0 B9R1.6 CC(Br)C1=NC=CC=C1 CDS022641 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.6 CC(C)C1=CC=NC=C1 R751863 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.6 CC(N)C1=CC=CN=C1 BOG00119 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.6 CC(N)C1=CC=CN=C1 CDS005298 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [0,0,0,0,0,0|1,1,1]=3 5 B9R1.6 CN(N)C1=CC=CC=C1 S416320 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.6 C[Te+](C)C1=CC=CC=C1 S14878 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.6 Cl[C+](Cl)C1=CC=CC=C1 S449571 [0,0,0,0,0,0|2,0,1]=3 8 B9R1.6 N=C(N)C1=NC=NC=C1 PH018567 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.6 NC(=S)C1=NC=CC=N1 BOG00003 [0,0,0,0,0,0|3,1,0]=4 10 B9R1.6 O=C(Cl)C1=CC=CN=C1 TMT00021 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.6 O=C(Cl)C1=CN=CN=C1 CDS022016 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.6 O=C(Cl)C1=NC=CC=C1 CDS000333 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.6 O=C(O)C1=CC=CC=N1 S172049 [0,0,0,0,0,0|1,0,0]=1 14 B9R1.6 O=C(O)C1=CC=CC=N1 S488666 [0,0,0,0,0,0|1,0,0]=1 15 B9R1.6 O=C(O)C1=CN=CN=C1 CDS003995 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.6 O=C(O)C1=COCCC1 CDS022220 [0,0,0,0,0,0|1,0,3]=4 17 B9R1.6 O=C(O)C1=COCCO1 T325333 [0,0,0,0,0,0|2,0,2]=4 18 B9R1.6 O=C(O)C1C=CCC=C1 T167908 [0,0,0,0,0,0|0,0,2]=2 19 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [0,0,0,0,0,0|0,0,1]=1 20 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [0,0,0,0,0,0|1,0,0]=1 21 B9R1.6 OB(O)C1=CC=CC=N1 CDS009263 [0,0,0,0,0,0|2,0,1]=3 22 B9R1.6 OB(O)C1=CC=NC=C1 CDS006321 [0,0,0,0,0,0|2,0,1]=3 23 B9R1.6 OB(O)C1=CN=CN=C1 CDS013999 [0,0,0,0,0,0|3,0,1]=4 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|2,0,1]=4 26 B8R1.2 C(=O)C1=CN=CN=C1 CDS004733 [1,0,0,0,0,0|2,0,0]=3 27 B8R1.2 C1(C=CCC=C1)CO T175528 [1,0,0,0,0,0|0,0,3]=4 28 B8R1.2 C=CC1=CC=CC=C1 S460680 [1,0,0,0,0,0|1,0,0]=2 29 B8R1.2 C=CC1=CC=CC=C1 S461830 [1,0,0,0,0,0|1,0,0]=2 30 B8R1.2 C=CC1=CC=CC=C1 S462152 [1,0,0,0,0,0|1,0,0]=2 31 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [1,0,0,0,0,0|2,0,0]=3 32 B8R1.2 NCC1=CC=CC=C1 S696684 [1,0,0,0,0,0|1,0,1]=3 33 B8R1.2 NCC1=CN=CC=C1 S763780 [1,0,0,0,0,0|2,0,1]=4 34 B8R1.2 O=CC1=CN=CC=N1 CDS008587 [1,0,0,0,0,0|2,0,0]=3 35 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [1,0,0,0,0,0|1,0,0]=2 36 B8R1.2 OCC1=CC=CN=N1 CDS015970 [1,0,0,0,0,0|2,0,1]=4 37 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [1,0,0,0,0,0|2,0,0]=3 38 B10R1.13 BrC1=CC=C(C=C1)[Sb](I)I PH002149 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.13 C=C(C)C1=CC=C(C=C1)F CDS001211 [0,1,0,0,0,0|2,0,0]=3 40 B10R1.13 CC(=O)C1=CC=C(C=N1)C CBR02273 [0,1,0,0,0,0|2,0,0]=3 41 B10R1.13 CC(=O)C1=CC=C(N=C1)Cl CDS007858 [0,1,0,0,0,0|2,0,0]=3 42 B10R1.13 CC(=O)C1=CC=[N+](C=C1)C R228613 [0,1,0,0,0,0|2,0,0]=3 43 B10R1.13 CC(C)C1=CC=C(C=C1)F S362034 [0,1,0,0,0,0|2,0,1]=4 44 B10R1.13 CC(C)C1=CC=C(C=C1)S R262188 [0,1,0,0,0,0|2,0,1]=4 45 B10R1.13 CC1=CC=C(C=C1)C(=N)N CDS004524 [0,1,0,0,0,0|2,0,0]=3 46 B10R1.13 CC1=CC=C(C=C1)S(=O)O T212016 [0,1,0,0,0,0|1,0,0]=2 47 B10R1.13 CC1=CC=C(C=N1)B(O)O CDS020001 [0,1,0,0,0,0|2,0,1]=4 48 B10R1.13 CC1=CC=C(C=N1)[N+](=O)[O-] PH010163 [0,1,0,0,0,0|2,0,1]=4 49 B10R1.13 CC1=CC=C(N=C1)C(=O)O CDS015362 [0,1,0,0,0,0|1,0,0]=2 50 B10R1.13 CC1=CC=C(N=N1)C(=O)O CDS023095 [0,1,0,0,0,0|2,0,0]=3 51 B10R1.13 CC1=NC=C(C=N1)C(=O)O CBR01580 [0,1,0,0,0,0|2,0,0]=3 52 B10R1.13 CC1C=CC(C=C1)C(=O)O T167762 [0,1,0,0,0,0|0,0,2]=3 53 B10R1.13 CN(C)C1=CC=C(C=C1)S CDS006116 [0,1,0,0,0,0|3,0,0]=4 54 B10R1.13 C[N+]1=CC=C(C=C1)C(=O)O S407054 [0,1,0,0,0,0|1,0,0]=2 55 B10R1.13 N1N=C(C=CC1=O)C(=O)O S909475 [0,1,0,0,0,0|2,0,0]=3 56 B10R1.13 N=C(N)C1=CC=C(C=C1)Cl CDS003585 [0,1,0,0,0,0|2,0,0]=3 57 B10R1.13 N=C(N)C1=CC=C(C=C1)F CDS004472 [0,1,0,0,0,0|2,0,0]=3 58 B10R1.13 N=C(N)C1=CC=C(C=C1)O L496618 [0,1,0,0,0,0|2,0,0]=3 59 B10R1.13 N=C(N)C1=CC=C(C=C1)O PH016728 [0,1,0,0,0,0|2,0,0]=3 60 B10R1.13 N=C(N)C1=CC=C(C=C1)O S761559 [0,1,0,0,0,0|2,0,0]=3 61 B10R1.13 NC(=O)C1=CN=C(C=C1)O EME00449 [0,1,0,0,0,0|2,0,0]=3 62 B10R1.13 NC(=S)C1=CC=C(C=C1)O CDS003997 [0,1,0,0,0,0|1,1,0]=3 63 B10R1.13 NC(=S)C1=CC=C(C=N1)N BOG00001 [0,1,0,0,0,0|2,1,0]=4 64 B10R1.13 NC1=CC=C(C=C1)C(=O)O S820083 [0,1,0,0,0,0|0,0,0]=1 65 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] S571024 [0,1,0,0,0,0|0,0,1]=2 66 B10R1.13 O=C(O)C1=CC=C(C=N1)Cl CDS003151 [0,1,0,0,0,0|1,0,0]=2 67 B10R1.13 O=C(O)C1=CC=C(C=N1)O CDS004398 [0,1,0,0,0,0|1,0,0]=2 68 B10R1.13 O=C(O)C1=CN=C(N=C1)Cl CDS009961 [0,1,0,0,0,0|2,0,0]=3 69 B10R1.13 O=C(O)C1=NN=C(C=C1)Cl CDS020720 [0,1,0,0,0,0|2,0,0]=3 70 B10R1.13 O=C([O-])C1=CC=C(C=C1)I S840890 [0,1,0,0,0,0|0,0,1]=2 71 B10R1.13 O=C1C=CC(=NN1)C(=O)O CDS015149 [0,1,0,0,0,0|2,0,0]=3 72 B10R1.13 O=S([O-])C1=CC=C(C=C1)Cl S614394 [0,1,0,0,0,0|1,0,1]=3 73 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)[O-] S592323 [0,1,0,0,0,0|1,0,1]=3 74 B10R1.13 O=[N+]([O-])C1=CC=C(N=C1)S PH009935 [0,1,0,0,0,0|2,0,1]=4 75 B10R1.13 OB(O)C1=CC=C(C=N1)Cl CDS002921 [0,1,0,0,0,0|2,0,1]=4 76 B10R1.15 C/C(=C/Br)/C1=CC=CC=C1 S881791 [0,1,0,0,0,0|2,0,0]=3 77 B10R1.15 C/C(=N\O)/C1=CC=NC=C1 S101478 [0,1,0,0,0,0|2,0,0]=3 78 B10R1.15 C/C(=N\O)/C1=CN=CC=C1 PH005162 [0,1,0,0,0,0|2,0,0]=3 79 B10R1.15 C1(C=CCC=C1)C(=O)OC T175234 [0,1,0,0,0,0|0,0,2]=3 80 B10R1.15 C=C(OC)C1=CC=CC=C1 PH000315 [0,1,0,0,0,0|1,0,0]=2 81 B10R1.15 CC(CBr)C1=CC=CC=C1 S461210 [0,1,0,0,0,0|2,0,1]=4 82 B10R1.15 CC(NN)C1=CC=CC=C1 PH009827 [0,1,0,0,0,0|2,0,1]=4 83 B10R1.15 CCB(N)C1=CC=CC=C1 S320773 [0,1,0,0,0,0|3,0,0]=4 84 B10R1.15 CCC(=O)C1=NC=CC=C1 CDS007501 [0,1,0,0,0,0|2,0,0]=3 85 B10R1.15 CCN(C)C1=CC=CC=C1 R750956 [0,1,0,0,0,0|3,0,0]=4 86 B10R1.15 CCN(N)C1=CC=CC=C1 PH010945 [0,1,0,0,0,0|3,0,0]=4 87 B10R1.15 CN(N=O)C1=CC=CC=C1 PH000088 [0,1,0,0,0,0|2,0,0]=3 88 B10R1.15 CNC(C)C1=CC=CC=C1 CDS010605 [0,1,0,0,0,0|2,0,1]=4 89 B10R1.15 CNC(C)C1=CC=CC=C1 T172782 [0,1,0,0,0,0|2,0,1]=4 90 B10R1.15 CSC(=N)C1=CC=CC=N1 BOG00223 [0,1,0,0,0,0|2,1,0]=4 91 B10R1.15 CSC(=N)C1=CC=NC=C1 BOG00224 [0,1,0,0,0,0|2,1,0]=4 92 B10R1.15 CSC(=O)C1=CC=CC=C1 S918059 [0,1,0,0,0,0|0,1,0]=2 93 B10R1.15 ClCC(Cl)C1=CC=CC=C1 PH010970 [0,1,0,0,0,0|2,0,1]=4 94 B10R1.15 N#CN(N)C1=CC=CC=C1 PH008710 [0,1,0,0,0,0|3,0,0]=4 95 B10R1.15 N/C(=N/O)/C1=NC=CC=N1 BOG00014 [0,1,0,0,0,0|3,0,0]=4 96 B10R1.15 N/C(=N\O)/C1=CC=CC=C1 CDS001188 [0,1,0,0,0,0|1,0,0]=2 97 B10R1.15 NC(CO)C1=CC=CC=C1 CDS003505 [0,1,0,0,0,0|1,0,1]=3 98 B10R1.15 NC(CO)C1=CC=CN=C1 CDS010268 [0,1,0,0,0,0|2,0,1]=4 99 B10R1.15 NCC(=O)C1=CC=NC=C1 PH019007 [0,1,0,0,0,0|2,0,0]=3 100 B10R1.15 NCC(Cl)C1=CC=CC=C1 PH012604 [0,1,0,0,0,0|2,0,1]=4 101 B10R1.15 NNC(=O)C1=CC=CC=C1 S463663 [0,1,0,0,0,0|1,0,0]=2 102 B10R1.15 NNC(=O)C1=CC=CC=N1 CDS000511 [0,1,0,0,0,0|2,0,0]=3 103 B10R1.15 O=C(CBr)C1=NC=CC=C1 CDS017722 [0,1,0,0,0,0|2,0,0]=3 104 B10R1.15 O=C(N[O-])C1=CC=CC=C1 S453080 [0,1,0,0,0,0|0,0,1]=2 105 B10R1.15 OC(CBr)C1=CC=CC=N1 PH013752 [0,1,0,0,0,0|2,0,1]=4 106 B10R1.15 [Li]OS(=O)C1=CC=CC=C1 S301140 [0,1,0,0,0,0|1,0,0]=2 107 B10R1.28 Br[Te](Br)(Br)C1=CC=CC=C1 S949361 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.28 CC(C)(N)C1=CC=CC=C1 CDS000619 [0,1,0,0,0,0|2,0,1]=4 109 B10R1.28 CC(C)(O)C1=CN=CC=C1 PH009821 [0,1,0,0,0,0|2,0,1]=4 110 B10R1.28 CP(=S)(C)C1=CC=CC=C1 S543330 [0,1,0,0,0,0|2,1,0]=4 111 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 R750611 [0,1,0,0,0,0|3,0,0]=4 112 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 S370363 [0,1,0,0,0,0|3,0,0]=4 113 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 S96440 [0,1,0,0,0,0|3,0,0]=4 114 B10R1.28 C[Te](Br)(Br)C1=CC=CC=C1 S14827 [0,1,0,0,0,0|3,0,0]=4 115 B10R1.28 Cl[Te](Cl)(Cl)C1=CC=CC=C1 S940674 [0,1,0,0,0,0|3,0,0]=4 116 B10R1.28 O=P([O-])([O-])C1=CC=CC=C1 S828351 [0,1,0,0,0,0|1,0,1]=3 117 B10R1.28 O=S(=O)(Cl)C1=CN=CC=C1 CDS013908 [0,1,0,0,0,0|2,0,1]=4 118 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 S828335 [0,1,0,0,0,0|1,0,1]=3 119 B10R1.28 O=S(=O)([O-])C1=CN=CC=C1 S370525 [0,1,0,0,0,0|2,0,1]=4 120 B10R1.28 O[B-](O)(O)C1=CN=CC=C1 BCH00013 [0,1,0,0,0,0|2,0,1]=4 121 B10R1.28 S=P(Cl)(Cl)C1=CC=CC=C1 CDS000508 [0,1,0,0,0,0|2,1,0]=4 122 B10R1.61 C=C(C)C1=C(C=CC=C1)Cl PH015499 [0,1,0,0,0,0|2,0,0]=3 123 B10R1.61 CC(=O)C1=NC=CN=C1Cl PHB00229 [0,1,0,0,0,0|3,0,0]=4 124 B10R1.61 CC(C)C1=C(C=CC=C1)Br T330086 [0,1,0,0,0,0|2,0,1]=4 125 B10R1.61 CC(N)C1=C(C=CC=C1)F CDS004461 [0,1,0,0,0,0|2,0,1]=4 126 B10R1.61 CC(N)C1=CC=CC=C1Cl CDS007479 [0,1,0,0,0,0|2,0,1]=4 127 B10R1.61 CC(O)C1=CC=CC=C1Br