0 B10R1.15 C/C(=C/Br)/C1=CC=CC=C1 S881791 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.15 C/C(=N\O)/C1=CC=NC=C1 S101478 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.15 C/C(=N\O)/C1=CN=CC=C1 PH005162 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.15 C=C(OC)C1=CC=CC=C1 PH000315 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.15 CC(CBr)C1=CC=CC=C1 S461210 [0,0,0,0,0,0|1,0,1]=2 5 B10R1.15 CC(NN)C1=CC=CC=C1 PH009827 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.15 CCB(N)C1=CC=CC=C1 S320773 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.15 CCC(N)C1=CC=CC=N1 CBR00661 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.15 CCC(N)C1=CC=CN=C1 CBR00143 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.15 CCC(N)C1=CC=NC=C1 CBR01655 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.15 CCN(C)C1=CC=CC=C1 R750956 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.15 CCN(N)C1=CC=CC=C1 PH010945 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.15 CN(N=O)C1=CC=CC=C1 PH000088 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.15 CNC(C)C1=CC=CC=C1 CDS010605 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.15 CNC(C)C1=CC=CC=C1 T172782 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.15 CNC(C)C1=CC=NC=N1 CBR00694 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.15 CSC(=O)C1=CC=CC=C1 S918059 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.15 ClCC(Cl)C1=CC=CC=C1 PH010970 [0,0,0,0,0,0|2,0,1]=3 18 B10R1.15 N#CN(N)C1=CC=CC=C1 PH008710 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.15 N/C(=N\O)/C1=CC=CC=C1 CDS001188 [0,0,0,0,0,0|2,0,2]=4 20 B10R1.15 NC(CO)C1=CC=CC=C1 CDS003505 [0,0,0,0,0,0|1,0,2]=3 21 B10R1.15 NC(CO)C1=CC=CN=C1 CDS010268 [0,0,0,0,0,0|2,0,2]=4 22 B10R1.15 NCC(Cl)C1=CC=CC=C1 PH012604 [0,0,0,0,0,0|2,0,1]=3 23 B10R1.15 NNC(=O)C1=CC=CC=C1 S463663 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.15 O=C(N[O-])C1=CC=CC=C1 S453080 [0,0,0,0,0,0|2,0,2]=4 25 B10R1.15 OC(CBr)C1=CC=CC=N1 PH013752 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.15 [Li]OS(=O)C1=CC=CC=C1 S301140 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.6 CC(Br)C1=NC=CC=C1 CDS022641 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.6 CC(C)C1=CC=NC=C1 R751863 [1,0,0,0,0,0|1,0,1]=3 29 B9R1.6 CC(N)C1=CC=CN=C1 BOG00119 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.6 CC(N)C1=CC=CN=C1 CDS005298 [1,0,0,0,0,0|2,0,0]=3 31 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [1,0,0,0,0,0|0,1,0]=2 32 B9R1.6 CN(N)C1=CC=CC=C1 S416320 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.6 C[Te+](C)C1=CC=CC=C1 S14878 [1,0,0,0,0,0|1,0,1]=3 34 B9R1.6 Cl[C+](Cl)C1=CC=CC=C1 S449571 [1,0,0,0,0,0|2,0,1]=4 35 B9R1.6 O=C(Cl)C1=CC=CN=C1 TMT00021 [1,0,0,0,0,0|2,0,1]=4 36 B9R1.6 O=C(Cl)C1=NC=CC=C1 CDS000333 [1,0,0,0,0,0|2,0,1]=4 37 B9R1.6 O=C(O)C1=CC=CC=N1 S172049 [1,0,0,0,0,0|2,0,1]=4 38 B9R1.6 O=C(O)C1=CC=CC=N1 S488666 [1,0,0,0,0,0|2,0,1]=4 39 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [1,0,0,0,0,0|1,0,1]=3 40 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [1,0,0,0,0,0|2,0,0]=3 41 B9R1.8 BrCCC1=CC=CN=C1 CDS024209 [1,0,0,0,0,0|2,0,1]=4 42 B9R1.8 C(=N/O)\C1=CC=CC=C1 S893145 [1,0,0,0,0,0|1,0,2]=4 43 B9R1.8 C(=O)NC1=CN=CC=C1 S243426 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.8 C/C=C/C1=CC=CC=N1 PH007383 [1,0,0,0,0,0|2,0,1]=4 45 B9R1.8 CCCC1=CC=NC=C1 S573086 [1,0,0,0,0,0|2,0,1]=4 46 B9R1.8 CNNC1=CC=CC=C1 PH012261 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.8 COCC1=CC=CC=N1 S363146 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.8 Cl[Hg]CC1=CC=CC=C1 S810894 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.8 I[Hg]CC1=CC=CC=C1 S838705 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.8 NCCC1=CC=CN=C1 CDS003709 [1,0,0,0,0,0|2,0,1]=4 51 B9R1.8 NCCC1=CC=CN=C1 CDS022961 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.8 NOCC1=CC=CC=C1 CDS001502 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.8 O=C=NC1=CC=CN=C1 CDS004476 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.8 OCCC1=CC=CN=C1 CDS008359 [1,0,0,0,0,0|1,0,2]=4 55 B9R1.8 OCC[N+]1=CC=CC=C1 T161055 [1,0,0,0,0,0|1,0,2]=4 56 B9R1.8 SCCC1=CC=CC=N1 CDS004787 [1,0,0,0,0,0|1,1,1]=4 57 B9R1.8 SCCC1=CC=NC=C1 CDS000260 [1,0,0,0,0,0|1,1,1]=4 58 B9R1.8 