0 B8R1.8 CCCC1=CC=CS1 B046363 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.8 CCCN1C=CC=N1 B030577 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.8 CCCN1C=CN=C1 B046400 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.8 CNCC1=CC=NN1 B029937 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.8 CNCC1=CN=CS1 B059805 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.8 CNCC1=NC=CN1 B059758 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.8 ClCCC1=CNN=C1 B047502 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.8 ClCCC1=NNN=N1 B049292 [0,0,0,0,0,0|3,0,1]=4 8 B8R1.8 ClCCN1C=CC=N1 B021982 [0,0,0,0,0,0|3,0,1]=4 9 B8R1.8 FCCN1C=CC=N1 B051599 [0,0,0,0,0,0|3,0,1]=4 10 B8R1.8 N#CCC1=NN=CN1 B050148 [0,0,0,0,0,0|1,0,2]=3 11 B8R1.8 N#CCC1=NN=NN1 B050444 [0,0,0,0,0,0|2,0,2]=4 12 B8R1.8 NCCC1=CC=CO1 B029933 [0,0,0,0,0,0|2,0,0]=2 13 B8R1.8 NCCC1=CC=CO1 B049455 [0,0,0,0,0,0|2,0,0]=2 14 B8R1.8 NCCC1=CNC=N1 B048931 [0,0,0,0,0,0|0,0,2]=2 15 B8R1.8 NCCC1=CNN=C1 B037041 [0,0,0,0,0,0|2,0,0]=2 16 B8R1.8 NCCC1=CNN=C1 B046264 [0,0,0,0,0,0|2,0,0]=2 17 B8R1.8 NCCC1=NC=CS1 B059753 [0,0,0,0,0,0|2,0,1]=3 18 B8R1.8 NCCN1C=CC=N1 B016657 [0,0,0,0,0,0|2,0,1]=3 19 B8R1.8 NCCN1C=CN=C1 B037992 [0,0,0,0,0,0|2,0,0]=2 20 B8R1.8 NCCN1C=CN=C1 B046367 [0,0,0,0,0,0|2,0,0]=2 21 B8R1.8 OCCC1=CNN=C1 B006537 [0,0,0,0,0,0|3,0,0]=3 22 B8R1.8 OCCC1=CNN=C1 B018513 [0,0,0,0,0,0|3,0,0]=3 23 B8R1.8 OCCC1=NNN=N1 B049291 [0,0,0,0,0,0|3,0,1]=4 24 B8R1.8 OCCN1C=CC=N1 B021981 [0,0,0,0,0,0|3,0,1]=4 25 B7R1.1 CCN1C=CC=N1 B006762 [1,0,0,0,0,0|2,0,1]=4 26 B7R1.1 CCN1C=CN=C1 B039755 [1,0,0,0,0,0|2,0,0]=3 27 B7R1.1 CCN1C=NC=N1 B051895 [1,0,0,0,0,0|1,0,1]=3 28 B7R1.1 ClCC1=CC=NO1 B049837 [1,0,0,0,0,0|3,0,0]=4 29 B7R1.1 ClCC1=CN=CS1 B059804 [1,0,0,0,0,0|2,0,0]=3 30 B7R1.1 ClCC1=CSC=N1 B039433 [1,0,0,0,0,0|2,0,1]=4 31 B7R1.1 NCC1=CN=CS1 B059797 [1,0,0,0,0,0|1,0,0]=2 32 B7R1.1 NCC1=CNN=C1 