0 B7R0.4 C=CCSCC(=O)O BB12-3265 [0,0,0,0,0,0|1,0,3]=4 1 B7R0.4 CCCNCC(=O)O BB20-0186 [0,0,0,0,0,0|1,0,3]=4 2 B7R0.4 CCCOCC(=O)O BB55-7872 [0,0,0,0,0,0|1,0,3]=4 3 B7R0.4 CCCSCC(=O)O BB12-3263 [0,0,0,0,0,0|1,0,3]=4 4 B7R0.4 CCSCCC(=O)O BB12-3270 [0,0,0,0,0,0|1,0,3]=4 5 B6R0.4 CCSCC(=O)O BB12-3264 [1,0,0,0,0,0|1,0,2]=4 6 B6R0.4 CNCCC(=O)O BB12-1452 [1,0,0,0,0,0|1,0,2]=4 7 B8R0.5 CCNC(=O)CC(=O)O BB57-2976 [0,1,0,0,0,0|1,0,2]=4 8 B8R0.9 CCC(=O)CCC(=O)O BB57-6622 [0,1,0,0,0,0|0,0,3]=4 9 B8R0.9 CCC(=O)NCC(=O)O BB55-4733 [0,1,0,0,0,0|1,0,2]=4 10 B8R1.1 CC1=CC=C(C#N)O1 BB12-3501 [0,0,0,1,0,0|2,0,1]=4 11 B8R1.1 N#CC1=CC=C(Br)O1 BB54-0436 [0,0,0,1,0,0|2,0,1]=4 12 B8R1.1 O=CC1=CC=C(Cl)S1 BB05-2319 [0,0,0,1,0,0|2,1,0]=4 13 B8R1.1 OCC1=CC=C(Br)O1 BB90-0114 [0,0,0,1,0,0|2,0,1]=4 14 B8R1.4 CC1=CC=NC(O)=N1 BB12-3694 [0,0,0,1,0,0|2,0,0]=3 15 B8R1.4 CC1=CC=NC(S)=N1 BB12-1615 [0,0,0,1,0,0|2,1,0]=4 16 B8R1.4 CC1=NC(Cl)=CC=N1 BB58-3773 [0,0,0,1,0,0|3,0,0]=4 17 B8R1.4 CC1=NC=CC(N)=C1 BB54-4750 [0,0,0,1,0,0|3,0,0]=4 18 B8R1.4 NC1=NC(Br)=CC=C1 BB20-4632 [0,0,0,1,0,0|3,0,0]=4 19 B8R1.4 O=C1C=NC=C(Cl)N1 BB12-1098 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.4 OC1=NC(Cl)=CN=C1 BB57-1435 [0,0,0,1,0,0|3,0,0]=4 21 B8R1.7 CC(=O)C1=NC=CN1 BB58-3749 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.7 NC(=O)C1=NNC=C1 BB05-4560 [0,0,0,1,0,0|3,0,0]=4 23 B8R1.7 O=C(Cl)C1=CC=NN1 BB58-3477 [0,0,0,1,0,0|3,0,0]=4 24 B8R1.7 O=C(O)C1=CN=CS1 BB55-7267 [0,0,0,1,0,0|2,0,0]=3 25 B8R1.7 O=C(O)C1=CN=NN1 BB90-0079 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.7 O=C(O)C1=CN=S=N1 BB54-5267 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.7 O=C(O)C1=CNN=C1 BB01-4399 [0,0,0,1,0,0|2,0,1]=4 28 B8R1.7 O=C(O)C1=CNN=C1 BB05-1411 [0,0,0,1,0,0|2,0,1]=4 29 B8R1.7 O=C(O)C1=NNC=N1 BB54-0770 [0,0,0,1,0,0|3,0,0]=4 30 B8R1.7 O=C(O)C1=NOC=C1 BB20-4533 [0,0,0,1,0,0|2,0,0]=3 31 B8R1.7 O=C(O)[C@H]1C=CCN1 BB32-2958 [0,0,0,1,0,0|1,0,2]=4 32 B8R1.7 O=C([O-])C1=NC=CS1 BB54-4045 [0,0,0,1,0,0|2,0,1]=4 33 B8R1.7 