0 B9R1.8 BrCCC1=CC=CN=C1 CDS024209 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.8 C(=N/O)\C1=CC=CC=C1 S893145 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.8 C(=O)NC1=CN=CC=C1 S243426 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.8 C/C=C/C1=CC=CC=N1 PH007383 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.8 CCCC1=CC=NC=C1 S573086 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.8 CCOC1=CC=CC=N1 S442267 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.8 CNCC1=NC=NC=C1 PH017743 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.8 CNCC1=NC=NC=C1 PH019105 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.8 CNNC1=CC=CC=C1 PH012261 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.8 COCC1=CC=CC=N1 S363146 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.8 Cl[Hg]CC1=CC=CC=C1 S810894 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.8 IC#CC1=NC=CC=C1 RNI00054 [0,0,0,0,0,0|2,0,2]=4 12 B9R1.8 I[Hg]CC1=CC=CC=C1 S838705 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.8 NCCC1=CC=CN=C1 CDS003709 [0,0,0,0,0,0|1,0,0]=1 14 B9R1.8 NCCC1=CC=CN=C1 CDS022961 [0,0,0,0,0,0|1,0,0]=1 15 B9R1.8 NOCC1=CC=CC=C1 CDS001502 [0,0,0,0,0,0|1,0,0]=1 16 B9R1.8 O=C=NC1=CC=CN=C1 CDS004476 [0,0,0,0,0,0|3,0,1]=4 17 B9R1.8 OCCC1=CC=CN=C1 CDS008359 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.8 OCC[N+]1=CC=CC=C1 T161055 [0,0,0,0,0,0|2,0,0]=2 19 B9R1.8 SCCC1=CC=CC=N1 CDS004787 [0,0,0,0,0,0|2,0,0]=2 20 B9R1.8 SCCC1=CC=NC=C1 CDS000260 [0,0,0,0,0,0|2,0,0]=2 21 B9R1.8 SCCC1=CC=NC=C1 CDS004770 [0,0,0,0,0,0|2,0,0]=2 22 B9R1.8 [C-]#[N+]CC1=CC=CN=C1 PH015401 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.8 [C-]#[N+]CC1=CC=NC=C1 PH015037 [0,0,0,0,0,0|3,0,0]=3 24 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [1,0,0,0,0,0|2,0,0]=3 25 B8R1.2 C#CC1=CC=NC=C1 CDS000023 [1,0,0,0,0,0|1,0,2]=4 26 B8R1.2 C1(C=CCC=C1)CO T175528 [1,0,0,0,0,0|1,0,2]=4 27 B8R1.2 C=CC1=CC=CC=C1 S460680 [1,0,0,0,0,0|0,0,2]=3 28 B8R1.2 C=CC1=CC=CC=C1 S461830 [1,0,0,0,0,0|0,0,2]=3 29 B8R1.2 C=CC1=CC=CC=C1 S462152 [1,0,0,0,0,0|0,0,2]=3 30 B8R1.2 COC1=NC=CC=N1 CDS005079 [1,0,0,0,0,0|3,0,0]=4 31 B8R1.2 CSC1=NC=CC=N1 SYX00290 [1,0,0,0,0,0|3,0,0]=4 32 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [1,0,0,0,0,0|2,0,0]=3 33 B8R1.2 NCC1=CC=CC=C1 S696684 [1,0,0,0,0,0|0,0,0]=1 34 B8R1.2 NCC1=CN=CC=C1 S763780 [1,0,0,0,0,0|1,0,0]=2 35 B8R1.2 NCC1=CN=CC=N1 CDS009594 [1,0,0,0,0,0|2,0,0]=3 36 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [1,0,0,0,0,0|2,0,0]=3 37 B8R1.2 OCC1=CC=CN=N1 CDS015970 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [1,0,0,0,0,0|2,0,0]=3 39 B10R1.1 C(=O)NC1=CC=C(C=C1)C S580171 [0,1,0,0,0,0|2,0,1]=4 40 B10R1.1 C(=O)NC1=CC=C(C=C1)O S540560 [0,1,0,0,0,0|2,0,1]=4 41 B10R1.1 C=COC1=CC=C(C=C1)N CDS001792 [0,1,0,0,0,0|2,0,1]=4 42 B10R1.1 CC1=CC=C(C=C1)/C=N/O S907154 [0,1,0,0,0,0|2,0,1]=4 43 B10R1.1 CC1=CC=C(C=C1)C#CI RNI00066 [0,1,0,0,0,0|1,0,2]=4 44 B10R1.1 CC1=CC=C(C=C1)CNN CBR00829 [0,1,0,0,0,0|1,0,0]=2 45 B10R1.1 CC1=CC=C(C=N1)CNN PH019120 [0,1,0,0,0,0|2,0,0]=3 46 B10R1.1 CC1=CN=C(C=C1)CNN PH019260 [0,1,0,0,0,0|2,0,0]=3 47 B10R1.1 CC1=CN=C(C=N1)CNN PH019269 [0,1,0,0,0,0|3,0,0]=4 48 B10R1.1 CC1=NC=C(C=C1)CCN CDS023206 [0,1,0,0,0,0|1,0,0]=2 49 B10R1.1 CCCC1=CC=C(C=C1)Cl CDS002895 [0,1,0,0,0,0|1,0,0]=2 50 B10R1.1 CCC[N+]1=CC=C(C=C1)C S635588 [0,1,0,0,0,0|2,0,0]=3 51 B10R1.1 CCNC1=CC=C(C=C1)Cl PH011437 [0,1,0,0,0,0|2,0,0]=3 52 B10R1.1 CCOC1=CC=C(C=C1)F S362093 [0,1,0,0,0,0|2,0,0]=3 53 B10R1.1 CCOC1=CC=C(C=C1)N S566292 [0,1,0,0,0,0|2,0,0]=3 54 B10R1.1 CCOC1=NC=C(C=C1)N PH010489 [0,1,0,0,0,0|3,0,0]=4 55 B10R1.1 CCSC1=CC=C(C=C1)C S832812 [0,1,0,0,0,0|2,0,0]=3 56 B10R1.1 CCSC1=CC=C(C=C1)N CBR00879 [0,1,0,0,0,0|2,0,0]=3 57 B10R1.1 CNCC1=CC=C(C=C1)C CDS014661 [0,1,0,0,0,0|2,0,0]=3 58 B10R1.1 CNCC1=CC=C(N=C1)Cl CBR01530 [0,1,0,0,0,0|3,0,0]=4 59 B10R1.1 COCC1=CC=C(C=C1)O S392596 [0,1,0,0,0,0|2,0,0]=3 60 B10R1.1 CSCC1=CC=C(C=C1)Br EME00156 [0,1,0,0,0,0|2,0,0]=3 61 B10R1.1 CSCC1=CC=C(C=C1)Cl S637947 [0,1,0,0,0,0|2,0,0]=3 62 B10R1.1 ClC1=CC=C(C=C1)/C=C/Br CDS004058 [0,1,0,0,0,0|1,0,2]=4 63 B10R1.1 FC1=CC=C(C=C1)CCCl CDS020717 [0,1,0,0,0,0|1,0,0]=2 64 B10R1.1 NNCC1=CC=C(C=C1)F CBR00828 [0,1,0,0,0,0|1,0,0]=2 65 B10R1.1 O/N=C/C1=CC=C(C=C1)I S907146 [0,1,0,0,0,0|2,0,1]=4 66 B10R1.1 O/N=C/C1=CC=C(C=C1)O PH010937 [0,1,0,0,0,0|2,0,1]=4 67 B10R1.1 O=CNC1=CC=C(C=C1)F S576530 [0,1,0,0,0,0|2,0,1]=4 68 B10R1.1 ON=CC1=CC=C(C=C1)Cl S520594 [0,1,0,0,0,0|2,0,1]=4 69 B10R1.1 [C-]#[N+]CC1=CC=C(C=C1)F PH015018 [0,1,0,0,0,0|2,0,0]=3 70 B10R1.4 C(=O)NC1=C(C=CC=C1)C S349992 [0,1,0,0,0,0|2,0,1]=4 71 B10R1.4 C(=O)NC1=C(C=CC=C1)Cl S775096 [0,1,0,0,0,0|2,0,1]=4 72 B10R1.4 C(=O)NC1=C(C=CC=C1)O S362476 [0,1,0,0,0,0|2,0,1]=4 73 B10R1.4 C=CCN1C=CC=CC1=O T161047 [0,1,0,0,0,0|2,0,1]=4 74 B10R1.4 C=CC[N+]1=CC=CC=C1N S142492 [0,1,0,0,0,0|2,0,1]=4 75 B10R1.4 C=CSC1=CC=CC=C1N PH007227 [0,1,0,0,0,0|2,0,1]=4 76 B10R1.4 CC1=C(C=CC=C1)CNN CBR02348 [0,1,0,0,0,0|1,0,0]=2 77 B10R1.4 CC1=CC=CC=C1CCN CDS007535 [0,1,0,0,0,0|0,0,0]=1 78 B10R1.4 CC1=CC=CN=C1CCN CDS009037 [0,1,0,0,0,0|1,0,0]=2 79 B10R1.4 CC1=NC=CC=C1CNN PH019261 [0,1,0,0,0,0|2,0,0]=3 80 B10R1.4 CCNC1=CC=CC=C1C S571016 [0,1,0,0,0,0|2,0,0]=3 81 B10R1.4 CCOC1=CC=CC=C1F S362085 [0,1,0,0,0,0|2,0,0]=3 82 B10R1.4 CCOC1=NC=CC=C1I ADE000294 [0,1,0,0,0,0|3,0,0]=4 83 B10R1.4 CCSC1=C(C=CC=C1)O PH000049 [0,1,0,0,0,0|2,0,0]=3 84 B10R1.4 CNCC1=CC=CC=C1O CDS000322 [0,1,0,0,0,0|2,0,0]=3 85 B10R1.4 CNCC1=CC=CN=C1Cl CBR00860 [0,1,0,0,0,0|3,0,0]=4 86 B10R1.4 COCC1=CC=CC=C1Br CDS003612 [0,1,0,0,0,0|2,0,0]=3 87 B10R1.4 CSCC1=CC=CC=C1Br S663395 [0,1,0,0,0,0|2,0,0]=3 88 B10R1.4 ClC1=CC=CC=C1C#CI RNI00102 [0,1,0,0,0,0|1,0,2]=4 89 B10R1.4 NCCC1=CC=CC=C1N CDS005914 [0,1,0,0,0,0|0,0,0]=1 90 B10R1.4 NCCN1C=CC=CC1=O PH019084 [0,1,0,0,0,0|1,0,0]=2 91 B10R1.4 NCCN1C=CC=CC1=O T300829 [0,1,0,0,0,0|1,0,0]=2 92 B10R1.4 NNCC1=CC=CC=C1Cl S441996 [0,1,0,0,0,0|1,0,0]=2 93 B10R1.4 O/N=C/C1=CC=CC=C1F S550531 [0,1,0,0,0,0|2,0,1]=4 94 B10R1.4 O=C1C=CC=CN1CCO T161284 [0,1,0,0,0,0|2,0,0]=3 95 B10R1.4 O=CCC1=CC=CC=C1Br CDS018605 [0,1,0,0,0,0|1,0,1]=3 96 B10R1.4 O=CNC1=C(C=CC=C1)F PH008157 [0,1,0,0,0,0|2,0,1]=4 97 B10R1.10 C(=O)CC1=CC=CC(=C1)F CDS021826 [0,1,0,0,0,0|1,0,1]=3 98 B10R1.10 C(=O)NC1=CC(=CC=C1)C S350052 [0,1,0,0,0,0|2,0,1]=4 99 B10R1.10 CC1=CC(=CC=C1)CNN CBR00827 [0,1,0,0,0,0|1,0,0]=2 100 B10R1.10 CC1=CC=CC(=N1)CCN CBR01608 [0,1,0,0,0,0|1,0,0]=2 101 B10R1.10 CC1=CC=CC(=N1)CNN PH019298 [0,1,0,0,0,0|2,0,0]=3 102 B10R1.10 CC1=NC(=CC=C1)CCBr CBR02390 [0,1,0,0,0,0|2,0,0]=3 103 B10R1.10 CC1=NC=CC(=C1)CNN PH019247 [0,1,0,0,0,0|2,0,0]=3 104 B10R1.10 CCCC1=CC(=CC=C1)O CDS001518 [0,1,0,0,0,0|1,0,0]=2 105 B10R1.10 CCNC1=CC=CC(=C1)O PH010496 [0,1,0,0,0,0|2,0,0]=3 106 B10R1.10 CCOC1=CC(=CC=N1)Br CDS009065 [0,1,0,0,0,0|3,0,0]=4 107 B10R1.10 