B037991 [1,0,0,0,0,0|2,0,0]=3 33 B7R1.1 NCC1=CNN=C1 B046389 [1,0,0,0,0,0|2,0,0]=3 34 B7R1.1 NCC1=NC=CS1 B059667 [1,0,0,0,0,0|2,0,1]=4 35 B7R1.1 NCC1=NNC=C1 B014395 [1,0,0,0,0,0|2,0,1]=4 36 B7R1.1 OCC1=CN=NN1 B049677 [1,0,0,0,0,0|2,0,0]=3 37 B7R1.1 OCC1=CNN=C1 B047363 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.7 CC1=CN(CCF)C=N1 B060686 [0,1,0,0,0,0|3,0,0]=4 39 B9R1.7 CC1=CN(CCN)N=C1 B016664 [0,1,0,0,0,0|2,0,1]=4 40 B9R1.7 CC1=CN(CCN)N=C1 B038611 [0,1,0,0,0,0|2,0,1]=4 41 B9R1.7 CC1=NN(CCN)C=C1 B023878 [0,1,0,0,0,0|2,0,1]=4 42 B9R1.7 CN1C=C(CCCl)C=N1 B047504 [0,1,0,0,0,0|3,0,0]=4 43 B9R1.7 CN1C=C(CCN)C=N1 B047486 [0,1,0,0,0,0|2,0,0]=3 44 B9R1.7 CN1C=C(CCN)C=N1 B047580 [0,1,0,0,0,0|2,0,0]=3 45 B9R1.7 CN1C=C(CCO)C=N1 B038461 [0,1,0,0,0,0|3,0,0]=4 46 B9R1.7 CN1C=CC(CCN)=N1 B047652 [0,1,0,0,0,0|2,0,1]=4 47 B9R1.7 NCCC1=NNC(N)=N1 B049368 [0,1,0,0,0,0|1,0,2]=4 48 B9R1.7 NCCN1C=C(Br)C=N1 B016101 [0,1,0,0,0,0|2,0,1]=4 49 B9R1.7 NCCN1C=C(Cl)C=N1 B014438 [0,1,0,0,0,0|2,0,1]=4 50 B9R1.7 NCCN1C=C(Cl)C=N1 B020482 [0,1,0,0,0,0|2,0,1]=4 51 B9R1.7 NCCN1C=CC(Br)=N1 B050955 [0,1,0,0,0,0|2,0,1]=4 52 B9R1.11 CC(CN)N1C=CC=N1 B037385 [0,1,0,0,0,0|2,0,1]=4 53 B9R1.11 CC(CN)N1C=NC=N1 B050435 [0,1,0,0,0,0|1,0,1]=3 54 B9R1.12 CCNCC1=NC=CN1 B059759 [0,1,0,0,0,0|3,0,0]=4 55 B9R1.12 CNCCC1=CNN=C1 B037042 [0,1,0,0,0,0|2,0,0]=3 56 B9R1.12 ClCCCC1=CNN=C1 B047247 [0,1,0,0,0,0|3,0,0]=4 57 B9R1.12 N#CCCC1=CNN=C1 B047503 [0,1,0,0,0,0|2,0,1]=4 58 B9R1.12 N#CCCC1=CNN=C1 B047511 [0,1,0,0,0,0|2,0,1]=4 59 B9R1.12 NCCCC1=CNN=C1 B037045 [0,1,0,0,0,0|2,0,0]=3 60 B9R1.12 NCCCC1=CNN=C1 B047246 [0,1,0,0,0,0|2,0,0]=3 61 B9R1.12 NCCCN1C=CC=N1 B007325 [0,1,0,0,0,0|2,0,1]=4 62 B9R1.12 NCCCN1C=CN=C1 B022339 [0,1,0,0,0,0|2,0,0]=3 63 B9R1.12 OCCCC1=CNN=C1 B047225 [0,1,0,0,0,0|3,0,0]=4 64 B9R1.13 CC(N)CC1=CC=CO1 B030489 [0,1,0,0,0,0|2,0,0]=3 65 B9R1.13 CC(N)CN1C=CC=N1 B021100 [0,1,0,0,0,0|2,0,1]=4 