0 B8R1.8 CCCC1=NC=CN1 P1456 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.8 CCCC1=NC=CN1 P1456 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.8 CCSC1=NN=NN1 E1114 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.8 N#CCC1=CC=CS1 T5379 [0,0,0,0,0,0|2,0,2]=4 4 B8R1.8 N#CCC1=CSC=C1 T2219 [0,0,0,0,0,0|2,0,2]=4 5 B8R1.8 NCCC1=CC=CS1 T0651 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.8 NCCC1=CNC=N1 H2293 [0,0,0,0,0,0|0,0,2]=2 7 B8R1.8 NCCC1=CNC=N1 H2389 [0,0,0,0,0,0|0,0,2]=2 8 B8R1.8 NCCC1=CSC=C1 A18159 [0,0,0,0,0,0|2,0,0]=2 9 B8R1.8 NCCN1C=CN=C1 E19344 [0,0,0,0,0,0|2,0,0]=2 10 B8R1.8 NCCN1C=CN=C1 I12545 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.8 OCCC1=CC=CS1 T0443 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.8 OCCC1=CNC=N1 I11788 [0,0,0,0,0,0|1,0,2]=3 13 B8R1.8 OCCC1=CNC=N1 I11788 [0,0,0,0,0,0|1,0,2]=3 14 B8R1.8 OCCN1C=CN=C1 H1461 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.8 OCCN1C=CN=N1 T7331 [0,0,0,0,0,0|4,0,0]=4 16 B8R1.8 OCCN1C=NC=N1 H3669 [0,0,0,0,0,0|2,0,1]=3 17 B8R1.8 OCCN1C=NN=C1 H3524 [0,0,0,0,0,0|4,0,0]=4 18 B7R1.1 BrCC1=CSC=C1 B8083 [1,0,0,0,0,0|3,0,0]=4 19 B7R1.1 BrCC1=CSC=C1 B8083 [1,0,0,0,0,0|3,0,0]=4 20 B7R1.1 CCC1=NC=CN1 E1455 [1,0,0,0,0,0|2,0,0]=3 21 B7R1.1 CSC1=NN=NN1 M4326 [1,0,0,0,0,0|3,0,0]=4 22 B7R1.1 ClCC1=CSC=N1 C14673 [1,0,0,0,0,0|2,0,1]=4 23 B7R1.1 ClCC1=CSC=N1 C14673 [1,0,0,0,0,0|2,0,1]=4 24 B7R1.1 ClCC1=NN=NN1 C4327 [1,0,0,0,0,0|3,0,0]=4 25 B7R1.1 NCC1=CC=CO1 F2158 [1,0,0,0,0,0|2,0,0]=3 26 B7R1.1 NCC1=CC=CS1 T3333 [1,0,0,0,0,0|2,0,0]=3 27 B7R1.1 NCC1=NC=CN1 I17075 [1,0,0,0,0,0|2,0,0]=3 28 B7R1.1 NCC1=NC=CS1 A16694 [1,0,0,0,0,0|2,0,1]=4 29 B7R1.1 NCC1=NNC=C1 P17146 [1,0,0,0,0,0|2,0,1]=4 30 B7R1.1 O=CC1=CC=CN1 P4103 [1,0,0,0,0,0|2,0,1]=4 31 B7R1.1 O=CC1=CC=CN1 P4103 [1,0,0,0,0,0|2,0,1]=4 32 B7R1.1 O=CC1=CN=CS1 T17632 [1,0,0,0,0,0|2,0,1]=4 33 B7R1.1 OCC1=CN=CS1 H15363 [1,0,0,0,0,0|2,0,0]=3 34 B7R1.1 OCC1=CNC=N1 H11787 [1,0,0,0,0,0|1,0,2]=4 35 B7R1.1 OCC1=CNC=N1 H4012 [1,0,0,0,0,0|1,0,2]=4 36 B7R1.1 OCC1=NC=CN1 I14917 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.7 CCCC1=NC(C)=CN1 M17091 [0,1,0,0,0,0|3,0,0]=4 38 B9R1.11 NNC(=O)C1=CN=CS1 T17637 [0,1,0,0,0,0|2,0,1]=4 39 B9R1.12 NCCCN1C=CN=C1 A4085 [0,1,0,0,0,0|2,0,0]=3 40 B9R1.12 NCCCN1C=CN=N1 A5118 [0,1,0,0,0,0|3,0,0]=4 41 B9R1.13 N=C(N)CC1=CC=CS1 T13938 [0,1,0,0,0,0|2,0,1]=4 42 B9R1.33 C(=O)CC1=C(C)N=CS1 M2420 [0,1,0,0,0,0|2,0,1]=4 43 B9R1.33 CC1=C(CCO)SC=N1 M0369 [0,1,0,0,0,0|2,0,0]=3 44 B9R1.33 CC1=NC=CN1CCN M19345 [0,1,0,0,0,0|2,0,0]=3 45 B9R1.33 CC1=NC=CN1CCO H3729 [0,1,0,0,0,0|3,0,0]=4 46 B9R1.33 CCOC1=C(C)N=CO1 M6716 [0,1,0,0,0,0|3,0,0]=4 47 B9R1.33 CN1C=CC=C1CC#N M0836 [0,1,0,0,0,0|1,0,2]=4 48 B9R1.33 CNCC1=CN=CN1C M16355 [0,1,0,0,0,0|2,0,0]=3 49 B9R1.8 BrCCC1=CC=CC=C1 B1499 [0,0,0,0,0,1|3,0,0]=4 50 B9R1.8 BrCCC1=NC=CC=C1 B18468 [0,0,0,0,0,1|2,0,1]=4 51 B9R1.8 CNCC1=CN=CC=C1 M13405 [0,0,0,0,0,1|3,0,0]=4 52 B9R1.8 NCCC1=CC=CC=C1 P18797 [0,0,0,0,0,1|2,0,0]=3 53 B9R1.8 NCCC1=CC=CC=C1 P19425 [0,0,0,0,0,1|2,0,0]=3 54 B9R1.8 NCCC1=CC=CC=N1 P3233 [0,0,0,0,0,1|1,0,1]=3 55 B9R1.8 NCCC1=CC=CN=C1 A18111 [0,0,0,0,0,1|1,0,0]=2 56 B9R1.8 NCCC1=CC=NC=C1 A18195 [0,0,0,0,0,1|1,0,0]=2 57 B9R1.8 NCCC1=CCCCC1 C3468 [0,0,0,0,0,1|2,0,1]=4 58 B9R1.8 NCCC1=CN=CC=C1 A12910 [0,0,0,0,0,1|1,0,0]=2 59 B9R1.8 NNCC1=CC=CC=C1 B8798 [0,0,0,0,0,1|3,0,0]=4 60 B9R1.8 NOCC1=CC=CC=C1 B7490 [0,0,0,0,0,1|3,0,0]=4 61 B9R1.8 NOCC1=CC=CC=C1 B7490 [0,0,0,0,0,1|3,0,0]=4 62 B9R1.8 OCCC1=NC=CC=C1 P0121 [0,0,0,0,0,1|2,0,1]=4 63 B9R1.8 OCCC1=NC=CN=C1 H13361 [0,0,0,0,0,1|1,0,1]=3 64 B6R0.1 C=CC(=O)CCC H17062 [1,0,1,0,0,0|2,0,0]=4 65 B6R0.1 C=CC(O)CCN A15818 [1,0,1,0,0,0|1,0,1]=4 66 B6R0.1 CCC\C(N)=N/O H14022 [1,0,1,0,0,0|2,0,0]=4 67 B6R0.1 N\C(CCCl)=N/O C13124 [1,0,1,0,0,0|2,0,0]=4 68 B6R0.1 N\C(CCO)=N/O D13760 [1,0,1,0,0,0|2,0,0]=4 69 B6R1.2 CC1=CNC=N1 M0110 [2,0,0,0,0,0|0,0,2]=4 70 B6R1.2 CC1=CON=C1 M14375 [2,0,0,0,0,0|2,0,0]=4 71 B6R1.2 CC1=NC=CN1 M18847 [2,0,0,0,0,0|2,0,0]=4 72 B6R1.2 CC1=NN=NN1 M1394 [2,0,0,0,0,0|2,0,0]=4 73 B6R1.2 NC1=CN=NS1 A3755 [2,0,0,0,0,0|2,0,0]=4 74 B6R1.2 NC1=CN=NS1 A3755 [2,0,0,0,0,0|2,0,0]=4 75 B6R1.2 NC1=CSC=N1 A19319 [2,0,0,0,0,0|1,0,1]=4 76 B6R1.2 NC1=NC=CN1 A6573 [2,0,0,0,0,0|2,0,0]=4 77 B6R1.2 NC1=NN=CS1 T5400 [2,0,0,0,0,0|2,0,0]=4 78 B6R1.2 NC1=NN=CS1 T5400 [2,0,0,0,0,0|2,0,0]=4 79 B6R1.2 NC1=NN=NN1 A13272 [2,0,0,0,0,0|2,0,0]=4 80 B8R1.1 CCC1=NC(C)=CN1 E1457 [1,1,0,0,0,0|2,0,0]=4 81 B8R1.1 CCC1=NC(C)=CN1 E1887 [1,1,0,0,0,0|2,0,0]=4 82 B8R1.1 ClCC1=CN=C(Cl)S1 C3368 [1,1,0,0,0,0|2,0,0]=4 83 B8R1.7 CC(=O)C1=CC=CN1 A0582 [1,1,0,0,0,0|1,0,1]=4 