CCOC1=NC(=CC=C1)Cl S446335 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.10 CCSC1=CC=CC(=C1)Br SYX00287 [0,1,0,0,0,0|2,0,0]=3 109 B10R1.10 CNCC1=CC=CC(=N1)N PH015469 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.10 CNCC1=NC(=CC=C1)C S363774 [0,1,0,0,0,0|3,0,0]=4 111 B10R1.10 CNNC1=CC=CC(=C1)Br PH012299 [0,1,0,0,0,0|3,0,0]=4 112 B10R1.10 COCC1=CC=CC(=N1)C S352160 [0,1,0,0,0,0|3,0,0]=4 113 B10R1.10 CSCC1=CC(=CC=C1)Br EME00017 [0,1,0,0,0,0|2,0,0]=3 114 B10R1.10 ClC1=CC(=CC=C1)C#CI RNI00103 [0,1,0,0,0,0|1,0,2]=4 115 B10R1.10 FC1=CC=CC(=C1)C#CI RNI00108 [0,1,0,0,0,0|1,0,2]=4 116 B10R1.10 FC1=CC=CC(=C1)CCBr CDS000178 [0,1,0,0,0,0|1,0,0]=2 117 B10R1.10 N#CCC1=CC(=CN=C1)Br PHB00054 [0,1,0,0,0,0|1,0,2]=4 118 B10R1.10 N#CCC1=C[N+](=CC=C1)[O-] PH004983 [0,1,0,0,0,0|1,0,2]=4 119 B10R1.10 NC1=CC(=CC=C1)C=NO PH009193 [0,1,0,0,0,0|2,0,1]=4 120 B10R1.10 NNCC1=CC(=CC=C1)F PHB00030 [0,1,0,0,0,0|1,0,0]=2 121 B10R1.10 NNCC1=CC=CC(=C1)Cl CBR00830 [0,1,0,0,0,0|1,0,0]=2 122 B10R1.10 O/N=C/C1=CC=CC(=C1)I S907049 [0,1,0,0,0,0|2,0,1]=4 123 B10R1.10 O/N=C\C1=CC(=CC=C1)Cl L169935 [0,1,0,0,0,0|2,0,1]=4 124 B10R1.10 O=CCC1=CC(=CC=C1)Cl CDS007911 [0,1,0,0,0,0|1,0,1]=3 125 B10R1.10 O=CNC1=CC=CC(=C1)Cl PH000062 [0,1,0,0,0,0|2,0,1]=4 126 B10R1.10 ON=CC1=CC=CC(=C1)F S550558 [0,1,0,0,0,0|2,0,1]=4 127 B10R1.10 [C-]#[N+]CC1=CC=CC(=C1)Cl CDS008970 [0,1,0,0,0,0|2,0,0]=3 128 B10R1.15 C/C(=C/Br)/C1=CC=CC=C1 S881791 [0,1,0,0,0,0|1,0,2]=4 129 B10R1.15 C=C(OC)C1=CC=CC=C1 PH000315 [0,1,0,0,0,0|2,0,1]=4 130 B10R1.15 CC(CBr)C1=CC=CC=C1 S461210 [0,1,0,0,0,0|1,0,0]=2 131 B10R1.15 CC(NN)C1=CC=CC=C1 PH009827 [0,1,0,0,0,0|1,0,0]=2 132 B10R1.15 CCB(N)C1=CC=CC=C1 S320773 [0,1,0,0,0,0|2,0,0]=3 133 B10R1.15 CCC(=O)C1=NC=CC=C1 CDS007501 [0,1,0,0,0,0|2,0,1]=4 134 B10R1.15 CCC(N)C1=CC=CC=N1 CBR00661 [0,1,0,0,0,0|2,0,0]=3 135 B10R1.15 CCC(N)C1=CC=CN=C1 CBR00143 [0,1,0,0,0,0|2,0,0]=3 136 B10R1.15 CCC(N)C1=CC=NC=C1 CBR01655 [0,1,0,0,0,0|2,0,0]=3 137 B10R1.15 CCN(C)C1=CC=CC=C1 R750956 [0,1,0,0,0,0|2,0,0]=3 138 B10R1.15 CCN(N)C1=CC=CC=C1 PH010945 [0,1,0,0,0,0|2,0,0]=3 139 B10R1.15 CN(N=O)C1=CC=CC=C1 PH000088 [0,1,0,0,0,0|3,0,0]=4 140 B10R1.15 CNC(C)C1=CC=CC=C1 CDS010605 [0,1,0,0,0,0|2,0,0]=3 141 B10R1.15 CNC(C)C1=CC=CC=C1 T172782 [0,1,0,0,0,0|2,0,0]=3 142 B10R1.15 CSC(=O)C1=CC=CC=C1 S918059 [0,1,0,0,0,0|2,0,1]=4 143 B10R1.15 ClCC(Cl)C1=CC=CC=C1 PH010970 [0,1,0,0,0,0|1,0,0]=2 144 B10R1.15 N#CN(N)C1=CC=CC=C1 PH008710 [0,1,0,0,0,0|1,0,2]=4 145 B10R1.15 N/C(=N\O)/C1=CC=CC=C1 CDS001188 [0,1,0,0,0,0|2,0,1]=4 146 B10R1.15 NC(CO)C1=CC=CC=C1 CDS003505 [0,1,0,0,0,0|1,0,0]=2 147 B10R1.15 NC(CO)C1=CC=CN=C1 CDS010268 [0,1,0,0,0,0|2,0,0]=3 148 B10R1.15 NCC(=O)C1=CC=NC=C1 PH019007 [0,1,0,0,0,0|1,0,1]=3 149 B10R1.15 NCC(Cl)C1=CC=CC=C1 PH012604 [0,1,0,0,0,0|0,0,0]=1 150 B10R1.15 NNC(=O)C1=CC=CC=C1 S463663 [0,1,0,0,0,0|1,0,1]=3 151 B10R1.15 NNC(=O)C1=CC=CC=N1 CDS000511 [0,1,0,0,0,0|2,0,1]=4 152 B10R1.15 O=C(CBr)C1=NC=CC=C1 CDS017722 [0,1,0,0,0,0|2,0,1]=4 153 B10R1.15 O=C(N[O-])C1=CC=CC=C1 S453080 [0,1,0,0,0,0|2,0,1]=4 154 B10R1.15 OC(CBr)C1=CC=CC=N1 PH013752 [0,1,0,0,0,0|2,0,0]=3 155 B10R1.15 [Li]OS(=O)C1=CC=CC=C1 S301140 [0,1,0,0,0,0|3,0,0]=4 156 B10R1.17 BrCCNC1=CC=CC=C1 S374776 [0,1,0,0,0,0|1,0,0]=2 157 B10R1.17 BrCCSC1=CC=CC=C1 PH011242 [0,1,0,0,0,0|1,0,0]=2 158 B10R1.17 C(=C/SC1=CC=CC=C1)\C T281522 [0,1,0,0,0,0|1,0,2]=4 159 B10R1.17 C(=C\C1=CC=CC=C1)\CN S302880 [0,1,0,0,0,0|0,0,1]=2 160 B10R1.17 C(=O)CSC1=CC=CC=C1 T216623 [0,1,0,0,0,0|1,0,1]=3 161 B10R1.17 C(=O)NNC1=CC=CC=C1 S984272 [0,1,0,0,0,0|2,0,1]=4 162 B10R1.17 C/C=C/SC1=CC=CC=C1 T282642 [0,1,0,0,0,0|1,0,2]=4 163 B10R1.17 C=CCSC1=CC=CC=C1 S614246 [0,1,0,0,0,0|1,0,1]=3 164 B10R1.17 CCCC[N+]1=CC=CC=C1 CDS000353 [0,1,0,0,0,0|2,0,0]=3 165 B10R1.17 CCNCC1=NC=CC=C1 CBR00044 [0,1,0,0,0,0|2,0,0]=3 166 B10R1.17 CNCCC1=CC=NC=C1 CDS007517 [0,1,0,0,0,0|1,0,0]=2 167 B10R1.17 CNCCC1=NC=CC=C1 R750492 [0,1,0,0,0,0|1,0,0]=2 168 B10R1.17 COCCC1=CC=NC=C1 PH007374 [0,1,0,0,0,0|2,0,0]=3 169 B10R1.17 CSC=CC1=CC=CC=C1 S332976 [0,1,0,0,0,0|1,0,2]=4 170 B10R1.17 CSCCC1=NC=CC=C1 PH007369 [0,1,0,0,0,0|2,0,0]=3 171 B10R1.17 ClCCCC1=CC=CC=N1 CDS021720 [0,1,0,0,0,0|2,0,0]=3 172 B10R1.17 N#CCCC1=NC=CC=C1 CBR00364 [0,1,0,0,0,0|1,0,1]=3 173 B10R1.17 N#CCNC1=CC=CC=C1 CDS003237 [0,1,0,0,0,0|0,0,2]=3 174 B10R1.17 NCCCC1=CN=CN=C1 PH019029 [0,1,0,0,0,0|2,0,0]=3 175 B10R1.17 NNCCC1=CC=CC=C1 CDS015167 [0,1,0,0,0,0|0,0,0]=1 176 B10R1.17 NNCCC1=CC=CN=C1 PH019024 [0,1,0,0,0,0|1,0,0]=2 177 B10R1.17 [C-]#[N+]CCC1=NC=CC=C1 PH015418 [0,1,0,0,0,0|1,0,1]=3 178 B10R1.17 [N-]=[N+]=NCC1=CN=CC=C1 CBR01635 [0,1,0,0,0,0|2,0,1]=4 179 B10R1.17 [SiH3]CCCC1=CC=CC=C1 S833584 [0,1,0,0,0,0|1,0,0]=2 180 B10R1.18 BrC(Br)[Hg]C1=CC=CC=C1 S110507 [0,1,0,0,0,0|2,0,0]=3 181 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [0,1,0,0,0,0|1,0,1]=3 182 B10R1.18 CC(=O)CC1=CC=CC=N1 CDS009231 [0,1,0,0,0,0|2,0,1]=4 183 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [0,1,0,0,0,0|2,0,1]=4 184 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S596604 [0,1,0,0,0,0|2,0,1]=4 185 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S616583 [0,1,0,0,0,0|2,0,1]=4 186 B10R1.18 CC(C)NC1=NC=CC=C1 EME00318 [0,1,0,0,0,0|3,0,0]=4 187 B10R1.18 CC(N)CC1=CN=CC=C1 CBR01601 [0,1,0,0,0,0|1,0,0]=2 188 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [0,1,0,0,0,0|2,0,0]=3 189 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [0,1,0,0,0,0|2,0,0]=3 190 B10R1.18 CN(C)CC1=CC=CC=N1 S360821 [0,1,0,0,0,0|3,0,0]=4 191 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [0,1,0,0,0,0|1,0,0]=2 192 B10R1.18 C[N+](=CC1=CC=CC=C1)[O-] S387916 [0,1,0,0,0,0|2,0,1]=4 193 B10R1.18 NC(=O)CC1=CC=CC=N1 S561525 [0,1,0,0,0,0|1,0,1]=3 194 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 S501441 [0,1,0,0,0,0|1,0,1]=3 195 B10R1.18 O=C(Cl)SC1=CC=CC=C1 S561231 [0,1,0,0,0,0|2,0,1]=4 196 B10R1.18 O=C([O-])CC1=CN=CC=C1 S364703 [0,1,0,0,0,0|2,0,1]=4 197 B10R1.18 O=C([O-])C[N+]1=CC=CC=C1 S355224 [0,1,0,0,0,0|2,0,1]=4 198 B10R1.18 O=N(=O)CC1=CC=CC=C1 MNO000012 [0,1,0,0,0,0|2,0,0]=3 199 B10R2.7 C1=CC2=C(C=C1)SC=N2 R587656 [0,0,0,1,0,0|1,0,2]=4 200 B10R2.7 C1=CC2=C(C=C1)SCN2 S659142 [0,0,0,1,0,0|1,0,0]=2 201 B10R2.7 C1=CC2=C(C=C1)[Se]C=N2 S440051 [0,0,0,1,0,0|1,0,2]=4 202 B10R2.7 C1=CC2=C(C=CN2)C=N1 PH010447 [0,0,0,1,0,0|1,0,2]=4 203 B10R2.7 C1=CC2=C(C=N1)C=NN2 BLN00013 [0,0,0,1,0,0|2,0,1]=4 204 B10R2.7 C1=CC2=C(C=N1)NC=C2 CDS007514 [0,0,0,1,0,0|1,0,2]=4 205 B10R2.7 C1=CC2=C(C=N1)NN=C2 BLN00001 [0,0,0,1,0,0|2,0,1]=4 206 B10R2.7 C1=CC2=[N+](C=C1)CCO2 T161225 [0,0,0,1,0,0|2,0,0]=3 207 B10R2.7 C1=CN=C2C=CNC2=C1 ADE000968 [0,0,0,1,0,0|1,0,2]=4 208 B10R2.7 C1=CN=C2C=NNC2=C1 BLN00003 [0,0,0,1,0,0|2,0,1]=4 209 B10R2.7 [NH+]1=CSC2=C1C=CC=C2 R241989 [0,0,0,1,0,0|1,0,2]=4 210 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [0,0,0,1,0,0|1,0,1]=3 211 B8R1.8 