66 B9R1.13 CC(N)CN1C=CN=C1 B049820 [0,1,0,0,0,0|2,0,0]=3 67 B9R1.13 CC(N)CN1C=NC=N1 B050434 [0,1,0,0,0,0|1,0,1]=3 68 B9R1.13 NC(=O)CC1=NN=NN1 B049621 [0,1,0,0,0,0|2,0,1]=4 69 B9R1.33 CC1=CC=NN1CCN B023879 [0,1,0,0,0,0|2,0,1]=4 70 B9R1.33 CCSC1=NN=CN1N B023031 [0,1,0,0,0,0|3,0,0]=4 71 B9R1.33 CN1C=CN=C1CCN B059762 [0,1,0,0,0,0|2,0,0]=3 72 B9R1.33 CN1C=NN=C1CCN B039493 [0,1,0,0,0,0|1,0,0]=2 73 B9R1.33 CN1C=NN=C1CCN B051824 [0,1,0,0,0,0|1,0,0]=2 74 B9R1.33 CN1N=CC=C1CCN B047655 [0,1,0,0,0,0|2,0,0]=3 75 B9R1.33 CNCC1=C(C)N=CS1 B059739 [0,1,0,0,0,0|3,0,0]=4 76 B9R2.2 C1=NNC(C2CC2)=C1 B021889 [0,0,0,1,0,0|3,0,0]=4 77 B9R1.8 BrCCC1=NC=CC=C1 B050856 [0,0,0,0,0,1|2,0,1]=4 78 B9R1.8 CNCC1=NC=CN=C1 B050431 [0,0,0,0,0,1|2,0,1]=4 79 B9R1.8 ClCCC1=NC=CC=C1 B050813 [0,0,0,0,0,1|2,0,1]=4 80 B9R1.8 NOCC1=CC=CC=C1 B022277 [0,0,0,0,0,1|3,0,0]=4 81 B6R1.2 CC1=CNN=C1 B014452 [2,0,0,0,0,0|2,0,0]=4 82 B6R1.2 CC1=NN=CN1 B037419 [2,0,0,0,0,0|1,0,0]=3 83 B6R1.2 CN1C=CN=C1 B039756 [2,0,0,0,0,0|2,0,0]=4 84 B6R1.2 CN1C=NC=N1 B051876 [2,0,0,0,0,0|1,0,1]=4 85 B6R1.2 NC1=CCNN1 B029440 [2,0,0,0,0,0|2,0,0]=4 86 B6R1.2 NC1=CNN=C1 B035785 [2,0,0,0,0,0|2,0,0]=4 87 B6R1.2 NC1=CNN=C1 B035956 [2,0,0,0,0,0|2,0,0]=4 88 B6R1.2 NC1=NC=NS1 B050769 [2,0,0,0,0,0|1,0,1]=4 89 B8R1.1 CC1=CC=C(CN)S1 B030516 [1,1,0,0,0,0|2,0,0]=4 90 B8R1.1 CC1=NNC(CN)=C1 B040410 [1,1,0,0,0,0|2,0,0]=4 91 B8R1.1 CC1=NNC(CN)=N1 B049336 [1,1,0,0,0,0|1,0,1]=4 92 B8R1.1 CC1=NOC(CN)=C1 B038372 [1,1,0,0,0,0|2,0,0]=4 93 B8R1.1 CC1=NOC(CN)=C1 B039279 [1,1,0,0,0,0|2,0,0]=4 94 B8R1.1 CCC1=CC(Br)=CS1 B046186 [1,1,0,0,0,0|2,0,0]=4 95 B8R1.1 CCC1=NN=C(S)N1 B035918 [1,1,0,0,0,0|1,0,0]=3 96 B8R1.1 CCN1C=NC(Br)=N1 B052021 [1,1,0,0,0,0|1,0,1]=4 97 B8R1.1 CCN1C=NC(C)=C1 B051963 [1,1,0,0,0,0|2,0,0]=4 98 B8R1.1 CCN1C=NC(N)=N1 B046260 [1,1,0,0,0,0|1,0,1]=4 99 B8R1.1 CCN1C=NC(N)=N1 B047055 [1,1,0,0,0,0|1,0,1]=4 100 B8R1.1 CN1C=C(CN)C=N1 