0 B12R2.612 CC1=NC2=C(C=C1)C(N)=NN2 BBL012397 [0,0,0,0,0,0|3,0,0]=3 1 B12R2.612 NC1=NNC2=CC(Br)=CC=C21 BBL030369 [0,0,0,0,0,0|1,1,0]=2 2 B12R2.612 O=C1COC2=CC(O)=CC=C12 BBL028131 [0,0,0,0,0,0|3,0,1]=4 3 B11R2.1 ClC1=NSC2=C1C=CC=C2 BBL010761 [1,0,0,0,0,0|2,0,0]=3 4 B11R2.1 NC1=NNC2=NC=CC=C12 BBL012473 [1,0,0,0,0,0|2,0,0]=3 5 B11R2.1 SC1=NN=C2C=CC=CN12 BBL010253 [1,0,0,0,0,0|1,1,1]=4 6 B11R2.36 BrC1=CC=C2C=CNC2=C1 BBL011018 [1,0,0,0,0,0|1,1,0]=3 7 B11R2.36 ClC1=CC2=C(C=C1)NC=C2 BBL037749 [1,0,0,0,0,0|3,0,0]=4 8 B11R2.36 FC1=CC=C2C=CNC2=C1 BBL011020 [1,0,0,0,0,0|1,1,0]=3 9 B13R2.662 O=CC1=CNC2=C1C=CC(Cl)=C2 BBL011076 [0,1,0,0,0,0|1,0,1]=3 10 B13R2.662 O=CC1=CNC2=CC(Br)=CC=C12 BBL029018 [0,1,0,0,0,0|1,1,1]=4 11 B13R2.662 O=CC1=CNC2=CC(F)=CC=C12 BBL028137 [0,1,0,0,0,0|1,1,1]=4 12 B13R2.5187 O=C1OC(=O)C2=C1C=CC(Cl)=C2 BBL028284 [0,1,0,0,0,0|2,0,1]=4 13 B13R2.11634 CC1=C(Br)C=C2C(N)=NNC2=N1 BBL035096 [0,1,0,0,0,0|3,0,0]=4 14 B13R2.11642 CC1=CC(C)=C2C(N)=NNC2=N1 BBL008472 [0,1,0,0,0,0|3,0,0]=4 15 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 BBL028371 [0,0,1,0,0,0|1,0,1]=3 16 B11R1.22 NCC(O)C1=CC=C(O)C=C1 BBL009983 [0,0,1,0,0,0|2,0,1]=4 17 B11R1.22 NNC(=O)C1=CC=C(Br)C=C1 BBL023523 [0,0,1,0,0,0|0,1,2]=4 18 B11R1.22 NNC(=O)C1=CC=C(Cl)C=C1 BBL003589 [0,0,1,0,0,0|0,0,2]=3 19 B11R1.22 NNC(=O)C1=CC=C(N)C=C1 BBL003523 [0,0,1,0,0,0|1,0,2]=4 20 B11R1.22 NNC(=O)C1=CC=C(O)C=C1 BBL008415 [0,0,1,0,0,0|1,0,2]=4 21 B11R1.22 N\C(=N/O)C1=CC=C(Cl)C=C1 BBL005467 [0,0,1,0,0,0|2,0,0]=3 22 B11R1.24 CC1=CC=CC(NCCO)=C1 BBL022936 [0,0,1,0,0,0|2,0,1]=4 23 B11R1.37 COC1=CC=C(Cl)C=C1NN BBL022206 [0,0,1,0,0,0|2,0,1]=4 24 B11R1.166 CC(=O)C1=CC=C(Cl)C=C1Cl BBL027300 [0,0,1,0,0,0|2,0,1]=4 25 B11R1.166 CN(C)C1=C(N)C=C(Cl)C=C1 BBL012002 [0,0,1,0,0,0|3,0,0]=4 26 B11R1.166 NC(=O)C1=CC=C(Cl)C=C1N BBL022498 [0,0,1,0,0,0|0,0,2]=3 27 B11R1.166 O=C(O)C1=C(O)C=C(O)C=C1 BBL011673 [0,0,1,0,0,0|3,0,0]=4 28 B11R1.166 O=C(O)C1=CC=C(Cl)N=C1Cl BBL010102 [0,0,1,0,0,0|3,0,0]=4 29 B13R2.3683 OC1=CC=C2C=C(O)C=CC2=C1 BBL025841 [0,0,0,0,0,1|3,0,0]=4 30 B13R2.5179 NC1=CC=NC2=CC(Cl)=CC=C12 BBL029042 [0,0,0,0,0,1|2,0,1]=4 31 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 BBL013140 [1,0,1,0,0,0|1,0,1]=4 32 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 BBL017845 [1,0,1,0,0,0|1,0,1]=4 