0 B7R0.4 C/C=C/C=C\C(C)O T211419 [0,0,0,0,0,0|1,0,1]=2 1 B7R0.4 C=C=CCCC(=O)O CVT00110 [0,0,0,0,0,0|0,0,4]=4 2 B7R0.4 C=CCOCC(=O)O CDS023318 [0,0,0,0,0,0|1,0,3]=4 3 B7R0.4 CCC/C=C/C(=O)C CDS001219 [0,0,0,0,0,0|1,0,2]=3 4 B7R0.4 CCC/C=C/C(=O)N PH008310 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.4 CCO/C=C/C(=O)O CDS016341 [0,0,0,0,0,0|1,0,1]=2 6 B7R0.4 CCOCCC(=O)O S448745 [0,0,0,0,0,0|1,0,3]=4 7 B7R0.4 CNCCCC(=O)O PH006886 [0,0,0,0,0,0|1,0,3]=4 8 B7R0.4 COCCCC(=O)O CDS021485 [0,0,0,0,0,0|1,0,3]=4 9 B7R0.4 CSCCCC(=O)O OTV000795 [0,0,0,0,0,0|1,0,3]=4 10 B7R0.4 N#CS/C=C\C(=O)O PH008397 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.4 C=CCNC(=O)C EME00415 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.4 CC/C=C/C(=O)Cl PH009861 [1,0,0,0,0,0|1,0,1]=3 13 B6R0.4 CNCCC(=O)O CDS013939 [1,0,0,0,0,0|1,0,2]=4 14 B6R0.4 CO/N=C/C(=O)O CDS023875 [1,0,0,0,0,0|2,0,0]=3 15 B8R0.5 CC/C=C(\C)/C=C(C)C T181536 [0,1,0,0,0,0|2,0,1]=4 16 B8R0.5 CCO/C(=C/C(=O)O)/C S885061 [0,1,0,0,0,0|1,0,1]=3 17 B8R0.6 CCC/C=C/C(=O)OC R436038 [0,1,0,0,0,0|0,0,2]=3 18 B8R0.7 C#C/C=C/CCC(=O)O CVT00120 [0,1,0,0,0,0|0,0,3]=4 19 B8R0.7 C(=C/C=C/C(C)C)\CO T265454 [0,1,0,0,0,0|2,0,1]=4 20 B8R0.7 C=C/C=C/CCC(=O)O CVT00134 [0,1,0,0,0,0|0,0,2]=3 21 B8R0.7 CCC/C=C/CC(=O)O CDS000348 [0,1,0,0,0,0|0,0,2]=3 22 B8R0.8 CCC/C=C(\C)/C(=O)O CDS000408 [0,1,0,0,0,0|0,0,2]=3 23 B8R0.9 C(=C\C(=O)NC)\C(=O)O R436445 [0,1,0,0,0,0|1,0,0]=2 24 B8R0.9 C(=C\C(=O)NC)\C(=O)O S626813 [0,1,0,0,0,0|1,0,0]=2 25 B8R0.9 CCC(=O)CCC(=O)O S574090 [0,1,0,0,0,0|0,0,3]=4 26 B8R0.9 COC(=O)NCC(=O)O CDS020780 [0,1,0,0,0,0|2,0,1]=4 27 B8R0.28 CC(=O)/C=C/C=C(C)C CDS001465 [0,1,0,0,0,0|1,0,0]=2 28 B8R0.28 N=C(N)S/C=C\C(=O)O PH006862 [0,1,0,0,0,0|2,0,0]=3 29 B8R1.1 Cl[Hg]C1=CC=C(O1)Cl S814490 [0,0,0,1,0,0|3,0,0]=4 30 B8R1.4 CC1=CC(=O)NC=C1 T162655 [0,0,0,1,0,0|2,0,0]=3 31 B8R1.4 CC1=CC=CC(=C1)N R647047 [0,0,0,1,0,0|2,0,0]=3 32 B8R1.4 CC1=CC=CC(=O)N1 S766364 [0,0,0,1,0,0|1,0,0]=2 33 B8R1.4 CC1=CC=NC(=O)C1 S681601 [0,0,0,1,0,0|2,0,0]=3 34 B8R1.4 CC1=CCCC(=O)C1 PH000095 [0,0,0,1,0,0|1,0,2]=4 35 B8R1.4 