0 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 BB31-4761 [0,0,0,0,0,0|0,0,0]=0 1 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 BB31-5270 [0,0,0,0,0,0|0,0,0]=0 2 B12R2.79 NC1CC1C2=CC=C(Br)C=C2 BB31-9844 [0,1,0,0,0,0|0,0,0]=1 3 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 BB31-3897 [0,1,0,0,0,0|0,0,0]=1 4 B10R1.15 C=C(CC)C1=CC=CC=C1 BB31-3793 [0,0,1,0,0,0|1,0,2]=4 5 B10R1.15 CCC(N)C1=CC=CN=C1 BB31-0914 [0,0,1,0,0,0|3,0,0]=4 6 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 BB31-4000 [0,0,1,0,0,0|1,0,0]=2 7 B10R1.15 C[C@H](CO)C1=CC=CC=C1 BB31-5425 [0,0,1,0,0,0|1,0,0]=2 8 B10R1.15 NC(CO)C1=NC=CC=C1 BB31-5647 [0,0,1,0,0,0|3,0,0]=4 9 B10R1.17 CCCCC1=CC=CN=C1 BB31-4701 [0,0,1,0,0,0|2,0,0]=3 10 B10R1.17 ClCCSC1=NC=CC=C1 BB52-9581 [0,0,1,0,0,0|3,0,0]=4 11 B10R1.17 NCCCC1=CC=CN=C1 BB31-5719 [0,0,1,0,0,0|1,0,0]=2 12 B10R1.17 NCCNC1=NC=CC=C1 BB52-8028 [0,0,1,0,0,0|2,0,0]=3 13 B10R1.17 NCCOC1=CC=NC=C1 BB32-2674 [0,0,1,0,0,0|2,0,0]=3 14 B10R1.17 NCCOC1=NC=CC=C1 BB31-4550 [0,0,1,0,0,0|2,0,0]=3 15 B10R1.17 NCCSC1=NC=CC=C1 BB52-8924 [0,0,1,0,0,0|2,0,0]=3 16 B10R1.17 OCCSC1=NC=CC=C1 BB52-9072 [0,0,1,0,0,0|3,0,0]=4 17 B10R1.18 CC(=O)CC1=CN=CC=C1 BB32-2986 [0,0,1,0,0,0|2,0,1]=4 18 B10R1.18 CC(C)CC1=NC=CC=C1 BB31-5691 [0,0,1,0,0,0|2,0,0]=3 19 B10R1.18 N=C(N)CC1=CC=CN=C1 BB52-5807 [0,0,1,0,0,0|2,0,1]=4 20 B10R1.18 N=C(N)CC1=NC=CC=C1 BB52-5801 [0,0,1,0,0,0|2,0,1]=4 21 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 BB31-3001 [0,0,0,0,0,1|0,0,0]=1 22 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 BB32-3180 [0,0,0,0,0,1|1,0,1]=3 23 B12R2.23 O=C1CCN1C2=CC=CC=C2 BB32-2781 [0,0,0,0,0,1|2,0,1]=4 24 B9R1.6 CC(N)C1=NC=CC=N1 BB31-3285 [1,0,1,0,0,0|2,0,0]=4 25 B9R1.6 C[C@@H](N)C1=CC=NC=C1 BB31-0181 [1,0,1,0,0,0|1,0,0]=3 26 B9R1.6 C[C@@H](N)C1=NC=CC=C1 BB31-9751 [1,0,1,0,0,0|1,0,0]=3 27 B9R1.8 CCNC1=NC=CC=C1 BB31-5587 [1,0,1,0,0,0|2,0,0]=4 28 B9R1.8 CNCC1=CC=NC=C1 BB52-3970 [1,0,1,0,0,0|2,0,0]=4 29 B9R1.8 NNCC1=NC=CC=C1 BB32-1215 [1,0,1,0,0,0|2,0,0]=4 30 B9R1.8 N\N=C\C1=CC=CC=C1 BB32-2520 [1,0,1,0,0,0|1,0,1]=4 31 B11R1.7 NCC(F)(F)C1=NC=CC=C1 BB32-1469 [0,1,1,0,0,0|2,0,0]=4 32 B11R1.12 CCC(C=O)C1=CC=CC=C1 BB31-7584 [0,1,1,0,0,0|1,0,1]=4 33 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 