0 B12R2.18 C=C1SC2=C(N1C)C=CC=C2 PH003997 [0,0,0,0,0,0|1,1,1]=3 1 B12R2.18 CC1=C(C2=CC=CN=C2N1)I PHB00180 [0,0,0,0,0,0|3,0,0]=3 2 B12R2.18 CC1=[N+](C2=C(S1)C=CC=C2)C S439762 [0,0,0,0,0,0|1,1,0]=2 3 B12R2.18 CC1=[N+](C2=C(S1)C=CC=C2)C S570850 [0,0,0,0,0,0|1,1,0]=2 4 B12R2.18 CC1CC2=C(N1C)C=CC=C2 S786780 [0,0,0,0,0,0|2,0,1]=3 5 B12R2.18 CN1C(=N)SC2=C1C=CC=C2 R306630 [0,0,0,0,0,0|2,1,0]=3 6 B12R2.18 CN1C(=NC2=C1C=CC=C2)N S11372 [0,0,0,0,0,0|3,0,0]=3 7 B12R2.18 CN1C(=O)NC2=CC=CC=C12 PH010060 [0,0,0,0,0,0|3,0,0]=3 8 B12R2.18 CN1C(=S)OC2=C1C=CC=C2 TMT00405 [0,0,0,0,0,0|2,0,0]=2 9 B12R2.18 CN1CC2=C(C1=O)C=CC=C2 S701564 [0,0,0,0,0,0|3,0,0]=3 10 B12R2.18 CN1SC2=C(C1=S)C=CC=C2 S875511 [0,0,0,0,0,0|2,1,0]=3 11 B12R2.18 C[N+]1=C(SC2=C1C=CC=C2)Cl S764973 [0,0,0,0,0,0|2,1,0]=3 12 B12R2.18 NC1C(=O)NC2=CC=CC=C12 CBR00797 [0,0,0,0,0,0|3,0,1]=4 13 B12R2.18 NN1C(=O)CC2=CC=CC=C12 PH002340 [0,0,0,0,0,0|4,0,0]=4 14 B12R2.18 O=C1CC2=C(N1O)C=CC=C2 PH003463 [0,0,0,0,0,0|4,0,0]=4 15 B12R2.18 O=C1NC2=C(C1O)C=CC=C2 PH010628 [0,0,0,0,0,0|3,0,1]=4 16 B11R2.1 BrC1=COC2=CC=CC=C12 CDS016824 [1,0,0,0,0,0|1,0,0]=2 17 B11R2.1 CC1=CN=C2N1C=CC=C2 SYX00420 [1,0,0,0,0,0|2,0,0]=3 18 B11R2.1 CC1=CSC2[NH+]1C=CC=C2 S697168 [1,0,0,0,0,0|1,1,1]=4 19 B11R2.1 CC1=NNC2=CC=CC=C12 CDS006326 [1,0,0,0,0,0|2,0,0]=3 20 B11R2.1 CC1=NOC2=C1C=CC=C2 T328049 [1,0,0,0,0,0|1,0,0]=2 21 B11R2.1 CN1C=NC2=CC=CN=C12 ADE001232 [1,0,0,0,0,0|3,0,0]=4 22 B11R2.1 C[N+]1=CSC2=CC=CC=C12 R785695 [1,0,0,0,0,0|1,1,0]=3 23 B11R2.1 ClC1=NOC2=C1C=CC=C2 PH002974 [1,0,0,0,0,0|2,0,0]=3 24 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000260 [1,0,0,0,0,0|2,1,0]=4 25 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000929 [1,0,0,0,0,0|2,1,0]=4 26 B11R2.1 NC1=NNC2=C1C=CC=C2 CDS014250 [1,0,0,0,0,0|3,0,0]=4 27 B11R2.1 NC1=NOC2=C1C=CC=C2 CDS013958 [1,0,0,0,0,0|2,0,0]=3 28 B11R2.1 NC1=NOC2=C1C=CC=N2 CBR00108 [1,0,0,0,0,0|3,0,0]=4 29 B11R2.1 NC1COC2=CC=CC=C12 CBR01411 [1,0,0,0,0,0|1,0,2]=4 30 B11R2.1 O=C1NCC2=C1C=CC=C2 CDS020611 [1,0,0,0,0,0|3,0,0]=4 31 B11R2.1 O=C1O[Hg]C2=C1C=CC=C2 S576360 [1,0,0,0,0,0|3,0,0]=4 32 B11R2.1 SC1=CNC2=C1C=CC=C2 CDS014121 [1,0,0,0,0,0|2,0,0]=3 33 B11R2.1 [O-][N+]1=CNC2=C1C=CC=C2 R429619 [1,0,0,0,0,0|3,0,0]=4 34 B11R2.10 BrP1OC2=C(O1)C=CC=C2 S626414 [1,0,0,0,0,0|3,0,0]=4 35 B11R2.10 CC1=NC2=CC=CN=C2N1 CBR01690 [1,0,0,0,0,0|3,0,0]=4 36 B11R2.10 CC1CC2=C(O1)C=CC=C2 S455830 [1,0,0,0,0,0|0,0,2]=3 37 B11R2.10 CN1CC2=CC=CC=C2C1 PH012966 [1,0,0,0,0,0|2,0,1]=4 38 B11R2.10 N1C(=NC2=C1C=CC=C2)C S447102 [1,0,0,0,0,0|2,0,0]=3 39 B11R2.10 O=C1NC2=NC=CC=C2O1 CDS005683 [1,0,0,0,0,0|3,0,0]=4 40 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000231 [1,0,0,0,0,0|2,0,0]=3 41 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000865 [1,0,0,0,0,0|2,0,0]=3 42 B11R2.10 S=C1OC2=C(O1)C=CC=C2 L162752 [1,0,0,0,0,0|2,0,0]=3 43 B11R2.10 [S-]C1=NC2=C(S1)C=CC=C2 S813435 [1,0,0,0,0,0|2,1,0]=4 44 B13R2.45 C(=O)C1=C(C2=C(O1)C=CC=C2)C L169501 [0,1,0,0,0,0|0,0,1]=2 45 B13R2.45 CCC1=[N+](C2=C(S1)C=CC=C2)C S264539 [0,1,0,0,0,0|1,1,0]=3 46 B13R2.45 CN1C(=NC2=C1C=CC=C2)C=O PH010767 [0,1,0,0,0,0|2,0,1]=4 47 B13R2.45 CN1C(=NC2=C1C=CC=C2)CCl T161810 [0,1,0,0,0,0|2,0,0]=3 48 B13R2.45 CN1C(=NC2=CC=CN=C12)CN PH019301 [0,1,0,0,0,0|3,0,0]=4 49 B13R2.45 CN1C2=CC=CC=C2N=C1CN CDS023403 [0,1,0,0,0,0|2,0,0]=3 50 B13R2.45 CN\1C2=C(C=CC=C2)[Se]/C1=N/N S872962 [0,1,0,0,0,0|2,1,0]=4 51 B13R2.45 CN\1C2=C(C=CC=C2)[Se]/C1=N/N S873055 [0,1,0,0,0,0|2,1,0]=4 52 B13R2.45 CSC1=[N+](C2=C(S1)C=CC=C2)C R438464 [0,1,0,0,0,0|1,1,0]=3 53 B13R2.45 CSC1=[N+](C2=C(S1)C=CC=C2)C S269042 [0,1,0,0,0,0|1,1,0]=3 54 B13R2.45 CSC1=[N+](C2=C(S1)C=CC=C2)C S397024 [0,1,0,0,0,0|1,1,0]=3 55 B13R2.45 C[N+]1=C(SC2=C1C=CC=C2)NN R128872 [0,1,0,0,0,0|2,1,0]=4 56 B13R2.45 N#CC1=C(C2=C(S1)C=CC=C2)N T138746 [0,1,0,0,0,0|1,1,1]=4 57 B13R2.45 N/C=C/1\CC2=C(C1=O)C=CC=C2 PH000641 [0,1,0,0,0,0|2,0,1]=4 58 B13R2.45 NCC1=C(C2=CC=CC=C2S1)Cl CBR01694 [0,1,0,0,0,0|1,1,0]=3 59 B13R2.135 CC1=C(C2=C(N1)N=CC=C2)C=O CDS023582 [0,1,0,0,0,0|2,0,1]=4 60 B13R2.135 CC1=C(C2=CC=CC=C2O1)C#N T327042 [0,1,0,0,0,0|0,0,1]=2 61 B13R2.135 CC1=C(C2=CC=CC=C2O1)C=O CDS002371 [0,1,0,0,0,0|0,0,1]=2 62 B13R2.135 CC1=C(N2C=CC=CC2=N1)CO CDS017565 [0,1,0,0,0,0|2,0,0]=3 63 B13R2.135 CCN1C(=NC2=C1C=CC=C2)Cl L202525 [0,1,0,0,0,0|3,0,0]=4 64 B13R2.135 CC[N+]1=C(SC2=C1C=CC=C2)C L201685 [0,1,0,0,0,0|1,1,0]=3 65 B13R2.135 CC[NH+]1C(=SC2=C1C=CC=C2)N S47563 [0,1,0,0,0,0|2,1,0]=4 66 B13R2.135 N1C(=O)/C(=N\O)/C2=C1C=CC=C2 T308250 [0,1,0,0,0,0|3,0,0]=4 67 B13R2.135 NCC1=C(NC2=CC=CC=C12)O PH019069 [0,1,0,0,0,0|2,0,0]=3 68 B13R2.135 O=C1NC2=CC=CC=C2N1CO PH007132 [0,1,0,0,0,0|3,0,0]=4 69 B13R2.135 O=C1SC2=C(N1CCl)C=CC=C2 R587516 [0,1,0,0,0,0|2,1,0]=4 70 B13R2.135 O=C1SC2=C(N1CO)C=CC=C2 R587532 [0,1,0,0,0,0|2,1,0]=4 71 B13R2.135 O=C1SC2=CC=CC=C2N1CCl R242918 [0,1,0,0,0,0|2,1,0]=4 72 B13R2.135 OCN1C(=S)OC2=C1C=CC=C2 R240605 [0,1,0,0,0,0|2,0,0]=3 73 B13R2.135 OCN1C(=S)OC2=C1C=CC=C2 R587117 [0,1,0,0,0,0|2,0,0]=3 74 B13R2.135 OCN1C(=S)SC2=C1C=CC=C2 R241830 [0,1,0,0,0,0|2,1,0]=4 75 B13R2.135 OCN1C(=S)SC2=C1C=CC=C2 R587044 [0,1,0,0,0,0|2,1,0]=4 76 B13R2.135 S=C1SC2=C(N1CCl)C=CC=C2 R587052 [0,1,0,0,0,0|2,1,0]=4 77 B13R2.359 CC1(C(=O)CC2=C1C=CC=C2)C PH008000 [0,1,0,0,0,0|2,0,1]=4 78 B13R2.3028 