84 B8R1.11 CC1=C(CO)NC=N1 M5101 [1,1,0,0,0,0|1,0,0]=3 85 B8R1.11 CN1N=CN=C1CN M7294 [1,1,0,0,0,0|1,0,1]=4 86 B8R1.11 N#CC1=C(N)N=CN1 A4220 [1,1,0,0,0,0|0,0,2]=4 87 B8R1.11 NCC1=C(Br)SC=C1 B8668 [1,1,0,0,0,0|2,0,0]=4 88 B10R1.1 CCCC1=CN=C(Cl)N=C1 C7432 [0,1,0,0,0,1|1,0,1]=4 89 B10R1.1 NCCC1=CC=C(Br)C=C1 B2101 [0,1,0,0,0,1|2,0,0]=4 90 B10R1.1 NCCC1=CC=C(Cl)C=C1 C2522 [0,1,0,0,0,1|2,0,0]=4 91 B10R1.1 NCCC1=CC=C(N)C=C1 A18081 [0,1,0,0,0,1|2,0,0]=4 92 B10R1.1 NCCC1=CC=C(N)C=C1 A18082 [0,1,0,0,0,1|2,0,0]=4 93 B10R1.1 NCCC1=CC=C(O)C=C1 T0145 [0,1,0,0,0,1|2,0,0]=4 94 B10R1.1 NCCC1=CC=C(O)C=C1 T0145 [0,1,0,0,0,1|2,0,0]=4 95 B10R1.4 CC1=NC=CN=C1CCO H13358 [0,1,0,0,0,1|1,0,1]=4 96 B10R1.4 NCCC1=CC=CC=C1N A18075 [0,1,0,0,0,1|2,0,0]=4 97 B10R1.4 NCCC1=CC=CC=C1N A18076 [0,1,0,0,0,1|2,0,0]=4 98 B10R1.4 NCCC1=CC=CC=C1O A15642 [0,1,0,0,0,1|2,0,0]=4 99 B10R1.10 NCCC1=CC(F)=CC=C1 F11687 [0,1,0,0,0,1|2,0,0]=4 100 B10R1.10 NCCC1=CC(F)=CC=C1 F11687 [0,1,0,0,0,1|2,0,0]=4 101 B10R1.10 NCCC1=CC(N)=CC=C1 A18201 [0,1,0,0,0,1|2,0,0]=4 102 B10R1.10 NCCC1=CC=CC(Br)=C1 B18673 [0,1,0,0,0,1|2,0,0]=4 103 B10R1.10 NCCC1=CC=CC(O)=C1 H7973 [0,1,0,0,0,1|2,0,0]=4 104 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 A14785 [0,1,0,0,0,1|2,0,0]=4 105 B10R1.15 NC[C@H](O)C1=CC=CC=C1 A18262 [0,1,0,0,0,1|2,0,0]=4 106 B10R1.17 CCCCC1=CC=CN=C1 B11443 [0,1,0,0,0,1|2,0,0]=4 107 B10R1.17 CNCCC1=CC=CC=C1 M12421 [0,1,0,0,0,1|2,0,0]=4 108 B10R1.17 CNCCC1=CC=NC=C1 M12425 [0,1,0,0,0,1|1,0,0]=3 109 B10R1.17 CNCCC1=NC=CC=C1 B5398 [0,1,0,0,0,1|1,0,1]=4 110 B10R1.17 CNCCC1=NC=CC=C1 B6262 [0,1,0,0,0,1|1,0,1]=4 111 B10R1.17 NCCOC1=CC=CC=C1 P3356 [0,1,0,0,0,1|2,0,0]=4 112 B10R1.18 N=C(N)CC1=CN=CC=C1 P13906 [0,1,0,0,0,1|1,0,1]=4 113 B10R1.21 NCCCCN1C=CN=C1 I12546 [0,2,0,0,0,0|2,0,0]=4 114 B10R1.27 N[C@H](CO)CC1=CNC=N1 H4007 [0,2,0,0,0,0|0,0,2]=4 115 B10R1.66 N=C(N)CCC1=CC=CO1 F16867 [0,2,0,0,0,0|2,0,0]=4 116 B10R1.66 N=C(N)CCN1C=CN=C1 I16877 [0,2,0,0,0,0|2,0,0]=4 117 B8R1.2 NCC1=CC=CN=C1 P2319 [0,0,1,1,0,0|1,0,1]=4 118 B8R1.5 NC1=C(N)N=CC=C1 D5372 [0,0,1,1,0,0|0,0,2]=4 119 B8R1.5 NC1=C(N)N=CC=C1 D5372 [0,0,1,1,0,0|0,0,2]=4 120 B10R2.7 C1=CN=C2CCCC2=C1 C2921 [0,0,0,1,0,1|2,0,0]=4 121 B10R2.7 C1=CN=C2NCCC2=C1 D12529 [0,0,0,1,0,1|1,0,0]=3 122 B10R2.2 SC1CN2C=NC=[N+]2C1 P3059 [0,1,0,1,0,0|2,0,0]=4