33 B10R1.13 N=C(N)C1=CC=C(F)C=C1 BBL013947 [1,0,1,0,0,0|1,1,0]=4 34 B10R1.13 N=C(N)C1=CC=C(N)C=C1 BBL007616 [1,0,1,0,0,0|2,0,0]=4 35 B10R1.13 NC(=O)C1=CC=C(N)C=C1 BBL011581 [1,0,1,0,0,0|1,0,1]=4 36 B10R1.13 NC(=S)C1=CC=C(O)C=C1 BBL010014 [1,0,1,0,0,0|1,1,0]=4 37 B10R1.13 O=C(Cl)C1=CC=C(Cl)C=C1 BBL011385 [1,0,1,0,0,0|1,0,1]=4 38 B10R1.13 O=C(O)C1=CC=C(O)C=C1 BBL011981 [1,0,1,0,0,0|2,0,0]=4 39 B10R1.15 NCC(=O)C1=CC=CC=C1 BBL028098 [1,0,1,0,0,0|1,0,1]=4 40 B10R1.15 NNC(=O)C1=CC=CC=C1 BBL019079 [1,0,1,0,0,0|0,0,2]=4 41 B10R1.15 N\C(=N/O)C1=CC=CC=C1 BBL005528 [1,0,1,0,0,0|2,0,0]=4 42 B10R1.10 O=C=NC1=CC=CC(Cl)=C1 BBL013128 [1,0,1,0,0,0|0,0,2]=4 43 B10R1.10 O\N=C\C1=CC(O)=CC=C1 BBL023045 [1,0,1,0,0,0|2,0,0]=4 44 B10R1.17 OCCNC1=CC=CC=C1 BBL011612 [1,0,1,0,0,0|1,0,1]=4 45 B10R1.25 O=CC1=C(F)C=C(Cl)C=C1 BBL028278 [1,0,1,0,0,0|1,0,1]=4 46 B10R1.30 CC1=CC=C(Cl)C=C1NN BBL022189 [1,0,1,0,0,0|0,0,2]=4 47 B10R1.61 NC(=O)C1=CC=CC=C1N BBL012278 [1,0,1,0,0,0|0,0,2]=4 48 B10R1.61 NC(=S)C1=CC=CC=C1N BBL018382 [1,0,1,0,0,0|0,1,1]=4 49 B10R1.61 NC1=CC=CC=C1C(=O)O BBL025605 [1,0,1,0,0,0|1,0,0]=3 50 B10R1.61 NC1=NC=CC=C1C(=O)O BBL001472 [1,0,1,0,0,0|2,0,0]=4 51 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 BBL025932 [1,0,1,0,0,0|2,0,0]=4 52 B10R2.7 C1=CC2=C(C=C1)NC=C2 BBL011739 [2,0,0,0,0,0|1,0,0]=3 53 B12R1.367 NNC(=O)C1=CC=C(Cl)C(Cl)=C1 BBL025691 [0,1,1,0,0,0|0,0,2]=4 54 B12R1.1703 NNC(=O)C1=C(Cl)C=C(Cl)C=C1 BBL022915 [0,1,1,0,0,0|0,0,2]=4 55 B12R1.1703 NNC(=O)C1=CC=C(Cl)C=C1O BBL017863 [0,1,1,0,0,0|0,0,2]=4 56 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 BBL034639 [0,1,1,0,0,0|2,0,0]=4 57 B12R1.232 NC1=C(Cl)C=C(Cl)C(C(=O)O)=C1 BBL008105 [0,1,1,0,0,0|2,0,0]=4 58 B12R2.203 CC1=CNC2=C1C(O)=CC=C2 BBL030378 [1,1,0,0,0,0|2,0,0]=4 59 B12R2.203 NC1=NNC2=C1C(F)=CC=C2 BBL028223 [1,1,0,0,0,0|1,0,0]=3 60 B12R2.44 OCC1=CC2=C(C=CN2)C=C1 BBL029609 [1,1,0,0,0,0|2,0,0]=4 61 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)N1 BBL009871 [1,1,0,0,0,0|1,0,1]=4 62 B14R2.27750 O=C1NC2=C(C1=O)C(Cl)=CC(Cl)=C2 BBL029536 [0,2,0,0,0,0|1,0,1]=4 63 B12R1.49 NNC(=O)CC1=CC=C(Cl)C=C1 BBL008411 [0,0,1,0,0,1|0,0,2]=4 64 B12R1.49 NNC(=S)NC1=CC=C(Cl)C=C1 BBL013592 [0,0,1,0,0,1|0,1,1]=4 65 B12R1.49 N\C(CC1=CC=C(Cl)C=C1)=N/O BBL005823 [0,0,1,0,0,1|2,0,0]=4