0 B10R1.25 CC1=CC(C)=C(NN)C=C1 BBL020466 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.25 CC1=CC=C(C#N)C(Cl)=N1 BBL028169 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.25 CC1=NC(Cl)=CC=C1C#N BBL035701 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.1 CNC1=CC=C(Br)C=N1 BBL023686 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.15 CC1=C(C#N)N=CC=C1 BBL011525 [1,0,0,0,0,0|2,0,1]=4 5 B9R1.15 CC1=C(CBr)N=CC=C1 BBL038258 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.15 CNC1=C(N)C=CC=N1 BBL031075 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.15 COC1=NC=CC=C1N BBL029047 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.15 NNC1=NC=CN=C1Cl BBL005540 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.69 CC1=CC(C)=C(O)C=C1 BBL011443 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.69 CC1=CN=C(C)C(Cl)=N1 BBL027561 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.69 NC1=NC=C(Br)N=C1Br BBL100345 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.37 COC1=NC(C)=CC=C1C#N BBL032265 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.166 CC1=C(C(C)C)C=CC(N)=C1 BBL030263 [0,1,0,0,0,0|3,0,0]=4 14 B11R1.166 CC1=CC=C(C(C)C)C(O)=C1 BBL011604 [0,1,0,0,0,0|3,0,0]=4 15 B11R1.278 CC1=CNC(CCl)=C(C)C1=O BBL012511 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.464 CC1=CC(C)=C(CN)C(C)=C1 BBL036407 [0,1,0,0,0,0|3,0,0]=4 17 B11R2.36 NC1=NC=C2CCCC2=N1 BBL011884 [0,0,0,1,0,0|3,0,0]=4 18 B9R1.22 CC1=CC(C)=NN1CO BBL012456 [0,0,0,0,1,0|3,0,0]=4 19 B9R1.22 CC1=CC(C=O)=C(C)N1 BBL012646 [0,0,0,0,1,0|1,0,2]=4 20 B9R1.22 CC1=CC(C=O)=C(C)S1 BBL039889 [0,0,0,0,1,0|2,0,1]=4 21 B9R1.22 CC1=NN(C)C(C#N)=C1 BBL039937 [0,0,0,0,1,0|2,0,1]=4 22 B9R1.22 CC1=NN(C)C(C=O)=C1 BBL104313 [0,0,0,0,1,0|2,0,1]=4 23 B9R1.22 CC1=NN(C)C=C1C#N BBL039936 [0,0,0,0,1,0|2,0,1]=4 24 B9R1.22 CCN1N=C(C)C=C1N BBL039304 [0,0,0,0,1,0|3,0,0]=4 25 B9R1.22 CCN1N=C(N)C=C1C BBL030297 [0,0,0,0,1,0|3,0,0]=4 26 B9R1.22 COC1=NC(Br)=NN1C BBL033036 [0,0,0,0,1,0|3,0,0]=4 27 B9R1.132 CCC1=NN=C(S)N1C BBL013695 [0,0,0,0,1,0|3,0,0]=4 28 B9R1.132 CCN1N=CC(N)=C1C BBL039046 [0,0,0,0,1,0|2,0,0]=3 29 B8R1.2 COC1=NC=CC=C1 BBL011495 [2,0,0,0,0,0|2,0,0]=4 30 B8R1.2 ClCC1=CC=CC=N1 BBL009975 [2,0,0,0,0,0|2,0,0]=4 31 B8R1.2 NCC1=CC=CN=C1 BBL036897 [2,0,0,0,0,0|2,0,0]=4 32 B8R1.4 CC1=CC=CC(C)=N1 BBL013176 [2,0,0,0,0,0|1,0,0]=3 33 B8R1.4 NC1=NC(Cl)=CN=C1 BBL028064 [2,0,0,0,0,0|2,0,0]=4 34 B10R1.4 CNCC1=CC=CN=C1Cl BBL036539 [1,1,0,0,0,0|2,0,0]=4 35 B10R1.61 NC(C)C1=C(C)C=CC=C1 BBL036386 [1,1,0,0,0,0|2,0,0]=4 36 B10R1.118 CC1=NC(C)=C(C)N=C1C BBL012277 [1,1,0,0,0,0|0,0,0]=2 