CC1=C(C2=C(O1)C=CC(=C2)N)C CDS024504 [0,1,0,0,0,0|0,0,0]=1 79 B13R2.3028 CN1C2=CC(=CC=C2N=C1Cl)Cl PH016051 [0,1,0,0,0,0|3,0,0]=4 80 B13R2.3028 N1C(=C(C2=C1C=CC(=C2)N)C)C S428590 [0,1,0,0,0,0|1,0,0]=2 81 B13R2.3085 C1(C(=O)C2=C(C1=O)C=CC=C2)C R152196 [0,1,0,0,0,0|2,0,1]=4 82 B13R2.3085 CC1=[N+](C2=C(N1C)C=CC=C2)C S30032 [0,1,0,0,0,0|2,0,0]=3 83 B13R2.3085 CC1C(=N)N(C2=C1C=CC=C2)C R101125 [0,1,0,0,0,0|2,0,1]=4 84 B13R2.3085 CC1C(=O)N(C2=C1C=CC=C2)C PH008863 [0,1,0,0,0,0|2,0,1]=4 85 B13R2.3085 CN1C(=O)C2=CC=CC=C2C1O PH000353 [0,1,0,0,0,0|3,0,0]=4 86 B13R2.3085 CN1C2=CC=CC=C2C(=C1O)N PH019068 [0,1,0,0,0,0|3,0,0]=4 87 B13R2.4825 CC1=C2C=CC=C(C2=NN1C)Br PHB00049 [0,1,0,0,0,0|2,0,0]=3 88 B13R2.4825 CC1=CC=CC2=C1NC(=C2C)C CDS014194 [0,1,0,0,0,0|1,0,0]=2 89 B13R2.4825 CC1=CC=CC2=C1NC(=O)C2=O S639125 [0,1,0,0,0,0|3,0,0]=4 90 B13R2.4825 N1C2=C(C=CC=C2C)C(C1C)C S356670 [0,1,0,0,0,0|1,0,2]=4 91 B13R2.4856 CC1=C(C2=C(O1)C=CNC2=O)C L299502 [0,1,0,0,0,0|1,0,0]=2 92 B13R2.4856 CC1=C(C2=C(O1)CCCC2=O)C CBR01101 [0,1,0,0,0,0|0,0,3]=4 93 B13R2.4856 CC1=C(C2=C(S1)N=CNC2=O)C OTV000327 [0,1,0,0,0,0|2,1,0]=4 94 B13R2.4856 CC1=C(C2=C(S1)N=CNC2=S)C OTV000596 [0,1,0,0,0,0|2,1,0]=4 95 B13R2.4856 CC1=CC=NC2=[N+]1C(=C(S2)C)C S139661 [0,1,0,0,0,0|2,1,0]=4 96 B13R2.4856 N1C(=O)C(=O)C2=C1C=CC=C2Cl S337161 [0,1,0,0,0,0|3,0,0]=4 97 B13R2.4856 O=C1NC2=C(C1=O)C(=CC=C2)Br PH016095 [0,1,0,0,0,0|3,0,0]=4 98 B13R2.4856 O=C1NC2=C(C1=O)C(=CC=C2)F CDS020844 [0,1,0,0,0,0|3,0,0]=4 99 B13R2.5190 CC1=CC=C2C(=O)C(=O)NC2=C1 CDS020596 [0,1,0,0,0,0|3,0,0]=4 100 B13R2.5190 CC1=NC2=C(N1C)C=CC(=C2)Cl PH003360 [0,1,0,0,0,0|2,0,0]=3 101 B13R2.5190 CN1C(=NC2=C1C=CC(=C2)F)Cl PH018763 [0,1,0,0,0,0|3,0,0]=4 102 B13R2.5190 CN1C(=O)CC2=C1C=CC(=C2)Cl PH009430 [0,1,0,0,0,0|3,0,0]=4 103 B13R2.5190 CN1C(=O)CC2=C1C=CC(=C2)O PH010625 [0,1,0,0,0,0|3,0,0]=4 104 B13R2.5190 CN1C2=CC=C(C=C2N=C1Cl)Cl PH018771 [0,1,0,0,0,0|3,0,0]=4 105 B13R2.5190 O=C1NC2=C(C1=O)C=CC(=C2)Br CDS000133 [0,1,0,0,0,0|3,0,0]=4 106 B13R2.5190 O=C1NC2=C(C1=O)C=CC(=C2)I T281182 [0,1,0,0,0,0|3,0,0]=4 107 B13R2.5190 O=C1NC2=CC(=CC=C2C1=O)Cl CDS000344 [0,1,0,0,0,0|3,0,0]=4 108 B13R2.5190 O=C1NC2=CC(=CC=C2C1=O)F PH010436 [0,1,0,0,0,0|3,0,0]=4 109 B11R1.36 C(C)(N)[C@@H](C)C1=CC=CC=C1 S327697 [0,0,1,0,0,0|1,0,2]=4 110 B11R1.36 C(C)(N)[C@H](C)C1=CC=CC=C1 S316911 [0,0,1,0,0,0|1,0,2]=4 111 B11R1.36 C/C(=C(\C)/C1=CC=CC=C1)/Br S877883 [0,0,1,0,0,0|1,0,0]=2 112 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 S881112 [0,0,1,0,0,0|0,0,2]=3 113 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 S392146 [0,0,1,0,0,0|1,0,1]=3 114 B11R1.36 CC(=O)N(C)C1=CC=CN=C1 T309508 [0,0,1,0,0,0|2,0,1]=4 115 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 PH007480 [0,0,1,0,0,0|1,0,2]=4 116 B11R1.36 CC(C)C(C)C1=CC=CC=C1 S316091 [0,0,1,0,0,0|1,0,2]=4 117 B11R1.36 CC(C1=CC=CC=C1)N(C)C CDS001551 [0,0,1,0,0,0|2,0,1]=4 118 B11R1.36 CC(O)C(C)C1=CC=CC=C1 R157589 [0,0,1,0,0,0|0,0,2]=3 119 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313424 [0,0,1,0,0,0|0,0,2]=3 120 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313432 [0,0,1,0,0,0|0,0,2]=3 121 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S485527 [0,0,1,0,0,0|0,0,2]=3 122 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494054 [0,0,1,0,0,0|0,0,2]=3 123 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494062 [0,0,1,0,0,0|0,0,2]=3 124 B11R1.36 CN(N)C(=N)C1=CC=CC=C1 S32361 [0,0,1,0,0,0|3,0,0]=4 125 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 S684473 [0,0,1,0,0,0|2,0,1]=4 126 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 TMT00523 [0,0,1,0,0,0|2,0,1]=4 127 B11R1.36 [C@@H](C)(O)[C@@H](C)C1=CC=CC=C1 L157201 [0,0,1,0,0,0|0,0,2]=3 128 B11R1.40 C=CC(=C)SC1=CC=CC=C1 S767840 [0,0,1,0,0,0|0,1,2]=4 129 B11R1.40 CCC(=O)OC1=CC=CC=C1 CDS000560 [0,0,1,0,0,0|1,0,1]=3 130 B11R1.40 CCC(C)NC1=CC=CC=C1 S372293 [0,0,1,0,0,0|1,0,2]=4 131 B11R1.40 CCN(C)CC1=CC=CC=C1 PH012025 [0,0,1,0,0,0|2,0,1]=4 132 B11R1.40 CNC(=S)NC1=CC=CC=C1 S615188 [0,0,1,0,0,0|3,0,0]=4 133 B11R1.40 CO/C(=C/C1=CC=CC=C1)/C S722170 [0,0,1,0,0,0|2,0,0]=3 134 B11R1.40 CO/C(=N/C1=CC=CC=C1)/[O-] R466441 [0,0,1,0,0,0|3,0,0]=4 135 B11R1.40 COC(=N)CC1=CC=CC=C1 S671398 [0,0,1,0,0,0|3,0,0]=4 136 B11R1.40 COC(=O)NC1=CC=CC=C1 S717290 [0,0,1,0,0,0|3,0,0]=4 137 B11R1.40 CSC(=N)NC1=CC=CC=C1 S530859 [0,0,1,0,0,0|3,0,0]=4 138 B11R1.40 CSC(=S)NC1=CC=CC=C1 PH004233 [0,0,1,0,0,0|3,0,0]=4 139 B11R1.40 NNC(=O)OC1=CC=CC=C1 PH009655 [0,0,1,0,0,0|3,0,0]=4 140 B11R1.41 CCC1=C(C=CC=C1)NC=O S623350 [0,0,1,0,0,0|2,0,1]=4 141 B11R1.41 CCOC1=CC=CN=C1NC VBP00005 [0,0,1,0,0,0|2,0,1]=4 142 B11R1.41 COC1=CC=CC=C1CSC S697931 [0,0,1,0,0,0|3,0,0]=4 143 B11R1.222 C/C(=N\O)/C1=C(C=CC=C1)N R739189 [0,0,1,0,0,0|3,0,0]=4 144 B11R1.222 CNC(=O)C1=C(C=CC=C1)N PH000108 [0,0,1,0,0,0|3,0,0]=4 145 B11R1.222 CNC(=O)C1=CC=CC=C1C PH005184 [0,0,1,0,0,0|3,0,0]=4 146 B11R1.222 CNC(=O)C1=CC=CC=C1S S662097 [0,0,1,0,0,0|2,1,0]=4 147 B11R1.222 CNC(=S)C1=C(C=CC=C1)N PH001535 [0,0,1,0,0,0|3,0,0]=4 148 B11R1.222 COC(=O)C1=C(C=NC=C1)O KOB0086 [0,0,1,0,0,0|3,0,0]=4 149 B11R1.222 COC(=O)C1=NC=CC=C1O CDS005462 [0,0,1,0,0,0|3,0,0]=4 150 B11R1.222 N/C(=N/O)/C1=C(C=CC=C1)O BOG00050 [0,0,1,0,0,0|3,0,0]=4 151 B13R2.32 CC1=C(C2=C(C=CC=C2)C=C1)N S779156 [0,0,0,0,0,1|2,0,0]=3 