0 B12R1.125 CC(=O)NCC1=C(Br)C=CC=C1 BB31-8714 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 BB31-8656 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.125 O=C(O)C#CC1=C(F)C=CC=C1 BB32-3709 [0,0,0,0,0,0|1,0,2]=3 3 B11R1.91 NC(=O)CNC1=CC=CC=C1 BB32-1447 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.91 O=C(O)C#CC1=CC=NC=C1 BB31-5726 [1,0,0,0,0,0|1,0,2]=4 5 B11R1.91 O=C(O)C#CC1=CN=CC=C1 BB32-3318 [1,0,0,0,0,0|1,0,2]=4 6 B11R1.91 O=C(O)CCC1=CC=NC=C1 BB52-8563 [1,0,0,0,0,0|1,0,2]=4 7 B11R1.91 O=C(O)CCC1=NC=CC=C1 BB52-8590 [1,0,0,0,0,0|1,0,2]=4 8 B11R1.91 O=C(O)COC1=CN=CC=C1 BB31-6546 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.91 O=C(O)CSC1=NC=CC=C1 BB52-3334 [1,0,0,0,0,0|2,0,1]=4 10 B13R1.90 COC1=C(\C=C\C(=O)O)C=CC=N1 BB31-1900 [0,1,0,0,0,0|1,0,0]=2 11 B13R1.90 N#CC1=C(CCC(=O)O)C=CC=C1 BB31-8035 [0,1,0,0,0,0|1,0,2]=4 12 B13R1.150 CC1=CC=CC(CCC(=O)O)=C1C BB32-1098 [0,1,0,0,0,0|1,0,2]=4 13 B13R1.164 CC1=CC(Cl)=C(OCC(=O)O)C=C1 BB32-3371 [0,1,0,0,0,0|2,0,1]=4 14 B13R1.164 NC(=O)\C=C\C1=C(Cl)C=C(Cl)C=C1 BB12-5131 [0,1,0,0,0,0|2,0,0]=3 15 B13R1.164 O=C(Cl)\C=C\C1=C(Cl)C=C(Cl)C=C1 BB12-5132 [0,1,0,0,0,0|2,0,0]=3 16 B13R1.164 O=C(O)CCC1=C(Cl)C=C(Br)C=C1 BB31-1524 [0,1,0,0,0,0|1,0,2]=4 17 B13R1.164 O=C(O)COC1=C(F)C=C(Br)C=C1 BB32-2853 [0,1,0,0,0,0|2,0,1]=4 18 B13R1.164 OC(=O)\C=C\C1=CC=C(Cl)C=C1Cl BB12-5130 [0,1,0,0,0,0|1,0,0]=2 19 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1F BB52-3340 [0,1,0,0,0,0|1,0,2]=4 20 B13R1.201 N[C@H](CC(=O)O)C1=C(O)C=CC=C1 BB31-7273 [0,1,0,0,0,0|0,0,2]=3 21 B13R1.893 O=C(O)CCC1=C(Br)C=CC(F)=C1 BB31-0071 [0,1,0,0,0,0|1,0,2]=4 22 B13R1.893 O=C(O)CCC1=C(Cl)C=CC(Cl)=C1 BB32-3755 [0,1,0,0,0,0|1,0,2]=4 23 B13R1.3787 CC1=CC=CC(C)=C1NCC(=O)O BB31-8478 [0,1,0,0,0,0|2,0,1]=4 24 B13R1.3787 CC1=CC=CC(Cl)=C1OCC(=O)O BB31-3990 [0,1,0,0,0,0|2,0,1]=4 25 B13R1.3787 O=C(O)COC1=C(Cl)C=CC=C1Cl BB32-2967 [0,1,0,0,0,0|2,0,1]=4 26 B13R2.435 NC(=O)C1=CC2=C(C=CC=C2)N1 BB32-0448 [0,0,0,1,0,0|2,0,0]=3 27 B13R2.435 NC(=O)C1=CC2=C(N=CC=C2)N1 BB32-1130 [0,0,0,1,0,0|3,0,0]=4 28 B13R2.435 NC(=O)C1=CC2=CC=CC=C2O1 BB52-4124 [0,0,0,1,0,0|1,0,0]=2 29 B13R2.435 NC(=O)C1=CN2C=CC=CC2=N1 BB32-2117 [0,0,0,1,0,0|3,0,0]=4 30 B13R2.435 NC(=O)C1=NC2=C(C=CC=C2)N1 BB31-5523 [0,0,0,1,0,0|3,0,0]=4 31 B13R2.435 NC(=O)C1=NN2C=CC=CC2=C1 BB31-6403 [0,0,0,1,0,0|3,0,0]=4 32 B13R2.435 NC(=S)C1=CC2=C(C=CC=C2)N1 BB32-3186 [0,0,0,1,0,0|2,1,0]=4 33 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)N1 BB32-0944 [0,0,0,1,0,0|2,0,0]=3 34 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)S1 BB31-4928 [0,0,0,1,0,0|1,1,0]=3 35 B13R2.435 O=C(O)C1=CN2C=CC=CC2=C1 BB32-1633 [0,0,0,1,0,0|2,0,0]=3 36 B13R2.435 O=C(O)C1=CN2C=CC=NC2=N1 BB31-4743 [0,0,0,1,0,0|3,0,0]=4 37 B13R2.435 O=C(O)C1=CN2N=CC=CC2=C1 BB31-5215 [0,0,0,1,0,0|3,0,0]=4 38 B13R2.435 O=C(O)C1=CN2N=CC=CC2=N1 BB31-3273 [0,0,0,1,0,0|3,0,0]=4 39 B13R2.435 O=C(O)C1=NN2C=CC=CC2=C1 BB51-0827 [0,0,0,1,0,0|2,0,0]=3 40 B13R2.435 O=C(O)C1=NN2C=CC=CC2=N1 BB31-6515 [0,0,0,1,0,0|3,0,0]=4 41 B13R2.5179 BrC1=CC=C2C(Br)=CC=CC2=C1 BB31-3997 [0,0,0,1,0,0|3,0,0]=4 42 B13R2.5179 CC1=CC=C2C(Cl)=CC=CC2=N1 BB32-2473 [0,0,0,1,0,0|3,0,0]=4 43 B13R2.5179 CC1=CC=C2C(O)=CC=NC2=C1 BB31-6889 [0,0,0,1,0,0|3,0,0]=4 44 B13R2.5179 CC1=CN=C2C(O)=CC=CC2=C1 BB31-7012 [0,0,0,1,0,0|3,0,0]=4 45 B13R2.5179 NC1=CC=C2C(O)=CC=CC2=C1 BB31-6036 [0,0,0,1,0,0|2,0,0]=3 46 B13R2.5179 NC1=CC=CC2=C1C=CC(=O)N2 BB32-3197 [0,0,0,1,0,0|2,0,0]=3 47 B13R2.5179 O=C1C=CC2=C(Br)C=CC=C2N1 BB31-7109 [0,0,0,1,0,0|2,0,0]=3 48 B13R2.5179 O=C1C=CC2=C(C=CC=C2O)N1 BB31-4990 [0,0,0,1,0,0|1,0,0]=2 49 B13R2.5179 O=C1C=CC2=C(F)C=CC=C2N1 BB32-3348 [0,0,0,1,0,0|2,0,0]=3 50 B13R2.5179 OC1=C2C=CC(Br)=CC2=CC=C1 BB31-5139 [0,0,0,1,0,0|2,0,0]=3 51 B13R2.5179 OC1=C2C=CC(F)=CC2=CC=C1 BB31-8653 [0,0,0,1,0,0|2,0,0]=3 52 B13R2.5179 OC1=C2N=CC(Cl)=CC2=CC=C1 BB31-9242 [0,0,0,1,0,0|3,0,0]=4 53 B13R2.5179 OC1=CC=C2C(=C1)N=CN=C2O BB32-0613 [0,0,0,1,0,0|3,0,0]=4 54 B13R2.5179 OC1=CC=C2C(Br)=CC=NC2=C1 BB31-3573 [0,0,0,1,0,0|3,0,0]=4 55 B11R1.86 CC(=O)NC1=C(I)C=CC=C1 BB31-8198 [0,0,0,0,1,0|3,0,0]=4 