BrCCN1C=CC=N1 CDS002854 [0,0,0,0,1,0|3,0,0]=4 212 B8R1.8 CCCN1C=CC=C1 PH010280 [0,0,0,0,1,0|2,0,0]=3 213 B8R1.8 CNCC1=CC=CS1 CDS004831 [0,0,0,0,1,0|3,0,0]=4 214 B8R1.8 CNCC1=CC=CS1 PH012021 [0,0,0,0,1,0|3,0,0]=4 215 B8R1.8 CNCC1=CSC=C1 PH015792 [0,0,0,0,1,0|3,0,0]=4 216 B8R1.8 ClCCC1=CNN=C1 CBR00809 [0,0,0,0,1,0|3,0,0]=4 217 B8R1.8 ClCCN1C=CC=N1 CDS015079 [0,0,0,0,1,0|3,0,0]=4 218 B8R1.8 N#CCC1=CC=CO1 JRD0290 [0,0,0,0,1,0|1,0,2]=4 219 B8R1.8 NCCC1=CC=CO1 CBR02448 [0,0,0,0,1,0|1,0,0]=2 220 B8R1.8 NCCN1C=CC=N1 CDS008012 [0,0,0,0,1,0|2,0,0]=3 221 B8R1.8 NNCC1=CC=CS1 CBR01534 [0,0,0,0,1,0|2,0,0]=3 222 B8R1.8 OCCN1C=CC=C1 CDS000018 [0,0,0,0,1,0|2,0,0]=3 223 B8R1.8 OCCN1C=CC=N1 CDS004224 [0,0,0,0,1,0|3,0,0]=4 224 B7R1.3 CC1=CC=NC=C1 T256412 [2,0,0,0,0,0|1,0,0]=3 225 B7R1.3 CC1=CC=NC=C1 T330418 [2,0,0,0,0,0|1,0,0]=3 226 B7R1.3 NC1=CC=CC=C1 S698326 [2,0,0,0,0,0|0,0,0]=2 227 B7R1.3 NC1=CC=CC=N1 S822329 [2,0,0,0,0,0|1,0,0]=3 228 B7R1.3 NC1=CC=NN=C1 CDS006078 [2,0,0,0,0,0|2,0,0]=4 229 B7R1.3 O=C1C=CC=CN1 T160121 [2,0,0,0,0,0|2,0,0]=4 230 B7R1.3 O=C1C=CNC=C1 T161470 [2,0,0,0,0,0|2,0,0]=4 231 B7R1.3 O=C1C=CSC=C1 T162035 [2,0,0,0,0,0|2,0,0]=4 232 B7R1.3 OC1=CC=NC=C1 CDS013613 [2,0,0,0,0,0|2,0,0]=4 233 B7R1.3 S=C1C=CSC=C1 S874310 [2,0,0,0,0,0|2,0,0]=4 234 B7R1.3 [O-]C1=CC=CC=C1 CDS001581 [2,0,0,0,0,0|1,0,0]=3 235 B7R1.3 [S-]C1=CC=CC=C1 S578991 [2,0,0,0,0,0|1,0,0]=3 236 B9R1.1 CC1=CC=C(C=C1)CS S369497 [1,1,0,0,0,0|1,0,0]=3 237 B9R1.1 CC1=CC=C(C=C1)S[TlH2] S828378 [1,1,0,0,0,0|2,0,0]=4 238 B9R1.1 CC1=CC=C(C=C1)[Hg]Cl S706736 [1,1,0,0,0,0|2,0,0]=4 239 B9R1.1 CC1=CC=C(N=C1)CN CDS009272 [1,1,0,0,0,0|1,0,0]=3 240 B9R1.1 CCC1=CC=[N+](C=C1)[O-] S869325 [1,1,0,0,0,0|1,0,0]=3 241 B9R1.1 CCC1=CN=C(N=C1)O CBR01415 [1,1,0,0,0,0|2,0,0]=4 242 B9R1.1 CNC1=CC=C(C=C1)N TMT00162 [1,1,0,0,0,0|1,0,0]=3 243 B9R1.1 CNC1=CC=C(C=C1)[O-] R580708 [1,1,0,0,0,0|1,0,0]=3 244 B9R1.1 COC1=CC=C(N=C1)Cl CDS005073 [1,1,0,0,0,0|2,0,0]=4 245 B9R1.1 COC1=CC=C(N=C1)N CDS022493 [1,1,0,0,0,0|2,0,0]=4 246 B9R1.1 COC1=CC=[N+](C=C1)C S523216 [1,1,0,0,0,0|2,0,0]=4 247 B9R1.1 COC1=CN=C(C=C1)I SYX00320 [1,1,0,0,0,0|2,0,0]=4 248 B9R1.1 CSC1=CC=C(C=C1)Cl S633658 [1,1,0,0,0,0|1,0,0]=3 249 B9R1.1 CSC1=CC=C(C=C1)N S418595 [1,1,0,0,0,0|1,0,0]=3 250 B9R1.1 CSC1=CC=C(N=C1)Br CBR00035 [1,1,0,0,0,0|2,0,0]=4 251 B9R1.1 NC1=NC=C(C=C1)CO MNO000168 [1,1,0,0,0,0|2,0,0]=4 252 B9R1.1 NCC1=CC=C(C=C1)F R750263 [1,1,0,0,0,0|0,0,0]=2 253 B9R1.1 NCC1=CC=C(C=C1)I CDS000797 [1,1,0,0,0,0|0,0,0]=2 254 B9R1.1 NCC1=NC=C(N=C1)Cl CDS021292 [1,1,0,0,0,0|2,0,0]=4 255 B9R1.1 [C-]#[N+]C1=CC=C(C=C1)F PH015011 [1,1,0,0,0,0|1,0,1]=4 256 B9R1.2 BrCC1=CC=CC(=N1)Br CDS022451 [1,1,0,0,0,0|2,0,0]=4 257 B9R1.2 C#CC1=CC(=CC=C1)Br CDS007533 [1,1,0,0,0,0|0,0,2]=4 258 B9R1.2 CC1=CC(=CC=C1)[IH2]=O T330566 [1,1,0,0,0,0|2,0,0]=4 259 B9R1.2 CC1=CC(=CC=N1)CO L499730 [1,1,0,0,0,0|2,0,0]=4 260 B9R1.2 CC1=CC=CC(=C1)CS PH011231 [1,1,0,0,0,0|1,0,0]=3 261 B9R1.2 CC1=CC=CC(=N1)CCl CBR01903 [1,1,0,0,0,0|2,0,0]=4 262 B9R1.2 CC1=CC=NC(=C1)CN CDS018220 [1,1,0,0,0,0|1,0,0]=3 263 B9R1.2 CC1=CC=NC(=N1)CN CBR01839 [1,1,0,0,0,0|2,0,0]=4 264 B9R1.2 CC1=NC(=CC=C1)CCl CDS021719 [1,1,0,0,0,0|2,0,0]=4 265 B9R1.2 CCC1=CC(=NC=C1)Br CDS011534 [1,1,0,0,0,0|1,0,0]=3 266 B9R1.2 CCC1=CC(=NC=C1)N CDS001263 [1,1,0,0,0,0|1,0,0]=3 267 B9R1.2 CCC1=CC=CC(=C1)Br CDS013673 [1,1,0,0,0,0|0,0,0]=2 268 B9R1.2 CCC1=NC(=CC=C1)C S580031 [1,1,0,0,0,0|1,0,0]=3 269 B9R1.2 CNC1=CC(=CC=C1)N S604097 [1,1,0,0,0,0|1,0,0]=3 270 B9R1.2 COC1=CC=CC(=C1)N CDS000467 [1,1,0,0,0,0|1,0,0]=3 271 B9R1.2 COC1=CC=CC(=N1)N ADE000359 [1,1,0,0,0,0|2,0,0]=4 272 B9R1.2 COC1=CN=CC(=C1)Cl ADE000444 [1,1,0,0,0,0|2,0,0]=4 273 B9R1.2 COC1=CN=CC(=C1)I ADE000373 [1,1,0,0,0,0|2,0,0]=4 274 B9R1.2 COC1=CN=CC(=C1)O ADE000384 [1,1,0,0,0,0|2,0,0]=4 275 B9R1.2 COC1=NC(=CC=C1)I ADE000332 [1,1,0,0,0,0|2,0,0]=4 276 B9R1.2 COC1=NC=CC(=C1)N ADE000354 [1,1,0,0,0,0|2,0,0]=4 277 B9R1.2 CSC1=CC=CC(=C1)O KOB0118 [1,1,0,0,0,0|1,0,0]=3 278 B9R1.2 ClCC1=CC(=CN=C1)I ADE000376 [1,1,0,0,0,0|2,0,0]=4 279 B9R1.2 N#CC1=CC=CC(=C1)N S679151 [1,1,0,0,0,0|0,0,2]=4 280 B9R1.2 NCC1=CC(=CC=C1)O CDS016848 [1,1,0,0,0,0|0,0,0]=2 281 B9R1.2 NCC1=CC(=NC=N1)O CBR02401 [1,1,0,0,0,0|2,0,0]=4 282 B9R1.2 NCC1=CC=CC(=N1)Br CDS015880 [1,1,0,0,0,0|1,0,0]=3 283 B9R1.2 NCC1=CN=CC(=C1)Br CDS005093 [1,1,0,0,0,0|1,0,0]=3 284 B9R1.2 NCC1=NC(=CC=C1)Br CDS009036 [1,1,0,0,0,0|1,0,0]=3 285 B9R1.2 NNC1=CC=CC(=N1)Cl SYX00272 [1,1,0,0,0,0|2,0,0]=4 286 B9R1.2 OCC1=CC(=CN=C1)Cl MNO000182 [1,1,0,0,0,0|2,0,0]=4 287 B9R1.2 OCC1=CC(=CN=C1)I ADE000375 [1,1,0,0,0,0|2,0,0]=4 288 B9R1.2 OCC1=CC=NC(=C1)F MNO000064 [1,1,0,0,0,0|2,0,0]=4 289 B9R1.2 OCC1=CN=CC(=C1)F CDS021735 [1,1,0,0,0,0|2,0,0]=4 290 B9R1.2 OCC1=NC(=CC=C1)I ADE000341 [1,1,0,0,0,0|2,0,0]=4 291 B9R1.2 OCC1=NC=CC(=C1)Cl ADE000344 [1,1,0,0,0,0|2,0,0]=4 292 B9R1.6 CC(Br)C1=NC=CC=C1 CDS022641 [1,1,0,0,0,0|1,0,0]=3 293 B9R1.6 CC(C)C1=CC=NC=C1 R751863 [1,1,0,0,0,0|1,0,0]=3 294 B9R1.6 CC(N)C1=CC=CN=C1 BOG00119 [1,1,0,0,0,0|1,0,0]=3 295 B9R1.6 CC(N)C1=CC=CN=C1 CDS005298 [1,1,0,0,0,0|1,0,0]=3 296 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [1,1,0,0,0,0|0,0,0]=2 297 B9R1.6 CN(N)C1=CC=CC=C1 S416320 [1,1,0,0,0,0|1,0,0]=3 298 B9R1.6 C[Te+](C)C1=CC=CC=C1 S14878 [1,1,0,0,0,0|1,0,0]=3 299 B9R1.6 Cl[C+](Cl)C1=CC=CC=C1 S449571 [1,1,0,0,0,0|1,0,1]=4 300 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [1,1,0,0,0,0|1,0,1]=4 301 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [1,1,0,0,0,0|2,0,0]=4 302 B9R1.15 C(=O)C1=C(C=CC=C1)[O-] S17079 [1,1,0,0,0,0|1,0,1]=4 303 B9R1.15 CC1=C(C=CC=C1)NN R580260 [1,1,0,0,0,0|1,0,0]=3 304 B9R1.15 CC1=C(C=CC=C1)[IH2]=O T330531 [1,1,0,0,0,0|2,0,0]=4 305 B9R1.15 CC1=C(N=CC=C1)CCl PH010818 [1,1,0,0,0,0|2,0,0]=4 306 B9R1.15 CC1=CC=CN=C1CN CDS004048 [1,1,0,0,0,0|1,0,0]=3 307 B9R1.15 CC1=CC=NC=C1CN CDS013951 [1,1,0,0,0,0|1,0,0]=3 308 B9R1.15 CC1=NC=CC=C1CBr MNO000159 [1,1,0,0,0,0|2,0,0]=4 309 B9R1.15 CC1=NC=CC=C1CCl CBR02441 [1,1,0,0,0,0|2,0,0]=4 310 B9R1.15 CCC1=NC=NC=C1Br CDS023071 [1,1,0,0,0,0|2,0,0]=4 311 B9R1.15 CCN1C=CC=CC1=O S683159 [1,1,0,0,0,0|1,0,0]=3 312 B9R1.15 CC[N+]1=C(C=CC=C1)Br S765686 [1,1,0,0,0,0|1,0,0]=3 313 B9R1.15 CC[N+]1=C(N=CC=C1)N S140686 [1,1,0,0,0,0|2,0,0]=4 314 B9R1.15 CC[N+]1=CC=CC=C1N S142549 [1,1,0,0,0,0|1,0,0]=3 315 B9R1.15 CNC1=C(C=CC=C1)F CDS000433 [1,1,0,0,0,0|1,0,0]=3 316 B9R1.15 CNC1=NC=CC=C1Cl T169315 [1,1,0,0,0,0|2,0,0]=4 317 B9R1.15 COC1=C(C=NC=C1)I ADE000651 [1,1,0,0,0,0|2,0,0]=4 318 B9R1.15 COC1=CC=CC=C1N CDS000192 [1,1,0,0,0,0|1,0,0]=3 319 B9R1.15 COC1=CC=NC=C1Br CDS007984 [1,1,0,0,0,0|2,0,0]=4 320 B9R1.15 COC1=NC=CC=C1N CDS002836 [1,1,0,0,0,0|2,0,0]=4 321 B9R1.15 ClC1=C(C=CC=N1)CBr CDS022464 [1,1,0,0,0,0|2,0,0]=4 322 B9R1.15 N#[N+]C1=C(C=CC=C1)Cl R288675 [1,1,0,0,0,0|1,0,1]=4 323 B9R1.15 NC1=C(C=CN=C1)CO ADE000287 [1,1,0,0,0,0|2,0,0]=4 324 B9R1.15 NC1=CC=NC=C1CO