152 B13R2.32 CC1=C(C2=C(C=CC=C2)N=C1)C PH006874 [0,0,0,0,0,1|1,0,0]=2 153 B13R2.32 CC1=C(C=NC2=C1C=CC=C2)N R262064 [0,0,0,0,0,1|2,0,0]=3 154 B13R2.32 CC1=[N+](C2=C(C=CC=C2)C=C1)C S11313 [0,0,0,0,0,1|2,0,0]=3 155 B13R2.32 CC1=[N+](C2=C(C=CC=C2)C=C1)C S832863 [0,0,0,0,0,1|2,0,0]=3 156 B13R2.32 CC1=[N+](C2=C(C=CC=C2)N=C1)[O-] PH008273 [0,0,0,0,0,1|3,0,0]=4 157 B13R2.32 CC1COC2=C(C1O)C=CC=C2 PH009239 [0,0,0,0,0,1|1,0,2]=4 158 B13R2.32 CN1C(=O)CSC2=CC=CC=C12 T313084 [0,0,0,0,0,1|2,1,0]=4 159 B13R2.32 CN1C(=S)C=CC2=C1C=CC=C2 S628654 [0,0,0,0,0,1|3,0,0]=4 160 B13R2.32 CN1C=NC2=CC=CC=C2C1=O PH003333 [0,0,0,0,0,1|3,0,0]=4 161 B13R2.32 CN1N=NC2=CC=CC=C2C1=S PH007440 [0,0,0,0,0,1|3,0,0]=4 162 B13R2.32 ClC1=C(C2=CC=CC=C2N=C1)Br BBO000622 [0,0,0,0,0,1|3,0,0]=4 163 B13R2.32 ClC1=C(C=NC2=C1C=CC=C2)I SYX00306 [0,0,0,0,0,1|3,0,0]=4 164 B13R2.32 ClC1=C(C=NC2=CC=CC=C12)Br BBO000332 [0,0,0,0,0,1|3,0,0]=4 165 B13R2.32 NC1=C(C2=C(C=CC=C2)C=C1)Cl S287989 [0,0,0,0,0,1|3,0,0]=4 166 B13R2.32 NC1=C(C2=CC=CC=C2C=C1)O CDS000188 [0,0,0,0,0,1|3,0,0]=4 167 B13R2.32 NC1=C(C=NC2=C1C=CC=C2)Br BBO000629 [0,0,0,0,0,1|3,0,0]=4 168 B13R2.32 OC1=C(C=NC2=C1C=CC=C2)I SYX00005 [0,0,0,0,0,1|3,0,0]=4 169 B13R2.32 OC1=C(C=NC2=CC=CC=C12)Br BBO000325 [0,0,0,0,0,1|3,0,0]=4 170 B13R2.328 CC1=CC(=C2C=CC=NC2=N1)Cl MNO000097 [0,0,0,0,0,1|3,0,0]=4 171 B13R2.328 CC1=CC(=NC2=CC=CC=C12)N BBO000578 [0,0,0,0,0,1|2,0,0]=3 172 B13R2.328 CC1=CC(=NC2=CC=CC=[N+]12)C S29859 [0,0,0,0,0,1|2,0,0]=3 173 B13R2.328 CC1=CC(=O)N2=CC=CC=C2N1 OTV000974 [0,0,0,0,0,1|3,0,0]=4 174 B13R2.328 CC1=CC(=O)N2C=CC=CC2=N1 T320765 [0,0,0,0,0,1|3,0,0]=4 175 B13R2.328 CC1=CC(=O)OC2=C1C=CC=C2 S97102 [0,0,0,0,0,1|1,0,0]=2 176 B13R2.328 CC1=NC2=CC=CC=C2C(=N1)Cl ANV00241 [0,0,0,0,0,1|2,0,0]=3 177 B13R2.328 NC1=CC(=O)OC2=C1C=CC=C2 S732184 [0,0,0,0,0,1|2,0,0]=3 178 B13R2.328 NC1=CC2=CC=CC=C2C(=N1)Br PH009726 [0,0,0,0,0,1|3,0,0]=4 179 B13R2.328 NC1=NC(=C2C=CC=CC2=N1)N CDS001152 [0,0,0,0,0,1|3,0,0]=4 180 B13R2.328 NC1=NC2=C(C=CC=C2)C(=C1)O R240303 [0,0,0,0,0,1|3,0,0]=4 181 B13R2.328 NC1=NC2=CC=CC=C2C(=O)N1 CDS020257 [0,0,0,0,0,1|3,0,0]=4 182 B13R2.328 O=C1C=C(C2=CC=CC=C2N1)O CDS019926 [0,0,0,0,0,1|3,0,0]=4 183 B13R2.328 O=C1SC(=NC2=C1C=CC=C2)S S275190 [0,0,0,0,0,1|3,0,0]=4 184 B13R2.328 OC1=CC2=C(C=CC=C2)C(=N1)O S943460 [0,0,0,0,0,1|3,0,0]=4 185 B13R2.328 [NH+]1=C(C2=C(C=CC=C2)N=C1C)O R663514 [0,0,0,0,0,1|2,0,0]=3 186 B13R2.369 CC1=C(C=C2C=CC=CC2=C1)C S295175 [0,0,0,0,0,1|1,0,0]=2 187 B13R2.369 CC1=C(C=C2N=CC=NC2=C1)C L168912 [0,0,0,0,0,1|3,0,0]=4 188 B13R2.369 CC1=C(CC2=C(C1)CC=CC2)C S748145 [0,0,0,0,0,1|1,0,2]=4 189 B13R2.369 CC1=CC2=C(C=CC=C2)C=[N+]1C S676535 [0,0,0,0,0,1|2,0,0]=3 190 B13R2.369 CC1=CC2=C(C=CC=C2)OC1=O PH003698 [0,0,0,0,0,1|1,0,0]=2 191 B13R2.369 CC1=NC2=C(C=CC=C2)N=C1C R530735 [0,0,0,0,0,1|1,0,0]=2 192 B13R2.369 CC1=NC2=CC=CC=C2CN1C PH013505 [0,0,0,0,0,1|2,0,0]=3 193 B13R2.369 CC1CC2=CC=CC=C2NC1=O PH002978 [0,0,0,0,0,1|2,0,1]=4 194 B13R2.369 CC1CC2=CC=CC=C2OC1=O T217115 [0,0,0,0,0,1|1,0,1]=3 195 B13R2.369 CC1NC2=C(C=CC=C2)NC1=O R227021 [0,0,0,0,0,1|2,0,1]=4 196 B13R2.369 CC1OC2=C(C=CC=C2)NC1=O JRD0784 [0,0,0,0,0,1|1,0,1]=3 197 B13R2.369 CC1SC2=CC=CC=C2NC1=O JRD0961 [0,0,0,0,0,1|1,1,1]=4 198 B13R2.369 N=C1NC2=CC=CC=C2OC1=O T319554 [0,0,0,0,0,1|2,0,0]=3 199 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1Cl PH009408 [0,0,0,0,0,1|2,0,0]=3 200 B13R2.369 O=C1SC2=C(C=CC=C2)C=C1Cl S849499 [0,0,0,0,0,1|2,1,0]=4 201 B13R2.369 S=C1NC2=C(C=CC=C2)NC1=S PH008919 [0,0,0,0,0,1|3,0,0]=4 202 B10R1.15 C/C(=C/Br)/C1=CC=CC=C1 S881791 [1,0,1,0,0,0|1,0,0]=3 203 B10R1.15 C/C(=N\O)/C1=CC=NC=C1 S101478 [1,0,1,0,0,0|2,0,0]=4 204 B10R1.15 C/C(=N\O)/C1=CN=CC=C1 PH005162 [1,0,1,0,0,0|2,0,0]=4 205 B10R1.15 C=C(OC)C1=CC=CC=C1 PH000315 [1,0,1,0,0,0|1,0,1]=4 206 B10R1.15 CCN(C)C1=CC=CC=C1 R750956 [1,0,1,0,0,0|1,0,1]=4 207 B10R1.15 CNC(C)C1=CC=CC=C1 CDS010605 [1,0,1,0,0,0|1,0,1]=4 208 B10R1.15 CNC(C)C1=CC=CC=C1 T172782 [1,0,1,0,0,0|1,0,1]=4 209 B10R1.15 CSC(=O)C1=CC=CC=C1 S918059 [1,0,1,0,0,0|2,0,0]=4 210 B10R1.15 N/C(=N\O)/C1=CC=CC=C1 CDS001188 [1,0,1,0,0,0|2,0,0]=4 211 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [1,0,1,0,0,0|1,0,0]=3 212 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [1,0,1,0,0,0|2,0,0]=4 213 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [1,0,1,0,0,0|2,0,0]=4 214 B10R1.18 C[N+](=CC1=CC=CC=C1)[O-] S387916 [1,0,1,0,0,0|1,0,1]=4 215 B10R1.17 C(=C/SC1=CC=CC=C1)\C T281522 [1,0,1,0,0,0|0,1,0]=3 216 B10R1.17 C/C=C/SC1=CC=CC=C1 T282642 [1,0,1,0,0,0|0,1,0]=3 217 B10R1.17 CSC=CC1=CC=CC=C1 S332976 [1,0,1,0,0,0|2,0,0]=4 218 B10R1.4 C(=O)NC1=C(C=CC=C1)C S349992 [1,0,1,0,0,0|2,0,0]=4 219 B10R1.4 C(=O)NC1=C(C=CC=C1)O S362476 [1,0,1,0,0,0|2,0,0]=4 220 B10R1.4 CCNC1=CC=CC=C1C S571016 [1,0,1,0,0,0|1,0,1]=4 221 B10R1.4 CCOC1=CC=CC=C1F S362085 [1,0,1,0,0,0|1,0,1]=4 222 B10R1.4 CCSC1=C(C=CC=C1)O PH000049 [1,0,1,0,0,0|1,0,1]=4 223 B10R1.4 CNCC1=CC=CC=C1O CDS000322 [1,0,1,0,0,0|1,0,1]=4 224 B10R1.20 COC1=CC=CC=C1NN S264407 [1,0,1,0,0,0|2,0,0]=4 225 B10R1.20 COC1=CC=CC=C1[Hg]Cl S826243 [1,0,1,0,0,0|2,0,0]=4 226 B10R1.20 COC1=CC=CN=C1C=O CDS007985 [1,0,1,0,0,0|2,0,0]=4 227 B10R1.131 CC1=C(OC(=C1)/C=N/N)C R787213 [1,0,1,0,0,0|2,0,0]=4 228 B10R1.131 CC1=C(OC(=C1)/C=N/O)C R787221 [1,0,1,0,0,0|2,0,0]=4 229 B10R1.16 C=CCCC1=CC=C(O1)C L159794 [1,0,1,0,0,0|0,0,2]=4 230 B10R1.61 C=C(C)C1=C(C=CC=C1)Cl PH015499 [1,0,1,0,0,0|1,0,0]=3 231 B10R1.61 CC(C)C1=C(C=CC=C1)Br T330086 [1,0,1,0,0,0|1,0,1]=4 232 B10R1.61 CN(C)C1=C(C=CC=C1)Cl CDS003001 [1,0,1,0,0,0|2,0,0]=4 233 B10R1.61 CS(=O)C1=CC=CC=C1O CDS005411 [1,0,1,0,0,0|2,0,0]=4 234 B10R1.61 C[C@@H](N)C1=CC=CC=C1O CDS019933 [1,0,1,0,0,0|1,0,1]=4 235 B10R1.61 O=C(O)C1=CC=CC=C1O R156981 [1,0,1,0,0,0|2,0,0]=4 236 B10R1.61 O=C(O)C1=CC=CC=C1O S693014 [1,0,1,0,0,0|2,0,0]=4 237 B10R1.61 O=C([O-])C1=C(C=CC=C1)O S171824 [1,0,1,0,0,0|2,0,0]=4 238 B10R1.61 OC1=C(C=CC=C1)C(=S)S R465135 [1,0,1,0,0,0|2,0,0]=4 239 B10R2.7 C1=CC2=C(C=C1)SC=N2 R587656 [2,0,0,0,0,0|1,1,0]=4 240 B10R2.7 C1=CC2=C(C=C1)[Se]C=N2 S440051 [2,0,0,0,0,0|1,1,0]=4 241 B10R2.7 C1=CC2=C(C=CN2)C=N1 PH010447 [2,0,0,0,0,0|2,0,0]=4 242 B10R2.7 C1=CC2=C(C=N1)NC=C2 CDS007514 [2,0,0,0,0,0|2,0,0]=4 243 B10R2.7 C1=CC2=CC=NC=C2O1 SYX00443 [2,0,0,0,0,0|1,0,0]=3 244 B10R2.7 C1=CN=C2C=CNC2=C1 ADE000968 [2,0,0,0,0,0|2,0,0]=4 245 B10R2.7 [NH+]1=CSC2=C1C=CC=C2 R241989 [2,0,0,0,0,0|1,1,0]=4 246 B12R1.20 CC(=O)N(C)C1=CC=C(C=C1)Br S838691 [0,1,1,0,0,0|1,0,1]=4 247 B12R1.20 CC(=O)N(C)C1=CC=C(C=C1)Cl PH007239 [0,1,1,0,0,0|1,0,1]=4 248 B12R1.20 CC(=O)N(C)C1=CC=C(C=C1)N R750425 [0,1,1,0,0,0|1,0,1]=4 249 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)F S450359 [0,1,1,0,0,0|1,0,1]=4 250 B12R1.34 C/C(=C(/N)\C1=CC=CC=C1)/C#N S238449 [0,1,1,0,0,0|2,0,0]=4 251 B12R1.34 CCC(=O)C(C)C1=CC=CC=C1 S593516 [0,1,1,0,0,0|0,0,2]=4 252 B12R1.34 CCC(=O)N(C)C1=CC=CC=C1 S593400 [0,1,1,0,0,0|1,0,1]=4 253 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S310085 [0,1,1,0,0,0|0,0,2]=4 254 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S490628 [0,1,1,0,0,0|0,0,2]=4 255 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S494461 [0,1,1,0,0,0|0,0,2]=4 256 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S497460 [0,1,1,0,0,0|0,0,2]=4 257 B12R1.34 CN(C(=O)CBr)C1=CC=CC=C1 CBR00334 [0,1,1,0,0,0|1,0,1]=4 258 B12R1.34 CN(C(=O)CCl)C1=CC=CC=C1 S91740 [0,1,1,0,0,0|1,0,1]=4 259 B12R1.34 CN(C(=O)CCl)C1=CC=CC=C1 S953326 [0,1,1,0,0,0|1,0,1]=4 260 B12R1.34 CNC(=O)C(C)C1=CC=CC=C1 PH007481 [0,1,1,0,0,0|0,0,2]=4 261 B12R1.34 COC(=O)C(C)C1=CC=CC=C1 T278246 [0,1,1,0,0,0|0,0,2]=4 262 B12R1.34 O=C(C1=CC=CC=C1)/C(=N/O)/Cl PH002865 [0,1,1,0,0,0|2,0,0]=4 263 B12R1.124 CC(C(=O)O)C1=CC=CC=C1F CDS023363 [0,1,1,0,0,0|1,0,1]=4 264 B12R1.124 CC1=CC=CC=C1C(C)C(=O)O S376779 [0,1,1,0,0,0|1,0,1]=4 265 B12R1.225 CC(=O)C(=O)C1=CC(=CC=C1)Cl MNO000201 [0,1,1,0,0,0|1,0,1]=4 266 B12R1.225 CC(=O)N(C)C1=CC(=CC=C1)Cl S559024 [0,1,1,0,0,0|1,0,1]=4 267 B12R1.253 CC(=O)C(C)(O)C1=CC=CC=C1 S306045 [0,1,1,0,0,0|0,0,2]=4 268 B12R1.253 CC(=O)C(C)(O)C1=CC=CC=C1 S495409 [0,1,1,0,0,0|0,0,2]=4 269 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 CDS000391 [0,1,1,0,0,0|1,0,1]=4 270 B12R1.253 CC(N)(C(=O)O)C1=CC=CC=C1 S116629 [0,1,1,0,0,0|1,0,1]=4 271 B12R1.253 CC(O)(C(=O)O)C1=CC=CC=C1 S315958 [0,1,1,0,0,0|1,0,1]=4 272 B12R1.478 C(C)(O)C(CC)C1=CC=CC=C1 R157570 [0,1,1,0,0,0|0,0,2]=4 273 B12R1.478 C(C)(O)C(CC)C1=CC=CC=C1 S490466 [0,1,1,0,0,0|0,0,2]=4 274 B12R1.478 C(C)(O)C(CC)C1=CC=CC=C1 S495131 [0,1,1,0,0,0|0,0,2]=4 275 B12R1.478 C(CC)(C1=CC=CC=C1)[C@@H](C)O S316032 [0,1,1,0,0,0|0,0,2]=4 276 B12R1.478 CC(=O)/C(=N\O)/C1=CC=CC=C1 PH008967 [0,1,1,0,0,0|1,0,1]=4 277 B12R1.478 CNC(C(=O)C)C1=CC=CC=C1 PH012470 [0,1,1,0,0,0|0,0,2]=4 278 B12R1.478 O=C(O)/C(=N\O)/C1=CC=CC=C1 S332178 [0,1,1,0,0,0|2,0,0]=4 279 B12R1.32 C/C(=C\C1=CC=CC=C1)/C=N/O S626856 [0,1,1,0,0,0|2,0,0]=4 280 B12R1.32 CCOC(=O)OC1=CC=CC=C1 S509043 [0,1,1,0,0,0|1,0,1]=4 281 B12R1.32 O=C(CCCl)OC1=CC=CC=C1 T281719 [0,1,1,0,0,0|1,0,1]=4 282 B12R1.43 CC(=O)N(C)NC1=CC=CC=C1 S548928 [0,1,1,0,0,0|2,0,0]=4 283 B12R1.43 CC(C)C(=O)OC1=CC=CC=C1 S939773 [0,1,1,0,0,0|1,0,1]=4 284 B12R1.43 CN(C)C(=O)OC1=CC=CC=C1 S364436 [0,1,1,0,0,0|2,0,0]=4 285 B12R1.49 CNC(=O)OC1=CC=C(C=C1)Br S763187 [0,1,1,0,0,0|2,0,0]=4 286 B12R1.49 CNC(=O)OC1=CC=C(C=C1)F S772801 [0,1,1,0,0,0|2,0,0]=4 287 B12R1.50 CNC(=O)OC1=CC=CC(=C1)Cl PH009057 [0,1,1,0,0,0|2,0,0]=4 288 B12R1.118 C/N=C(\NC1=CC=CC=C1)/SC S630055 [0,1,1,0,0,0|2,0,0]=4 289 B12R1.75 C(=O)C1=C(C=CC=C1)OC(=O)C R252476 [0,1,1,0,0,0|1,0,0]=3 290 B12R1.75 C(=O)C1=C(C=CC=C1)OC(C)C CDS002654 [0,1,1,0,0,0|1,0,1]=4 291 B12R1.75 CC(=O)OC1=CC=CC=C1C#N PH000056 [0,1,1,0,0,0|1,0,1]=4 292 B12R1.75 CCC1=C(C=CC=C1)NC(=O)C S764914 [0,1,1,0,0,0|1,0,1]=4 293 B12R1.75 CSC1=C(C=CC=C1)NC(=O)C PH003618 [0,1,1,0,0,0|2,0,0]=4 294 B12R1.112 C(=O)C1=C(C=CC(=C1)Br)OCC T341215 [0,1,1,0,0,0|1,0,1]=4 295 B12R1.112 CCOC1=CC=C(C=C1C=O)Cl CDS020893 [0,1,1,0,0,0|1,0,1]=4 296 B12R1.121 C=CCOC1=CC=CC=C1OC S340782 [0,1,1,0,0,0|1,0,1]=4 297 B12R1.121 COC1=C(C=CC=C1)OCCN CDS000191 [0,1,1,0,0,0|1,0,1]=4 298 B12R1.121 COC1=C(C=CC=C1)OCCN PH009790 [0,1,1,0,0,0|1,0,1]=4 299 B12R1.121 COC1=CC=CC=C1OCCCl R549363 [0,1,1,0,0,0|1,0,1]=4 300 B12R1.121 COCOC1=C(C=CC=C1)C=O PH008423 [0,1,1,0,0,0|1,0,1]=4 301 B12R1.121 O=CC1=C(C=CC=C1)OCCO CDS000425 [0,1,1,0,0,0|1,0,1]=4 302 B12R1.169 C(=O)NC1=C(C=CC=C1)OCC S516651 [0,1,1,0,0,0|1,0,1]=4 303 B12R1.169 CCOC1=C(C=CC=C1)/C=N\O L169870 [0,1,1,0,0,0|1,0,1]=4 304 B12R1.169 CCOC1=CC=CC=C1OCC S430218 [0,1,1,0,0,0|0,0,2]=4 305 B12R1.268 CCOC1=CC(=CC=C1C=O)F CDS002377 [0,1,1,0,0,0|1,0,1]=4 306 B12R1.268 CCOC1=CC(=CC=C1OC)O S330612 [0,1,1,0,0,0|1,0,1]=4 307 B12R1.24 CCC(=O)C1=CC=CC(=C1O)C PH003571 [0,1,1,0,0,0|1,0,1]=4 308 B12R1.24 COC(=O)C1=CC=CC(=C1O)C S378143 [0,1,1,0,0,0|2,0,0]=4 309 B12R1.24 COC(=O)C1=CC=CC(=C1O)O PH011302 [0,1,1,0,0,0|2,0,0]=4 310 B12R1.243 CC/C(=N\O)/C1=C(C=CC=C1)O PH004373 [0,1,1,0,0,0|1,0,1]=4 311 B12R1.308 C=COC(=O)C1=CC=CC=C1O S375306 [0,1,1,0,0,0|1,0,1]=4 312 B12R1.308 CCCC(C)C1=CC=CC=C1O S371343 [0,1,1,0,0,0|0,0,2]=4 313 B12R1.308 CNNC(=O)C1=CC=CC=C1O PH008875 [0,1,1,0,0,0|2,0,0]=4 314 B12R1.308 O=C(NCO)C1=CC=CC=C1O S385050 [0,1,1,0,0,0|2,0,0]=4 315 B12R1.354 CCC(=O)C1=C(C=CC(=C1)Cl)O PH011673 [0,1,1,0,0,0|1,0,1]=4 316 B12R1.354 CCC(=O)C1=C(C=CC(=C1)O)O S372315 [0,1,1,0,0,0|1,0,1]=4 317 B12R1.354 COC(=O)C1=CC(=CC=C1O)I S352977 [0,1,1,0,0,0|2,0,0]=4 318 B12R1.1703 C/C(=N\O)/C1=C(C=C(C=C1)O)O R395218 [0,1,1,0,0,0|2,0,0]=4 319 B12R1.1703 CC1=CC(=C(C=C1)/C(=N/O)/C)O L497398 [0,1,1,0,0,0|2,0,0]=4 320 B12R1.1703 CCC(=O)C1=C(C=C(C=C1)Br)O PH006805 [0,1,1,0,0,0|1,0,1]=4 321 B12R1.1703 CCC(=O)C1=CC=C(C=C1O)F JRD0661 [0,1,1,0,0,0|1,0,1]=4 322 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)O PH001949 [0,1,1,0,0,0|2,0,0]=4 323 B12R1.1703 COC(=O)C1=CC=C(C=C1O)Br JRD0832 [0,1,1,0,0,0|2,0,0]=4 324 B12R1.1703 COC(=O)C1=CC=C(C=C1O)C PH011099 [0,1,1,0,0,0|2,0,0]=4 325 B12R1.1703 COC(=O)C1=CC=C(C=C1O)F JRD0834 [0,1,1,0,0,0|2,0,0]=4 326 B12R2.1 BrCC1=CSC2=C1C=CC=C2 CDS020684 [1,1,0,0,0,0|0,1,0]=3 327 B12R2.1 BrCC1=NOC2=CC=CC=C12 CDS008319 [1,1,0,0,0,0|1,0,0]=3 328 B12R2.1 CC[N+]1=CSC2=C1C=CC=C2 S32981 [1,1,0,0,0,0|1,1,0]=4 329 B12R2.1 CNC1=C2C=CC=CC2=NS1 PH012845 [1,1,0,0,0,0|2,0,0]=4 330 B12R2.1 CNC1=C2C=CC=CC2=NS1 PH019064 [1,1,0,0,0,0|2,0,0]=4 331 B12R2.1 NCC1=CNC2=C1C=CC=C2 CDS020852 [1,1,0,0,0,0|1,0,0]=3 332 B12R2.1 NCC1=CSC2=C1C=CC=C2 CDS018595 [1,1,0,0,0,0|0,1,0]=3 333 B12R2.1 NCC1=NNC2=CC=CC=C12 CDS009727 [1,1,0,0,0,0|2,0,0]=4 334 B12R2.1 NCC1=NNC2=CC=CC=C12 CDS022347 [1,1,0,0,0,0|2,0,0]=4 335 B12R2.1 OCC1=CSC2=C1C=CC=C2 PH014781 [1,1,0,0,0,0|0,1,0]=3 336 B12R2.132 CC1=CNC2=C1C=C(C=C2)Cl PHB00308 [1,1,0,0,0,0|1,0,0]=3 337 B12R2.132 CC1=CSC2=CC=C(C=C12)Br CDS015937 [1,1,0,0,0,0|0,1,0]=3 338 B12R2.132 CC1=NOC2=CC=C(C=C12)Br CDS009348 [1,1,0,0,0,0|1,0,0]=3 339 B12R2.132 CN1C=NC2=CC=C(C=C12)Br CDS008133 [1,1,0,0,0,0|2,0,0]=4 340 B12R2.132 CN1C=NC2=CC=C(C=C12)N CDS019276 [1,1,0,0,0,0|2,0,0]=4 341 B12R2.196 CC1=CNC2=C(C=CC=C12)Br T117943 [1,1,0,0,0,0|1,0,0]=3 342 B12R2.196 CN1C=CC2=C(C=CC=C12)N CDS005244 [1,1,0,0,0,0|2,0,0]=4 343 B12R2.196 NC1=NOC2=C(C=CC=C12)F CDS023613 [1,1,0,0,0,0|2,0,0]=4 344 B12R2.203 CC1=CN=C2N1C(=CC=C2)N SYX00144 [1,1,0,0,0,0|2,0,0]=4 345 B12R2.203 OC1=NOC2=C1C(=CC=C2)F CDS021320 [1,1,0,0,0,0|2,0,0]=4 346 B12R2.612 CC1=NNC2=C1C=CC(=C2)I PHB00239 [1,1,0,0,0,0|2,0,0]=4 347 B12R2.612 CC1=NOC2=CC(=CC=C12)Br CDS003558 [1,1,0,0,0,0|1,0,0]=3 348 B12R2.612 CN1C=CC2=C1C=CC(=C2)N CDS014563 [1,1,0,0,0,0|2,0,0]=4 349 B12R2.612 CN1C=NC2=CC(=CC=C12)Br CDS023161 [1,1,0,0,0,0|2,0,0]=4 350 B12R2.612 NC1=NOC2=CC(=CC=C12)Br CDS008140 [1,1,0,0,0,0|2,0,0]=4 351 B12R2.612 OC1=NOC2=C1C=CC(=C2)Cl CDS017027 [1,1,0,0,0,0|2,0,0]=4 352 B12R2.2028 CC1=CN(C2=C1C=CC=C2)C S705845 [1,1,0,0,0,0|1,0,0]=3 353 B12R2.32 CC[N+]1=CC2=CC=CC=C2O1 S617024 [1,1,0,0,0,0|1,0,0]=3 354 B12R2.32 CSC1=NC2=C(N1)C=CC=C2 R429929 [1,1,0,0,0,0|2,0,0]=4 355 B12R2.32 CSC1=NC2=C(O1)C=CC=C2 S872989 [1,1,0,0,0,0|1,0,0]=3 356 B12R2.32 C[Se]C1=NC2=C(N1)C=CC=C2 S202851 [1,1,0,0,0,0|2,0,0]=4 357 B12R2.32 ClCC1=CN2C=CC=CC2=N1 T328316 [1,1,0,0,0,0|2,0,0]=4 358 B12R2.32 ClCC1=NC2=C(N1)C=CC=C2 S934852 [1,1,0,0,0,0|2,0,0]=4 359 B12R2.32 ClCC1=NC2=CC=CC=C2O1 CDS016769 [1,1,0,0,0,0|1,0,0]=3 360 B12R2.32 N#CC1=CC2=C(O1)C=CC=C2 R700967 [1,1,0,0,0,0|0,0,1]=3 361 B12R2.32 N#CC1=NC2=CC=CC=C2O1 PH009850 [1,1,0,0,0,0|1,0,1]=4 362 B12R2.32 NCC1=CC2=C(N1)C=CC=C2 CDS001804 [1,1,0,0,0,0|1,0,0]=3 363 B12R2.32 NCC1=CC2=C(S1)C=CC=C2 CDS017817 [1,1,0,0,0,0|0,1,0]=3 364 B12R2.32 NCC1=CN2C=CC=CC2=N1 CBR00989 [1,1,0,0,0,0|2,0,0]=4 365 B12R2.32 NCC1=NC2=CC=CC=C2S1 CBR00935 [1,1,0,0,0,0|1,1,0]=4 366 B12R2.32 OCC1=CC2=NC=CC=C2O1 ADE001139 [1,1,0,0,0,0|1,0,0]=3 367 B12R2.32 OCC1=CN2C=CC=CC2=N1 CDS017742 [1,1,0,0,0,0|2,0,0]=4 368 B12R2.32 OCC1=CN2C=CC=CC2=N1 SYX00380 [1,1,0,0,0,0|2,0,0]=4 369 B12R2.32 OCC1=NC2=C(S1)C=CC=C2 CDS006337 [1,1,0,0,0,0|1,1,0]=4 370 B12R2.32 SCC1=NC2=CC=CC=C2N1 CBR00787 [1,1,0,0,0,0|2,0,0]=4 371 B12R2.202 CC1=CC2=CC=CC(=C2O1)N CBR00813 [1,1,0,0,0,0|0,0,0]=2 372 B12R2.202 CC1=CN2C(=CC=CC2=N1)N CBR02342 [1,1,0,0,0,0|2,0,0]=4 373 B12R2.202 CC1=NC2=CC=CC(=C2O1)Br CDS021215 [1,1,0,0,0,0|1,0,0]=3 374 B12R2.202 CN1C=C2C(=CC=CC2=N1)Br SYX00128 [1,1,0,0,0,0|2,0,0]=4 375 B12R2.202 CN1C=C2C=CC=C(C2=N1)Br SYX00129 [1,1,0,0,0,0|2,0,0]=4 376 B12R2.202 NC1=C2NC(=O)OC2=CC=C1 OTV000480 [1,1,0,0,0,0|2,0,0]=4 377 B12R2.202 O=C1C=C2C(=CC=CC2=N1)F CDS021261 [1,1,0,0,0,0|2,0,0]=4 378 B12R2.606 BrC1=CN=C2C=C(OC2=C1)I ADE001171 [1,1,0,0,0,0|2,0,0]=4 379 B12R2.606 CC1=CC2=C(C=C1)N=C(S2)C PH000069 [1,1,0,0,0,0|1,1,0]=4 380 B12R2.606 CC1=CC2=C(C=C1)OC(=S)N2 L470805 [1,1,0,0,0,0|2,0,0]=4 381 B12R2.606 CC1=CC2=C(O1)C=CC(=C2)N CDS021488 [1,1,0,0,0,0|0,0,0]=2 382 