S412627 [0,1,0,0,0,0|1,0,1]=3 128 B10R1.61 CC(O)C1=CC=CC=[N+]1C S236144 [0,1,0,0,0,0|2,0,1]=4 129 B10R1.61 CC1=C(C=CC=C1)C(=S)N PH010821 [0,1,0,0,0,0|1,1,0]=3 130 B10R1.61 CC1=C(C=CC=N1)B(O)O BML00230 [0,1,0,0,0,0|2,0,1]=4 131 B10R1.61 CC1=C(C=CC=N1)C(=O)N PH011108 [0,1,0,0,0,0|2,0,0]=3 132 B10R1.61 CC1=C(C=NC=C1)B(O)O BML00295 [0,1,0,0,0,0|2,0,1]=4 133 B10R1.61 CC1=C(C=NC=C1)B(O)O CDS003860 [0,1,0,0,0,0|2,0,1]=4 134 B10R1.61 CC1=C(C=NC=C1)C(=O)O CDS013547 [0,1,0,0,0,0|1,0,0]=2 135 B10R1.61 CC1=CC=CC=C1C(=N)N CDS008540 [0,1,0,0,0,0|2,0,0]=3 136 B10R1.61 CC1=CC=CC=C1C(C)N CDS004159 [0,1,0,0,0,0|2,0,1]=4 137 B10R1.61 CC1=NC=CC=C1B(O)O CDS019614 [0,1,0,0,0,0|2,0,1]=4 138 B10R1.61 CC1=NC=NC=C1C(=O)O CBR00009 [0,1,0,0,0,0|2,0,0]=3 139 B10R1.61 CN(C)C1=C(C=CC=C1)Cl CDS003001 [0,1,0,0,0,0|3,0,0]=4 140 B10R1.61 CS(=O)C1=CC=CC=C1O CDS005411 [0,1,0,0,0,0|2,0,0]=3 141 B10R1.61 C[C@@H](N)C1=CC=CC=C1O CDS019933 [0,1,0,0,0,0|2,0,1]=4 142 B10R1.61 FC1=C(C=CC=C1)C(F)F MNO000027 [0,1,0,0,0,0|2,0,1]=4 143 B10R1.61 N=C(N)C1=CC=CC=C1Cl PH000434 [0,1,0,0,0,0|2,0,0]=3 144 B10R1.61 N=C(N)C1=CC=CC=C1F PH010594 [0,1,0,0,0,0|2,0,0]=3 145 B10R1.61 NC1=CC=CN=C1C(=O)O CDS003125 [0,1,0,0,0,0|1,0,0]=2 146 B10R1.61 NC1=NC=NC=C1C(=O)O CDS007566 [0,1,0,0,0,0|2,0,0]=3 147 B10R1.61 O=C(Cl)C1=C(C=NC=C1)Cl PH016871 [0,1,0,0,0,0|2,0,0]=3 148 B10R1.61 O=C(O)C1=CC=CC=C1O R156981 [0,1,0,0,0,0|0,0,0]=1 149 B10R1.61 O=C(O)C1=CC=CC=C1O S693014 [0,1,0,0,0,0|0,0,0]=1 150 B10R1.61 O=C(O)C1=CC=NC=C1I CDS008728 [0,1,0,0,0,0|1,0,0]=2 151 B10R1.61 O=C(O)C1=CC=NC=C1O CDS013887 [0,1,0,0,0,0|1,0,0]=2 152 B10R1.61 O=C(O)C1=NC=CN=C1Cl PH009862 [0,1,0,0,0,0|2,0,0]=3 153 B10R1.61 O=C([O-])C1=C(C=CC=C1)O S171824 [0,1,0,0,0,0|0,0,1]=2 154 B10R1.61 O=C([O-])C1=CC=CC=[N+]1[O-] S290874 [0,1,0,0,0,0|1,0,1]=3 155 B10R1.61 O=[N+]([O-])C1=C(C=CC=C1)S PH000267 [0,1,0,0,0,0|1,0,1]=3 156 B10R1.61 O=[N+]([O-])C1=CC=CC=C1[O-] S682810 [0,1,0,0,0,0|1,0,1]=3 157 B10R1.61 OB(O)C1=C(C=NC=C1)F CDS007991 [0,1,0,0,0,0|2,0,1]=4 158 B10R1.61 OB(O)C1=CC=CC=C1O CDS000901 [0,1,0,0,0,0|1,0,1]=3 159 B10R1.61 OB(O)C1=CN=CC=C1Cl CDS023251 [0,1,0,0,0,0|2,0,1]=4 160 B10R1.61 OC1=C(C=CC=C1)C(=S)S R465135 [0,1,0,0,0,0|0,2,0]=3 161 B10R1.113 BrC1=CC(=CC=C1)C(Br)Br S600709 [0,1,0,0,0,0|2,0,1]=4 162 B10R1.113 C=C(C)C1=CC(=CC=C1)C PH015479 [0,1,0,0,0,0|2,0,0]=3 163 B10R1.113 CC(=O)C1=CC=CC(=N1)C CDS003228 [0,1,0,0,0,0|2,0,0]=3 164 B10R1.113 CC(=O)C1=C[N+](=CC=C1)C S303313 [0,1,0,0,0,0|2,0,0]=3 165 B10R1.113 CC(C)C1=CC(=CC=C1)N CDS000639 [0,1,0,0,0,0|2,0,1]=4 166 B10R1.113 CC(C)C1=CC=CC(=C1)Br CDS003768 [0,1,0,0,0,0|2,0,1]=4 167 B10R1.113 CC(N)C1=CC=CC(=C1)O CDS012752 [0,1,0,0,0,0|2,0,1]=4 168 B10R1.113 CC(O)C1=CC=CC(=N1)N PH018818 [0,1,0,0,0,0|2,0,1]=4 169 B10R1.113 CC(O)C1=C[N+](=CC=C1)[O-] S668419 [0,1,0,0,0,0|2,0,1]=4 170 B10R1.113 CC1=CC(=CC=C1)C(C)N CDS020205 [0,1,0,0,0,0|2,0,1]=4 171 B10R1.113 CC1=CC(=CC=C1)[C@H](C)N CDS015842 [0,1,0,0,0,0|2,0,1]=4 172 B10R1.113 CC1=CC=CC(=C1)C(=S)N PH010828 [0,1,0,0,0,0|1,1,0]=3 173 B10R1.113 CC1=CC=CC(=C1)N(C)N PH012296 [0,1,0,0,0,0|3,0,0]=4 174 B10R1.113 CC1=CN=CC(=C1)B(O)O CDS020146 [0,1,0,0,0,0|2,0,1]=4 175 B10R1.113 CC1=NC(=CC=C1)C(=S)N S353418 [0,1,0,0,0,0|2,1,0]=4 176 B10R1.113 CC1=NC(=CC=N1)C(=O)O CBR01666 [0,1,0,0,0,0|2,0,0]=3 177 B10R1.113 CN(C)C1=CC=CC(=C1)Cl S428612 [0,1,0,0,0,0|3,0,0]=4 178 B10R1.113 CN(C)C1=CC=CC(=C1)N OTV000176 [0,1,0,0,0,0|3,0,0]=4 179 B10R1.113 CN(N)C1=CC=CC(=C1)Br PH012297 [0,1,0,0,0,0|3,0,0]=4 180 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O L169226 [0,1,0,0,0,0|1,0,0]=2 181 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O S414255 [0,1,0,0,0,0|1,0,0]=2 182 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N S626821 [0,1,0,0,0,0|2,0,0]=3 183 B10R1.113 FC1=CC=CC(=C1)C(F)F MNO000026 [0,1,0,0,0,0|2,0,1]=4 184 B10R1.113 N=C(N)C1=CC=CC(=C1)O PH015280 [0,1,0,0,0,0|2,0,0]=3 185 B10R1.113 NC(=O)C1=CC(=NC=C1)Br ADE000237 [0,1,0,0,0,0|2,0,0]=3 186 B10R1.113 NC(=O)C1=CC(=NC=C1)N ADE000162 [0,1,0,0,0,0|2,0,0]=3 187 B10R1.113 NC(=O)C1=CC=CC(=C1)Br TMT00344 [0,1,0,0,0,0|1,0,0]=2 188 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CDS003328 [0,1,0,0,0,0|1,0,0]=2 189 B10R1.113 NC(=O)C1=CC=CC(=N1)Cl MNO000062 [0,1,0,0,0,0|2,0,0]=3 190 B10R1.113 NC(=O)C1=NC(=CN=C1)Cl CBR02075 [0,1,0,0,0,0|3,0,0]=4 191 B10R1.113 NC(=O)C1=NC=CC(=C1)Br CDS022078 [0,1,0,0,0,0|2,0,0]=3 192 B10R1.113 NC(=O)C1=NC=CC(=C1)Cl ADE000335 [0,1,0,0,0,0|2,0,0]=3 193 B10R1.113 NC1=CC(=CC=C1)C(F)F MNO000180 [0,1,0,0,0,0|2,0,1]=4 194 B10R1.113 NC1=CC(=CC=C1)[N+](=O)[O-] R462284 [0,1,0,0,0,0|1,0,1]=3 195 B10R1.113 NC1=CC(=NC=C1)C(=O)O PHB00041 [0,1,0,0,0,0|1,0,0]=2 196 B10R1.113 NC1=CC=NC(=C1)C(=O)O CDS007808 [0,1,0,0,0,0|1,0,0]=2 197 B10R1.113 NC1=NC=CC(=C1)C(=O)O ADE000133 [0,1,0,0,0,0|1,0,0]=2 198 B10R1.113 O=C(Cl)C1=CC=CC(=C1)I CDS001158 [0,1,0,0,0,0|1,0,0]=2 199 B10R1.113 O=C(O)C1=CC(=NC=C1)O CDS003015 [0,1,0,0,0,0|1,0,0]=2 200 B10R1.113 O=C(O)C1=CC(=NC=N1)O S362735 [0,1,0,0,0,0|2,0,0]=3 201 B10R1.113 O=C(O)C1=C[N+](=CC=N1)[O-] PH009754 [0,1,0,0,0,0|2,0,0]=3 202 B10R1.113 O=C(O)C1=NC(=CC=C1)I ADE000333 [0,1,0,0,0,0|1,0,0]=2 203 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl ADE000290 [0,1,0,0,0,0|1,0,0]=2 204 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl CDS000043 [0,1,0,0,0,0|1,0,0]=2 205 B10R1.113 O=C(O)C1=NC=CC(=C1)I PHB00300 [0,1,0,0,0,0|1,0,0]=2 206 B10R1.113 O=C(O)C1=NC=CC(=C1)O CDS005228 [0,1,0,0,0,0|1,0,0]=2 207 B10R1.113 O=C([O-])C1=NC=CC(=C1)I ADE000263 [0,1,0,0,0,0|1,0,1]=3 208 B10R1.113 O=C1C=C(C=NN1)C(=O)O CDS022708 [0,1,0,0,0,0|2,0,0]=3 209 B10R1.113 O=C1C=CC=C(O1)C(=O)O CDS020731 [0,1,0,0,0,0|1,0,0]=2 210 B10R1.113 O=N(=O)C1=CN=CC(=C1)Br ANV00040 [0,1,0,0,0,0|2,0,1]=4 211 B10R1.113 OB(O)C1=CC(=NC=C1)Br BCH00001 [0,1,0,0,0,0|2,0,1]=4 212 B10R1.113 OB(O)C1=CC=CC(=N1)Cl CDS022634 [0,1,0,0,0,0|2,0,1]=4 213 B10R1.113 OB(O)C1=CC=NC(=C1)F CDS003936 [0,1,0,0,0,0|2,0,1]=4 214 B10R1.363 CC1(C=CCC=C1)C(=O)N T270628 [0,1,0,0,0,0|1,0,2]=4 215 B8R0.7 C=C/C=C/CCC(=O)O CVT00134 [0,0,1,0,0,0|0,0,2]=3 216 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [0,0,0,1,0,0|1,0,0]=2 217 B10R2.320 O=C1NC2C1C=CC=C2 T173932 [0,0,0,1,0,0|1,0,2]=4 218 B8R1.7 CC(=O)C1=CNC=C1 CDS015198 [0,0,0,0,1,0|2,0,0]=3 219 B8R1.7 CC(=O)C1=NC=CN1 CBR02095 [0,0,0,0,1,0|3,0,0]=4 220 B8R1.7 N=C(N)C1=CC=CO1 CBR00909 [0,0,0,0,1,0|3,0,0]=4 221 B8R1.7 NC(=O)C1=CC=CN1 CDS004399 [0,0,0,0,1,0|2,0,0]=3 222 B8R1.7 NC(=O)C1=CN=CS1 CDS020516 [0,0,0,0,1,0|3,0,0]=4 223 B8R1.7 NC(=O)C1=CSC=N1 CDS006757 [0,0,0,0,1,0|3,0,0]=4 224 B8R1.7 NC(=S)C1=CC=CN1 BOG00082 [0,0,0,0,1,0|2,1,0]=4 225 B8R1.7 NC(=S)C1=CC=CO1 BOG00126 [0,0,0,0,1,0|2,1,0]=4 226 B8R1.7 NC(=S)C1=CC=CS1 CDS014286 [0,0,0,0,1,0|2,1,0]=4 227 B8R1.7 NC(=S)C1=CSC=C1 CDS001408 [0,0,0,0,1,0|2,1,0]=4 228 B8R1.7 O=C(O)C1=CC=CO1 S927228 [0,0,0,0,1,0|1,0,0]=2 229 B8R1.7 O=C(O)C1=CC=NN1 CDS005690 [0,0,0,0,1,0|2,0,0]=3 230 B8R1.7 O=C(O)C1=CC=NS1 CDS010046 [0,0,0,0,1,0|2,0,0]=3 231 B8R1.7 O=C(O)C1=CN=CS1 CDS007958 [0,0,0,0,1,0|2,0,0]=3 232 B8R1.7 O=C(O)C1=CN=NN1 CDS001736 [0,0,0,0,1,0|3,0,0]=4 233 B8R1.7 O=C(O)C1=CNN=N1 CDS008829 [0,0,0,0,1,0|3,0,0]=4 234 B8R1.7 O=C(O)C1=CON=C1 CDS009962 [0,0,0,0,1,0|2,0,0]=3 235 B8R1.7 O=C(O)C1=CSN=C1 T312894 [0,0,0,0,1,0|2,0,0]=3 236 B8R1.7 O=C(O)C1=CSN=N1 CDS016592 [0,0,0,0,1,0|3,0,0]=4 237 B8R1.7 O=C(O)C1=NC=CN1 CDS019334 [0,0,0,0,1,0|2,0,0]=3 238 B8R1.7 O=C(O)C1=NON=C1 CDS009561 [0,0,0,0,1,0|3,0,0]=4 239 B8R1.7 O=C(O)C1C=CCO1 CDS025234 [0,0,0,0,1,0|1,0,2]=4 240 B10R1.18 BrC(Br)[Hg]C1=CC=CC=C1 S110507 [0,0,0,0,0,1|2,0,1]=4 241 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [0,0,0,0,0,1|2,0,0]=3 242 B10R1.18 CC(=O)CC1=CC=CC=N1 CDS009231 [0,0,0,0,0,1|2,0,0]=3 243 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [0,0,0,0,0,1|2,0,0]=3 244 B10R1.18 CC(=O)CC1=CN=CC=N1 CDS013843 [0,0,0,0,0,1|3,0,0]=4 245 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S596604 [0,0,0,0,0,1|2,0,0]=3 246 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S616583 [0,0,0,0,0,1|2,0,0]=3 247 B10R1.18 CC(=O)NC1=CC=CC=N1 S357146 [0,0,0,0,0,1|2,0,0]=3 248 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [0,0,0,0,0,1|3,0,0]=4 249 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [0,0,0,0,0,1|3,0,0]=4 250 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [0,0,0,0,0,1|3,0,0]=4 251 B10R1.18 C[N+](=CC1=CC=CC=C1)[O-] S387916 [0,0,0,0,0,1|2,0,1]=4 252 B10R1.18 NC(=O)CC1=CC=CC=N1 S561525 [0,0,0,0,0,1|2,0,0]=3 253 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 S501441 [0,0,0,0,0,1|2,0,0]=3 254 B10R1.18 O=C(Cl)SC1=CC=CC=C1 S561231 [0,0,0,0,0,1|1,0,0]=2 255 B10R1.18 O=C(O)CC1=CN=CC=N1 CDS003770 [0,0,0,0,0,1|2,0,0]=3 256 B10R1.18 O=C([O-])CC1=CN=CC=C1 S364703 [0,0,0,0,0,1|1,0,1]=3 257 B10R1.18 O=C([O-])C[N+]1=CC=CC=C1 S355224 [0,0,0,0,0,1|1,0,1]=3 258 B10R1.18 O=N(=O)CC1=CC=CC=C1 MNO000012 [0,0,0,0,0,1|1,0,1]=3 259 B7R1.3 CC1=CC=NC=C1 T256412 [2,0,0,0,0,0|1,0,1]=4 260 B7R1.3 CC1=CC=NC=C1 T330418 [2,0,0,0,0,0|1,0,1]=4 261 B7R1.3 NC1=CC=CC=C1 S698326 [2,0,0,0,0,0|1,0,0]=3 262 B7R1.3 NC1=CC=CC=N1 S822329 [2,0,0,0,0,0|2,0,0]=4 263 B7R1.3 O=C1C=CC=CN1 T160121 [2,0,0,0,0,0|1,0,0]=3 264 B7R1.3 O=C1C=CNC=C1 T161470 [2,0,0,0,0,0|1,0,0]=3 265 B7R1.3 O=C1C=CSC=C1 T162035 [2,0,0,0,0,0|1,0,0]=3 266 B7R1.3 OC1=CC=NC=C1 CDS013613 [2,0,0,0,0,0|1,0,0]=3 267 B7R1.3 S=C1C=CSC=C1 S874310 [2,0,0,0,0,0|1,1,0]=4 268 B7R1.3 [O-]C1=CC=CC=C1 CDS001581 [2,0,0,0,0,0|0,0,1]=3 269 B7R1.3 [S-]C1=CC=CC=C1 S578991 [2,0,0,0,0,0|0,1,0]=3 270 B9R0.2 C/C=C/C=C/C=C/C(=O)O S439819 [0,1,1,0,0,0|0,0,0]=2 271 B9R0.46 C/C=C/C/C=C/C(=O)OC S765929 [0,1,1,0,0,0|0,0,2]=4 272 B9R0.13 C/C=C/C=C(\C#N)/C(=O)O PH010529 [0,1,1,0,0,0|0,0,2]=4 273 B9R1.1 C(=O)C1=CC=C(C=N1)Cl CDS015696 [1,1,0,0,0,0|1,0,0]=3 274 B9R1.1 C(=O)C1=CC=C(C=N1)Cl SYX00294 [1,1,0,0,0,0|1,0,0]=3 275 B9R1.1 CC1=CC=C(C=C1)CS S369497 [1,1,0,0,0,0|0,1,1]=4 276 B9R1.1 CC1=CC=C(C=C1)S[TlH2] S828378 [1,1,0,0,0,0|2,0,0]=4 277 B9R1.1 CC1=CC=C(C=C1)[Hg]Cl S706736 [1,1,0,0,0,0|2,0,0]=4 278 B9R1.1 CC1=CC=C(N=C1)C=O SYX00325 [1,1,0,0,0,0|1,0,0]=3 279 B9R1.1 CNC1=CC=C(C=C1)N TMT00162 [1,1,0,0,0,0|2,0,0]=4 280 B9R1.1 CNC1=CC=C(C=C1)[O-] R580708 [1,1,0,0,0,0|2,0,0]=4 281 B9R1.1 CSC1=CC=C(C=C1)Cl S633658 [1,1,0,0,0,0|2,0,0]=4 282 B9R1.1 CSC1=CC=C(C=C1)N S418595 [1,1,0,0,0,0|2,0,0]=4 283 B9R1.1 NC1=NC=C(C=C1)CO MNO000168 [1,1,0,0,0,0|1,0,1]=4 284 B9R1.1 NCC1=CC=C(C=C1)F R750263 [1,1,0,0,0,0|1,0,1]=4 285 B9R1.1 NCC1=CC=C(C=C1)I CDS000797 [1,1,0,0,0,0|1,0,1]=4 286 B9R1.1 O=CC1=CC=C(C=N1)F CDS005163 [1,1,0,0,0,0|1,0,0]=3 287 B9R1.1 O=CC1=CC=C(N=C1)O CDS004063 [1,1,0,0,0,0|1,0,0]=3 288 B9R1.1 O=CC1=CNC(=O)C=C1 CDS007603 [1,1,0,0,0,0|1,0,0]=3 289 B9R1.1 [C-]#[N+]C1=CC=C(C=C1)F PH015011 [1,1,0,0,0,0|2,0,0]=4 290 B9R1.2 C#CC1=CC(=CC=C1)Br CDS007533 [1,1,0,0,0,0|1,0,1]=4 291 B9R1.2 C(=O)C1=CC=CC(=N1)F CDS021920 [1,1,0,0,0,0|1,0,0]=3 292 B9R1.2 CC1=CC(=CC=C1)[IH2]=O T330566 [1,1,0,0,0,0|1,0,0]=3 293 B9R1.2 CC1=CC(=CC=N1)CO L499730 [1,1,0,0,0,0|1,0,1]=4 294 B9R1.2 CC1=CC=CC(=C1)CS PH011231 [1,1,0,0,0,0|0,1,1]=4 295 B9R1.2 CC1=CN=CC(=C1)C=O CDS015706 [1,1,0,0,0,0|1,0,0]=3 296 B9R1.2 CCC1=CC=CC(=C1)Br CDS013673 [1,1,0,0,0,0|1,0,1]=4 297 B9R1.2 CNC1=CC(=CC=C1)N S604097 [1,1,0,0,0,0|2,0,0]=4 298 B9R1.2 COC1=CC=CC(=C1)N CDS000467 [1,1,0,0,0,0|2,0,0]=4 299 B9R1.2 CSC1=CC=CC(=C1)O KOB0118 [1,1,0,0,0,0|2,0,0]=4 300 B9R1.2 N#CC1=CC=CC(=C1)N S679151 [1,1,0,0,0,0|1,0,1]=4 301 B9R1.2 NCC1=CC(=CC=C1)O CDS016848 [1,1,0,0,0,0|1,0,1]=4 302 B9R1.2 O=CC1=CC(=CN=C1)Cl ADE000371 [1,1,0,0,0,0|1,0,0]=3 303 B9R1.2 O=CC1=CC(=CN=C1)I ADE000370 [1,1,0,0,0,0|1,0,0]=3 304 B9R1.2 O=CC1=CC=NC(=C1)O CDS008008 [1,1,0,0,0,0|1,0,0]=3 305 B9R1.2 OCC1=CC(=CN=C1)Cl MNO000182 [1,1,0,0,0,0|1,0,1]=4 306 B9R1.2 OCC1=CC(=CN=C1)I ADE000375 [1,1,0,0,0,0|1,0,1]=4 307 B9R1.2 OCC1=CC=NC(=C1)F MNO000064 [1,1,0,0,0,0|1,0,1]=4 308 B9R1.2 OCC1=CN=CC(=C1)F CDS021735 [1,1,0,0,0,0|1,0,1]=4 309 B9R1.2 OCC1=NC(=CC=C1)I ADE000341 [1,1,0,0,0,0|1,0,1]=4 310 B9R1.2 OCC1=NC=CC(=C1)Cl ADE000344 [1,1,0,0,0,0|1,0,1]=4 311 B9R1.8 C(=N/O)\C1=CC=CC=C1 S893145 [1,1,0,0,0,0|0,0,0]=2 312 B9R1.8 C(=O)NC1=CN=CC=C1 S243426 [1,1,0,0,0,0|1,0,0]=3 313 B9R1.8 C/C=C/C1=CC=CC=N1 PH007383 [1,1,0,0,0,0|2,0,0]=4 314 B9R1.8 CNNC1=CC=CC=C1 PH012261 [1,1,0,0,0,0|2,0,0]=4 315 B9R1.8 COCC1=CC=CC=N1 S363146 [1,1,0,0,0,0|1,0,1]=4 316 B9R1.8 Cl[Hg]CC1=CC=CC=C1 S810894 [1,1,0,0,0,0|1,0,1]=4 317 B9R1.8 I[Hg]CC1=CC=CC=C1 S838705 [1,1,0,0,0,0|1,0,1]=4 318 B9R1.8 NOCC1=CC=CC=C1 CDS001502 [1,1,0,0,0,0|0,0,1]=3 319 B9R1.8 O=C=NC1=CC=CN=C1 CDS004476 [1,1,0,0,0,0|1,0,1]=4 320 B9R1.8 OCCC1=CC=CN=C1 CDS008359 [1,1,0,0,0,0|1,0,1]=4 321 B9R1.8 OCC[N+]1=CC=CC=C1 T161055 [1,1,0,0,0,0|1,0,1]=4 322 B9R1.15 C(=O)C1=C(C=CC=C1)[O-] S17079 [1,1,0,0,0,0|0,0,0]=2 323 B9R1.15 CC1=C(C=CC=C1)NN R580260 [1,1,0,0,0,0|2,0,0]=4 324 B9R1.15 CC1=C(C=CC=C1)[IH2]=O T330531 [1,1,0,0,0,0|1,0,0]=3 325 B9R1.15 CC1=CN=CC=C1C=O CDS010214 [1,1,0,0,0,0|1,0,0]=3 326 B9R1.15 CNC1=C(C=CC=C1)F CDS000433 [1,1,0,0,0,0|2,0,0]=4 327 B9R1.15 COC1=CC=CC=C1N CDS000192 [1,1,0,0,0,0|2,0,0]=4 328 B9R1.15 N#[N+]C1=C(C=CC=C1)Cl R288675 [1,1,0,0,0,0|2,0,0]=4 329 B9R1.15 NC1=C(C=CN=C1)CO ADE000287 [1,1,0,0,0,0|1,0,1]=4 330 B9R1.15 NC1=C(C=NC=C1)C=O ADE000099 [1,1,0,0,0,0|1,0,0]=3 331 B9R1.15 NC1=C(N=CC=C1)C=O CDS022545 [1,1,0,0,0,0|1,0,0]=3 332 B9R1.15 NC1=CC=NC=C1CO ADE000311 [1,1,0,0,0,0|1,0,1]=4 333 B9R1.15 NC1=CN=CC=C1C=O ADE000254 [1,1,0,0,0,0|1,0,0]=3 334 B9R1.15 NC1=NC=CC=C1CO ADE000265 [1,1,0,0,0,0|1,0,1]=4 335 B9R1.15 NCC1=C(C=CC=C1)O CDS008020 [1,1,0,0,0,0|1,0,1]=4 336 B9R1.15 NCC1=CC=CC=C1Br T151114 [1,1,0,0,0,0|1,0,1]=4 337 B9R1.15 O=CC1=NC=CC=C1Br CDS005333 [1,1,0,0,0,0|1,0,0]=3 338 B9R1.15 OCC1=C(C=NC=C1)Cl MNO000070 [1,1,0,0,0,0|1,0,1]=4 339 B9R1.15 OCC1=C(C=NC=C1)F MNO000191 [1,1,0,0,0,0|1,0,1]=4 340 B9R1.15 OCC1=CC=CC=N1O S459240 [1,1,0,0,0,0|1,0,1]=4 341 B9R1.15 OCC1=CC=NC=C1Br MNO000077 [1,1,0,0,0,0|1,0,1]=4 342 B9R1.15 OCC1=NC=CC=C1O R578177 [1,1,0,0,0,0|1,0,1]=4 343 B9R1.11 C/C(=N/O)/C1=CC=CO1 S602906 [0,1,0,0,1,0|2,0,0]=4 344 B9R1.11 C/C(=N\O)/C1=CC=CN1 L166960 [0,1,0,0,1,0|2,0,0]=4 345 B9R1.11 CCC(=O)C1=CC=CN1 CDS000726 [0,1,0,0,1,0|2,0,0]=4 346 B9R1.11 CCC(=O)C1=CC=CO1 CDS001525 [0,1,0,0,1,0|2,0,0]=4 347 B9R1.11 COC(=O)C1=NNC=C1 CDS009495 [0,1,0,0,1,0|2,0,0]=4 348 B9R1.11 N/C(=N\O)/C1=CSC=C1 CDS017788 [0,1,0,0,1,0|2,0,0]=4 349 B9R1.35 CC(=O)C1=CC=C(S1)C S552038 [0,1,0,0,1,0|2,0,0]=4 350 B9R1.35 CC(=O)C1=CSC(=C1)Cl PHB00060 [0,1,0,0,1,0|2,0,0]=4 351 B9R1.35 CC1=CC(=CS1)C(=O)O SYX00379 [0,1,0,0,1,0|1,0,0]=3 352 B9R1.35 CC1=CC=C(O1)C(=O)[O-] R127981 [0,1,0,0,1,0|1,0,1]=4 353 B9R1.35 CC1=CNC(=N1)C(=O)O CBR02470 [0,1,0,0,1,0|2,0,0]=4 354 B9R1.35 CC1=CSC(=N1)C(=O)O CDS022513 [0,1,0,0,1,0|2,0,0]=4 355 B9R1.35 CC1=NC=C(S1)C(=O)O ANV00256 [0,1,0,0,1,0|2,0,0]=4 356 B9R1.35 CC1=NOC(=C1)C(=O)O PH000227 [0,1,0,0,1,0|2,0,0]=4 357 B9R1.35 NC(=O)C1=CC=C(S1)Br CBR00204 [0,1,0,0,1,0|2,0,0]=4 358 B9R1.35 NC1=CSC(=C1)C(=O)O CDS010170 [0,1,0,0,1,0|1,0,0]=3 359 B9R1.35 NC1=NC(=CS1)C(=O)O CDS003787 [0,1,0,0,1,0|2,0,0]=4 360 B9R1.35 NC1=NC=C(O1)C(=O)O CDS023546 [0,1,0,0,1,0|2,0,0]=4 361 B9R1.35 NC1=NC=C(S1)C(=O)O CDS004559 [0,1,0,0,1,0|2,0,0]=4 362 B9R1.35 O=C(Cl)C1=CC(=CS1)Br CDS013861 [0,1,0,0,1,0|2,0,0]=4 363 B9R1.35 O=C(O)C1=CC=C(O1)Cl CDS012743 [0,1,0,0,1,0|1,0,0]=3 364 B9R1.35 O=C(O)C1=CN=C(S1)Cl CDS005928 [0,1,0,0,1,0|2,0,0]=4 365 B9R1.35 O=C(O)C1=CNC(=N1)O CDS002053 [0,1,0,0,1,0|2,0,0]=4 366 B9R1.35 O=C(O)C1=CSC(=C1)Br CDS013228 [0,1,0,0,1,0|1,0,0]=3 367 B9R1.35 O=C(O)C1=CSC(=N1)Br CDS004762 [0,1,0,0,1,0|2,0,0]=4 368 B9R1.35 O=C(O)C1=CSC(=N1)Br SYX00342 [0,1,0,0,1,0|2,0,0]=4 369 B9R1.35 O=C(O)C1=CSC(=N1)Cl JRD0388 [0,1,0,0,1,0|2,0,0]=4 370 B9R1.35 O=C1NC=C(N1)C(=O)O CBR00002 [0,1,0,0,1,0|2,0,0]=4 371 B9R1.41 CC(=O)C1=CNC=C1C L164399 [0,1,0,0,1,0|2,0,0]=4 372 B9R1.41 CC1=C(C=CN1)C(=O)O CBR01791 [0,1,0,0,1,0|1,0,0]=3 373 B9R1.41 CC1=C(C=CS1)C(=O)O PH005181 [0,1,0,0,1,0|1,0,0]=3 374 B9R1.41 CC1=C(N=CS1)C(=O)O CDS007674 [0,1,0,0,1,0|2,0,0]=4 375 B9R1.41 CC1=C(NC=C1)C(=O)O T325260 [0,1,0,0,1,0|1,0,0]=3 376 B9R1.41 CC1=C(NC=N1)C(=O)O CDS007137 [0,1,0,0,1,0|2,0,0]=4 377 B9R1.41 CC1=C(ON=C1)C(=O)O CDS012084 [0,1,0,0,1,0|2,0,0]=4 378 B9R1.41 CC1=NSC=C1C(=O)O CVT00118 [0,1,0,0,1,0|2,0,0]=4 379 B9R1.41 CN1C=CC=C1C(=O)Cl PH016725 [0,1,0,0,1,0|2,0,0]=4 380 B9R1.41 NC(=O)C1=C(SC=C1)N CDS007582 [0,1,0,0,1,0|2,0,0]=4 381 B9R1.41 NC1=C(C=NN1)C(=O)O CDS005670 [0,1,0,0,1,0|2,0,0]=4 382 B9R1.41 NC1=NSC=C1C(=O)O CBR02439 [0,1,0,0,1,0|2,0,0]=4 383 B9R1.41 O=C(Cl)C1=C(C=CS1)Br PH010582 [0,1,0,0,1,0|2,0,0]=4 384 B9R1.41 O=C(Cl)C1=C(C=CS1)Cl CDS013694 [0,1,0,0,1,0|2,0,0]=4 385 B9R1.41 O=C(O)C1=C(C=CN1)Cl T266515 [0,1,0,0,1,0|1,0,0]=3 386 B9R1.41 O=C(O)C1=C(C=CO1)Br CDS020682 [0,1,0,0,1,0|1,0,0]=3 387 B9R1.41 O=C(O)C1=C(OC=C1)Cl PH008831 [0,1,0,0,1,0|1,0,0]=3 388 B9R1.41 O=C(O)C1=NNC=C1I R432806 [0,1,0,0,1,0|2,0,0]=4 389 B11R1.20 C=C(C)CC1=CC=C(C=C1)O PH007153 [0,1,0,0,0,1|2,0,0]=4 390 B11R1.20 CC(=CC1=CC=C(C=C1)Cl)C S428086 [0,1,0,0,0,1|2,0,0]=4 391 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl CDS004628 [0,1,0,0,0,1|1,0,0]=3 392 B11R1.20 CC(=O)CC1=CC=C(C=C1)O PH011294 [0,1,0,0,0,1|1,0,0]=3 393 B11R1.20 CC(=O)CC1=CC=C(C=N1)C CBR01484 [0,1,0,0,0,1|2,0,0]=4 394 B11R1.20 CC(=O)NC1=CC=C(C=C1)F S397075 [0,1,0,0,0,1|1,0,0]=3 395 B11R1.20 CC(=O)NC1=CC=C(C=C1)I S872970 [0,1,0,0,0,1|1,0,0]=3 396 B11R1.20 CC(=O)NC1=CC=C(C=C1)[O-] S829218 [0,1,0,0,0,1|1,0,0]=3 397 B11R1.20 CC(=O)NC1=CC=C(C=N1)F CDS020931 [0,1,0,0,0,1|2,0,0]=4 398 B11R1.20 CC(=O)NC1=NC=C(C=C1)C S803375 [0,1,0,0,0,1|2,0,0]=4 399 B11R1.20 CC(=O)SC1=CC=C(C=C1)C S836516 [0,1,0,0,0,1|1,0,0]=3 400 B11R1.20 CC1=CC=C(C=C1)CC(=O)Cl CDS008580 [0,1,0,0,0,1|1,0,0]=3 401 B11R1.20 CC1=CC=C(C=C1)CC(=O)N S536768 [0,1,0,0,0,1|1,0,0]=3 402 B11R1.20 CC1=CC=C(C=C1)NC(=N)N S614556 [0,1,0,0,0,1|2,0,0]=4 403 B11R1.20 CC1=CC=C(C=C1)NC(=N)N S862371 [0,1,0,0,0,1|2,0,0]=4 404 B11R1.20 CC1=CC=C(C=C1)NC(=O)N S365149 [0,1,0,0,0,1|1,0,0]=3 405 B11R1.20 CC1=CC=C(C=C1)NC(=S)N R612898 [0,1,0,0,0,1|1,1,0]=4 406 B11R1.20 CC1=CC=C(C=N1)CC(=O)O CDS019833 [0,1,0,0,0,1|1,0,0]=3 407 B11R1.20 CC1=CC=[N+](C=C1)CC(=O)N S242551 [0,1,0,0,0,1|2,0,0]=4 408 B11R1.20 N=C(N)NC1=CC=C(C=C1)F S614564 [0,1,0,0,0,1|2,0,0]=4 409 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl CDS011494 [0,1,0,0,0,1|1,0,0]=3 410 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl S441228 [0,1,0,0,0,1|1,0,0]=3 411 B11R1.20 NC(=O)NC1=CC=C(C=C1)F S601527 [0,1,0,0,0,1|1,0,0]=3 412 B11R1.20 NC(=S)CC1=CC=C(C=C1)Cl PH011776 [0,1,0,0,0,1|1,1,0]=4 413 B11R1.20 NC(=S)NC1=CC=C(C=C1)Br PH010901 [0,1,0,0,0,1|1,1,0]=4 414 B11R1.20 NC(=S)NC1=CC=C(C=C1)Cl PH010858 [0,1,0,0,0,1|1,1,0]=4 415 B11R1.20 NC1=CC=C(C=C1)CC(=S)O R466522 [0,1,0,0,0,1|0,1,0]=3 416 B11R1.20 O=C(Br)NC1=CC=C(C=C1)Br S280003 [0,1,0,0,0,1|1,0,0]=3 417 B11R1.20 O=C(Cl)SC1=CC=C(C=C1)Cl S592773 [0,1,0,0,0,1|1,0,0]=3 418 B11R1.20 O=C(O)CC1=CC=C(N=C1)Cl CDS003355 [0,1,0,0,0,1|1,0,0]=3 419 B11R1.20 S=C(Cl)OC1=CC=C(C=C1)Cl T341398 [0,1,0,0,0,1|1,1,0]=4 420 B11R1.20 S=C(Cl)SC1=CC=C(C=C1)Cl PH007816 [0,1,0,0,0,1|1,1,0]=4 421 B11R1.36 C/C(=C(\C)/C1=CC=CC=C1)/Br S877883 [0,1,0,0,0,1|2,0,0]=4 422 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 S881112 [0,1,0,0,0,1|1,0,0]=3 423 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 S392146 [0,1,0,0,0,1|1,0,0]=3 424 B11R1.36 CC(=O)N(C)C1=CC=CN=C1 T309508 [0,1,0,0,0,1|2,0,0]=4 425 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 PH007480 [0,1,0,0,0,1|1,0,0]=3 426 B11R1.36 CC(O)C(C)C1=CC=CC=C1 R157589 [0,1,0,0,0,1|1,0,1]=4 427 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313424 [0,1,0,0,0,1|1,0,1]=4 428 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313432 [0,1,0,0,0,1|1,0,1]=4 429 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S485527 [0,1,0,0,0,1|1,0,1]=4 430 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494054 [0,1,0,0,0,1|1,0,1]=4 431 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494062 [0,1,0,0,0,1|1,0,1]=4 432 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 CBR01201 [0,1,0,0,0,1|2,0,0]=4 433 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CDS003589 [0,1,0,0,0,1|1,0,0]=3 434 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 S684473 [0,1,0,0,0,1|0,0,0]=2 435 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 TMT00523 [0,1,0,0,0,1|0,0,0]=2 436 B11R1.36 O=P(O)C(O)C1=CC=CC=C1 S576263 [0,1,0,0,0,1|1,0,0]=3 437 B11R1.36 P(=O)([O-])C(O)C1=CC=CC=C1 S359920 [0,1,0,0,0,1|1,0,1]=4 438 B11R1.36 [C@@H](C)(O)[C@@H](C)C1=CC=CC=C1 L157201 [0,1,0,0,0,1|1,0,1]=4 439 B11R1.40 C=CC(=C)SC1=CC=CC=C1 S767840 [0,1,0,0,0,1|2,0,0]=4 440 B11R1.40 CCC(=O)OC1=CC=CC=C1 CDS000560 [0,1,0,0,0,1|1,0,0]=3 441 B11R1.40 CNC(=S)NC1=CC=CC=C1 S615188 [0,1,0,0,0,1|1,1,0]=4 442 B11R1.40 CO/C(=C/C1=CC=CC=C1)/C S722170 [0,1,0,0,0,1|1,0,0]=3 443 B11R1.40 CO/C(=N/C1=CC=CC=C1)/[O-] R466441 [0,1,0,0,0,1|0,0,1]=3 444 B11R1.40 COC(=N)CC1=CC=CC=C1 S671398 [0,1,0,0,0,1|1,0,0]=3 445 B11R1.40 COC(=O)CC1=CC=NC=C1 PH014598 [0,1,0,0,0,1|1,0,0]=3 446 B11R1.40 COC(=O)CC1=CN=CC=C1 S363855 [0,1,0,0,0,1|1,0,0]=3 447 B11R1.40 COC(=O)C[N+]1=CC=CN=C1 S225894 [0,1,0,0,0,1|2,0,0]=4 448 B11R1.40 COC(=O)NC1=CC=CC=C1 S717290 [0,1,0,0,0,1|0,0,0]=2 449 B11R1.40 COC(=O)NC1=CN=CC=C1 R427268 [0,1,0,0,0,1|1,0,0]=3 450 B11R1.40 CSC(=N)NC1=CC=CC=C1 S530859 [0,1,0,0,0,1|1,1,0]=4 451 B11R1.40 CSC(=S)NC1=CC=CC=C1 PH004233 [0,1,0,0,0,1|0,2,0]=4 452 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 BOG00118 [0,1,0,0,0,1|1,0,0]=3 453 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 CDS003635 [0,1,0,0,0,1|1,0,0]=3 454 B11R1.40 NCC(=O)NC1=CC=CC=C1 TMT00170 [0,1,0,0,0,1|1,0,0]=3 455 B11R1.40 NNC(=O)OC1=CC=CC=C1 PH009655 [0,1,0,0,0,1|1,0,0]=3 456 B11R1.40 O=C(CBr)NC1=CC=CC=C1 CDS009932 [0,1,0,0,0,1|1,0,0]=3 457 B11R1.40 O=C(CC1=CC=CC=C1)O[Ag] S287369 [0,1,0,0,0,1|0,0,0]=2 458 B11R1.40 O=C(NO)NC1=CC=CC=C1 S716790 [0,1,0,0,0,1|0,0,0]=2 459 B11R1.40 OC(CCl)CC1=CC=CC=C1 S825743 [0,1,0,0,0,1|1,0,1]=4 460 B11R1.86 CC(=O)CC1=C(C=CC=N1)C CBR00268 [0,1,0,0,0,1|2,0,0]=4 461 B11R1.86 CC(=O)CC1=CC=CC=C1Br CDS003545 [0,1,0,0,0,1|1,0,0]=3 462 B11R1.86 CC(=O)CC1=CC=CC=[N+]1C R433691 [0,1,0,0,0,1|2,0,0]=4 463 B11R1.86 CC(=O)C[N+]1=C(C=CC=C1)C OTV000875 [0,1,0,0,0,1|2,0,0]=4 464 B11R1.86 CC(=O)NC1=C(C=CC=C1)C S554383 [0,1,0,0,0,1|1,0,0]=3 465 B11R1.86 CC(=O)NC1=C(C=CN=C1)O ADE000679 [0,1,0,0,0,1|2,0,0]=4 466 B11R1.86 CC(=O)NC1=C(C=NC=C1)O ADE000677 [0,1,0,0,0,1|2,0,0]=4 467 B11R1.86 CC(=O)NC1=CC=CN=C1O ADE000688 [0,1,0,0,0,1|2,0,0]=4 468 B11R1.86 CC(=O)NC1=NC=CC=C1Cl T300071 [0,1,0,0,0,1|2,0,0]=4 469 B11R1.86 CC(=O)NC1=NC=CC=C1O ADE000678 [0,1,0,0,0,1|2,0,0]=4 470 B11R1.86 CC(=O)OC1=C(C=CC=C1)I KOB0112 [0,1,0,0,0,1|1,0,0]=3 471 B11R1.86 CC(=O)ON1C=CC=CC1=O T301086 [0,1,0,0,0,1|2,0,0]=4 472 B11R1.86 CC1=C(C=CC=C1)CC(=O)Cl PH014881 [0,1,0,0,0,1|1,0,0]=3 473 B11R1.86 CC1=CC=CC=C1NC(=O)N S435643 [0,1,0,0,0,1|1,0,0]=3 474 B11R1.86 N=C(N)CC1=C(C=CC=C1)Cl PH015478 [0,1,0,0,0,1|2,0,0]=4 475 B11R1.86 NC(=O)CC1=CC=CC=C1Br CDS005049 [0,1,0,0,0,1|1,0,0]=3 476 B11R1.86 NC(=O)CC1=CC=CC=C1Cl CDS011434 [0,1,0,0,0,1|1,0,0]=3 477 B11R1.86 NC(=O)CC1=CC=CC=C1N CDS012270 [0,1,0,0,0,1|1,0,0]=3 478 B11R1.86 NC(=O)CC1=CC=CC=C1O S668982 [0,1,0,0,0,1|1,0,0]=3 479 B11R1.86 NC(=O)NC1=C(C=CC=C1)Br PH011364 [0,1,0,0,0,1|1,0,0]=3 480 B11R1.86 NC(=O)NC1=CC=CC=C1Cl PH009853 [0,1,0,0,0,1|1,0,0]=3 481 B11R1.86 NC(=O)NC1=CC=CC=C1F S730572 [0,1,0,0,0,1|1,0,0]=3 482 B11R1.86 NC(=O)OC1=CC=CC=C1Cl PH009081 [0,1,0,0,0,1|1,0,0]=3 483 B11R1.86 NC1=C(C=CC=C1)CC(=O)O CDS003084 [0,1,0,0,0,1|0,0,0]=2 484 B11R1.86 O=C(O)CN1C=CC=CC1=O CDS010316 [0,1,0,0,0,1|1,0,0]=3 485 B11R1.86 O=C(O)CN1C=CC=NC1=O CBR00231 [0,1,0,0,0,1|2,0,0]=4 486 B11R1.157 CC(=O)CC1=CC(=CC=C1)C CDS017452 [0,1,0,0,0,1|1,0,0]=3 487 B11R1.157 CC(=O)CC1=CC=CC(=N1)C CBR00392 [0,1,0,0,0,1|2,0,0]=4 488 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br R647969 [0,1,0,0,0,1|1,0,0]=3 489 B11R1.157 CC(=O)NC1=CC(=CC=C1)I EME00232 [0,1,0,0,0,1|1,0,0]=3 490 B11R1.157 CC(=O)NC1=CC(=CC=C1)N R464198 [0,1,0,0,0,1|1,0,0]=3 491 B11R1.157 CC(=O)NC1=CC(=CC=N1)C ADE001301 [0,1,0,0,0,1|2,0,0]=4 492 B11R1.157 CC(=O)NC1=NC(=CC=C1)C S803367 [0,1,0,0,0,1|2,0,0]=4 493 B11R1.157 CC1=CC(=CC=C1)NC(=O)N S410233 [0,1,0,0,0,1|1,0,0]=3 494 B11R1.157 NC(=O)C[N+]1=CC=CC(=C1)F S914169 [0,1,0,0,0,1|2,0,0]=4 495 B11R1.157 NC(=O)NC1=CC(=CC=C1)I PH010485 [0,1,0,0,0,1|1,0,0]=3 496 B11R1.157 NC(=O)NC1=CC=CC(=C1)Cl S576476 [0,1,0,0,0,1|1,0,0]=3 497 B11R1.157 NC(=S)NC1=CC=CC(=C1)Cl S549614 [0,1,0,0,0,1|1,1,0]=4 498 B11R1.157 O=C([O-])CC1=CC(=CC=C1)Br S235490 [0,1,0,0,0,1|0,0,1]=3 499 B11R1.157 O=C([O-])C[N+]1=CC=CC(=C1)O PH007028 [0,1,0,0,0,1|1,0,1]=4 500 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 PH011646 [0,1,0,0,0,1|1,0,1]=4 501 B11R1.509 NS(=O)(=O)OC1=CC=CC=C1 PH008054 [0,1,0,0,0,1|1,0,1]=4 502 B11R1.509 O=P(O)(O)OC1=CC=CC=C1 CDS010546 [0,1,0,0,0,1|1,0,0]=3 503 B11R1.509 O=S(=O)([O-])CC1=CC=CC=C1 S808962 [0,1,0,0,0,1|1,0,1]=4 504 B11R1.852 COC(=O)N1C=CC=CC=C1 T168505 [0,1,0,0,0,1|1,0,0]=3 505 B11R1.3 C#CC1=CC=C(C=C1)B(O)O CDS007602 [0,2,0,0,0,0|1,0,1]=4 506 B11R1.3 C#CC1=CC=C(C=C1)C(=O)[O-] CDS000957 [0,2,0,0,0,0|0,0,1]=3 507 B11R1.3 CCC1=CC=C(C=C1)C(=O)N TMT00666 [0,2,0,0,0,0|1,0,0]=3 508 B11R1.3 CCC1=CC=C(C=C1)C(=S)N BOG00041 [0,2,0,0,0,0|1,1,0]=4 509 B11R1.3 CCC1=CC=C(C=C1)C(=S)N OTV000389 [0,2,0,0,0,0|1,1,0]=4 510 B11R1.3 CCC1=CC=C(C=C1)[N+](=O)[O-] R750689 [0,2,0,0,0,0|1,0,1]=4 511 B11R1.3 CCC1=NC=C(C=N1)C(=O)O CBR00401 [0,2,0,0,0,0|2,0,0]=4 512 B11R1.3 CNC1=NC=C(C=N1)C(=O)O CBR00047 [0,2,0,0,0,0|2,0,0]=4 513 B11R1.3 