BB31-7522 [0,1,1,0,0,0|2,0,0]=4 34 B11R1.16 COC[C@H](N)C1=CC=CC=C1 BB32-3222 [0,1,1,0,0,0|2,0,0]=4 35 B11R1.16 N#CCC(O)C1=CC=CC=C1 BB31-7914 [0,1,1,0,0,0|1,0,1]=4 36 B11R1.16 OCCC(O)C1=CC=CC=C1 BB32-2523 [0,1,1,0,0,0|2,0,0]=4 37 B11R1.22 CCN(C)C1=CC=C(N)C=C1 BB12-5200 [0,1,1,0,0,0|2,0,0]=4 38 B11R1.22 CC[C@@H](N)C1=CC=C(F)C=C1 BB31-0492 [0,1,1,0,0,0|2,0,0]=4 39 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 BB31-0570 [0,1,1,0,0,0|2,0,0]=4 40 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 BB31-4005 [0,1,1,0,0,0|2,0,0]=4 41 B11R1.22 OC(CCl)C1=CC=C(Cl)C=C1 BB32-3014 [0,1,1,0,0,0|2,0,0]=4 42 B11R1.23 NC(CO)C1=CC=CC(Cl)=C1 BB31-3734 [0,1,1,0,0,0|2,0,0]=4 43 B11R1.23 NCC(=O)C1=CC=CC(Br)=C1 BB31-5650 [0,1,1,0,0,0|1,0,1]=4 44 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 BB31-9590 [0,1,1,0,0,0|2,0,0]=4 45 B11R1.23 N[C@H](CO)C1=CC=CC(Br)=C1 BB31-4154 [0,1,1,0,0,0|2,0,0]=4 46 B11R1.23 N[C@H](CO)C1=CC=CC(F)=C1 BB32-0148 [0,1,1,0,0,0|2,0,0]=4 47 B11R1.23 N[C@H](CO)C1=CC=CC(F)=C1 BB32-1793 [0,1,1,0,0,0|2,0,0]=4 48 B11R1.36 CC(C)C(C)C1=CC=CC=C1 BB31-5345 [0,1,1,0,0,0|1,0,0]=3 49 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 BB31-5054 [0,1,1,0,0,0|2,0,0]=4 50 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 BB31-7042 [0,1,1,0,0,0|2,0,0]=4 51 B11R1.222 N[C@H](CO)C1=C(F)C=CC=C1 BB31-1755 [0,1,1,0,0,0|2,0,0]=4 52 B11R1.1 CC1=CC=C(OCCBr)C=C1 BB31-4045 [0,1,1,0,0,0|2,0,0]=4 53 B11R1.1 CCNCC1=CC=C(O)C=C1 BB31-5883 [0,1,1,0,0,0|2,0,0]=4 54 B11R1.1 ClCCCC1=CC=C(Br)C=C1 BB31-4830 [0,1,1,0,0,0|1,0,0]=3 55 B11R1.1 O=CCCC1=CC=C(Br)C=C1 BB31-6794 [0,1,1,0,0,0|1,0,1]=4 56 B11R1.1 OCCCC1=CC=C(F)C=C1 BB31-7183 [0,1,1,0,0,0|1,0,0]=3 57 B11R1.17 CC1=C(CCCO)C=CC=C1 BB32-0475 [0,1,1,0,0,0|1,0,0]=3 58 B11R1.17 CCCOC1=C(N)C=CC=C1 BB31-5710 [0,1,1,0,0,0|2,0,0]=4 59 B11R1.17 CCNCC1=C(O)C=CC=C1 BB31-9257 [0,1,1,0,0,0|2,0,0]=4 60 B11R1.17 COCCC1=C(O)C=CC=C1 BB32-1663 [0,1,1,0,0,0|2,0,0]=4 61 B11R1.17 NCCCC1=C(Br)C=CC=C1 BB31-5716 [0,1,1,0,0,0|0,0,0]=2 62 B11R1.17 OCCCC1=C(Cl)C=CC=C1 BB32-3226 [0,1,1,0,0,0|1,0,0]=3 63 B11R1.17 OCCCC1=C(F)C=CC=C1 BB31-8703 [0,1,1,0,0,0|1,0,0]=3 64 B11R1.24 CC1=CC=CC(NCCO)=C1 BB17-0632 [0,1,1,0,0,0|2,0,0]=4 65 B11R1.24 COCCC1=CC(O)=CC=C1 BB32-1678 [0,1,1,0,0,0|2,0,0]=4 