SCCC1=CC=NC=C1 CDS004770 [1,0,0,0,0,0|1,1,1]=4 59 B9R1.8 [C-]#[N+]CC1=CC=CN=C1 PH015401 [1,0,0,0,0,0|3,0,0]=4 60 B9R1.8 [C-]#[N+]CC1=CC=NC=C1 PH015037 [1,0,0,0,0,0|3,0,0]=4 61 B11R1.7 CC(C)(CCl)[N+]1=CC=CC=C1 R788120 [0,1,0,0,0,0|2,0,1]=4 62 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S333697 [0,1,0,0,0,0|1,0,1]=3 63 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S486078 [0,1,0,0,0,0|1,0,1]=3 64 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S494992 [0,1,0,0,0,0|1,0,1]=3 65 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S497304 [0,1,0,0,0,0|1,0,1]=3 66 B11R1.7 COC(C)(C)C1=CC=CC=C1 S713104 [0,1,0,0,0,0|2,0,0]=3 67 B11R1.7 C[Si](C)(CO)C1=CC=CC=C1 S832316 [0,1,0,0,0,0|0,1,2]=4 68 B11R1.12 C(=O)C(C=O)C1=CC=NC=C1 L307416 [0,1,0,0,0,0|1,0,1]=3 69 B11R1.12 CC/C(=N/O)/C1=CC=CC=C1 S799947 [0,1,0,0,0,0|1,0,2]=4 70 B11R1.12 CC/C(=N\O)/C1=CC=CC=C1 PH011544 [0,1,0,0,0,0|1,0,2]=4 71 B11R1.12 CCC(CC)C1=CC=CC=C1 S109592 [0,1,0,0,0,0|1,0,1]=3 72 B11R1.12 CCC(CC)C1=CC=CC=C1 S37940 [0,1,0,0,0,0|1,0,1]=3 73 B11R1.12 CCC(CC)C1=CC=CC=N1 S546259 [0,1,0,0,0,0|2,0,1]=4 74 B11R1.12 CCC(NC)C1=CC=CC=C1 CDS000205 [0,1,0,0,0,0|1,0,1]=3 75 B11R1.12 CCC(NC)C1=CC=CN=C1 CDS021076 [0,1,0,0,0,0|2,0,1]=4 76 B11R1.12 N#C/C(=C\O)/C1=CC=CC=C1 PH010982 [0,1,0,0,0,0|0,0,3]=4 77 B11R1.12 N#CC(C=O)C1=CC=CC=C1 PH011096 [0,1,0,0,0,0|0,0,1]=2 78 B11R1.16 C(=O)NC(C)C1=CC=CC=C1 S520349 [0,1,0,0,0,0|0,0,0]=1 79 B11R1.16 C=CCC(=O)C1=CC=CC=C1 T216402 [0,1,0,0,0,0|2,0,1]=4 80 B11R1.16 C=CCN(C)C1=CC=CC=C1 S438677 [0,1,0,0,0,0|2,0,0]=3 81 B11R1.16 CC(/C=N/O)C1=CC=CC=C1 S619094 [0,1,0,0,0,0|0,0,1]=2 82 B11R1.16 CC(N=C=S)C1=CC=CC=C1 S645478 [0,1,0,0,0,0|0,1,1]=3 83 B11R1.16 CC(N=[N+]=[N-])C1=CC=CC=C1 PH018363 [0,1,0,0,0,0|2,0,0]=3 84 B11R1.16 CCCC(C)C1=CC=CC=C1 S570958 [0,1,0,0,0,0|1,0,1]=3 85 B11R1.16 CCCC(N)C1=CC=CC=C1 CBR00785 [0,1,0,0,0,0|2,0,1]=4 86 B11R1.16 CNCC(C)C1=CC=CC=C1 CDS011312 [0,1,0,0,0,0|1,0,1]=3 87 B11R1.16 CNCC(O)C1=CC=CC=C1 R158259 [0,1,0,0,0,0|2,0,1]=4 88 B11R1.16 CNCC(O)C1=CC=CC=C1 S321761 [0,1,0,0,0,0|2,0,1]=4 89 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 CDS006581 [0,1,0,0,0,0|1,0,2]=4 90 B11R1.16 N#C/C=C(\Cl)/C1=CC=CC=C1 JRD0649 [0,1,0,0,0,0|2,0,1]=4 91 B11R1.16 N#C/C=C(\N)/C1=CC=CC=C1 PH006853 [0,1,0,0,0,0|2,0,1]=4 92 B11R1.16 ONCC(O)C1=CC=CC=C1 S662003 [0,1,0,0,0,0|1,0,2]=4 93 B11R1.22 BrCC(Br)C1=CC=C(C=C1)Br S568422 [0,1,0,0,0,0|2,0,1]=4 94 B11R1.22 C/C(=N/O)/C1=CC=C(C=C1)Br PH008404 [0,1,0,0,0,0|1,0,2]=4 95 B11R1.22 C/C(=N\O)/C1=CC=C(C=C1)N PH010926 [0,1,0,0,0,0|1,0,2]=4 96 B11R1.22 C/C(=N\O)/C1=CC=C(C=C1)O PH004057 [0,1,0,0,0,0|1,0,2]=4 97 B11R1.22 C=CC(O)C1=CC=C(C=C1)Cl PH007653 [0,1,0,0,0,0|2,0,0]=3 98 B11R1.22 CC1=CC=C(C=C1)/C(=N/N)/C S323020 [0,1,0,0,0,0|2,0,1]=4 99 B11R1.22 CC1=CC=C(C=C1)/C(=N\O)/C S682802 [0,1,0,0,0,0|1,0,2]=4 100 B11R1.22 CCC(Cl)C1=CC=C(C=C1)C S722235 [0,1,0,0,0,0|2,0,1]=4 101 B11R1.22 CCC(N)C1=CC=C(C=C1)C CBR02307 [0,1,0,0,0,0|2,0,1]=4 102 B11R1.22 CCC(N)C1=CC=C(C=C1)F CDS005688 [0,1,0,0,0,0|2,0,1]=4 103 B11R1.22 CCC(N)C1=CC=C(C=C1)O CBR00896 [0,1,0,0,0,0|2,0,1]=4 104 B11R1.22 CCC(O)C1=CC=C(C=C1)Br S434892 [0,1,0,0,0,0|2,0,1]=4 105 B11R1.22 CCC(O)C1=CC=C(C=C1)Cl S434884 [0,1,0,0,0,0|2,0,1]=4 106 B11R1.22 CCC(O)C1=CC=C(C=C1)F S434876 [0,1,0,0,0,0|2,0,1]=4 107 B11R1.22 CC[C@@H](O)C1=CC=C(C=C1)Cl PH018690 [0,1,0,0,0,0|2,0,1]=4 108 B11R1.22 CC[C@H](O)C1=CC=C(C=C1)Cl PH018691 [0,1,0,0,0,0|2,0,1]=4 109 B11R1.22 CN(C=O)C1=CC=C(C=C1)N PH009942 [0,1,0,0,0,0|1,0,0]=2 110 B11R1.22 CNC(C)C1=CC=C(C=C1)Cl CBR02474 [0,1,0,0,0,0|2,0,0]=3 111 B11R1.22 N#CC(O)C1=CC=C(C=C1)O PH015025 [0,1,0,0,0,0|2,0,1]=4 112 B11R1.22 NC(CF)C1=CC=C(C=C1)F CVT00026 [0,1,0,0,0,0|2,0,1]=4 113 B11R1.22 NC(CO)C1=CC=C(C=C1)Br CDS023854 [0,1,0,0,0,0|1,0,2]=4 114 B11R1.23 CC[C@@H](O)C1=CC(=CC=C1)F PH018824 [0,1,0,0,0,0|2,0,1]=4 115 B11R1.23 CC[C@H](O)C1=CC(=CC=C1)F PH018897 [0,1,0,0,0,0|2,0,1]=4 116 B11R1.23 CNN(C)C1=CC=CC(=C1)Br PH012310 [0,1,0,0,0,0|3,0,0]=4 117 B11R1.23 NC(CF)C1=CC(=CC=C1)Br CVT00033 [0,1,0,0,0,0|2,0,1]=4 118 B11R1.23 OC1=CC=CC(=C1)C(CN)O TMT00167 [0,1,0,0,0,0|2,0,1]=4 119 B11R1.36 C(C)(N)[C@@H](C)C1=CC=CC=C1 S327697 [0,1,0,0,0,0|1,0,1]=3 120 B11R1.36 C(C)(N)[C@H](C)C1=CC=CC=C1 S316911 [0,1,0,0,0,0|1,0,1]=3 121 B11R1.36 C/C(=C(\C)/C1=CC=CC=C1)/Br S877883 [0,1,0,0,0,0|1,0,1]=3 122 