0 B10R1.16 CC1=CC=C(CCC=O)O1 4225AB [0,0,0,0,0,0|0,0,2]=2 1 B9R1.7 CNCC1=CC=C(C)O1 7273AA [1,0,0,0,0,0|1,0,2]=4 2 B11R1.75 CN1C=C(\C=C\C(=O)O)C=N1 8169AE [0,1,0,0,0,0|3,0,0]=4 3 B11R2.1 CC1=CCC2=C1C=CC=C2 1962AC [0,0,0,1,0,0|2,0,1]=4 4 B11R2.1 CC1=COC2=CC=CC=C12 W4465 [0,0,0,1,0,0|3,0,0]=4 5 B11R2.1 CC1=CSC2=CC=CC=C12 I293 [0,0,0,1,0,0|3,0,0]=4 6 B11R2.1 CN1C=CC2=C1N=CC=C2 W5034 [0,0,0,1,0,0|3,0,0]=4 7 B11R2.10 BrC1=CC2=CC=CC=C2S1 Y9390 [0,0,0,1,0,0|2,1,0]=4 8 B11R2.10 CC1=CC2=C(C=CC=C2)C1 1054AB [0,0,0,1,0,0|2,0,0]=3 9 B11R2.10 CC1=CC2=C(C=CC=C2)S1 3343AA [0,0,0,1,0,0|1,1,0]=3 10 B11R2.10 CC1=CN2C=CC=CC2=N1 Y6540 [0,0,0,1,0,0|3,0,0]=4 11 B11R2.10 CC1=NC2=CC=CN=C2N1 V7266 [0,0,0,1,0,0|3,0,0]=4 12 B11R2.10 CC1=NC2=NC=CC=C2O1 W8875 [0,0,0,1,0,0|2,0,0]=3 13 B11R2.10 CC1CC2=C(C=CC=C2)O1 5226AL [0,0,0,1,0,0|1,0,2]=4 14 B11R2.10 CN1C=C2C=CC=CC2=N1 V6146 [0,0,0,1,0,0|3,0,0]=4 15 B11R2.10 NC1=CC2=CC=CC=C2S1 W6356 [0,0,0,1,0,0|2,1,0]=4 16 B11R2.10 SC1=NC2=NC=CC=C2O1 Z4832 [0,0,0,1,0,0|3,0,0]=4 17 B11R1.1 O=C\C=C\C1=CC=C(Br)C=C1 Z3580 [0,0,0,0,0,1|2,0,0]=3 18 B11R1.1 O=C\C=C\C1=CC=C(Cl)C=C1 Z3582 [0,0,0,0,0,1|2,0,0]=3 19 B11R1.24 CC1=CC(\C=C\C=O)=CC=C1 Z3567 [0,0,0,0,0,1|1,0,0]=2 20 B11R1.24 O=C\C=C\C1=CC=CC(Cl)=C1 Z3562 [0,0,0,0,0,1|2,0,0]=3 21 B11R1.24 O=C\C=C\C1=CC=CC(F)=C1 Z3565 [0,0,0,0,0,1|2,0,0]=3 22 B8R0.1 CCOC(=O)\C=C\C=O Z4570 [1,0,1,0,0,0|1,0,1]=4 23 B8R1.1 CC1=CC=C(CO)O1 Y8951 [2,0,0,0,0,0|0,0,2]=4 24 B8R1.1 CC1=CN=C(C=O)N1 9102AC [2,0,0,0,0,0|2,0,0]=4 25 B8R1.1 CC1=CSC(C=O)=C1 Y9589 [2,0,0,0,0,0|2,0,0]=4 26 B8R1.1 CC1=CSC(C=O)=N1 Y7472 [2,0,0,0,0,0|2,0,0]=4 27 B8R1.1 CC1=NC(C=O)=CO1 Y5199 [2,0,0,0,0,0|2,0,0]=4 28 B8R1.1 CC1=NC(C=O)=CS1 W4388 [2,0,0,0,0,0|2,0,0]=4 29 B8R1.1 CC1=NC=C(C=O)S1 X8494 [2,0,0,0,0,0|1,1,0]=4 30 B8R1.1 O=CC1=CC=C(Br)N1 5759AC [2,0,0,0,0,0|2,0,0]=4 31 B8R1.1 O=CC1=CC=C(Cl)O1 9756AL [2,0,0,0,0,0|1,0,0]=3 32 B8R1.1 O=CC1=CC=C(I)O1 F087 [2,0,0,0,0,0|1,0,0]=3 33 B10R1.14 CCC(=O)C1=CC=C(C)O1 Z5437 [1,1,0,0,0,0|0,0,2]=4 34 B10R1.14 O=CC(=O)C1=CC=C(Br)S1 W8803 [1,1,0,0,0,0|1,1,0]=4 35 B10R1.66 CC(=O)SCC1=CC=CO1 M900 [1,1,0,0,0,0|1,0,1]=4 36 B10R1.66 CC(=O)\C=C\C1=CC=CS1 Z2375 [1,1,0,0,0,0|0,1,0]=3 37 B10R1.66 