B12R2.606 CC1=CC2=CC(=CN=C2N1)Br ADE001092 [1,1,0,0,0,0|2,0,0]=4 383 B12R2.606 CC1=CC2=CC=C(C=C2N1)Cl CDS022887 [1,1,0,0,0,0|1,0,0]=3 384 B12R2.606 CC1=CC2=CC=C(N=C2N1)Cl CVT00123 [1,1,0,0,0,0|2,0,0]=4 385 B12R2.606 CC1=NC2=C(O1)C=CC(=C2)N CDS017157 [1,1,0,0,0,0|1,0,0]=3 386 B12R2.606 CC1=NC2=CC(=CC=C2N1)O CBR02477 [1,1,0,0,0,0|2,0,0]=4 387 B12R2.606 CC1=NC2=CC(=CC=C2O1)O CDS003560 [1,1,0,0,0,0|1,0,0]=3 388 B12R2.606 CC1=NC2=CC=C(C=C2N1)N CDS022382 [1,1,0,0,0,0|2,0,0]=4 389 B12R2.606 CC1=NC2=CC=C(C=C2O1)O CDS009773 [1,1,0,0,0,0|1,0,0]=3 390 B12R2.606 CC1=NC2=CC=C(C=C2S1)I CDS021504 [1,1,0,0,0,0|1,1,0]=4 391 B12R2.606 CC1=NC2=CC=C(C=C2S1)N CBR00322 [1,1,0,0,0,0|1,1,0]=4 392 B12R2.606 CC1CC2=CC(=CC=C2O1)N CBR00712 [1,1,0,0,0,0|0,0,2]=4 393 B12R2.606 CN1C=C2C=CC(=CC2=N1)Br BML00257 [1,1,0,0,0,0|2,0,0]=4 394 B12R2.606 ClC1=CC=C2N=C(OC2=C1)Cl CDS013574 [1,1,0,0,0,0|2,0,0]=4 395 B12R2.606 N1C(=NC2=C1C=CC(=C2)Cl)C S438812 [1,1,0,0,0,0|2,0,0]=4 396 B12R2.606 N1C2=CC=C(C=C2N=C1C)Br ANV00243 [1,1,0,0,0,0|2,0,0]=4 397 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)Cl R645915 [1,1,0,0,0,0|2,0,0]=4 398 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)I CDS022774 [1,1,0,0,0,0|2,0,0]=4 399 B12R2.606 O=C1OC2=C(S1)C=C(C=C2)O R584991 [1,1,0,0,0,0|2,0,0]=4 400 B14R2.92 COC1=C(C2=C(C=CC=C2)C=C1)I R268720 [0,1,0,0,0,1|2,0,0]=4 401 B14R2.92 O=C1C(=COC2=CC=CC=C12)CO PH007744 [0,1,0,0,0,1|1,0,0]=3 402 B14R2.203 CC[N+]1=C(C=CC2=C1C=CC=C2)C S920290 [0,1,0,0,0,1|2,0,0]=4 403 B14R2.4513 CC1=CC2=C(C=C1)OC=C(C2=O)Br JRD1474 [0,1,0,0,0,1|2,0,0]=4 404 B14R2.4513 CC1=CC=C2OC=C(C(=O)C2=C1)C JRD0423 [0,1,0,0,0,1|1,0,0]=3 405 B14R2.4513 CC1=COC2=C(C1=O)C=C(C=C2)Cl JRD1304 [0,1,0,0,0,1|1,0,0]=3 406 B14R2.4513 CC1=COC2=CC=C(C=C2C1=O)Br JRD0424 [0,1,0,0,0,1|1,0,0]=3 407 B14R2.4513 CC1=COC2=CC=C(C=C2C1=O)F JRD0425 [0,1,0,0,0,1|1,0,0]=3 408 B14R2.4513 CN1C(=O)COC2=CC=C(C=C12)N CBR00203 [0,1,0,0,0,1|2,0,0]=4 409 B14R2.4513 O=C1C(=COC2=CC=C(C=C12)Br)Br IDF00137 [0,1,0,0,0,1|2,0,0]=4 410 B14R2.4513 O=C1C(=COC2=CC=C(C=C12)Cl)Br IDF00068 [0,1,0,0,0,1|2,0,0]=4 411 B14R2.7724 CC1=[N+](C2=C(C=CC=C2)C(=C1)Cl)C S512214 [0,1,0,0,0,1|2,0,0]=4 412 B14R2.7724 CC1=[N+](C2=C(C=CC=C2)C(=C1)Cl)C S515639 [0,1,0,0,0,1|2,0,0]=4 413 B14R2.8038 CC1=CC=C2C(=CC=NC2=C1C)Cl BBO000170 [0,1,0,0,0,1|2,0,0]=4 414 B14R2.8038 CC1=CC=C2C(=CC=NC2=C1C)O BBO000049 [0,1,0,0,0,1|2,0,0]=4 415 B14R2.8188 CC1=CC2=C(C=CC=C2)C(=C1C)I R268623 [0,1,0,0,0,1|2,0,0]=4 416 B14R2.8188 CN1C(=O)OC2=C(C1=O)C=CC=C2 PH009096 [0,1,0,0,0,1|2,0,0]=4 417 B14R2.8188 O=C1OC2=C(C=CC=C2)C(=C1Br)O PH011265 [0,1,0,0,0,1|2,0,0]=4 418 B14R2.29369 CC1=CC2=C(C=C1)C(=C(C=C2)C)I R269794 [0,1,0,0,0,1|2,0,0]=4 419 B14R2.29369 CC1=CC2=C(C=C1)C(=C(C=C2)C)N R268771 [0,1,0,0,0,1|2,0,0]=4 420 B14R2.29369 CN1C(=O)COC2=CC(=CC=C12)N CBR00365 [0,1,0,0,0,1|2,0,0]=4 421 B14R2.1019 CNC1=NC2=C(C=CC=C2)C(=O)O1 PH008463 [0,1,0,0,0,1|2,0,0]=4 422 B14R2.1019 ClCC1=NC2=CC=CC=C2C(=N1)Cl BBO000667 [0,1,0,0,0,1|2,0,0]=4 423 B14R2.1019 NCC1=NC(=C2C=CC=CC2=N1)O PH017876 [0,1,0,0,0,1|2,0,0]=4 424 B14R2.1019 NCC1=NC2=CC=CC=C2C(=O)N1 CBR01562 [0,1,0,0,0,1|2,0,0]=4 425 B14R2.1146 COC1=CC(=O)OC2=C1C=CC=C2 PH009702 [0,1,0,0,0,1|1,0,0]=3 426 B14R2.1146 CSC1=NC(=O)CC2=C1C=CC=C2 S761605 [0,1,0,0,0,1|2,0,0]=4 427 B14R2.1146 OC1=CC(=C2C=CC=CC2=N1)CBr PH015678 [0,1,0,0,0,1|2,0,0]=4 428 B14R2.8045 CC1=CC(=C2C=CC=C(C2=N1)Br)Br BBO000286 [0,1,0,0,0,1|2,0,0]=4 429 B14R2.8045 CC1=CC(=C2C=CC=C(C2=N1)C)Br CDS020781 [0,1,0,0,0,1|2,0,0]=4 430 B14R2.8045 CC1=CC(=C2C=CC=C(C2=N1)F)Br BBO000285 [0,1,0,0,0,1|2,0,0]=4 431 B14R2.8045 CC1=CC(=C2C=CC=C(C2=N1)N)C T327395 [0,1,0,0,0,1|1,0,0]=3 432 B14R2.8045 CC1=CC(=C2N=CC=C(C2=C1)Cl)C BBO000167 [0,1,0,0,0,1|2,0,0]=4 433 B14R2.8045 CC1=CC(=C2N=CC=C(C2=C1)O)C BBO000048 [0,1,0,0,0,1|2,0,0]=4 434 B14R2.8045 CC1=CC(=NC2=C1C=CC=C2C)O S376183 [0,1,0,0,0,1|2,0,0]=4 435 B14R2.8045 CC1=CC=C[N+]2=C1N=C(C=C2C)C R606456 [0,1,0,0,0,1|2,0,0]=4 436 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)Cl)Br BBO000020 [0,1,0,0,0,1|2,0,0]=4 437 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)Cl)C BBO000026 [0,1,0,0,0,1|2,0,0]=4 438 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)Cl)F BBO000175 [0,1,0,0,0,1|2,0,0]=4 439 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)N)Br BBO000073 [0,1,0,0,0,1|2,0,0]=4 440 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)N)C BBO000075 [0,1,0,0,0,1|2,0,0]=4 441 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)N)F CBR01404 [0,1,0,0,0,1|2,0,0]=4 442 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)O)Br BBO000223 [0,1,0,0,0,1|2,0,0]=4 443 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)O)C BBO000042 [0,1,0,0,0,1|2,0,0]=4 444 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)O)F BBO000053 [0,1,0,0,0,1|2,0,0]=4 445 B14R2.8045 CC1=NC2=C(C=CC=C2Cl)C(=C1)O BBO000698 [0,1,0,0,0,1|2,0,0]=4 446 B14R2.8235 CC1=C2C=C(C=CC2=NC(=C1)Cl)Br BBO000343 [0,1,0,0,0,1|2,0,0]=4 447 B14R2.8235 CC1=CC(=C2C=C(C=CC2=N1)Cl)Br CDS023550 [0,1,0,0,0,1|2,0,0]=4 448 B14R2.8235 CC1=CC(=NC2=CC=C(C=C12)Cl)Br BBO000657 [0,1,0,0,0,1|2,0,0]=4 449 B14R2.8235 CC1=CC(=NC2=CC=C(C=C12)O)O BBO000044 [0,1,0,0,0,1|2,0,0]=4 450 B14R2.8235 CC1=CC(=NC2=[N+]1C=C(C=C2)Br)C S29883 [0,1,0,0,0,1|2,0,0]=4 451 