0 B12R1.252 FC(F)CNCC1=CC=CC=C1 BB05-4643 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.252 O=C(O)CCSC1=NC=CC=C1 BB53-1033 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.252 O=C(O)CNCC1=CC=NC=C1 BB52-9214 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.252 O=C(O)CNCC1=CN=CC=C1 BB52-9756 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.252 O=C(O)CNCC1=NC=CC=C1 BB52-9714 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.252 OB(O)\C=C\CC1=CC=CC=C1 BB31-8109 [0,0,0,0,0,0|1,0,3]=4 6 B11R1.28 C#CCNCC1=CC=CC=C1 BB31-1370 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.28 CCCCCC1=CC=NC=C1 BB31-4566 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.28 NCCCOC1=CC=CC=C1 BB31-8683 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.28 OCCC#CC1=CC=CC=C1 BB31-0301 [1,0,0,0,0,0|0,0,3]=4 10 B11R1.28 OCCCCC1=CN=CC=C1 BB31-5838 [1,0,0,0,0,0|1,0,1]=3 11 B11R1.28 OCCCCC1=NC=CC=C1 BB31-3724 [1,0,0,0,0,0|1,0,1]=3 12 B11R1.28 OCCCSC1=NC=CC=C1 BB52-9523 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.28 OCCNCC1=CC=CN=C1 BB52-9596 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.28 OCCNCC1=CC=NC=C1 BB53-0514 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.28 OCCNCC1=NC=CC=C1 BB52-9143 [1,0,0,0,0,0|2,0,1]=4 16 B13R1.45 NC(=O)OCC(O)C1=CC=CC=C1 BB31-5091 [0,1,0,0,0,0|2,0,0]=3 17 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 BB32-3372 [0,1,0,0,0,0|0,0,0]=1 18 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 BB31-0164 [0,1,0,0,0,0|0,0,0]=1 19 B13R1.45 O=C(O)CNC(=O)C1=CC=CN=C1 BB52-0617 [0,1,0,0,0,0|2,0,1]=4 20 B13R1.45 O=C(O)CNC(=O)C1=CC=NC=C1 BB53-0208 [0,1,0,0,0,0|2,0,1]=4 21 B13R1.45 O=C(O)CNC(=O)C1=NC=CC=C1 BB53-0717 [0,1,0,0,0,0|2,0,1]=4 22 B13R1.149 O=C(O)CCOC1=CC=CC(Cl)=C1 BB31-6956 [0,1,0,0,0,0|1,0,0]=2 23 B13R1.158 O=C(O)CCCC1=C(F)C=CC=C1 BB32-0723 [0,1,0,0,0,0|0,0,0]=1 24 B13R1.158 O=C(O)CCCC1=C(O)C=CC=C1 BB32-1832 [0,1,0,0,0,0|0,0,0]=1 25 B13R1.158 O=C(O)CCOC1=C(Br)C=CC=C1 BB31-3294 [0,1,0,0,0,0|1,0,0]=2 26 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 BB32-1690 [0,1,0,0,0,0|1,0,1]=3 27 B13R1.348 CC(CC(=O)O)SC1=NC=CC=C1 BB53-0715 [0,1,0,0,0,0|2,0,0]=3 28 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 BB31-4405 [0,1,0,0,0,0|0,0,0]=1 29 B13R1.351 CC(CCC1=CC=CC=C1)C(=O)O