0 B8R1.11 C#CC1=CC=NN1C B051427 [0,0,0,0,0,0|2,0,2]=4 1 B8R1.11 C(=O)C1=C(C)C=NN1 B039268 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.11 C(=O)C1=NC=NN1C B052001 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.11 CC1=C(C=O)C=NN1 B034879 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.11 CC1=C(C=O)C=NN1 B047429 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.11 CC1=C(CBr)SC=N1 B059808 [0,0,0,0,0,0|1,0,1]=2 6 B8R1.11 CC1=C(CN)SN=N1 B037979 [0,0,0,0,0,0|2,0,1]=3 7 B8R1.11 CC1=C(CO)N=CN1 B037486 [0,0,0,0,0,0|2,0,2]=4 8 B8R1.11 CC1=C(CO)SC=N1 B059809 [0,0,0,0,0,0|1,0,1]=2 9 B8R1.11 CC1=C(CO)SN=N1 B037631 [0,0,0,0,0,0|2,0,1]=3 10 B8R1.11 CC1=NNC=C1C#N B049606 [0,0,0,0,0,0|3,0,1]=4 11 B8R1.11 CC1=NNC=C1CN B049608 [0,0,0,0,0,0|3,0,1]=4 12 B8R1.11 CC1=NON=C1C#N B049626 [0,0,0,0,0,0|3,0,1]=4 13 B8R1.11 CC1=NON=C1CCl B006981 [0,0,0,0,0,0|3,0,1]=4 14 B8R1.11 CC1=NON=C1CN B049079 [0,0,0,0,0,0|3,0,1]=4 15 B8R1.11 CCC1=CC=NN1C B037958 [0,0,0,0,0,0|2,0,2]=4 16 B8R1.11 CN1C=CN=C1C=O B038490 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.11 CN1N=CC=C1C#N B036485 [0,0,0,0,0,0|3,0,1]=4 18 B8R1.11 CN1N=CC=C1C=O B007393 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.11 CN1N=CC=C1CBr B052534 [0,0,0,0,0,0|3,0,1]=4 20 B8R1.11 CN1N=CC=C1CCl B036160 [0,0,0,0,0,0|3,0,1]=4 21 B8R1.11 CN1N=CC=C1CCl B062237 [0,0,0,0,0,0|3,0,1]=4 22 B8R1.11 CN1N=CC=C1CN B007404 [0,0,0,0,0,0|3,0,1]=4 23 B8R1.11 CN1N=CC=C1CO B030040 [0,0,0,0,0,0|3,0,1]=4 24 B8R1.11 CN1N=CC=C1NN B052580 [0,0,0,0,0,0|4,0,0]=4 25 B8R1.11 CN1N=CN=C1CO B052548 [0,0,0,0,0,0|3,0,1]=4 26 B8R1.11 CN1N=CN=C1NN B052635 [0,0,0,0,0,0|4,0,0]=4 27 B7R1.1 C(=O)C1=CC=NN1 B039168 [1,0,0,0,0,0|3,0,0]=4 28 B7R1.1 ClCC1=CN=CS1 B059804 [1,0,0,0,0,0|1,0,1]=3 29 B7R1.1 NCC1=CN=CS1 B059797 [1,0,0,0,0,0|1,0,1]=3 30 B7R1.1 O=CC1=CNN=C1 B015969 [1,0,0,0,0,0|3,0,0]=4 31 B7R1.1 O=CC1=CNN=C1 B039241 [1,0,0,0,0,0|3,0,0]=4 32 B7R1.1 O=CC1=NC=CS1 B046187 [1,0,0,0,0,0|3,0,0]=4 33 B7R1.4 CC1=CC=NN1C B006758 [1,0,0,0,0,0|2,0,1]=4 34 B7R1.4 CC1=NC=CN1C B046339 [1,0,0,0,0,0|2,0,1]=4 35 B7R1.4 CC1=NNC=C1Br B030262 [1,0,0,0,0,0|3,0,0]=4 36 B7R1.4 CC1=NNC=C1Cl B020772 [1,0,0,0,0,0|3,0,0]=4 37 B7R1.4 CC1=NNC=C1I B047689 [1,0,0,0,0,0|3,0,0]=4 38 B7R1.4 CC1=NNC=C1N B047500 [1,0,0,0,0,0|3,0,0]=4 39 B7R1.4 CN1N=CC=C1Br B051184 [1,0,0,0,0,0|3,0,0]=4 