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 S881112 [0,1,0,0,0,0|0,0,0]=1 123 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 S392146 [0,1,0,0,0,0|1,0,0]=2 124 B11R1.36 CC(=O)N(C)C1=CC=CN=C1 T309508 [0,1,0,0,0,0|2,0,0]=3 125 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 PH007480 [0,1,0,0,0,0|0,0,0]=1 126 B11R1.36 CC(C)C(C)C1=CC=CC=C1 S316091 [0,1,0,0,0,0|1,0,1]=3 127 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 CDS015841 [0,1,0,0,0,0|2,0,1]=4 128 B11R1.36 CC(C1=CC=CC=C1)N(C)C CDS001551 [0,1,0,0,0,0|2,0,0]=3 129 B11R1.36 CC(O)C(C)C1=CC=CC=C1 R157589 [0,1,0,0,0,0|0,0,2]=3 130 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313424 [0,1,0,0,0,0|0,0,2]=3 131 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313432 [0,1,0,0,0,0|0,0,2]=3 132 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S485527 [0,1,0,0,0,0|0,0,2]=3 133 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494054 [0,1,0,0,0,0|0,0,2]=3 134 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494062 [0,1,0,0,0,0|0,0,2]=3 135 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 CBR01201 [0,1,0,0,0,0|2,0,0]=3 136 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CDS003589 [0,1,0,0,0,0|1,0,0]=2 137 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 S684473 [0,1,0,0,0,0|1,0,0]=2 138 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 TMT00523 [0,1,0,0,0,0|1,0,0]=2 139 B11R1.36 O=P(O)C(O)C1=CC=CC=C1 S576263 [0,1,0,0,0,0|2,0,0]=3 140 B11R1.36 P(=O)([O-])C(O)C1=CC=CC=C1 S359920 [0,1,0,0,0,0|2,0,0]=3 141 B11R1.36 [C@@H](C)(O)[C@@H](C)C1=CC=CC=C1 L157201 [0,1,0,0,0,0|0,0,2]=3 142 B11R1.222 C/C(=N\O)/C1=C(C=CC=C1)N R739189 [0,1,0,0,0,0|1,0,2]=4 143 B11R1.222 CC[C@H](O)C1=CC=CC=C1F PH018898 [0,1,0,0,0,0|2,0,1]=4 144 B11R1.222 NCC(O)C1=CC=CC=C1Br CDS009497 [0,1,0,0,0,0|2,0,1]=4 145 B11R2.1 BrC1=COC2=CC=CC=C12 CDS016824 [0,0,0,1,0,0|1,0,2]=4 146 B11R2.1 CC1=CN=C2N1C=CC=C2 SYX00420 [0,0,0,1,0,0|2,0,1]=4 147 B11R2.1 CC1=NNC2=CC=CC=C12 CDS006326 [0,0,0,1,0,0|2,0,1]=4 148 B11R2.1 CC1=NOC2=C1C=CC=C2 T328049 [0,0,0,1,0,0|1,0,2]=4 149 B11R2.1 CN1C=NC2=CC=CN=C12 ADE001232 [0,0,0,1,0,0|3,0,0]=4 150 B11R2.1 C[N+]1=CSC2=CC=CC=C12 R785695 [0,0,0,1,0,0|1,1,0]=3 151 B11R2.1 NC1COC2=CC=CC=C12 CBR01411 [0,0,0,1,0,0|1,0,2]=4 152 B11R2.1 SC1=CNC2=C1C=CC=C2 CDS014121 [0,0,0,1,0,0|2,0,1]=4 153 B11R2.1 [O-][N+]1=CNC2=C1C=CC=C2 R429619 [0,0,0,1,0,0|3,0,0]=4 154 B11R2.40 NC1(CC1)C2=CC=CC=C2 OTV000611 [0,0,0,1,0,0|2,0,1]=4 155 B11R2.239 C1=CC(=CC=N1)C2CNC2 PH019033 [0,0,0,1,0,0|2,0,1]=4 156 B11R2.239 C1=CC=C(C=C1)C2CCN2 CDS019224 [0,0,0,1,0,0|2,0,0]=3 157 B11R2.239 C1=CN=C(C=C1)C2CNC2 PH018991 [0,0,0,1,0,0|2,0,1]=4 158 B11R2.239 C1=CN=CC(=C1)C2CNC2 PH019032 [0,0,0,1,0,0|2,0,1]=4 159 B9R1.11 CC(NO)C1=CC=CO1 CVT00078 [0,0,0,0,1,0|2,0,1]=4 160 B9R1.11 CNC(C)C1=CC=CS1 CBR01263 [0,0,0,0,1,0|3,0,0]=4 161 B11R1.40 C=CC(=C)SC1=CC=CC=C1 S767840 [0,0,0,0,0,1|1,0,2]=4 162 B11R1.40 CC(CC1=CC=CC=C1)NN PH000293 [0,0,0,0,0,1|2,0,0]=3 163 B11R1.40 CCC(C)NC1=CC=CC=C1 S372293 [0,0,0,0,0,1|1,0,1]=3 164 B11R1.40 CCN(C)CC1=CC=CC=C1 PH012025 [0,0,0,0,0,1|2,0,1]=4 165 B11R1.40 CN(C#N)CC1=CC=CC=C1 PH008772 [0,0,0,0,0,1|2,0,1]=4 166 B11R1.40 CNC(C)CC1=NC=CC=C1 CBR00462 [0,0,0,0,0,1|3,0,0]=4 167 B11R1.40 CO/C(=C/C1=CC=CC=C1)/C S722170 [0,0,0,0,0,1|2,0,1]=4 168 B11R1.40 OC(CCl)CC1=CC=CC=C1 S825743 [0,0,0,0,0,1|2,0,1]=4 169 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [2,0,0,0,0,0|2,0,0]=4 170 B8R1.2 C(=O)C1=CN=CN=C1 CDS004733 [2,0,0,0,0,0|2,0,0]=4 171 B8R1.2 C=CC1=CC=CC=C1 S460680 [2,0,0,0,0,0|0,0,1]=3 172 B8R1.2 C=CC1=CC=CC=C1 S461830 [2,0,0,0,0,0|0,0,1]=3 173 B8R1.2 C=CC1=CC=CC=C1 S462152 [2,0,0,0,0,0|0,0,1]=3 174 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [2,0,0,0,0,0|2,0,0]=4 175 B8R1.2 NCC1=CC=CC=C1 S696684 [2,0,0,0,0,0|1,0,0]=3 176 B8R1.2 NCC1=CN=CC=C1 S763780 [2,0,0,0,0,0|2,0,0]=4 177 B8R1.2 O=CC1=CN=CC=N1 CDS008587 [2,0,0,0,0,0|2,0,0]=4 178 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [2,0,0,0,0,0|1,0,0]=3 179 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [2,0,0,0,0,0|2,0,0]=4 180 B10R1.13 C=C(C)C1=CC=C(C=C1)F CDS001211 [1,1,0,0,0,0|0,0,1]=3 181 B10R1.13 CC(=O)C1=CC=C(C=N1)C CBR02273 [1,1,0,0,0,0|1,0,1]=4 182 B10R1.13 CC(=O)C1=CC=C(N=C1)Cl CDS007858 [1,1,0,0,0,0|1,0,1]=4 183 B10R1.13 CC(=O)C1=CC=[N+](C=C1)C