BB32-0518 [0,1,0,0,0,0|0,0,0]=1 30 B13R1.351 CC(CSC1=NC=CC=C1)C(=O)O BB53-0290 [0,1,0,0,0,0|2,0,0]=3 31 B13R1.351 O=C(O)C(=O)NCC1=CC=CN=C1 BB52-9157 [0,1,0,0,0,0|2,0,1]=4 32 B13R1.351 O=C(O)C(=O)NCC1=CC=NC=C1 BB52-9602 [0,1,0,0,0,0|2,0,1]=4 33 B13R1.351 O=C(O)C(=O)NCC1=NC=CC=C1 BB53-0207 [0,1,0,0,0,0|2,0,1]=4 34 B13R1.351 O=C(O)C(Br)CCC1=CC=CC=C1 BB31-3255 [0,1,0,0,0,0|0,0,0]=1 35 B13R1.718 COC(=O)CCNC1=NC=CC=C1 BB32-2272 [0,1,0,0,0,0|2,0,0]=3 36 B13R1.3523 CS(=O)(=O)OCCC1=CC=CC=C1 BB31-3921 [0,1,0,0,0,0|2,0,1]=4 37 B13R2.72 O=C(O)C1=C2C=CC=CC2=NO1 BB31-5182 [0,0,0,1,0,0|2,0,1]=4 38 B13R2.72 O=C(O)C1=COC2=C1C=CC=C2 BB31-4435 [0,0,0,1,0,0|1,0,2]=4 39 B13R2.72 O=C(O)C1NCC2=C1C=CC=C2 BB31-7561 [0,0,0,1,0,0|1,0,0]=2 40 B13R2.163 O=C1CCCC2=C(C=CC=C2)O1 BB31-4594 [0,0,0,1,0,0|0,0,0]=1 41 B13R2.163 O=C1CCCC2=CC=CN=C2N1 BB31-7293 [0,0,0,1,0,0|2,0,0]=3 42 B11R1.91 NC(=O)CCC1=CN=CC=C1 BB31-6760 [0,0,0,0,1,0|2,0,0]=3 43 B11R1.91 NC(=O)CNC1=CC=CC=C1 BB32-1447 [0,0,0,0,1,0|2,0,0]=3 44 B11R1.91 O=C(O)C#CC1=CC=NC=C1 BB31-5726 [0,0,0,0,1,0|1,0,2]=4 45 B11R1.91 O=C(O)C#CC1=CN=CC=C1 BB32-3318 [0,0,0,0,1,0|1,0,2]=4 46 B11R1.91 O=C(O)CCC1=CC=NC=C1 BB52-8563 [0,0,0,0,1,0|1,0,0]=2 47 B11R1.91 O=C(O)CCC1=NC=CC=C1 BB52-8590 [0,0,0,0,1,0|1,0,0]=2 48 B11R1.91 O=C(O)COC1=CN=CC=C1 BB31-6546 [0,0,0,0,1,0|2,0,0]=3 49 B11R1.91 O=C(O)CSC1=NC=CC=C1 BB52-3334 [0,0,0,0,1,0|2,0,0]=3 50 B11R1.91 O=C(O)CSC1=NC=CC=N1 BB52-1566 [0,0,0,0,1,0|3,0,0]=4 51 B11R1.172 O=C(O)CNCC1=CC=CO1 BB52-9976 [0,0,0,0,1,0|2,0,0]=3 52 B13R1.337 CC(=O)CCCCC1=CC=CC=C1 BB31-2717 [0,0,0,0,0,1|1,0,0]=2 53 B13R1.337 FC(F)CNCCC1=CC=CC=C1 BB05-4640 [0,0,0,0,0,1|2,0,1]=4 54 B13R1.337 O=C(O)CCCSC1=CC=CC=C1 BB31-3639 [0,0,0,0,0,1|0,0,0]=1 55 B13R1.337 O=C(O)CCNCC1=CC=CN=C1 BB52-9061 [0,0,0,0,0,1|1,0,0]=2 56 B13R1.337 O=C(O)CCNCC1=CC=NC=C1 BB52-9205 [0,0,0,0,0,1|1,0,0]=2 57 B13R1.337 O=C(O)CCNCC1=NC=CC=C1 BB52-8938 [0,0,0,0,0,1|1,0,0]=2 58 B13R1.337 O=C(O)\C=C\CCC1=CC=CC=C1 BB32-2862 [0,0,0,0,0,1|0,0,1]=2 59 B13R1.337 O=C(O)\C=N\OCC1=CC=CC=C1 BB31-8681 [0,0,0,0,0,1|1,0,1]=3 60 B10R1.17 CCCCC1=CC=CN=C1 BB31-4701 [2,0,0,0,0,0|1,0,1]=4 61 B10R1.17 NCCCC1=CC=CN=C1 BB31-5719 [2,0,0,0,0,0|2,0,0]=4 62 B10R1.17 OCCSC1=NC=CC=C1 BB52-9072 [2,0,0,0,0,0|2,0,0]=4 63 B12R1.1 NCCCCC1=CC=C(Cl)C=C1 BB32-3534 [1,1,0,0,0,0|1,0,1]=4 