CC1=C[N+](=CC=C1)C S619396 [0,0,0,1,0,0|3,0,0]=4 36 B8R1.4 CC1=NC(=CC=N1)Cl PHB00236 [0,0,0,1,0,0|3,0,0]=4 37 B8R1.4 CC1=NC(=CC=N1)N CDS014871 [0,0,0,1,0,0|3,0,0]=4 38 B8R1.4 CC1=NC(=CN=C1)Cl ANV00028 [0,0,0,1,0,0|3,0,0]=4 39 B8R1.4 CC1=NC(=CN=C1)Cl CDS013631 [0,0,0,1,0,0|3,0,0]=4 40 B8R1.4 ClC1=NC(=CC=C1)I ADE000334 [0,0,0,1,0,0|3,0,0]=4 41 B8R1.4 FC1=CC=CC(=N1)Br CDS002875 [0,0,0,1,0,0|3,0,0]=4 42 B8R1.4 NC1=CC=CC(=C1)Cl S642665 [0,0,0,1,0,0|3,0,0]=4 43 B8R1.4 NC1=CC=CC(=N1)O CDS008897 [0,0,0,1,0,0|2,0,0]=3 44 B8R1.4 NC1=CC=NC(=C1)O CDS020248 [0,0,0,1,0,0|3,0,0]=4 45 B8R1.4 NC1=NC(=CC=C1)I ADE000340 [0,0,0,1,0,0|3,0,0]=4 46 B8R1.4 O=C1C=C(C=CN1)I KOB0152 [0,0,0,1,0,0|3,0,0]=4 47 B8R1.4 OC1=CC=CC(=N1)O S458678 [0,0,0,1,0,0|2,0,0]=3 48 B8R1.4 OC1=CN=CC(=C1)F CDS006721 [0,0,0,1,0,0|3,0,0]=4 49 B8R1.4 OC1=CN=CC(=C1)I ADE000435 [0,0,0,1,0,0|3,0,0]=4 50 B8R1.4 OC1=NC(=CN=C1)Cl CBR01733 [0,0,0,1,0,0|3,0,0]=4 51 B8R1.7 CC(=O)C1=CNC=C1 CDS015198 [0,0,0,1,0,0|2,0,1]=4 52 B8R1.7 CC(=O)C1=NC=CN1 CBR02095 [0,0,0,1,0,0|3,0,0]=4 53 B8R1.7 N=C(N)C1=CC=CO1 CBR00909 [0,0,0,1,0,0|3,0,0]=4 54 B8R1.7 NC(=O)C1=CC=CN1 CDS004399 [0,0,0,1,0,0|2,0,0]=3 55 B8R1.7 NC(=O)C1=CN=CS1 CDS020516 [0,0,0,1,0,0|3,0,0]=4 56 B8R1.7 NC(=O)C1=CSC=N1 CDS006757 [0,0,0,1,0,0|3,0,0]=4 57 B8R1.7 NC(=S)C1=CC=CN1 BOG00082 [0,0,0,1,0,0|2,1,0]=4 58 B8R1.7 NC(=S)C1=CC=CO1 BOG00126 [0,0,0,1,0,0|2,1,0]=4 59 B8R1.7 NC(=S)C1=CC=CS1 CDS014286 [0,0,0,1,0,0|2,1,0]=4 60 B8R1.7 O=C(O)C1=CC=CO1 S927228 [0,0,0,1,0,0|1,0,0]=2 61 B8R1.7 O=C(O)C1=CC=NN1 CDS005690 [0,0,0,1,0,0|2,0,0]=3 62 B8R1.7 O=C(O)C1=CC=NS1 CDS010046 [0,0,0,1,0,0|2,0,0]=3 63 B8R1.7 O=C(O)C1=CN=CS1 CDS007958 [0,0,0,1,0,0|2,0,0]=3 64 B8R1.7 O=C(O)C1=CN=NN1 CDS001736 [0,0,0,1,0,0|3,0,0]=4 65 B8R1.7 O=C(O)C1=CNN=N1 CDS008829 [0,0,0,1,0,0|3,0,0]=4 66 B8R1.7 O=C(O)C1=CON=C1 CDS009962 [0,0,0,1,0,0|2,0,1]=4 67 B8R1.7 O=C(O)C1=CSN=C1 T312894 [0,0,0,1,0,0|2,0,1]=4 68 B8R1.7 O=C(O)C1=CSN=N1 CDS016592 [0,0,0,1,0,0|3,0,0]=4 69 B8R1.7 O=C(O)C1=NC=CN1 CDS019334 [0,0,0,1,0,0|2,0,0]=3 70 B8R1.7 O=C(O)C1=NON=C1 CDS009561 [0,0,0,1,0,0|3,0,0]=4 71 