0 B11R1.91 NC(=O)CCC1=CN=CC=C1 BB31-6760 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.91 NC(=O)CNC1=CC=CC=C1 BB32-1447 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.91 O=C(O)C#CC1=CC=NC=C1 BB31-5726 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.91 O=C(O)C#CC1=CN=CC=C1 BB32-3318 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.91 O=C(O)CCC1=CC=NC=C1 BB52-8563 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.91 O=C(O)CCC1=NC=CC=C1 BB52-8590 [0,0,0,0,0,0|2,0,0]=2 6 B11R1.91 O=C(O)COC1=CN=CC=C1 BB31-6546 [0,0,0,0,0,0|1,0,0]=1 7 B11R1.91 O=C(O)CSC1=NC=CC=C1 BB52-3334 [0,0,0,0,0,0|1,1,0]=2 8 B11R1.91 O=C(O)CSC1=NC=CC=N1 BB52-1566 [0,0,0,0,0,0|2,1,0]=3 9 B10R1.17 NCCOC1=CC=NC=C1 BB32-2674 [1,0,0,0,0,0|2,0,1]=4 10 B10R1.17 NCCOC1=NC=CC=C1 BB31-4550 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.17 OCCSC1=NC=CC=C1 BB52-9072 [1,0,0,0,0,0|1,1,1]=4 12 B12R1.21 CC1=CC=C(C#CC(=O)O)C=C1 BB31-7651 [0,1,0,0,0,0|1,0,1]=3 13 B12R1.21 NC(=O)CCC1=CC=C(N)C=C1 BB12-5413 [0,1,0,0,0,0|2,0,0]=3 14 B12R1.21 NC(=O)CCC1=CC=C(O)C=C1 BB31-8097 [0,1,0,0,0,0|2,0,0]=3 15 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 BB12-5412 [0,1,0,0,0,0|1,0,0]=2 16 B12R1.21 O=C(O)\C=C\C1=NC=C(F)C=C1 BB31-7518 [0,1,0,0,0,0|2,0,1]=4 17 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 BB31-2799 [0,1,0,0,0,0|3,0,0]=4 18 B12R1.27 COC(=O)C#CC1=NC=CC=C1 BB31-6213 [0,1,0,0,0,0|2,0,1]=4 19 B12R1.27 COC(=O)CCC1=NC=CC=C1 BB31-4510 [0,1,0,0,0,0|2,0,0]=3 20 B12R1.27 COC(=O)CNC1=CC=CC=C1 BB32-1728 [0,1,0,0,0,0|1,0,0]=2 21 B12R1.43 CC(SC1=NC=CC=N1)C(=O)O BB52-1567 [0,1,0,0,0,0|2,1,0]=4 22 B12R1.43 C[C@H](NC1=CC=CC=C1)C(=O)O BB31-3006 [0,1,0,0,0,0|1,0,0]=2 23 B12R1.43 O=C(O)[C@H](Br)CC1=CC=CC=C1 BB31-7674 [0,1,0,0,0,0|1,0,0]=2 24 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 BB32-3562 [0,1,0,0,0,0|3,0,0]=4 25 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 BB31-5440 [0,1,0,0,0,0|1,0,0]=2 26 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 BB31-5414 [0,1,0,0,0,0|1,0,0]=2 27 B12R1.125 CC(=O)NCC1=C(Br)C=CC=C1 BB31-8714 [0,1,0,0,0,0|3,0,0]=4 28 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 