0 B8R1.8 CCCC1=CC=CS1 B046363 [0,0,0,0,0,0|1,1,0]=2 1 B8R1.8 CCCN1C=CC=N1 B030577 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.8 CCCN1C=CN=C1 B046400 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.8 CNCC1=CC=NN1 B029937 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.8 CNCC1=CN=CS1 B059805 [0,0,0,0,0,0|2,1,0]=3 5 B8R1.8 CNCC1=NC=CN1 B059758 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.8 CNCC1=NC=CS1 B059668 [0,0,0,0,0,0|2,1,0]=3 7 B8R1.8 ClCCN1C=CC=N1 B021982 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.8 FCCN1C=CC=N1 B051599 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.8 N#CCN1C=CC=N1 B022149 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.8 NCCC1=CC=CO1 B029933 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.8 NCCC1=CC=CO1 B049455 [0,0,0,0,0,0|2,0,0]=2 12 B8R1.8 NCCC1=CNC=N1 B048931 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.8 NCCC1=NC=CS1 B059753 [0,0,0,0,0,0|3,1,0]=4 14 B8R1.8 NCCN1C=CC=N1 B016657 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.8 OCCN1C=CC=N1 B021981 [0,0,0,0,0,0|4,0,0]=4 16 B7R1.1 CCN1C=CC=N1 B006762 [1,0,0,0,0,0|2,0,0]=3 17 B7R1.1 CCN1C=CN=C1 B039755 [1,0,0,0,0,0|3,0,0]=4 18 B7R1.1 CCN1C=NC=N1 B051895 [1,0,0,0,0,0|3,0,0]=4 19 B7R1.1 ClCC1=CC=NO1 B049837 [1,0,0,0,0,0|2,0,0]=3 20 B7R1.1 ClCC1=CN=CS1 B059804 [1,0,0,0,0,0|2,1,0]=4 21 B7R1.1 ClCC1=CSC=N1 B039433 [1,0,0,0,0,0|3,0,0]=4 22 B7R1.1 ClCC1=NOC=C1 B049730 [1,0,0,0,0,0|3,0,0]=4 23 B7R1.1 NCC1=CN=CS1 B059797 [1,0,0,0,0,0|2,1,0]=4 24 B7R1.1 NCC1=NC=CS1 B059667 [1,0,0,0,0,0|2,1,0]=4 25 B7R1.1 NCC1=NNC=C1 B014395 [1,0,0,0,0,0|3,0,0]=4 26 B7R1.1 OCC1=NNC=C1 B047364 [1,0,0,0,0,0|2,1,0]=4 27 B9R1.7 CC1=NOC(CC#N)=C1 B047206 [0,1,0,0,0,0|3,0,0]=4 28 B9R1.7 CCCN1C=C(Cl)C=N1 B039697 [0,1,0,0,0,0|3,0,0]=4 29 B9R1.7 CCCN1C=C(I)C=N1 B047738 [0,1,0,0,0,0|3,0,0]=4 30 B9R1.7 CCCN1C=C(N)C=N1 B037116 [0,1,0,0,0,0|3,0,0]=4 31 B9R1.7 CCCN1C=CC(Br)=N1 B050959 [0,1,0,0,0,0|3,0,0]=4 32 B9R1.7 CCCN1C=CC(C)=N1 B030313 [0,1,0,0,0,0|3,0,0]=4 33 B9R1.7 CCCN1C=CC(I)=N1 B050974 [0,1,0,0,0,0|3,0,0]=4 34 B9R1.7 CCCN1C=CC(N)=N1 B021116 [0,1,0,0,0,0|3,0,0]=4 35 B9R1.7 CNCC1=CC(C)=NN1 B040392 [0,1,0,0,0,0|3,0,0]=4 36 B9R1.7 CNCC1=CC(C)=NO1 B038384 [0,1,0,0,0,0|2,0,0]=3 37 B9R1.7 CNCC1=CC=C(C)S1 B059730 [0,1,0,0,0,0|1,1,0]=3 