B8R1.7 O=C(O)C1C=CCO1 CDS025234 [0,0,0,1,0,0|1,0,2]=4 72 B8R1.22 O=C1C=CC=CC=C1 T166987 [0,0,0,1,0,0|1,0,1]=3 73 B8R1.34 O=C(O)C=C1CCC1 T165123 [0,0,0,1,0,0|0,0,2]=3 74 B8R1.35 O=C(O)/C=C\C1CC1 PH008009 [0,0,0,1,0,0|0,0,2]=3 75 B5R0.1 C=COC(=O)C S458201 [2,0,0,0,0,0|2,0,0]=4 76 B5R0.1 CC(=O)/C=C\N S312274 [2,0,0,0,0,0|2,0,0]=4 77 B5R0.1 O=C(O)/C=C/Cl R426903 [2,0,0,0,0,0|1,0,0]=3 78 B5R0.1 O=C(O)/C=C\I PH010791 [2,0,0,0,0,0|1,0,0]=3 79 B5R0.1 O=C([O-])/C=C\Cl T234753 [2,0,0,0,0,0|1,0,1]=4 80 B5R0.2 C(=O)CCC=C CDS000721 [2,0,0,0,0,0|0,0,2]=4 81 B7R0.2 COC(=O)CC(=O)O CDS001491 [1,1,0,0,0,0|1,0,1]=4 82 B7R0.5 CO/C=C(\C)/C(=O)O PH008422 [1,1,0,0,0,0|1,0,0]=3 83 B7R0.6 C(=C\C(=O)N)\C(=O)N S753254 [1,1,0,0,0,0|2,0,0]=4 84 B7R0.6 CC(C)/C=C/C(=O)O CDS003369 [1,1,0,0,0,0|0,0,1]=3 85 B9R0.14 CCCC(=CC(=O)O)CC S361712 [0,2,0,0,0,0|0,0,2]=4 86 B9R0.23 C=C(CC(=O)O)C(=O)OC R434264 [0,2,0,0,0,0|1,0,1]=4 87 B9R0.46 C/C=C/C/C=C/C(=O)OC S765929 [0,2,0,0,0,0|0,0,0]=2 88 B9R0.2 C/C=C/C=C/C=C/C(=O)O S439819 [0,2,0,0,0,0|0,0,0]=2 89 B9R0.2 CCCC/C=C/CC(=O)O CDS000466 [0,2,0,0,0,0|0,0,2]=4 90 B9R0.48 C(=C\C(=O)NCC)\C(=O)O S441392 [0,2,0,0,0,0|0,0,1]=3 91 B9R0.7 C=C(O)/C(=C/C=C(Cl)Cl)/Br S893684 [0,2,0,0,0,0|2,0,0]=4 92 B9R0.7 CC(=C/C=C(\C)/C(=O)N)C S880884 [0,2,0,0,0,0|1,0,0]=3 93 B9R0.7 CC(Br)C(Br)/C=C/C(=O)O S860026 [0,2,0,0,0,0|0,0,2]=4 94 B9R0.13 C/C=C/C=C(\C#N)/C(=O)O PH010529 [0,2,0,0,0,0|0,0,0]=2 95 B9R0.42 C=C(CC(=O)OC)C(=O)O S295248 [0,2,0,0,0,0|1,0,1]=4 96 B9R0.42 C=C(CC(=O)OC)C(=O)O S950076 [0,2,0,0,0,0|1,0,1]=4 97 B7R1.2 BrC1=CC=C(O1)Br CDS000239 [1,0,0,1,0,0|2,0,0]=4 98 B7R1.2 O=C1C=CC(=O)O1 S453374 [1,0,0,1,0,0|1,0,0]=3 99 B7R1.3 NC1=CC=CC=C1 S698326 [1,0,0,1,0,0|2,0,0]=4 100 B7R1.3 NC1=CC=CC=N1 S822329 [1,0,0,1,0,0|2,0,0]=4 101 B7R1.3 O=C1C=CC=CN1 T160121 [1,0,0,1,0,0|1,0,0]=3 102 B7R1.3 O=C1C=CNC=C1 T161470 [1,0,0,1,0,0|2,0,0]=4 103 B7R1.3 O=C1C=CSC=C1 T162035 [1,0,0,1,0,0|2,0,0]=4 104 B7R1.3 OC1=CC=NC=C1 CDS013613 [1,0,0,1,0,0|2,0,0]=4 105 B7R1.3 [O-]C1=CC=CC=C1 CDS001581 [1,0,0,1,0,0|1,0,1]=4 106 B7R1.3 [S-]C1=CC=CC=C1 S578991 [1,0,0,1,0,0|1,1,0]=4 