64 B12R1.8 NCCCCCC1=CC=CC=C1 BB31-3637 [1,1,0,0,0,0|1,0,1]=4 65 B12R1.8 OCCCC#CC1=CC=CC=C1 BB31-4278 [1,1,0,0,0,0|0,0,2]=4 66 B12R1.8 OCCCNCC1=CC=CN=C1 BB52-8972 [1,1,0,0,0,0|1,0,1]=4 67 B12R1.8 OCCCNCC1=CC=NC=C1 BB52-9759 [1,1,0,0,0,0|1,0,1]=4 68 B12R1.8 OCCCNCC1=NC=CC=C1 BB53-1152 [1,1,0,0,0,0|1,0,1]=4 69 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 BB32-1672 [1,1,0,0,0,0|1,0,1]=4 70 B12R1.30 NC(CCCO)C1=CC=CC=C1 BB32-2038 [1,1,0,0,0,0|0,0,1]=3 71 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 BB32-3592 [1,1,0,0,0,0|2,0,0]=4 72 B12R1.21 CC1=CC=C(C#CC(=O)O)C=C1 BB31-7651 [0,1,0,0,1,0|0,0,2]=4 73 B12R1.21 NC(=O)CCC1=CC=C(N)C=C1 BB12-5413 [0,1,0,0,1,0|1,0,0]=3 74 B12R1.21 NC(=O)CCC1=CC=C(O)C=C1 BB31-8097 [0,1,0,0,1,0|1,0,0]=3 75 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 BB12-5412 [0,1,0,0,1,0|0,0,0]=2 76 B12R1.43 C[C@H](NC1=CC=CC=C1)C(=O)O BB31-3006 [0,1,0,0,1,0|1,0,0]=3 77 B12R1.43 O=C(O)[C@H](Br)CC1=CC=CC=C1 BB31-7674 [0,1,0,0,1,0|0,0,0]=2 78 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 BB31-5440 [0,1,0,0,1,0|0,0,0]=2 79 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 BB31-5414 [0,1,0,0,1,0|0,0,0]=2 80 B12R1.125 CC(=O)NCC1=C(Br)C=CC=C1 BB31-8714 [0,1,0,0,1,0|2,0,0]=4 81 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 BB31-8656 [0,1,0,0,1,0|2,0,0]=4 82 B12R1.125 O=C(O)C#CC1=C(F)C=CC=C1 BB32-3709 [0,1,0,0,1,0|0,0,2]=4 83 B12R1.226 O=C(O)C#CC1=CC=CC(Cl)=C1 BB31-6988 [0,1,0,0,1,0|0,0,2]=4 84 B12R1.260 O=C(O)CS(=O)CC1=CC=CO1 BB31-7906 [0,1,0,0,1,0|2,0,0]=4 85 B14R1.420 O=C(O)CCNC(=O)C1=CC=NC=C1 BB53-0917 [0,1,0,0,0,1|1,0,1]=4 86 B14R1.420 O=C(O)CCNC(=O)C1=CN=CC=C1 BB53-1088 [0,1,0,0,0,1|1,0,1]=4 87 B14R1.420 O=C(O)CCNC(=O)C1=NC=CC=C1 BB53-1066 [0,1,0,0,0,1|1,0,1]=4 88 B14R1.677 CC(=O)NCCSC1=CC=C(O)C=C1 BB31-5094 [0,1,0,0,0,1|2,0,0]=4 89 B14R1.677 O=C(O)CCCCC1=CC=C(Br)C=C1 BB32-1099 [0,1,0,0,0,1|0,0,0]=2 90 B14R1.677 O=C(O)CCCCC1=CC=C(Cl)C=C1 BB32-0724 [0,1,0,0,0,1|0,0,0]=2 91 B14R1.677 O=C(O)CCCCC1=CC=C(F)C=C1 BB31-4263 [0,1,0,0,0,1|0,0,0]=2 92 B14R1.716 COC(=O)CCCCC1=CC=CC=C1 BB31-3851 [0,1,0,0,0,1|0,0,0]=2 93 B14R1.716 OC[C@@H](O)CCOCC1=CC=CC=C1 BB31-5441 [0,1,0,0,0,1|0,0,2]=4 94 B14R1.818 CC(CC(=O)O)NCC1=CC=CN=C1 BB52-9510 [0,1,0,0,0,1|1,0,0]=3 95 B14R1.818 CC(CC(=O)O)NCC1=CC=NC=C1 BB52-9220 [0,1,0,0,0,1|1,0,0]=3 96 B14R1.818 CC(CC(=O)O)NCC1=NC=CC=C1 BB52-9809 [0,1,0,0,0,1|1,0,0]=3 97 B14R1.6449 CC(CNCC1=CC=CN=C1)C(=O)O BB52-9188 [0,1,0,0,0,1|1,0,0]=3 98 B14R1.6449 CC(CNCC1=CC=NC=C1)C(=O)O BB52-9687 [0,1,0,0,0,1|1,0,0]=3 99 B14R1.6449 CC(CNCC1=NC=CC=C1)C(=O)O BB53-1023 [0,1,0,0,0,1|1,0,0]=3 100 B14R1.6449 N[C@@H](C\C=C\C1=CC=CC=C1)C(=O)O BB32-0889 [0,1,0,0,0,1|0,0,1]=3 101 B14R1.678 O=C(O)CCC(=O)C1=CC=C(O)C=C1 BB32-3517 [0,2,0,0,0,0|0,0,1]=3 102 B14R1.678 O=C(O)CNC(=O)C1=CC=C(O)C=C1 BB31-4304 [0,2,0,0,0,0|1,0,1]=4 103 B14R1.687 O=C(O)CCCC1=CC(Cl)=C(Cl)C=C1 BB31-4338 [0,2,0,0,0,0|0,0,0]=2 104 B14R1.687 O=C(O)CNCC1=CC(Cl)=C(Cl)C=C1 BB32-1769 [0,2,0,0,0,0|1,0,0]=3 105 B14R1.5978 N[C@H](CC(=O)O)CC1=CC=CC(Cl)=C1 BB32-1950 [0,2,0,0,0,0|0,0,0]=2 106 B14R1.96 COC1=C(OCCC(=O)O)C=CC=C1 BB32-1054 [0,2,0,0,0,0|1,0,0]=3 107 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(Cl)C=C1 BB32-0893 [0,2,0,0,0,0|0,0,0]=2 108 B14R1.520 CCOC(=O)C\N=C\C1=CC=CC=C1 BB32-1957 [0,2,0,0,0,0|1,0,1]=4 109 B14R1.520 CCOC(=O)NOCC1=CC=CC=C1 BB32-2867 [0,2,0,0,0,0|2,0,0]=4 110 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 BB32-3315 [1,0,0,1,0,0|1,0,1]=4 111 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 BB32-3398 [1,0,0,1,0,0|1,0,1]=4 112 B12R2.23 O=C1CCN1C2=CC=CC=C2 BB32-2781 [1,0,0,1,0,0|1,0,0]=3 113 B12R2.41 C1=CC2=C(C=C1)OCCNC2 BB51-1528 [1,0,0,1,0,0|1,0,1]=4 114 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 BB32-1584 [1,0,0,1,0,0|1,0,1]=4 115 B12R2.1081 O=C1CCCC2=C1C=CN=C2 BB31-7974 [1,0,0,1,0,0|1,0,0]=3 116 B12R2.1081 O=C1CCOC2=C1C=NC=C2 BB31-7283 [1,0,0,1,0,0|2,0,0]=4 117 B12R2.1081 O=C1CCOC2=CC=CN=C12 BB31-7810 [1,0,0,1,0,0|2,0,0]=4 118 B12R2.1081 O=C1COCC2=C1C=CC=C2 BB31-4135 [1,0,0,1,0,0|1,0,0]=3 119 B12R2.1081 OB1OCCC2=C1C=CC=C2 BB31-4013 [1,0,0,1,0,0|2,0,0]=4 120 B12R2.1081 OC1COCC2=C1C=CC=C2 BB31-4134 [1,0,0,1,0,0|1,0,1]=4 121 B12R2.1081 O[C@@H]1CCCC2=C1C=CC=C2 BB31-4223 [1,0,0,1,0,0|0,0,1]=3 122 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 BB32-3180 [0,0,0,1,1,0|1,0,0]=3 123 B12R2.3190 O=C(O)C1CC2=C1C=CC=C2 BB31-2766 [0,0,0,1,1,0|0,0,0]=2 124 B14R2.2 O=C(O)CC1=CSC2=C1C=CC=C2 BB31-5396 [0,0,0,1,0,1|0,0,2]=4 125 B14R2.2 O=C(O)CN1C=CC2=CC=CC=C21 BB52-0789 [0,0,0,1,0,1|0,0,2]=4 126 B14R2.2 O=C(O)CN1C=NC2=CC=CC=C21 