38 B9R1.7 CNCC1=CC=C(F)S1 B052763 [0,1,0,0,0,0|1,1,0]=3 39 B9R1.7 CNCC1=NC(C)=CS1 B059734 [0,1,0,0,0,0|2,1,0]=4 40 B9R1.7 CNCC1=NN(C)C=C1 B007410 [0,1,0,0,0,0|3,0,0]=4 41 B9R1.7 CNCC1=NN(C)C=C1 B037080 [0,1,0,0,0,0|3,0,0]=4 42 B9R1.7 COCC1=NN(C)C=C1 B057315 [0,1,0,0,0,0|2,1,0]=4 43 B9R1.7 COCN1C=C(N)C=N1 B020590 [0,1,0,0,0,0|2,1,0]=4 44 B9R1.7 N#CCC1=CC=C(F)S1 B052452 [0,1,0,0,0,0|2,1,0]=4 45 B9R1.11 CCC(C)N1C=CC=N1 B036487 [0,1,0,0,0,0|3,0,0]=4 46 B9R1.11 CCC(N)C1=NC=CS1 B059785 [0,1,0,0,0,0|2,1,0]=4 47 B9R1.11 COC(=O)C1=CC=CN1 B049814 [0,1,0,0,0,0|1,1,1]=4 48 B9R1.11 COC(=O)C1=CC=NO1 B038949 [0,1,0,0,0,0|1,1,1]=4 49 B9R1.11 C\C(=N/O)C1=CC=CO1 B006531 [0,1,0,0,0,0|2,0,1]=4 50 B9R1.12 CCNCC1=NC=CN1 B059759 [0,1,0,0,0,0|3,0,0]=4 51 B9R1.12 CCNCC1=NC=CS1 B059748 [0,1,0,0,0,0|2,1,0]=4 52 B9R1.12 NCCCN1C=CC=N1 B007325 [0,1,0,0,0,0|3,0,0]=4 53 B9R1.12 OCCCN1C=CC=N1 B023925 [0,1,0,0,0,0|3,0,0]=4 54 B9R1.13 CC(=O)CN1C=CC=N1 B021105 [0,1,0,0,0,0|3,0,0]=4 55 B9R1.13 CC(C)CN1C=CC=N1 B034864 [0,1,0,0,0,0|3,0,0]=4 56 B9R1.13 CC(N)CC1=CC=CO1 B030489 [0,1,0,0,0,0|1,0,0]=2 57 B9R1.13 CC(N)CN1C=CC=N1 B021100 [0,1,0,0,0,0|3,0,0]=4 58 B9R1.13 CC(O)CN1C=CC=N1 B022021 [0,1,0,0,0,0|3,0,0]=4 59 B9R1.33 CCCN1N=CC=C1Br B052586 [0,1,0,0,0,0|3,0,0]=4 60 B9R1.33 CCCN1N=CC=C1C B030312 [0,1,0,0,0,0|3,0,0]=4 61 B9R1.33 CCCN1N=CC=C1I B051811 [0,1,0,0,0,0|3,0,0]=4 62 B9R1.33 CNCC1=C(C)N=CS1 B059739 [0,1,0,0,0,0|2,1,0]=4 63 B9R1.33 CNCC1=CC=NN1C B007412 [0,1,0,0,0,0|3,0,0]=4 64 B9R1.33 COCC1=CC=NN1C B057755 [0,1,0,0,0,0|2,1,0]=4 65 B9R2.2 C1=NNC(C2CC2)=C1 B021889 [0,0,0,1,0,0|3,0,0]=4 66 B9R1.8 BrCCC1=NC=CC=C1 B050856 [0,0,0,0,0,1|3,0,0]=4 67 B9R1.8 CNCC1=CC=CC=N1 B059678 [0,0,0,0,0,1|2,0,0]=3 68 B9R1.8 CNCC1=NC=CN=C1 B050431 [0,0,0,0,0,1|2,0,0]=3 69 B9R1.8 ClCCC1=NC=CC=C1 B050813 [0,0,0,0,0,1|3,0,0]=4 70 B9R1.8 NOCC1=CC=CC=C1 B022277 [0,0,0,0,0,1|2,1,0]=4 71 B6R1.2 CC1=NNC=C1 B022230 [2,0,0,0,0,0|2,0,0]=4 72 B6R1.2 CN1C=CC=N1 B006761 [2,0,0,0,0,0|2,0,0]=4 73 B6R1.2 FC1=CC=CS1 B039753 [2,0,0,0,0,0|1,1,0]=4 74 B8R1.1 CC1=CC=C(CN)S1 B030516 [1,1,0,0,0,0|1,1,0]=4 75 B8R1.1 CC1=NOC(CN)=C1 B038372 [1,1,0,0,0,0|2,0,0]=4 76 B8R1.1 CC1=NOC(CN)=C1 B039279 [1,1,0,0,0,0|2,0,0]=4 77 B8R1.1 CC1=NOC(CO)=C1 B037452 [1,1,0,0,0,0|1,1,0]=4 78 B8R1.1 CCC1=CC(Br)=CS1 B046186 [1,1,0,0,0,0|0,1,0]=3 