CC(=N1)CO ADE000358 [0,2,0,0,0,0|1,0,0]=3 399 B10R1.172 COC1=CN=CC(=C1)C#N ADE000443 [0,2,0,0,0,0|1,0,1]=4 400 B10R1.172 COC1=CN=CC(=C1)CO ADE000457 [0,2,0,0,0,0|1,0,0]=3 401 B10R1.172 COC1=NC(=CC=C1)CCl CDS023330 [0,2,0,0,0,0|1,0,0]=3 402 B10R1.172 CSC1=CC=CC(=C1)CN CBR01014 [0,2,0,0,0,0|2,0,0]=4 403 B10R1.172 N#CC1=NC(=CC=C1)CBr CDS023311 [0,2,0,0,0,0|1,0,1]=4 404 B10R1.172 N#CC1=NC(=CC=C1)CO CDS022444 [0,2,0,0,0,0|1,0,1]=4 405 B10R1.172 NCC1=CC=CC(=C1)CO CBR00928 [0,2,0,0,0,0|2,0,0]=4 406 B10R1.172 O=CC1=NC(=CC=C1)CO CDS023357 [0,2,0,0,0,0|1,0,1]=4 407 B10R1.176 CC1=C(C=C(C=C1)CN)C CDS002514 [0,2,0,0,0,0|2,0,0]=4 408 B10R1.176 CC1=C(C=CC(=C1)CBr)F CDS002874 [0,2,0,0,0,0|2,0,0]=4 409 B10R1.176 CC1=C(C=CC(=C1)CN)F CDS003159 [0,2,0,0,0,0|2,0,0]=4 410 B10R1.176 CC1=C(N=CC(=C1)C=O)Cl KOB0126 [0,2,0,0,0,0|1,0,1]=4 411 B10R1.176 CC1=CC(=CN=C1F)C#N CDS014714 [0,2,0,0,0,0|1,0,1]=4 412 B10R1.176 COC1=CC(=C(C=C1)O)C T276596 [0,2,0,0,0,0|2,0,0]=4 413 B10R1.176 COC1=CC=C(C(=C1)C)Cl S514284 [0,2,0,0,0,0|2,0,0]=4 414 B10R1.176 CSC1=CC=C(C(=C1)C)O S533777 [0,2,0,0,0,0|2,0,0]=4 415 B10R1.176 OCC1=CC=C(C(=N1)Br)O ADE000154 [0,2,0,0,0,0|2,0,0]=4 416 B10R1.22 CC1=CC(=C(C(=C1)Br)N)C S294144 [0,2,0,0,0,0|2,0,0]=4 417 B10R1.22 CC1=CC(=C(C(=C1)C)C)C CDS000400 [0,2,0,0,0,0|2,0,0]=4 418 B10R1.22 CC1=CC(=C(C(=C1)C)Cl)C PH010961 [0,2,0,0,0,0|2,0,0]=4 419 B10R1.22 CC1=CC(=C(C(=C1)C)I)C R258377 [0,2,0,0,0,0|2,0,0]=4 420 B10R1.22 CC1=CC(=C(C(=N1)C)Br)O R456772 [0,2,0,0,0,0|1,0,0]=3 421 B10R1.22 CC1=CC(=C(C(=N1)C)Cl)O R746894 [0,2,0,0,0,0|1,0,0]=3 422 B10R1.22 CC1=CC(=C(C(=N1)C)N)C CBR01290 [0,2,0,0,0,0|1,0,0]=3 423 B10R1.22 CC1=CC(=CC(=C1F)C)Br CDS003019 [0,2,0,0,0,0|2,0,0]=4 424 B10R1.22 CC1=CC(=CC(=C1N)C)Cl PH000327 [0,2,0,0,0,0|2,0,0]=4 425 B10R1.22 CC1=CC(=CC(=C1O)C)I S842702 [0,2,0,0,0,0|2,0,0]=4 426 B10R1.22 CC1=CC(=NC(=C1N)C)Br CDS023145 [0,2,0,0,0,0|2,0,0]=4 427 B10R1.22 CC1=CC(=O)C=C(N1C)C S11003 [0,2,0,0,0,0|1,0,1]=4 428 B10R1.22 CC1=CC(=O)N(C(=N1)C)C PH007968 [0,2,0,0,0,0|2,0,0]=4 429 B10R1.22 CC1=CC(=[N+](C(=C1)C)C)C R255408 [0,2,0,0,0,0|1,0,1]=4 430 B10R1.22 CC1=CC(=[O+]C(=C1C)C)C S920193 [0,2,0,0,0,0|2,0,0]=4 431 B10R1.22 CC1=NC(=C(C(=C1)O)C)O PH001768 [0,2,0,0,0,0|2,0,0]=4 432 B10R1.22 CC1=NC(=C(C(=N1)C)C)Cl CBR01736 [0,2,0,0,0,0|2,0,0]=4 433 B10R1.119 CC1=CC=C(C(=C1C)Br)C T332577 [0,2,0,0,0,0|2,0,0]=4 434 B10R1.119 CC1=CC=C(C(=C1N)C)N R750859 [0,2,0,0,0,0|2,0,0]=4 435 B10R1.245 CC1=CC=CC(=C1CBr)C CDS022041 [0,2,0,0,0,0|2,0,0]=4 436 B10R1.245 CC1=CC=CC(=C1CO)C PH002994 [0,2,0,0,0,0|2,0,0]=4 437 B10R1.25 C#CC1=NC=C(C=C1C)F CDS024545 [0,2,0,0,0,0|2,0,0]=4 438 B10R1.25 C#CC1=NC=C(C=C1F)C CDS024546 [0,2,0,0,0,0|2,0,0]=4 439 B10R1.25 CC1=CC(=C(C=C1)CBr)C CDS022039 [0,2,0,0,0,0|2,0,0]=4 440 B10R1.25 CC1=CC(=C(C=C1)CCl)C T330094 [0,2,0,0,0,0|2,0,0]=4 441 B10R1.25 CC1=CC=C(C(=C1)C)C#N S441414 [0,2,0,0,0,0|2,0,0]=4 442 B10R1.25 CC1=CN=C(C(=C1)F)C=O PH018817 [0,2,0,0,0,0|2,0,0]=4 443 B10R1.25 COC1=NC=C(C=C1I)C ADE000726 [0,2,0,0,0,0|2,0,0]=4 444 B10R1.25 COC1=NC=C(C=C1O)C ADE000770 [0,2,0,0,0,0|2,0,0]=4 445 B10R1.118 CC1=C(C=C(C(=N1)N)I)I BCH00051 [0,2,0,0,0,0|2,0,0]=4 446 B10R1.118 CC1=C(C=C(C(=N1)N)N)Br S927333 [0,2,0,0,0,0|2,0,0]=4 447 B10R1.118 CC1=C(CC(=C(C1)C)C)C R158577 [0,2,0,0,0,0|2,0,0]=4 448 B10R1.118 CC1=C(N=C(C(=C1)O)Cl)I ADE000751 [0,2,0,0,0,0|2,0,0]=4 449 B10R1.118 CC1=CC(=C(C=C1Br)Br)C S945935 [0,2,0,0,0,0|2,0,0]=4 450 B10R1.118 CC1=CC(=C(C=C1Cl)C)C S943592 [0,2,0,0,0,0|2,0,0]=4 451 B10R1.118 CC1=CC(=C(C=C1Cl)Cl)C S314269 [0,2,0,0,0,0|2,0,0]=4 452 B10R1.118 CC1=CC(=C(C=C1N)N)C R426733 [0,2,0,0,0,0|2,0,0]=4 453 B10R1.118 CC1=CC(=C(C=C1O)C)C PH017204 [0,2,0,0,0,0|2,0,0]=4 454 B8R1.7 CC(=O)C1=NC=CN1 CBR02095 [0,0,1,1,0,0|2,0,0]=4 455 B6R0.3 CC(=O)/C(=C/[O-])/C S808946 [0,0,1,0,1,0|2,0,0]=4 456 B6R1.2 BrC1=CC=CO1 CDS020809 [1,0,0,0,1,0|2,0,0]=4 457 B6R1.2 BrC1=NOC=C1 CDS005417 [1,0,0,0,1,0|2,0,0]=4 458 B6R1.2 CC1=CC=NN1 CDS002430 [1,0,0,0,1,0|1,0,0]=3 459 B6R1.2 CC1=COC=C1 CDS019631 [1,0,0,0,1,0|1,0,0]=3 460 B6R1.2 CC1=NC=CS1 CDS000301 [1,0,0,0,1,0|1,0,0]=3 461 B6R1.2 CC1=NNC=N1 CDS020176 [1,0,0,0,1,0|1,0,0]=3 462 B6R1.2 ClC1=CNN=C1 CDS019988 [1,0,0,0,1,0|2,0,0]=4 463 B6R1.2 IC1=NNC=C1 BML00254 [1,0,0,0,1,0|2,0,0]=4 464 B6R1.2 N1C=CN=C1N CDS020502 [1,0,0,0,1,0|1,0,1]=4 465 B6R1.2 NC1=CN=CS1 CDS008189 [1,0,0,0,1,0|2,0,0]=4 466 B6R1.2 NC1=CSC=C1 PHB00043 [1,0,0,0,1,0|2,0,0]=4 467 B6R1.2 NC1=NC=CS1 R646520 [1,0,0,0,1,0|2,0,0]=4 468 B6R1.2 OC1=NSC=C1 CDS008627 [1,0,0,0,1,0|2,0,0]=4 469 B10R1.71 CC1=CC=CC=C(CC1)C T190071 [0,0,0,0,0,2|2,0,0]=4