ADE000311 [1,1,0,0,0,0|2,0,0]=4 325 B9R1.15 NC1=NC=CC=C1CO ADE000265 [1,1,0,0,0,0|2,0,0]=4 326 B9R1.15 NCC1=C(C=CC=C1)O CDS008020 [1,1,0,0,0,0|0,0,0]=2 327 B9R1.15 NCC1=CC=CC=C1Br T151114 [1,1,0,0,0,0|0,0,0]=2 328 B9R1.15 OCC1=C(C=NC=C1)Cl MNO000070 [1,1,0,0,0,0|2,0,0]=4 329 B9R1.15 OCC1=C(C=NC=C1)F MNO000191 [1,1,0,0,0,0|2,0,0]=4 330 B9R1.15 OCC1=CC=CC=N1O S459240 [1,1,0,0,0,0|2,0,0]=4 331 B9R1.15 OCC1=CC=NC=C1Br MNO000077 [1,1,0,0,0,0|2,0,0]=4 332 B9R1.15 OCC1=NC=CC=C1O R578177 [1,1,0,0,0,0|2,0,0]=4 333 B9R1.7 CC1=CNC(=N1)CCN PH019292 [0,1,0,0,1,0|2,0,0]=4 334 B9R1.7 CC1=CSC(=N1)CCN OTV000992 [0,1,0,0,1,0|2,0,0]=4 335 B9R1.7 CCCC1=CC=C(O1)C L159743 [0,1,0,0,1,0|2,0,0]=4 336 B9R1.7 NCCN1C=C(C=N1)Cl CBR00104 [0,1,0,0,1,0|2,0,0]=4 337 B9R1.11 CCC(N)C1=CC=CS1 T326984 [0,1,0,0,1,0|2,0,0]=4 338 B9R1.11 OC[C@H](O)C1=COC=C1 T279072 [0,1,0,0,1,0|2,0,0]=4 339 B9R1.12 CCCCC1=CC=CO1 CDS001204 [0,1,0,0,1,0|2,0,0]=4 340 B9R1.12 CCCCC1=CC=CS1 CDS001487 [0,1,0,0,1,0|2,0,0]=4 341 B9R1.12 CNCCN1C=CN=C1 CBR02318 [0,1,0,0,1,0|2,0,0]=4 342 B9R1.12 N#CCCC1=CC=CO1 T208493 [0,1,0,0,1,0|1,0,1]=4 343 B9R1.12 N#CCCC1=CC=CS1 PH001287 [0,1,0,0,1,0|1,0,1]=4 344 B9R1.12 NCCCC1=CC=CO1 CBR00236 [0,1,0,0,1,0|1,0,0]=3 345 B9R1.12 NCCCC1=CNN=C1 CDS001685 [0,1,0,0,1,0|2,0,0]=4 346 B9R1.12 NCCCN1C=CC=C1 CDS020841 [0,1,0,0,1,0|1,0,0]=3 347 B9R1.13 CC(N)CC1=NC=CS1 CDS011820 [0,1,0,0,1,0|2,0,0]=4 348 B9R1.13 CC(O)CC1=CC=CS1 S365017 [0,1,0,0,1,0|2,0,0]=4 349 B9R1.13 NC(=O)CC1=CC=CS1 S90671 [0,1,0,0,1,0|1,0,1]=4 350 B9R1.33 CC1=C(NC=N1)CCN CDS023154 [0,1,0,0,1,0|2,0,0]=4 351 B9R1.33 CC1=C(SC=C1)CCN CBR01050 [0,1,0,0,1,0|1,0,0]=3 352 B9R1.33 CC1=C(SC=N1)CCN CBR00609 [0,1,0,0,1,0|2,0,0]=4 353 B9R1.33 CC1=CC=NN1CCN CDS009661 [0,1,0,0,1,0|2,0,0]=4 354 B9R1.33 CN1C=CC=C1CCN CBR01483 [0,1,0,0,1,0|1,0,0]=3 355 B9R1.33 CN1C=CN=C1CCN CBR02384 [0,1,0,0,1,0|2,0,0]=4 356 B11R1.1 BrCCOC1=CC=C(C=C1)Br S463000 [0,2,0,0,0,0|1,0,0]=3 357 B11R1.1 C#CCOC1=CC=C(C=C1)F CDS024010 [0,2,0,0,0,0|1,0,1]=4 358 B11R1.1 C#CCSC1=CC=C(C=C1)Br CDS024016 [0,2,0,0,0,0|1,0,1]=4 359 B11R1.1 C=CCOC1=CC=C(C=C1)C S433047 [0,2,0,0,0,0|1,0,1]=4 360 B11R1.1 C=CCSC1=CC=C(C=C1)Br S767891 [0,2,0,0,0,0|1,0,1]=4 361 B11R1.1 C=CCSC1=CC=C(C=C1)C S648388 [0,2,0,0,0,0|1,0,1]=4 362 B11R1.1 CC1=CC=C(C=C1)CCNN PH018986 [0,2,0,0,0,0|0,0,0]=2 363 B11R1.1 CC1=CC=C(C=C1)OCC#N S114081 [0,2,0,0,0,0|0,0,2]=4 364 B11R1.1 CC1=CC=C(C=C1)OCCBr PH000131 [0,2,0,0,0,0|1,0,0]=3 365 B11R1.1 CC1=CC=C(C=C1)OCCN OTV000145 [0,2,0,0,0,0|0,0,0]=2 366 B11R1.1 CC1=CC=C(C=C1)SCCO S550264 [0,2,0,0,0,0|1,0,0]=3 367 B11R1.1 CCCCC1=CC=C(C=C1)Cl TMT00677 [0,2,0,0,0,0|1,0,0]=3 368 B11R1.1 CCCCC1=CC=C(C=C1)O CDS001507 [0,2,0,0,0,0|1,0,0]=3 369 B11R1.1 CCCSC1=CC=C(C=C1)C S832839 [0,2,0,0,0,0|1,0,0]=3 370 B11R1.1 CCCSC1=CC=C(C=C1)N CBR01435 [0,2,0,0,0,0|1,0,0]=3 371 B11R1.1 CCNCC1=CC=C(C=C1)Cl PH011023 [0,2,0,0,0,0|1,0,0]=3 372 B11R1.1 CSCSC1=CC=C(C=C1)C S592749 [0,2,0,0,0,0|2,0,0]=4 373 B11R1.1 ClCCSC1=CC=C(C=C1)Cl S614041 [0,2,0,0,0,0|1,0,0]=3 374 B11R1.1 N#CCCC1=CC=C(C=C1)O PH011727 [0,2,0,0,0,0|0,0,1]=3 375 B11R1.1 N#CCNC1=CC=C(C=C1)O S136581 [0,2,0,0,0,0|0,0,2]=4 376 B11R1.1 N#CCNC1=CC=C(C=C1)O S245933 [0,2,0,0,0,0|0,0,2]=4 377 B11R1.1 N#CCNC1=CC=C(C=C1)O S281433 [0,2,0,0,0,0|0,0,2]=4 378 B11R1.1 N#CCOC1=CC=C(C=C1)Br VBP00033 [0,2,0,0,0,0|0,0,2]=4 379 B11R1.1 N#CCSC1=CC=C(C=C1)Cl EME00140 [0,2,0,0,0,0|0,0,2]=4 380 B11R1.1 N#CSCC1=CC=C(C=C1)Br L308307 [0,2,0,0,0,0|0,0,2]=4 381 B11R1.1 NC1=CC=C(C=C1)NCCO TMT00030 [0,2,0,0,0,0|1,0,0]=3 382 B11R1.1 NCCCC1=CC=C(C=C1)F CDS009095 [0,2,0,0,0,0|0,0,0]=2 383 B11R1.1 NCCOC1=CC=C(C=C1)F CBR00598 [0,2,0,0,0,0|0,0,0]=2 384 B11R1.1 NCCOC1=CC=C(C=C1)O PH008478 [0,2,0,0,0,0|0,0,0]=2 385 B11R1.1 NCCSC1=CC=C(C=C1)Cl L308153 [0,2,0,0,0,0|0,0,0]=2 386 B11R1.1 NNCCC1=CC=C(C=C1)F PH019072 [0,2,0,0,0,0|0,0,0]=2 387 B11R1.1 O=CCCC1=CC=C(C=C1)F CDS022638 [0,2,0,0,0,0|1,0,0]=3 388 B11R1.1 O=CCCC1=CC=C(C=C1)O CDS022892 [0,2,0,0,0,0|1,0,0]=3 389 B11R1.1 OCCCC1=CC=C(C=C1)Cl CDS003137 [0,2,0,0,0,0|1,0,0]=3 390 B11R1.1 OCCOC1=CC=C(C=C1)Cl S359610 [0,2,0,0,0,0|1,0,0]=3 391 B11R1.1 OCCSC1=CC=C(C=C1)Cl L308781 [0,2,0,0,0,0|1,0,0]=3 392 B11R1.1 [C-]#[N+]CCC1=CC=C(C=C1)F PH015031 [0,2,0,0,0,0|0,0,1]=3 393 B11R1.20 C=C(C)CC1=CC=C(C=C1)O PH007153 [0,2,0,0,0,0|1,0,1]=4 394 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl CDS004628 [0,2,0,0,0,0|1,0,1]=4 395 B11R1.20 CC(=O)CC1=CC=C(C=C1)O PH011294 [0,2,0,0,0,0|1,0,1]=4 396 B11R1.20 CC(C)OC1=CC=C(C=C1)Br S671118 [0,2,0,0,0,0|2,0,0]=4 397 B11R1.20 CC(C)OC1=CC=C(C=C1)N CDS002559 [0,2,0,0,0,0|2,0,0]=4 398 B11R1.20 CC(C)OC1=CC=C(C=C1)N PH011325 [0,2,0,0,0,0|2,0,0]=4 399 B11R1.20 CC(C)SC1=CC=C(C=C1)Cl PH000601 [0,2,0,0,0,0|2,0,0]=4 400 B11R1.20 CC1=CC=C(C=C1)CC(=O)Cl CDS008580 [0,2,0,0,0,0|1,0,1]=4 401 B11R1.20 CC1=CC=C(C=C1)CC(=O)N S536768 [0,2,0,0,0,0|0,0,1]=3 402 B11R1.20 CC1=CC=C(C=C1)NC(=N)N S614556 [0,2,0,0,0,0|1,0,1]=4 403 B11R1.20 CC1=CC=C(C=C1)NC(=N)N S862371 [0,2,0,0,0,0|1,0,1]=4 404 B11R1.20 CC1=CC=C(C=C1)NC(=O)N S365149 [0,2,0,0,0,0|1,0,1]=4 405 B11R1.20 CC1=CC=C(C=C1)NC(=S)N R612898 [0,2,0,0,0,0|1,0,1]=4 406 B11R1.20 CC1=CC=[N+](C=C1)CC(=O)N S242551 [0,2,0,0,0,0|1,0,1]=4 407 B11R1.20 CN(C)CC1=CC=C(C=C1)Br PH012027 [0,2,0,0,0,0|2,0,0]=4 408 B11R1.20 N=C(N)NC1=CC=C(C=C1)F S614564 [0,2,0,0,0,0|1,0,1]=4 409 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl CDS011494 [0,2,0,0,0,0|0,0,1]=3 410 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl S441228 [0,2,0,0,0,0|1,0,1]=4 411 B11R1.20 NC(=O)NC1=CC=C(C=C1)F S601527 [0,2,0,0,0,0|1,0,1]=4 412 B11R1.20 NC(=S)CC1=CC=C(C=C1)Cl PH011776 [0,2,0,0,0,0|0,0,1]=3 413 B11R1.20 NC(=S)NC1=CC=C(C=C1)Br PH010901 [0,2,0,0,0,0|1,0,1]=4 414 B11R1.20 NC(=S)NC1=CC=C(C=C1)Cl PH010858 [0,2,0,0,0,0|1,0,1]=4 415 B11R1.20 NC1=CC=C(C=C1)CC(=S)O R466522 [0,2,0,0,0,0|1,0,1]=4 416 B11R1.22 BrCC(Br)C1=CC=C(C=C1)Br S568422 [0,2,0,0,0,0|1,0,0]=3 417 B11R1.22 C=CC(O)C1=CC=C(C=C1)Cl PH007653 [0,2,0,0,0,0|1,0,1]=4 418 B11R1.22 CC1=CC=C(C=C1)/C(=N/N)/C S323020 [0,2,0,0,0,0|1,0,1]=4 419 B11R1.22 CC1=CC=C(C=C1)S(=O)NN R279870 [0,2,0,0,0,0|2,0,0]=4 420 B11R1.22 CCC(=O)C1=CC=C(C=C1)N PH006875 [0,2,0,0,0,0|1,0,1]=4 421 B11R1.22 CCC(Cl)C1=CC=C(C=C1)C S722235 [0,2,0,0,0,0|1,0,0]=3 422 B11R1.22 CCC(N)C1=CC=C(C=C1)C CBR02307 [0,2,0,0,0,0|1,0,0]=3 423 B11R1.22 CCC(N)C1=CC=C(C=C1)F CDS005688 [0,2,0,0,0,0|1,0,0]=3 424 B11R1.22 CCC(N)C1=CC=C(C=C1)O CBR00896 [0,2,0,0,0,0|1,0,0]=3 425 B11R1.22 CCC(O)C1=CC=C(C=C1)Br S434892 [0,2,0,0,0,0|1,0,0]=3 426 B11R1.22 CCC(O)C1=CC=C(C=C1)Cl S434884 [0,2,0,0,0,0|1,0,0]=3 427 B11R1.22 CCC(O)C1=CC=C(C=C1)F S434876 [0,2,0,0,0,0|1,0,0]=3 428 B11R1.22 CC[C@@H](O)C1=CC=C(C=C1)Cl PH018690 [0,2,0,0,0,0|1,0,0]=3 429 B11R1.22 CC[C@H](O)C1=CC=C(C=C1)Cl PH018691 [0,2,0,0,0,0|1,0,0]=3 430 B11R1.22 CNC(C)C1=CC=C(C=C1)Cl CBR02474 [0,2,0,0,0,0|2,0,0]=4 431 