COC1=CC=C(C=C1)C(=N)N CDS006449 [0,2,0,0,0,0|2,0,0]=4 514 B11R1.3 COC1=CC=C(C=C1)[Te](=O)Cl S50289 [0,2,0,0,0,0|2,0,0]=4 515 B11R1.3 COC1=CN=C(C=N1)C(=O)O CDS021112 [0,2,0,0,0,0|2,0,0]=4 516 B11R1.3 COC1=NC=C(C=C1)C(=O)O CDS003134 [0,2,0,0,0,0|1,0,0]=3 517 B11R1.3 CSC1=CC=C(C=C1)C(=S)N BOG00226 [0,2,0,0,0,0|1,1,0]=4 518 B11R1.3 NC(=O)C1=CC=C(C=C1)CBr CDS007483 [0,2,0,0,0,0|1,0,0]=3 519 B11R1.3 NCC1=CC=C(C=C1)B(O)O CDS004781 [0,2,0,0,0,0|1,0,1]=4 520 B11R1.3 NSC1=CC=C(C=C1)[N+](=O)[O-] S201537 [0,2,0,0,0,0|1,0,1]=4 521 B11R1.3 NSC1=CC=C(C=C1)[N+](=O)[O-] S985945 [0,2,0,0,0,0|1,0,1]=4 522 B11R1.3 O=C(Cl)C1=CC=C(C=C1)CBr S283436 [0,2,0,0,0,0|1,0,0]=3 523 B11R1.3 O=C(O)C1=CC=C(N=C1)CBr CDS023271 [0,2,0,0,0,0|1,0,0]=3 524 B11R1.3 O=C([O-])C1=CC=C(C=C1)[Hg]O S560510 [0,2,0,0,0,0|0,0,1]=3 525 B11R1.3 O=[N+]([O-])C1=CC=C(C=C1)CI S534765 [0,2,0,0,0,0|1,0,1]=4 526 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)Br PH010299 [0,2,0,0,0,0|1,0,1]=4 527 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O OMC00049 [0,2,0,0,0,0|1,0,0]=3 528 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O OMC00050 [0,2,0,0,0,0|1,0,0]=3 529 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PH013111 [0,2,0,0,0,0|1,0,0]=3 530 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PH013337 [0,2,0,0,0,0|1,0,0]=3 531 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PH013753 [0,2,0,0,0,0|1,0,0]=3 532 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O R162280 [0,2,0,0,0,0|1,0,0]=3 533 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O R466972 [0,2,0,0,0,0|1,0,0]=3 534 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S430110 [0,2,0,0,0,0|1,0,0]=3 535 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S500577 [0,2,0,0,0,0|1,0,0]=3 536 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S500623 [0,2,0,0,0,0|1,0,0]=3 537 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S656747 [0,2,0,0,0,0|1,0,0]=3 538 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S822663 [0,2,0,0,0,0|1,0,0]=3 539 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862304 [0,2,0,0,0,0|1,0,0]=3 540 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862495 [0,2,0,0,0,0|1,0,0]=3 541 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862509 [0,2,0,0,0,0|1,0,0]=3 542 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862517 [0,2,0,0,0,0|1,0,0]=3 543 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862541 [0,2,0,0,0,0|1,0,0]=3 544 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862568 [0,2,0,0,0,0|1,0,0]=3 545 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S896683 [0,2,0,0,0,0|1,0,0]=3 546 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O T181021 [0,2,0,0,0,0|1,0,0]=3 547 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O T181307 [0,2,0,0,0,0|1,0,0]=3 548 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] CDS021472 [0,2,0,0,0,0|1,0,1]=4 549 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] R428396 [0,2,0,0,0,0|1,0,1]=4 550 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] R461695 [0,2,0,0,0,0|1,0,1]=4 551 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] R646989 [0,2,0,0,0,0|1,0,1]=4 552 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] R647012 [0,2,0,0,0,0|1,0,1]=4 553 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] R662836 [0,2,0,0,0,0|1,0,1]=4 554 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] R786624 [0,2,0,0,0,0|1,0,1]=4 555 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S22714 [0,2,0,0,0,0|1,0,1]=4 556 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S241970 [0,2,0,0,0,0|1,0,1]=4 557 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S244112 [0,2,0,0,0,0|1,0,1]=4 558 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S283258 [0,2,0,0,0,0|1,0,1]=4 559 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S283304 [0,2,0,0,0,0|1,0,1]=4 560 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S292257 [0,2,0,0,0,0|1,0,1]=4 561 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S312258 [0,2,0,0,0,0|1,0,1]=4 562 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S384585 [0,2,0,0,0,0|1,0,1]=4 563 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S47512 [0,2,0,0,0,0|1,0,1]=4 564 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S487325 [0,2,0,0,0,0|1,0,1]=4 565 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S638765 [0,2,0,0,0,0|1,0,1]=4 566 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S638862 [0,2,0,0,0,0|1,0,1]=4 567 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S64670 [0,2,0,0,0,0|1,0,1]=4 568 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S922897 [0,2,0,0,0,0|1,0,1]=4 569 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] T306266 [0,2,0,0,0,0|1,0,1]=4 570 B11R1.19 CC1=CC=C(C=N1)S(=O)(=O)O PH015233 [0,2,0,0,0,0|2,0,0]=4 571 B11R1.19 CS(=O)(=O)C1=CC=C(C=C1)N CDS012661 [0,2,0,0,0,0|1,0,1]=4 572 B11R1.19 NC1=CC=C(C=C1)S(=O)(=O)[S-] S47717 [0,2,0,0,0,0|1,0,1]=4 573 B11R1.19 NC1=CC=C(C=C1)S(=O)(=O)[S-] S47814 [0,2,0,0,0,0|1,0,1]=4 574 B11R1.19 NS(=O)(=O)C1=CC=C(C=C1)O PH006892 [0,2,0,0,0,0|1,0,1]=4 575 B11R1.19 O=P(O)(O)C1=CC=C(C=C1)Br S915874 [0,2,0,0,0,0|1,0,0]=3 576 B11R1.19 O=P(O)(O)C1=CC=C(C=C1)Cl S859192 [0,2,0,0,0,0|1,0,0]=3 577 B11R1.19 O=S(=O)([O-])C1=CC=C(C=C1)Br S714526 [0,2,0,0,0,0|1,0,1]=4 578 B11R1.19 O=S(=O)([O-])C1=CC=C(C=C1)Cl S415510 [0,2,0,0,0,0|1,0,1]=4 579 B11R1.19 O=S(=O)([O-])C1=CC=C(C=C1)O S573213 [0,2,0,0,0,0|1,0,1]=4 580 B11R1.19 O=S(=O)([S-])C1=CC=C(C=C1)Cl S47725 [0,2,0,0,0,0|1,0,1]=4 581 B11R1.21 C=C(C)C1=CC=C(C(=C1)Cl)Cl PH007056 [0,2,0,0,0,0|2,0,0]=4 582 B11R1.21 CC(=O)C1=CC(=C(C=C1)C)N CBR02053 [0,2,0,0,0,0|1,0,0]=3 583 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)O R174114 [0,2,0,0,0,0|1,0,0]=3 584 B11R1.21 CC(=O)C1=CC=C(C(=C1)F)O CDS002790 [0,2,0,0,0,0|1,0,0]=3 585 B11R1.21 CC(=O)C1=CC=C(C(=C1)N)Cl JRD0473 [0,2,0,0,0,0|1,0,0]=3 586 B11R1.21 CC(=O)C1=CC=C(C(=C1)N)F JRD0487 [0,2,0,0,0,0|1,0,0]=3 587 B11R1.21 CC(O)C1=CC=C(C(=C1)Cl)Cl S345539 [0,2,0,0,0,0|1,0,1]=4 588 B11R1.21 CC1=C(C=C(C=C1)B(O)O)N CDS003846 [0,2,0,0,0,0|1,0,1]=4 589 B11R1.21 CC1=C(C=C(C=C1)B(O)O)N CDS004788 [0,2,0,0,0,0|1,0,1]=4 590 B11R1.21 CC1=C(C=C(C=C1)C(=N)N)Cl PH014636 [0,2,0,0,0,0|2,0,0]=4 591 B11R1.21 CC1=C(C=C(C=C1)C(=N)N)F CDS015050 [0,2,0,0,0,0|2,0,0]=4 592 B11R1.21 CC1=C(C=C(C=C1)C(=S)N)F PH015302 [0,2,0,0,0,0|1,1,0]=4 593 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl R436089 [0,2,0,0,0,0|0,0,0]=2 594 B11R1.21 CC1=CC(=CC=C1I)C(=O)O PH011378 [0,2,0,0,0,0|0,0,0]=2 595 B11R1.21 CC1=CC=C(C=C1C)B(O)O CDS013650 [0,2,0,0,0,0|1,0,1]=4 596 B11R1.21 CC1=CC=C(C=C1C)C(=S)N BOG00231 [0,2,0,0,0,0|1,1,0]=4 597 B11R1.21 CC1=CC=C(C=C1Cl)C(=O)N S716782 [0,2,0,0,0,0|1,0,0]=3 598 B11R1.21 CC1=CC=C(C=C1I)[N+](=O)[O-] S432938 [0,2,0,0,0,0|1,0,1]=4 599 B11R1.21 CN1C=CC(=CC1=O)C(=O)O CBR00106 [0,2,0,0,0,0|1,0,0]=3 600 B11R1.21 CN1N=C(C=CC1=O)C(=O)O CBR00032 [0,2,0,0,0,0|2,0,0]=4 601 B11R1.21 NC(=O)C1=CC(=C(C=C1)F)N CBR01657 [0,2,0,0,0,0|1,0,0]=3 602 B11R1.21 NC(=O)C1=CC(=C(N=C1)Cl)Cl EME00445 [0,2,0,0,0,0|2,0,0]=4 603 B11R1.21 NC(=O)C1=CC=C(C(=C1)Cl)Cl PH011012 [0,2,0,0,0,0|1,0,0]=3 604 B11R1.21 NC(=S)C1=CC(=C(C=C1)F)Cl PH016195 [0,2,0,0,0,0|1,1,0]=4 605 B11R1.21 NC(=S)C1=CC=C(C(=C1)F)F BOG00008 [0,2,0,0,0,0|1,1,0]=4 606 B11R1.21 NC(=S)C1=CC=C(C(=C1)O)O BOG00242 [0,2,0,0,0,0|1,1,0]=4 607 B11R1.21 NC1=CC(=CC=C1Cl)B(O)O CDS020054 [0,2,0,0,0,0|1,0,1]=4 608 B11R1.21 NC1=CC(=CC=C1F)B(O)O BML00197 [0,2,0,0,0,0|1,0,1]=4 609 B11R1.21 NC1=NC=C(C=C1I)C(=O)O CVT00091 [0,2,0,0,0,0|1,0,0]=3 610 B11R1.21 O=C(O)C1=CC=C(C(=C1)O)Cl CDS020712 [0,2,0,0,0,0|0,0,0]=2 611 B11R1.21 O=C(O)C1=CC=C(C(=N1)Br)F CDS023920 [0,2,0,0,0,0|1,0,0]=3 612 B11R1.21 O=C(O)C1=CC=C(C(=N1)Cl)F MNO000118 [0,2,0,0,0,0|1,0,0]=3 613 B11R1.21 O=[N+]([O-])C1=CC=C(C(=C1)Cl)I S755303 [0,2,0,0,0,0|1,0,1]=4 614 B11R1.21 O=[N+]([O-])C1=CC=C(C(=C1)O)Br SYX00192 [0,2,0,0,0,0|1,0,1]=4 615 B11R1.21 OB(O)C1=CC=C(C(=C1)F)Br CDS000944 [0,2,0,0,0,0|1,0,1]=4 616 B11R1.21 OB(O)C1=CC=C(C(=C1)F)Br SYX00309 [0,2,0,0,0,0|1,0,1]=4 617 B11R1.21 OB(O)C1=CC=C(C(=C1)F)Cl CDS004650 [0,2,0,0,0,0|1,0,1]=4 618 B11R1.22 C/C(=N/O)/C1=CC=C(C=C1)Br PH008404 [0,2,0,0,0,0|1,0,0]=3 619 B11R1.22 C/C(=N\O)/C1=CC=C(C=C1)N PH010926 [0,2,0,0,0,0|1,0,0]=3 620 B11R1.22 C/C(=N\O)/C1=CC=C(C=C1)O PH004057 [0,2,0,0,0,0|1,0,0]=3 621 B11R1.22 C=CC(O)C1=CC=C(C=C1)Cl PH007653 [0,2,0,0,0,0|1,0,1]=4 622 B11R1.22 CC1=CC=C(C=C1)/C(=N/N)/C S323020 [0,2,0,0,0,0|2,0,0]=4 623 B11R1.22 