BB52-0153 [0,0,0,1,0,1|1,0,1]=4 127 B14R2.2 O=C(O)CN1CCC2=CC=CC=C21 BB52-9272 [0,0,0,1,0,1|0,0,0]=2 128 B14R2.21 O=C1CCCC(C2=CC=CC=C2)N1 BB32-1877 [0,0,0,1,0,1|1,0,0]=3 129 B14R2.21 O=C1CCOC(C2=CC=CC=C2)C1 BB31-2627 [0,0,0,1,0,1|1,0,0]=3 130 B14R2.21 O=C1COC[C@H](C2=CC=CC=C2)N1 BB31-8770 [0,0,0,1,0,1|1,0,0]=3 131 B14R2.436 O[C@H]1C[C@@H](OCC2=CC=CC=C2)C1 BB31-4221 [0,0,0,1,0,1|1,0,1]=4 132 B14R2.436 O[C@H]1C[C@H](OCC2=CC=CC=C2)C1 BB31-2392 [0,0,0,1,0,1|1,0,1]=4 133 B14R2.31359 O=C(O)C1CCOC2=C1C=CC=C2 BB31-3799 [0,0,0,1,0,1|0,0,0]=2 134 B14R2.31359 O=C(O)C1CNCC2=C1C=CC=C2 BB31-0438 [0,0,0,1,0,1|0,0,0]=2 135 B14R2.31359 O=C(O)C1OCCC2=C1C=CC=C2 BB31-2126 [0,0,0,1,0,1|0,0,0]=2 136 B14R2.68 O=C1COC(C2=CC=CC=C2)CN1 BB32-2900 [0,1,0,1,0,0|1,0,0]=3 137 B14R2.68 O[C@H]1CC[C@H](C2=CC=CC=C2)CC1 BB32-3266 [0,1,0,1,0,0|1,0,1]=4 138 B14R2.779 O=C(O)C1CC(C2=CC=CC=C2)C1 BB32-3835 [0,1,0,1,0,0|0,0,0]=2 139 B14R2.300 CC(=O)N1CCC2=C1C=CC(O)=C2 BB32-2883 [0,1,0,1,0,0|2,0,0]=4 140 B14R2.7974 O=C1CCCC2=C(C=CC(Br)=C2)N1 BB32-2505 [0,1,0,1,0,0|1,0,0]=3 141 B14R2.7974 O=C1CCNC2=C(C=CC(Br)=C2)N1 BB32-1248 [0,1,0,1,0,0|2,0,0]=4 142 B14R2.768 O=C(O)CC1=NC2=CC=CC=C2N1 BB52-0905 [0,1,0,1,0,0|1,0,1]=4 143 B14R2.781 O=C(O)C1=CC2=CC=CC=C2OC1 BB51-1488 [0,1,0,1,0,0|1,0,1]=4 144 B14R2.781 O=C(O)C1CCC2=C(C=CC=N2)C1 BB31-1265 [0,1,0,1,0,0|1,0,0]=3 145 B14R2.781 O=C(O)C1CNC2=C(C=CC=C2)C1 BB31-0567 [0,1,0,1,0,0|1,0,0]=3 146 B14R2.28454 O=C1CCCC2=C(F)C=CC=C2N1 BB31-2549 [0,1,0,1,0,0|1,0,0]=3 147 B14R2.738 CC1CC(=O)NC2=CC=CC=C2N1 BB52-0226 [0,1,0,1,0,0|2,0,0]=4 148 B14R2.741 CC1CNC2=CC=CC=C2NC1=O BB52-0222 [0,1,0,1,0,0|2,0,0]=4 149 B14R2.380 NC1=CC2=C(C=C1)CCCC(=O)N2 BB31-7652 [0,1,0,1,0,0|1,0,0]=3 150 B14R2.95 O=C(CBr)N1CCC2=CC=CC=C21 BB53-1072 [0,1,0,1,0,0|2,0,0]=4 151 B14R2.95 O=C(CS)N1CCC2=CC=CC=C21 BB52-7352 [0,1,0,1,0,0|1,1,0]=4 152 B10R1.18 CC(=O)CC1=CN=CC=C1 BB32-2986 [0,0,0,0,2,0|2,0,0]=4 153 B10R1.18 O=C(O)CC1=NC=CN=C1 BB31-2541 [0,0,0,0,2,0|2,0,0]=4 154 B10R1.66 O=C(O)CCC1=CC=CN1 BB32-1801 [0,0,0,0,2,0|1,0,0]=3 155 B10R1.66 O=C(O)CCC1=CNC=N1 BB31-7932 [0,0,0,0,2,0|2,0,0]=4 156 B10R1.66 O=C(O)CCC1=NC=CN1 BB31-3671 [0,0,0,0,2,0|2,0,0]=4 157 B10R1.66 O=C(O)CCC1=NC=CS1 BB31-2782 [0,0,0,0,2,0|2,0,0]=4 158 B14R1.422 O=C(O)CCCCOC1=CC=CC=C1 BB31-6026 [0,0,0,0,0,2|0,0,0]=2