0 B11R1.91 CC(=O)CCC1=CC=CC=C1 SPC-k266 [0,1,0,0,0,0|0,0,2]=3 1 B11R1.91 O=C(O)\C=C\C1=NC=CC=N1 SPC-u834 [0,1,0,0,0,0|2,0,0]=3 2 B11R2.1 BrC1=CN=C2C=CC=CN12 SPC-m580 [0,0,0,1,0,0|3,0,0]=4 3 B11R2.1 BrC1=CNC2=C1C=CC=N2 SPC-g361 [0,0,0,1,0,0|3,0,0]=4 4 B11R2.1 BrC1=CSC2=CC=CN=C12 SPC-s295 [0,0,0,1,0,0|3,0,0]=4 5 B11R2.1 BrC1=NNC2=C1C=CC=C2 SPC-g767 [0,0,0,1,0,0|3,0,0]=4 6 B11R2.1 CC1=CNC2=C1C=CC=C2 SPC-g422 [0,0,0,1,0,0|2,0,0]=3 7 B11R2.1 CC1=CNC2=C1C=NC=C2 SPC-q661 [0,0,0,1,0,0|3,0,0]=4 8 B11R2.1 CC1=CNC2=NC=CC=C12 SPC-h202 [0,0,0,1,0,0|3,0,0]=4 9 B11R2.1 CC1=NNC2=C1C=CC=C2 SPC-m579 [0,0,0,1,0,0|3,0,0]=4 10 B11R2.1 CN1C=CC2=C1C=NC=C2 SPC-u713 [0,0,0,1,0,0|3,0,0]=4 11 B11R2.1 ClC1=CNC2=C1C=CC=C2 SPC-n094 [0,0,0,1,0,0|2,0,0]=3 12 B11R2.1 ClC1=CNC2=C1C=CC=N2 SPC-j246 [0,0,0,1,0,0|3,0,0]=4 13 B11R2.1 IC1=CNC2=C1C=CN=C2 SPC-k366 [0,0,0,1,0,0|3,0,0]=4 14 B11R2.1 IC1=CNC2=C1C=NC=C2 SPC-q666 [0,0,0,1,0,0|3,0,0]=4 15 B11R2.1 IC1=NNC2=C1C=CC=C2 SPC-g726 [0,0,0,1,0,0|3,0,0]=4 16 B11R2.1 NC1=CN=C2C=CC=CN12 SPC-m622 [0,0,0,1,0,0|3,0,0]=4 17 B11R2.1 O=C1CCC2=C1C=CC=N2 SPC-n233 [0,0,0,1,0,0|1,0,2]=4 18 B11R2.1 O=C1CCC2=C1C=CN=C2 SPC-q607 [0,0,0,1,0,0|1,0,2]=4 19 B11R2.1 O=C1NCC2=C1C=CC=C2 SPC-m482 [0,0,0,1,0,0|1,0,1]=3 20 B11R2.1 O=C1NCC2=C1C=NC=C2 SPC-h610 [0,0,0,1,0,0|2,0,1]=4 21 B11R2.20 C1=CC=C2N=CN=CC2=C1 SPC-k265 [0,0,0,1,0,0|2,0,0]=3 22 B8R1.2 O=CC1=CN=CC=C1 SPC-g255 [2,0,0,0,0,0|1,0,0]=3 23 B8R1.2 O=CC1=CN=CN=C1 SPC-j129 [2,0,0,0,0,0|2,0,0]=4 24 B8R1.2 O=CC1=CN=NC=C1 SPC-n491 [2,0,0,0,0,0|2,0,0]=4 25 B8R1.2 O=CC1=NC=CC=N1 SPC-j098 [2,0,0,0,0,0|2,0,0]=4 26 B8R1.2 O=CC1=NC=CN=C1 SPC-j095 [2,0,0,0,0,0|2,0,0]=4 27 B10R1.66 O=C(O)\C=C\C1=CC=CS1 SPC-k420 [0,1,0,0,1,0|1,0,0]=3 28 B12R1.50 C=CC(=O)NC1=CC(N)=CC=C1 SPC-u409 [0,2,0,0,0,0|2,0,0]=4 29 B12R1.43 O=[N+]([O-])\C(F)=C\C1=CC=CC=C1 SPC-d107 [0,2,0,0,0,0|1,0,0]=3 30 B10R1.30 NC1=C(C=O)C=C(Br)C=C1 SPC-r401 [0,0,1,1,0,0|2,0,0]=4 31 B10R1.30 O=CC1=C(Br)C=CC(F)=C1 SPC-v716 [0,0,1,1,0,0|2,0,0]=4 32 B10R2.7 C1=CC2=C(C=C1)NN=C2 SPC-m915 [1,0,0,1,0,0|2,0,0]=4 33 B10R2.7 C1=CC2=C(C=CN2)C=N1 SPC-g447 [1,0,0,1,0,0|2,0,0]=4 34 B10R2.7 C1=CC2=C(C=CO2)N=C1 SPC-q050 [1,0,0,1,0,0|1,0,1]=4 35 B10R2.7 C1=CC2=C(C=N1)NC=C2 