B14R2.8235 CC1=CC(=O)C2=C(O1)C=CC(=C2)Cl JRD1495 [0,1,0,0,0,1|1,0,0]=3 452 B14R2.8235 CC1=CC2=C(C=C1)N=C(C=C2C)C S356719 [0,1,0,0,0,1|1,0,0]=3 453 B14R2.8235 CC1=CC2=C(C=C1)N=C(C=C2C)O S376191 [0,1,0,0,0,1|2,0,0]=4 454 B14R2.8235 CC1=CC2=C(C=C1)OC(=CC2=O)C S392618 [0,1,0,0,0,1|1,0,0]=3 455 B14R2.8235 CC1=CC2=C(C=C1)OC(=O)C=C2C S907189 [0,1,0,0,0,1|1,0,0]=3 456 B14R2.8235 CC1=CC=C2N=C(C=C(C2=C1)C)Br BBO000655 [0,1,0,0,0,1|2,0,0]=4 457 B14R2.8235 CC1=CC=C2N=C(C=C(C2=C1)Cl)C BBO000025 [0,1,0,0,0,1|2,0,0]=4 458 B14R2.8235 CC1=CC=C2N=C(C=C(C2=C1)N)C BBO000736 [0,1,0,0,0,1|2,0,0]=4 459 B14R2.8235 CC1=CC=C2OC(CC(=O)C2=C1)C PH010434 [0,1,0,0,0,1|1,0,1]=4 460 B14R2.8235 CC1=NC(=C2C=C(C=CC2=N1)F)Cl CDS021119 [0,1,0,0,0,1|2,0,0]=4 461 B14R2.8235 CC1=NC2=C(C=C(C=C2)Br)C(=O)O1 PH006909 [0,1,0,0,0,1|2,0,0]=4 462 B14R2.8235 CC1=NC2=C(C=C(C=C2)Cl)C(=C1)O BBO000708 [0,1,0,0,0,1|2,0,0]=4 463 B14R2.8235 CC1=NC2=C(C=C(C=C2)Cl)C(=O)N1 S188131 [0,1,0,0,0,1|2,0,0]=4 464 B14R2.8235 CC1=NC2=C(C=C(C=C2)Cl)C(=O)O1 PH004008 [0,1,0,0,0,1|2,0,0]=4 465 B14R2.8235 CC1=NC2=C(C=C(C=C2)F)C(=C1)Cl PH003438 [0,1,0,0,0,1|2,0,0]=4 466 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)Br)Br BBO000595 [0,1,0,0,0,1|2,0,0]=4 467 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)Cl)Br BBO000022 [0,1,0,0,0,1|2,0,0]=4 468 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)Cl)Cl BBO000070 [0,1,0,0,0,1|2,0,0]=4 469 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)N)Br BBO000074 [0,1,0,0,0,1|2,0,0]=4 470 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)N)Cl CBR01370 [0,1,0,0,0,1|2,0,0]=4 471 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)N)F BBO000077 [0,1,0,0,0,1|2,0,0]=4 472 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)O)Br BBO000245 [0,1,0,0,0,1|2,0,0]=4 473 B14R2.8235 O=C1C=C(C2=CC(=CC=C2O1)Br)O IDF00048 [0,1,0,0,0,1|2,0,0]=4 474 B14R2.28480 CC1=CC(=C2C(=CC=NC2=C1)Cl)C BBO000165 [0,1,0,0,0,1|2,0,0]=4 475 B14R2.28480 CC1=CC(=C2C(=CC=NC2=C1)N)C BBO000152 [0,1,0,0,0,1|2,0,0]=4 476 B14R2.28480 CC1=CC(=C2C(=CC=NC2=C1)O)C BBO000043 [0,1,0,0,0,1|2,0,0]=4 477 B14R2.28480 CC1=CC(=O)C2=C(N1)C=CC=C2C R261815 [0,1,0,0,0,1|2,0,0]=4 478 B14R2.28480 CC1=CC2=NC=CC(=C2C(=C1)C)Br BBO000593 [0,1,0,0,0,1|2,0,0]=4 479 B14R2.29365 CC1=C2C=CC(=CC2=NC(=C1)Cl)Br BBO000652 [0,1,0,0,0,1|2,0,0]=4 480 B14R2.29365 CC1=CC(=C2C=CC(=NC2=C1)C)C BBO000089 [0,1,0,0,0,1|2,0,0]=4 481 B14R2.29365 CC1=CC(=C2C=CC(=NC2=N1)O)C T151793 [0,1,0,0,0,1|2,0,0]=4 482 B14R2.29365 CC1=CC(=NC2=CC(=CC=C12)Cl)C BBO000027 [0,1,0,0,0,1|1,0,0]=3 483 B14R2.29365 CC1=CC(=NC2=CC(=CC=C12)Cl)Cl CBR01181 [0,1,0,0,0,1|2,0,0]=4 484 B14R2.29365 CC1=CC(=O)C2=C(N1)C=C(C=C2)Br R261793 [0,1,0,0,0,1|2,0,0]=4 485 B14R2.29365 CC1=CC(=O)NC2=CC(=CC=C12)Br OTV000861 [0,1,0,0,0,1|2,0,0]=4 486 B14R2.29365 CC1=CC(=[O+]C2=C1C=CC(=C2)O)C S32949 [0,1,0,0,0,1|0,0,1]=3 487 B14R2.29365 CC1=CC2=C(C=C1)C(=CC(=N2)O)C S385492 [0,1,0,0,0,1|2,0,0]=4 488 B14R2.29365 CC1=CC2=C(C=C1)C(=CC(=O)O2)O IDF00004 [0,1,0,0,0,1|2,0,0]=4 489 B14R2.29365 CC1=NC2=C(C=CC(=C2)Cl)C(=C1)Cl BBO000700 [0,1,0,0,0,1|2,0,0]=4 490 B14R2.29365 CC1=NC2=C(C=CC(=C2)Cl)C(=O)N1 R101850 [0,1,0,0,0,1|2,0,0]=4 491 B14R2.29365 CC1=NC2=C(C=CC(=C2)Cl)C(=O)O1 PH009098 [0,1,0,0,0,1|2,0,0]=4 492 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)Cl)Br BBO000214 [0,1,0,0,0,1|2,0,0]=4 493 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)Cl)F BBO000171 [0,1,0,0,0,1|2,0,0]=4 494 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)N)Br BBO000156 [0,1,0,0,0,1|2,0,0]=4 495 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)N)Cl BBO000157 [0,1,0,0,0,1|2,0,0]=4 496 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)O)Cl BBO000069 [0,1,0,0,0,1|2,0,0]=4 497 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)O)F BBO000217 [0,1,0,0,0,1|2,0,0]=4 498 B14R2.29365 CC1=NC2=CC(=CC=C2C(=N1)Cl)F CDS021178 [0,1,0,0,0,1|2,0,0]=4 499 B14R2.29365 O=C1C=C(C2=C(O1)C=C(C=C2)Cl)O PH004653 [0,1,0,0,0,1|2,0,0]=4 500 B14R2.29496 CC1(CC(=O)C2=C(O1)C=CC=C2)C PH009909 [0,1,0,0,0,1|1,0,1]=4 501 B14R2.29496 CC1(NC(=O)C2=CC=CC=C2O1)C PH001950 [0,1,0,0,0,1|1,0,1]=4 502 B14R2.639 CC1(OC2=CC=CC=C2NC1=O)C JRD0407 [0,1,0,0,0,1|1,0,1]=4 503 B14R2.639 CC1(OC2=CC=CC=C2OC1=O)C T319716 [0,1,0,0,0,1|1,0,1]=4 504 B14R2.1128 CC1=CC2=C(C=CC=C2)C=C1CBr S280526 [0,1,0,0,0,1|1,0,0]=3 505 B14R2.1128 CC1=CC2=C(C=CC=C2)C=C1CBr S302805 [0,1,0,0,0,1|1,0,0]=3 506 B14R2.1128 CC1=NC2=C(C=CC=C2)N=C1CCl TMT00452 [0,1,0,0,0,1|1,0,0]=3 507 B14R2.1128 CCC1=CC2=CC=CC=C2N=C1Cl BBO000255 [0,1,0,0,0,1|2,0,0]=4 508 B14R2.1128 CCC1=CC2=CC=CC=C2N=C1N BBO000545 [0,1,0,0,0,1|2,0,0]=4 509 B14R2.1128 CNC1CC2=CC=CC=C2OC1C PH013131 [0,1,0,0,0,1|0,0,2]=4 510 B14R2.1128 ClCC1=CC2=CC=CC=C2N=C1Cl BBO000118 [0,1,0,0,0,1|2,0,0]=4 511 B14R2.1128 N#CC1=CC2=C(C=CC=C2)OC1=N S647632 [0,1,0,0,0,1|1,0,1]=4 512 B14R2.1128 OCC1=CC2=CC=CC=C2N=C1Cl BBO000266 [0,1,0,0,0,1|2,0,0]=4 513 B14R2.8239 CC1=CC2=CC(=CC=C2N=C1Cl)Br BBO000197 [0,1,0,0,0,1|2,0,0]=4 514 B14R2.8239 CC1=CC2=CC(=CC=C2N=C1Cl)Cl BBO000095 [0,1,0,0,0,1|2,0,0]=4 515 B14R2.8239 CC1=CC2=CC(=CC=C2N=C1Cl)F BBO000132 [0,1,0,0,0,1|2,0,0]=4 516 B14R2.8239 CC1=CC2=CC(=CC=C2N=C1N)Br BBO000746 [0,1,0,0,0,1|2,0,0]=4 517 B14R2.8239 CC1=CC2=CC(=CC=C2N=C1N)Cl BBO000064 [0,1,0,0,0,1|2,0,0]=4 518 B14R2.8239 CC1=CC2=CC(=CC=C2N=C1N)F BBO000065 [0,1,0,0,0,1|2,0,0]=4 519 B14R2.8239 CC1=CC2=CC=C(C=C2N=C1Cl)Br BBO000563 [0,1,0,0,0,1|2,0,0]=4 520 B14R2.8239 CC1=CC2=CC=C(C=C2N=C1Cl)F BBO000137 [0,1,0,0,0,1|2,0,0]=4 521 B14R2.8239 CC1=CC2=CC=C(C=C2N=C1N)F BBO000546 [0,1,0,0,0,1|2,0,0]=4 522 B14R2.8239 CC1=CC=C2C=C(C(=NC2=C1)Cl)C BBO000108 [0,1,0,0,0,1|2,0,0]=4 523 B14R2.8239 CC1=CC=C2N=C(C(=CC2=C1)C)Cl BBO000107 [0,1,0,0,0,1|2,0,0]=4 524 B14R2.8239 CC1=CC=C2N=C(C(=CC2=C1)C)N BBO000543 [0,1,0,0,0,1|2,0,0]=4 525 B14R2.8239 CC1=CC=C2NC(=O)C(OC2=C1)C OTV000465 [0,1,0,0,0,1|1,0,1]=4 526 B14R2.8239 CC1=NC2=CC(=C(C=C2C=C1)C)C BBO000059 [0,1,0,0,0,1|2,0,0]=4 527 B14R2.8239 CC1OC2=C(C=C(C=C2)N)NC1=O JRD0674 [0,1,0,0,0,1|1,0,1]=4 528 B14R2.8239 CC1OC2=CC=C(C=C2NC1=O)Br JRD0725 [0,1,0,0,0,1|1,0,1]=4 529 B14R2.8239 CC1OC2=CC=C(C=C2NC1=O)Cl OTV000335 [0,1,0,0,0,1|1,0,1]=4 530 B14R2.8239 CC1OC2=CC=C(C=C2NC1=O)F JRD0727 [0,1,0,0,0,1|1,0,1]=4 531 B14R2.8239 CC1OC2=CC=C(C=C2NC1=O)N OTV000478 [0,1,0,0,0,1|1,0,1]=4 532 B14R2.28472 CC1=C(C=C2C(=CC=NC2=C1)Cl)C BBO000166 [0,1,0,0,0,1|2,0,0]=4 533 B14R2.28472 CC1=C(C=C2C(=CC=NC2=C1)N)C BBO000565 [0,1,0,0,0,1|2,0,0]=4 534 B14R2.28472 CC1=C(C=C2C(=CC=NC2=C1)O)C BBO000192 [0,1,0,0,0,1|2,0,0]=4 535 B14R2.28472 CC1=CC2=CC=CC(=C2N=C1Cl)C BBO000741 [0,1,0,0,0,1|2,0,0]=4 536 B14R2.28472 CC1=CC2=CC=CC(=C2N=C1N)C BBO000544 [0,1,0,0,0,1|2,0,0]=4 537 B14R2.44 CN1C(=NC2=C1C=CC=C2)CCO CBR02361 [0,2,0,0,0,0|2,0,0]=4 538 B14R2.44 CN1C2=CC=CC=C2N=C1CCN CBR00683 [0,2,0,0,0,0|2,0,0]=4 539 B14R2.44 CNCC1=C(C2=CC=CC=C2N1)C CBR01262 [0,2,0,0,0,0|1,0,0]=3 540 B14R2.44 CNCC1=C(C2=CC=CC=C2S1)Cl PH015544 [0,2,0,0,0,0|1,1,0]=4 541 B14R2.450 CC(=O)C1=C(C2=C(O1)C=CC=C2)N T121150 [0,2,0,0,0,0|1,0,0]=3 542 B14R2.450 CC(=O)C1=C(C2=C(S1)C=CC=C2)O S760552 [0,2,0,0,0,0|1,1,0]=4 543 B14R2.450 CC(=O)C1=NC2=CC=CC=C2N1C CBR00074 [0,2,0,0,0,0|2,0,0]=4 544 B14R2.450 CC1=C(NC2=CC=CC=C12)C(=O)O CDS002324 [0,2,0,0,0,0|1,0,1]=4 545 B14R2.1060 CC1=C(NC2=CC=C(C=C12)F)C=O CDS001923 [0,2,0,0,0,0|1,0,1]=4 546 B14R2.1095 CCC1=NC2=CC(=CC=C2N1C)N CDS019763 [0,2,0,0,0,0|2,0,0]=4 547 B14R2.1095 CN1C(=NC2=C1C=CC(=C2)F)CCl PH017375 [0,2,0,0,0,0|2,0,0]=4 548 B14R2.1095 CN1C2=CC=C(C=C2N=C1CCl)Cl PH017374 [0,2,0,0,0,0|2,0,0]=4 549 B14R2.1129 CCC1=C(C2=CC=CC=C2O1)C=O CDS002213 [0,2,0,0,0,0|0,0,1]=3 550 B14R2.1129 CC[N+]1=C(SC2=C1C=CC=C2)SC R241946 [0,2,0,0,0,0|1,1,0]=4 551 B14R2.1129 CC[N+]1=C(SC2=C1C=CC=C2)SC R587125 [0,2,0,0,0,0|1,1,0]=4 552 B14R2.2151 CC1=C(NC2=C(C=CC=C12)Cl)C=O CBR01909 [0,2,0,0,0,0|1,0,1]=4 553 B14R2.517 C#CCN1C(=O)OC2=C1C=CC=C2 R366358 [0,2,0,0,0,0|2,0,0]=4 554 B14R2.517 C#CC[N+]1=C(SC2=C1C=CC=C2)C R307130 [0,2,0,0,0,0|1,1,0]=4 555 B14R2.517 C(=O)CN1C(=O)OC2=CC=CC=C12 CBR00550 [0,2,0,0,0,0|2,0,0]=4 556 B14R2.517 CC1=[N+](C2=C(S1)C=CC=C2)CCO R465305 [0,2,0,0,0,0|1,1,0]=4 557 B14R2.517 CC1=[N+](C2=CC=CC=C2S1)CCO R428418 [0,2,0,0,0,0|1,1,0]=4 558 B14R2.517 CCC[N+]1=C(SC2=CC=CC=C12)C S655872 [0,2,0,0,0,0|1,1,0]=4 559 B14R2.517 N1C(=C(C2=C1C=CC=C2)CCC)C S363812 [0,2,0,0,0,0|1,0,0]=3 560 B14R2.642 CC(=O)C1=C(SC2=C1C=CC=C2)C CBR01172 [0,2,0,0,0,0|0,1,0]=3 561 B14R2.642 CC1=C(C2=CC=CC=C2N1)C(=N)N PH015430 [0,2,0,0,0,0|1,0,1]=4 562 B14R2.4217 CCN1C(=NC2=C1C=CC(=C2)Cl)C S452912 [0,2,0,0,0,0|2,0,0]=4 563 B14R2.4217 CCN1C(=NC2=C1C=CC(=C2)N)C S406392 [0,2,0,0,0,0|2,0,0]=4 564 B14R2.4220 CC1=C2NC(=C(C2=CC=C1)C=O)C CBR01860 [0,2,0,0,0,0|1,0,1]=4 565 B14R2.19008 CC[N+]1=C(SC2=C1C=C(C=C2)C)C S622931 [0,2,0,0,0,0|1,1,0]=4 566 B14R2.19306 CC1=C(C2=C(N1C)C=CC=C2)C=O CDS014832 [0,2,0,0,0,0|1,0,1]=4 567 B14R2.57380 CC1=[N+](C2=C(C1(C)C)C=CC=C2)C S871613 [0,2,0,0,0,0|1,0,1]=4 568 B14R2.645 CC1=NC2=C(N1C)C=C(C(=C2)Cl)Cl S394726 [0,2,0,0,0,0|2,0,0]=4 569 B14R2.645 CC1=NC2=C(N1C)C=C(C(=C2)Cl)Cl S981559 [0,2,0,0,0,0|2,0,0]=4 570 B14R2.9184 CC1=C(N2C=C(C=C(C2=N1)N)Br)C SYX00160 [0,2,0,0,0,0|2,0,0]=4 571 B14R2.1815 N1C(=C(C2=C1C=C(C=C2)OC)C)C S955485 [0,2,0,0,0,0|1,0,0]=3 572 B12R2.41 C1=CC2=C(C=C1)CCCC=C2 T254290 [0,0,1,1,0,0|1,0,1]=4 573 B14R3.608 CC1=CC2CC1C3=CC=CC=C23 T201189 [0,0,0,1,0,1|1,0,1]=4 574 B14R3.49 C1=CC2=C(C=C1)N3CCCC3=N2 L202975 [0,1,0,1,0,0|2,0,0]=4 575 B14R3.49 C1=CC2=C(C=C1)[N+]3=C(S2)SCC3 R243191 [0,1,0,1,0,0|1,1,0]=4 576 B14R3.49 C1=CC2=C(C=C1)[N+]3=C(S2)SCC3 R306673 [0,1,0,1,0,0|1,1,0]=4 577 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [1,0,0,0,1,0|1,0,1]=4 578 B12R1.107 C/C(=C/C(C)C)/C1=CC=CC=C1 S674036 [0,0,1,0,0,1|1,0,1]=4 579 B12R1.107 C/C(=C\C(=O)N)/C1=CC=CC=C1 PH007020 [0,0,1,0,0,1|1,0,1]=4 580 B12R1.107 C/C(=C\C(=O)O)/C1=CC=CC=C1 S808334 [0,0,1,0,0,1|1,0,0]=3 581 B12R1.107 C/C(=N/N(C)C)/C1=CC=CC=C1 S881090 [0,0,1,0,0,1|2,0,0]=4 582 B12R1.107 CC(=O)NN(C)C1=CC=CC=C1 PH007050 [0,0,1,0,0,1|1,0,1]=4 583 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 PH000708 [0,0,1,0,0,1|1,0,1]=4 584 B12R1.27 CCC(=O)O[Hg]C1=CC=CC=C1 S522473 [0,0,1,0,0,1|1,0,1]=4 585 B12R1.27 CSC(=S)OCC1=CC=CC=C1 S863475 [0,0,1,0,0,1|2,0,0]=4 586 B14R2.52 CC1NC(=O)COC2=C1C=CC=C2 R733776 [0,0,0,0,0,2|1,0,1]=4 587 B14R2.738 CC1=NC2=C(C=CC=C2)N=C(C1)C R174289 [0,0,0,0,0,2|1,0,0]=3 588 B14R2.738 N1C(=CC(=NC2=C1C=CC=C2)C)C L160156 [0,0,0,0,0,2|1,0,0]=3 589 B14R2.738 N1C(=CC(=NC2=C1C=CC=C2)C)C S32825 [0,0,0,0,0,2|1,0,0]=3