OB(O)C1=CC=CO1 BB56-0777 [0,0,0,1,0,0|2,0,1]=4 34 B7R0.2 CNC(=O)CC(=O)O BB55-4725 [1,1,0,0,0,0|1,0,1]=4 35 B7R0.5 CCNC(=O)C(=O)O BB57-2473 [1,1,0,0,0,0|1,0,1]=4 36 B9R0.7 CC(C)=CC[C@H](N)C(=O)O BB32-0842 [0,2,0,0,0,0|0,0,2]=4 37 B7R1.2 BrC1=CC=C(Br)O1 BB57-2079 [1,0,0,1,0,0|2,0,0]=4 38 B7R1.2 CC1=CC=C(N)S1 BB55-4553 [1,0,0,1,0,0|1,1,0]=4 39 B7R1.1 O=CC1=CN=CS1 BB55-8342 [1,0,0,1,0,0|2,0,0]=4 40 B7R1.1 O=CC1=CSC=N1 BB57-0141 [1,0,0,1,0,0|2,0,0]=4 41 B7R1.4 CC1=C(Br)SC=C1 BB56-2325 [1,0,0,1,0,0|2,0,0]=4 42 B7R1.4 CC1=CNNC1=O BB58-3426 [1,0,0,1,0,0|2,0,0]=4 43 B9R1.13 CC(=O)CC1=CC=CS1 BB12-3710 [0,1,0,1,0,0|2,0,0]=4 44 B9R1.13 O=C(O)CC1=CC=CN1 BB58-0483 [0,1,0,1,0,0|1,0,0]=3 45 B9R1.13 O=C(O)CC1=CSC=N1 BB54-4129 [0,1,0,1,0,0|1,0,1]=4 46 B9R1.13 O=C(O)CN1C=CC=C1 BB55-6532 [0,1,0,1,0,0|0,0,2]=4 47 B9R1.34 CC1=NC(C)=NC(O)=C1 BB12-0059 [0,1,0,1,0,0|2,0,0]=4 48 B9R1.41 CC(=O)C1=C(C)N=CS1 BB57-3729 [0,1,0,1,0,0|2,0,0]=4 49 B9R1.41 CC(=O)C1=C(C)NN=C1 BB54-5351 [0,1,0,1,0,0|2,0,0]=4 50 B9R1.41 CC(=O)C1=CC=NN1C BB57-0010 [0,1,0,1,0,0|2,0,0]=4 51 B9R1.41 CC(=O)C1=NC=CN1C BB58-3607 [0,1,0,1,0,0|2,0,0]=4 52 B9R1.41 CC1=C(C(=O)Cl)C=NO1 BB55-3635 [0,1,0,1,0,0|2,0,0]=4 53 B9R1.41 CC1=C(C(=O)O)C=CN1 BB57-2151 [0,1,0,1,0,0|0,0,0]=2 54 B9R1.41 CC1=C(C(=O)O)N=CN1 BB12-2055 [0,1,0,1,0,0|1,0,0]=3 55 B9R1.41 CC1=C(C(=O)O)N=CO1 BB57-4109 [0,1,0,1,0,0|1,0,0]=3 56 B9R1.41 CC1=C(C(=O)O)N=CS1 BB26-0189 [0,1,0,1,0,0|1,0,0]=3 57 B9R1.41 CC1=C(C(=O)O)N=CS1 BB58-0096 [0,1,0,1,0,0|1,0,0]=3 58 B9R1.41 CC1=C(C(=O)O)N=NN1 BB90-0028 [0,1,0,1,0,0|2,0,0]=4 59 B9R1.41 CC1=C(C(=O)O)NC=N1 BB12-3121 [0,1,0,1,0,0|1,0,0]=3 60 B9R1.41 CC1=C(C(=O)O)NN=N1 BB11-0155 [0,1,0,1,0,0|2,0,0]=4 61 B9R1.41 CC1=C(C(=O)O)SC=N1 BB12-3519 [0,1,0,1,0,0|1,0,0]=3 62 B9R1.41 CC1=NNN=C1C(=O)O BB05-1755 [0,1,0,1,0,0|2,0,0]=4 63 B9R1.41 CC1=NOC=C1C(=O)O BB54-4442 [0,1,0,1,0,0|1,0,0]=3 64 B9R1.41 CC1=NON=C1C(=O)O BB05-3774 [0,1,0,1,0,0|2,0,0]=4 65 B9R1.41 CC1=NON=C1C(=O)O BB54-1436 [0,1,0,1,0,0|2,0,0]=4 66 B9R1.41 CN1N=CC=C1C(=O)Cl BB05-0927 [0,1,0,1,0,0|2,0,0]=4 67 B9R1.41 CN1N=CC=C1C(=O)Cl BB55-4535 [0,1,0,1,0,0|2,0,0]=4 68 B9R1.41 CN1N=CC=C1C(N)=O BB05-2051 [0,1,0,1,0,0|2,0,0]=4 69 B9R1.41 CN1N=CC=C1C(N)=O BB57-1547 [0,1,0,1,0,0|2,0,0]=4 70 B9R1.41 NC(=O)C1=C(N)SC=C1 BB05-1379 [0,1,0,1,0,0|2,0,0]=4 71 B9R1.41 NC1=C(C(=O)O)NN=C1 BB55-4193 [0,1,0,1,0,0|2,0,0]=4 72 B9R1.41 NC1=C(C(=O)O)SC=C1 BB53-1404 [0,1,0,1,0,0|1,0,0]=3 73 B9R1.41 NC1=CNN=C1C(=O)O BB05-3792 [0,1,0,1,0,0|2,0,0]=4 74 B9R1.41 NC1=CNN=C1C(=O)O BB54-4948 [0,1,0,1,0,0|2,0,0]=4 75 B9R1.41 NC1=CSN=C1C(=O)O BB57-0568 [0,1,0,1,0,0|2,0,0]=4 76 B9R1.41 NC1=NNC=C1C(=O)O BB54-0604 [0,1,0,1,0,0|2,0,0]=4 77 B9R1.41 O=C(O)C1=C(Br)C=NN1 BB55-3823 [0,1,0,1,0,0|2,0,0]=4 78 B9R1.41 O=C(O)C1=C(Cl)C=NN1 BB56-2893 [0,1,0,1,0,0|2,0,0]=4 79 B9R1.41 O=C(O)C1=C(I)C=NN1 BB55-3048 [0,1,0,1,0,0|2,0,0]=4 80 B9R1.41 O=C(O)C1=NNC=C1Br BB05-0862 [0,1,0,1,0,0|2,0,0]=4 81 B9R1.41 O=C(O)C1=NNC=C1Br BB54-1515 [0,1,0,1,0,0|2,0,0]=4 82 B9R1.41 O=C(O)C1=NNC=C1Cl BB05-0005 [0,1,0,1,0,0|2,0,0]=4 83 B9R1.41 O=C(O)C1=NNC=C1I BB05-0857 [0,1,0,1,0,0|2,0,0]=4 84 B9R1.2 C=CC1=CC(O)=CC=C1 BB58-0330 [0,1,0,1,0,0|1,0,1]=4 85 B9R1.2 CC1=CC(NN)=CC=C1 BB56-2532 [0,1,0,1,0,0|2,0,0]=4 86 B9R1.2 CC1=CC=CC(CN)=N1 BB58-1073 [0,1,0,1,0,0|2,0,0]=4 87 B9R1.2 CCC1=CC=NC(O)=N1 BB12-3719 [0,1,0,1,0,0|1,0,1]=4 88 B9R1.2 CNC1=CC(C)=CC=C1 BB01-7304 [0,1,0,1,0,0|2,0,0]=4 89 B9R1.2 CNC1=CC(F)=CC=C1 BB01-7291 [0,1,0,1,0,0|2,0,0]=4 90 B9R1.2 N#CC1=CC(O)=CC=C1 BB20-4617 [0,1,0,1,0,0|1,0,1]=4 91 B9R1.2 NCC1=CC=CC(Cl)=C1 BB01-4636 [0,1,0,1,0,0|2,0,0]=4 92 B9R1.2 OCC1=NC(O)=CC=C1 BB57-1045 [0,1,0,1,0,0|1,0,0]=3 93 B9R1.3 CC1=C(N)C(N)=CC=C1 BB12-3003 [0,1,0,1,0,0|2,0,0]=4 94 B9R1.3 CC1=CC=CC(N)=C1O BB55-6937 [0,1,0,1,0,0|1,0,0]=3 95 B9R1.3 NC1=C(O)C(Cl)=CC=C1 BB12-1563 [0,1,0,1,0,0|2,0,0]=4 96 B9R1.11 COC(=O)C1=CC=CN1 BB54-1949 [0,1,0,1,0,0|1,0,0]=3 97 B9R1.11 COC(=O)C1=CC=NO1 BB05-4453 [0,1,0,1,0,0|2,0,0]=4 98 B9R1.11 COC(=O)C1=CC=NO1 BB54-4360 [0,1,0,1,0,0|2,0,0]=4 99 B9R1.11 COC(=O)C1=CNC=N1 BB20-4625 [0,1,0,1,0,0|2,0,0]=4 100 B9R1.11 COC(=O)C1=NNC=C1 BB12-1846 [0,1,0,1,0,0|2,0,0]=4 101 B9R1.11 C\C(=N/O)C1=CC=CO1 BB05-0882 [0,1,0,1,0,0|2,0,0]=4 102 B9R1.11 C\C(=N\O)C1=CC=CO1 BB01-6608 [0,1,0,1,0,0|2,0,0]=4 103 B9R1.11 C\C(=N\O)C1=CC=CS1 BB01-6607 [0,1,0,1,0,0|2,0,0]=4 104 B9R1.11 NNC(=O)C1=CC=CN1 BB01-6450 [0,1,0,1,0,0|2,0,0]=4 105 B9R1.11 NNC(=O)C1=CC=CO1 BB01-6372 [0,1,0,1,0,0|2,0,0]=4 106 B9R1.6 O=C(O)C1=CC=CN=N1 BB58-3622 [0,1,0,1,0,0|1,0,0]=3 107 B9R1.6 O=C(O)C1=CC=NC=N1 BB54-3716 [0,1,0,1,0,0|1,0,0]=3 108 B9R1.23 O=CC1=CC(Br)=C(Br)O1 BB17-1111 [0,1,0,1,0,0|2,0,0]=4 109 B9R1.35 CC(=O)C1=CN=C(N)O1 BB57-6487 [0,1,0,1,0,0|2,0,0]=4 110 B9R1.35 CC(=O)C1=CSC(C)=N1 BB55-8336 [0,1,0,1,0,0|2,0,0]=4 111 B9R1.35 CC(=O)C1=NC(C)=CN1 BB57-7193 [0,1,0,1,0,0|2,0,0]=4 112 B9R1.35 CC1=CC(C(=O)Cl)=CS1 BB55-5691 [0,1,0,1,0,0|2,0,0]=4 113 B9R1.35 CC1=CC(C(=O)O)=CS1 BB55-0634 [0,1,0,1,0,0|1,0,0]=3 114 B9R1.35 CC1=CC=C(C(=N)N)O1 BB12-3708 [0,1,0,1,0,0|2,0,0]=4 115 B9R1.35 CC1=CC=C(C(=O)Cl)S1 BB55-5571 [0,1,0,1,0,0|1,0,0]=3 116 B9R1.35 CC1=CC=C(C(N)=S)S1 BB50-0406 [0,1,0,1,0,0|1,1,0]=4 117 B9R1.35 CC1=CN=C(C(=O)[O-])S1 BB55-8350 [0,1,0,1,0,0|1,0,1]=4 118 B9R1.35 CC1=CNC(C(=O)O)=N1 BB12-3671 [0,1,0,1,0,0|1,0,0]=3 119 B9R1.35 CC1=CSC(C(=O)[O-])=N1 BB55-4757 [0,1,0,1,0,0|1,0,1]=4 120 B9R1.35 CC1=NC(C(=O)Cl)=CO1 BB58-1914 [0,1,0,1,0,0|2,0,0]=4 121 B9R1.35 CC1=NC(C(=O)O)=CS1 BB01-2835 [0,1,0,1,0,0|1,0,0]=3 122 B9R1.35 CC1=NC(C(=O)O)=NN1 BB54-5129 [0,1,0,1,0,0|2,0,0]=4 123 B9R1.35 CC1=NC=C(C(=O)O)N1 BB90-0104 [0,1,0,1,0,0|1,0,0]=3 124 B9R1.35 CC1=NC=C(C(=O)O)S1 BB57-5871 [0,1,0,1,0,0|1,0,0]=3 125 B9R1.35 CC1=NOC(C(=O)O)=C1 BB05-2690 [0,1,0,1,0,0|2,0,0]=4 126 B9R1.35 CC1=NOC(C(=O)O)=C1 BB54-1988 [0,1,0,1,0,0|2,0,0]=4 127 B9R1.35 CN1C=C(C(=O)O)C=N1 BB54-3240 [0,1,0,1,0,0|2,0,0]=4 128 B9R1.35 CN1C=CC(C(=O)Cl)=N1 BB05-0928 [0,1,0,1,0,0|2,0,0]=4 129 B9R1.35 CN1C=CC(C(=O)Cl)=N1 BB55-4536 [0,1,0,1,0,0|2,0,0]=4 130 B9R1.35 CN1C=CC(C(=O)O)=N1 BB54-1623 [0,1,0,1,0,0|1,0,0]=3 131 B9R1.35 CN1C=CC(C(N)=O)=N1 