CC1=CC=C(C=C1)/C(=N\O)/C S682802 [0,2,0,0,0,0|1,0,0]=3 624 B11R1.22 CC1=CC=C(C=C1)C(=O)C#N S34623 [0,2,0,0,0,0|1,0,0]=3 625 B11R1.22 CC1=CC=C(C=C1)S(=O)NN R279870 [0,2,0,0,0,0|2,0,0]=4 626 B11R1.22 CC1=CC=C(C=N1)C(=O)CCl PH019170 [0,2,0,0,0,0|2,0,0]=4 627 B11R1.22 CCC(=O)C1=CC=C(C=C1)N PH006875 [0,2,0,0,0,0|1,0,0]=3 628 B11R1.22 CCC(O)C1=CC=C(C=C1)Br S434892 [0,2,0,0,0,0|1,0,1]=4 629 B11R1.22 CCC(O)C1=CC=C(C=C1)Cl S434884 [0,2,0,0,0,0|1,0,1]=4 630 B11R1.22 CCC(O)C1=CC=C(C=C1)F S434876 [0,2,0,0,0,0|1,0,1]=4 631 B11R1.22 CC[C@@H](O)C1=CC=C(C=C1)Cl PH018690 [0,2,0,0,0,0|1,0,1]=4 632 B11R1.22 CC[C@H](O)C1=CC=C(C=C1)Cl PH018691 [0,2,0,0,0,0|1,0,1]=4 633 B11R1.22 CN(C=O)C1=CC=C(C=C1)N PH009942 [0,2,0,0,0,0|2,0,0]=4 634 B11R1.22 CNC(=O)C1=CC=C(C=C1)Br CDS003953 [0,2,0,0,0,0|1,0,0]=3 635 B11R1.22 CNC(=O)C1=CC=C(C=C1)C R580023 [0,2,0,0,0,0|1,0,0]=3 636 B11R1.22 CNC(=O)C1=CC=C(C=C1)F PH011769 [0,2,0,0,0,0|1,0,0]=3 637 B11R1.22 CNC(=O)C1=CC=C(C=C1)N CDS005578 [0,2,0,0,0,0|1,0,0]=3 638 B11R1.22 CNC(=O)C1=CC=C(C=N1)Br CDS007754 [0,2,0,0,0,0|2,0,0]=4 639 B11R1.22 CNC(=O)C1=CNC(=O)C=C1 EME00410 [0,2,0,0,0,0|2,0,0]=4 640 B11R1.22 COC(=O)C1=CC=C(C=N1)Br CDS003613 [0,2,0,0,0,0|1,0,0]=3 641 B11R1.22 COC(=O)C1=CC=C(C=N1)O CDS005288 [0,2,0,0,0,0|1,0,0]=3 642 B11R1.22 COC(=O)C1=CC=C(N=C1)Br CDS004061 [0,2,0,0,0,0|1,0,0]=3 643 B11R1.22 COC(=O)C1=CC=[N+](C=C1)[O-] S311014 [0,2,0,0,0,0|1,0,0]=3 644 B11R1.22 COC(=O)C1=CN=C(N=C1)N ANV00033 [0,2,0,0,0,0|2,0,0]=4 645 B11R1.22 COC(=O)C1=NC=C(C=N1)C PHB00068 [0,2,0,0,0,0|2,0,0]=4 646 B11R1.22 N#CC(=O)C1=CC=C(C=C1)Br S148997 [0,2,0,0,0,0|1,0,0]=3 647 B11R1.22 N#CC(O)C1=CC=C(C=C1)O PH015025 [0,2,0,0,0,0|1,0,1]=4 648 B11R1.22 N/C(=N/O)/C1=CC=C(C=C1)Cl S681636 [0,2,0,0,0,0|1,0,0]=3 649 B11R1.22 NC(CO)C1=CC=C(C=C1)Br CDS023854 [0,2,0,0,0,0|1,0,1]=4 650 B11R1.22 NC1=CC=C(N=C1)/C(=N/O)/N BOG00016 [0,2,0,0,0,0|2,0,0]=4 651 B11R1.22 NCC(=O)C1=CC=C(C=C1)Cl S138916 [0,2,0,0,0,0|1,0,0]=3 652 B11R1.22 NCC(=O)C1=CC=C(C=C1)F CDS003453 [0,2,0,0,0,0|1,0,0]=3 653 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)Br PH008811 [0,2,0,0,0,0|1,0,0]=3 654 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)Cl S52877 [0,2,0,0,0,0|1,0,0]=3 655 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)Cl S759082 [0,2,0,0,0,0|1,0,0]=3 656 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)F PH014766 [0,2,0,0,0,0|1,0,0]=3 657 B11R1.22 O/N=C(/O)\C1=CC=C(C=C1)O S566594 [0,2,0,0,0,0|0,0,1]=3 658 B11R1.22 O/N=C(\Cl)/C1=CC=C(C=C1)Br PH010308 [0,2,0,0,0,0|1,0,0]=3 659 B11R1.22 O=C(CBr)C1=CC=C(C=C1)O CDS013566 [0,2,0,0,0,0|1,0,0]=3 660 B11R1.22 O=C(CCl)C1=CC=C(C=C1)Br S852406 [0,2,0,0,0,0|1,0,0]=3 661 B11R1.22 O=C(CCl)C1=CC=C(C=C1)O S313750 [0,2,0,0,0,0|1,0,0]=3 662 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)F SYX00307 [0,2,0,0,0,0|1,0,0]=3 663 B11R1.166 CC(=O)C1=CC=C(C=C1O)Br JRD0831 [0,2,0,0,0,0|1,0,0]=3 664 B11R1.166 CC(=O)C1=CC=C(C=C1O)N CDS015316 [0,2,0,0,0,0|1,0,0]=3 665 B11R1.166 CC(=O)C1=NC=C(C=C1F)Br ADE000139 [0,2,0,0,0,0|2,0,0]=4 666 B11R1.166 CC(O)C1=CC=C(C=C1Cl)Cl R161403 [0,2,0,0,0,0|1,0,1]=4 667 B11R1.166 CC(O)C1=CC=C(C=C1Cl)Cl S463965 [0,2,0,0,0,0|1,0,1]=4 668 B11R1.166 CC1=C(C=C[N+](=C1)[O-])C(=O)O T161675 [0,2,0,0,0,0|1,0,0]=3 669 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)F CDS003230 [0,2,0,0,0,0|0,0,0]=2 670 B11R1.166 CC1=CC(=C(C=N1)C(=O)O)C CDS011445 [0,2,0,0,0,0|1,0,0]=3 671 B11R1.166 CC1=CC(=C(C=N1)C(=O)O)O PH011699 [0,2,0,0,0,0|1,0,0]=3 672 B11R1.166 CC1=CC(=CC=C1B(O)O)O CDS020052 [0,2,0,0,0,0|1,0,1]=4 673 B11R1.166 CC1=CC(=CC=C1[N+](=O)[O-])[O-] S399914 [0,2,0,0,0,0|1,0,1]=4 674 B11R1.166 CC1=CC(=CN=C1C(=O)O)Br CDS022505 [0,2,0,0,0,0|1,0,0]=3 675 B11R1.166 CC1=CC=C(C(=C1)O)C(=O)N CDS013983 [0,2,0,0,0,0|1,0,0]=3 676 B11R1.166 CC1=CC=C(C(=N1)C)C(=O)O CDS013247 [0,2,0,0,0,0|1,0,0]=3 677 B11R1.166 C[C@@H](O)C1=CC=C(C=C1Cl)F CDS023126 [0,2,0,0,0,0|1,0,1]=4 678 B11R1.166 C[C@H](O)C1=CC=C(C=C1Cl)F CDS023125 [0,2,0,0,0,0|1,0,1]=4 679 B11R1.166 NC(=O)C1=C(C=C(C=C1)N)Cl CBR00399 [0,2,0,0,0,0|1,0,0]=3 680 B11R1.166 NC(=O)C1=CC=C(C=C1N)Br BBO000418 [0,2,0,0,0,0|1,0,0]=3 681 B11R1.166 NC(=O)C1=CC=C(C=C1N)Cl BBO000415 [0,2,0,0,0,0|1,0,0]=3 682 B11R1.166 NC(=O)C1=NC=C(C=C1N)Br ADE000136 [0,2,0,0,0,0|2,0,0]=4 683 B11R1.166 NC(=S)C1=CC=C(C=C1Cl)N BOG00233 [0,2,0,0,0,0|1,1,0]=4 684 B11R1.166 NC(=S)C1=CC=C(C=C1N)Cl BOG00232 [0,2,0,0,0,0|1,1,0]=4 685 B11R1.166 NC1=CC(=C(C=C1)C(=O)O)N CDS000040 [0,2,0,0,0,0|0,0,0]=2 686 B11R1.166 NC1=CC(=CN=C1C(=O)O)Br ADE000138 [0,2,0,0,0,0|1,0,0]=3 687 B11R1.166 NC1=CC=C(C(=C1)F)[N+](=O)[O-] CDS014115 [0,2,0,0,0,0|1,0,1]=4 688 B11R1.166 NC1=CC=C(C(=C1)N)[N+](=O)[O-] S595098 [0,2,0,0,0,0|1,0,1]=4 689 B11R1.166 NC1=CC=C(C(=C1)O)C(=O)[O-] S561061 [0,2,0,0,0,0|0,0,1]=3 690 B11R1.166 NC1=NC(=O)NC=C1C(=O)O CDS009934 [0,2,0,0,0,0|2,0,0]=4 691 B11R1.166 O=C(O)C1=C(C=C(C=C1)O)Cl TMT00164 [0,2,0,0,0,0|0,0,0]=2 692 B11R1.166 O=C(O)C1=CC=C(C=C1F)O CDS002815 [0,2,0,0,0,0|0,0,0]=2 693 B11R1.166 O=C(O)C1=CC=C(C=C1O)S PH007026 [0,2,0,0,0,0|0,0,0]=2 694 B11R1.166 O=C(O)C1=CC=C(N=C1Cl)Br ADE000582 [0,2,0,0,0,0|1,0,0]=3 695 B11R1.166 O=C(O)C1=CNC(=S)NC1=O PH000413 [0,2,0,0,0,0|2,0,0]=4 696 B11R1.166 O=C(O)C1=NC=C(C=C1F)Br ADE000140 [0,2,0,0,0,0|1,0,0]=3 697 B11R1.166 O=[N+]([O-])C1=CC=C(C=C1F)Cl CDS003056 [0,2,0,0,0,0|1,0,1]=4 698 B11R1.166 OB(O)C1=C(C=C(C=C1)F)Cl CDS003472 [0,2,0,0,0,0|1,0,1]=4 699 B11R1.166 OB(O)C1=CC=C(C=C1F)Br SYX00006 [0,2,0,0,0,0|1,0,1]=4 700 B11R1.166 OB(O)C1=CC=C(C=C1F)Cl BML00162 [0,2,0,0,0,0|1,0,1]=4 701 B11R1.7 CNS(=O)(=O)C1=CC=CC=C1 PH010973 [0,2,0,0,0,0|1,0,1]=4 702 B11R1.7 COC(C)(C)C1=CC=CC=C1 S713104 [0,2,0,0,0,0|1,0,1]=4 703 B11R1.7 COS(=O)(=O)C1=CC=CC=C1 S544795 [0,2,0,0,0,0|1,0,0]=3 704 B11R1.7 C[Si](C)(CO)C1=CC=CC=C1 S832316 [0,2,0,0,0,0|1,1,0]=4 705 B11R1.7 O=S(=O)(N[Na])C1=CC=CC=C1 T283754 [0,2,0,0,0,0|1,0,1]=4 706 B11R1.12 CC/C(=N/O)/C1=CC=CC=C1 S799947 [0,2,0,0,0,0|1,0,0]=3 707 B11R1.12 CC/C(=N\O)/C1=CC=CC=C1 PH011544 [0,2,0,0,0,0|1,0,0]=3 708 B11R1.12 N#C/C(=C\O)/C1=CC=CC=C1 PH010982 [0,2,0,0,0,0|1,0,0]=3 709 B11R1.12 N#CC(C=O)C1=CC=CC=C1 PH011096 [0,2,0,0,0,0|1,0,1]=4 710 B11R1.12 O/C=C(\C=O)/C1=CC=NC=N1 TMT00404 [0,2,0,0,0,0|2,0,0]=4 711 B11R1.16 C(=O)NC(C)C1=CC=CC=C1 S520349 [0,2,0,0,0,0|1,0,1]=4 712 B11R1.16 C=CCC(=O)C1=CC=CC=C1 T216402 [0,2,0,0,0,0|1,0,0]=3 713 B11R1.16 CC(/C=N/O)C1=CC=CC=C1 S619094 [0,2,0,0,0,0|1,0,1]=4 714 B11R1.16 CCCS(=O)C1=CC=CC=C1 S799858 [0,2,0,0,0,0|2,0,0]=4 715 B11R1.16 CCNC(=O)C1=CC=CC=C1 S681059 [0,2,0,0,0,0|1,0,0]=3 716 B11R1.16 CCNC(=O)C1=CN=CC=C1 S435422 [0,2,0,0,0,0|2,0,0]=4 717 B11R1.16 CN/N=C(\N)/C1=CC=CC=C1 S32353 [0,2,0,0,0,0|2,0,0]=4 718 B11R1.16 CNCC(O)C1=CC=CC=C1 R158259 [0,2,0,0,0,0|1,0,1]=4 719 B11R1.16 CNCC(O)C1=CC=CC=C1 S321761 [0,2,0,0,0,0|1,0,1]=4 720 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 CDS006581 [0,2,0,0,0,0|1,0,1]=4 721 B11R1.16 CSCC(=O)C1=CC=CC=C1 S834017 [0,2,0,0,0,0|0,1,0]=3 722 B11R1.16 N#C/C=C(\Cl)/C1=CC=CC=C1 JRD0649 [0,2,0,0,0,0|2,0,0]=4 723 B11R1.16 N#C/C=C(\N)/C1=CC=CC=C1 PH006853 [0,2,0,0,0,0|2,0,0]=4 724 B11R1.16 N#CNC(=O)C1=CC=CC=C1 S923761 [0,2,0,0,0,0|1,0,0]=3 725 B11R1.16 O=C(C#C[Cu])C1=CC=CC=C1 R252387 [0,2,0,0,0,0|1,0,0]=3 726 B11R1.16 O=C(NCO)C1=CC=CC=C1 S403466 [0,2,0,0,0,0|0,0,0]=2 727 B11R1.16 O=C(SCO)C1=CC=CC=C1 PH006830 [0,2,0,0,0,0|0,0,0]=2 728 B11R1.16 ONCC(O)C1=CC=CC=C1 S662003 [0,2,0,0,0,0|0,0,2]=4 729 B11R1.23 CC1=CC(=CC=C1)C(=O)NN PH011383 [0,2,0,0,0,0|1,0,0]=3 730 B11R1.23 CCC(=O)C1=CC=CC(=C1)C PH014761 [0,2,0,0,0,0|1,0,0]=3 731 B11R1.23 CCC(=O)C1=CC=CC(=C1)N PH011160 [0,2,0,0,0,0|1,0,0]=3 732 B11R1.23 CCC(=O)C1=CC=CC(=C1)O PH010905 [0,2,0,0,0,0|1,0,0]=3 733 B11R1.23 CC[C@@H](O)C1=CC(=CC=C1)F PH018824 [0,2,0,0,0,0|1,0,1]=4 734 B11R1.23 CC[C@H](O)C1=CC(=CC=C1)F PH018897 [0,2,0,0,0,0|1,0,1]=4 735 B11R1.23 CNC(=O)C1=CC(=CC=C1)N CDS003178 [0,2,0,0,0,0|1,0,0]=3 736 B11R1.23 CNC(=O)C1=CC(=CC=C1)O EME00408 [0,2,0,0,0,0|1,0,0]=3 737 B11R1.23 CNC(=O)C1=CC(=CC=N1)Cl CDS004290 [0,2,0,0,0,0|2,0,0]=4 738 B11R1.23 CNC(=O)C1=CC(=NC=C1)Cl CBR00287 [0,2,0,0,0,0|2,0,0]=4 739 B11R1.23 CNC(=O)C1=CC=CC(=C1)C PH007559 [0,2,0,0,0,0|1,0,0]=3 740 B11R1.23 CNC(=O)C1=CC=CC(=C1)Cl PH011022 [0,2,0,0,0,0|1,0,0]=3 741 B11R1.23 COC(=O)C1=CC(=CC=N1)Br CDS014039 [0,2,0,0,0,0|1,0,0]=3 742 B11R1.23 COC(=O)C1=CC(=CC=N1)N CDS021624 [0,2,0,0,0,0|1,0,0]=3 743 B11R1.23 COC(=O)C1=CC(=NC=C1)I ADE000319 [0,2,0,0,0,0|1,0,0]=3 744 B11R1.23 COC(=O)C1=CC=CC(=C1)F CDS020886 [0,2,0,0,0,0|0,0,0]=2 745 B11R1.23 COC(=O)C1=CC=CC(=N1)N CDS005987 [0,2,0,0,0,0|1,0,0]=3 