O=C(O)\C=C\C1=CN=CN1 1164AA [1,1,0,0,0,0|2,0,0]=4 38 B10R1.66 O=C(O)\C=C\C1=COC=C1 5128AB [1,1,0,0,0,0|2,0,0]=4 39 B10R1.66 O=[N+]([O-])\C=C\C1=CC=CS1 Z2091 [1,1,0,0,0,0|1,1,0]=4 40 B10R1.66 O=[N+]([O-])\C=C\C1=CC=CS1 Z2203 [1,1,0,0,0,0|1,1,0]=4 41 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 2061AE [0,1,0,0,0,1|2,0,0]=4 42 B12R1.21 CC(=O)\C=C\C1=CC=C(Cl)C=C1 5603AH [0,1,0,0,0,1|2,0,0]=4 43 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 X5220 [0,1,0,0,0,1|2,0,0]=4 44 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=N1 W3656 [0,1,0,0,0,1|2,0,0]=4 45 B12R1.21 O=C(O)\C=C\C1=CN=C(Br)C=C1 0838AA [0,1,0,0,0,1|2,0,0]=4 46 B12R1.226 CC(=O)\C=C\C1=CC=CC(Cl)=C1 7058AD [0,1,0,0,0,1|2,0,0]=4 47 B12R1.226 CC1=CC(\C=C\C(=O)O)=CC=C1 Z3568 [0,1,0,0,0,1|1,0,0]=3 48 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=C1 7137AA [0,1,0,0,0,1|1,0,0]=3 49 B12R1.226 NC1=CC=CC(\C=C\C(=O)O)=C1 3449AD [0,1,0,0,0,1|2,0,0]=4 50 B10R1.61 CC(O)C1=C(Br)C=CC=C1 4894AJ [0,0,1,1,0,0|1,0,1]=4 51 B10R1.61 CC(O)C1=CC=CC=C1F X8296 [0,0,1,1,0,0|1,0,1]=4 52 B10R1.61 CC(O)C1=CC=CC=C1N Z6783 [0,0,1,1,0,0|1,0,1]=4 53 B10R1.61 C[C@@H](O)C1=C(F)C=CC=C1 8241AA [0,0,1,1,0,0|1,0,1]=4 54 B10R1.61 O=C(O)C1=C(O)C=CC=C1 7849AF [0,0,1,1,0,0|1,0,1]=4 55 B10R1.8 CC1=CC(F)=CC(C=O)=C1 Z4341 [0,0,1,1,0,0|2,0,0]=4 56 B10R1.8 CC1=CC(O)=CC(C=O)=C1 9038AB [0,0,1,1,0,0|2,0,0]=4 57 B10R1.30 CC1=CC=C(Br)C(C=O)=C1 W9291 [0,0,1,1,0,0|2,0,0]=4 58 B10R1.30 COC1=C(N)C=CC(O)=C1 6080AJ [0,0,1,1,0,0|2,0,0]=4 59 B10R1.30 COC1=CC(O)=CC=C1Cl X4399 [0,0,1,1,0,0|2,0,0]=4 60 B10R1.30 COC1=CC(O)=CC=C1N 9246AB [0,0,1,1,0,0|2,0,0]=4 61 B10R1.30 NC1=C(C=O)C=C(F)C=C1 7284AA [0,0,1,1,0,0|2,0,0]=4 62 B10R1.30 O=CC1=CC(Br)=CC=C1I W7887 [0,0,1,1,0,0|2,0,0]=4 63 B10R1.30 O=CC1=CC(I)=CC=C1Br X8649 [0,0,1,1,0,0|2,0,0]=4 64 B10R1.30 O=CC1=CC(I)=CC=C1F X5897 [0,0,1,1,0,0|2,0,0]=4 65 B10R1.30 O=CC1=CC(I)=CC=C1O Y8008 [0,0,1,1,0,0|2,0,0]=4 66 B10R1.30 O=CC1=CC(O)=CC=C1Cl X2716 [0,0,1,1,0,0|1,0,0]=3 67 B10R1.35 C=CN1C=C(C=O)C(C)=N1 1004AD [0,0,1,1,0,0|2,0,0]=4 68 B10R1.2 CC1=C(Br)C(C=O)=CC=C1 8577AC [0,0,1,1,0,0|2,0,0]=4 69 B10R1.2 CC1=C(Cl)C(C=O)=CC=C1 X2718 [0,0,1,1,0,0|2,0,0]=4 70 B10R1.2 CC1=C(F)C(C=O)=CC=C1 