0 B9R1.12 CCNCC1=NC=CN1 B059759 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.12 CCNCC1=NC=CS1 B059748 [0,0,0,0,0,0|2,1,0]=3 2 B9R1.12 NCCCN1C=CC=N1 B007325 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.12 OCCCN1C=CC=N1 B023925 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.8 CCCC1=CC=CS1 B046363 [1,0,0,0,0,0|0,1,0]=2 5 B8R1.8 CCCN1C=CC=N1 B030577 [1,0,0,0,0,0|2,0,0]=3 6 B8R1.8 CCCN1C=CN=C1 B046400 [1,0,0,0,0,0|3,0,0]=4 7 B8R1.8 CNCC1=CC=NN1 B029937 [1,0,0,0,0,0|3,0,0]=4 8 B8R1.8 CNCC1=CN=CS1 B059805 [1,0,0,0,0,0|2,1,0]=4 9 B8R1.8 CNCC1=NC=CN1 B059758 [1,0,0,0,0,0|3,0,0]=4 10 B8R1.8 CNCC1=NC=CS1 B059668 [1,0,0,0,0,0|2,1,0]=4 11 B8R1.8 ClCCN1C=CC=N1 B021982 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.8 FCCN1C=CC=N1 B051599 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.8 NCCC1=CC=CO1 B029933 [1,0,0,0,0,0|1,0,0]=2 14 B8R1.8 NCCC1=CC=CO1 B049455 [1,0,0,0,0,0|1,0,0]=2 15 B8R1.8 NCCC1=CNC=N1 B048931 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.8 NCCC1=NC=CS1 B059753 [1,0,0,0,0,0|2,1,0]=4 17 B8R1.8 NCCN1C=CC=N1 B016657 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.8 OCCN1C=CC=N1 B021981 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.11 CCOC(=O)C1=CC=NN1 B016205 [0,1,0,0,0,0|2,0,1]=4 20 B10R1.11 CCOC(C)N1C=CC=N1 B051262 [0,1,0,0,0,0|2,0,0]=3 21 B10R1.16 CCCCN1C=CC(C)=N1 B036123 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.16 CCCCN1C=CC(N)=N1 B024249 [0,1,0,0,0,0|3,0,0]=4 23 B10R1.16 CCNCC1=CC=C(C)O1 B059777 [0,1,0,0,0,0|1,0,0]=2 24 B10R1.16 CCNCC1=CC=C(F)S1 B052764 [0,1,0,0,0,0|1,1,0]=3 25 B10R1.16 CCNCC1=NC(C)=CS1 B059771 [0,1,0,0,0,0|2,1,0]=4 26 B10R1.16 CCNCC1=NN(C)C=C1 B052972 [0,1,0,0,0,0|3,0,0]=4 27 B10R1.16 CCNCC1=NN=C(C)O1 B039396 [0,1,0,0,0,0|3,0,0]=4 28 B10R1.16 CCOCC1=NN(C)C=C1 B057328 [0,1,0,0,0,0|2,0,0]=3 29 B10R1.16 CCOCN1C=C(N)C=N1 B020643 [0,1,0,0,0,0|2,0,0]=3 30 B10R1.21 CCCCNC1=NC=CS1 B029547 [0,1,0,0,0,0|2,1,0]=4 31 B10R1.21 