B11R1.22 N#CC(O)C1=CC=C(C=C1)O PH015025 [0,2,0,0,0,0|0,0,2]=4 432 B11R1.22 NC(CF)C1=CC=C(C=C1)F CVT00026 [0,2,0,0,0,0|1,0,0]=3 433 B11R1.22 NC(CO)C1=CC=C(C=C1)Br CDS023854 [0,2,0,0,0,0|1,0,0]=3 434 B11R1.22 NCC(=O)C1=CC=C(C=C1)Cl S138916 [0,2,0,0,0,0|0,0,1]=3 435 B11R1.22 NCC(=O)C1=CC=C(C=C1)F CDS003453 [0,2,0,0,0,0|0,0,1]=3 436 B11R1.22 O=C(CBr)C1=CC=C(C=C1)O CDS013566 [0,2,0,0,0,0|1,0,1]=4 437 B11R1.22 O=C(CCl)C1=CC=C(C=C1)Br S852406 [0,2,0,0,0,0|1,0,1]=4 438 B11R1.22 O=C(CCl)C1=CC=C(C=C1)O S313750 [0,2,0,0,0,0|1,0,1]=4 439 B11R1.81 CC1=CC(=C(C=C1)CC=O)C PH015341 [0,2,0,0,0,0|1,0,1]=4 440 B11R1.81 CCOC1=C(C=C(C=C1)N)Cl CBR01472 [0,2,0,0,0,0|2,0,0]=4 441 B11R1.81 CCOC1=CC=C(C=C1N)N S454931 [0,2,0,0,0,0|2,0,0]=4 442 B11R1.81 NCCC1=CC=C(C=C1F)Cl CDS022235 [0,2,0,0,0,0|0,0,0]=2 443 B11R1.81 NCCC1=CC=C(C=C1F)F L300241 [0,2,0,0,0,0|0,0,0]=2 444 B11R1.83 C#CC1=CC=C(C=C1)CCC CDS004646 [0,2,0,0,0,0|1,0,0]=3 445 B11R1.83 CCC1=CC=C(C=C1)CC#N PH014677 [0,2,0,0,0,0|0,0,2]=4 446 B11R1.83 CCC1=CC=C(C=C1)CNC CDS016027 [0,2,0,0,0,0|2,0,0]=4 447 B11R1.83 CCC1=CN=C(C=C1)CCO CDS000406 [0,2,0,0,0,0|2,0,0]=4 448 B11R1.83 CCNC1=CC=C(C=C1)OC PH010476 [0,2,0,0,0,0|2,0,0]=4 449 B11R1.83 CCOC1=CC=C(C=C1)CN CDS003326 [0,2,0,0,0,0|2,0,0]=4 450 B11R1.83 CNCC1=CC=C(C=C1)OC CDS003884 [0,2,0,0,0,0|2,0,0]=4 451 B11R1.83 COC1=CC=C(C=C1)CON CDS015332 [0,2,0,0,0,0|1,0,0]=3 452 B11R1.83 COC1=CC=C(C=C1)CSC S698008 [0,2,0,0,0,0|2,0,0]=4 453 B11R1.83 COCC1=CC=C(C=C1)OC S866288 [0,2,0,0,0,0|2,0,0]=4 454 B11R1.83 CSC1=CC=C(C=C1)CNN PH018710 [0,2,0,0,0,0|1,0,0]=3 455 B11R1.83 N#CC1=CC=C(C=C1)CCBr CDS023693 [0,2,0,0,0,0|1,0,0]=3 456 B11R1.83 N#CC1=CC=C(C=C1)CCO CDS014190 [0,2,0,0,0,0|1,0,0]=3 457 B11R1.83 [C-]#[N+]CC1=CC=C(C=C1)OC PH014520 [0,2,0,0,0,0|2,0,0]=4 458 B11R1.192 CC1=CC=C(C=C1C)CCN CDS003135 [0,2,0,0,0,0|0,0,0]=2 459 B11R1.192 CC1=CC=C(C=C1C)CON PH013762 [0,2,0,0,0,0|1,0,0]=3 460 B11R1.192 CCCC1=CC=C(C(=C1)N)O R703311 [0,2,0,0,0,0|1,0,0]=3 461 B11R1.192 CCC[N+]1=CC=C(C(=C1)C)C S635464 [0,2,0,0,0,0|2,0,0]=4 462 B11R1.192 CCOC1=CC=C(C(=C1)N)Cl PH004977 [0,2,0,0,0,0|2,0,0]=4 463 B11R1.192 CCOC1=CC=C(C(=C1)N)N CDS007491 [0,2,0,0,0,0|2,0,0]=4 464 B11R1.192 CNCC1=CC(=C(C=C1)Cl)Cl PH010199 [0,2,0,0,0,0|2,0,0]=4 465 B11R1.192 N#CCC1=CC(=C(C=C1)O)O PH005053 [0,2,0,0,0,0|0,0,2]=4 466 B11R1.192 OCCC1=CC(=C(C=C1)F)Cl CDS022215 [0,2,0,0,0,0|1,0,0]=3 467 B11R1.192 OCCC1=CC=C(C(=C1)Br)O S739227 [0,2,0,0,0,0|1,0,0]=3 468 B11R1.13 CC1=CC=CN(C1=O)CCN PH017777 [0,2,0,0,0,0|1,0,0]=3 469 B11R1.13 CCCC1=C(C(=CC=C1)C)O S405507 [0,2,0,0,0,0|1,0,0]=3 470 B11R1.13 NCCC1=CC=CC(=C1Cl)Cl L300195 [0,2,0,0,0,0|0,0,0]=2 471 B11R1.13 OCCC1=CC=CC(=C1F)Cl CDS022327 [0,2,0,0,0,0|1,0,0]=3 472 B11R1.17 C/C=C/CC1=CC=CC=C1O PH015920 [0,2,0,0,0,0|1,0,1]=4 473 B11R1.17 C=CCNC1=CC=CC=C1C S432768 [0,2,0,0,0,0|1,0,1]=4 474 B11R1.17 C=CCOC1=CC=CC=C1C S432911 [0,2,0,0,0,0|1,0,1]=4 475 B11R1.17 C=CCOC1=CC=CC=C1Cl S544744 [0,2,0,0,0,0|1,0,1]=4 476 B11R1.17 C=CCSC1=CC=CC=C1N PH000451 [0,2,0,0,0,0|1,0,1]=4 477 B11R1.17 CC1=C(C=CC=C1)NCC#N PH010275 [0,2,0,0,0,0|0,0,2]=4 478 B11R1.17 CC1=C(C=CC=C1)NCCN PH010276 [0,2,0,0,0,0|0,0,0]=2 479 B11R1.17 CC1=C(C=CC=C1)OCC#N S84612 [0,2,0,0,0,0|0,0,2]=4 480 B11R1.17 CC1=C(C=CC=C1)OCCN R414298 [0,2,0,0,0,0|0,0,0]=2 481 B11R1.17 CC1=C(N=CC=C1)NCCN CBR01323 [0,2,0,0,0,0|1,0,0]=3 482 B11R1.17 CC1=CC=CC=C1OCCN OTV000147 [0,2,0,0,0,0|0,0,0]=2 483 B11R1.17 CCCCC1=C(C=CC=C1)N CDS000462 [0,2,0,0,0,0|1,0,0]=3 484 B11R1.17 CCCOC1=CC=CC=C1N CDS014846 [0,2,0,0,0,0|1,0,0]=3 485 B11R1.17 CCCOC1=CC=CN=C1N OTV000742 [0,2,0,0,0,0|2,0,0]=4 486 B11R1.17 CCCSC1=CC=CC=C1N PH000487 [0,2,0,0,0,0|1,0,0]=3 487 B11R1.17 COCCC1=CC=CC=C1Br S809608 [0,2,0,0,0,0|1,0,0]=3 488 B11R1.17 COCOC1=CC=CC=C1Br CBR01868 [0,2,0,0,0,0|2,0,0]=4 489 B11R1.17 N#CCCN1C=CC=CC1=O PH010422 [0,2,0,0,0,0|1,0,1]=4 490 B11R1.17 NC1=C(C=CN=C1)OCCO ADE000692 [0,2,0,0,0,0|2,0,0]=4 491 B11R1.17 NC1=CC=CN=C1OCCO ADE000693 [0,2,0,0,0,0|2,0,0]=4 492 B11R1.17 NC1=NC=CC=C1CCCO ADE000774 [0,2,0,0,0,0|2,0,0]=4 493 B11R1.17 NCCCC1=C(C=CC=C1)F CBR02360 [0,2,0,0,0,0|0,0,0]=2 494 B11R1.17 NCCCN1C=CC=CC1=O CBR01559 [0,2,0,0,0,0|1,0,0]=3 495 B11R1.17 NCCOC1=C(C=CC=C1)Cl R414425 [0,2,0,0,0,0|0,0,0]=2 496 B11R1.17 NCCOC1=CC=CC=C1F CBR00831 [0,2,0,0,0,0|0,0,0]=2 497 B11R1.17 OCCCC1=C(C=CN=C1)O ADE000771 [0,2,0,0,0,0|2,0,0]=4 498 B11R1.17 OCCOC1=NC=CC=C1O ADE000107 [0,2,0,0,0,0|2,0,0]=4 499 B11R1.41 BrCCC1=CC=CC=C1CBr S809802 [0,2,0,0,0,0|1,0,0]=3 500 B11R1.41 CCC1=CC=CC=C1CCN PH016764 [0,2,0,0,0,0|0,0,0]=2 501 B11R1.41 CCC1=CC=CC=C1CCO T175994 [0,2,0,0,0,0|1,0,0]=3 502 B11R1.41 COC1=CC=CC=C1CSC S697931 [0,2,0,0,0,0|2,0,0]=4 503 B11R1.41 COCC1=CC=CC=C1CN CDS002378 [0,2,0,0,0,0|2,0,0]=4 504 B11R1.41 CSC1=CC=CC=C1CC#N PH002491 [0,2,0,0,0,0|0,0,2]=4 505 B11R1.41 O=CC1=C(C=CC=C1)CCBr PH009837 [0,2,0,0,0,0|1,0,0]=3 506 B11R1.86 CC(=O)CC1=CC=CC=C1Br CDS003545 [0,2,0,0,0,0|1,0,1]=4 507 B11R1.86 CC(C)OC1=CC=CC=C1N CDS002647 [0,2,0,0,0,0|2,0,0]=4 508 B11R1.86 CC(C)SC1=CC=CC=C1N CBR00953 [0,2,0,0,0,0|2,0,0]=4 509 B11R1.86 CC(C)SC1=CC=CC=C1N PH010950 [0,2,0,0,0,0|2,0,0]=4 510 B11R1.86 CC1=C(C=CC=C1)CC(=O)Cl PH014881 [0,2,0,0,0,0|1,0,1]=4 511 B11R1.86 CC1=C(C=CC=C1)CN(C)C T333018 [0,2,0,0,0,0|2,0,0]=4 512 B11R1.86 CC1=CC=CC=C1NC(=O)N S435643 [0,2,0,0,0,0|1,0,1]=4 513 B11R1.86 CN(C)CC1=CC=CC=C1O CDS000342 [0,2,0,0,0,0|2,0,0]=4 514 B11R1.86 CN(N)CC1=CC=CC=C1Cl PH001191 [0,2,0,0,0,0|1,0,0]=3 515 B11R1.86 N=C(N)CC1=C(C=CC=C1)Cl PH015478 [0,2,0,0,0,0|0,0,1]=3 516 B11R1.86 NC(=O)CC1=CC=CC=C1Br CDS005049 [0,2,0,0,0,0|0,0,1]=3 517 B11R1.86 NC(=O)CC1=CC=CC=C1Cl CDS011434 [0,2,0,0,0,0|0,0,1]=3 518 B11R1.86 NC(=O)CC1=CC=CC=C1N CDS012270 [0,2,0,0,0,0|0,0,1]=3 519 B11R1.86 NC(=O)CC1=CC=CC=C1O S668982 [0,2,0,0,0,0|0,0,1]=3 520 B11R1.86 NC(=O)NC1=C(C=CC=C1)Br PH011364 [0,2,0,0,0,0|1,0,1]=4 521 B11R1.86 NC(=O)NC1=CC=CC=C1Cl PH009853 [0,2,0,0,0,0|1,0,1]=4 522 B11R1.86 NC(=O)NC1=CC=CC=C1F S730572 [0,2,0,0,0,0|1,0,1]=4 523 B11R1.86 NC(=O)OC1=CC=CC=C1Cl PH009081 [0,2,0,0,0,0|1,0,1]=4 524 B11R1.86 NC1=C(C=CC=C1)CC(=O)O CDS003084 [0,2,0,0,0,0|1,0,1]=4 525 B11R1.182 C=CCC1=CC(=CC=C1O)C S35298 [0,2,0,0,0,0|1,0,1]=4 526 B11R1.182 CC1=C(C=C(C=C1)F)CC#N PH011498 [0,2,0,0,0,0|0,0,2]=4 527 B11R1.182 CC1=CC(=C(C=C1)C)CC=O PH015094 [0,2,0,0,0,0|1,0,1]=4 528 B11R1.182 CC1=CC=C(C(=C1)CCN)O PH019198 [0,2,0,0,0,0|0,0,0]=2 529 B11R1.182 CC1=CC=C(C(=C1)CCO)C S347248 [0,2,0,0,0,0|1,0,0]=3 530 B11R1.182 CNCC1=CC(=CC=C1Cl)Cl PH016788 [0,2,0,0,0,0|2,0,0]=4 531 B11R1.182 CNCC1=CC(=CC=C1O)F CDS021392 [0,2,0,0,0,0|2,0,0]=4 532 B11R1.182 N#CCC1=CC(=CC=C1Cl)Cl R594105 [0,2,0,0,0,0|0,0,2]=4 533 B11R1.182 NCCC1=CC(=CC=C1F)F L300276 [0,2,0,0,0,0|0,0,0]=2 534 B11R1.182 NCCC1=CC(=CC=C1N)Cl PH018969 [0,2,0,0,0,0|0,0,0]=2 535 B11R1.182 NCCC1=CC(=CC=C1O)Cl PH019172 [0,2,0,0,0,0|0,0,0]=2 536 B11R1.182 NCCN1NC(=O)C=CC1=O