56 B11R1.86 CC(=O)NC1=C(N)C=CC=C1 BB12-7660 [0,0,0,0,1,0|3,0,0]=4 57 B11R1.86 O=C(O)CC1=C(Cl)C=CC=N1 BB31-5786 [0,0,0,0,1,0|2,0,1]=4 58 B11R1.86 O=C(O)CC1=C(F)C=CC=N1 BB31-0028 [0,0,0,0,1,0|2,0,1]=4 59 B11R1.86 O=C(O)CN1C=CC=CC1=O BB52-8012 [0,0,0,0,1,0|1,0,2]=4 60 B13R1.158 O=C(O)CCCC1=C(F)C=CC=C1 BB32-0723 [0,0,0,0,0,1|1,0,2]=4 61 B13R1.158 O=C(O)CCCC1=C(O)C=CC=C1 BB32-1832 [0,0,0,0,0,1|0,0,2]=3 62 B13R1.158 O=C(O)CCOC1=C(Br)C=CC=C1 BB31-3294 [0,0,0,0,0,1|1,0,2]=4 63 B10R1.4 O\N=C\C1=C(F)C=CC=C1 BB31-4287 [2,0,0,0,0,0|2,0,0]=4 64 B10R1.17 OC\C=C\C1=CC=NC=C1 BB32-0874 [2,0,0,0,0,0|1,0,1]=4 65 B10R1.17 OC\C=C\C1=CN=CC=C1 BB31-9453 [2,0,0,0,0,0|1,0,1]=4 66 B10R1.17 OC\C=C\C1=NC=CC=C1 BB31-1899 [2,0,0,0,0,0|1,0,1]=4 67 B12R1.1631 O=C\C=C\C1=C(F)C=CC=C1F BB31-0540 [1,1,0,0,0,0|1,0,0]=3 68 B12R1.21 CC1=CC=C(C#CC(=O)O)C=C1 BB31-7651 [1,1,0,0,0,0|0,0,2]=4 69 B12R1.21 CC1=CC=C(\C=C\B(O)O)C=C1 BB31-5385 [1,1,0,0,0,0|1,0,1]=4 70 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 BB12-5412 [1,1,0,0,0,0|0,0,2]=4 71 B12R1.21 O=C(O)\C=C\C1=NC=C(F)C=C1 BB31-7518 [1,1,0,0,0,0|1,0,0]=3 72 B12R1.27 COC(=O)CNC1=CC=CC=C1 BB32-1728 [1,1,0,0,0,0|1,0,1]=4 73 B12R1.43 C[C@H](NC1=CC=CC=C1)C(=O)O BB31-3006 [1,1,0,0,0,0|1,0,1]=4 74 B12R1.43 O=C(O)[C@H](Br)CC1=CC=CC=C1 BB31-7674 [1,1,0,0,0,0|0,0,2]=4 75 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 BB32-3562 [1,1,0,0,0,0|2,0,0]=4 76 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 BB31-5440 [1,1,0,0,0,0|0,0,2]=4 77 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 BB31-5414 [1,1,0,0,0,0|0,0,2]=4 78 B12R1.226 O=C(O)C#CC1=CC=CC(Cl)=C1 BB31-6988 [1,1,0,0,0,0|0,0,2]=4 79 B12R1.226 OB(O)\C=C\C1=CC=CC(F)=C1 BB31-6629 [1,1,0,0,0,0|1,0,1]=4 80 B12R1.124 CC(C(=O)O)C1=C(Cl)C=CC=C1 BB31-8139 [0,1,0,0,1,0|1,0,1]=4 81 B12R1.124 NC(C(=O)O)C1=C(O)C=CC=C1 BB31-4343 [0,1,0,0,1,0|0,0,1]=3 82 B12R1.124 NC1=C(C(=O)C(=O)[O-])C=CC=C1 BB31-3615 [0,1,0,0,1,0|1,0,1]=4 83 B12R1.124 O=C(O)C(=O)C1=C(Cl)C=CC=C1 BB31-4381 [0,1,0,0,1,0|1,0,0]=3 84 B12R1.127 