BB05-4815 [0,1,0,1,0,0|2,0,0]=4 132 B9R1.35 CN1C=CC(C(N)=O)=N1 BB58-2005 [0,1,0,1,0,0|2,0,0]=4 133 B9R1.35 CN1C=NC(C(=O)O)=C1 BB54-2031 [0,1,0,1,0,0|2,0,0]=4 134 B9R1.35 CN1C=NC(C(=O)O)=N1 BB58-4987 [0,1,0,1,0,0|2,0,0]=4 135 B9R1.35 NC(=O)C1=CC(Br)=CS1 BB57-1176 [0,1,0,1,0,0|2,0,0]=4 136 B9R1.35 NC(=O)C1=CC=C(Br)O1 BB55-4785 [0,1,0,1,0,0|2,0,0]=4 137 B9R1.35 NC(=O)C1=CC=C(Br)S1 BB55-4786 [0,1,0,1,0,0|2,0,0]=4 138 B9R1.35 NC1=CC(C(=O)O)=NN1 BB55-3807 [0,1,0,1,0,0|2,0,0]=4 139 B9R1.35 NC1=NC(C(=O)O)=CS1 BB55-6527 [0,1,0,1,0,0|2,0,0]=4 140 B9R1.35 NC1=NC=C(C(=O)O)S1 BB57-4014 [0,1,0,1,0,0|2,0,0]=4 141 B9R1.35 NC1=NNC(C(=O)O)=C1 BB05-1116 [0,1,0,1,0,0|2,0,0]=4 142 B9R1.35 O=C(Cl)C1=CC(Br)=CS1 BB55-5706 [0,1,0,1,0,0|2,0,0]=4 143 B9R1.35 O=C(Cl)C1=CC=C(Br)S1 BB55-5569 [0,1,0,1,0,0|2,0,0]=4 144 B9R1.35 O=C(O)C1=CC(Br)=CS1 BB05-1234 [0,1,0,1,0,0|1,0,0]=3 145 B9R1.35 O=C(O)C1=CC(Br)=CS1 BB55-0644 [0,1,0,1,0,0|1,0,0]=3 146 B9R1.35 O=C(O)C1=CC(Cl)=NO1 BB54-5230 [0,1,0,1,0,0|2,0,0]=4 147 B9R1.35 O=C(O)C1=CSC(Br)=N1 BB58-0325 [0,1,0,1,0,0|2,0,0]=4 148 B9R1.35 O=C1NC=C(C(=O)O)N1 BB26-0164 [0,1,0,1,0,0|2,0,0]=4 149 B9R1.35 O=C1NC=C(C(=O)O)N1 BB58-0110 [0,1,0,1,0,0|2,0,0]=4 150 B9R1.69 CC1=CC(=O)C(O)=CN1 BB26-0805 [0,1,0,1,0,0|2,0,0]=4 151 B9R1.69 CC1=CC(=O)C(O)=CO1 BB26-0385 [0,1,0,1,0,0|2,0,0]=4 152 B9R1.69 CC1=CC=C(N)C(Cl)=N1 BB01-7740 [0,1,0,1,0,0|2,0,0]=4 153 B9R1.69 CC1=CC=C(N)C(N)=C1 BB56-0557 [0,1,0,1,0,0|2,0,0]=4 154 B9R1.69 CC1=CC=C(N)C(S)=C1 BB17-0861 [0,1,0,1,0,0|1,1,0]=4 155 B9R1.69 CC1=CC=C(O)C(Br)=N1 BB57-4115 [0,1,0,1,0,0|2,0,0]=4 156 B9R1.69 CC1=CC=C(O)C(N)=N1 BB12-2896 [0,1,0,1,0,0|2,0,0]=4 157 B9R1.69 CC1=CN=C(O)N=C1C BB58-0334 [0,1,0,1,0,0|2,0,0]=4 158 B9R1.69 CC1=NC(C)=C(N)C=C1 BB54-2202 [0,1,0,1,0,0|2,0,0]=4 159 B9R1.69 CC1=NC(C)=C(O)C=C1 BB54-5298 [0,1,0,1,0,0|2,0,0]=4 160 B9R1.69 CC1=NC=C(Cl)C(O)=N1 BB57-4302 [0,1,0,1,0,0|2,0,0]=4 161 B9R1.69 NC1=CC=C(F)C=C1O BB12-2894 [0,1,0,1,0,0|2,0,0]=4 162 B9R1.69 OC1=CC=C(F)C(Cl)=C1 BB12-4695 [0,1,0,1,0,0|2,0,0]=4