CBR00788 [0,2,0,0,0,0|2,0,0]=4 537 B11R1.222 CC1=C(C=CC=C1)C(=O)NN R435198 [0,2,0,0,0,0|1,0,1]=4 538 B11R1.222 CC1=C(C=CC=C1)C(=O)NN S618985 [0,2,0,0,0,0|1,0,1]=4 539 B11R1.222 CCN(N)C1=CC=CC=C1C PH012201 [0,2,0,0,0,0|2,0,0]=4 540 B11R1.222 CC[C@H](O)C1=CC=CC=C1F PH018898 [0,2,0,0,0,0|1,0,0]=3 541 B11R1.222 NCC(O)C1=CC=CC=C1Br CDS009497 [0,2,0,0,0,0|0,0,0]=2 542 B11R1.222 NNC(=O)C1=CC=CC=C1Br S945048 [0,2,0,0,0,0|1,0,1]=4 543 B11R1.222 NNC(=O)C1=CC=CC=C1I S550361 [0,2,0,0,0,0|1,0,1]=4 544 B11R1.605 CCOC1=C(C=CC=C1N)N S767417 [0,2,0,0,0,0|2,0,0]=4 545 B11R1.605 NC1=CC=CC(=C1CCO)Cl PH014566 [0,2,0,0,0,0|1,0,0]=3 546 B11R1.605 NCCC1=C(C=CC=C1F)F T151203 [0,2,0,0,0,0|0,0,0]=2 547 B11R1.605 NNCC1=C(C=CC=C1Cl)Cl S761540 [0,2,0,0,0,0|1,0,0]=3 548 B11R1.605 OCCC1=C(C=CC=C1Cl)Cl PH011763 [0,2,0,0,0,0|1,0,0]=3 549 B11R1.23 CC1=CC(=CC=C1)C(=O)NN PH011383 [0,2,0,0,0,0|1,0,1]=4 550 B11R1.23 CCC(=O)C1=CC=CC(=C1)C PH014761 [0,2,0,0,0,0|1,0,1]=4 551 B11R1.23 CCC(=O)C1=CC=CC(=C1)N PH011160 [0,2,0,0,0,0|1,0,1]=4 552 B11R1.23 CCC(=O)C1=CC=CC(=C1)O PH010905 [0,2,0,0,0,0|1,0,1]=4 553 B11R1.23 CCC(O)C1=NC(=CC=C1)N PH018486 [0,2,0,0,0,0|2,0,0]=4 554 B11R1.23 CC[C@@H](O)C1=CC(=CC=C1)F PH018824 [0,2,0,0,0,0|1,0,0]=3 555 B11R1.23 CC[C@H](O)C1=CC(=CC=C1)F PH018897 [0,2,0,0,0,0|1,0,0]=3 556 B11R1.23 NC(CF)C1=CC(=CC=C1)Br CVT00033 [0,2,0,0,0,0|1,0,0]=3 557 B11R1.23 NNC(=O)C1=CC=CC(=C1)Cl PH009753 [0,2,0,0,0,0|1,0,1]=4 558 B11R1.23 OC1=CC=CC(=C1)C(CN)O TMT00167 [0,2,0,0,0,0|0,0,0]=2 559 B11R1.24 C#CCOC1=CC(=CC=C1)Br CDS023209 [0,2,0,0,0,0|1,0,1]=4 560 B11R1.24 CC1=CC(=CC=C1)CCCN CBR00042 [0,2,0,0,0,0|0,0,0]=2 561 B11R1.24 CC1=CC(=CC=C1)CSC#N S411485 [0,2,0,0,0,0|0,0,2]=4 562 B11R1.24 CC1=CC(=CC=C1)OCC#N OTV000130 [0,2,0,0,0,0|0,0,2]=4 563 B11R1.24 CC1=CC(=CC=C1)OCCBr PH000370 [0,2,0,0,0,0|1,0,0]=3 564 B11R1.24 CC1=CC(=CC=C1)OCCO S538558 [0,2,0,0,0,0|1,0,0]=3 565 B11R1.24 CC1=CC(=NC=C1)NCCN PH015402 [0,2,0,0,0,0|1,0,0]=3 566 B11R1.24 CC1=CC=CC(=C1)CCNN PH019073 [0,2,0,0,0,0|0,0,0]=2 567 B11R1.24 CC1=CC=CC(=C1)CN=[N+]=[N-] CDS015331 [0,2,0,0,0,0|1,0,1]=4 568 B11R1.24 CC1=CC=CC(=C1)OCCN R414271 [0,2,0,0,0,0|0,0,0]=2 569 B11R1.24 CCCOC1=CC=CC(=C1)N CDS001846 [0,2,0,0,0,0|1,0,0]=3 570 B11R1.24 COCCC1=CC=CC(=N1)C S369543 [0,2,0,0,0,0|2,0,0]=4 571 B11R1.24 ClC1=CC(=CC=C1)CCCBr PH011322 [0,2,0,0,0,0|1,0,0]=3 572 B11R1.24 N#CCCC1=CC(=CC=C1)Br CDS003023 [0,2,0,0,0,0|0,0,1]=3 573 B11R1.24 NC1=CC=CC(=C1)OCCO CBR00211 [0,2,0,0,0,0|1,0,0]=3 574 B11R1.24 NNCCC1=CC(=CC=C1)F PH019005 [0,2,0,0,0,0|0,0,0]=2 575 B11R1.24 OCCCC1=CC=CC(=C1)Cl PH002730 [0,2,0,0,0,0|1,0,0]=3 576 B11R1.24 OCCNC1=NC(=CC=C1)F CDS021253 [0,2,0,0,0,0|2,0,0]=4 577 B11R1.24 OCCOC1=CC=CC(=C1)O CDS003378 [0,2,0,0,0,0|1,0,0]=3 578 B11R1.34 CC1=CC(=CC(=C1)CNN)C PH019430 [0,2,0,0,0,0|1,0,0]=3 579 B11R1.34 CC1=CC(=NC(=N1)CCN)C CBR01445 [0,2,0,0,0,0|2,0,0]=4 580 B11R1.34 CC1=CC(=NC(=N1)CCN)C PH019207 [0,2,0,0,0,0|2,0,0]=4 581 B11R1.34 CC1=CC(=NC(=N1)CCN)O CBR01353 [0,2,0,0,0,0|2,0,0]=4 582 B11R1.34 CC1=CC(=NC(=N1)CCN)O PH019253 [0,2,0,0,0,0|2,0,0]=4 583 B11R1.34 CCOC1=CC(=CC(=C1)C)C S798266 [0,2,0,0,0,0|2,0,0]=4 584 B11R1.34 N#CCC1=CC(=CC(=C1)Cl)Cl OTV000840 [0,2,0,0,0,0|0,0,2]=4 585 B11R1.34 NCCC1=NC(=CC(=N1)N)O CBR01569 [0,2,0,0,0,0|2,0,0]=4 586 B11R1.34 NCCC1=NC(=CC(=N1)N)O PH019254 [0,2,0,0,0,0|2,0,0]=4 587 B11R1.34 NCCC1=NC(=CC(=N1)O)O PH019252 [0,2,0,0,0,0|2,0,0]=4 588 B11R1.157 CC(=O)CC1=CC(=CC=C1)C CDS017452 [0,2,0,0,0,0|1,0,1]=4 589 B11R1.157 CC(N)CC1=CC=CC(=C1)Br CDS022739 [0,2,0,0,0,0|0,0,0]=2 590 B11R1.157 CC1=CC(=CC=C1)NC(=O)N S410233 [0,2,0,0,0,0|1,0,1]=4 591 B11R1.157 CC1=CC(=CC=C1)NC(C)C S657476 [0,2,0,0,0,0|2,0,0]=4 592 B11R1.157 CC1=CC(=NC=C1)CC(C)O PH015436 [0,2,0,0,0,0|2,0,0]=4 593 B11R1.157 CC1=CC=CC(=N1)CC(C)O PH015426 [0,2,0,0,0,0|2,0,0]=4 594 B11R1.157 CN(N)CC1=CC=CC(=C1)Cl PH007608 [0,2,0,0,0,0|1,0,0]=3 595 B11R1.157 FC1=CC=CC(=C1)OC(F)F MNO000146 [0,2,0,0,0,0|2,0,0]=4 596 B11R1.157 NC(=O)C[N+]1=CC=CC(=C1)F S914169 [0,2,0,0,0,0|1,0,1]=4 597 B11R1.157 NC(=O)NC1=CC(=CC=C1)I PH010485 [0,2,0,0,0,0|1,0,1]=4 598 B11R1.157 NC(=O)NC1=CC=CC(=C1)Cl S576476 [0,2,0,0,0,0|1,0,1]=4 599 B11R1.157 NC(=S)NC1=CC=CC(=C1)Cl S549614 [0,2,0,0,0,0|1,0,1]=4 600 B11R1.157 O=C([O-])CC1=CC(=CC=C1)Br S235490 [0,2,0,0,0,0|1,0,1]=4 601 B11R1.157 OC1=CC=CC(=C1)OC(F)F CDS005791 [0,2,0,0,0,0|2,0,0]=4 602 B11R1.189 C(=O)CC1=CC=CC(=C1)OC CDS021827 [0,2,0,0,0,0|1,0,1]=4 603 B11R1.189 CCNC1=CC(=CC=C1)CC PH012321 [0,2,0,0,0,0|2,0,0]=4 604 B11R1.189 COCC1=CC=CC(=C1)CBr CDS024084 [0,2,0,0,0,0|2,0,0]=4 605 B11R1.189 N#CCC1=CC(=CC=C1)C=O CDS015965 [0,2,0,0,0,0|0,0,2]=4 606 B11R1.7 CC(C)(CCl)[N+]1=CC=CC=C1 R788120 [0,2,0,0,0,0|2,0,0]=4 607 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S333697 [0,2,0,0,0,0|1,0,0]=3 608 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S486078 [0,2,0,0,0,0|1,0,0]=3 609 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S494992 [0,2,0,0,0,0|1,0,0]=3 610 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S497304 [0,2,0,0,0,0|1,0,0]=3 611 B11R1.7 COC(C)(C)C1=CC=CC=C1 S713104 [0,2,0,0,0,0|2,0,0]=4 612 B11R1.7 C[Si](C)(CO)C1=CC=CC=C1 S832316 [0,2,0,0,0,0|1,1,0]=4 613 B11R1.12 CC/C(=N/O)/C1=CC=CC=C1 S799947 [0,2,0,0,0,0|1,0,1]=4 614 B11R1.12 CC/C(=N\O)/C1=CC=CC=C1 PH011544 [0,2,0,0,0,0|1,0,1]=4 615 B11R1.12 CCC(CC)C1=CC=CC=C1 S109592 [0,2,0,0,0,0|1,0,0]=3 616 B11R1.12 CCC(CC)C1=CC=CC=C1 S37940 [0,2,0,0,0,0|1,0,0]=3 617 B11R1.12 CCC(CC)C1=CC=CC=N1 S546259 [0,2,0,0,0,0|2,0,0]=4 618 B11R1.12 CCC(NC)C1=CC=CC=C1 CDS000205 [0,2,0,0,0,0|1,0,0]=3 619 B11R1.12 CCC(NC)C1=CC=CN=C1 CDS021076 [0,2,0,0,0,0|2,0,0]=4 620 B11R1.12 N#CC(C=O)C1=CC=CC=C1 PH011096 [0,2,0,0,0,0|0,0,2]=4 621 B11R1.16 C(=O)NC(C)C1=CC=CC=C1 S520349 [0,2,0,0,0,0|1,0,1]=4 622 B11R1.16 C=CCC(=O)C1=CC=CC=C1 T216402 [0,2,0,0,0,0|1,0,1]=4 623 B11R1.16 C=CCN(C)C1=CC=CC=C1 S438677 [0,2,0,0,0,0|1,0,1]=4 624 B11R1.16 CC(/C=N/O)C1=CC=CC=C1 S619094 [0,2,0,0,0,0|0,0,2]=4 625 B11R1.16 CC(N=C=S)C1=CC=CC=C1 S645478 [0,2,0,0,0,0|1,0,1]=4 626 B11R1.16 CC(N=[N+]=[N-])C1=CC=CC=C1 PH018363 [0,2,0,0,0,0|1,0,1]=4 627 B11R1.16 CCCC(C)C1=CC=CC=C1 S570958 [0,2,0,0,0,0|1,0,0]=3 628 B11R1.16 CCCC(N)C1=CC=CC=C1 CBR00785 [0,2,0,0,0,0|1,0,0]=3 629 B11R1.16 CCCS(=O)C1=CC=CC=C1 S799858 [0,2,0,0,0,0|1,0,0]=3 630 B11R1.16 CCNC(=O)C1=CC=CC=C1 S681059 [0,2,0,0,0,0|1,0,1]=4 631 B11R1.16 CN/N=C(\N)/C1=CC=CC=C1 S32353 [0,2,0,0,0,0|1,0,1]=4 632 B11R1.16 CNCC(C)C1=CC=CC=C1 CDS011312 [0,2,0,0,0,0|0,0,0]=2 633 B11R1.16 CNCC(O)C1=CC=CC=C1 R158259 [0,2,0,0,0,0|0,0,0]=2 634 B11R1.16 CNCC(O)C1=CC=CC=C1 S321761 [0,2,0,0,0,0|0,0,0]=2 635 B11R1.16 COCC(N)C1=NC=CC=C1 CBR02363 [0,2,0,0,0,0|2,0,0]=4 636 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 CDS006581 [0,2,0,0,0,0|1,0,0]=3 637 B11R1.16 CSCC(=O)C1=CC=CC=C1 S834017 [0,2,0,0,0,0|1,0,1]=4 638 B11R1.16 O=C(NCO)C1=CC=CC=C1 