CC1=CC(CC(=O)O)=C(F)C=C1 BB31-3778 [0,1,0,0,1,0|1,0,1]=4 85 B12R1.233 NC1=C(CC(=O)O)C=CC(Cl)=C1 BB31-3653 [0,1,0,0,1,0|1,0,1]=4 86 B12R1.233 O=C(O)CC1=C(Br)C=C(O)C=C1 BB31-6426 [0,1,0,0,1,0|1,0,1]=4 87 B14R1.96 COC1=C(OCCC(=O)O)C=CC=C1 BB32-1054 [0,1,0,0,0,1|0,0,2]=4 88 B14R1.103 COC1=CC(F)=C(\C=C\C(=O)O)C=C1 BB31-7015 [0,2,0,0,0,0|1,0,0]=3 89 B14R1.727 COC(=O)\C=C\C1=C(Cl)C=C(Cl)C=C1 BB12-5129 [0,2,0,0,0,0|1,0,0]=3 90 B14R1.5971 O=C(O)C(=O)NC1=C(F)C=CC=C1F BB31-9395 [0,2,0,0,0,0|2,0,0]=4 91 B14R1.598 CCOC(=O)CCC1=C(O)C=CC=C1 BB31-4130 [0,2,0,0,0,0|0,0,2]=4 92 B14R1.598 CCOC(=O)\C=C\C1=C(F)C=CC=C1 BB31-6357 [0,2,0,0,0,0|1,0,0]=3 93 B14R1.2335 CSC1=CC(CCC(=O)O)=C(O)C=C1 BB32-0391 [0,2,0,0,0,0|0,0,2]=4 94 B12R1.258 NC(=O)C1=CC=CC(C(=O)O)=C1 BB32-2509 [0,0,1,1,0,0|1,0,1]=4 95 B12R1.453 O=C(O)C1=C(O)C=CC(CO)=C1 BB31-5687 [0,0,1,1,0,0|1,0,1]=4 96 B12R2.24 FC1=NC2=CC=CC=C2C=C1 BB31-4902 [1,0,0,1,0,0|2,0,0]=4 97 B12R2.24 O=C1C=CC2=C(C=CC=N2)N1 BB31-0331 [1,0,0,1,0,0|2,0,0]=4 98 B12R2.32 O=CC1=CC2=C(C=CN=C2)N1 BB32-2985 [1,0,0,1,0,0|2,0,0]=4 99 B12R2.32 O=CC1=CC2=CC=CN=C2S1 BB32-2422 [1,0,0,1,0,0|1,1,0]=4 100 B12R2.1081 NC1=C2C=CC=NC2=CC=C1 BB52-4676 [1,0,0,1,0,0|2,0,0]=4 101 B12R2.3190 O=C(O)C1CC2=C1C=CC=C2 BB31-2766 [1,0,0,1,0,0|0,0,2]=4 102 B12R2.202 CC1=CC2=C(O)C=CC=C2N1 BB31-5698 [0,0,0,1,1,0|2,0,0]=4 103 B12R2.202 O=C1CC2=C(C=CC=C2O)N1 BB31-7693 [0,0,0,1,1,0|1,0,1]=4 104 B12R2.202 OC1=CC=CC2=C1NC(=S)O2 BB31-5941 [0,0,0,1,1,0|1,1,0]=4 105 B12R2.252 O=C(O)C1=CC2=C(N1)SC=C2 BB32-2687 [0,0,0,1,1,0|2,0,0]=4 106 B14R2.768 O=C(O)CC1=NC2=CC=CC=C2N1 BB52-0905 [0,0,0,1,0,1|1,0,1]=4 107 B14R2.781 CC(=O)C1=CC2=CC=CC=C2N=C1 BB31-5758 [0,0,0,1,0,1|2,0,0]=4 108 B14R2.781 O=C(O)C1=CC2=CC=CC=C2OC1 BB51-1488 [0,0,0,1,0,1|1,0,1]=4 109 B14R2.781 O=C(O)C1=CC2=CC=CN=C2N=C1 BB31-9318 [0,0,0,1,0,1|2,0,0]=4 110 B14R2.781 O=C(O)C1=CC2=CC=NC=C2C=C1 BB31-4766 [0,0,0,1,0,1|2,0,0]=4 111 B14R2.781 O=C(O)C1=CC2=CN=CC=C2C=C1 BB31-4784 [0,0,0,1,0,1|2,0,0]=4 112 B14R2.781 O=C(O)C1=CC2=CN=CC=C2N=C1 BB31-0243 [0,0,0,1,0,1|2,0,0]=4 