SPC-g648 [1,0,0,1,0,0|2,0,0]=4 36 B10R2.7 C1=CC2=CC=NN2C=C1 SPC-r143 [1,0,0,1,0,0|2,0,0]=4 37 B10R2.7 C1=CN=C2C=CNC2=C1 SPC-g455 [1,0,0,1,0,0|2,0,0]=4 38 B10R2.7 C1=CN=C2NC=CC2=C1 SPC-g154 [1,0,0,1,0,0|2,0,0]=4 39 B12R2.24 BrC1=CC2=CC=CC=C2C=N1 SPC-j292 [0,1,0,1,0,0|2,0,0]=4 40 B12R2.24 BrC1=CC2=CC=NC=C2C=C1 SPC-k785 [0,1,0,1,0,0|2,0,0]=4 41 B12R2.24 BrC1=CC2=CN=CC=C2C=C1 SPC-t090 [0,1,0,1,0,0|2,0,0]=4 42 B12R2.24 BrC1=CC2=CN=CN=C2C=C1 SPC-j022 [0,1,0,1,0,0|2,0,0]=4 43 B12R2.24 BrC1=CC2=NC=CC=C2C=C1 SPC-t758 [0,1,0,1,0,0|1,0,0]=3 44 B12R2.24 BrC1=CC2=NC=NC=C2C=C1 SPC-j023 [0,1,0,1,0,0|2,0,0]=4 45 B12R2.24 CC1=NC2=CC=CN=C2C=C1 SPC-j552 [0,1,0,1,0,0|2,0,0]=4 46 B12R2.24 ClC1=CC2=CC=CC=C2C=N1 SPC-t885 [0,1,0,1,0,0|2,0,0]=4 47 B12R2.24 ClC1=NC2=CN=CC=C2C=C1 SPC-k698 [0,1,0,1,0,0|2,0,0]=4 48 B12R2.24 NC1=CC=C2C=NC=CC2=C1 SPC-k323 [0,1,0,1,0,0|2,0,0]=4 49 B12R2.24 O=C1C=C2C=CC=CC2=CN1 SPC-m478 [0,1,0,1,0,0|1,0,0]=3 50 B12R2.24 O=C1C=CC2=CC=CN=C2N1 SPC-u549 [0,1,0,1,0,0|1,0,0]=3 51 B12R2.132 CC1=CNC2=C1C=C(Br)C=C2 SPC-h044 [0,1,0,1,0,0|2,0,0]=4 52 B12R2.132 CC1=CNC2=C1C=C(Cl)C=C2 SPC-m711 [0,1,0,1,0,0|2,0,0]=4 53 B12R2.132 NC1=CC2=C(C=C1)CNC2=O SPC-h313 [0,1,0,1,0,0|1,0,1]=4 54 B12R2.132 O=C1CCC2=C1C=C(Br)C=C2 SPC-g292 [0,1,0,1,0,0|0,0,2]=4 55 B12R2.132 O=C1CCC2=C1C=C(Cl)C=C2 SPC-g641 [0,1,0,1,0,0|0,0,2]=4 56 B12R2.132 O=C1NCC2=C1C=C(Br)C=C2 SPC-p765 [0,1,0,1,0,0|1,0,1]=4 57 B12R2.132 O=C1NCC2=C1C=C(F)C=C2 SPC-s397 [0,1,0,1,0,0|1,0,1]=4 58 B12R2.132 O=C1OCC2=C1C=C(I)C=C2 SPC-p810 [0,1,0,1,0,0|1,0,1]=4 59 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 SPC-s949 [0,1,0,1,0,0|0,0,2]=4 60 B12R2.1081 BrC1=CC=CC2=CC=NC=C12 SPC-g341 [0,1,0,1,0,0|2,0,0]=4 61 B12R2.1081 BrC1=CC=CC2=NC=NC=C12 SPC-j429 [0,1,0,1,0,0|2,0,0]=4 62 B12R2.1081 ClC1=CC=NC2=CC=CN=C12 SPC-q939 [0,1,0,1,0,0|2,0,0]=4 63 B12R2.1081 ClC1=CC=NC2=CC=NC=C12 SPC-h390 [0,1,0,1,0,0|2,0,0]=4 64 B12R2.1081 ClC1=CC=NC2=CN=CC=C12 SPC-m568 [0,1,0,1,0,0|2,0,0]=4 65 B12R2.1081 ClC1=CC=NC2=NC=CC=C12 SPC-p524 [0,1,0,1,0,0|2,0,0]=4 66 B12R2.1081 ClC1=NC=CC2=CC=CN=C21 SPC-u791 [0,1,0,1,0,0|2,0,0]=4 67 B12R2.1081 ClC1=NC=CC2=CC=NC=C21 SPC-j326 [0,1,0,1,0,0|2,0,0]=4 68 B12R2.1081 