746 B11R1.23 COC(=O)C1=CN=CC(=C1)C PH016250 [0,2,0,0,0,0|1,0,0]=3 747 B11R1.23 COC(=O)C1=CN=CC(=C1)F CDS020854 [0,2,0,0,0,0|1,0,0]=3 748 B11R1.23 COC(=O)C1=C[N+](=CC=C1)C S385360 [0,2,0,0,0,0|1,0,0]=3 749 B11R1.23 COC(=O)C1=NC(=CC=C1)I ADE000338 [0,2,0,0,0,0|1,0,0]=3 750 B11R1.23 COC(=O)C1=NC=CC(=C1)Cl ADE000255 [0,2,0,0,0,0|1,0,0]=3 751 B11R1.23 COC(=O)C1=NC=CC(=C1)Cl ADE000348 [0,2,0,0,0,0|1,0,0]=3 752 B11R1.23 COC(=O)[N+]1=CC(=CC=C1)C R434086 [0,2,0,0,0,0|1,0,0]=3 753 B11R1.23 NNC(=O)C1=CC(=NC=C1)N ADE000173 [0,2,0,0,0,0|2,0,0]=4 754 B11R1.23 NNC(=O)C1=CC=CC(=C1)Cl PH009753 [0,2,0,0,0,0|1,0,0]=3 755 B11R1.23 NNC(=O)C1=CC=NC(=C1)Br CDS004845 [0,2,0,0,0,0|2,0,0]=4 756 B11R1.23 NNC(=O)C1=NC(=CC=C1)I ADE000345 [0,2,0,0,0,0|2,0,0]=4 757 B11R1.23 NNC(=O)C1=NC=CC(=C1)Cl ADE000343 [0,2,0,0,0,0|2,0,0]=4 758 B11R1.23 O=C(NO)C1=CC(=CC=C1)Cl PH010173 [0,2,0,0,0,0|0,0,0]=2 759 B11R1.23 OC1=CC=CC(=C1)C(CN)O TMT00167 [0,2,0,0,0,0|1,0,1]=4 760 B11R1.222 C/C(=N\O)/C1=C(C=CC=C1)N R739189 [0,2,0,0,0,0|1,0,0]=3 761 B11R1.222 CC1=C(C=CC=C1)C(=O)NN R435198 [0,2,0,0,0,0|1,0,0]=3 762 B11R1.222 CC1=C(C=CC=C1)C(=O)NN S618985 [0,2,0,0,0,0|1,0,0]=3 763 B11R1.222 CC1=C(N=CC=C1)/C(=N/O)/N BOG00017 [0,2,0,0,0,0|2,0,0]=4 764 B11R1.222 CC[C@H](O)C1=CC=CC=C1F PH018898 [0,2,0,0,0,0|1,0,1]=4 765 B11R1.222 CNC(=O)C1=C(C=CC=C1)N PH000108 [0,2,0,0,0,0|1,0,0]=3 766 B11R1.222 CNC(=O)C1=CC=CC=C1C PH005184 [0,2,0,0,0,0|1,0,0]=3 767 B11R1.222 CNC(=O)C1=CC=CC=C1S S662097 [0,2,0,0,0,0|1,0,0]=3 768 B11R1.222 CNC(=O)C1=CC=CN=C1Cl VBP00050 [0,2,0,0,0,0|2,0,0]=4 769 B11R1.222 CNC(=S)C1=C(C=CC=C1)N PH001535 [0,2,0,0,0,0|1,1,0]=4 770 B11R1.222 COC(=O)C1=C(C=NC=C1)O KOB0086 [0,2,0,0,0,0|1,0,0]=3 771 B11R1.222 COC(=O)C1=C(C=NN=C1)C PHB00238 [0,2,0,0,0,0|2,0,0]=4 772 B11R1.222 COC(=O)C1=CC=NC=C1N ANV00027 [0,2,0,0,0,0|1,0,0]=3 773 B11R1.222 COC(=O)C1=CN=CC=C1N PHB00050 [0,2,0,0,0,0|1,0,0]=3 774 B11R1.222 COC(=O)C1=NC=CC=C1O CDS005462 [0,2,0,0,0,0|1,0,0]=3 775 B11R1.222 N#CC(=O)C1=C(C=CC=C1)Cl R996521 [0,2,0,0,0,0|1,0,0]=3 776 B11R1.222 N#CC(=O)C1=C(C=CC=C1)F CDS020956 [0,2,0,0,0,0|1,0,0]=3 777 B11R1.222 N#CC(=O)C1=CC=CC=C1I S944971 [0,2,0,0,0,0|1,0,0]=3 778 B11R1.222 N/C(=N/O)/C1=C(C=CC=C1)O BOG00050 [0,2,0,0,0,0|1,0,0]=3 779 B11R1.222 NC1=C(C=CC=C1)C(=O)NO PH006839 [0,2,0,0,0,0|0,0,0]=2 780 B11R1.222 NCC(O)C1=CC=CC=C1Br CDS009497 [0,2,0,0,0,0|1,0,1]=4 781 B11R1.222 NNC(=O)C1=CC=CC=C1Br S945048 [0,2,0,0,0,0|1,0,0]=3 782 B11R1.222 NNC(=O)C1=CC=CC=C1I S550361 [0,2,0,0,0,0|1,0,0]=3 783 B11R1.87 CC(C)(O)C1=CC=CC=C1Br CDS020091 [0,2,0,0,0,0|1,0,1]=4 784 B11R1.87 CC1=C(C=CC=C1)S(=O)(=O)C PH003545 [0,2,0,0,0,0|1,0,1]=4 785 B11R1.87 CC1=CC=CC=C1S(=O)(=O)[O-] T330620 [0,2,0,0,0,0|1,0,1]=4 786 B11R1.87 CC1=CN=CC=C1S(=O)(=O)O PH015097 [0,2,0,0,0,0|2,0,0]=4 787 B11R1.87 CS(=O)(=O)C1=C(C=CC=C1)N CDS004952 [0,2,0,0,0,0|1,0,1]=4 788 B11R1.87 CS(=O)(=O)C1=CC=CC=C1O CDS005712 [0,2,0,0,0,0|1,0,1]=4 789 B11R1.87 O=S(=O)(O)C1=C(C=CC=C1)O CDS013549 [0,2,0,0,0,0|1,0,0]=3 790 B11R1.87 O=S(=O)([O-])C1=CC=CC=C1O T330655 [0,2,0,0,0,0|1,0,1]=4 791 B11R1.155 CC(C)(O)C1=CC(=CC=C1)Br BML00258 [0,2,0,0,0,0|1,0,1]=4 792 B11R1.155 CC1=CC(=CC=C1)P(=O)(O)O S915750 [0,2,0,0,0,0|1,0,0]=3 793 B11R1.155 CC1=CC(=NC=C1)S(=O)(=O)O PH015082 [0,2,0,0,0,0|2,0,0]=4 794 B11R1.155 CC1=CC=CC(=C1)S(=O)(=O)N CDS012908 [0,2,0,0,0,0|1,0,1]=4 795 B11R1.155 CC1=NC=CC(=C1)S(=O)(=O)O PH015380 [0,2,0,0,0,0|2,0,0]=4 796 B11R1.155 CS(=O)(=O)C1=CC(=CC=C1)Br PH011722 [0,2,0,0,0,0|1,0,1]=4 797 B11R1.155 NC1=CC(=CC=C1)S(=O)(=O)[O-] S436879 [0,2,0,0,0,0|1,0,1]=4 798 B11R1.155 NC1=CC=CC(=C1)S(=O)(=O)F CDS003405 [0,2,0,0,0,0|1,0,1]=4 799 B11R1.155 NS(=O)(=O)C1=CC(=CC=C1)Cl R436062 [0,2,0,0,0,0|1,0,1]=4 800 B11R1.155 O=S(=O)([S-])C1=CC(=CC=C1)Cl S64018 [0,2,0,0,0,0|1,0,1]=4 801 B11R1.53 C#CC1=CC=CC=C1B(O)O CDS023328 [0,2,0,0,0,0|1,0,1]=4 802 B11R1.53 C=CC1=CC=CC=C1B(O)O CDS001023 [0,2,0,0,0,0|1,0,1]=4 803 B11R1.53 C=CC1=CC=CC=C1C(=O)O CDS020003 [0,2,0,0,0,0|0,0,0]=2 804 B11R1.53 CC(=O)C1=C(C=CC=C1)C#N CDS017334 [0,2,0,0,0,0|1,0,0]=3 805 B11R1.53 CNC1=C(C=CC=C1)C(=O)N CDS003164 [0,2,0,0,0,0|1,0,0]=3 806 B11R1.53 CNC1=C(C=CC=C1)C(=O)O PH010971 [0,2,0,0,0,0|0,0,0]=2 807 B11R1.53 CNC1=CC=CC=C1C(=O)O R462381 [0,2,0,0,0,0|0,0,0]=2 808 B11R1.53 COC1=C(C=NC=N1)C(=O)O CDS021376 [0,2,0,0,0,0|2,0,0]=4 809 B11R1.53 COC1=CC=CC=C1C(=N)N PH017180 [0,2,0,0,0,0|2,0,0]=4 810 B11R1.53 COC1=CC=CC=C1C(=O)N S534935 [0,2,0,0,0,0|1,0,0]=3 811 B11R1.53 COC1=NC=CN=C1C(=O)O CDS021111 [0,2,0,0,0,0|2,0,0]=4 812 B11R1.53 N#CC1=CC=CC=C1C(=O)Cl CDS008574 [0,2,0,0,0,0|1,0,0]=3 813 B11R1.53 NSC1=C(C=CC=C1)[N+](=O)[O-] T161500 [0,2,0,0,0,0|1,0,1]=4 814 B11R1.53 O=C(O)C1=CC=CC=C1CO PH003279 [0,2,0,0,0,0|0,0,0]=2 815 B11R1.156 CC(=O)C1=C(C=CC=C1C)C PH014537 [0,2,0,0,0,0|1,0,0]=3 816 B11R1.156 CC1=CC=CC(=C1C(=O)Cl)C CDS003590 [0,2,0,0,0,0|1,0,0]=3 817 B11R1.156 CC1=CC=CC(=C1C(=O)O)Cl CDS000889 [0,2,0,0,0,0|0,0,0]=2 818 B11R1.156 CC1=CC=CC(=C1C(=O)O)F CDS007502 [0,2,0,0,0,0|0,0,0]=2 819 B11R1.156 CC1=CC=CC(=C1[N+](=O)[O-])F MNO000069 [0,2,0,0,0,0|1,0,1]=4 820 B11R1.156 CC1=CC=NC(=C1C(=O)O)Cl CDS023531 [0,2,0,0,0,0|1,0,0]=3 821 B11R1.156 NC(=O)C1=C(C=CC=C1N)F CDS011322 [0,2,0,0,0,0|1,0,0]=3 822 B11R1.156 NC(=S)C1=C(C=CC=C1F)F OTV000289 [0,2,0,0,0,0|1,1,0]=4 823 B11R1.156 NC1=C(C(=CC=C1)F)[N+](=O)[O-] CDS011868 [0,2,0,0,0,0|1,0,1]=4 824 B11R1.156 O=C(O)C1=C(C=CC=C1Br)O CDS023946 [0,2,0,0,0,0|0,0,0]=2 825 B11R1.156 O=C(O)C1=C(C=CC=C1Cl)O CDS023309 [0,2,0,0,0,0|0,0,0]=2 826 B11R1.156 O=C(O)C1=C(C=CN=C1Br)O CDS023702 [0,2,0,0,0,0|1,0,0]=3 827 B11R1.156 O=C(O)C1=C(C=NC=C1F)F CDS002726 [0,2,0,0,0,0|1,0,0]=3 828 B11R1.156 O=C([O-])C1=C(C=CC=C1O)O S560618 [0,2,0,0,0,0|0,0,1]=3 829 B11R1.156 O=[N+]([O-])C1=C(C=CC=C1O)F CDS004611 [0,2,0,0,0,0|1,0,1]=4 830 B11R1.156 OB(O)C1=C(C=CC=C1Cl)Cl CDS003181 [0,2,0,0,0,0|1,0,1]=4 831 B11R1.156 OB(O)C1=C(C=CC=C1Cl)O CDS024328 [0,2,0,0,0,0|1,0,1]=4 832 B11R1.159 CC(=O)C1=CC=CC(=C1Cl)Cl CDS003602 [0,2,0,0,0,0|1,0,0]=3 833 B11R1.159 CC(=O)C1=CC=CC(=C1N)O CDS000114 [0,2,0,0,0,0|1,0,0]=3 834 B11R1.159 CC1=C(C=CC=C1B(O)O)Cl CDS006288 [0,2,0,0,0,0|1,0,1]=4 835 B11R1.159 CC1=C(C=CC=C1C(=O)O)O PH005167 [0,2,0,0,0,0|0,0,0]=2 836 B11R1.159 CC1=C(C=CC=C1N)C(=O)N TMT00436 [0,2,0,0,0,0|1,0,0]=3 837 B11R1.159 CC1=CC=CC(=C1C)C(=O)Cl CDS001566 [0,2,0,0,0,0|1,0,0]=3 838 B11R1.159 CC1=CC=CC(=C1C)C(=O)N PH011109 [0,2,0,0,0,0|1,0,0]=3 839 B11R1.159 CC1=CC=CC(=C1Cl)C(=O)O CDS000445 [0,2,0,0,0,0|0,0,0]=2 840 B11R1.159 CC1=[N+](C(=CC=C1)C(=O)O)[O-] PH008188 [0,2,0,0,0,0|1,0,0]=3 841 B11R1.159 CN1C=CC=C(C1=O)C(=O)O CDS019650 [0,2,0,0,0,0|1,0,0]=3 842 B11R1.159 NC1=C(C(=CC=C1)[N+](=O)[O-])Cl CDS020839 [0,2,0,0,0,0|1,0,1]=4 843 B11R1.159 NC1=C(C=CC=C1Br)C(=O)O CDS004818 [0,2,0,0,0,0|0,0,0]=2 844 B11R1.159 NC1=C(C=CC=C1F)C(=O)O CDS000074 [0,2,0,0,0,0|0,0,0]=2 845 B11R1.159 NC1=C(C=CC=C1O)C(=O)O CDS000116 [0,2,0,0,0,0|0,0,0]=2 846 B11R1.159 O=C(Cl)C1=CC=CC(=C1Cl)Cl CDS001447 [0,2,0,0,0,0|1,0,0]=3 847 B11R1.159 O=C(O)C1=C(C(=NC=C1)Br)F CDS021224 [0,2,0,0,0,0|1,0,0]=3 848 B11R1.159 O=C(O)C1=C(C(=NC=C1)Br)I ADE000327 [0,2,0,0,0,0|1,0,0]=3 849 B11R1.159 O=C(O)C1=C(C(=NC=C1)Cl)O PH015440 [0,2,0,0,0,0|1,0,0]=3 850 B11R1.159 O=C(O)C1=CC=CC(=C1Br)F CDS002241 [0,2,0,0,0,0|0,0,0]=2 851 B11R1.159 O=C(O)C1=NC=NC(=C1Cl)Cl CDS021401 [0,2,0,0,0,0|2,0,0]=4 852 B11R1.159 O=[N+]([O-])C1=C(C(=CC=C1)Cl)O S577219 [0,2,0,0,0,0|1,0,1]=4 853 B11R1.159 O=[N+]([O-])C1=C(C(=CC=C1)O)O PH000226 [0,2,0,0,0,0|1,0,1]=4 854 B11R1.159 OB(O)C1=CC=CC(=C1Cl)F CDS011895 [0,2,0,0,0,0|1,0,1]=4 855 B11R1.159 OB(O)C1=CC=CC(=C1F)O CDS022372 [0,2,0,0,0,0|1,0,1]=4 856 B11R1.167 CC(=O)C1=CC(=CC=C1F)Br KOB0158 [0,2,0,0,0,0|1,0,0]=3 857 B11R1.167 CC(=O)C1=CC(=CN=C1Cl)Br ADE000790 [0,2,0,0,0,0|2,0,0]=4 858 B11R1.167 CC(=O)C1=CC(=CN=C1Cl)C ADE000737 [0,2,0,0,0,0|2,0,0]=4 859 B11R1.167 CC(=O)C1=CC(=CN=C1Cl)F ADE000775 [0,2,0,0,0,0|2,0,0]=4 860 B11R1.167 CC(=O)C1=CC(=CN=C1F)Br PHB00150 [0,2,0,0,0,0|2,0,0]=4 861 B11R1.167 CC(O)C1=C(C=CC(=C1)F)O CDS021193 [0,2,0,0,0,0|1,0,1]=4 862 B11R1.167 CC(O)C1=CC(=CC=C1Cl)Cl S546992 [0,2,0,0,0,0|1,0,1]=4 863 B11R1.167 CC1=CC(=C(C=C1)N)C(=O)N CDS003330 [0,2,0,0,0,0|1,0,0]=3 864 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)N PH010267 [0,2,0,0,0,0|1,0,0]=3 865 B11R1.167 CC1=CC=C(C(=C1)B(O)O)Cl CDS006317 [0,2,0,0,0,0|1,0,1]=4 866 B11R1.167 CC1=CC=C(C(=C1)C(=O)O)I CDS002953 [0,2,0,0,0,0|0,0,0]=2 867 B11R1.167 CC1=CC=C(C(=C1)[N+](=O)[O-])C S380059 [0,2,0,0,0,0|1,0,1]=4 868 B11R1.167 CC1=CC=C(C=C1C(=N)N)F PH015014 [0,2,0,0,0,0|2,0,0]=4 