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 N#CCC1=CC=CS1 T5379 [0,0,0,0,0,0|2,1,0]=3 3 B8R1.8 N#CCC1=CSC=C1 T2219 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.8 N#CCC1=NNC=C1 P17143 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.8 NCCC1=CC=CS1 T0651 [0,0,0,0,0,0|2,1,0]=3 6 B8R1.8 NCCC1=CNC=N1 H2293 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.8 NCCC1=CNC=N1 H2389 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.8 NCCC1=CSC=C1 A18159 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.8 OCCC1=CC=CS1 T0443 [0,0,0,0,0,0|2,1,0]=3 10 B8R1.8 OCCC1=CNC=N1 I11788 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.8 OCCC1=CNC=N1 I11788 [0,0,0,0,0,0|4,0,0]=4 12 B7R1.1 BrCC1=CSC=C1 B8083 [1,0,0,0,0,0|3,0,0]=4 13 B7R1.1 BrCC1=CSC=C1 B8083 [1,0,0,0,0,0|3,0,0]=4 14 B7R1.1 CCC1=NC=CN1 E1455 [1,0,0,0,0,0|2,0,0]=3 15 B7R1.1 ClCC1=CSC=N1 C14673 [1,0,0,0,0,0|3,0,0]=4 16 B7R1.1 ClCC1=CSC=N1 C14673 [1,0,0,0,0,0|3,0,0]=4 17 B7R1.1 N#CC1=CC=CS1 T2218 [1,0,0,0,0,0|1,1,1]=4 18 B7R1.1 NCC1=CC=CO1 F2158 [1,0,0,0,0,0|1,0,0]=2 19 B7R1.1 NCC1=CC=CS1 T3333 [1,0,0,0,0,0|1,1,0]=3 20 B7R1.1 NCC1=NC=CN1 I17075 [1,0,0,0,0,0|3,0,0]=4 21 B7R1.1 NCC1=NC=CS1 A16694 [1,0,0,0,0,0|2,1,0]=4 22 B7R1.1 NCC1=NNC=C1 P17146 [1,0,0,0,0,0|3,0,0]=4 23 B7R1.1 O=CC1=CC=CN1 P4103 [1,0,0,0,0,0|1,1,1]=4 24 B7R1.1 O=CC1=CC=CN1 P4103 [1,0,0,0,0,0|1,1,1]=4 25 B7R1.1 O=CC1=CC=CS1 T1387 [1,0,0,0,0,0|0,2,1]=4 26 B7R1.1 OCC1=CN=CS1 H15363 [1,0,0,0,0,0|1,2,0]=4 27 B7R1.1 OCC1=CNC=N1 H11787 [1,0,0,0,0,0|2,1,0]=4 28 B7R1.1 OCC1=CNC=N1 H4012 [1,0,0,0,0,0|2,1,0]=4 29 B7R1.1 OCC1=NC=CN1 I14917 [1,0,0,0,0,0|2,1,0]=4 30 B7R1.1 OCC1=NNC=C1 P17144 [1,0,0,0,0,0|2,1,0]=4 31 B7R1.1 OCC1=NNC=C1 P17144 [1,0,0,0,0,0|2,1,0]=4 32 B9R1.7 CCCC1=NC(C)=CN1 M17091 [0,1,0,0,0,0|3,0,0]=4 33 B9R1.7 CNCC1=NN(C)C=C1 M12463 [0,1,0,0,0,0|3,0,0]=4 34 B9R1.11 CCC(=O)C1=CC=CS1 T3339 [0,1,0,0,0,0|1,1,1]=4 35 B9R1.11 N\C(=N\O)C1=CC=CO1 H13971 [0,1,0,0,0,0|2,0,1]=4 36 B9R1.13 