0 B13R2.162 NC1=CC=CC2=CC=C(O)C=C12 22270 [1,0,0,0,0,0|2,0,0]=3 1 B13R2.162 OC1=CC=C2C=CN=C(Cl)C2=C1 34766 [1,0,0,0,0,0|2,1,0]=4 2 B13R2.162 OC1=CC=C2N=CC=C(Br)C2=C1 8309 [1,0,0,0,0,0|2,1,0]=4 3 B13R2.162 OC1=NC2=C(O)C=CC=C2C=C1 7554 [1,0,0,0,0,0|3,0,0]=4 4 B13R2.369 CC1=C(O)C=C2C=CC=NC2=C1 34451 [1,0,0,0,0,0|3,0,0]=4 5 B13R2.369 CC1=CC2=CC=CC=C2N=C1Cl 12431 [1,0,0,0,0,0|2,0,1]=4 6 B13R2.369 CC1=NC2=CC=CC=C2N=C1O 15424 [1,0,0,0,0,0|2,0,1]=4 7 B13R2.369 ClC1=NC2=CC=CC=C2C=C1Br 35526 [1,0,0,0,0,0|2,0,1]=4 8 B13R2.369 NC1=CC2=CC=CC=C2C=C1N 15532 [1,0,0,0,0,0|3,0,0]=4 9 B13R2.369 NC1CC2=CC=CC=C2NC1=O 17875 [1,0,0,0,0,0|1,0,2]=4 10 B13R2.369 OC1=NC2=CC=CC=C2N=C1O 25656 [1,0,0,0,0,0|1,0,2]=4 11 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=C1 34782 [1,0,0,0,0,0|3,0,0]=4 12 B13R2.5179 ClC1=NC2=CC=CC(Cl)=C2C=C1 24683 [1,0,0,0,0,0|1,1,1]=4 13 B13R2.5179 FC1=C2N=CC(I)=CC2=CC=C1 35230 [1,0,0,0,0,0|3,0,0]=4 14 B13R2.5179 NC1=CC=C2C(O)=CC=CC2=C1 12474 [1,0,0,0,0,0|3,0,0]=4 15 B13R2.5179 NC1=CC=CC2=CC(F)=CC=C12 34829 [1,0,0,0,0,0|3,0,0]=4 16 B13R2.5179 NC1=NC2=CC=CC(Br)=C2C=C1 27897 [1,0,0,0,0,0|1,1,1]=4 17 B13R2.5179 O=C1CCC2=C(F)C=CC=C2C1 17935 [1,0,0,0,0,0|1,0,2]=4 18 B13R2.5179 O=C1CCC2=C(O)C=CC=C2N1 24134 [1,0,0,0,0,0|1,0,2]=4 19 B13R2.5179 O=C1COC2=C(C=CC=C2O)N1 27895 [1,0,0,0,0,0|2,0,1]=4 20 B15R2.63633 CC1=CC2=C(F)C=CC(C)=C2N=C1Cl 5943 [0,1,0,0,0,0|2,0,1]=4 21 B13R2.4825 O=C1NC2=C(Br)C=CC=C2C1=O 16675 [0,0,0,0,1,0|1,1,1]=4 22 B13R2.4825 O=C1NC2=C(Cl)C=CC=C2C1=O 15537 [0,0,0,0,1,0|1,1,1]=4 23 B13R2.4825 O=C1NC2=C(F)C=CC=C2C1=O 1955 [0,0,0,0,1,0|1,0,1]=3 24 B13R2.4825 O=C1NC2=C(I)C=CC=C2C1=O 20658 [0,0,0,0,1,0|1,1,1]=4 25 B13R2.4856 O=C1NC2=CC=CC(Br)=C2C1=O 3903 [0,0,0,0,1,0|0,1,1]=3 26 B13R2.4856 O=C1NC2=CC=CC(Cl)=C2C1=O 13911 [0,0,0,0,1,0|0,1,1]=3 27 B12R1.50 C=CC(=O)NC1=CC(N)=CC=C1 25681 [1,0,1,0,0,0|1,0,0]=3 28 B12R1.50 O=C(CCl)NC1=CC(F)=CC=C1 8398 [1,0,1,0,0,0|1,0,1]=4 29 B12R1.224 CC1=C(CC(=O)O)C=CC=C1F 24112 [1,0,1,0,0,0|1,0,1]=4 30 B12R1.224 O=C(O)CC1=C(Cl)C(F)=CC=C1 31456 [1,0,1,0,0,0|2,0,0]=4 31 B12R1.224 O=C(O)CC1=C(F)C(F)=CC=C1 1916 [1,0,1,0,0,0|2,0,0]=4 32 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O 8190 [1,0,1,0,0,0|2,0,0]=4 33 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 3489 [1,0,1,0,0,0|2,0,0]=4 34 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 4346 [1,0,1,0,0,0|2,0,0]=4 35 B12R1.125 CC1=C(\C=C\C(=O)O)C=CC=C1 8211 [1,0,1,0,0,0|2,0,0]=4 36 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 3756 [1,0,1,0,0,0|1,1,0]=4 37 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 3628 [1,0,1,0,0,0|1,1,0]=4 38 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 3488 [1,0,1,0,0,0|1,0,0]=3 39 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 8214 [1,0,1,0,0,0|2,0,0]=4 40 B12R1.1009 O=C(O)CC1=C(Cl)C=CC=C1F 4254 [1,0,1,0,0,0|1,0,1]=4 41 B12R1.1009 O=C(O)CC1=C(F)C=CC=C1F 8397 [1,0,1,0,0,0|1,0,1]=4 42 B12R1.1631 O=C\C=C\C1=C(F)C=CC=C1F 18776 [1,0,1,0,0,0|1,0,0]=3 43 B12R2.24 BrC1=CC2=CC=CC=C2C=C1 9426 [2,0,0,0,0,0|2,0,0]=4 44 B12R2.24 BrC1=CC2=CC=CC=C2N=C1 5814 [2,0,0,0,0,0|1,0,1]=4 45 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 21827 [2,0,0,0,0,0|1,0,1]=4 46 B12R2.24 CC1=CC2=CC=CC=C2N=C1 2344 [2,0,0,0,0,0|1,0,1]=4 47 B12R2.24 CC1=NC2=CC=CC=C2C=C1 5809 [2,0,0,0,0,0|1,0,1]=4 48 B12R2.24 ClC1=CC2=CC=CC=C2C=C1 9464 [2,0,0,0,0,0|2,0,0]=4 49 B12R2.24 ClC1=CC2=CC=CC=C2N=C1 14555 [2,0,0,0,0,0|1,0,1]=4 50 B12R2.24 ClC1=NC2=CC=CC=C2C=C1 7580 [2,0,0,0,0,0|1,0,1]=4 51 B12R2.24 FC1=CC2=CC=CC=C2C=C1 19886 [2,0,0,0,0,0|2,0,0]=4 52 B12R2.24 IC1=NC2=CC=CC=C2C=C1 24681 [2,0,0,0,0,0|1,0,1]=4 53 B12R2.24 NC1=CC2=CC=CC=C2C=C1 23236 [2,0,0,0,0,0|2,0,0]=4 54 B12R2.24 NC1=CC2=CC=CC=C2N=C1 12769 [2,0,0,0,0,0|1,0,1]=4 55 B12R2.24 NC1=NC2=CC=CC=C2C=C1 5818 [2,0,0,0,0,0|1,0,1]=4 56 B12R2.24 O=C1C=CC2=CC=CC=C2O1 21620 [2,0,0,0,0,0|1,0,0]=3 57 B12R2.24 O=C1C=CC2=CC=NC=C2N1 25763 [2,0,0,0,0,0|1,0,0]=3 58 B12R2.24 O=C1C=CC2=CN=CC=C2N1 27583 [2,0,0,0,0,0|1,0,0]=3 59 B12R2.24 O=C1COC2=C(C=CC=C2)N1 18791 [2,0,0,0,0,0|1,0,1]=4 60 B12R2.24 OC1=CC2=CC=CC=C2N=C1 12770 [2,0,0,0,0,0|0,0,1]=3 61 B12R2.24 OC1=CC=C2C=CC=NC2=C1 5841 [2,0,0,0,0,0|2,0,0]=4 62 B12R2.24 OC1=CC=C2C=CN=CC2=C1 6264 [2,0,0,0,0,0|2,0,0]=4 63 B12R2.24 OC1=CC=C2C=NC=CC2=C1 6260 [2,0,0,0,0,0|2,0,0]=4 64 B12R2.24 OC1=CC=C2N=CC=CC2=C1 5840 [2,0,0,0,0,0|2,0,0]=4 65 B12R2.24 OC1=NC2=CC=CC=C2N=C1 