BB31-8656 [0,1,0,0,0,0|3,0,0]=4 29 B12R1.125 O=C(O)C#CC1=C(F)C=CC=C1 BB32-3709 [0,1,0,0,0,0|1,0,1]=3 30 B12R1.226 O=C(O)C#CC1=CC=CC(Cl)=C1 BB31-6988 [0,1,0,0,0,0|1,0,1]=3 31 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 BB32-3180 [0,0,0,1,0,0|2,0,0]=3 32 B12R2.24 CC1=NC2=CC=CC=C2SC1 BB52-7622 [0,0,0,1,0,0|2,1,0]=4 33 B12R2.24 CC1COC2=C(C=CC=C2)N1 BB32-1397 [0,0,0,1,0,0|2,0,1]=4 34 B12R2.24 ClC1=NC2=CC=CC=C2SC1 BB52-6511 [0,0,0,1,0,0|2,1,0]=4 35 B12R2.24 NC1COC2=C(C=CC=C2)C1 BB31-4949 [0,0,0,1,0,0|2,0,1]=4 36 B12R2.24 O=C1COC2=C(C=NC=C2)N1 BB31-0297 [0,0,0,1,0,0|2,0,0]=3 37 B12R2.24 OC1CNC2=C(C=CC=C2)C1 BB32-1531 [0,0,0,1,0,0|2,0,1]=4 38 B12R2.3190 O=C(O)C1CC2=C1C=CC=C2 BB31-2766 [0,0,0,1,0,0|1,0,0]=2 39 B10R1.18 CC(=O)CC1=CN=CC=C1 BB32-2986 [0,0,0,0,1,0|2,0,0]=3 40 B10R1.18 N=C(N)CC1=CC=CN=C1 BB52-5807 [0,0,0,0,1,0|3,0,0]=4 41 B10R1.18 N=C(N)CC1=NC=CC=C1 BB52-5801 [0,0,0,0,1,0|3,0,0]=4 42 B10R1.18 O=C(O)CC1=NC=CN=C1 BB31-2541 [0,0,0,0,1,0|2,0,0]=3 43 B10R1.66 O=C(O)CCC1=CC=CN1 BB32-1801 [0,0,0,0,1,0|2,0,0]=3 44 B10R1.66 O=C(O)CCC1=CNC=N1 BB31-7932 [0,0,0,0,1,0|3,0,0]=4 45 B10R1.66 O=C(O)CCC1=NC=CN1 BB31-3671 [0,0,0,0,1,0|3,0,0]=4 46 B10R1.66 O=C(O)CCC1=NC=CS1 BB31-2782 [0,0,0,0,1,0|3,0,0]=4 47 B12R1.252 O=C(O)CCSC1=NC=CC=C1 BB53-1033 [0,0,0,0,0,1|1,1,0]=3 48 B12R1.252 O=C(O)CNCC1=CC=NC=C1 BB52-9214 [0,0,0,0,0,1|2,0,0]=3 49 B12R1.252 O=C(O)CNCC1=CN=CC=C1 BB52-9756 [0,0,0,0,0,1|2,0,0]=3 50 B12R1.252 O=C(O)CNCC1=NC=CC=C1 BB52-9714 [0,0,0,0,0,1|2,0,0]=3 51 B11R1.1 C#CCOC1=CC=C(Cl)C=C1 BB31-8208 [1,1,0,0,0,0|1,0,1]=4 52 B11R1.1 C#CCOC1=CC=C(F)C=C1 BB31-1095 [1,1,0,0,0,0|1,0,1]=4 53 B11R1.1 C=CCOC1=CC=C(C)C=C1 BB31-4230 [1,1,0,0,0,0|1,0,0]=3 54 B11R1.1 CC1=CC=C(OCCBr)C=C1 BB31-4045 [1,1,0,0,0,0|1,0,1]=4 55 B11R1.1 O=CCCC1=CC=C(Br)C=C1 BB31-6794 [1,1,0,0,0,0|1,0,0]=3 56 B11R1.1 O=C\C=C\C1=CC=C(O)C=C1 BB32-1043 [1,1,0,0,0,0|1,0,1]=4 57 B11R1.1 OCCCC1=CC=C(F)C=C1 BB31-7183 [1,1,0,0,0,0|1,0,1]=4 58 B11R1.16 OCCC(O)C1=CC=CC=C1 BB32-2523 [1,1,0,0,0,0|1,0,1]=4 59 B11R1.17 C#CCOC1=C(O)C=CC=C1 BB31-2647 [1,1,0,0,0,0|1,0,1]=4 60 B11R1.17 CC1=C(CCCO)C=CC=C1 BB32-0475 [1,1,0,0,0,0|1,0,1]=4 61 B11R1.17 CCCOC1=C(N)C=CC=C1 BB31-5710 [1,1,0,0,0,0|1,0,1]=4 62 B11R1.17 COCOC1=C(N)C=CC=C1 BB31-6383 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.17 OCCCC1=C(Cl)C=CC=C1 BB32-3226 [1,1,0,0,0,0|1,0,1]=4 64 B11R1.17 OCCCC1=C(F)C=CC=C1 BB31-8703 [1,1,0,0,0,0|1,0,1]=4 65 B11R1.24 CC1=CC=CC(NCCO)=C1 BB17-0632 [1,1,0,0,0,0|1,0,1]=4 66 B11R1.24 O=CCCC1=CC=CC(Br)=C1 BB31-4155 [1,1,0,0,0,0|1,0,0]=3 67 B11R1.24 OCCCC1=CC=CC(Br)=C1 BB32-3048 [1,1,0,0,0,0|1,0,1]=4 68 B11R1.24 OCCCC1=CC=CC(Cl)=C1 BB31-4195 [1,1,0,0,0,0|1,0,1]=4 69 B11R1.24 OCCCC1=CC=CC(F)=C1 BB31-2996 [1,1,0,0,0,0|1,0,1]=4 70 B11R1.28 NCCCOC1=CC=CC=C1 BB31-8683 [1,1,0,0,0,0|1,0,1]=4 71 B11R1.28 OCCC#CC1=CC=CC=C1 BB31-0301 [1,1,0,0,0,0|1,0,1]=4 72 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 BB32-3859 [0,1,0,0,1,0|1,0,0]=3 73 B11R1.20 NC(=O)CC1=NC=C(Br)C=C1 BB31-9657 [0,1,0,0,1,0|2,0,0]=4 74 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 BB31-0029 [0,1,0,0,1,0|1,0,0]=3 75 B11R1.20 O=C(O)CC1=NC=C(F)C=C1 BB31-0032 [0,1,0,0,1,0|1,0,0]=3 76 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 BB32-1369 [0,1,0,0,1,0|1,0,0]=3 77 B11R1.36 NC(C(=O)O)C1=NC=CC=C1 BB31-5646 [0,1,0,0,1,0|1,0,0]=3 78 B11R1.86 CC(=O)NC1=C(I)C=CC=C1 BB31-8198 [0,1,0,0,1,0|2,0,0]=4 79 B11R1.86 CC(=O)NC1=C(N)C=CC=C1 BB12-7660 [0,1,0,0,1,0|2,0,0]=4 80 B11R1.86 O=C(O)CC1=C(Cl)C=CC=N1 BB31-5786 [0,1,0,0,1,0|1,0,0]=3 81 B11R1.86 O=C(O)CC1=C(F)C=CC=N1 BB31-0028 [0,1,0,0,1,0|1,0,0]=3 82 B11R1.86 O=C(O)CN1C=CC=CC1=O BB52-8012 [0,1,0,0,1,0|1,0,0]=3 83 B11R1.86 O=C(O)CN1N=CC=CC1=O BB54-2728 [0,1,0,0,1,0|2,0,0]=4 84 B11R1.157 CC(=O)OC1=CC=CC(Cl)=C1 BB31-1635 [0,1,0,0,1,0|1,0,0]=3 85 B11R1.157 NC(=O)NC1=CC=CC(Br)=C1 BB31-5775 [0,1,0,0,1,0|2,0,0]=4 86 B11R1.157 O=C(O)CC1=CC(Br)=CN=C1 BB31-4723 [0,1,0,0,1,0|1,0,0]=3 87 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 BB32-2011 [0,1,0,0,1,0|1,0,0]=3 88 B11R1.157 O=C(O)CC1=CC=CC(Cl)=N1 BB31-6394 [0,1,0,0,1,0|1,0,0]=3 89 B11R1.157 O=C(O)CC1=CC=CC(F)=N1 BB31-0031 [0,1,0,0,1,0|1,0,0]=3 90 B11R1.509 CS(=N)(=O)CC1=CC=CC=C1 BB31-7855 [0,1,0,0,1,0|2,0,0]=4 91 B11R1.509 O=S(=O)([O-])OC1=CC=CC=C1 