CC(C)CC1=NC=CS1 I5359 [0,1,0,0,0,0|2,1,0]=4 37 B9R1.13 N=C(N)CC1=CC=CS1 T13938 [0,1,0,0,0,0|2,1,0]=4 38 B9R1.13 O=C(Cl)CC1=CC=CS1 T0852 [0,1,0,0,0,0|2,1,0]=4 39 B9R1.13 O=C(O)CC1=CC=CS1 T0647 [0,1,0,0,0,0|2,1,0]=4 40 B9R1.33 CCOC1=C(C)N=CO1 M6716 [0,1,0,0,0,0|3,0,0]=4 41 B9R1.33 CN1C=CC=C1CC#N M0836 [0,1,0,0,0,0|3,0,0]=4 42 B9R1.33 CNCC1=CN=CN1C M16355 [0,1,0,0,0,0|3,0,0]=4 43 B9R1.8 BrCCC1=CC=CC=C1 B1499 [0,0,0,0,0,1|3,0,0]=4 44 B9R1.8 BrCCC1=NC=CC=C1 B18468 [0,0,0,0,0,1|3,0,0]=4 45 B9R1.8 CCC[N+]1=CC=CC=C1 P9114 [0,0,0,0,0,1|3,0,0]=4 46 B9R1.8 CNCC1=CC=CC=C1 C12471 [0,0,0,0,0,1|2,0,0]=3 47 B9R1.8 CNCC1=CN=CC=C1 M13405 [0,0,0,0,0,1|2,0,0]=3 48 B9R1.8 C\N=C/C1=CC=CC=C1 B11532 [0,0,0,0,0,1|2,0,1]=4 49 B9R1.8 NCCC1=CC=CC=C1 P18797 [0,0,0,0,0,1|3,0,0]=4 50 B9R1.8 NCCC1=CC=CC=C1 P19425 [0,0,0,0,0,1|3,0,0]=4 51 B9R1.8 NCCC1=CC=CC=N1 P3233 [0,0,0,0,0,1|3,0,0]=4 52 B9R1.8 NCCC1=CC=CN=C1 A18111 [0,0,0,0,0,1|3,0,0]=4 53 B9R1.8 NCCC1=CC=NC=C1 A18195 [0,0,0,0,0,1|3,0,0]=4 54 B9R1.8 NCCC1=CN=CC=C1 A12910 [0,0,0,0,0,1|3,0,0]=4 55 B9R1.8 NNCC1=CC=CC=C1 B8798 [0,0,0,0,0,1|3,0,0]=4 56 B9R1.8 NOCC1=CC=CC=C1 B7490 [0,0,0,0,0,1|2,1,0]=4 57 B9R1.8 NOCC1=CC=CC=C1 B7490 [0,0,0,0,0,1|2,1,0]=4 58 B9R1.8 OCCC1=NC=CC=C1 P0121 [0,0,0,0,0,1|3,0,0]=4 59 B9R1.8 OCCC1=NC=CN=C1 H13361 [0,0,0,0,0,1|3,0,0]=4 60 B6R0.1 C=CC(=O)CCC H17062 [1,0,1,0,0,0|1,0,1]=4 61 B6R1.2 BrC1=CC=CS1 B7561 [2,0,0,0,0,0|1,1,0]=4 62 B6R1.2 CC1=CNC=N1 M0110 [2,0,0,0,0,0|2,0,0]=4 63 B6R1.2 CC1=NC=CN1 M18847 [2,0,0,0,0,0|2,0,0]=4 64 B6R1.2 CC1=NC=CS1 M17737 [2,0,0,0,0,0|1,1,0]=4 65 B6R1.2 IC1=CC=CS1 I3940 [2,0,0,0,0,0|1,1,0]=4 66 B8R1.1 CCC1=NC(C)=CN1 E1457 [1,1,0,0,0,0|2,0,0]=4 67 B8R1.1 CCC1=NC(C)=CN1 E1887 [1,1,0,0,0,0|2,0,0]=4 68 B8R1.1 CCC1=NC(C)=CS1 E0630 [1,1,0,0,0,0|1,1,0]=4 69 B8R1.1 CCC1=NNC(N)=C1 E16726 [1,1,0,0,0,0|2,0,0]=4 70 B8R1.1 ClCC1=CC=C(Cl)S1 C17659 [1,1,0,0,0,0|1,1,0]=4 71 B8R1.1 O=C1C=C[C@H](CO)O1 H15822 [1,1,0,0,0,0|0,1,1]=4 72 B8R1.1 O=CC1=CC(Br)=CO1 B8008 [1,1,0,0,0,0|0,1,1]=4 