ClC1=NC=CC2=NC=CC=C12 SPC-k765 [0,1,0,1,0,0|2,0,0]=4 69 B12R2.1081 IC1=CC=CC2=CC=CN=C12 SPC-j897 [0,1,0,1,0,0|1,0,0]=3 70 B12R2.1081 NC1=C2N=CC=CC2=CC=C1 SPC-h712 [0,1,0,1,0,0|1,0,0]=3 71 B12R2.1081 O=C1C=CNC2=C1C=CN=C2 SPC-m900 [0,1,0,1,0,0|1,0,0]=3 72 B12R2.1081 O=C1COCC2=C1C=CC=C2 SPC-j356 [0,1,0,1,0,0|0,0,2]=4 73 B12R2.1081 O=C1NC=CC2=C1C=NC=C2 SPC-h539 [0,1,0,1,0,0|1,0,0]=3 74 B12R2.1081 O=C1NC=CC2=CC=CN=C12 SPC-s408 [0,1,0,1,0,0|1,0,0]=3 75 B12R2.1081 O=C1NC=NC2=C1C=CC=N2 SPC-j353 [0,1,0,1,0,0|2,0,0]=4 76 B12R2.1081 O=C1NC=NC2=C1C=NC=C2 SPC-n096 [0,1,0,1,0,0|2,0,0]=4 77 B12R2.1081 O=C1NC=NC2=CC=CN=C12 SPC-h549 [0,1,0,1,0,0|2,0,0]=4 78 B12R2.1081 O=C1NCCC2=C1C=CC=C2 SPC-s102 [0,1,0,1,0,0|0,0,2]=4 79 B12R2.1081 OC1=NC=CC2=CN=CC=C21 SPC-u776 [0,1,0,1,0,0|1,0,1]=4 80 B12R2.32 O=CC1=CC2=C(N=CC=C2)N1 SPC-m926 [0,1,0,1,0,0|1,0,0]=3 81 B12R2.32 O=CC1=NN2C=CC=CC2=N1 SPC-v040 [0,1,0,1,0,0|2,0,0]=4 82 B12R2.196 NC1=CC=CC2=C1CNC2=O SPC-h606 [0,1,0,1,0,0|1,0,1]=4 83 B12R2.196 O=C1CCC2=C(Br)C=CC=C12 SPC-g231 [0,1,0,1,0,0|0,0,2]=4 84 B12R2.196 O=C1CCC2=C(Cl)C=CC=C12 SPC-g553 [0,1,0,1,0,0|0,0,2]=4 85 B12R2.196 O=C1COC2=C(Br)C=CC=C12 SPC-s411 [0,1,0,1,0,0|1,0,1]=4 86 B12R2.203 CC1=CNC2=C1C(N)=CC=C2 SPC-p401 [0,1,0,1,0,0|2,0,0]=4 87 B12R2.203 NC1=C2C(=O)NCC2=CC=C1 SPC-m084 [0,1,0,1,0,0|1,0,1]=4 88 B12R2.612 CC1=CNC2=C1C=CC(Br)=C2 SPC-p772 [0,1,0,1,0,0|2,0,0]=4 89 B12R2.612 CC1=CNC2=C1C=CC(N)=C2 SPC-p402 [0,1,0,1,0,0|2,0,0]=4 90 B12R2.612 CC1=CNC2=C1C=CC(O)=C2 SPC-t978 [0,1,0,1,0,0|2,0,0]=4 91 B12R2.612 NC1=CC2=C(C=C1)C(=O)NC2 SPC-h457 [0,1,0,1,0,0|1,0,1]=4 92 B12R2.612 O=C1COC2=C1C=CC(Br)=C2 SPC-u370 [0,1,0,1,0,0|1,0,1]=4 93 B12R2.612 O=C1NCC2=C1C=CC(Br)=C2 SPC-q927 [0,1,0,1,0,0|1,0,1]=4 94 B12R2.612 O=C1OCC2=C1C=CC(Br)=C2 SPC-q956 [0,1,0,1,0,0|1,0,1]=4 95 B12R2.1 O=CC1=CNC2=C1C=NC=N2 SPC-n292 [0,1,0,1,0,0|2,0,0]=4 96 B12R2.1 O=CC1=CNC2=NC=CN=C12 SPC-p706 [0,1,0,1,0,0|2,0,0]=4 97 B12R2.1 O=CC1=NC=C2C=CC=CN21 SPC-s504 [0,1,0,1,0,0|1,0,0]=3 98 B12R2.1 O=CC1=NNC2=C1C=CC=N2 SPC-r147 [0,1,0,1,0,0|2,0,0]=4 99 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 SPC-i073 [0,1,0,1,0,0|0,0,2]=4 100 B12R2.18 O=C1NC2=C(C=CC=N2)C1=O SPC-s172 [0,1,0,1,0,0|2,0,0]=4