79 B8R1.1 CCN1C=C(Br)C=N1 B039770 [1,1,0,0,0,0|2,0,0]=4 80 B8R1.1 CCN1C=C(C)C=N1 B052000 [1,1,0,0,0,0|2,0,0]=4 81 B8R1.1 CCN1C=C(Cl)C=N1 B039696 [1,1,0,0,0,0|2,0,0]=4 82 B8R1.1 CCN1C=C(I)C=N1 B047731 [1,1,0,0,0,0|2,0,0]=4 83 B8R1.1 CCN1C=C(N)C=N1 B038633 [1,1,0,0,0,0|2,0,0]=4 84 B8R1.1 CCN1C=CC(Br)=N1 B050957 [1,1,0,0,0,0|2,0,0]=4 85 B8R1.1 CCN1C=CC(C)=N1 B006751 [1,1,0,0,0,0|2,0,0]=4 86 B8R1.1 CCN1C=CC(I)=N1 B050972 [1,1,0,0,0,0|2,0,0]=4 87 B8R1.1 CCN1C=CC(N)=N1 B014445 [1,1,0,0,0,0|2,0,0]=4 88 B8R1.1 CCN1C=CC(N)=N1 B051587 [1,1,0,0,0,0|2,0,0]=4 89 B8R1.1 FC1=CC=C(CBr)S1 B058943 [1,1,0,0,0,0|1,1,0]=4 90 B8R1.1 FC1=CC=C(CCl)S1 B052448 [1,1,0,0,0,0|1,1,0]=4 91 B8R1.1 N#CC1=CC=C(Br)O1 B048731 [1,1,0,0,0,0|1,0,1]=4 92 B8R1.1 NCC1=CC=C(F)S1 B052432 [1,1,0,0,0,0|1,1,0]=4 93 B8R1.1 OCC1=CC=C(F)S1 B046290 [1,1,0,0,0,0|0,2,0]=4 94 B8R1.7 CC(C)C1=NNC=C1 B037623 [1,1,0,0,0,0|2,0,0]=4 95 B8R1.7 CC(C)N1C=CC=N1 B036490 [1,1,0,0,0,0|2,0,0]=4 96 B8R1.7 CC(N)C1=CC=CS1 B030506 [1,1,0,0,0,0|0,1,0]=3 97 B8R1.7 CC(N)C1=CSC=N1 B059754 [1,1,0,0,0,0|2,0,0]=4 98 B8R1.7 CC(N)C1=NC=CS1 B059669 [1,1,0,0,0,0|1,1,0]=4 99 B8R1.11 CCC1=CC=NN1C B037958 [1,1,0,0,0,0|2,0,0]=4 100 B8R1.11 CCN1N=CC=C1Br B060135 [1,1,0,0,0,0|2,0,0]=4 101 B8R1.11 CCN1N=CC=C1C B006759 [1,1,0,0,0,0|2,0,0]=4 102 B8R1.11 CCN1N=CC=C1F B051209 [1,1,0,0,0,0|2,0,0]=4 103 B8R1.11 CCN1N=CC=C1I B051207 [1,1,0,0,0,0|2,0,0]=4 104 B8R1.11 CCN1N=CC=C1N B024267 [1,1,0,0,0,0|2,0,0]=4 105 B10R1.1 CNCC1=CC=C(O)C=C1 B039566 [0,1,0,0,0,1|2,0,0]=4 106 B10R1.10 CNCC1=CC(O)=CC=C1 B039552 [0,1,0,0,0,1|2,0,0]=4 107 B10R1.15 CCC(N)C1=CC=CC=C1 B006605 [0,1,0,0,0,1|2,0,0]=4 108 B10R1.17 BrCCCC1=CN=CC=C1 B050854 [0,1,0,0,0,1|2,0,0]=4 109 B10R1.17 NCCCC1=CC=CC=N1 B048973 [0,1,0,0,0,1|2,0,0]=4 110 B10R1.18 CC(N)CC1=CC=CC=N1 B037029 [0,1,0,0,0,1|2,0,0]=4 111 B10R1.14 CNC(C)C1=CC=C(C)S1 B030519 [0,2,0,0,0,0|1,1,0]=4 112 B10R1.16 CCNCC1=CC=C(C)O1 B059777 [0,2,0,0,0,0|1,0,0]=3 113 B10R1.16 CCNCC1=CC=C(F)S1 B052764 [0,2,0,0,0,0|1,1,0]=4 114 B10R1.96 CCCC1=CC=C(C=O)S1 B030362 [0,2,0,0,0,0|1,1,0]=4 115 B10R1.96 COCC1=CC=C(C=O)O1 B001201 [0,2,0,0,0,0|0,1,0]=3 116 B10R1.21 OCCNCC1=CC=CS1 B059672 [0,2,0,0,0,0|1,1,0]=4 117 B10R1.27 CCC(=O)CC1=CC=CO1 B050873 [0,2,0,0,0,0|1,0,0]=3 118 B10R1.66 CC(N)CCC1=CC=CO1 B020889 [0,2,0,0,0,0|1,0,0]=3