R228613 [1,1,0,0,0,0|1,0,1]=4 184 B10R1.13 CC(C)C1=CC=C(C=C1)F S362034 [1,1,0,0,0,0|0,0,1]=3 185 B10R1.13 CC(C)C1=CC=C(C=C1)S R262188 [1,1,0,0,0,0|0,0,1]=3 186 B10R1.13 CC1=CC=C(C=C1)S(=O)O T212016 [1,1,0,0,0,0|2,0,0]=4 187 B10R1.13 CN(C)C1=CC=C(C=C1)S CDS006116 [1,1,0,0,0,0|1,0,1]=4 188 B10R1.13 NC1=CC=C(C=C1)C(=O)O S820083 [1,1,0,0,0,0|1,0,1]=4 189 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] S571024 [1,1,0,0,0,0|1,0,1]=4 190 B10R1.13 O=C([O-])C1=CC=C(C=C1)I S840890 [1,1,0,0,0,0|1,0,1]=4 191 B10R1.13 O=S([O-])C1=CC=C(C=C1)Cl S614394 [1,1,0,0,0,0|2,0,0]=4 192 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)[O-] S592323 [1,1,0,0,0,0|2,0,0]=4 193 B10R1.28 CC(C)(N)C1=CC=CC=C1 CDS000619 [1,1,0,0,0,0|0,0,1]=3 194 B10R1.28 CC(C)(O)C1=CN=CC=C1 PH009821 [1,1,0,0,0,0|1,0,1]=4 195 B10R1.28 CP(=S)(C)C1=CC=CC=C1 S543330 [1,1,0,0,0,0|1,0,1]=4 196 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 R750611 [1,1,0,0,0,0|1,0,1]=4 197 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 S370363 [1,1,0,0,0,0|1,0,1]=4 198 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 S96440 [1,1,0,0,0,0|1,0,1]=4 199 B10R1.28 C[Te](Br)(Br)C1=CC=CC=C1 S14827 [1,1,0,0,0,0|2,0,0]=4 200 B10R1.28 O=P([O-])([O-])C1=CC=CC=C1 S828351 [1,1,0,0,0,0|2,0,0]=4 201 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 S828335 [1,1,0,0,0,0|2,0,0]=4 202 B10R1.61 C=C(C)C1=C(C=CC=C1)Cl PH015499 [1,1,0,0,0,0|0,0,1]=3 203 B10R1.61 CC(C)C1=C(C=CC=C1)Br T330086 [1,1,0,0,0,0|0,0,1]=3 204 B10R1.61 CC(N)C1=C(C=CC=C1)F CDS004461 [1,1,0,0,0,0|1,0,0]=3 205 B10R1.61 CC(N)C1=CC=CC=C1Cl CDS007479 [1,1,0,0,0,0|1,0,0]=3 206 B10R1.61 CC(O)C1=CC=CC=C1Br S412627 [1,1,0,0,0,0|0,0,1]=3 207 B10R1.61 CC(O)C1=CC=CC=[N+]1C S236144 [1,1,0,0,0,0|1,0,1]=4 208 B10R1.61 CC1=CC=CC=C1C(C)N CDS004159 [1,1,0,0,0,0|1,0,0]=3 209 B10R1.61 CC1=CC=CN=C1C(C)N CBR00418 [1,1,0,0,0,0|2,0,0]=4 210 B10R1.61 CN(C)C1=C(C=CC=C1)Cl CDS003001 [1,1,0,0,0,0|1,0,1]=4 211 B10R1.61 CS(=O)C1=CC=CC=C1O CDS005411 [1,1,0,0,0,0|1,0,0]=3 212 B10R1.61 C[C@@H](N)C1=CC=CC=C1O CDS019933 [1,1,0,0,0,0|1,0,0]=3 213 B10R1.61 FC1=C(C=CC=C1)C(F)F MNO000027 [1,1,0,0,0,0|2,0,0]=4 214 B10R1.61 O=C(O)C1=CC=CC=C1O R156981 [1,1,0,0,0,0|1,0,1]=4 215 B10R1.61 O=C(O)C1=CC=CC=C1O S693014 [1,1,0,0,0,0|1,0,1]=4 216 B10R1.61 O=C([O-])C1=C(C=CC=C1)O S171824 [1,1,0,0,0,0|1,0,1]=4 217 B10R1.61 O=[N+]([O-])C1=C(C=CC=C1)S PH000267 [1,1,0,0,0,0|2,0,0]=4 218 B10R1.61 O=[N+]([O-])C1=CC=CC=C1[O-] S682810 [1,1,0,0,0,0|2,0,0]=4 219 B10R1.113 BrC1=CC(=CC=C1)C(Br)Br S600709 [1,1,0,0,0,0|2,0,0]=4 220 B10R1.113 C=C(C)C1=CC(=CC=C1)C PH015479 [1,1,0,0,0,0|0,0,1]=3 221 B10R1.113 CC(=O)C1=CC=CC(=N1)C CDS003228 [1,1,0,0,0,0|1,0,1]=4 222 B10R1.113 CC(=O)C1=C[N+](=CC=C1)C S303313 [1,1,0,0,0,0|1,0,1]=4 223 B10R1.113 CC(C)C1=CC(=CC=C1)N CDS000639 [1,1,0,0,0,0|0,0,1]=3 224 B10R1.113 CC(C)C1=CC=CC(=C1)Br CDS003768 [1,1,0,0,0,0|0,0,1]=3 225 B10R1.113 CC(C)C1=CC=CC(=N1)N CDS009744 [1,1,0,0,0,0|1,0,1]=4 226 B10R1.113 CC(N)C1=CC=CC(=C1)O CDS012752 [1,1,0,0,0,0|1,0,0]=3 227 B10R1.113 CC(O)C1=CC=CC(=N1)N PH018818 [1,1,0,0,0,0|1,0,1]=4 228 B10R1.113 CC(O)C1=C[N+](=CC=C1)[O-] S668419 [1,1,0,0,0,0|1,0,1]=4 229 B10R1.113 CC1=CC(=CC=C1)C(C)N CDS020205 [1,1,0,0,0,0|1,0,0]=3 230 B10R1.113 CC1=CC(=CC=C1)[C@H](C)N CDS015842 [1,1,0,0,0,0|1,0,0]=3 231 B10R1.113 CC1=CC=CC(=C1)N(C)N PH012296 [1,1,0,0,0,0|2,0,0]=4 232 B10R1.113 CN(C)C1=CC=CC(=C1)Cl S428612 [1,1,0,0,0,0|1,0,1]=4 233 B10R1.113 CN(C)C1=CC=CC(=C1)N OTV000176 [1,1,0,0,0,0|1,0,1]=4 234 B10R1.113 CN(N)C1=CC=CC(=C1)Br PH012297 [1,1,0,0,0,0|2,0,0]=4 235 B10R1.113 FC1=CC=CC(=C1)C(F)F MNO000026 [1,1,0,0,0,0|2,0,0]=4 236 B10R1.113 NC(=O)C1=CC=CC(=C1)Br TMT00344 [1,1,0,0,0,0|1,0,1]=4 237 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CDS003328 [1,1,0,0,0,0|1,0,1]=4 238 B10R1.113 NC1=CC(=CC=C1)C(F)F MNO000180 [1,1,0,0,0,0|2,0,0]=4 239 B10R1.113 NC1=CC(=CC=C1)[N+](=O)[O-] R462284 [1,1,0,0,0,0|2,0,0]=4 240 B10R1.113 O=C(Cl)C1=CC=CC(=C1)I CDS001158 [1,1,0,0,0,0|1,0,1]=4 241 B10R1.1 C(=O)NC1=CC=C(C=C1)C S580171 [1,1,0,0,0,0|1,0,0]=3 242 B10R1.1 C(=O)NC1=CC=C(C=C1)O S540560 [1,1,0,0,0,0|1,0,0]=3 243 B10R1.1 C=COC1=CC=C(C=C1)N CDS001792 [1,1,0,0,0,0|2,0,0]=4 244 B10R1.1 CC1=CC=C(C=C1)CNN CBR00829 [1,1,0,0,0,0|2,0,0]=4 245 B10R1.1 CCCC1=CC=C(C=C1)Cl CDS002895 [1,1,0,0,0,0|1,0,1]=4 