66 B11R1.24 N#CCCC1=CC=CC(F)=C1 BB32-0937 [0,1,1,0,0,0|0,0,2]=4 67 B11R1.24 NCCCC1=CC=CC(Br)=C1 BB31-3431 [0,1,1,0,0,0|0,0,0]=2 68 B11R1.24 O=CCCC1=CC=CC(Br)=C1 BB31-4155 [0,1,1,0,0,0|1,0,1]=4 69 B11R1.24 OCCCC1=CC=CC(Br)=C1 BB32-3048 [0,1,1,0,0,0|1,0,0]=3 70 B11R1.24 OCCCC1=CC=CC(Cl)=C1 BB31-4195 [0,1,1,0,0,0|1,0,0]=3 71 B11R1.24 OCCCC1=CC=CC(F)=C1 BB31-2996 [0,1,1,0,0,0|1,0,0]=3 72 B11R1.28 C#CCNCC1=CC=CC=C1 BB31-1370 [0,1,1,0,0,0|1,0,1]=4 73 B11R1.28 CCCC#CC1=CC=CC=C1 BB31-3592 [0,1,1,0,0,0|1,0,1]=4 74 B11R1.28 CCCCCC1=CC=NC=C1 BB31-4566 [0,1,1,0,0,0|2,0,0]=4 75 B11R1.28 CNCCSC1=NC=CC=C1 BB52-9534 [0,1,1,0,0,0|2,0,0]=4 76 B11R1.28 ClCCCSC1=NC=CC=C1 BB53-0616 [0,1,1,0,0,0|2,0,0]=4 77 B11R1.28 ClCCNCC1=CC=CN=C1 BB52-9884 [0,1,1,0,0,0|2,0,0]=4 78 B11R1.28 ClCCNCC1=CC=NC=C1 BB52-9449 [0,1,1,0,0,0|2,0,0]=4 79 B11R1.28 ClCCNCC1=NC=CC=C1 BB53-0573 [0,1,1,0,0,0|2,0,0]=4 80 B11R1.28 NCCCOC1=CC=CC=C1 BB31-8683 [0,1,1,0,0,0|0,0,0]=2 81 B11R1.28 NCCNCC1=CC=CN=C1 BB53-0712 [0,1,1,0,0,0|1,0,0]=3 82 B11R1.28 NCCNCC1=CC=NC=C1 BB52-9903 [0,1,1,0,0,0|1,0,0]=3 83 B11R1.28 NCCNCC1=NC=CC=C1 BB53-0185 [0,1,1,0,0,0|1,0,0]=3 84 B11R1.28 OCCC#CC1=CC=CC=C1 BB31-0301 [0,1,1,0,0,0|1,0,1]=4 85 B11R1.28 OCCCCC1=CN=CC=C1 BB31-5838 [0,1,1,0,0,0|2,0,0]=4 86 B11R1.28 OCCCCC1=NC=CC=C1 BB31-3724 [0,1,1,0,0,0|2,0,0]=4 87 B11R1.28 OCCCSC1=NC=CC=C1 BB52-9523 [0,1,1,0,0,0|2,0,0]=4 88 B11R1.28 OCCNCC1=CC=CN=C1 BB52-9596 [0,1,1,0,0,0|2,0,0]=4 89 B11R1.28 OCCNCC1=CC=NC=C1 BB53-0514 [0,1,1,0,0,0|2,0,0]=4 90 B11R1.28 OCCNCC1=NC=CC=C1 BB52-9143 [0,1,1,0,0,0|2,0,0]=4 91 B11R1.40 NCC(=O)CC1=CC=CC=C1 BB31-4674 [0,1,1,0,0,0|0,0,1]=3 92 B11R1.40 NCC(O)CC1=CC=CC=C1 BB32-2349 [0,1,1,0,0,0|0,0,0]=2 93 B11R1.91 NC(=O)CCC1=CN=CC=C1 BB31-6760 [0,1,1,0,0,0|1,0,1]=4 94 B11R1.91 NC(=O)CNC1=CC=CC=C1 BB32-1447 [0,1,1,0,0,0|1,0,1]=4 95 B11R1.20 CC(C)CC1=CC=C(N)C=C1 BB32-1078 [0,1,1,0,0,0|1,0,0]=3 96 B11R1.20 CC(C)SC1=CC=C(Cl)C=C1 BB31-6923 [0,1,1,0,0,0|2,0,0]=4 97 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 BB32-3859 [0,1,1,0,0,0|1,0,1]=4 98 B11R1.86 CC(C)CC1=C(N)C=CC=C1 BB31-7006 [0,1,1,0,0,0|1,0,0]=3 99 B11R1.157 CC(C)NC1=CC=CC(Cl)=C1 BB32-1278 [0,1,1,0,0,0|2,0,0]=4 100 B11R1.157 CC(C)NC1=CC=CC(F)=C1 BB31-8175 [0,1,1,0,0,0|2,0,0]=4 101 B11R1.157 