0 B14R2.29365 CC1=C2C=CC(=CC2=NC(=C1)Cl)Br BBO000652 [0,0,0,0,0,0|3,0,0]=3 1 B14R2.29365 CC1=CC(=C2C=CC(=NC2=C1)C)C BBO000089 [0,0,0,0,0,0|4,0,0]=4 2 B14R2.29365 CC1=CC(=C2C=CC(=NC2=N1)O)C T151793 [0,0,0,0,0,0|3,0,0]=3 3 B14R2.29365 CC1=CC(=NC2=C1C=CC(=N2)O)O S437727 [0,0,0,0,0,0|2,0,1]=3 4 B14R2.29365 CC1=CC(=NC2=CC(=CC=C12)Cl)C BBO000027 [0,0,0,0,0,0|3,0,0]=3 5 B14R2.29365 CC1=CC(=NC2=CC(=CC=C12)Cl)Cl CBR01181 [0,0,0,0,0,0|3,0,0]=3 6 B14R2.29365 CC1=CC(=O)C2=C(N1)C=C(C=C2)Br R261793 [0,0,0,0,0,0|4,0,0]=4 7 B14R2.29365 CC1=CC(=O)NC2=CC(=CC=C12)Br OTV000861 [0,0,0,0,0,0|2,0,0]=2 8 B14R2.29365 CC1=CC(=[O+]C2=C1C=CC(=C2)O)C S32949 [0,0,0,0,0,0|1,0,1]=2 9 B14R2.29365 CC1=CC2=C(C=C1)C(=CC(=N2)O)C S385492 [0,0,0,0,0,0|2,0,1]=3 10 B14R2.29365 CC1=CC2=C(C=C1)C(=CC(=O)O2)O IDF00004 [0,0,0,0,0,0|2,0,0]=2 11 B14R2.29365 CC1=NC2=C(C=CC(=C2)Cl)C(=C1)Cl BBO000700 [0,0,0,0,0,0|4,0,0]=4 12 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)Cl)Br BBO000214 [0,0,0,0,0,0|4,0,0]=4 13 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)Cl)F BBO000171 [0,0,0,0,0,0|4,0,0]=4 14 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)N)Br BBO000156 [0,0,0,0,0,0|4,0,0]=4 15 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)N)Cl BBO000157 [0,0,0,0,0,0|4,0,0]=4 16 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)O)Cl BBO000069 [0,0,0,0,0,0|4,0,0]=4 17 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)O)F BBO000217 [0,0,0,0,0,0|4,0,0]=4 18 B14R2.29365 O=C1C=C(C2=C(O1)C=C(C=C2)Cl)O PH004653 [0,0,0,0,0,0|2,0,0]=2 19 B14R2.29365 O=C1NC(=O)C2=CC=C(C=C2N1)Cl T309141 [0,0,0,0,0,0|4,0,0]=4 20 B14R2.29365 O=C1NC2=CC(=CC=C2C(=O)O1)F CDS019634 [0,0,0,0,0,0|4,0,0]=4 21 B13R2.155 CC1=NC2=CC(=CC=C2C=C1)Br BBO000574 [1,0,0,0,0,0|3,0,0]=4 22 B13R2.155 ClC1=NC2=CC(=CC=C2C=C1)Br BBO000071 [1,0,0,0,0,0|3,0,0]=4 23 B13R2.155 NC1=CC=C2C=CC(=O)OC2=C1 CDS022443 [1,0,0,0,0,0|1,0,0]=2 24 B13R2.155 O=C1C=CC2=C(O1)N=C(C=C2)O PH009034 [1,0,0,0,0,0|1,0,0]=2 25 B13R2.155 O=C1CCC2=C(O1)C=C(C=C2)Br IDF00036 [1,0,0,0,0,0|1,0,2]=4 26 B13R2.155 O=C1COC2=CC=C(C=C2N1)O OTV000751 [1,0,0,0,0,0|2,0,1]=4 27 B13R2.155 OC1=CC2=CC(=CC=C2N=C1)Br BBO000554 [1,0,0,0,0,0|3,0,0]=4 28 B13R2.155 OC1=NC2=NC(=CC=C2C=C1)F ADE000840 [1,0,0,0,0,0|3,0,0]=4 29 B13R2.328 CC1=CC(=NC2=CC=CC=C12)N BBO000578 [1,0,0,0,0,0|2,0,0]=3 30 B13R2.328 CC1=CC(=NC2=CC=CC=[N+]12)C S29859 [1,0,0,0,0,0|3,0,0]=4 31 B13R2.328 CC1=CC(=O)OC2=C1C=CC=C2 S97102 [1,0,0,0,0,0|0,0,0]=1 32 B13R2.328 NC1=CC(=O)OC2=C1C=CC=C2 S732184 [1,0,0,0,0,0|1,0,0]=2 33 B13R2.328 NC1=NC2=C(C=CC=C2)C(=C1)O R240303 [1,0,0,0,0,0|3,0,0]=4 34 B13R2.328 O=C1C=C(C2=CC=CC=C2N1)O CDS019926 [1,0,0,0,0,0|2,0,0]=3 35 B13R2.328 O=C1C=C([N+]2=C(N1)C=CC=C2)[O-] R973165 [1,0,0,0,0,0|3,0,0]=4 36 B13R2.5179 CC1=CC2=NC=CC(=C2C=C1)Br BBO000588 [1,0,0,0,0,0|3,0,0]=4 37 B13R2.5179 CC1=CC=C2C(=CC=NC2=C1)Cl BBO000174 [1,0,0,0,0,0|3,0,0]=4 38 B13R2.5179 CC1=CC=C2C(=CC=NC2=C1)O BBO000221 [1,0,0,0,0,0|3,0,0]=4 39 B13R2.5179 ClC1=CC2=C(C=C1)C(=CC=N2)Cl R426881 [1,0,0,0,0,0|3,0,0]=4 40 B13R2.5179 ClC1=CC=NC2=CC(=CC=C12)Br BBO000274 [1,0,0,0,0,0|3,0,0]=4 41 B13R2.5179 FC1=CC2=NC=CC(=C2C=C1)Br BBO000589 [1,0,0,0,0,0|3,0,0]=4 42 B13R2.5179 FC1=CC=C2C(=CC=NC2=C1)Cl BBO000702 [1,0,0,0,0,0|3,0,0]=4 43 B13R2.5179 FC1=CC=C2C(=CC=NC2=C1)Cl CDS007214 [1,0,0,0,0,0|3,0,0]=4 44 B13R2.5179 NC1=C2C=CC(=CC2=CC=C1)O CDS000157 [1,0,0,0,0,0|2,0,0]=3 45 B13R2.5179 NC1=CC2=C(C=C1)C(=CC=C2)O CDS000002 [1,0,0,0,0,0|3,0,0]=4 46 B13R2.5179 NC1=CC=NC2=CC(=CC=C12)Br BBO000566 [1,0,0,0,0,0|3,0,0]=4 47 B13R2.5179 NC1=CC=NC2=CC(=CC=C12)Cl BBO000159 [1,0,0,0,0,0|3,0,0]=4 48 B13R2.5179 NC1=CC=NC2=CC(=CC=C12)F BBO000567 [1,0,0,0,0,0|3,0,0]=4 49 B13R2.5179 O=C1C=COC2=CC(=CC=C12)Cl JRD1023 [1,0,0,0,0,0|2,0,0]=3 50 B13R2.5179 O=C1CCOC2=CC(=CC=C12)O PH011288 [1,0,0,0,0,0|1,0,2]=4 51 B13R2.5179 OC1=CC=NC2=CC(=CC=C12)Br BBO000232 [1,0,0,0,0,0|3,0,0]=4 52 B13R2.5179 OC1=CC=NC2=CC(=CC=C12)F BBO000050 [1,0,0,0,0,0|3,0,0]=4 53 B15R2.22666 CC1=CC=C2C(=CC(=O)OC2=C1)CCl TMT00473 [0,1,0,0,0,0|1,0,0]=2 54 B15R2.22666 CCC1=CC(=O)OC2=C1C=CC(=C2)O R504211 [0,1,0,0,0,0|0,0,0]=1 55 B15R2.59733 CC1=C(C=C2C(=CC(=O)OC2=C1)O)C IDF00028 [0,1,0,0,0,0|2,0,0]=3 56 B15R2.59733 CC1=C(C=C2C(=CC(=O)OC2=C1)O)Cl JRD1107 [0,1,0,0,0,0|2,0,0]=3 57 B15R2.59733 CC1=CC(=[O+]C2=C1C=C(C(=C2)O)O)C S192287 [0,1,0,0,0,0|1,0,1]=3 58 B15R2.59733 CC1=CC2=C(C=C(N=C2C=C1N)O)C T319597 [0,1,0,0,0,0|2,0,1]=4 59 B15R2.63893 CC1=C(C2=C(C=C(C=C2)O)OC1=O)C R104418 [0,1,0,0,0,0|0,0,0]=1 60 B15R2.63893 O=C1OC2=C(C=CC(=C2)O)C(=O)C1F R515922 [0,1,0,0,0,0|1,0,1]=3 61 B15R2.63910 CC1=CC(=NC2=C(C(=CC=C12)Br)C)Cl BBO000654 [0,1,0,0,0,0|3,0,0]=4 62 B15R2.63910 CC1=CC(=NC2=C1C=CC(=C2C)Br)O BBO000653 [0,1,0,0,0,0|2,0,1]=4 63 B15R2.63911 CC1=CC(OC2=CC(=CC=C12)O)(C)C PH002929 [0,1,0,0,0,0|1,0,1]=3 64 B15R2.65793 CC1=CC(=C2C(=CC(=O)OC2=C1)C)O CDS009714 [0,1,0,0,0,0|1,0,0]=2 65 B15R2.65793 CC1=CC(=O)OC2=C1C(=CC(=C2)O)O S416312 [0,1,0,0,0,0|0,0,0]=1 66 B15R2.65793 CC1=CC2=C(C(=C1)C)C(=CC(=N2)O)C T316067 [0,1,0,0,0,0|2,0,1]=4 67 B15R2.65793 CC1=CC2=C(C(=O)N1)C(=CC(=O)O2)C T311456 [0,1,0,0,0,0|2,0,0]=3 68 B15R2.89396 COC1=CC2=C(C=C1)C(=CC(=N2)C)O S512249 [0,1,0,0,0,0|3,0,0]=4 69 B15R2.89396 COC1=CC2=C(C=C1)C(=CC(=O)O2)C T340855 [0,1,0,0,0,0|0,0,0]=1 70 B15R2.89396 COC1=CC2=C(C=C1)C(=O)C=C(N2)C R261807 [0,1,0,0,0,0|3,0,0]=4 71 B15R2.89396 COC1=CC2=NC(=CC(=C2C=C1)Br)C BBO000282 [0,1,0,0,0,0|3,0,0]=4 72 B15R2.89396 COC1=CC=C2C(=CC(=NC2=C1)Br)C BBO000656 [0,1,0,0,0,0|2,0,0]=3 73 B15R2.89396 COC1=CC=C2C(=CC(=NC2=C1)C)Cl BBO000172 [0,1,0,0,0,0|3,0,0]=4 74 B15R2.89396 COC1=CC=C2C(=CC(=NC2=C1)C)N BBO000568 [0,1,0,0,0,0|3,0,0]=4 75 B15R2.89396 COC1=CC=C2C(=CC(=O)NC2=C1)O CVT00065 [0,1,0,0,0,0|2,0,0]=3 76 B15R2.89396 COC1=CC=C2C(=O)NC(=O)NC2=C1 PH010388 [0,1,0,0,0,0|3,0,0]=4 77 B15R2.89396 CSC1=CC=C2C(=CC(=NC2=C1)Cl)C CBR00590 [0,1,0,0,0,0|2,1,0]=4 78 B13R1.20 CCOC(=O)OC1=CC=CC(=C1)C S590789 [0,0,1,0,0,0|2,0,1]=4 79 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)Br T135860 [0,0,1,0,0,0|1,0,2]=4 80 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)Cl PH015633 [0,0,1,0,0,0|1,0,2]=4 81 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)O T135879 [0,0,1,0,0,0|0,0,2]=3 82 B13R1.132 CC1=CC=C(C=C1)/C(=C/C(=O)O)/C L128317 [0,0,1,0,0,0|1,0,0]=2 83 B13R1.132 CC1=CC=C(C=C1)C(C)CC(=O)O S326283 [0,0,1,0,0,0|1,0,2]=4 84 B13R1.164 CC1=CC(=CC=C1C=CC(=O)O)N S398012 [0,0,1,0,0,0|3,0,0]=4 85 B13R1.164 CC1=CC=C(C(=C1)C)/C=C/C(=O)O KOB0165 [0,0,1,0,0,0|3,0,0]=4 86 B13R2.5187 NC1=CC2=C(C=C1)C(=O)NC2=O CDS000148 [0,0,0,0,1,0|3,0,0]=4 87 B13R2.5187 NC1=CC2=C(C=C1)C(=O)NC2=O R464295 [0,0,0,0,1,0|3,0,0]=4 88 B13R2.5187 O=C1OC(=O)C2=C1C=CC(=C2)Cl PH011762 [0,0,0,0,1,0|3,0,0]=4 89 B13R2.5187 O=C1OC(=O)C2=C1C=CC(=C2)O PH004941 [0,0,0,0,1,0|2,0,0]=3 90 B13R2.5190 CC1=CC=C2C(=O)C(=O)NC2=C1 CDS020596 [0,0,0,0,1,0|3,0,0]=4 91 B13R2.5190 CN1C(=O)CC2=C1C=CC(=C2)Cl PH009430 [0,0,0,0,1,0|3,0,0]=4 92 B13R2.5190 CN1C(=O)CC2=C1C=CC(=C2)O PH010625 [0,0,0,0,1,0|2,0,0]=3 93 B13R2.5190 O=C1NC2=C(C1=O)C=CC(=C2)Br CDS000133 [0,0,0,0,1,0|3,0,0]=4 94 B13R2.5190 O=C1NC2=C(C1=O)C=CC(=C2)I T281182 [0,0,0,0,1,0|3,0,0]=4 95 B13R2.5190 O=C1NC2=CC(=CC=C2C1=O)Cl CDS000344 [0,0,0,0,1,0|3,0,0]=4 96 B13R2.5190 O=C1NC2=CC(=CC=C2C1=O)F PH010436 [0,0,0,0,1,0|3,0,0]=4 97 B15R2.61992 [NH+]1=C(C=C(NC2=C1C=C(C=C2)C)C)C R976865 [0,0,0,0,0,1|3,0,0]=4 98 B12R1.32 CCOC(=O)OC1=CC=CC=C1 S509043 [1,0,1,0,0,0|1,0,1]=4 99 B12R1.50 CNC(=O)OC1=CC=CC(=C1)Cl PH009057 [1,0,1,0,0,0|2,0,0]=4 100 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)Br TMT00515 [1,0,1,0,0,0|2,0,0]=4 101 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)F CDS016057 [1,0,1,0,0,0|2,0,0]=4 102 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O S350656 [1,0,1,0,0,0|1,0,0]=3 103 B12R1.21 CC1=CC=C(C=C1)/C=C/C(=O)N R640662 [1,0,1,0,0,0|2,0,0]=4 104 B12R1.21 NC(=O)/C=C/C1=CC=C(C=C1)Cl PH010888 [1,0,1,0,0,0|2,0,0]=4 105 B12R1.21 NC1=CC=C(C=C1)/C=C/C(=O)O CDS000175 [1,0,1,0,0,0|1,0,0]=3 106 B12R1.107 C/C(=C\C(=O)N)/C1=CC=CC=C1 PH007020 [1,0,1,0,0,0|1,0,0]=3 107 B12R1.107 C/C(=C\C(=O)O)/C1=CC=CC=C1 S808334 [1,0,1,0,0,0|0,0,0]=2 108 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 PH000708 [1,0,1,0,0,0|0,0,2]=4 109 B12R1.1703 C/C(=N\O)/C1=C(C=C(C=C1)O)O R395218 [1,0,1,0,0,0|1,0,1]=4 110 B12R1.75 C(=O)C1=C(C=CC=C1)OC(=O)C R252476 [1,0,1,0,0,0|1,0,1]=4 111 B12R2.24 ClC1=CC=C2C=CC=NC2=C1 CDS014905 [2,0,0,0,0,0|2,0,0]=4 112 B12R2.24 NC1=CC2=C(C=CC=C2)C=C1 S810606 [2,0,0,0,0,0|2,0,0]=4 113 B12R2.24 NC1=CC=C2C=CC=NC2=C1 CDS019693 [2,0,0,0,0,0|2,0,0]=4 114 B12R2.24 OC1=CC2=CC=CC=C2N=C1 CDS009409 [2,0,0,0,0,0|2,0,0]=4 115 B12R2.24 OC1=CC=C2C=CC=NC2=C1 CDS008204 [2,0,0,0,0,0|1,0,0]=3 116 B12R2.24 OC1=CN=C2C=CC=NC2=C1 ADE000860 [2,0,0,0,0,0|2,0,0]=4 117 B12R2.1081 C[N+]1=CC=CC2=C1C=CC=C2 S706817 [2,0,0,0,0,0|2,0,0]=4 118 B12R2.1081 NC1=CC=CC2=CC=CC=C12 CDS019944 [2,0,0,0,0,0|2,0,0]=4 119 B12R2.1081 NC1=CC=NC2=CC=CC=C12 BBO000743 [2,0,0,0,0,0|2,0,0]=4 120 B12R2.1081 NC1=CC=NC2=CC=CC=C12 CDS009704 [2,0,0,0,0,0|2,0,0]=4 121 B12R2.1081 O=C1C=CSC2=C1C=CC=C2 S849510 [2,0,0,0,0,0|1,1,0]=4 122 B14R1.17 C/C=C/C(=O)NC1=C(C(=CC=C1)C)C S900907 [0,1,1,0,0,0|2,0,0]=4 123 B14R1.950 C/C=C/C(=O)NC1=CC(=CC=C1C)C L172251 [0,1,1,0,0,0|2,0,0]=4 124 B14R1.2 COC1=CC=C(C=C1)C(C)CC(=O)O R594881 [0,1,1,0,0,0|0,0,2]=4 125 B14R1.2 COC1=CC=C(C=C1)C(C)CC(=O)O R595446 [0,1,1,0,0,0|0,0,2]=4 126 B14R1.10 COC(=O)CC(=O)C1=CC=C(C=C1)O CDS000077 [0,1,1,0,0,0|1,0,1]=4 127 B14R2.134 C(=O)C1=CC2=C(C=CC(=C2)C)C=C1 S943770 [1,1,0,0,0,0|2,0,0]=4 128 B14R2.134 COC1=CC2=C(C=C1)CCC(=O)O2 IDF00007 [1,1,0,0,0,0|0,0,2]=4 129 B14R2.134 COC1=CC=C2C=CC(=NC2=C1)C BBO000218 [1,1,0,0,0,0|2,0,0]=4 130 B14R2.8239 O=C1C=CC2=C(O1)C=C(C(=C2)Cl)O IDF00014 [1,1,0,0,0,0|0,0,0]=2 131 B14R2.1019 O=CC1=NC2=CC=CC=C2C(=C1)O CDS009527 [1,1,0,0,0,0|2,0,0]=4 132 B14R2.1146 COC1=CC(=O)OC2=C1C=CC=C2 PH009702 [1,1,0,0,0,0|0,0,0]=2 133 B14R2.1146 CSC1=NC(=O)CC2=C1C=CC=C2 S761605 [1,1,0,0,0,0|2,0,0]=4 134 B14R2.1146 OC1=CC(=C2C=CC=CC2=N1)CBr PH015678 [1,1,0,0,0,0|1,0,1]=4 135 B14R2.7724 CC1=CC(=O)N(C2=C1C=CC=C2)C PH005171 [1,1,0,0,0,0|1,0,0]=3 136 B14R2.8045 CC1=CC(=C2C=CC=C(C2=N1)N)C T327395 [1,1,0,0,0,0|2,0,0]=4 137 B14R2.8045 CC1=CC(=NC2=C1C=CC=C2C)O S376183 [1,1,0,0,0,0|1,0,1]=4 138 B14R2.8188 CN1C(=O)C(=O)NC2=CC=CC=C12 CBR00312 [1,1,0,0,0,0|2,0,0]=4 139 B14R2.8188 CN1C(=O)OC2=C(C1=O)C=CC=C2 PH009096 [1,1,0,0,0,0|2,0,0]=4 140 B14R2.8188 