113 B14R2.8032 CC1=C2NC=C(C(=O)O)C2=NC=C1 BB31-0730 [0,0,0,1,0,1|2,0,0]=4 114 B14R2.8032 CC1=CC=CC2=C(C(=O)O)C=NN12 BB31-3143 [0,0,0,1,0,1|2,0,0]=4 115 B14R2.8032 O=C(O)C1=CNC2=C(Br)C=CC=C12 BB31-6545 [0,0,0,1,0,1|1,0,0]=3 116 B14R2.8032 O=C(O)C1=CNC2=C1C=CC=C2O BB32-1262 [0,0,0,1,0,1|0,0,0]=2 117 B14R2.8032 O=C(O)C1=NNC2=C(Cl)C=CC=C12 BB31-1880 [0,0,0,1,0,1|2,0,0]=4 118 B14R2.2 O=C(O)CC1=CSC2=C1C=CC=C2 BB31-5396 [0,1,0,1,0,0|0,1,1]=4 119 B14R2.450 CC(=O)C1=C(N)C2=CC=CC=C2O1 BB52-8372 [0,1,0,1,0,0|1,0,0]=3 120 B14R2.450 CC1=C(C(=O)O)CC2=C1C=CC=C2 BB31-5807 [0,1,0,1,0,0|1,0,0]=3 121 B14R2.450 CC1=C(C(=O)O)N=C2C=CC=CN21 BB31-0832 [0,1,0,1,0,0|2,0,0]=4 122 B14R2.450 NC(=O)C1=C(Cl)C2=CC=CC=C2S1 BB52-4017 [0,1,0,1,0,0|1,1,0]=4 123 B14R2.450 NC1=C(C(=O)O)SC2=C1C=CC=C2 BB32-1371 [0,1,0,1,0,0|0,1,0]=3 124 B14R2.450 NC1=C(C(=O)O)SC2=NC=CC=C21 BB52-5905 [0,1,0,1,0,0|1,1,0]=4 125 B14R2.450 O=C(Cl)C1=C(Cl)C2=C(C=CC=C2)S1 BB52-5061 [0,1,0,1,0,0|1,1,0]=4 126 B14R2.1073 COC1=C2C=CC(Cl)=NC2=CC=C1 BB31-3269 [0,1,0,1,0,0|2,0,0]=4 127 B14R2.1073 COC1=CC=CC2=C1C=CC(=O)N2 BB31-3270 [0,1,0,1,0,0|1,0,0]=3 128 B14R2.7969 CC1=CC=CC2=C1C=C(C(=O)O)S2 BB31-3400 [0,1,0,1,0,0|0,1,0]=3 129 B14R2.7969 CC1=CC=CC2=C1OC(C(=O)O)=C2 BB32-0840 [0,1,0,1,0,0|0,0,0]=2 130 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CC=C2N1 BB52-6028 [0,1,0,1,0,0|1,0,0]=3 131 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CN=C2N1 BB32-0067 [0,1,0,1,0,0|2,0,0]=4 132 B14R2.7969 O=C(O)C1=CC2=C(N1)C(O)=CC=C2 BB31-6787 [0,1,0,1,0,0|1,0,0]=3 133 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2N1 BB52-6029 [0,1,0,1,0,0|1,0,0]=3 134 B14R2.7969 O=C(O)C1=CC2=CC=CC(F)=C2N1 BB52-6030 [0,1,0,1,0,0|1,0,0]=3 135 B14R2.4529 CC(=O)C1=CC2=C(C=C(Br)C=C2)O1 BB31-9406 [0,1,0,1,0,0|1,0,0]=3 136 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)O2 BB31-7591 [0,1,0,1,0,0|0,0,0]=2 137 B14R2.4529 CC1=CC2=C(C=C1)OC(B(O)O)=C2 BB31-9972 [0,1,0,1,0,0|1,0,1]=4 138 B14R2.4529 CC1=CC2=C(C=C1)OC(C(=O)O)=C2 BB31-0318 [0,1,0,1,0,0|0,0,0]=2 139 