107 B7R1.1 CSC1=CC=CS1 R436550 [1,0,0,1,0,0|1,1,0]=4 108 B7R1.1 Cl[Hg]C1=CC=CO1 S813176 [1,0,0,1,0,0|2,0,0]=4 109 B7R1.1 O=CC1=CC=NN1 CDS003145 [1,0,0,1,0,0|2,0,0]=4 110 B7R1.1 O=CC1=NNC=C1 CDS009918 [1,0,0,1,0,0|2,0,0]=4 111 B7R1.1 O=CC1=NOC=C1 CDS009683 [1,0,0,1,0,0|2,0,0]=4 112 B7R1.1 OCC1=CC=CN1 CDS009556 [1,0,0,1,0,0|1,0,1]=4 113 B7R1.24 C1=CCCC=CC1 T178241 [1,0,0,1,0,0|1,0,1]=4 114 B9R1.7 CCCC1=CC=C(O1)C L159743 [0,1,0,1,0,0|1,0,1]=4 115 B9R1.7 CNCC1=CC=C(O1)C CDS003835 [0,1,0,1,0,0|1,0,1]=4 116 B9R1.13 CC(=O)CC1=CC=CO1 CDS001522 [0,1,0,1,0,0|2,0,0]=4 117 B9R1.13 NC(=O)CC1=CC=CS1 S90671 [0,1,0,1,0,0|2,0,0]=4 118 B9R1.13 O=C(O)C=C1CCCC1 S757934 [0,1,0,1,0,0|0,0,2]=4 119 B9R1.13 O=C(O)CC1=CNC=C1 CDS023068 [0,1,0,1,0,0|0,0,2]=4 120 B9R1.13 O=C(O)CC1=CSC=N1 CDS019681 [0,1,0,1,0,0|1,0,1]=4 121 B9R1.13 O=C(O)CC1=CSC=N1 OTV000637 [0,1,0,1,0,0|1,0,1]=4 122 B9R1.13 O=C(O)CC1=NC=CS1 CDS019262 [0,1,0,1,0,0|1,0,1]=4 123 B9R1.34 CC1=CC(=CC(=C1)Br)F CDS003810 [0,1,0,1,0,0|2,0,0]=4 124 B9R1.34 CC1=CC(=CC(=N1)C)N CDS019979 [0,1,0,1,0,0|2,0,0]=4 125 B9R1.34 CC1=CC(=CC(=N1)C)O PH010817 [0,1,0,1,0,0|2,0,0]=4 126 B9R1.34 CC1=CC(=CC(=N1)O)O PH010608 [0,1,0,1,0,0|1,0,0]=3 127 B9R1.34 CC1=CC(=CC(=O)N1)O L479489 [0,1,0,1,0,0|1,0,0]=3 128 B9R1.34 CC1=CC(=CC(=O)N1)O OTV000023 [0,1,0,1,0,0|1,0,0]=3 129 B9R1.34 CC1=CC(=NC(=C1)C)C SYX00268 [0,1,0,1,0,0|2,0,0]=4 130 B9R1.34 CC1=CC(=NC(=N1)O)C S368512 [0,1,0,1,0,0|2,0,0]=4 131 B9R1.34 CC1=CC(=NC(=O)N1)C PH000309 [0,1,0,1,0,0|2,0,0]=4 132 B9R1.34 CC1=CC(=S)C=C(O1)C S874272 [0,1,0,1,0,0|1,0,0]=3 133 B9R1.34 CC1=CC(=[O+]C(=C1)C)C S24105 [0,1,0,1,0,0|1,0,1]=4 134 B9R1.34 CC1=CC(=[O+]C(=C1)C)C S626848 [0,1,0,1,0,0|1,0,1]=4 135 B9R1.34 CC1=CC(=[O+]C(=C1)C)C S920134 [0,1,0,1,0,0|1,0,1]=4 136 B9R1.34 CC1=NC(=CC(=N1)O)Cl MNO000006 [0,1,0,1,0,0|2,0,0]=4 137 B9R1.34 CC1=NC(=CC(=N1)O)Cl S379018 [0,1,0,1,0,0|2,0,0]=4 138 B9R1.41 CC(=O)C1=C(NN=C1)C CBR01622 [0,1,0,1,0,0|2,0,0]=4 139 B9R1.41 CC(=O)C1=CNC=C1C L164399 [0,1,0,1,0,0|1,0,0]=3 140 B9R1.41 CC1=C(C=CN1)C(=O)O CBR01791 [0,1,0,1,0,0|0,0,0]=2 141 B9R1.41 