15472 [2,0,0,0,0,0|1,0,1]=4 66 B12R2.24 SC1=CC2=CC=CC=C2C=C1 6833 [2,0,0,0,0,0|1,1,0]=4 67 B12R2.1081 BrC1=C2C=CC=NC2=CC=C1 7116 [2,0,0,0,0,0|0,1,1]=4 68 B12R2.1081 Brc1cccc2ccccc12 36195 [2,0,0,0,0,0|1,1,0]=4 69 B12R2.1081 ClC1=CC=CC2=CC=CC=C12 9388 [2,0,0,0,0,0|1,1,0]=4 70 B12R2.1081 FC1=CC=CC2=CC=CC=C12 10866 [2,0,0,0,0,0|1,0,0]=3 71 B12R2.1081 IC1=CC=CC2=CC=CC=C12 28941 [2,0,0,0,0,0|1,1,0]=4 72 B12R2.1081 NC1=C2C=CC=NC2=CC=C1 7576 [2,0,0,0,0,0|1,0,1]=4 73 B12R2.1081 NC1=CC=CC2=CC=CC=C12 23886 [2,0,0,0,0,0|2,0,0]=4 74 B12R2.1081 OC1=C2C=CC=NC2=CC=C1 12784 [2,0,0,0,0,0|1,0,1]=4 75 B12R2.1081 OC1=CC=CC2=CC=CC=C12 16938 [2,0,0,0,0,0|2,0,0]=4 76 B14R2.1128 N#CC1=CC2=CC=CC=C2OC1=O 8675 [1,1,0,0,0,0|2,0,0]=4 77 B14R2.28480 O=C1NC2=CC=CC(Cl)=C2C(=O)O1 13597 [1,1,0,0,0,0|1,1,0]=4 78 B14R2.28480 O=C1NC2=CC=CC(F)=C2C(=O)O1 13595 [1,1,0,0,0,0|1,0,0]=3 79 B14R2.8620 CC1=C2C(=O)C(=O)NC2=C(F)C=C1 29126 [0,1,0,0,1,0|1,0,1]=4 80 B14R2.8620 O=C1NC2=C(F)C=CC(F)=C2C1=O 15260 [0,1,0,0,1,0|1,0,1]=4 81 B14R2.8737 CC1=CC=C2C(=O)C(=O)NC2=C1F 17138 [0,1,0,0,1,0|1,0,1]=4 82 B14R2.8737 CC1=CC=C2C(=O)C(=O)NC2=C1F 29127 [0,1,0,0,1,0|1,0,1]=4 83 B14R2.9184 CC1=CC(F)=C2NC(=O)C(=O)C2=C1 17970 [0,1,0,0,1,0|1,0,1]=4 84 B14R2.4506 CC1=CC=C2NC(=O)C(=O)C2=C1Br 13604 [0,1,0,0,1,0|0,1,1]=4 85 B14R2.27750 O=C1NC2=CC(F)=CC(Cl)=C2C1=O 31700 [0,1,0,0,1,0|0,1,1]=4 86 B14R2.4529 O=C(O)C1=CC2=CC=C(F)C=C2N1 1684 [0,0,1,1,0,0|2,0,0]=4 87 B14R2.7969 O=C(O)C1=CC2=C(F)C=CC=C2N1 2531 [0,0,1,1,0,0|2,0,0]=4 88 B12R1.24 NC1=C(C(=O)C=O)C=CC=C1F 28931 [0,0,1,0,1,0|1,0,1]=4 89 B12R2.202 CC1=CC2=C(O)C=CC=C2N1 9379 [1,0,0,0,1,0|2,0,0]=4 90 B12R2.203 CC1=NNC2=CC=CC(F)=C21 28053 [1,0,0,0,1,0|2,0,0]=4 91 B12R2.203 FC1=C2C(=CC=C1)NN=C2Br 33038 [1,0,0,0,1,0|2,0,0]=4 92 B12R2.203 FC1=C2C(=CC=C1)NN=C2I 33039 [1,0,0,0,1,0|2,0,0]=4 93 B12R2.203 NC1=NNC2=CC=CC(F)=C21 32559 [1,0,0,0,1,0|2,0,0]=4 94 B12R2.18 CC1=C(C)C2=CC=CC=C2N1 7334 [1,0,0,0,1,0|2,0,0]=4 95 B12R2.18 O=C1NC2=CC=CC=C2C1=O 13609 [1,0,0,0,1,0|0,0,1]=3 96 B12R2.18 O=C1NC2=NC=CC=C2C1=O 26690 [1,0,0,0,1,0|1,0,1]=4 97 B12R2.196 O=C1CCC2=C(F)C=CC=C12 13785 [1,0,0,0,1,0|0,0,2]=4 98 B12R2.196 O=C1NCC2=C(F)C=CC=C12 25128 [1,0,0,0,1,0|1,0,1]=4