B14R2.4529 CC1=CC2=C(N=C1)NC(C(=O)O)=C2 BB31-5257 [0,1,0,1,0,0|2,0,0]=4 140 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)O1 BB32-2611 [0,1,0,1,0,0|0,0,0]=2 141 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)O1 BB31-4369 [0,1,0,1,0,0|0,0,0]=2 142 B14R2.4529 O=C(O)C1=CC2=C(C=C(O)C=C2)O1 BB31-4948 [0,1,0,1,0,0|0,0,0]=2 143 B14R2.4529 O=C(O)C1=CC2=C(N=C(Cl)C=C2)N1 BB31-4833 [0,1,0,1,0,0|2,0,0]=4 144 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2N1 BB31-2334 [0,1,0,1,0,0|2,0,0]=4 145 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CN=C2N1 BB31-6840 [0,1,0,1,0,0|2,0,0]=4 146 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=NC=C2N1 BB31-6928 [0,1,0,1,0,0|2,0,0]=4 147 B14R2.4529 O=C(O)C1=CC2=CC(F)=CN=C2N1 BB31-7332 [0,1,0,1,0,0|2,0,0]=4 148 B14R2.4529 O=C(O)C1=CC2=CN=C(Cl)C=C2N1 BB31-5024 [0,1,0,1,0,0|2,0,0]=4 149 B14R2.4529 O=C(O)C1=CC2=NC=C(Br)C=C2N1 BB31-1436 [0,1,0,1,0,0|2,0,0]=4 150 B14R2.4529 O=C(O)C1=CC2=NC=C(Cl)C=C2N1 BB31-9359 [0,1,0,1,0,0|2,0,0]=4 151 B14R2.4529 O=C(O)C1=CN2C=CC(Br)=CC2=N1 BB31-0259 [0,1,0,1,0,0|2,0,0]=4 152 B14R2.4529 O=C(O)C1=NC2=C(C=CC(Cl)=C2)S1 BB32-1381 [0,1,0,1,0,0|1,1,0]=4 153 B14R2.4529 O=C(O)C1=NC2=CC(Cl)=CC=C2N1 BB52-8433 [0,1,0,1,0,0|2,0,0]=4 154 B14R2.4529 O=C(O)C1=NC2=CC(F)=CC=C2N1 BB52-8434 [0,1,0,1,0,0|2,0,0]=4 155 B14R2.4529 OB(O)C1=CC2=C(C=CC(Cl)=C2)O1 BB32-1157 [0,1,0,1,0,0|1,0,1]=4 156 B14R2.4529 OB(O)C1=CC2=C(C=CC(F)=C2)O1 BB32-2720 [0,1,0,1,0,0|1,0,1]=4 157 B14R2.28480 O=C1C=C(O)C2=C(Cl)C=CC=C2O1 BB32-2744 [0,1,0,1,0,0|1,0,0]=3 158 B14R2.972 COC(=N)C1=NC2=CC=CC=C2O1 BB52-8661 [0,1,0,1,0,0|2,0,0]=4 159 B14R2.972 COC(=O)C1=CC2=C(C=NC=C2)S1 BB31-8559 [0,1,0,1,0,0|1,1,0]=4 160 B14R2.972 COC(=O)C1=CC2=CC=CN=C2S1 BB32-0535 [0,1,0,1,0,0|1,1,0]=4 161 B14R2.972 COC(=O)C1=CN2C=CC=CC2=C1 BB32-0550 [0,1,0,1,0,0|2,0,0]=4 162 B14R2.972 COC(=O)C1=NN2C=CC=CC2=C1 BB31-6241 [0,1,0,1,0,0|2,0,0]=4 163 B10R1.61 CC(=O)C1=C(O)C=NC=C1 BB32-1019 [0,0,0,0,2,0|2,0,0]=4 164 B10R1.61 NC(=O)C1=C(O)C=NC=C1 BB31-0185 [0,0,0,0,2,0|2,0,0]=4