CC1=CC=CC(NC(C)C)=C1 BB31-0290 [0,1,1,0,0,0|2,0,0]=4 102 B11R1.509 CS(=N)(=O)CC1=CC=CC=C1 BB31-7855 [0,1,1,0,0,0|1,0,1]=4 103 B11R2.34 ClC1=NC=C(C2CC2)C=N1 BB31-5083 [1,1,0,0,0,0|2,0,0]=4 104 B11R2.34 ClC1=NN=C(C2CC2)C=C1 BB31-9464 [1,1,0,0,0,0|2,0,0]=4 105 B11R2.34 NC1=CN=C(C2CC2)C=C1 BB31-0704 [1,1,0,0,0,0|1,0,0]=3 106 B11R2.34 O=C1C=CC(C2CC2)=CN1 BB31-0705 [1,1,0,0,0,0|1,0,0]=3 107 B11R2.35 BrC1=CN=CC(C2CC2)=C1 BB31-5006 [1,1,0,0,0,0|1,0,0]=3 108 B11R2.35 ClC1=CC([C@@H]2CO2)=CC=C1 BB31-5402 [1,1,0,0,0,0|1,0,0]=3 109 B11R2.35 ClC1=NC(C2CC2)=NC=C1 BB31-9066 [1,1,0,0,0,0|2,0,0]=4 110 B11R2.35 NC1=CC(C2CC2)=NC=C1 BB32-2145 [1,1,0,0,0,0|1,0,0]=3 111 B11R2.35 OC1=CC(C2CC2)=CC=C1 BB31-4514 [1,1,0,0,0,0|0,0,0]=2 112 B11R2.55 FC1=NC=CC=C1C2CC2 BB31-0827 [1,1,0,0,0,0|1,0,0]=3 113 B13R2.147 O=C1CC(C2=CC=C(Br)C=C2)C1 BB31-4694 [0,1,0,0,0,1|1,0,1]=4 114 B13R2.151 O=C1CC(C2=CC=CC(Br)=C2)C1 BB31-8516 [0,1,0,0,0,1|1,0,1]=4 115 B13R2.522 N[C@H]1C[C@@H]1C2=CC(F)=C(Cl)C=C2 BB31-3522 [0,2,0,0,0,0|0,0,0]=2 116 B11R2.1 O[C@@H]1CCC2=C1C=CC=C2 BB31-5413 [0,0,1,1,0,0|2,0,0]=4 117 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 BB31-4659 [0,0,1,1,0,0|2,0,0]=4 118 B11R2.239 C1=CC(C2CNC2)=CC=N1 BB31-0986 [0,0,1,1,0,0|1,0,0]=3 119 B11R2.239 C1=CC=C(C2CCN2)C=C1 BB31-8120 [0,0,1,1,0,0|2,0,0]=4 120 B11R2.239 C1=CN=CC(C2CNC2)=C1 BB31-0985 [0,0,1,1,0,0|1,0,0]=3 121 B11R2.988 OCC1CC2=C1C=CC=C2 BB31-2934 [0,0,1,1,0,0|1,0,0]=3 122 B11R2.20 C1=CC=C2OCCNC2=C1 BB51-1682 [0,0,1,1,0,0|1,0,0]=3 123 B11R2.20 C1=CN=C2NCCCC2=C1 BB31-5477 [0,0,1,1,0,0|1,0,0]=3 124 B11R2.20 C1=CN=C2NCCNC2=C1 BB31-7946 [0,0,1,1,0,0|2,0,0]=4 125 B11R2.20 C1=CN=C2OCCCC2=C1 BB31-4408 [0,0,1,1,0,0|2,0,0]=4 126 B11R2.20 C1=CN=C2OCCNC2=C1 BB31-8971 [0,0,1,1,0,0|2,0,0]=4 127 B11R2.20 C1=CN=C2SCCNC2=C1 BB51-2312 [0,0,1,1,0,0|2,0,0]=4 128 B11R2.10 BrC1CC2=C(C=CC=C2)C1 BB31-3617 [0,0,1,1,0,0|1,0,0]=3 129 B11R2.10 CC1CC2=C(C=CC=C2)C1 BB31-4827 [0,0,1,1,0,0|1,0,0]=3 130 B11R2.10 S=C1CC2=C(C=CC=C2)N1 BB32-2281 [0,0,1,1,0,0|1,0,1]=4 131 B9R1.12 OCCCC1=CSC=C1 BB31-5720 [0,0,1,0,1,0|2,0,0]=4 132 B9R1.12 OCCCN1C=CC=C1 BB31-5461 [0,0,1,0,1,0|2,0,0]=4 133 B9R1.13 CC(N)CC1=NC=CS1 BB57-1486 [0,0,1,0,1,0|2,0,0]=4 134 B13R2.31 NC1CN(CC2=CC=CC=C2)C1 BB31-8132 [0,0,0,0,0,2|1,0,0]=3