CC1=C(C=CS1)C(=O)O PH005181 [0,1,0,1,0,0|0,0,0]=2 142 B9R1.41 CC1=C(C=NO1)C(=O)Cl SYX00343 [0,1,0,1,0,0|2,0,0]=4 143 B9R1.41 CC1=C(N=CS1)C(=O)O CDS007674 [0,1,0,1,0,0|1,0,0]=3 144 B9R1.41 CC1=C(NC=C1)C(=O)O T325260 [0,1,0,1,0,0|0,0,0]=2 145 B9R1.41 CC1=C(NC=N1)C(=O)O CDS007137 [0,1,0,1,0,0|1,0,0]=3 146 B9R1.41 CC1=C(ON=C1)C(=O)O CDS012084 [0,1,0,1,0,0|1,0,0]=3 147 B9R1.41 CC1=C(SC=C1)[N+](=O)[O-] PH003225 [0,1,0,1,0,0|1,0,1]=4 148 B9R1.41 CC1=NSC=C1C(=O)O CVT00118 [0,1,0,1,0,0|1,0,0]=3 149 B9R1.41 CN1C=CC=C1C(=O)Cl PH016725 [0,1,0,1,0,0|1,0,0]=3 150 B9R1.41 CN1C=CN=C1C(=O)Cl PH018704 [0,1,0,1,0,0|2,0,0]=4 151 B9R1.41 CN1C=CN=C1C(=O)[O-] CDS003312 [0,1,0,1,0,0|1,0,1]=4 152 B9R1.41 NC(=O)C1=C(SC=C1)N CDS007582 [0,1,0,1,0,0|2,0,0]=4 153 B9R1.41 NC1=C(C=NN1)C(=O)O CDS005670 [0,1,0,1,0,0|2,0,0]=4 154 B9R1.41 NC1=NSC=C1C(=O)O CBR02439 [0,1,0,1,0,0|2,0,0]=4 155 B9R1.41 O=C(Cl)C1=C(C=CS1)Br PH010582 [0,1,0,1,0,0|2,0,0]=4 156 B9R1.41 O=C(Cl)C1=C(C=CS1)Cl CDS013694 [0,1,0,1,0,0|2,0,0]=4 157 B9R1.41 O=C(O)C1=C(C=CN1)Cl T266515 [0,1,0,1,0,0|1,0,0]=3 158 B9R1.41 O=C(O)C1=C(C=CO1)Br CDS020682 [0,1,0,1,0,0|1,0,0]=3 159 B9R1.41 O=C(O)C1=C(OC=C1)Cl PH008831 [0,1,0,1,0,0|1,0,0]=3 160 B9R1.41 O=C(O)C1=NNC=C1I R432806 [0,1,0,1,0,0|2,0,0]=4 161 B9R1.1 O=CC1=CC=C(N=C1)O CDS004063 [0,1,0,1,0,0|2,0,0]=4 162 B9R1.1 O=CC1=CNC(=O)C=C1 CDS007603 [0,1,0,1,0,0|2,0,0]=4 163 B9R1.2 BrCC1=CC=CC(=N1)Br CDS022451 [0,1,0,1,0,0|2,0,0]=4 164 B9R1.2 C#CC1=CC=CC(=N1)C CBR02079 [0,1,0,1,0,0|2,0,0]=4 165 B9R1.2 C(=O)C1=CC=CC(=N1)F CDS021920 [0,1,0,1,0,0|2,0,0]=4 166 B9R1.2 CC1=CC(=CC=C1)[IH2]=O T330566 [0,1,0,1,0,0|1,0,0]=3 167 B9R1.2 CC1=CC(=CC=N1)CO L499730 [0,1,0,1,0,0|2,0,0]=4 168 B9R1.2 CC1=CC=CC(=C1)CS PH011231 [0,1,0,1,0,0|1,1,0]=4 169 B9R1.2 CC1=CC=CC(=N1)CCl CBR01903 [0,1,0,1,0,0|2,0,0]=4 170 B9R1.2 CC1=CN=CC(=C1)C=O CDS015706 [0,1,0,1,0,0|2,0,0]=4 171 B9R1.2 CC1=NC(=CC=C1)CCl CDS021719 [0,1,0,1,0,0|2,0,0]=4 172 B9R1.2 CC1=NC(=CC=N1)CO CBR01737 [0,1,0,1,0,0|2,0,0]=4 173 B9R1.2 CCC1=CC=CC(=C1)Br CDS013673 [0,1,0,1,0,0|2,0,0]=4 174 B9R1.2 CCC1=NC(=CC=C1)C S580031 [0,1,0,1,0,0|2,0,0]=4 175 B9R1.2 CNC1=CC(=CC=C1)N S604097 [0,1,0,1,0,0|2,0,0]=4 176 B9R1.2 COC1=CC=CC(=C1)N CDS000467 [0,1,0,1,0,0|2,0,0]=4 177 B9R1.2 COC1=CC=CC(=N1)N ADE000359 [0,1,0,1,0,0|2,0,0]=4 178 B9R1.2 COC1=CN=CC(=C1)O ADE000384 [0,1,0,1,0,0|2,0,0]=4 179 B9R1.2 COC1=NC(=CC=C1)I ADE000332 [0,1,0,1,0,0|2,0,0]=4 180 B9R1.2 CSC1=CC=CC(=C1)O KOB0118 [0,1,0,1,0,0|1,0,0]=3 181 B9R1.2 CSC1=NC=CC(=N1)O S217336 [0,1,0,1,0,0|2,0,0]=4 182 B9R1.2 CSC1=NC=CC(=N1)O S440043 [0,1,0,1,0,0|2,0,0]=4 183 B9R1.2 NCC1=CC(=CC=C1)O CDS016848 [0,1,0,1,0,0|1,0,0]=3 184 B9R1.2 NCC1=CC=CC(=N1)Br CDS015880 [0,1,0,1,0,0|2,0,0]=4 185 B9R1.2 NCC1=NC(=CC=C1)Br CDS009036 [0,1,0,1,0,0|2,0,0]=4 186 B9R1.2 O=CC1=CC=NC(=C1)O CDS008008 [0,1,0,1,0,0|2,0,0]=4 187 B9R1.2 OCC1=NC(=CC=C1)I ADE000341 [0,1,0,1,0,0|2,0,0]=4 188 B9R1.3 CC1=C(C(=CC=C1)Cl)S R262153 [0,1,0,1,0,0|1,1,0]=4 189 B9R1.3 CC1=C(C=CC=C1O)Cl CDS003050 [0,1,0,1,0,0|2,0,0]=4 190 B9R1.3 CC1=CC=CC(=C1Br)Cl CDS003391 [0,1,0,1,0,0|2,0,0]=4 191 B9R1.3 CC1=CC=CC(=O)N1C T294608 [0,1,0,1,0,0|1,0,0]=3 192 B9R1.3 CC1=CC=CC(=[N+]1C)C R255319 [0,1,0,1,0,0|2,0,0]=4 193 B9R1.3 CC1=CC=CC(=[N+]1C)C S874248 [0,1,0,1,0,0|2,0,0]=4 194 B9R1.3 CC1=COC=C(C1=O)C T162310 [0,1,0,1,0,0|2,0,0]=4 195 B9R1.3 NC1=C(C=CC=C1I)O CDS007998 [0,1,0,1,0,0|2,0,0]=4 196 B9R1.3 NC1=C(C=CC=C1O)O CDS003448 [0,1,0,1,0,0|2,0,0]=4 197 B9R1.3 NC1=C(C=CC=C1O)O PH009922 [0,1,0,1,0,0|2,0,0]=4 198 B9R1.3 NC1=CC=CC(=C1O)Br CDS020010 [0,1,0,1,0,0|2,0,0]=4 199 B9R1.3 NC1=CC=CC(=C1O)Cl TMT00393 [0,1,0,1,0,0|2,0,0]=4 200 B9R1.3 OC1=C(C(=CC=C1)Cl)F CDS003101 [0,1,0,1,0,0|2,0,0]=4 201 B9R1.11 C/C(=N/O)/C1=CC=CO1 S602906 [0,1,0,1,0,0|2,0,0]=4 202 B9R1.11 C/C(=N\O)/C1=CC=CN1 L166960 [0,1,0,1,0,0|2,0,0]=4 203 B9R1.11 CCC(=O)C1=CC=CN1 CDS000726 [0,1,0,1,0,0|2,0,0]=4 204 B9R1.11 CCC(=O)C1=CC=CO1 CDS001525 [0,1,0,1,0,0|2,0,0]=4 205 B9R1.11 COC(=O)C1=NNC=C1 CDS009495 [0,1,0,1,0,0|2,0,0]=4 206 B9R1.21 CSC1=CC=C(S1)C=O CDS013663 [0,1,0,1,0,0|1,1,0]=4 207 B9R1.21 N1C(=CC=C1CC)C=O CBR01642 [0,1,0,1,0,0|1,0,1]=4 208 B9R1.50 O=C1C=CC=CC=CC1 T179078 [0,1,0,1,0,0|1,0,1]=4 209 