869 B11R1.167 CC1=CC=C(N=C1C(=O)O)Cl ADE001383 [0,2,0,0,0,0|1,0,0]=3 870 B11R1.167 CC1=CN=C(C(=C1)C(=O)O)Cl ADE000743 [0,2,0,0,0,0|1,0,0]=3 871 B11R1.167 CC1=CN=C(C(=C1)C(=O)O)N ADE000740 [0,2,0,0,0,0|1,0,0]=3 872 B11R1.167 CC1=CN=C(N=C1C(=O)O)Cl CDS021233 [0,2,0,0,0,0|2,0,0]=4 873 B11R1.167 CC1=NC(=C(C=C1)F)C(=O)O CDS024247 [0,2,0,0,0,0|1,0,0]=3 874 B11R1.167 CC1=NNC(=O)C(=C1)C(=O)O CDS005993 [0,2,0,0,0,0|2,0,0]=4 875 B11R1.167 NC(=O)C1=C(C=CC(=C1)Cl)N PH011240 [0,2,0,0,0,0|1,0,0]=3 876 B11R1.167 NC(=O)C1=C(C=CC(=C1)Cl)O PH010903 [0,2,0,0,0,0|1,0,0]=3 877 B11R1.167 NC(=O)C1=C(C=CC(=N1)Cl)Cl S47407 [0,2,0,0,0,0|2,0,0]=4 878 B11R1.167 NC(=O)C1=NC(=CC=C1Cl)Br CDS024201 [0,2,0,0,0,0|2,0,0]=4 879 B11R1.167 NC(=S)C1=CC(=CC=C1O)Br OTV000263 [0,2,0,0,0,0|1,1,0]=4 880 B11R1.167 NC1=C(C=C(C=C1)Br)C(=O)O T276405 [0,2,0,0,0,0|0,0,0]=2 881 B11R1.167 NC1=C(C=C(C=N1)I)C(=O)O CVT00041 [0,2,0,0,0,0|1,0,0]=3 882 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)Cl S437875 [0,2,0,0,0,0|0,0,0]=2 883 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)F CDS003065 [0,2,0,0,0,0|0,0,0]=2 884 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)I PH006123 [0,2,0,0,0,0|0,0,0]=2 885 B11R1.167 NC1=CC=C(C=C1C(=O)[O-])Br S837253 [0,2,0,0,0,0|0,0,1]=3 886 B11R1.167 NC1=CN=C(C=C1C(=O)O)Cl CDS012312 [0,2,0,0,0,0|1,0,0]=3 887 B11R1.167 NC1=CN=C(C=C1C(=O)O)F PH016197 [0,2,0,0,0,0|1,0,0]=3 888 B11R1.167 NC1=NC=C(N=C1C(=O)O)Br CDS020025 [0,2,0,0,0,0|2,0,0]=4 889 B11R1.167 O=C(Cl)C1=C(C=CC(=C1)Cl)Cl CDS000617 [0,2,0,0,0,0|1,0,0]=3 890 B11R1.167 O=C(Cl)C1=CC(=CC=C1I)Br R703230 [0,2,0,0,0,0|1,0,0]=3 891 B11R1.167 O=C(Cl)C1=CC(=CC=C1I)I PH001989 [0,2,0,0,0,0|1,0,0]=3 892 B11R1.167 O=C(O)C1=CC(=CN=C1Br)Cl CDS023033 [0,2,0,0,0,0|1,0,0]=3 893 B11R1.167 O=C(O)C1=CC(=CN=C1Cl)Cl ADE000187 [0,2,0,0,0,0|1,0,0]=3 894 B11R1.167 O=C(O)C1=CC(=CN=C1O)Br CDS003972 [0,2,0,0,0,0|1,0,0]=3 895 B11R1.167 O=C(O)C1=CC(=NC=C1F)Cl CDS022137 [0,2,0,0,0,0|1,0,0]=3 896 B11R1.167 O=C(O)C1=NC(=CC=C1Cl)Br CDS023919 [0,2,0,0,0,0|1,0,0]=3 897 B11R1.167 OB(O)C1=CC(=CC=C1Br)F BML00168 [0,2,0,0,0,0|1,0,1]=4 898 B11R1.167 OB(O)C1=CC(=CC=C1F)O CDS023639 [0,2,0,0,0,0|1,0,1]=4 899 B11R1.74 CC1=CC(=CC(=C1)B(O)O)F CDS004043 [0,2,0,0,0,0|1,0,1]=4 900 B11R1.74 CC1=CC(=CC(=C1)B(O)O)O CDS024139 [0,2,0,0,0,0|1,0,1]=4 901 B11R1.74 CC1=CC(=CC(=C1)C(=O)Cl)C CDS000426 [0,2,0,0,0,0|1,0,0]=3 902 B11R1.74 CC1=CC(=CC(=C1)C(=O)O)Br S17907 [0,2,0,0,0,0|0,0,0]=2 903 B11R1.74 CC1=CC(=CC(=C1)[N+](=O)[O-])N L170186 [0,2,0,0,0,0|1,0,1]=4 904 B11R1.74 CC1=CC(=O)C=C(N1)C(=O)O CBR02144 [0,2,0,0,0,0|1,0,0]=3 905 B11R1.74 CC1=CC(=O)C=C(O1)C(=O)O CBR01516 [0,2,0,0,0,0|1,0,0]=3 906 B11R1.74 N=C(N)C1=CC(=CC(=C1)F)F CDS005160 [0,2,0,0,0,0|2,0,0]=4 907 B11R1.74 NC(=O)C1=CC(=CC(=C1)O)O S360600 [0,2,0,0,0,0|1,0,0]=3 908 B11R1.74 NC1=CC(=CC(=C1)C(=O)O)O PH011754 [0,2,0,0,0,0|0,0,0]=2 909 B11R1.74 O=C(O)C1=CC(=NC(=C1)F)F CDS001979 [0,2,0,0,0,0|1,0,0]=3 910 B11R1.74 O=C(O)C1=CC(=NC(=N1)S)O S409146 [0,2,0,0,0,0|2,0,0]=4 911 B11R1.74 O=C(O)C1=NC(=CC(=N1)Cl)Cl CDS009668 [0,2,0,0,0,0|2,0,0]=4 912 B11R1.74 O=C1C=C(NC(=O)N1)C(=O)O R288055 [0,2,0,0,0,0|2,0,0]=4 913 B11R1.74 O=[N+]([O-])C1=CC(=CC(=C1)Br)Br S813974 [0,2,0,0,0,0|1,0,1]=4 914 B11R1.74 OB(O)C1=CC(=CC(=C1)F)O CDS007717 [0,2,0,0,0,0|1,0,1]=4 915 B11R1.266 CCC1=CC=CC(=C1)B(O)O SYX00037 [0,2,0,0,0,0|1,0,1]=4 916 B11R1.266 COC1=CC(=CC=C1)C(C)O S460761 [0,2,0,0,0,0|1,0,1]=4 917 B11R1.266 COC1=CC(=NC=C1)C(=O)N ADE000336 [0,2,0,0,0,0|2,0,0]=4 918 B11R1.266 COC1=CC(=NC=C1)C(=O)O ADE000258 [0,2,0,0,0,0|1,0,0]=3 919 B11R1.266 COC1=CC=CC(=N1)C(=O)N ADE000351 [0,2,0,0,0,0|2,0,0]=4 920 B11R1.266 COC1=CN=CC(=C1)C(=O)C ADE000464 [0,2,0,0,0,0|2,0,0]=4 921 B11R1.266 CSC1=CC=CC(=C1)[N+](=O)[O-] S549835 [0,2,0,0,0,0|1,0,1]=4 922 B11R1.266 N#CC1=CC(=CC=C1)C(=O)N CDS011401 [0,2,0,0,0,0|1,0,0]=3 923 B11R1.266 N#CC1=CC(=CC=N1)C(=O)O CDS017472 [0,2,0,0,0,0|1,0,0]=3 924 B11R1.266 N#CC1=CC=CC(=N1)C(=O)O CDS021105 [0,2,0,0,0,0|1,0,0]=3 925 B11R1.266 N#CC1=CC=NC(=C1)C(=O)O CDS015447 [0,2,0,0,0,0|1,0,0]=3 926 B11R1.266 NCC1=CC(=CC=C1)B(O)O CDS019607 [0,2,0,0,0,0|1,0,1]=4 927 B11R1.266 NNC1=CC(=CC=C1)C(=O)O CDS001221 [0,2,0,0,0,0|0,0,0]=2 928 B11R1.266 O=C(O)C1=CC=CC(=C1)CBr OTV000175 [0,2,0,0,0,0|0,0,0]=2 929 B11R1.266 O=C(O)C1=CC=CC(=C1)[Hg]Cl S881821 [0,2,0,0,0,0|0,0,0]=2 930 B11R1.266 O=CC1=NC(=CC=C1)C(=O)O CDS023380 [0,2,0,0,0,0|1,0,0]=3 931 B9R1.13 O=C(O)CC1=CNC=C1 CDS023068 [0,0,1,1,0,0|1,0,1]=4 932 B9R1.50 O=C1C=CC=CC=CC1 T179078 [0,0,1,1,0,0|1,0,0]=3 933 B9R1.148 O=S1(=O)C=CC=CC=C1 T176028 [0,0,1,1,0,0|1,0,1]=4 934 B11R2.10 BrP1OC2=C(O1)C=CC=C2 S626414 [0,0,0,1,0,1|2,0,0]=4 935 B11R2.10 CC1CC2=C(O1)C=CC=C2 S455830 [0,0,0,1,0,1|1,0,1]=4 936 B11R2.10 N1C(=NC2=C1C=CC=C2)C S447102 [0,0,0,1,0,1|2,0,0]=4 937 B11R2.10 O=C1NC2=NC=CC=C2O1 CDS005683 [0,0,0,1,0,1|1,0,0]=3 938 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000231 [0,0,0,1,0,1|0,1,0]=3 939 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000865 [0,0,0,1,0,1|0,1,0]=3 940 B11R2.10 S=C1OC2=C(O1)C=CC=C2 L162752 [0,0,0,1,0,1|0,1,0]=3 941 B11R2.10 [S-]C1=NC2=C(S1)C=CC=C2 S813435 [0,0,0,1,0,1|0,2,0]=4 942 B11R2.102 O=C1OC2C=CC=CC1C2 T174262 [0,0,0,1,0,1|0,0,2]=4 943 B11R2.1 BrC1=COC2=CC=CC=C12 CDS016824 [0,1,0,1,0,0|1,0,0]=3 944 B11R2.1 CC1=NNC2=CC=CC=C12 CDS006326 [0,1,0,1,0,0|2,0,0]=4 945 B11R2.1 CC1=NOC2=C1C=CC=C2 T328049 [0,1,0,1,0,0|1,0,0]=3 946 B11R2.1 ClC1=NOC2=C1C=CC=C2 PH002974 [0,1,0,1,0,0|1,0,0]=3 947 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000260 [0,1,0,1,0,0|1,1,0]=4 948 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000929 [0,1,0,1,0,0|1,1,0]=4 949 B11R2.1 NC1=NNC2=C1C=CC=C2 CDS014250 [0,1,0,1,0,0|2,0,0]=4 950 B11R2.1 NC1=NOC2=C1C=CC=C2 CDS013958 [0,1,0,1,0,0|1,0,0]=3 951 B11R2.1 NC1=NOC2=C1C=CC=N2 CBR00108 [0,1,0,1,0,0|2,0,0]=4 952 B11R2.1 NC1COC2=CC=CC=C12 CBR01411 [0,1,0,1,0,0|1,0,1]=4 953 B11R2.1 O=C1NCC2=C1C=CC=C2 CDS020611 [0,1,0,1,0,0|1,0,0]=3 954 B11R2.1 O=C1O[Hg]C2=C1C=CC=C2 S576360 [0,1,0,1,0,0|0,0,0]=2 955 B11R2.1 SC1=CNC2=C1C=CC=C2 CDS014121 [0,1,0,1,0,0|1,1,0]=4 956 B7R1.1 O=CC1=CC=NN1 CDS003145 [1,0,0,0,1,0|2,0,0]=4 957 B7R1.1 O=CC1=NNC=C1 CDS009918 [1,0,0,0,1,0|2,0,0]=4 958 B7R1.1 O=CC1=NOC=C1 CDS009683 [1,0,0,0,1,0|2,0,0]=4 959 B7R1.1 OCC1=CC=CN1 CDS009556 [1,0,0,0,1,0|1,0,1]=4 960 B11R1.91 C(=C\C1=CC=CC=C1)\C(=O)[O-] S303518 [0,0,0,0,0,2|0,0,1]=3 961 B11R1.91 C=C(C)CNC1=CC=CC=C1 S352047 [0,0,0,0,0,2|2,0,0]=4 962 B11R1.91 C=C(C)CSC1=CC=CC=C1 S614203 [0,0,0,0,0,2|2,0,0]=4 963 B11R1.91 C=C(Cl)CNC1=CC=CC=C1 PH010554 [0,0,0,0,0,2|2,0,0]=4 964 B11R1.91 C=C(Cl)CSC1=CC=CC=C1 S767883 [0,0,0,0,0,2|2,0,0]=4 965 B11R1.91 CC(=O)CSC1=CC=CC=C1 PH011676 [0,0,0,0,0,2|1,0,0]=3 966 B11R1.91 CC(=O)NCC1=NC=CC=C1 EME00285 [0,0,0,0,0,2|2,0,0]=4 967 B11R1.91 CC(=O)OCC1=CC=NC=C1 PH011000 [0,0,0,0,0,2|2,0,0]=4 968 B11R1.91 N=C(N)COC1=CC=CC=C1 PH014519 [0,0,0,0,0,2|2,0,0]=4 969 B11R1.91 N=C(N)NCC1=CC=CC=C1 CBR01532 [0,0,0,0,0,2|2,0,0]=4 970 B11R1.91 NC(=COC1=CC=CC=C1)N PH018935 [0,0,0,0,0,2|2,0,0]=4 971 B11R1.91 NC(=O)CC[N+]1=CC=CC=C1 S343315 [0,0,0,0,0,2|2,0,0]=4 972 B11R1.91 NC(=O)CNC1=CC=CC=C1 PH010726 [0,0,0,0,0,2|1,0,0]=3 973 B11R1.91 NC(=O)CSC1=CC=CC=C1 PH011181 [0,0,0,0,0,2|1,0,0]=3 974 B11R1.91 NC(=O)OCC1=CN=CC=C1 PH007236 [0,0,0,0,0,2|2,0,0]=4 975 B11R1.91 NC(=S)COC1=CC=CC=C1 OTV000098 [0,0,0,0,0,2|1,1,0]=4 976 B11R1.91 NC(=S)NCC1=CC=CC=C1 S385816 [0,0,0,0,0,2|1,1,0]=4 977 B11R1.91 NC(=[S+]CC1=CC=CC=C1)N S34720 [0,0,0,0,0,2|2,0,0]=4 978 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 S826065 [0,0,0,0,0,2|0,0,0]=2 979 B11R1.91 O=C(O)/C=C/C1=CC=CC=N1 CDS014259 [0,0,0,0,0,2|1,0,0]=3 980 B11R1.91 O=C(O)/C=C/C1=CC=NC=C1 S786993 [0,0,0,0,0,2|1,0,0]=3 981 B11R1.91 O=C(O)CCC1=CC=NC=C1 CDS002094 [0,0,0,0,0,2|1,0,0]=3 982 B11R1.91 O=C(O)CCC1=NC=CC=N1 S217417 [0,0,0,0,0,2|2,0,0]=4 983 B11R1.91 O=C(O)CCC1=NC=CN=C1 CDS022931 [0,0,0,0,0,2|2,0,0]=4 984 B11R1.91 O=C(O)CNC1=NC=CC=C1 R411434 [0,0,0,0,0,2|1,0,0]=3 985 B11R1.91 O=C(O)CSC1=CC=CC=N1 CDS002508 [0,0,0,0,0,2|1,0,0]=3 986 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S566357 [0,0,0,0,0,2|0,0,1]=3 987 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S573108 [0,0,0,0,0,2|0,0,1]=3 988 B11R1.91 O=C([O-])C#CC1=CC=CC=C1 S631582 [0,0,0,0,0,2|0,0,1]=3 989 B11R1.91 O=C([O-])COC1=CC=CC=C1 R257494 [0,0,0,0,0,2|0,0,1]=3 990 B11R1.91 O=C([O-])CSC1=CC=CC=C1 T288012 [0,0,0,0,0,2|0,0,1]=3 991 B11R1.91 O=P(O)OCC1=CC=CC=C1 S435015 [0,0,0,0,0,2|1,0,0]=3 992 B11R1.91 OB(O)O[Hg]C1=CC=CC=C1 S366137 [0,0,0,0,0,2|1,0,1]=4