O=C1OC2=C(C=CC=C2)C(=C1Br)O PH011265 [1,1,0,0,0,0|1,0,0]=3 141 B14R2.8235 CC1=C2C=C(C=CC2=NC(=C1)Cl)Br BBO000343 [1,1,0,0,0,0|2,0,0]=4 142 B14R2.8235 CC1=CC(=NC2=CC=C(C=C12)Cl)Br BBO000657 [1,1,0,0,0,0|2,0,0]=4 143 B14R2.8235 CC1=CC(=NC2=CC=C(C=C12)O)O BBO000044 [1,1,0,0,0,0|1,0,1]=4 144 B14R2.8235 CC1=CC(=O)C2=C(O1)C=CC(=C2)Cl JRD1495 [1,1,0,0,0,0|2,0,0]=4 145 B14R2.8235 CC1=CC2=C(C=C1)N=C(C=C2C)C S356719 [1,1,0,0,0,0|2,0,0]=4 146 B14R2.8235 CC1=CC2=C(C=C1)N=C(C=C2C)O S376191 [1,1,0,0,0,0|1,0,1]=4 147 B14R2.8235 CC1=CC2=C(C=C1)OC(=CC2=O)C S392618 [1,1,0,0,0,0|2,0,0]=4 148 B14R2.8235 CC1=CC2=C(C=C1)OC(=O)C=C2C S907189 [1,1,0,0,0,0|0,0,0]=2 149 B14R2.8235 CC1=CC=C2N=C(C=C(C2=C1)C)Br BBO000655 [1,1,0,0,0,0|2,0,0]=4 150 B14R2.8235 O=C1C=C(C2=CC(=CC=C2O1)Br)O IDF00048 [1,1,0,0,0,0|1,0,0]=3 151 B14R2.1801 COC1=CC2=C(C=C1)C(=CC=C2)N T153451 [1,1,0,0,0,0|2,0,0]=4 152 B14R2.1801 COC1=CC2=NC=CC(=C2C=C1)Br BBO000276 [1,1,0,0,0,0|2,0,0]=4 153 B14R2.1801 COC1=CC=C2C(=CC=NC2=C1)N BBO000569 [1,1,0,0,0,0|2,0,0]=4 154 B14R2.28472 CC1=C(C=C2C(=O)C=COC2=C1)Cl IDF00013 [1,1,0,0,0,0|2,0,0]=4 155 B14R2.8716 CN1C(=O)C(=O)C2=CC(=CC=C12)Br TMT00036 [0,1,0,0,1,0|2,0,0]=4 156 B14R2.1815 COC1=CC2=C(C=C1)C(=O)C(=O)N2 OTV000973 [0,1,0,0,1,0|2,0,0]=4 157 B14R2.1815 COC1=CC=C2C(=C1)CC(=O)N2C T311650 [0,1,0,0,1,0|2,0,0]=4 158 B14R2.1815 N1C(=C(C2=C1C=C(C=C2)OC)C)C S955485 [0,1,0,0,1,0|2,0,0]=4 159 B16R2.133406 O=C(O)C1=CC(=O)C2=CC=C(C=C2O1)Cl JRD1024 [0,2,0,0,0,0|2,0,0]=4 160 B16R2.40090 CC1=C(C=CC2=C1OC(=O)C=C2CCl)O R131938 [0,2,0,0,0,0|0,0,0]=2 161 B16R2.113313 CCCC1=CC(=O)OC2=C1C=CC(=C2)O PH014717 [0,2,0,0,0,0|0,0,0]=2 162 B16R2.198795 O=C1C=C(C2=CC(=C(C=C2O1)O)Cl)CCl R608041 [0,2,0,0,0,0|0,0,0]=2 163 B16R2.198826 CCC1=CC(=O)OC2=C1C(=CC(=C2)C)O R658812 [0,2,0,0,0,0|1,0,0]=3 164 B16R2.8632 CC1=CC=C2C(=C1)OC(=O)C(=C2C)C#N IDF00018 [0,2,0,0,0,0|1,0,0]=3 165 B16R2.26103 CC1=CC(=O)OC2=C1C=CC(=C2)N(C)C R751324 [0,2,0,0,0,0|1,0,0]=3 166 B16R2.150515 CCNC1=CC=C2C(=CC(=O)OC2=C1)Cl T301329 [0,2,0,0,0,0|2,0,0]=4 167 B16R2.150515 CCOC1=CC=C2C(=CC(=O)OC2=C1)C S561940 [0,2,0,0,0,0|0,0,0]=2 168 B12R1.17 CCNC(=O)C1=CC(=CC=C1)O EME00412 [0,0,1,0,1,0|1,0,1]=4 169 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)F S450359 [0,0,1,0,1,0|1,0,1]=4 170 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)O PH000116 [0,0,1,0,1,0|1,0,1]=4 171 B12R1.46 COC1=C(C=C(C=C1)O)C(=O)C IDF00003 [0,0,1,0,1,0|1,0,1]=4 172 B12R2.606 CC1=NC2=CC=C(C=C2O1)O CDS009773 [1,0,0,0,1,0|2,0,0]=4 173 B12R2.606 O=C1CC2=CC(=CC=C2N1)O CDS004194 [1,0,0,0,1,0|2,0,0]=4 174 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)Cl R645915 [1,0,0,0,1,0|2,0,0]=4 175 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)I CDS022774 [1,0,0,0,1,0|2,0,0]=4 176 B12R2.606 O=C1OC2=C(S1)C=C(C=C2)O R584991 [1,0,0,0,1,0|1,1,0]=4 177 B12R2.18 CN1C(=O)NC2=CC=CC=C12 PH010060 [1,0,0,0,1,0|2,0,0]=4 178 B12R2.18 CN1C(=S)OC2=C1C=CC=C2 TMT00405 [1,0,0,0,1,0|1,1,0]=4 179 B12R2.2028 CC1=CN(C2=C1C=CC=C2)C S705845 [1,0,0,0,1,0|2,0,0]=4 180 B12R2.2028 CC1OC(=O)C2=C1C=CC=C2 PH010378 [1,0,0,0,1,0|1,0,1]=4 181 B12R2.2028 O=C1SC(=O)C2=C1C=CC=C2 PH009710 [1,0,0,0,1,0|2,0,0]=4 182 B12R2.2028 O=C1[N-]C(=O)C2=C1C=CC=C2 R426687 [1,0,0,0,1,0|2,0,0]=4 183 B12R2.612 CC1=NOC2=CC(=CC=C12)Br CDS003558 [1,0,0,0,1,0|2,0,0]=4 184 B12R2.612 CN1C=CC2=C1C=CC(=C2)N CDS014563 [1,0,0,0,1,0|2,0,0]=4 185 B12R2.612 CN1C=CC2=CC(=CN=C12)O ADE000927 [1,0,0,0,1,0|2,0,0]=4 186 B14R1.678 CC1=CC=C(C=C1)/C(=C\CC(=O)O)/C T195170 [0,0,1,0,0,1|1,0,0]=3 187 B14R1.678 CC1=CC=C(C=C1)C(=O)/C=C/C(=O)O JRD0202 [0,0,1,0,0,1|2,0,0]=4 188 B14R1.678 O=C(O)/C=C/C(=O)C1=CC=C(C=C1)Br PH010535 [0,0,1,0,0,1|2,0,0]=4 189 B14R1.678 O=C(O)/C=C/C(=O)C1=CC=C(C=C1)F JRD0699 [0,0,1,0,0,1|2,0,0]=4 190 B14R1.678 O=C(O)CCC(=O)C1=CC=C(C=C1)O T136271 [0,0,1,0,0,1|1,0,1]=4 191 B14R1.678 O=C(O)CSC(=S)C1=CC=C(C=C1)O PH007939 [0,0,1,0,0,1|1,0,1]=4 192 B14R1.698 C/C(=C\C1=CC=C(C=C1)Cl)/CC(=O)O L128996 [0,0,1,0,0,1|1,0,1]=4 193 B14R2.52 CC1NC(=O)COC2=C1C=CC=C2 R733776 [1,0,0,0,0,1|1,0,1]=4 194 B14R2.738 N1C(=CC(=NC2=C1C=CC=C2)C)C L160156 [1,0,0,0,0,1|2,0,0]=4 195 B14R2.738 N1C(=CC(=NC2=C1C=CC=C2)C)C S32825 [1,0,0,0,0,1|2,0,0]=4