OCCNCC1=CC=CS1 B059672 [0,1,0,0,0,0|1,1,0]=3 32 B10R1.27 CCC(=O)CC1=CC=CO1 B050873 [0,1,0,0,0,0|1,0,0]=2 33 B10R1.29 CCCCC1=CC=NN1C B046355 [0,1,0,0,0,0|3,0,0]=4 34 B10R1.29 CCCCN1N=CC=C1C B036124 [0,1,0,0,0,0|3,0,0]=4 35 B10R1.29 CCCCN1N=CC=C1N B063497 [0,1,0,0,0,0|3,0,0]=4 36 B10R1.29 CCNCC1=CC=NN1C B052949 [0,1,0,0,0,0|3,0,0]=4 37 B10R1.29 CCOCC1=CC=NN1C B057768 [0,1,0,0,0,0|2,0,0]=3 38 B10R1.66 CC(C)NCC1=CN=CS1 B059724 [0,1,0,0,0,0|2,1,0]=4 39 B10R1.66 CC(C)NCC1=NC=CN1 B059718 [0,1,0,0,0,0|3,0,0]=4 40 B10R1.66 CC(N)CCC1=CC=CO1 B020889 [0,1,0,0,0,0|1,0,0]=2 41 B10R1.17 BrCCCC1=CN=CC=C1 B050854 [0,0,0,0,0,1|3,0,0]=4 42 B10R1.17 NCCCC1=CC=CC=N1 B048973 [0,0,0,0,0,1|3,0,0]=4 43 B7R1.1 CCC1=CC=NO1 B063494 [2,0,0,0,0,0|1,0,0]=3 44 B7R1.1 CCC1=NNC=C1 B063501 [2,0,0,0,0,0|2,0,0]=4 45 B7R1.1 CCN1C=CC=N1 B006762 [2,0,0,0,0,0|2,0,0]=4 46 B7R1.1 ClCC1=CC=NO1 B049837 [2,0,0,0,0,0|2,0,0]=4 47 B7R1.1 OCC1=NNC=C1 B047364 [2,0,0,0,0,0|2,0,0]=4 48 B9R1.7 CCCN1C=C(Cl)C=N1 B039697 [1,1,0,0,0,0|2,0,0]=4 49 B9R1.7 CCCN1C=C(I)C=N1 B047738 [1,1,0,0,0,0|2,0,0]=4 50 B9R1.7 CCCN1C=C(N)C=N1 B037116 [1,1,0,0,0,0|2,0,0]=4 51 B9R1.7 CCCN1C=CC(Br)=N1 B050959 [1,1,0,0,0,0|2,0,0]=4 52 B9R1.7 CCCN1C=CC(C)=N1 B030313 [1,1,0,0,0,0|2,0,0]=4 53 B9R1.7 CCCN1C=CC(I)=N1 B050974 [1,1,0,0,0,0|2,0,0]=4 54 B9R1.7 CCCN1C=CC(N)=N1 B021116 [1,1,0,0,0,0|2,0,0]=4 55 B9R1.7 CNCC1=CC(C)=NO1 B038384 [1,1,0,0,0,0|2,0,0]=4 56 B9R1.7 CNCC1=CC=C(C)S1 B059730 [1,1,0,0,0,0|1,1,0]=4 57 B9R1.7 CNCC1=CC=C(F)S1 B052763 [1,1,0,0,0,0|1,1,0]=4 58 B9R1.7 COCC1=NN(C)C=C1 B057315 [1,1,0,0,0,0|2,0,0]=4 59 B9R1.7 COCN1C=C(N)C=N1 B020590 [1,1,0,0,0,0|2,0,0]=4 60 B9R1.11 CCC(C)N1C=CC=N1 B036487 [1,1,0,0,0,0|2,0,0]=4 61 B9R1.11 CCC(N)C1=NC=CS1 B059785 [1,1,0,0,0,0|1,1,0]=4 62 B9R1.11 COC(=O)C1=CC=CN1 B049814 [1,1,0,0,0,0|1,0,1]=4 63 B9R1.11 COC(=O)C1=CC=NO1 B038949 [1,1,0,0,0,0|1,0,1]=4 64 B9R1.13 CC(C)CN1C=CC=N1 B034864 [1,1,0,0,0,0|2,0,0]=4 65 B9R1.13 CC(N)CC1=CC=CO1 B030489 [1,1,0,0,0,0|0,0,0]=2 66 B9R1.13 CC(N)CN1C=CC=N1 B021100 [1,1,0,0,0,0|2,0,0]=4 67 B9R1.13 CC(O)CN1C=CC=N1 B022021 [1,1,0,0,0,0|2,0,0]=4 68 B9R1.33 CCCN1N=CC=C1Br B052586 [1,1,0,0,0,0|2,0,0]=4 69 B9R1.33 CCCN1N=CC=C1C B030312 [1,1,0,0,0,0|2,0,0]=4 70 B9R1.33 CCCN1N=CC=C1I B051811 [1,1,0,0,0,0|2,0,0]=4 71 B9R1.33 COCC1=CC=NN1C B057755 [1,1,0,0,0,0|2,0,0]=4 72 B11R1.15 CCOC(=O)C1=CC=C(F)S1 B047311 [0,2,0,0,0,0|0,1,1]=4 73 B11R1.15 CCOC(C)N1C=C(I)C=N1 B051252 [0,2,0,0,0,0|2,0,0]=4 74 B11R1.199 CCOC(=O)C1=C(C)N=CO1 B049687 [0,2,0,0,0,0|1,0,1]=4 75 B11R1.27 CCCOCC1=NN(C)C=C1 B057340 [0,2,0,0,0,0|2,0,0]=4 76 B11R1.27 CN1C=CC(COCCN)=N1 B047334 [0,2,0,0,0,0|2,0,0]=4 77 B11R1.75 CC(C)NCC1=CC=C(F)S1 B052765 [0,2,0,0,0,0|1,1,0]=4 78 B11R1.75 CC(C)OCC1=NN(C)C=C1 B057353 [0,2,0,0,0,0|2,0,0]=4 79 B11R1.75 CC1=CC=C(CNC(C)C)O1 B059716 [0,2,0,0,0,0|1,0,0]=3 80 B11R1.214 CCOCC1=NN(CC)C=C1 B057329 [0,2,0,0,0,0|2,0,0]=4 81 B11R1.230 CCOCC1=CC(N)=NN1C B058254 [0,2,0,0,0,0|2,0,0]=4 82 B11R1.230 CCOCC1=NN(C)C=C1Br B057506 [0,2,0,0,0,0|2,0,0]=4 83 B11R1.230 CCOCC1=NN(C)C=C1Cl B057417 [0,2,0,0,0,0|2,0,0]=4 84 B11R1.230 CCOCC1=NN(C)C=C1I B057595 [0,2,0,0,0,0|2,0,0]=4 85 B11R1.231 CCOCC1=NN(C)C(N)=C1 B058442 [0,2,0,0,0,0|2,0,0]=4 86 B11R1.25 CNC(C)CCC1=CC=CO1 B020890 [0,2,0,0,0,0|1,0,0]=3 87 B11R1.172 FC(F)CNCC1=CC=CO1 B039768 [0,2,0,0,0,0|1,0,0]=3 88 B11R1.180 CCCOCC1=CC=NN1C B057780 [0,2,0,0,0,0|2,0,0]=4 89 B11R1.18 CCOCC1=CC=NN1CC B057769 [0,2,0,0,0,0|2,0,0]=4 90 B11R1.90 CC(C)OCC1=CC=NN1C B057793 [0,2,0,0,0,0|2,0,0]=4 91 B11R1.465 CCOCC1=C(Br)C=NN1C B057946 [0,2,0,0,0,0|2,0,0]=4 92 B11R1.465 CCOCC1=C(I)C=NN1C B057857 [0,2,0,0,0,0|2,0,0]=4 93 B9R2.2 C1=NNC(C2CC2)=C1 B021889 [1,0,0,1,0,0|2,0,0]=4 94 B11R2.2 C1=COC(C2CCCN2)=C1 B037001 [0,1,0,1,0,0|1,0,0]=3 95 B11R2.2 C1=CSC(C2CCCN2)=C1 B037003 [0,1,0,1,0,0|1,1,0]=4 96 B11R2.2 C1=CSC(C2OCCO2)=N1 B059810 [0,1,0,1,0,0|1,1,0]=4 97 B11R2.106 CC1NCCN2C=CC=C12 B050794 [0,1,0,1,0,0|2,0,0]=4