W9160 [0,0,1,1,0,0|2,0,0]=4 71 B10R2.7 C1=CN=C2C=COC2=C1 Y8522 [1,0,0,1,0,0|1,0,0]=3 72 B10R2.7 C1=CN=C2C=CSC2=C1 Z4533 [1,0,0,1,0,0|1,1,0]=4 73 B10R2.7 C1=CN=C2N=COC2=C1 V4849 [1,0,0,1,0,0|2,0,0]=4 74 B12R2.24 CC1=CC2=CC=CC=C2C=N1 X9017 [0,0,0,1,0,1|2,0,0]=4 75 B12R2.24 CC1=CC=C2C=CC=NC2=N1 X3127 [0,0,0,1,0,1|2,0,0]=4 76 B12R2.202 CC1=CC2=C(C=CN=C2Cl)S1 W7210 [0,1,0,1,0,0|1,1,0]=4 77 B12R2.202 CC1=CC2=C(Cl)C=CN=C2N1 3266AB [0,1,0,1,0,0|2,0,0]=4 78 B12R2.202 CC1=CC2=C(N=CNC2=O)S1 Z3054 [0,1,0,1,0,0|1,1,0]=4 79 B12R2.202 CC1=CC2=CC=CC(Br)=C2C1 4035AC [0,1,0,1,0,0|2,0,0]=4 80 B12R2.202 CC1=NC2=C(C)C=CC=C2O1 5342AJ [0,1,0,1,0,0|2,0,0]=4 81 B12R2.606 CC1=CC2=C(C=C(Br)C=C2)N1 Z4943 [0,1,0,1,0,0|2,0,0]=4 82 B12R2.606 CC1=CC2=C(C=C(Cl)C=C2)N1 Y9616 [0,1,0,1,0,0|2,0,0]=4 83 B12R2.606 CC1=CC2=C(C=C(O)C=C2)N1 7904AB [0,1,0,1,0,0|2,0,0]=4 84 B12R2.606 CC1=CC2=C(C=CC(O)=C2)N1 Z4093 [0,1,0,1,0,0|1,0,1]=4 85 B12R2.606 CC1=NC2=C(C=C(Cl)C=C2)O1 9767AB [0,1,0,1,0,0|2,0,0]=4 86 B12R2.606 CC1=NC2=C(C=CC(F)=C2)O1 6772AL [0,1,0,1,0,0|2,0,0]=4 87 B12R2.606 CC1=NC2=CC(O)=CC=C2O1 X5142 [0,1,0,1,0,0|1,0,1]=4 88 B12R2.606 CC1=NC2=CC=C(Br)C=C2O1 Z4197 [0,1,0,1,0,0|2,0,0]=4 89 B12R2.606 CC1=NC2=CC=C(N)C=C2O1 Y9498 [0,1,0,1,0,0|2,0,0]=4 90 B12R2.606 CC1=NC2=NC=C(Br)C=C2O1 W6504 [0,1,0,1,0,0|2,0,0]=4 91 B12R2.18 CC1=C(Br)C2=CC=CC=C2S1 Z3813 [0,1,0,1,0,0|1,1,0]=4 92 B12R2.32 BrCC1=NC2=CC=CC=C2O1 Z5077 [0,1,0,1,0,0|2,0,0]=4 93 B12R2.32 CCC1=NC2=C(C=CC=N2)O1 4893AE [0,1,0,1,0,0|2,0,0]=4 94 B12R2.32 CC[N+]1=CC2=C(C=CC=C2)O1 7553AH [0,1,0,1,0,0|2,0,0]=4 95 B12R2.32 CSC1=NC2=CC=CC=C2O1 Z4123 [0,1,0,1,0,0|2,0,0]=4 96 B12R2.32 ClCC1=CC2=C(C=CC=C2)S1 7059AD [0,1,0,1,0,0|1,1,0]=4 97 B12R2.32 ClCC1=NC2=CC=CC=C2O1 V5833 [0,1,0,1,0,0|2,0,0]=4 98 B12R2.32 N#CC1=CC2=CC=CC=C2O1 W6191 [0,1,0,1,0,0|1,0,1]=4 99 B12R2.32 NCC1=CC2=C(C=CC=C2)N1 6502AH [0,1,0,1,0,0|2,0,0]=4 100 B12R2.32 NCC1=CC2=C(C=CC=C2)N1 W4407 [0,1,0,1,0,0|2,0,0]=4 101 B12R2.32 NCC1=CC2=CC=CC=C2O1 Y8923 [0,1,0,1,0,0|1,0,0]=3 102 B12R2.32 NCC1=CC2=CC=CC=C2S1 W7515 [0,1,0,1,0,0|1,1,0]=4 103 B12R2.32 OCC1=CC2=C(C=CC=C2)N1 W4805 [0,1,0,1,0,0|2,0,0]=4 104 B12R2.32 OCC1=NC2=CC=CC=C2O1 W8382 [0,1,0,1,0,0|2,0,0]=4