S403466 [0,2,0,0,0,0|1,0,1]=4 639 B11R1.16 O=C(SCO)C1=CC=CC=C1 PH006830 [0,2,0,0,0,0|1,0,1]=4 640 B11R1.16 ONCC(O)C1=CC=CC=C1 S662003 [0,2,0,0,0,0|0,0,0]=2 641 B11R1.36 C(C)(N)[C@@H](C)C1=CC=CC=C1 S327697 [0,2,0,0,0,0|0,0,0]=2 642 B11R1.36 C(C)(N)[C@H](C)C1=CC=CC=C1 S316911 [0,2,0,0,0,0|0,0,0]=2 643 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 S881112 [0,2,0,0,0,0|1,0,1]=4 644 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 PH007480 [0,2,0,0,0,0|0,0,1]=3 645 B11R1.36 CC(C)C(C)C1=CC=CC=C1 S316091 [0,2,0,0,0,0|1,0,0]=3 646 B11R1.36 CC(C)C(N)C1=CC=CC=N1 CBR00662 [0,2,0,0,0,0|2,0,0]=4 647 B11R1.36 CC(C)C(N)C1=CC=CN=C1 CBR00667 [0,2,0,0,0,0|2,0,0]=4 648 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 CDS015841 [0,2,0,0,0,0|1,0,0]=3 649 B11R1.36 CC(C1=CC=CC=C1)N(C)C CDS001551 [0,2,0,0,0,0|2,0,0]=4 650 B11R1.36 CC(O)C(C)C1=CC=CC=C1 R157589 [0,2,0,0,0,0|1,0,0]=3 651 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313424 [0,2,0,0,0,0|1,0,0]=3 652 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313432 [0,2,0,0,0,0|1,0,0]=3 653 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S485527 [0,2,0,0,0,0|1,0,0]=3 654 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494054 [0,2,0,0,0,0|1,0,0]=3 655 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494062 [0,2,0,0,0,0|1,0,0]=3 656 B11R1.36 CN(N)C(=N)C1=CC=CC=C1 S32361 [0,2,0,0,0,0|1,0,1]=4 657 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 CBR01201 [0,2,0,0,0,0|0,0,1]=3 658 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CDS003589 [0,2,0,0,0,0|0,0,1]=3 659 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 S684473 [0,2,0,0,0,0|1,0,1]=4 660 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 TMT00523 [0,2,0,0,0,0|1,0,1]=4 661 B11R1.36 O=P(O)C(O)C1=CC=CC=C1 S576263 [0,2,0,0,0,0|2,0,0]=4 662 B11R1.36 P(=O)([O-])C(O)C1=CC=CC=C1 S359920 [0,2,0,0,0,0|2,0,0]=4 663 B11R1.36 [C@@H](C)(O)[C@@H](C)C1=CC=CC=C1 L157201 [0,2,0,0,0,0|1,0,0]=3 664 B11R1.28 C#CCCCC1=CC=CC=C1 CDS001437 [0,2,0,0,0,0|1,0,0]=3 665 B11R1.28 C#CCOCC1=CC=CC=C1 T268720 [0,2,0,0,0,0|1,0,0]=3 666 B11R1.28 C/C=C/COC1=CC=CC=C1 S767832 [0,2,0,0,0,0|1,0,1]=4 667 B11R1.28 C/C=C/CSC1=CC=CC=C1 S746207 [0,2,0,0,0,0|1,0,1]=4 668 B11R1.28 C=CCNCC1=CC=CC=C1 ANV00005 [0,2,0,0,0,0|1,0,0]=3 669 B11R1.28 C=CCNCC1=CC=CC=C1 CBR01347 [0,2,0,0,0,0|1,0,0]=3 670 B11R1.28 C=CCNCC1=NC=CC=C1 CDS020991 [0,2,0,0,0,0|2,0,0]=4 671 B11R1.28 CC#CCOC1=CC=CC=C1 PH009632 [0,2,0,0,0,0|1,0,1]=4 672 B11R1.28 CCC/C=C/C1=CC=CC=C1 S579645 [0,2,0,0,0,0|1,0,0]=3 673 B11R1.28 CCCCOC1=NC=CC=C1 S434299 [0,2,0,0,0,0|2,0,0]=4 674 B11R1.28 CCCN=CC1=CC=CC=C1 S376639 [0,2,0,0,0,0|1,0,0]=3 675 B11R1.28 CCNCCC1=CC=CC=N1 S361453 [0,2,0,0,0,0|1,0,0]=3 676 B11R1.28 CCNCCC1=CC=NC=C1 OTV000969 [0,2,0,0,0,0|1,0,0]=3 677 B11R1.28 CCO/C=C/C1=CC=CC=C1 S722103 [0,2,0,0,0,0|1,0,1]=4 678 B11R1.28 CCOCCC1=CC=CC=N1 S361402 [0,2,0,0,0,0|2,0,0]=4 679 B11R1.28 CCOCCC1=CC=NC=C1 S368741 [0,2,0,0,0,0|2,0,0]=4 680 B11R1.28 CNCCCC1=CC=CC=C1 CDS006632 [0,2,0,0,0,0|0,0,0]=2 681 B11R1.28 COCCOC1=CC=CC=C1 S793000 [0,2,0,0,0,0|1,0,0]=3 682 B11R1.28 COCCSC1=CC=CC=C1 TMT00668 [0,2,0,0,0,0|1,0,0]=3 683 B11R1.28 CSCCOC1=CC=CC=C1 S697990 [0,2,0,0,0,0|1,0,0]=3 684 B11R1.28 Cl/C=C/CSC1=CC=CC=C1 S722243 [0,2,0,0,0,0|1,0,1]=4 685 B11R1.28 ClCCCSC1=CC=CC=C1 S799211 [0,2,0,0,0,0|1,0,0]=3 686 B11R1.28 ClCCNCC1=CC=CC=C1 S377872 [0,2,0,0,0,0|1,0,0]=3 687 B11R1.28 N#CCOCC1=CC=CC=C1 S240400 [0,2,0,0,0,0|0,0,1]=3 688 B11R1.28 NCCCNC1=CC=CC=C1 CDS021448 [0,2,0,0,0,0|0,0,0]=2 689 B11R1.28 NCCCNC1=CC=CC=N1 PH014605 [0,2,0,0,0,0|1,0,0]=3 690 B11R1.28 NCCCOC1=CC=CC=C1 PH010546 [0,2,0,0,0,0|0,0,0]=2 691 B11R1.28 NCCCOC1=CC=CC=C1 VBP00077 [0,2,0,0,0,0|0,0,0]=2 692 B11R1.28 NNCCCC1=CC=NC=C1 PH019436 [0,2,0,0,0,0|1,0,0]=3 693 B11R1.28 NNCCCC1=NC=CC=C1 PH019447 [0,2,0,0,0,0|1,0,0]=3 694 B11R1.28 NOCCOC1=CC=CC=C1 CDS015326 [0,2,0,0,0,0|0,0,0]=2 695 B11R1.28 O/N=C/CCC1=CC=CC=C1 PH009095 [0,2,0,0,0,0|0,0,1]=3 696 B11R1.28 OCC/N=C/C1=CC=CC=C1 PH007114 [0,2,0,0,0,0|1,0,0]=3 697 B11R1.28 OCCCNC1=NC=CC=C1 EME00343 [0,2,0,0,0,0|2,0,0]=4 698 B11R1.28 OCCCSC1=CC=CC=C1 S799238 [0,2,0,0,0,0|1,0,0]=3 699 B11R1.28 OCCNCC1=NC=CC=C1 PH014542 [0,2,0,0,0,0|2,0,0]=4 700 B11R1.40 CC(CC1=CC=CC=C1)NN PH000293 [0,2,0,0,0,0|0,0,0]=2 701 B11R1.40 CCC(=O)OC1=CC=CC=C1 CDS000560 [0,2,0,0,0,0|1,0,1]=4 702 B11R1.40 CCC(C)NC1=CC=CC=C1 S372293 [0,2,0,0,0,0|1,0,0]=3 703 B11R1.40 CCN(C)CC1=CC=CC=C1 PH012025 [0,2,0,0,0,0|1,0,0]=3 704 B11R1.40 CN(C#N)CC1=CC=CC=C1 PH008772 [0,2,0,0,0,0|0,0,2]=4 705 B11R1.40 CNC(=S)NC1=CC=CC=C1 S615188 [0,2,0,0,0,0|1,0,1]=4 706 B11R1.40 CNC(C)CC1=NC=CC=C1 CBR00462 [0,2,0,0,0,0|1,0,0]=3 707 B11R1.40 COC(=N)CC1=CC=CC=C1 S671398 [0,2,0,0,0,0|0,0,2]=4 708 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 BOG00118 [0,2,0,0,0,0|0,0,1]=3 709 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 CDS003635 [0,2,0,0,0,0|0,0,1]=3 710 B11R1.40 NCC(=O)NC1=CC=CC=C1 TMT00170 [0,2,0,0,0,0|0,0,1]=3 711 B11R1.40 NNC(=O)OC1=CC=CC=C1 PH009655 [0,2,0,0,0,0|1,0,1]=4 712 B11R1.40 O=C(CBr)NC1=CC=CC=C1 CDS009932 [0,2,0,0,0,0|1,0,1]=4 713 B11R1.40 O=C(CC1=CC=CC=C1)O[Ag] S287369 [0,2,0,0,0,0|1,0,1]=4 714 B11R1.40 O=C(NO)NC1=CC=CC=C1 S716790 [0,2,0,0,0,0|1,0,1]=4 715 B11R1.40 OC(CCl)CC1=CC=CC=C1 S825743 [0,2,0,0,0,0|1,0,0]=3 716 B11R1.40 OC(CCl)C[N+]1=CC=CC=C1 S65065 [0,2,0,0,0,0|2,0,0]=4 717 B11R1.91 C=C(C)CNC1=CC=CC=C1 S352047 [0,2,0,0,0,0|1,0,1]=4 718 B11R1.91 C=C(C)CSC1=CC=CC=C1 S614203 [0,2,0,0,0,0|1,0,1]=4 719 B11R1.91 C=C(Cl)CNC1=CC=CC=C1 PH010554 [0,2,0,0,0,0|1,0,1]=4 720 B11R1.91 C=C(Cl)CSC1=CC=CC=C1 S767883 [0,2,0,0,0,0|1,0,1]=4 721 B11R1.91 CC(=O)CSC1=CC=CC=C1 PH011676 [0,2,0,0,0,0|1,0,1]=4 722 B11R1.91 CC(C)CSC1=CC=CC=C1 T286885 [0,2,0,0,0,0|1,0,0]=3 723 B11R1.91 CC(C)N=CC1=CC=CC=C1 S376825 [0,2,0,0,0,0|1,0,1]=4 724 B11R1.91 CC(C)NCC1=CC=CC=C1 S633151 [0,2,0,0,0,0|1,0,0]=3 725 B11R1.91 CC(C)NCC1=CC=CC=C1 S696668 [0,2,0,0,0,0|1,0,0]=3 726 B11R1.91 CC(C)NCC1=CC=CN=C1 CBR00082 [0,2,0,0,0,0|2,0,0]=4 727 B11R1.91 CC(C)OCC1=CC=CC=C1 T332682 [0,2,0,0,0,0|1,0,0]=3 728 B11R1.91 CC(N)CCC1=CC=CC=C1 S363766 [0,2,0,0,0,0|0,0,0]=2 729 B11R1.91 CC(N)COC1=CC=CC=C1 PH011886 [0,2,0,0,0,0|0,0,0]=2 730 B11R1.91 CN(C)/C=N/C1=CC=CC=C1 R428108 [0,2,0,0,0,0|1,0,1]=4 731 B11R1.91 CN(C)/C=N/C1=CC=CC=C1 S361119 [0,2,0,0,0,0|1,0,1]=4 732 B11R1.91 CN(C)CCC1=CC=NC=C1 PH000201 [0,2,0,0,0,0|1,0,0]=3 733 B11R1.91 CN(C)CCC1=CN=CC=N1 PH012649 [0,2,0,0,0,0|2,0,0]=4 734 B11R1.91 CN(C)CCC1=NC=CC=C1 PH000750 [0,2,0,0,0,0|1,0,0]=3 735 B11R1.91 CN(C)CCC1=NC=CC=C1 S456276 [0,2,0,0,0,0|1,0,0]=3 736 B11R1.91 CN(N)CCC1=CC=CC=C1 PH013245 [0,2,0,0,0,0|0,0,0]=2 737 B11R1.91 CN(O)CCC1=CC=NC=C1 PH008939 [0,2,0,0,0,0|1,0,0]=3 738 B11R1.91 CS(=O)CCC1=CC=CC=N1 PH013755 [0,2,0,0,0,0|2,0,0]=4 739 B11R1.91 N=C(N)CCC1=NC=CC=C1 PH015393 [0,2,0,0,0,0|1,0,0]=3 740 