246 B10R1.1 CNCC1=CC=C(C=C1)C CDS014661 [1,1,0,0,0,0|2,0,0]=4 247 B10R1.1 COCC1=CC=C(C=C1)O S392596 [1,1,0,0,0,0|2,0,0]=4 248 B10R1.1 CSCC1=CC=C(C=C1)Br EME00156 [1,1,0,0,0,0|2,0,0]=4 249 B10R1.1 CSCC1=CC=C(C=C1)Cl S637947 [1,1,0,0,0,0|2,0,0]=4 250 B10R1.1 ClC1=CC=C(C=C1)/C=C/Br CDS004058 [1,1,0,0,0,0|1,0,1]=4 251 B10R1.1 FC1=CC=C(C=C1)CCCl CDS020717 [1,1,0,0,0,0|1,0,1]=4 252 B10R1.1 NNCC1=CC=C(C=C1)F CBR00828 [1,1,0,0,0,0|2,0,0]=4 253 B10R1.1 O=CNC1=CC=C(C=C1)F S576530 [1,1,0,0,0,0|1,0,0]=3 254 B10R1.1 [C-]#[N+]CC1=CC=C(C=C1)F PH015018 [1,1,0,0,0,0|2,0,0]=4 255 B10R1.4 C(=O)NC1=C(C=CC=C1)C S349992 [1,1,0,0,0,0|1,0,0]=3 256 B10R1.4 C(=O)NC1=C(C=CC=C1)Cl S775096 [1,1,0,0,0,0|1,0,0]=3 257 B10R1.4 C(=O)NC1=C(C=CC=C1)O S362476 [1,1,0,0,0,0|1,0,0]=3 258 B10R1.4 C=CCN1C=CC=CC1=O T161047 [1,1,0,0,0,0|2,0,0]=4 259 B10R1.4 C=CC[N+]1=CC=CC=C1N S142492 [1,1,0,0,0,0|2,0,0]=4 260 B10R1.4 C=CSC1=CC=CC=C1N PH007227 [1,1,0,0,0,0|2,0,0]=4 261 B10R1.4 CC1=C(C=CC=C1)CNN CBR02348 [1,1,0,0,0,0|2,0,0]=4 262 B10R1.4 CC1=C(N=CC=C1)NC=O S906697 [1,1,0,0,0,0|2,0,0]=4 263 B10R1.4 CC1=CC=CC=C1CCN CDS007535 [1,1,0,0,0,0|1,0,1]=4 264 B10R1.4 CNCC1=CC=CC=C1O CDS000322 [1,1,0,0,0,0|2,0,0]=4 265 B10R1.4 COCC1=CC=CC=C1Br CDS003612 [1,1,0,0,0,0|2,0,0]=4 266 B10R1.4 CSCC1=CC=CC=C1Br S663395 [1,1,0,0,0,0|2,0,0]=4 267 B10R1.4 NCCC1=CC=CC=C1N CDS005914 [1,1,0,0,0,0|1,0,1]=4 268 B10R1.4 NNCC1=CC=CC=C1Cl S441996 [1,1,0,0,0,0|2,0,0]=4 269 B10R1.4 O=CCC1=CC=CC=C1Br CDS018605 [1,1,0,0,0,0|0,0,0]=2 270 B10R1.4 O=CNC1=C(C=CC=C1)F PH008157 [1,1,0,0,0,0|1,0,0]=3 271 B10R1.10 C(=O)CC1=CC=CC(=C1)F CDS021826 [1,1,0,0,0,0|0,0,0]=2 272 B10R1.10 C(=O)NC1=CC(=CC=C1)C S350052 [1,1,0,0,0,0|1,0,0]=3 273 B10R1.10 CC1=CC(=CC=C1)CNN CBR00827 [1,1,0,0,0,0|2,0,0]=4 274 B10R1.10 CCCC1=CC(=CC=C1)O CDS001518 [1,1,0,0,0,0|1,0,1]=4 275 B10R1.10 CSCC1=CC(=CC=C1)Br EME00017 [1,1,0,0,0,0|2,0,0]=4 276 B10R1.10 FC1=CC=CC(=C1)CCBr CDS000178 [1,1,0,0,0,0|1,0,1]=4 277 B10R1.10 NNCC1=CC(=CC=C1)F PHB00030 [1,1,0,0,0,0|2,0,0]=4 278 B10R1.10 NNCC1=CC=CC(=C1)Cl CBR00830 [1,1,0,0,0,0|2,0,0]=4 279 B10R1.10 O=CCC1=CC(=CC=C1)Cl CDS007911 [1,1,0,0,0,0|0,0,0]=2 280 B10R1.10 O=CNC1=CC=CC(=C1)Cl PH000062 [1,1,0,0,0,0|1,0,0]=3 281 B10R1.10 [C-]#[N+]CC1=CC=CC(=C1)Cl CDS008970 [1,1,0,0,0,0|2,0,0]=4 282 B10R1.17 BrCCNC1=CC=CC=C1 S374776 [1,1,0,0,0,0|1,0,1]=4 283 B10R1.17 BrCCSC1=CC=CC=C1 PH011242 [1,1,0,0,0,0|1,0,1]=4 284 B10R1.17 C(=C/SC1=CC=CC=C1)\C T281522 [1,1,0,0,0,0|1,0,1]=4 285 B10R1.17 C(=C\C1=CC=CC=C1)\CN S302880 [1,1,0,0,0,0|1,0,1]=4 286 B10R1.17 C(=O)CSC1=CC=CC=C1 T216623 [1,1,0,0,0,0|0,0,0]=2 287 B10R1.17 C(=O)NNC1=CC=CC=C1 S984272 [1,1,0,0,0,0|1,0,0]=3 288 B10R1.17 C/C=C/SC1=CC=CC=C1 T282642 [1,1,0,0,0,0|1,0,1]=4 289 B10R1.17 C=CCSC1=CC=CC=C1 S614246 [1,1,0,0,0,0|1,0,0]=3 290 B10R1.17 CSC=CC1=CC=CC=C1 S332976 [1,1,0,0,0,0|0,1,1]=4 291 B10R1.17 N#CCNC1=CC=CC=C1 CDS003237 [1,1,0,0,0,0|1,0,1]=4 292 B10R1.17 NNCCC1=CC=CC=C1 CDS015167 [1,1,0,0,0,0|1,0,1]=4 293 B10R1.17 [SiH3]CCCC1=CC=CC=C1 S833584 [1,1,0,0,0,0|1,0,1]=4 294 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [1,1,0,0,0,0|1,0,0]=3 295 B10R1.18 CC(=O)CC1=CC=CC=N1 CDS009231 [1,1,0,0,0,0|1,0,0]=3 296 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [1,1,0,0,0,0|1,0,0]=3 297 B10R1.18 CC(=O)CC1=CN=CC=N1 CDS013843 [1,1,0,0,0,0|2,0,0]=4 298 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S596604 [1,1,0,0,0,0|1,0,0]=3 299 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S616583 [1,1,0,0,0,0|1,0,0]=3 300 B10R1.18 CC(=O)NC1=CC=CC=N1 S357146 [1,1,0,0,0,0|2,0,0]=4 301 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [1,1,0,0,0,0|2,0,0]=4 302 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [1,1,0,0,0,0|2,0,0]=4 303 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [1,1,0,0,0,0|2,0,0]=4 304 B10R1.18 NC(=O)CC1=CC=CC=N1 S561525 [1,1,0,0,0,0|1,0,0]=3 305 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 S501441 [1,1,0,0,0,0|1,0,0]=3 306 B10R1.18 O=C(Cl)SC1=CC=CC=C1 S561231 [1,1,0,0,0,0|1,0,0]=3 307 B10R1.18 O=C(O)CC1=CN=CC=N1 CDS003770 [1,1,0,0,0,0|2,0,0]=4 308 B10R1.18 O=C([O-])CC1=CN=CC=C1 S364703 [1,1,0,0,0,0|1,0,0]=3 309 B10R1.18 O=C([O-])C[N+]1=CC=CC=C1 S355224 [1,1,0,0,0,0|1,0,0]=3 310 B10R1.18 O=N(=O)CC1=CC=CC=C1 MNO000012 [1,1,0,0,0,0|1,0,0]=3 311 B12R1.32 C/C(=C\C1=CC=CC=C1)/C=N/O S626856 [0,1,0,0,0,1|0,0,2]=4 312 B12R1.32 C=CCC(O)CC1=CC=CC=C1 PH010446 [0,1,0,0,0,1|2,0,0]=4 313 B12R1.32 C=CCN(C)CC1=CC=CC=C1 S879746 [0,1,0,0,0,1|2,0,0]=4 314 B12R1.32 CC(CCN)SC1=CC=CC=C1 S117501 [0,1,0,0,0,1|1,0,1]=4 315 B12R1.32 CC(CNN)OC1=CC=CC=C1 PH018967 [0,1,0,0,0,1|1,0,1]=4 316 B12R1.32 O=CNC(=O)CC1=CC=CC=C1 S909793 [0,1,0,0,0,1|1,0,1]=4 317 B12R1.32 O=CNC(=O)NC1=CC=CC=C1 S856495 [0,1,0,0,0,1|1,0,1]=4 318 B12R1.34 CC(C#N)C(=O)C1=CC=CC=C1 S452645 [0,1,0,0,0,1|1,0,1]=4 319 B12R1.34 CC(C1=CC=CC=C1)N(C)N=O PH001188 [0,1,0,0,0,1|2,0,0]=4 320 B12R1.34 CC(CCl)C(=O)C1=CC=CC=C1 S919217 [0,1,0,0,0,1|1,0,1]=4 321 B12R1.34 CNC(C)C(O)C1=CC=CC=C1 PH018434 [0,1,0,0,0,1|2,0,0]=4 322 B12R1.43 CC(=O)N(C)NC1=CC=CC=C1 S548928 [0,1,0,0,0,1|1,0,0]=3 323 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S101400 [0,1,0,0,0,1|0,0,0]=2 324 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S494143 [0,1,0,0,0,1|0,0,0]=2 325 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S497290 [0,1,0,0,0,1|0,0,0]=2 326 B12R1.43 CC(SC1=CC=CC=C1)C(=O)O T214256 [0,1,0,0,0,1|0,0,0]=2 327 B12R1.43 CC(SC1=NC=CC=C1)C(=O)O EME00360 [0,1,0,0,0,1|1,0,0]=3 328 B12R1.43 CC(SC1=NC=CC=N1)C(=O)O EME00361 [0,1,0,0,0,1|2,0,0]=4 329 B12R1.43 CN(CC1=CC=CC=C1)C(=N)N PH015234 [0,1,0,0,0,1|2,0,0]=4 330 B12R1.43 CN(CC1=CC=CC=C1)C(=O)Cl PH008817 [0,1,0,0,0,1|1,0,0]=3 331 B12R1.43 CN(CC1=CC=CC=C1)C(=S)N CBR01175 [0,1,0,0,0,1|1,1,0]=4 332 B12R1.43 NC(CC1=CC=CC=N1)C(=O)O CDS020095 [0,1,0,0,0,1|2,0,0]=4 333 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O CDS020090 [0,1,0,0,0,1|2,0,0]=4 334 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O PH000113 [0,1,0,0,0,1|1,0,0]=3 335 B12R1.43 O=C(O)/C(=C/C1=CC=CC=C1)/Br S808768 [0,1,0,0,0,1|1,0,1]=4 336 B12R1.43 O=C(O)/C(=C/C1=CC=CC=C1)/Cl PH009328 [0,1,0,0,0,1|1,0,1]=4 337 B12R1.43 O=C(O)/C(=C\C1=CC=CC=C1)/Cl PH004529 [0,1,0,0,0,1|1,0,1]=4 338 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 T136158 [0,1,0,0,0,1|1,0,0]=3 339 B12R1.43 O=C(O)C(O)CC1=CC=CN=C1 CDS008837 [0,1,0,0,0,1|2,0,0]=4 340 B12R1.43 O=C([O-])C(O)CC1=CC=CC=C1 S789089 [0,1,0,0,0,1|1,0,0]=3 341 B12R1.49 CNC(C)CC1=CC=C(C=C1)O S411558 [0,1,0,0,0,1|2,0,0]=4 342 B12R1.49 NC(CC1=CC=C(C=C1)O)N=O PH016710 [0,1,0,0,0,1|2,0,0]=4 343 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 PH008400 [0,1,0,0,0,1|0,0,2]=4 344 B12R1.118 COC(OC)SC1=CC=CC=C1 S866296 [0,1,0,0,0,1|2,0,0]=4 345 B12R1.194 CC(C)(C#N)CC1=CC=CC=C1 OTV000771 [0,1,0,0,0,1|1,0,1]=4 346 B12R1.194 CC(C)(C#N)SC1=CC=CC=C1 S919322 [0,1,0,0,0,1|1,0,1]=4 347 B12R1.194 CC(C)(CN)CC1=CC=CC=C1 PH007325 [0,1,0,0,0,1|1,0,1]=4 348 B12R1.194 CC(C)(CO)CC1=CC=CC=C1 R425613 [0,1,0,0,0,1|0,0,2]=4 349 B12R1.194 CCC(C)(O)CC1=CC=CC=C1 PH010917 [0,1,0,0,0,1|1,0,1]=4 350 B12R1.9 CC(C)(CN)C1=CC=C(C=C1)Cl OTV000618 [0,2,0,0,0,0|1,0,1]=4 351 B12R1.9 CC1=CC=C(C=C1)C(C)(C)CBr T332704 [0,2,0,0,0,0|1,0,1]=4 352 B12R1.9 CCC(C)(O)C1=CC=C(C=C1)Br S497274 [0,2,0,0,0,0|1,0,1]=4 353 B12R1.10 CC(C)(CN)C1=CC=CC(=C1)Cl OTV000601 [0,2,0,0,0,0|1,0,1]=4 354 B12R1.39 C=CCC(C)(O)C1=CC=CC=C1 S837326 [0,2,0,0,0,0|1,0,0]=3 355 B12R1.39 C=CC[Si](C)(C)C1=CC=CC=C1 T274232 [0,2,0,0,0,0|1,1,0]=4 356 B12R1.39 CC(C)(CC#N)C1=CC=CC=C1 PH001293 [0,2,0,0,0,0|1,0,1]=4 357 B12R1.39 CC(C)(C[Hg]Cl)C1=CC=CC=C1 S882038 [0,2,0,0,0,0|1,0,1]=4 358 B12R1.39 CCCC(C)(O)C1=CC=CC=C1 S109665 [0,2,0,0,0,0|1,0,1]=4 359 B12R1.39 CNCC(C)(O)C1=CC=CC=C1 PH015679 [0,2,0,0,0,0|1,0,1]=4 360 B12R1.195 CC(C)(CN)C1=CC=CC=C1F OTV000631 [0,2,0,0,0,0|1,0,1]=4 361 B12R1.253 CC(=O)C(C)(O)C1=CC=CC=C1 S306045 [0,2,0,0,0,0|0,0,0]=2 362 B12R1.253 CC(=O)C(C)(O)C1=CC=CC=C1 S495409 [0,2,0,0,0,0|0,0,0]=2 363 B12R1.253 CC(C)(C(=O)N)C1=CC=CC=C1 PH011015 [0,2,0,0,0,0|0,0,0]=2 364 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 CDS000391 [0,2,0,0,0,0|0,0,0]=2 365 B12R1.253 CC(C)(C1=CC=NC=C1)[N+](=O)[O-] S918873 [0,2,0,0,0,0|2,0,0]=4 366 B12R1.253 CC(N)(C(=O)O)C1=CC=CC=C1 S116629 [0,2,0,0,0,0|0,0,0]=2 367 B12R1.253 CC(O)(C(=O)N)C1=CC=CC=C1 S888540 [0,2,0,0,0,0|0,0,0]=2 368 B12R1.253 CC(O)(C(=O)O)C1=CC=CC=C1 S315958 [0,2,0,0,0,0|0,0,0]=2 369 B12R1.475 CCC(C)(C#N)C1=CC=CC=C1 S490571 [0,2,0,0,0,0|1,0,1]=4 370 B12R1.475 CCC(C)(CO)C1=CC=CC=C1 S494623 [0,2,0,0,0,0|0,0,2]=4 371 B12R1.475 CCC(C)(CO)C1=CC=CC=C1 S495034 [0,2,0,0,0,0|0,0,2]=4 372 B12R1.475 CCC(C)(NN)C1=CC=CC=C1 