B9R1.50 O=C1CC=CCCOC1 T168858 [0,1,0,1,0,0|0,0,2]=4 210 B9R1.79 COC(=O)C=C1COC1 SYX00415 [0,1,0,1,0,0|1,0,1]=4 211 B9R1.6 O=C(Cl)C1=CC=CN=C1 TMT00021 [0,1,0,1,0,0|1,0,1]=4 212 B9R1.6 O=C(Cl)C1=NC=CC=C1 CDS000333 [0,1,0,1,0,0|1,0,1]=4 213 B9R1.6 O=C(O)C1=CC=CC=N1 S172049 [0,1,0,1,0,0|0,0,1]=3 214 B9R1.6 O=C(O)C1=CC=CC=N1 S488666 [0,1,0,1,0,0|0,0,1]=3 215 B9R1.6 O=C(O)C1=CN=CN=C1 CDS003995 [0,1,0,1,0,0|1,0,1]=4 216 B9R1.6 O=C(O)C1=COCCC1 CDS022220 [0,1,0,1,0,0|0,0,2]=4 217 B9R1.6 O=C(O)C1=COCCO1 T325333 [0,1,0,1,0,0|1,0,1]=4 218 B9R1.6 O=C(O)C1C=CCC=C1 T167908 [0,1,0,1,0,0|0,0,2]=4 219 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [0,1,0,1,0,0|0,0,2]=4 220 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [0,1,0,1,0,0|1,0,1]=4 221 B9R1.85 O=C(O)/C=C/NC1CC1 L164003 [0,1,0,1,0,0|0,0,2]=4 222 B9R1.35 CC(=O)C1=CC=C(S1)C S552038 [0,1,0,1,0,0|1,0,0]=3 223 B9R1.35 CC(=O)C1=CN=C(O1)N CBR01750 [0,1,0,1,0,0|2,0,0]=4 224 B9R1.35 CC(=O)C1=CNC(=N1)C PH000026 [0,1,0,1,0,0|2,0,0]=4 225 B9R1.35 CC1=CC(=CS1)C(=O)O SYX00379 [0,1,0,1,0,0|1,0,0]=3 226 B9R1.35 CC1=CC=C(O1)B(O)O CDS019945 [0,1,0,1,0,0|1,0,1]=4 227 B9R1.35 CC1=CC=C(O1)C(=O)[O-] R127981 [0,1,0,1,0,0|0,0,1]=3 228 B9R1.35 CC1=CC=C(O1)[N+](=O)[O-] R397482 [0,1,0,1,0,0|1,0,1]=4 229 B9R1.35 CC1=CNC(=N1)C(=O)O CBR02470 [0,1,0,1,0,0|1,0,0]=3 230 B9R1.35 CC1=CSC(=N1)C(=O)O CDS022513 [0,1,0,1,0,0|1,0,0]=3 231 B9R1.35 CC1=NC(=NO1)C(=O)O CDS019560 [0,1,0,1,0,0|2,0,0]=4 232 B9R1.35 CC1=NC=C(S1)C(=O)O ANV00256 [0,1,0,1,0,0|1,0,0]=3 233 B9R1.35 CC1=NOC(=C1)C(=O)O PH000227 [0,1,0,1,0,0|2,0,0]=4 234 B9R1.35 NC(=O)C1=CC=C(S1)Br CBR00204 [0,1,0,1,0,0|2,0,0]=4 235 B9R1.35 NC1=CSC(=C1)C(=O)O CDS010170 [0,1,0,1,0,0|1,0,0]=3 236 B9R1.35 NC1=NC(=CS1)C(=O)O CDS003787 [0,1,0,1,0,0|2,0,0]=4 237 B9R1.35 NC1=NC=C(O1)C(=O)O CDS023546 [0,1,0,1,0,0|2,0,0]=4 238 B9R1.35 NC1=NC=C(S1)C(=O)O CDS004559 [0,1,0,1,0,0|2,0,0]=4 239 B9R1.35 N[C@@H]1C=C[C@@H](C1)C(=O)O CDS007467 [0,1,0,1,0,0|0,0,2]=4 240 B9R1.35 O=C(Cl)C1=CC(=CS1)Br CDS013861 [0,1,0,1,0,0|2,0,0]=4 241 B9R1.35 O=C(O)C1=CC=C(O1)Cl CDS012743 [0,1,0,1,0,0|1,0,0]=3 