B11R1.91 N=C(N)COC1=CC=CC=C1 PH014519 [0,2,0,0,0,0|0,0,1]=3 741 B11R1.91 N=C(N)NCC1=CC=CC=C1 CBR01532 [0,2,0,0,0,0|0,0,1]=3 742 B11R1.91 NC(=COC1=CC=CC=C1)N PH018935 [0,2,0,0,0,0|0,0,2]=4 743 B11R1.91 NC(=O)CC[N+]1=CC=CC=C1 S343315 [0,2,0,0,0,0|1,0,0]=3 744 B11R1.91 NC(=O)CNC1=CC=CC=C1 PH010726 [0,2,0,0,0,0|0,0,1]=3 745 B11R1.91 NC(=O)CSC1=CC=CC=C1 PH011181 [0,2,0,0,0,0|0,0,1]=3 746 B11R1.91 NC(=O)OCC1=CN=CC=C1 PH007236 [0,2,0,0,0,0|1,0,1]=4 747 B11R1.91 NC(=S)COC1=CC=CC=C1 OTV000098 [0,2,0,0,0,0|0,0,1]=3 748 B11R1.91 NC(=S)NCC1=CC=CC=C1 S385816 [0,2,0,0,0,0|0,0,1]=3 749 B11R1.91 NC(=[S+]CC1=CC=CC=C1)N S34720 [0,2,0,0,0,0|0,0,1]=3 750 B11R1.91 O=C(O)CCC1=CC=NC=C1 CDS002094 [0,2,0,0,0,0|2,0,0]=4 751 B11R1.91 O=C([O-])COC1=CC=CC=C1 R257494 [0,2,0,0,0,0|1,0,1]=4 752 B11R1.91 O=C([O-])CSC1=CC=CC=C1 T288012 [0,2,0,0,0,0|1,0,1]=4 753 B11R1.91 O=P(O)OCC1=CC=CC=C1 S435015 [0,2,0,0,0,0|1,1,0]=4 754 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 PH011646 [0,2,0,0,0,0|2,0,0]=4 755 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 R284572 [0,2,0,0,0,0|2,0,0]=4 756 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 S342041 [0,2,0,0,0,0|2,0,0]=4 757 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 S342068 [0,2,0,0,0,0|2,0,0]=4 758 B11R1.509 C[N+](C)(N)CC1=CC=CC=C1 S761869 [0,2,0,0,0,0|1,0,0]=3 759 B11R1.509 C[N+](C)([O-])CC1=CC=CC=C1 S428078 [0,2,0,0,0,0|2,0,0]=4 760 B11R1.509 ClC(Cl)(Cl)[Hg]C1=CC=CC=C1 S851965 [0,2,0,0,0,0|2,0,0]=4 761 B11R1.509 FC(F)(F)CC1=CC=CC=C1 MNO000048 [0,2,0,0,0,0|1,0,0]=3 762 B11R1.509 FC(F)(F)[Hg]C1=CC=CC=C1 S110469 [0,2,0,0,0,0|2,0,0]=4 763 B11R1.509 NS(=O)(=O)OC1=CC=CC=C1 PH008054 [0,2,0,0,0,0|2,0,0]=4 764 B11R1.509 O=S(=O)([O-])CC1=CC=CC=C1 S808962 [0,2,0,0,0,0|2,0,0]=4 765 B11R1.509 [SiH2](C1=CC=CC=C1)C(C)(C)C S831409 [0,2,0,0,0,0|1,1,0]=4 766 B11R2.36 BrC1=CC2=C(C=C1)NN=N2 CDS007659 [0,1,0,1,0,0|2,0,0]=4 767 B11R2.36 BrC1=CC=C2CNCC2=C1 CDS019338 [0,1,0,1,0,0|2,0,0]=4 768 B11R2.36 CC1=CC2=C(C=C1)NCC2 CDS000231 [0,1,0,1,0,0|0,0,0]=2 769 B11R2.36 CC1=CC2=C(C=C1)NN=N2 CDS000420 [0,1,0,1,0,0|2,0,0]=4 770 B11R2.36 CC1=CC=C2C=NNC2=C1 CDS009361 [0,1,0,1,0,0|1,0,1]=4 771 B11R2.36 CC1=CC=C2NN=CC2=C1 CBR00090 [0,1,0,1,0,0|1,0,1]=4 772 B11R2.36 ClC1=CC2=C(C=C1)NCC2 CDS003126 [0,1,0,1,0,0|0,0,0]=2 773 B11R2.36 ClC1=CC=C2C=NNC2=C1 CDS006195 [0,1,0,1,0,0|1,0,1]=4 774 B11R2.36 ClC1=CC=C2NN=CC2=C1 CDS006550 [0,1,0,1,0,0|1,0,1]=4 775 B11R2.36 ClC1=NC2=C(C=C1)CCC2 CBR01977 [0,1,0,1,0,0|2,0,0]=4 776 B11R2.36 FC1=CC2=C(C=C1)NCC2 CDS005250 [0,1,0,1,0,0|0,0,0]=2 777 B11R2.36 FC1=CC=C2C=NNC2=C1 CDS006466 [0,1,0,1,0,0|1,0,1]=4 778 B11R2.36 FC1=CC=C2CCNC2=C1 CDS008960 [0,1,0,1,0,0|0,0,0]=2 779 B11R2.36 FC1=CC=C2NC=NC2=C1 CDS008386 [0,1,0,1,0,0|1,0,1]=4 780 B11R2.36 IC1=CC=C2CCNC2=C1 CDS022471 [0,1,0,1,0,0|0,0,0]=2 781 B11R2.36 IC1=CC=C2OCCC2=C1 CDS003452 [0,1,0,1,0,0|1,0,0]=3 782 B11R2.36 IC1=CC=C2OCCC2=C1 SYX00284 [0,1,0,1,0,0|1,0,0]=3 783 B11R2.36 IC1=CC=C2OCOC2=C1 CDS003005 [0,1,0,1,0,0|2,0,0]=4 784 B11R2.36 NC1=CC2=C(C=C1)CCC2 T167487 [0,1,0,1,0,0|1,0,0]=3 785 B11R2.36 NC1=CC2=C(C=C1)NC=N2 CDS003539 [0,1,0,1,0,0|1,0,1]=4 786 B11R2.36 NC1=CC2=C(C=C1)NN=N2 CDS000711 [0,1,0,1,0,0|2,0,0]=4 787 B11R2.36 NC1=CC=C2NCCC2=C1 CDS019734 [0,1,0,1,0,0|0,0,0]=2 788 B11R2.36 O=C1C=CC2=C(N1)CCC2 T327182 [0,1,0,1,0,0|2,0,0]=4 789 B11R2.36 OC1=CC=C2NC=NC2=C1 CBR02476 [0,1,0,1,0,0|1,0,1]=4 790 B11R2.117 CC1=CC=C2CC(C2=N1)C T174130 [0,1,0,1,0,0|2,0,0]=4 791 B11R2.742 O=C1C=CC2(C=C1)CCO2 T273562 [0,1,0,1,0,0|1,0,1]=4 792 B11R2.10 CC1CC2=C(O1)C=CC=C2 S455830 [0,1,0,1,0,0|1,0,0]=3 793 B11R2.10 CN1CC2=CC=CC=C2C1 PH012966 [0,1,0,1,0,0|2,0,0]=4 794 B11R2.10 N1C(=NC2=C1C=CC=C2)C S447102 [0,1,0,1,0,0|1,0,1]=4 795 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000231 [0,1,0,1,0,0|1,0,1]=4 796 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000865 [0,1,0,1,0,0|1,0,1]=4 797 B11R2.10 SC1CC2=CC=CC=C2C1 CDS023745 [0,1,0,1,0,0|1,0,0]=3 798 B11R2.20 C1=CC2=C(C=C1)CNCC2 R750530 [0,1,0,1,0,0|0,0,0]=2 799 B11R2.20 C1=CC=C2N=CNCC2=C1 PH008283 [0,1,0,1,0,0|0,0,2]=4 800 B11R2.20 C1=CC=C2OCCNC2=C1 CDS019685 [0,1,0,1,0,0|0,0,0]=2 801 B11R2.20 C1=CN=C2CCCNC2=C1 T316458 [0,1,0,1,0,0|1,0,0]=3 802 B11R2.20 C1=CN=C2NCCCC2=C1 CDS022647 [0,1,0,1,0,0|1,0,0]=3 803 B11R2.20 C1=CN=C2OCCNC2=C1 ADE001247 [0,1,0,1,0,0|1,0,0]=3 804 B11R2.20 C1=CN=C2OCCOC2=C1 ADE000017 [0,1,0,1,0,0|2,0,0]=4 805 B11R2.20 C1=NC=C2CCCNC2=C1 CDS016859 [0,1,0,1,0,0|1,0,0]=3 806 B11R2.20 C1=NC=C2CCCOC2=C1 ADE000002 [0,1,0,1,0,0|2,0,0]=4 807 B11R2.20 C1=NC=C2OCCNC2=C1 ADE001246 [0,1,0,1,0,0|1,0,0]=3 808 B11R2.20 P1CC=CC2=C1C=CC=C2 S835919 [0,1,0,1,0,0|0,1,1]=4 809 B11R2.55 NC1=C(C=CC=C1)C2CC2 CDS021534 [0,1,0,1,0,0|1,0,0]=3 810 B11R2.106 BrC1=C2NN=NC2=CC=C1 CDS021140 [0,1,0,1,0,0|2,0,0]=4 811 B11R2.106 CC1=C2C=NNC2=CC=C1 CBR00232 [0,1,0,1,0,0|1,0,1]=4 812 B11R2.106 CC1=C2NN=CC2=CC=C1 CBR00226 [0,1,0,1,0,0|1,0,1]=4 813 B11R2.106 ClC1=CC=CC2=C1C=NN2 BML00245 [0,1,0,1,0,0|1,0,1]=4 814 B11R2.106 OC1=CC=CC2=C1N=CN2 CDS008334 [0,1,0,1,0,0|1,0,1]=4 815 B11R2.106 OC1=CC=CC2=C1NC=C2 CDS005198 [0,1,0,1,0,0|0,0,2]=4 816 B11R2.35 BrC1=CC=CC(=C1)C2CC2 MNO000086 [0,1,0,1,0,0|1,0,0]=3 817 B11R2.35 NC1=CC=CC(=C1)C2CC2 CDS022395 [0,1,0,1,0,0|1,0,0]=3 818 B11R2.1 CC1=NNC2=CC=CC=C12 CDS006326 [0,1,0,1,0,0|1,0,1]=4 819 B11R2.1 NC1=NNC2=C1C=CC=C2 CDS014250 [0,1,0,1,0,0|1,0,1]=4 820 B11R2.1 NC1=NOC2=C1C=CC=C2 CDS013958 [0,1,0,1,0,0|1,0,1]=4 821 B11R2.1 NC1COC2=CC=CC=C12 CBR01411 [0,1,0,1,0,0|0,0,0]=2 822 B11R2.1 O=C1NCC2=C1C=CC=C2 CDS020611 [0,1,0,1,0,0|1,0,1]=4 823 B11R2.1 SC1=CNC2=C1C=CC=C2 CDS014121 [0,1,0,1,0,0|0,0,2]=4 824 B11R2.1 [O-][N+]1=CNC2=C1C=CC=C2 R429619 [0,1,0,1,0,0|1,0,1]=4 825 B11R2.40 NC1(CC1)C2=CC=CC=C2 OTV000611 [0,1,0,1,0,0|1,0,0]=3 826 B11R2.40 NC1(CC1)C2=CC=CN=C2 PH017220 [0,1,0,1,0,0|2,0,0]=4 827 B11R2.40 NC1(CC1)C2=CC=NC=C2 PH018491 [0,1,0,1,0,0|2,0,0]=4 828 B11R2.239 C1=CC(=CC=N1)C2CNC2 PH019033 [0,1,0,1,0,0|1,0,0]=3 829 B11R2.239 C1=CC(=NN=C1)C2CNC2 PH019031 [0,1,0,1,0,0|2,0,0]=4 830 B11R2.239 C1=CC=C(C=C1)C2CCN2 CDS019224 [0,1,0,1,0,0|0,0,0]=2 831 B11R2.239 C1=CN=C(C=C1)C2CNC2 PH018991 [0,1,0,1,0,0|1,0,0]=3 832 B11R2.239 C1=CN=C(N=C1)C2CNC2 PH018956 [0,1,0,1,0,0|2,0,0]=4 833 B11R2.239 C1=CN=CC(=C1)C2CNC2 PH019032 [0,1,0,1,0,0|1,0,0]=3 834 B11R2.239 C1=NC=C(C=N1)C2CNC2 PH019030 [0,1,0,1,0,0|2,0,0]=4 835 B7R1.1 BrCC1=CSC=C1 CDS022029 [1,0,0,0,1,0|2,0,0]=4 836 B7R1.1 CCC1=CNN=C1 CBR01738 [1,0,0,0,1,0|2,0,0]=4 837 B7R1.1 CSC1=CC=CS1 R436550 [1,0,0,0,1,0|2,0,0]=4 838 B7R1.1 NCC1=CN=CS1 CDS007657 [1,0,0,0,1,0|2,0,0]=4 839 B7R1.1 NCC1=COC=C1 CDS008929 [1,0,0,0,1,0|1,0,0]=3 840 B7R1.1 NCC1=NC=CS1 CDS023086 [1,0,0,0,1,0|2,0,0]=4 841 B7R1.1 NCC1=NC=CS1 PHB00196 [1,0,0,0,1,0|2,0,0]=4 842 B7R1.1 OCC1=CC=CN1 CDS009556 [1,0,0,0,1,0|2,0,0]=4 843 B7R1.1 SCC1=CC=CS1 CDS000069 [1,0,0,0,1,0|2,0,0]=4