37 B10R1.35 CCN1C=C(CO)C(C)=N1 BBL029640 [0,1,0,0,1,0|2,0,0]=4 38 B10R1.59 CC(=O)C1=CC(C)=NN1C BBL038942 [0,1,0,0,1,0|1,0,1]=4 39 B10R1.59 CC(=O)C1=CN(C)N=C1C BBL039652 [0,1,0,0,1,0|1,0,1]=4 40 B10R1.59 CC(C)C1=NC(Br)=NN1C BBL036812 [0,1,0,0,1,0|2,0,0]=4 41 B10R1.59 CC(C)C1=NC(Cl)=NN1C BBL035155 [0,1,0,0,1,0|2,0,0]=4 42 B10R1.130 CC1=CC(C)=NN1CCCl BBL028397 [0,1,0,0,1,0|2,0,0]=4 43 B10R1.130 CC1=CC(C)=NN1CCN BBL030285 [0,1,0,0,1,0|2,0,0]=4 44 B10R1.130 CCCN1N=C(C)C=C1C BBL040882 [0,1,0,0,1,0|2,0,0]=4 45 B10R1.130 COCN1N=C(C)N=C1Br BBL036484 [0,1,0,0,1,0|2,0,0]=4 46 B10R1.130 COCN1N=C(C)N=C1Cl BBL035192 [0,1,0,0,1,0|2,0,0]=4 47 B10R1.130 COCN1N=C(Cl)N=C1C BBL035217 [0,1,0,0,1,0|2,0,0]=4 48 B10R1.256 CC1=NN(C)C(C)=C1CO BBL029032 [0,1,0,0,1,0|2,0,0]=4 49 B10R1.94 CCCN1N=CC(N)=C1C BBL030299 [0,1,0,0,1,0|2,0,0]=4 50 B10R1.257 CCN1N=CC(Br)=C1CN BBL038865 [0,1,0,0,1,0|2,0,0]=4 51 B10R1.258 CCN1N=CC(C#N)=C1C BBL038398 [0,1,0,0,1,0|1,0,1]=4 52 B10R1.258 CCN1N=CC(CN)=C1C BBL037326 [0,1,0,0,1,0|1,0,0]=3 53 B10R1.258 CCN1N=CC(CO)=C1C BBL015818 [0,1,0,0,1,0|1,0,0]=3 54 B12R1.69 CC1=CC(C)=C(OCCN)C=C1 BBL007654 [0,2,0,0,0,0|2,0,0]=4 55 B10R2.32 OC1=C2CCCC2=NN1 BBL028645 [0,0,0,1,1,0|2,0,0]=4 56 B8R1.1 CC1=CN(CCl)N=C1 BBL040914 [1,0,0,0,1,0|2,0,0]=4 57 B8R1.1 CC1=CN(CO)N=C1 BBL040434 [1,0,0,0,1,0|2,0,0]=4 58 B8R1.1 CC1=NC(CN)=CS1 BBL030475 [1,0,0,0,1,0|2,0,0]=4 59 B8R1.1 CC1=NOC(CCl)=N1 BBL031009 [1,0,0,0,1,0|2,0,0]=4 60 B8R1.1 CC1=NOC(CN)=N1 BBL013313 [1,0,0,0,1,0|2,0,0]=4 61 B8R1.1 CCC1=NC(Br)=NN1 BBL032262 [1,0,0,0,1,0|2,0,0]=4 62 B8R1.1 CCC1=NC(Cl)=NN1 BBL032574 [1,0,0,0,1,0|2,0,0]=4 63 B8R1.1 CCC1=NNC(N)=N1 BBL012583 [1,0,0,0,1,0|2,0,0]=4 64 B8R1.1 CN1C=NC(CN)=N1 BBL035090 [1,0,0,0,1,0|2,0,0]=4 65 B8R1.11 CC1=C(CO)N=CN1 BBL013124 [1,0,0,0,1,0|1,0,1]=4 66 B8R1.11 CC1=NON=C1CCl BBL040908 [1,0,0,0,1,0|2,0,0]=4 67 B8R1.11 CC1=NON=C1CI BBL036814 [1,0,0,0,1,0|2,0,0]=4 68 B8R1.11 CCN1N=CC=C1C BBL039617 [1,0,0,0,1,0|1,0,0]=3 69 B8R1.11 CCN1N=CC=C1N BBL040281 [1,0,0,0,1,0|2,0,0]=4 70 B8R1.11 CN1N=CC=C1CN BBL104311 [1,0,0,0,1,0|2,0,0]=4 71 B8R1.11 CN1N=CC=C1CO BBL040783 [1,0,0,0,1,0|2,0,0]=4 72 B8R1.18 CC1=C(C)SC(Br)=N1 BBL031925 [1,0,0,0,1,0|2,0,0]=4 73 B8R1.18 CC1=NC(Br)=NN1C BBL033203 [1,0,0,0,1,0|2,0,0]=4 74 B8R1.18 CC1=NC(Cl)=NN1C BBL033284 [1,0,0,0,1,0|2,0,0]=4 75 B8R1.18 CC1=NN(C)C=C1Br BBL016252 [1,0,0,0,1,0|2,0,0]=4 76 B8R1.18 CC1=NN(C)C=C1N BBL013092 [1,0,0,0,1,0|2,0,0]=4 77 B8R1.50 CC1=C(Br)C=NN1C BBL031474 [1,0,0,0,1,0|2,0,0]=4 78 B8R1.50 CC1=NNC(C)=C1N BBL005485 [1,0,0,0,1,0|2,0,0]=4 79 B8R1.50 CC1=NOC(C)=C1N BBL038495 [1,0,0,0,1,0|2,0,0]=4