BB31-3395 [0,1,0,0,1,0|1,0,1]=4 92 B11R1.35 N[C@@H](CC1=CSC=C1)C(=O)O BB32-1298 [0,1,0,0,1,0|2,0,0]=4 93 B13R1.45 NC(=O)OCC(O)C1=CC=CC=C1 BB31-5091 [0,1,0,0,0,1|2,0,0]=4 94 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 BB32-3372 [0,1,0,0,0,1|1,0,0]=3 95 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 BB31-0164 [0,1,0,0,0,1|1,0,0]=3 96 B13R1.45 O=C(O)CNC(=O)C1=CC=CN=C1 BB52-0617 [0,1,0,0,0,1|2,0,0]=4 97 B13R1.45 O=C(O)CNC(=O)C1=CC=NC=C1 BB53-0208 [0,1,0,0,0,1|2,0,0]=4 98 B13R1.45 O=C(O)CNC(=O)C1=NC=CC=C1 BB53-0717 [0,1,0,0,0,1|2,0,0]=4 99 B13R1.149 O=C(O)CCOC1=CC=CC(Cl)=C1 BB31-6956 [0,1,0,0,0,1|0,0,0]=2 100 B13R1.158 O=C(O)CCCC1=C(F)C=CC=C1 BB32-0723 [0,1,0,0,0,1|1,0,0]=3 101 B13R1.158 O=C(O)CCCC1=C(O)C=CC=C1 BB32-1832 [0,1,0,0,0,1|1,0,0]=3 102 B13R1.158 O=C(O)CCOC1=C(Br)C=CC=C1 BB31-3294 [0,1,0,0,0,1|0,0,0]=2 103 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 BB32-1690 [0,1,0,0,0,1|2,0,0]=4 104 B13R1.348 CC(CC(=O)O)SC1=NC=CC=C1 BB53-0715 [0,1,0,0,0,1|1,1,0]=4 105 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 BB31-4405 [0,1,0,0,0,1|1,0,0]=3 106 B13R1.351 CC(CCC1=CC=CC=C1)C(=O)O BB32-0518 [0,1,0,0,0,1|1,0,0]=3 107 B13R1.351 CC(CSC1=NC=CC=C1)C(=O)O BB53-0290 [0,1,0,0,0,1|1,1,0]=4 108 B13R1.351 O=C(O)C(Br)CCC1=CC=CC=C1 BB31-3255 [0,1,0,0,0,1|1,0,0]=3 109 B13R1.718 COC(=O)CCNC1=NC=CC=C1 BB32-2272 [0,1,0,0,0,1|2,0,0]=4 110 B13R1.3 COC1=CC=C(C#CC(=O)O)C=C1 BB32-1274 [0,2,0,0,0,0|1,0,1]=4 111 B13R1.3 NC(=O)COC1=CC=C(CO)C=C1 BB12-5382 [0,2,0,0,0,0|1,0,0]=3 112 B13R1.14 COC(=O)C#CC1=CC=C(F)C=C1 BB32-1958 [0,2,0,0,0,0|1,0,1]=4 113 B13R1.14 COC(=O)CCC1=CC=C(C)C=C1 BB32-3522 [0,2,0,0,0,0|1,0,0]=3 114 B13R1.14 COC(=O)CCC1=CC=C(F)C=C1 BB31-4540 [0,2,0,0,0,0|1,0,0]=3 115 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 BB32-1808 [0,2,0,0,0,0|1,0,0]=3 116 B13R1.133 CC(CC1=CC=C(F)C=C1)C(=O)O BB32-0888 [0,2,0,0,0,0|1,0,0]=3 117 B13R1.133 O=C(O)C(O)CC1=CC=C(Cl)C=C1 BB31-4228 [0,2,0,0,0,0|1,0,0]=3 118 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(F)C=C1 BB31-1106 [0,2,0,0,0,0|1,0,0]=3 119 B13R1.164 CC1=CC(Cl)=C(OCC(=O)O)C=C1 BB32-3371 [0,2,0,0,0,0|0,0,0]=2 