S859311 [0,2,0,0,0,0|1,0,1]=4 373 B12R1.475 CCC(C)(OC)C1=CC=CC=C1 S495042 [0,2,0,0,0,0|1,0,1]=4 374 B12R1.3 CCCN(N=O)C1=CC=CC=C1 PH007170 [0,2,0,0,0,0|2,0,0]=4 375 B12R1.3 CCN[C@H](CO)C1=CC=CC=C1 PH015092 [0,2,0,0,0,0|0,0,2]=4 376 B12R1.3 CC[C@@H](N=C=O)C1=CC=CC=C1 CDS001187 [0,2,0,0,0,0|0,0,1]=3 377 B12R1.3 COC(CCCl)C1=CC=CC=C1 S352489 [0,2,0,0,0,0|1,0,1]=4 378 B12R1.3 OCCC(CO)C1=CC=CC=C1 PH007446 [0,2,0,0,0,0|0,0,2]=4 379 B12R1.13 CNC(C#N)C1=CC(=CC=C1)Cl L479241 [0,2,0,0,0,0|1,0,1]=4 380 B12R1.13 COC(OC)C1=CC=CC(=C1)N PH002938 [0,2,0,0,0,0|2,0,0]=4 381 B12R1.243 CCN(N=O)C1=CC=CC=C1C PH007144 [0,2,0,0,0,0|2,0,0]=4 382 B12R1.478 C(C)(O)C(CC)C1=CC=CC=C1 R157570 [0,2,0,0,0,0|0,0,2]=4 383 B12R1.478 C(C)(O)C(CC)C1=CC=CC=C1 S490466 [0,2,0,0,0,0|0,0,2]=4 384 B12R1.478 C(C)(O)C(CC)C1=CC=CC=C1 S495131 [0,2,0,0,0,0|0,0,2]=4 385 B12R1.478 C(CC)(C1=CC=CC=C1)[C@@H](C)O S316032 [0,2,0,0,0,0|0,0,2]=4 386 B12R1.478 CC(=O)/C(=N\O)/C1=CC=CC=C1 PH008967 [0,2,0,0,0,0|1,0,1]=4 387 B12R1.478 CC(C)C(C#N)C1=CC=CC=C1 S380946 [0,2,0,0,0,0|1,0,1]=4 388 B12R1.478 CCC(C(=O)N)C1=CC=CC=C1 S364401 [0,2,0,0,0,0|0,0,0]=2 389 B12R1.478 CCC(C(=O)[O-])C1=CC=CC=C1 S401900 [0,2,0,0,0,0|0,0,0]=2 390 B12R1.478 CCC(C(=O)[O-])C1=CC=CC=C1 S679364 [0,2,0,0,0,0|0,0,0]=2 391 B12R1.478 CCN(C(=O)Cl)C1=CC=CC=C1 PH010143 [0,2,0,0,0,0|1,0,0]=3 392 B12R1.478 CCN(C(=S)N)C1=CC=CC=C1 PH009721 [0,2,0,0,0,0|1,1,0]=4 393 B12R1.478 CNC(C(=O)C)C1=CC=CC=C1 PH012470 [0,2,0,0,0,0|0,0,0]=2 394 B12R1.478 CNC(C(=O)O)C1=CC=CN=C1 PH018220 [0,2,0,0,0,0|1,0,0]=3 395 B12R1.478 COC(C(=O)N)C1=CC=CC=C1 S937428 [0,2,0,0,0,0|0,0,0]=2 396 B12R1.478 COC(C(=O)[O-])C1=CC=CC=C1 S564001 [0,2,0,0,0,0|0,0,0]=2 397 B12R1.478 O=C(O)/C(=N\O)/C1=CC=CC=C1 S332178 [0,2,0,0,0,0|1,0,1]=4 398 B12R1.478 [C@@H](OC)(C(=O)Cl)C1=CC=CC=C1 T306541 [0,2,0,0,0,0|0,0,0]=2 399 B12R1.16 C=CCC(N)C1=CC=C(C=C1)F PH014951 [0,2,0,0,0,0|2,0,0]=4 400 B12R1.16 C[C@@H](N=C=O)C1=CC=C(C=C1)F CDS019968 [0,2,0,0,0,0|0,0,1]=3 401 B12R1.16 C[C@H](N=C=O)C1=CC=C(C=C1)F CDS019969 [0,2,0,0,0,0|0,0,1]=3 402 B12R1.17 C=CCC(N)C1=CC=CC(=C1)Cl PH015654 [0,2,0,0,0,0|2,0,0]=4 403 B12R1.17 C=CCC(O)C1=CC=CC(=C1)Br PH018221 [0,2,0,0,0,0|2,0,0]=4 404 B12R1.30 C#CCNC(C)C1=CC=CC=C1 CDS017603 [0,2,0,0,0,0|1,0,1]=4 405 B12R1.30 C=CCON(C)C1=CC=CC=C1 S663255 [0,2,0,0,0,0|2,0,0]=4 406 B12R1.30 CC(OCCO)C1=CC=CC=C1 PH001956 [0,2,0,0,0,0|0,0,2]=4 407 B12R1.107 C/C(=C/C(C)C)/C1=CC=CC=C1 S674036 [0,2,0,0,0,0|1,0,1]=4 408 B12R1.107 C/C(=C\C(=O)N)/C1=CC=CC=C1 PH007020 [0,2,0,0,0,0|0,0,1]=3 409 B12R1.107 C/C(=C\C(=O)O)/C1=CC=CC=C1 S808334 [0,2,0,0,0,0|0,0,1]=3 410 B12R1.107 C=C(Cl)CN(C)C1=CC=CC=C1 R226874 [0,2,0,0,0,0|2,0,0]=4 411 B12R1.107 CC(=O)NN(C)C1=CC=CC=C1 PH007050 [0,2,0,0,0,0|1,0,0]=3 412 B12R1.107 CC(CN(C)N)C1=CC=CC=C1 PH001335 [0,2,0,0,0,0|1,0,1]=4 413 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 PH000708 [0,2,0,0,0,0|0,0,0]=2 414 B12R1.107 NC(=O)NC(=O)C1=CC=CC=C1 S450545 [0,2,0,0,0,0|1,0,1]=4 415 B12R1.308 C=CCC(N)C1=C(C=CC=C1)Cl PH014964 [0,2,0,0,0,0|2,0,0]=4 416 B12R1.308 CCCC(C)C1=CC=CC=C1O S371343 [0,2,0,0,0,0|1,0,1]=4 417 B12R1.5 CNC(C)C1=CC=C(C=C1)OC CBR00774 [0,2,0,0,0,0|2,0,0]=4 418 B12R1.20 CC(=O)N(C)C1=CC=C(C=C1)Br S838691 [0,2,0,0,0,0|1,0,0]=3 419 B12R1.20 CC(=O)N(C)C1=CC=C(C=C1)Cl PH007239 [0,2,0,0,0,0|1,0,0]=3 420 B12R1.20 CC(=O)N(C)C1=CC=C(C=C1)N R750425 [0,2,0,0,0,0|1,0,0]=3 421 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)F S450359 [0,2,0,0,0,0|0,0,0]=2 422 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)O PH000116 [0,2,0,0,0,0|1,0,0]=3 423 B12R1.20 NC1=CC=C(C=C1)C(N)C(=O)O PH000028 [0,2,0,0,0,0|1,0,0]=3 424 B12R1.20 O=C(O)C(O)C1=CC=C(C=C1)Cl CDS019939 [0,2,0,0,0,0|1,0,0]=3 425 B12R1.367 CCC(C)C1=CC=C(C(=C1)Br)O PH010070 [0,2,0,0,0,0|1,0,1]=4 426 B12R1.367 CCC(C)C1=CC=C(C(=C1)N)O S626791 [0,2,0,0,0,0|1,0,1]=4 427 B12R1.367 CCC(C)C1=CC=C(C(=C1)O)O PH007367 [0,2,0,0,0,0|1,0,1]=4 428 B12R1.1703 C(=O)C(=O)C1=C(C=C(C=C1)F)F CDS022056 [0,2,0,0,0,0|1,0,1]=4 429 B12R1.225 CC(=O)C(=O)C1=CC(=CC=C1)Cl MNO000201 [0,2,0,0,0,0|1,0,1]=4 430 B12R1.225 CC(=O)N(C)C1=CC(=CC=C1)Cl S559024 [0,2,0,0,0,0|1,0,0]=3 431 B12R1.225 CC(=O)N(C)C1=CC=CC(=N1)Br CDS023643 [0,2,0,0,0,0|2,0,0]=4 432 B12R1.225 CC(C1=CC=CC(=C1)O)N(C)C CDS006914 [0,2,0,0,0,0|2,0,0]=4 433 B12R1.225 O=C(O)C(O)C1=CC=CC(=C1)Br PH011789 [0,2,0,0,0,0|1,0,0]=3 434 B12R1.435 CNC(C)C1=CC(=CC=C1)OC CBR01308 [0,2,0,0,0,0|2,0,0]=4 435 B12R1.435 COC1=CC=CC(=C1)C(=O)C=O PH017741 [0,2,0,0,0,0|1,0,1]=4 436 B12R1.124 CC(C(=O)O)C1=CC=CC=C1F CDS023363 [0,2,0,0,0,0|0,0,0]=2 437 B12R1.124 CC1=CC=CC=C1C(C)C(=O)O S376779 [0,2,0,0,0,0|0,0,0]=2 438 B12R1.564 CC(C1=CC=CC=C1)[N+](C)(C)C S312444 [0,2,0,0,0,0|2,0,0]=4 439 B12R1.564 CC(C1=CC=CC=C1)[N+](C)(C)C S988030 [0,2,0,0,0,0|2,0,0]=4 440 B12R1.564 NC(C1=CC=CC=C1)P(=O)(O)O PH011415 [0,2,0,0,0,0|2,0,0]=4 441 B12R1.564 NC(C1=CC=CC=C1)S(=O)(=O)O PH008647 [0,2,0,0,0,0|2,0,0]=4 442 B12R1.564 O=P(O)(O)C(O)C1=CC=CC=C1 PH010920 [0,2,0,0,0,0|2,0,0]=4 443 B12R1.564 O=P([O-])([O-])C(O)C1=CC=CC=C1 S602604 [0,2,0,0,0,0|2,0,0]=4 444 B12R1.564 O=S(=O)([O-])C(Cl)C1=CC=CC=C1 T169153 [0,2,0,0,0,0|2,0,0]=4 445 B12R1.564 O=S(=O)([O-])C(O)C1=CC=CC=C1 S512184 [0,2,0,0,0,0|2,0,0]=4 446 B10R1.27 C/C(=C\C1=CC=CO1)/C=O PH011362 [0,0,1,1,0,0|1,0,1]=4 447 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [1,0,0,1,0,0|0,0,1]=3 448 B10R2.7 C1=CC2=C(C=C1)SC=N2 R587656 [1,0,0,1,0,0|1,1,0]=4 449 B10R2.7 C1=CC2=C(C=C1)[Se]C=N2 S440051 [1,0,0,1,0,0|1,1,0]=4 450 B10R2.7 [NH+]1=CSC2=C1C=CC=C2 R241989 [1,0,0,1,0,0|1,1,0]=4 451 B12R2.18 CC1CC2=C(N1C)C=CC=C2 S786780 [0,0,0,1,0,1|2,0,0]=4 452 B12R2.18 CN1CC2=C(C1=O)C=CC=C2 S701564 [0,0,0,1,0,1|1,0,0]=3 453 B12R2.18 CN1SC2=C(C1=S)C=CC=C2 S875511 [0,0,0,1,0,1|1,1,0]=4 454 B12R2.24 CC1CNC2=CC=CC=C2O1 VBP00114 [0,0,0,1,0,1|1,0,1]=4 455 B12R2.24 C[N+]1=CC2=C(C=CC=C2)C=C1 S619213 [0,0,0,1,0,1|2,0,0]=4 456 B12R2.27 N#CC1C[C@@H]1C2=CC=CC=C2 S446866 [0,0,0,1,0,1|1,0,1]=4 457 B12R2.32 CNC1CC2=CC=CC=C2C1 CBR01430 [0,0,0,1,0,1|2,0,0]=4 458 B12R2.32 NNC1CC2=C(C1)C=CC=C2 CBR01348 [0,0,0,1,0,1|2,0,0]=4 459 B12R2.32 NNC1CC2=CC=CC=C2C1 PH019071 [0,0,0,1,0,1|2,0,0]=4 460 B12R2.32 O=CC1=NC2=C(N1)C=CC=C2 PH006841 [0,0,0,1,0,1|1,0,1]=4 461 B12R2.48 N#CC1(CC1)C2=CC=CC=C2 PH000032 [0,1,0,1,0,0|1,0,1]=4 462 B12R2.48 NCC1(CC1)C2=CC=CC=C2 CDS007962 [0,1,0,1,0,0|1,0,1]=4 463 B12R2.1 BrCC1=CSC2=C1C=CC=C2 CDS020684 [0,1,0,1,0,0|0,1,1]=4 464 B12R2.1 CC[N+]1=CSC2=C1C=CC=C2 S32981 [0,1,0,1,0,0|1,1,0]=4 465 B12R2.1 NCC1=CNC2=C1C=CC=C2 CDS020852 [0,1,0,1,0,0|1,0,1]=4 466 B12R2.1 NCC1=CSC2=C1C=CC=C2 CDS018595 [0,1,0,1,0,0|0,1,1]=4 467 B12R2.1 NNC1CCC2=CC=CC=C12 PH019558 [0,1,0,1,0,0|2,0,0]=4 468 B12R2.1 OCC1=CSC2=C1C=CC=C2 PH014781 [0,1,0,1,0,0|0,1,1]=4 469 B12R2.2 C1=CC=C(C=C1)C2=CCCC2 L170011 [0,1,0,1,0,0|1,0,1]=4 470 B12R2.2 C1=CC=C(C=C1)C2CCCC2 S109770 [0,1,0,1,0,0|1,0,1]=4 471 B12R2.2 C1=CC=C(C=C1)C2CCCC2 S549312 [0,1,0,1,0,0|1,0,1]=4 472 B12R2.2 C1=CC=C(C=C1)C2NCCS2 S204609 [0,1,0,1,0,0|2,0,0]=4 473 B12R2.2 C1=CC=C(C=C1)C2OCCS2 S653845 [0,1,0,1,0,0|2,0,0]=4 474 B12R2.2 C1=CC=C(C=C1)[C@H]2CCNC2 CDS009943 [0,1,0,1,0,0|1,0,1]=4 475 B12R2.1081 C[N+]1=CC=CC2=C1C=CC=C2 S706817 [0,1,0,1,0,0|2,0,0]=4 476 B12R2.2028 CC1=CN(C2=C1C=CC=C2)C S705845 [0,1,0,1,0,0|1,0,1]=4 477 B12R2.2028 CC1OC(=O)C2=C1C=CC=C2 PH010378 [0,1,0,1,0,0|0,0,0]=2 478 B12R2.2028 O=C1NS(=O)C2=C1C=CC=C2 PH009216 [0,1,0,1,0,0|2,0,0]=4 479 B12R2.2028 O=C1SC(=O)C2=C1C=CC=C2 PH009710 [0,1,0,1,0,0|1,0,1]=4 480 B12R2.2028 O=C1[N-]C(=O)C2=C1C=CC=C2 R426687 [0,1,0,1,0,0|1,0,1]=4 481 B12R2.612 CN1C=CC2=C1C=CC(=C2)N CDS014563 [0,1,0,1,0,0|2,0,0]=4 482 B12R2.612 CN1C=NC2=CC(=CC=C12)Br CDS023161 [0,1,0,1,0,0|2,0,0]=4 483 B12R2.2302 FC1=CC=C(C=C1)C2CNC2 CDS020373 [0,1,0,1,0,0|1,0,1]=4 484 B12R2.132 CC1=CNC2=C1C=C(C=C2)Cl PHB00308 [0,1,0,1,0,0|1,0,1]=4 485 B12R2.132 CC1=CSC2=CC=C(C=C12)Br CDS015937 [0,1,0,1,0,0|0,1,1]=4 486 B12R2.132 CN1C=NC2=CC=C(C=C12)Br CDS008133 [0,1,0,1,0,0|2,0,0]=4 487 B12R2.132 CN1C=NC2=CC=C(C=C12)N CDS019276 [0,1,0,1,0,0|2,0,0]=4 488 B12R2.196 CC1=CNC2=C(C=CC=C12)Br T117943 [0,1,0,1,0,0|1,0,1]=4 489 B12R2.196 CN1C=CC2=C(C=CC=C12)N CDS005244 [0,1,0,1,0,0|2,0,0]=4 490 B12R2.2313 ClC1=CC=CC(=C1)C2CNC2 CDS020411 [0,1,0,1,0,0|1,0,1]=4 491 B12R2.92 BrC1(CC1C2=CC=CC=C2)Br L168734 [0,1,0,1,0,0|1,0,1]=4 492 B8R1.7 CC(=O)C1=CNC=C1 CDS015198 [1,0,0,0,1,0|1,0,1]=4 493 B8R1.7 CC(N)C1=CC=CS1 BOG00116 [1,0,0,0,1,0|2,0,0]=4 494 B8R1.7 CC(N)C1=CC=CS1 CDS002035 [1,0,0,0,1,0|2,0,0]=4 495 B8R1.7 CC(N)C1=CSC=C1 CBR01452 [1,0,0,0,1,0|2,0,0]=4 496 B12R1.27 C=CC(C)CSC1=CC=CC=C1 T215546 [0,0,0,0,0,2|1,0,0]=3 497 B12R1.27 CC(C#N)CSC1=CC=CC=C1 S614289 [0,0,0,0,0,2|1,0,1]=4