B000529 [1,1,0,0,0,0|2,0,0]=4 101 B8R1.1 NCC1=CC=C(F)S1 B052432 [1,1,0,0,0,0|2,0,0]=4 102 B8R1.7 CC(C)N1C=CN=C1 B039769 [1,1,0,0,0,0|2,0,0]=4 103 B8R1.7 CC(C)N1C=NC=N1 B051927 [1,1,0,0,0,0|1,0,1]=4 104 B8R1.7 CC(N)C1=CC=CS1 B030506 [1,1,0,0,0,0|2,0,0]=4 105 B8R1.7 CC(N)C1=CSC=N1 B059754 [1,1,0,0,0,0|1,0,1]=4 106 B8R1.11 CC1=C(CBr)SC=N1 B059808 [1,1,0,0,0,0|2,0,0]=4 107 B8R1.11 CC1=C(CN)SN=N1 B037979 [1,1,0,0,0,0|2,0,0]=4 108 B8R1.11 CC1=C(CO)SC=N1 B059809 [1,1,0,0,0,0|2,0,0]=4 109 B8R1.11 CC1=NNC=C1CN B049608 [1,1,0,0,0,0|2,0,0]=4 110 B8R1.11 CC1=NON=C1CN B049079 [1,1,0,0,0,0|1,0,1]=4 111 B8R1.11 CCC1=CC=NN1C B037958 [1,1,0,0,0,0|2,0,0]=4 112 B8R1.11 CCN1C=NC=C1C B051962 [1,1,0,0,0,0|2,0,0]=4 113 B8R1.11 CCN1N=CN=C1Br B052020 [1,1,0,0,0,0|1,0,1]=4 114 B8R1.11 CN1N=CC=C1CN B007404 [1,1,0,0,0,0|2,0,0]=4 115 B8R1.11 CN1N=CC=C1CN B016043 [1,1,0,0,0,0|2,0,0]=4 116 B8R1.11 CSC1=NN=CN1N B018546 [1,1,0,0,0,0|2,0,0]=4 117 B10R1.17 BrCCCC1=CN=CC=C1 B050854 [0,1,0,0,0,1|2,0,0]=4 118 B10R1.17 NCCCC1=CC=CC=N1 B048973 [0,1,0,0,0,1|1,0,1]=4 119 B10R1.18 CC(N)CC1=CC=CC=N1 B037029 [0,1,0,0,0,1|1,0,1]=4 120 B10R1.16 CN1C=C(CCCN)C=N1 B047487 [0,2,0,0,0,0|2,0,0]=4 121 B10R1.16 CN1C=C(CCCN)C=N1 B047581 [0,2,0,0,0,0|2,0,0]=4 122 B10R1.16 NC1=NN=C(CCCO)N1 B016051 [0,2,0,0,0,0|2,0,0]=4 123 B10R1.54 CC(N)CC1=CN(C)N=C1 B051166 [0,2,0,0,0,0|2,0,0]=4 124 B10R1.149 CN1C=CN=C1C(O)CN B022239 [0,2,0,0,0,0|2,0,0]=4 125 B10R1.27 CCC(N)CN1C=CN=C1 B049400 [0,2,0,0,0,0|2,0,0]=4 126 B10R1.29 CC1=NC=CN1CCCN B048780 [0,2,0,0,0,0|2,0,0]=4 127 B10R1.29 CN1N=NN=C1SCCN B049971 [0,2,0,0,0,0|2,0,0]=4 128 B10R1.66 CC(C)NCC1=CN=CS1 B059724 [0,2,0,0,0,0|2,0,0]=4 129 B10R1.66 CC(N)CCC1=CC=CO1 B020889 [0,2,0,0,0,0|2,0,0]=4 130 B10R1.64 CC(N)CC1=CC=NN1C B051165 [0,2,0,0,0,0|2,0,0]=4 131 B10R1.5 CCN1N=CC=C1CCN B047435 [0,2,0,0,0,0|2,0,0]=4 132 B10R1.187 CC1=NNC(C)=C1CCN B049151 [0,2,0,0,0,0|2,0,0]=4