120 B13R1.164 O=C(O)CCC1=C(Cl)C=C(Br)C=C1 BB31-1524 [0,2,0,0,0,0|1,0,0]=3 121 B13R1.164 O=C(O)COC1=C(F)C=C(Br)C=C1 BB32-2853 [0,2,0,0,0,0|0,0,0]=2 122 B13R1.164 OC(=O)\C=C\C1=CC=C(Cl)C=C1Cl BB12-5130 [0,2,0,0,0,0|1,0,1]=4 123 B13R1.511 O=C(O)CCC1=CC(Br)=C(O)C=C1 BB31-3957 [0,2,0,0,0,0|1,0,0]=3 124 B13R1.11 COC(=O)CC(N)C1=CN=CC=C1 BB31-8370 [0,2,0,0,0,0|2,0,0]=4 125 B13R1.15 CNC(=O)CCC1=CC(N)=CC=C1 BB31-9102 [0,2,0,0,0,0|2,0,0]=4 126 B13R1.15 COC(=O)CCC1=CC=CC(F)=C1 BB32-2078 [0,2,0,0,0,0|1,0,0]=3 127 B13R1.42 O=C(COC1=CC=CC=C1)N=C=S BB12-5747 [0,2,0,0,0,0|0,1,0]=3 128 B13R1.135 CNC(=O)[C@@H](N)CC1=CC=CC=C1 BB31-5428 [0,2,0,0,0,0|2,0,0]=4 129 B13R1.135 COC(=O)C(Br)CC1=CC=CC=C1 BB32-1982 [0,2,0,0,0,0|1,0,0]=3 130 B13R1.135 COC(=O)C(Cl)CC1=CC=CC=C1 BB31-4052 [0,2,0,0,0,0|1,0,0]=3 131 B13R1.148 N[C@@H](CC1=CC=CC(I)=C1)C(=O)O BB31-4114 [0,2,0,0,0,0|1,0,0]=3 132 B13R1.418 N#CC(CC1=CC=CC=C1)C(=O)O BB32-2248 [0,2,0,0,0,0|1,0,0]=3 133 B13R1.418 NC[C@@H](CC1=CC=CC=C1)C(=O)O BB31-3737 [0,2,0,0,0,0|1,0,0]=3 134 B13R1.418 O=C(O)[C@@H](CO)CC1=CC=CC=C1 BB31-0992 [0,2,0,0,0,0|1,0,0]=3 135 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)Cl BB12-7959 [0,2,0,0,0,0|1,0,0]=3 136 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O BB12-7957 [0,2,0,0,0,0|0,0,0]=2 137 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(N)=O BB12-7958 [0,2,0,0,0,0|1,0,0]=3 138 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1F BB52-3340 [0,2,0,0,0,0|1,0,0]=3 139 B13R1.201 N[C@H](CC(=O)O)C1=C(O)C=CC=C1 BB31-7273 [0,2,0,0,0,0|1,0,0]=3 140 B13R1.90 N#CC1=C(CCC(=O)O)C=CC=C1 BB31-8035 [0,2,0,0,0,0|1,0,0]=3 141 B13R1.90 N#CC1=C(OCC(N)=O)C=CC=C1 BB32-2858 [0,2,0,0,0,0|1,0,0]=3 142 B13R1.150 CC1=CC=CC(CCC(=O)O)=C1C BB32-1098 [0,2,0,0,0,0|1,0,0]=3 143 B13R1.893 O=C(O)CCC1=C(Br)C=CC(F)=C1 BB31-0071 [0,2,0,0,0,0|1,0,0]=3 144 B13R1.893 O=C(O)CCC1=C(Cl)C=CC(Cl)=C1 BB32-3755 [0,2,0,0,0,0|1,0,0]=3 145 B13R1.3787 CC1=CC=CC(C)=C1NCC(=O)O BB31-8478 [0,2,0,0,0,0|1,0,0]=3 146 B13R1.3787 CC1=CC=CC(Cl)=C1OCC(=O)O BB31-3990 [0,2,0,0,0,0|0,0,0]=2 147 B13R1.3787 O=C(O)COC1=C(Cl)C=CC=C1Cl BB32-2967 [0,2,0,0,0,0|0,0,0]=2 148 