73 B8R1.1 O=CC1=CC=C(Br)O1 B8007 [1,1,0,0,0,0|0,1,1]=4 74 B8R1.1 O=CC1=CC=C(I)O1 I9961 [1,1,0,0,0,0|0,1,1]=4 75 B8R1.7 CC(=O)C1=CC=CN1 A0582 [1,1,0,0,0,0|1,0,1]=4 76 B8R1.7 CC(=O)C1=CC=CO1 A1473 [1,1,0,0,0,0|0,0,1]=3 77 B8R1.7 CC(=O)C1=CC=CS1 A0583 [1,1,0,0,0,0|0,1,1]=4 78 B8R1.7 N=C(N)C1=CC=CO1 F13113 [1,1,0,0,0,0|1,0,1]=4 79 B8R1.7 OB(O)C1=CC=CO1 F4005 [1,1,0,0,0,0|1,1,0]=4 80 B8R1.11 CSC1=C(C)OC=C1 M6703 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.1 CNCC1=CC=C(F)C=C1 F17963 [0,1,0,0,0,1|2,0,0]=4 82 B10R1.10 CCCC1=CC=CC(N)=N1 P17223 [0,1,0,0,0,1|2,0,0]=4 83 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 E6698 [0,1,0,0,0,1|2,0,0]=4 84 B10R1.15 CC[C@H](N)C1=CC=CC=C1 E6699 [0,1,0,0,0,1|2,0,0]=4 85 B10R1.17 CCCCC1=CC=CN=C1 B11443 [0,1,0,0,0,1|2,0,0]=4 86 B10R1.17 CCCCC1=NC=CC=C1 B11448 [0,1,0,0,0,1|2,0,0]=4 87 B10R1.17 CNCCC1=CC=CC=C1 M12421 [0,1,0,0,0,1|2,0,0]=4 88 B10R1.17 CNCCC1=CC=NC=C1 M12425 [0,1,0,0,0,1|2,0,0]=4 89 B10R1.17 CNCCC1=NC=CC=C1 B5398 [0,1,0,0,0,1|2,0,0]=4 90 B10R1.17 CNCCC1=NC=CC=C1 B6262 [0,1,0,0,0,1|2,0,0]=4 91 B10R1.17 ClCOCC1=CC=CC=C1 B7431 [0,1,0,0,0,1|1,1,0]=4 92 B10R1.18 CN(C)CC1=CC=CC=C1 D18840 [0,1,0,0,0,1|2,0,0]=4 93 B10R1.11 CCCC(=O)C1=CC=CS1 T16407 [0,2,0,0,0,0|1,1,0]=4 94 B10R1.149 COC(=O)C1=C(C)C=CO1 M4783 [0,2,0,0,0,0|0,1,1]=4 95 B10R1.66 N=C(N)CCC1=CC=CO1 F16867 [0,2,0,0,0,0|1,0,1]=4 96 B10R1.281 C[Si](C)(C)CC1=CC=CS1 T16682 [0,2,0,0,0,0|1,1,0]=4 97 B10R1.281 C[Si](C)(C)OC1=CC=CO1 T11414 [0,2,0,0,0,0|2,0,0]=4 98 B8R1.5 CC1=NC=CC=C1O H6683 [0,0,1,1,0,0|2,0,0]=4 99 B8R1.4 CC1=CC=CC(O)=N1 H2705 [0,0,1,1,0,0|2,0,0]=4 100 B8R1.4 CC1=CC=CC(O)=N1 H2705 [0,0,1,1,0,0|2,0,0]=4 101 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 P4799 [0,0,0,1,0,1|1,1,0]=4 102 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 P4800 [0,0,0,1,0,1|1,1,0]=4 103 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 P4800 [0,0,0,1,0,1|1,1,0]=4 104 B10R2.7 C1=CN=C2CCCC2=C1 C2921 [0,0,0,1,0,1|2,0,0]=4