242 B9R1.35 O=C(O)C1=CN=C(S1)Cl CDS005928 [0,1,0,1,0,0|2,0,0]=4 243 B9R1.35 O=C(O)C1=CNC(=N1)O CDS002053 [0,1,0,1,0,0|2,0,0]=4 244 B9R1.35 O=C(O)C1=CSC(=C1)Br CDS013228 [0,1,0,1,0,0|1,0,1]=4 245 B9R1.35 O=C(O)C1=CSC(=N1)Br CDS004762 [0,1,0,1,0,0|2,0,0]=4 246 B9R1.35 O=C(O)C1=CSC(=N1)Br SYX00342 [0,1,0,1,0,0|2,0,0]=4 247 B9R1.35 O=C(O)C1=CSC(=N1)Cl JRD0388 [0,1,0,1,0,0|2,0,0]=4 248 B9R1.35 O=C1NC=C(N1)C(=O)O CBR00002 [0,1,0,1,0,0|2,0,0]=4 249 B9R1.69 CC1=C(C=C(C=C1)F)O CDS003102 [0,1,0,1,0,0|2,0,0]=4 250 B9R1.69 CC1=C(C=CC(=C1)Cl)I PH011333 [0,1,0,1,0,0|2,0,0]=4 251 B9R1.69 CC1=C(C=CC(=C1)F)S KOB0166 [0,1,0,1,0,0|2,0,0]=4 252 B9R1.69 CC1=C(C=CC(=C1)O)N S430048 [0,1,0,1,0,0|1,0,0]=3 253 B9R1.69 CC1=C(C=CC(=C1)S)F KOB0143 [0,1,0,1,0,0|1,1,0]=4 254 B9R1.69 CC1=C(C=CC(=N1)N)I ADE000318 [0,1,0,1,0,0|2,0,0]=4 255 B9R1.69 CC1=C(C=CC(=N1)O)I BCH00049 [0,1,0,1,0,0|1,0,0]=3 256 B9R1.69 CC1=C(N=C(C=C1)Br)C CBR01845 [0,1,0,1,0,0|2,0,0]=4 257 B9R1.69 CC1=CC(=C(C=C1)Br)Cl CDS003121 [0,1,0,1,0,0|2,0,0]=4 258 B9R1.69 CC1=CC(=C(C=C1)Cl)C T332828 [0,1,0,1,0,0|2,0,0]=4 259 B9R1.69 CC1=CC(=CC=C1N)N S442275 [0,1,0,1,0,0|2,0,0]=4 260 B9R1.69 CC1=CC=C(C(=C1)Br)N S741949 [0,1,0,1,0,0|2,0,0]=4 261 B9R1.69 CC1=CC=C(C(=C1)Br)N S908630 [0,1,0,1,0,0|2,0,0]=4 262 B9R1.69 CC1=CC=C(C(=C1)F)O CDS010738 [0,1,0,1,0,0|2,0,0]=4 263 B9R1.69 CC1=CC=C(C(=C1)I)I S943894 [0,1,0,1,0,0|2,0,0]=4 264 B9R1.69 CC1=CC=C(C(=C1)N)N S446149 [0,1,0,1,0,0|2,0,0]=4 265 B9R1.69 CC1=CC=C(C=C1F)O CDS000245 [0,1,0,1,0,0|2,0,0]=4 266 B9R1.69 CC1=CN=C(C(=C1)O)Cl ADE000745 [0,1,0,1,0,0|2,0,0]=4 267 B9R1.69 CC1=NC(=C(C=C1)Br)F CDS021914 [0,1,0,1,0,0|2,0,0]=4 268 B9R1.69 CC1=NC(=C(C=C1)F)Br AGN00010 [0,1,0,1,0,0|2,0,0]=4 269 B9R1.69 CC1=NC(=C(C=C1)O)C S291315 [0,1,0,1,0,0|2,0,0]=4 270 B9R1.69 CC1=NC(=CC=C1F)Br CDS002984 [0,1,0,1,0,0|2,0,0]=4 271 B9R1.69 NC1=CC=C(C(=C1)O)N S579009 [0,1,0,1,0,0|2,0,0]=4 272 B9R1.69 OC1=CC(=C(C=C1)Br)Cl CDS001095 [0,1,0,1,0,0|2,0,0]=4 273 B9R1.69 OC1=CC(=CC=C1Cl)Br CDS003254 [0,1,0,1,0,0|2,0,0]=4 274 B9R1.69 OC1=CC=C(C(=C1)Br)Cl CDS020664 [0,1,0,1,0,0|2,0,0]=4