40 B7R1.4 CN1N=CC=C1F B052471 [1,0,0,0,0,0|3,0,0]=4 41 B7R1.4 CN1N=CC=C1I B051213 [1,0,0,0,0,0|3,0,0]=4 42 B7R1.4 CN1N=CC=C1N B024266 [1,0,0,0,0,0|3,0,0]=4 43 B7R1.4 CN1N=CN=C1Br B051475 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.14 C(=O)C1=NC=NN1CC B052022 [0,1,0,0,0,0|3,0,0]=4 45 B9R1.14 CCN1N=CC=C1C=O B007399 [0,1,0,0,0,0|3,0,0]=4 46 B9R1.22 CC1=CC(C=O)=C(C)S1 B018517 [0,1,0,0,0,0|3,0,0]=4 47 B9R1.22 CC1=NN(C)C(C=O)=C1 B015985 [0,1,0,0,0,0|3,0,0]=4 48 B9R1.22 CC1=NN(C)C=C1C=O B000370 [0,1,0,0,0,0|3,0,0]=4 49 B9R1.22 CN1N=C(I)C=C1C=O B063049 [0,1,0,0,0,0|3,0,0]=4 50 B9R1.27 CC1=C(C=O)N(C)N=C1 B046156 [0,1,0,0,0,0|3,0,0]=4 51 B9R1.27 CN1N=CC(Br)=C1C=O B007395 [0,1,0,0,0,0|3,0,0]=4 52 B9R1.27 CN1N=CC(Cl)=C1C=O B007394 [0,1,0,0,0,0|3,0,0]=4 53 B9R1.27 CN1N=CC(I)=C1C=O B060766 [0,1,0,0,0,0|3,0,0]=4 54 B9R1.33 CNCC1=C(C)N=CS1 B059739 [0,1,0,0,0,0|0,0,2]=3 55 B9R1.41 CC(=O)C1=CC=NN1C B017805 [0,1,0,0,0,0|2,0,1]=4 56 B9R1.41 CC(=O)C1=NON=C1C B048952 [0,1,0,0,0,0|2,0,1]=4 57 B9R1.41 CC1=C(C(=O)Cl)SN=N1 B037485 [0,1,0,0,0,0|2,0,0]=3 58 B9R1.41 CC1=C(C(=O)O)SN=N1 B049290 [0,1,0,0,0,0|2,0,0]=3 59 B9R1.41 CC1=NNN=C1C(=O)O B017733 [0,1,0,0,0,0|3,0,0]=4 60 B9R1.41 CC1=NON=C1C(=O)O B036267 [0,1,0,0,0,0|3,0,0]=4 61 B9R1.41 CC1=NON=C1C(N)=O B049486 [0,1,0,0,0,0|3,0,0]=4 62 B9R1.41 CN1N=CC=C1C(=O)Cl B006621 [0,1,0,0,0,0|3,0,0]=4 63 B9R1.41 CN1N=CC=C1C(=O)O B000141 [0,1,0,0,0,0|3,0,0]=4 64 B9R1.41 CN1N=CC=C1C(N)=O B020779 [0,1,0,0,0,0|3,0,0]=4 65 B9R1.2 CC1=NC=CC(CN)=N1 B059729 [0,0,0,0,0,1|2,0,1]=4 66 B9R1.15 NC1=NC=CC=C1C=O B049085 [0,0,0,0,0,1|3,0,0]=4 67 B6R1.2 CC1=NNC=C1 B022230 [2,0,0,0,0,0|2,0,0]=4 68 B6R1.2 CN1C=CC=N1 B006761 [2,0,0,0,0,0|2,0,0]=4 69 B6R1.2 CN1C=NC=N1 B051876 [2,0,0,0,0,0|2,0,0]=4 70 B6R1.2 FC1=CC=CS1 B039753 [2,0,0,0,0,0|2,0,0]=4 71 B8R1.1 C(=O)C1=CC=C(F)S1 B039130 [1,1,0,0,0,0|2,0,0]=4 72 B8R1.1 CC1=CC=C(C=O)S1 B015983 [1,1,0,0,0,0|2,0,0]=4 73 B8R1.1 O=CC1=CC=C(Cl)S1 B022480 [1,1,0,0,0,0|2,0,0]=4 74 B8R1.1 O=CC1=CN=C(Cl)S1 B030507 [1,1,0,0,0,0|1,0,0]=3 75 B8R1.8 CNCC1=CN=CS1 B059805 [1,1,0,0,0,0|0,0,2]=4 76 B8R1.50 CC1=C(Br)N(C)C=N1 B058547 [1,1,0,0,0,0|2,0,0]=4 77 B8R1.50 CC1=C(Cl)N(C)C=N1 B058540 [1,1,0,0,0,0|2,0,0]=4 78 B8R1.50 CC1=C(I)N(C)C=N1 B051982 [1,1,0,0,0,0|2,0,0]=4 79 B10R1.59 CC1=C(C(=O)O)SC(N)=N1 B030024 [0,2,0,0,0,0|1,0,0]=3