B13R1.643 COC1=NC=CC(CCC(=O)O)=C1 BB31-0308 [0,2,0,0,0,0|2,0,0]=4 149 B13R1.643 NC(=O)COC1=CC=CC(C=O)=C1 BB12-5384 [0,2,0,0,0,0|1,0,0]=3 150 B13R1.643 NC(=O)COC1=CC=CC(CO)=C1 BB12-5385 [0,2,0,0,0,0|1,0,0]=3 151 B13R1.3420 CC(=O)COC1=CC(Cl)=CC(Cl)=C1 BB32-0479 [0,2,0,0,0,0|1,0,0]=3 152 B11R2.1 CC1=NOC2=C1C=CC=C2 BB31-4705 [1,0,0,1,0,0|2,0,0]=4 153 B11R2.1 O=C1CCC2=C1C=NC=C2 BB31-4897 [1,0,0,1,0,0|2,0,0]=4 154 B11R2.1 O=C1COC2=C1C=CN=C2 BB31-9000 [1,0,0,1,0,0|1,0,0]=3 155 B11R2.1 O=C1CSC2=C1C=CC=C2 BB31-1622 [1,0,0,1,0,0|0,1,0]=3 156 B11R2.1 O[C@@H]1CCC2=C1C=CC=C2 BB31-5413 [1,0,0,1,0,0|1,0,1]=4 157 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 BB31-4659 [1,0,0,1,0,0|1,0,1]=4 158 B11R2.20 C1=CC=C2OCCNC2=C1 BB51-1682 [1,0,0,1,0,0|1,0,1]=4 159 B11R2.20 C1=CC=C2SCC=NC2=C1 BB52-7621 [1,0,0,1,0,0|1,1,0]=4 160 B11R2.988 OCC1CC2=C1C=CC=C2 BB31-2934 [1,0,0,1,0,0|1,0,1]=4 161 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 BB32-2216 [0,0,0,1,1,0|1,0,1]=4 162 B11R2.10 NC1=NC2=CC=CC=C2O1 BB52-8718 [0,0,0,1,1,0|2,0,0]=4 163 B11R2.10 O=C1CC2=C(C=CC=N2)N1 BB31-4947 [0,0,0,1,1,0|2,0,0]=4 164 B11R2.10 O=C1CC2=C(C=NC=C2)N1 BB32-2391 [0,0,0,1,1,0|2,0,0]=4 165 B11R2.10 O=C1NC2=C(C=NC=C2)O1 BB32-3787 [0,0,0,1,1,0|2,0,0]=4 166 B11R2.10 O=C1O[N+]2=C(C=CC=C2)S1 BB31-5543 [0,0,0,1,1,0|1,1,0]=4 167 B11R2.10 S=C1CC2=C(C=CC=C2)N1 BB32-2281 [0,0,0,1,1,0|1,1,0]=4 168 B13R2.72 O=C(O)C1=C2C=CC=CC2=NO1 BB31-5182 [0,0,0,1,0,1|0,0,1]=3 169 B13R2.72 O=C(O)C1=COC2=C1C=CC=C2 BB31-4435 [0,0,0,1,0,1|0,0,1]=3 170 B13R2.72 O=C(O)C1NCC2=C1C=CC=C2 BB31-7561 [0,0,0,1,0,1|1,0,0]=3 171 B13R2.163 O=C1CCCC2=C(C=CC=C2)O1 BB31-4594 [0,0,0,1,0,1|1,0,0]=3 172 B13R2.147 O=C1CC(C2=CC=C(Br)C=C2)C1 BB31-4694 [0,1,0,1,0,0|2,0,0]=4 173 B13R2.155 O=C1CCC2=C(C=C(Br)C=C2)C1 BB31-1921 [0,1,0,1,0,0|2,0,0]=4 174 B13R2.155 O=C1CCC2=C(C=C(Cl)C=C2)C1 BB31-3459 [0,1,0,1,0,0|2,0,0]=4 175 B13R2.155 O=C1CCC2=C(C=C(Cl)C=C2)N1 BB31-2544 [0,1,0,1,0,0|2,0,0]=4 176 B13R2.155 O=C1CCC2=C(C=C(F)C=C2)C1 BB31-4546 [0,1,0,1,0,0|2,0,0]=4 177 B13R2.155 O=C1CCC2=C(C=C(F)C=C2)N1 BB32-2803 [0,1,0,1,0,0|2,0,0]=4 178 B13R2.155 O=C1COC2=C(N=C(Br)C=C2)N1 BB32-1813 [0,1,0,1,0,0|2,0,0]=4 179 B13R2.155 O=C1CSC2=C(C=C(Br)C=C2)N1 BB31-7151 [0,1,0,1,0,0|1,1,0]=4 180 B13R2.15272 COC(=O)C1CC2=C1C=CC=C2 BB32-2031 [0,1,0,1,0,0|1,0,0]=3 181 B13R2.369 O=C1OC2=C(C=CC=C2)C=C1Br BB31-7389 [0,1,0,1,0,0|1,0,1]=4 182 B13R2.435 NC(=O)C1=CC2=CC=CC=C2O1 BB52-4124 [0,1,0,1,0,0|1,0,1]=4 183 B13R2.3587 FC1=C(OC[C@@H]2CO2)C=CC=C1 BB31-7783 [0,1,0,1,0,0|1,0,1]=4 184 B13R2.5179 CC1=CC=CC2=C1OCC(=O)N2 BB31-0275 [0,1,0,1,0,0|1,0,0]=3 185 B13R2.5179 O=C1CCC2=C(Br)C=CC=C2C1 BB31-1922 [0,1,0,1,0,0|2,0,0]=4 186 B13R2.5179 O=C1CCC2=C(Cl)C=CC=C2C1 BB31-7143 [0,1,0,1,0,0|2,0,0]=4 187 B13R2.5179 O=C1COC2=C(Br)C=CC=C2N1 BB32-3834 [0,1,0,1,0,0|1,0,0]=3 188 B13R2.5179 O=C1COC2=C(C=CN=C2Cl)N1 BB31-1486 [0,1,0,1,0,0|2,0,0]=4 189 B13R2.151 O=C1CC(C2=CC=CC(Br)=C2)C1 BB31-8516 [0,1,0,1,0,0|2,0,0]=4 190 B13R2.162 O=C1CCC2=CC=CC(Cl)=C2C1 BB31-4822 [0,1,0,1,0,0|2,0,0]=4 191 B13R2.162 O=C1CCC2=CC=CC(O)=C2N1 BB32-2455 [0,1,0,1,0,0|2,0,0]=4 192 B13R2.3683 NC1=CC2=C(C=C1)OC(=O)C=C2 BB31-6037 [0,1,0,1,0,0|1,0,1]=4 193 B13R2.3683 NC1=CC=C2OC(=O)C=CC2=C1 BB52-5081 [0,1,0,1,0,0|1,0,1]=4 194 B13R2.3683 O=C1CCC2=C(C=CC(Cl)=C2)C1 BB31-3460 [0,1,0,1,0,0|2,0,0]=4 195 B13R2.3683 O=C1CCC2=C(C=CC(I)=C2)O1 BB32-0105 [0,1,0,1,0,0|1,0,0]=3 196 B13R2.3683 O=C1CCC2=C(C=CC(O)=C2)C1 BB32-2238 [0,1,0,1,0,0|2,0,0]=4 197 B13R2.3683 O=C1COC2=C(C=CC(Br)=N2)N1 BB31-1069 [0,1,0,1,0,0|2,0,0]=4 198 B13R2.3683 O=C1CSC2=C(C=CC(Br)=C2)N1 BB31-6065 [0,1,0,1,0,0|1,1,0]=4 199 B9R1.13 O=C(O)CC1=NC=CS1 BB31-4063 [0,0,0,0,2,0|2,0,0]=4 200 B9R1.13 O=C(O)CC1=NNC=C1 BB31-0343 [0,0,0,0,2,0|2,0,0]=4 201 B9R1.13 O=C(O)CN1C=CC=N1 BB52-7773 [0,0,0,0,2,0|2,0,0]=4 202 B13R1.337 CC(=O)CCCCC1=CC=CC=C1 BB31-2717 [0,0,0,0,0,2|2,0,0]=4 203 B13R1.337 O=C(O)CCCSC1=CC=CC=C1 BB31-3639 [0,0,0,0,0,2|0,1,0]=3 204 B13R1.337 O=C(O)CCNCC1=CC=CN=C1 BB52-9061 [0,0,0,0,0,2|2,0,0]=4 205 B13R1.337 O=C(O)CCNCC1=CC=NC=C1 BB52-9205 [0,0,0,0,0,2|2,0,0]=4 206 B13R1.337 O=C(O)CCNCC1=NC=CC=C1 BB52-8938 [0,0,0,0,0,2|2,0,0]=4 207 B13R1.337 O=C(O)\C=C\CCC1=CC=CC=C1 BB32-2862 [0,0,0,0,0,2|1,0,0]=3 208 B13R1.337 O=C(O)\C=N\OCC1=CC=CC=C1 BB31-8681 [0,0,0,0,0,2|0,0,1]=3