0 B8R1.51 CC1(O)CCC(N)C1 MC104923 [0,0,0,0,0,0|4,0,0]=4 1 B7R1.2 CC1=NC(C)CO1 MC428186 [1,0,0,0,0,0|1,0,1]=3 2 B7R1.2 CC1CCC(C)N1 MC102818 [1,0,0,0,0,0|2,0,0]=3 3 B7R1.2 CC1COC(=O)N1 CS14300 [1,0,0,0,0,0|2,0,1]=4 4 B7R1.2 CC1COC(=O)O1 MC428298 [1,0,0,0,0,0|1,0,1]=3 5 B7R1.14 CC1(C)NCCS1 CS22651 [1,0,0,0,0,0|1,1,0]=3 6 B7R1.14 CC1(O)CCCC1 CS20768 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.133 CC1(C)OCC(CCl)O1 MC20698 [0,1,0,0,0,0|0,0,0]=1 8 B9R1.133 CC1(C)OCC(CI)O1 CS20979 [0,1,0,0,0,0|0,0,0]=1 9 B7R0.2 CC(C)CC(N)CO CS14853 [0,0,1,0,0,0|2,0,0]=3 10 B7R0.2 CC(C)CC(N)CO CS19307 [0,0,1,0,0,0|2,0,0]=3 11 B7R0.2 CC(C)OC(=O)CO CS11522 [0,0,1,0,0,0|1,0,1]=3 12 B7R0.2 CN(C)CC(O)CO CS15349 [0,0,1,0,0,0|3,0,0]=4 13 B7R0.6 CC(C)CCC(C)N MC446673 [0,0,1,0,0,0|2,0,0]=3 14 B7R0.9 CC(C)OS(C)(=O)=O MC445527 [0,0,1,0,0,0|2,0,1]=4 15 B7R0.9 CC(O)CC(C)(C)O MC428277 [0,0,1,0,0,0|2,0,0]=3 16 B7R0.9 CN(C)CC(C)(C)O MC41894 [0,0,1,0,0,0|2,0,0]=3 17 B7R1.16 CC1(C)CC(Br)C1 MC115986 [0,0,0,0,1,0|2,0,0]=3 18 B7R1.16 CC1(N)CC(O)C1 MC103486 [0,0,0,0,1,0|3,0,0]=4 19 B7R1.16 CC1(N)CC(O)C1 MC103487 [0,0,0,0,1,0|3,0,0]=4 20 B7R1.16 CC1(O)CC(N)C1 MC103384 [0,0,0,0,1,0|3,0,0]=4 21 B9R1.10 CC1(C)CCC(O)CC1 CS22482 [0,0,0,0,0,1|3,0,0]=4 22 B9R1.10 CC1(C)OCC(=O)CO1 MC425473 [0,0,0,0,0,1|1,0,1]=3 23 B9R1.66 CC1(C)CC(=O)CCO1 CS17870 [0,0,0,0,0,1|2,0,1]=4 24 B9R1.66 CC1(C)CC(N)CCO1 MC115908 [0,0,0,0,0,1|2,0,0]=3 25 B6R0.1 CCCC(C)CBr MC112368 [1,0,1,0,0,0|2,0,0]=4 26 B6R0.1 CCCC(O)CO CS20495 [1,0,1,0,0,0|2,0,0]=4 27 B6R0.1 CCOC(=O)CO CS11386 [1,0,1,0,0,0|1,0,1]=4 28 B6R0.2 CC(C)PC(C)C MC444830 [1,0,1,0,0,0|1,0,0]=3 29 B6R0.4 CC(C)CCCO MC428025 [1,0,1,0,0,0|1,0,0]=3 30 B6R0.4 CC(C)NCCN MC20461 [1,0,1,0,0,0|2,0,0]=4 31 B6R0.5 CC(C)(C)CCO CS21905 [1,0,1,0,0,0|2,0,0]=4 32 B6R0.5 CC(C)(F)CCN MC116087 [1,0,1,0,0,0|2,0,0]=4 33 B6R0.5 CC(C)(O)CCBr CS15788 [1,0,1,0,0,0|1,0,0]=3 34 B6R0.5 CC(C)(O)CON MC427561 [1,0,1,0,0,0|2,0,0]=4 35 B6R1.2 BrC1CCOC1 CS14643 [2,0,0,0,0,0|2,0,0]=4 36 B6R1.2 CC1CCCN1 CS18299 [2,0,0,0,0,0|2,0,0]=4 37 B6R1.2 CC1CCCN1 CS18800 [2,0,0,0,0,0|2,0,0]=4 38 B6R1.2 CC1CCCN1 CS19735 [2,0,0,0,0,0|2,0,0]=4 39 B6R1.2 CC1CCCN1 CS21699 [2,0,0,0,0,0|2,0,0]=4 40 B6R1.2 CC1CCCN1 CS21700 [2,0,0,0,0,0|2,0,0]=4 41 B6R1.2 CC1CCCN1 MC428345 [2,0,0,0,0,0|2,0,0]=4 42 B6R1.2 CC1CCCO1 MC20580 [2,0,0,0,0,0|1,0,0]=3 43 B6R1.2 IC1CCOC1 MC101926 [2,0,0,0,0,0|2,0,0]=4 44 B6R1.2 NC1CCOC1 CS12010 [2,0,0,0,0,0|2,0,0]=4 45 B6R1.2 NC1CCOC1 CS13003 [2,0,0,0,0,0|2,0,0]=4 46 B6R1.2 NC1CCOC1 CS20366 [2,0,0,0,0,0|2,0,0]=4 47 B6R1.2 NC1CCOC1 MC443324 [2,0,0,0,0,0|2,0,0]=4 48 B6R1.2 NC1CCOC1 MC444237 [2,0,0,0,0,0|2,0,0]=4 49 B6R1.2 O=C1OCCO1 CS20012 [2,0,0,0,0,0|1,0,1]=4 50 B6R1.2 OC1CCOC1 CS20284 [2,0,0,0,0,0|2,0,0]=4 51 B6R1.2 OC1CCOC1 MC42235 [2,0,0,0,0,0|2,0,0]=4 52 B6R1.2 OC1CCOC1 MC444279 [2,0,0,0,0,0|2,0,0]=4 53 B8R0.19 CC(CO)NC(C)CO CS17166 [0,1,1,0,0,0|1,0,0]=3 54 B8R0.24 CC(C)(C)OC(=O)CO CS21767 [0,1,1,0,0,0|1,0,1]=4 55 B8R0.9 CC(C)NCC(O)CO MC437813 [0,1,1,0,0,0|1,0,0]=3 56 B8R0.9 CC(C)NCC(O)CO MC437814 [0,1,1,0,0,0|1,0,0]=3 57 B8R0.9 CC(C)NCC(O)CO MC445487 [0,1,1,0,0,0|1,0,0]=3 58 B8R0.33 CC(C)(C)PC(C)(C)C MC440388 [0,1,1,0,0,0|2,0,0]=4 59 B8R1.18 CC1CC(S)C(C)O1 MC115503 [1,1,0,0,0,0|1,0,0]=3 60 B8R1.53 CC1(C)CC(CBr)C1 MC104311 [0,1,0,0,1,0|1,0,0]=3 61 B8R1.53 CC1(C)CC(CBr)O1 MC115755 [0,1,0,0,1,0|0,0,0]=2 62 B8R1.53 CC1(C)CC(CI)O1 MC102911 [0,1,0,0,1,0|0,0,0]=2 63 B8R1.53 CC1(C)CC(CN)C1 MC104310 [0,1,0,0,1,0|1,0,0]=3 64 B8R1.53 CC1(C)CC(CN)O1 MC115768 [0,1,0,0,1,0|0,0,0]=2 65 B8R1.53 CC1(C)CC(CO)O1 MC115663 [0,1,0,0,1,0|0,0,0]=2 66 B8R1.53 CC1(O)CC(CN)C1 MC103743 [0,1,0,0,1,0|2,0,0]=4 67 B8R1.53 CC1(O)CC(CN)C1 MC104882 [0,1,0,0,1,0|2,0,0]=4 68 B10R1.26 CC1(C)OCC(CO)CO1 CS13161 [0,1,0,0,0,1|0,0,0]=2 69 B10R1.297 CC1(C)CNC(C)(C)CN1 CS15609 [0,1,0,0,0,1|2,0,0]=4 70 B10R1.307 CC1(C)CCCC(C)(C)N1 CS19320 [0,1,0,0,0,1|2,0,0]=4 71 B10R1.329 CC1(C)OC(=O)CC(=O)O1 MC20692 [0,1,0,0,0,1|1,0,1]=4 72 B10R1.560 CC1(C)CC(=O)C(C)(C)C1 MC104331 [0,2,0,0,0,0|2,0,0]=4 73 B10R1.560 CC1(C)CC(N)C(C)(C)C1 MC104330 [0,2,0,0,0,0|2,0,0]=4 74 B8R1.4 CC1CNCC(C)C1 CS14191 [0,0,1,1,0,0|2,0,0]=4 75 B8R1.4 CC1CNCC(C)N1 CS18625 [0,0,1,1,0,0|2,0,0]=4 76 B8R1.4 CC1CNCC(C)N1 CS21187 [0,0,1,1,0,0|2,0,0]=4 77 B8R1.4 CC1CNCC(C)N1 MC103637 [0,0,1,1,0,0|2,0,0]=4 78 B8R1.4 CC1CNCC(C)N1 MC104476 [0,0,1,1,0,0|2,0,0]=4 79 B8R1.4 CC1CNCC(C)N1 MC444588 [0,0,1,1,0,0|2,0,0]=4 80 B8R1.4 CC1CNCC(C)O1 MC121304 [0,0,1,1,0,0|1,0,0]=3 81 B8R1.4 CC1CNCC(C)O1 MC428243 [0,0,1,1,0,0|1,0,0]=3 82 B8R1.4 CC1CNCC(C)O1 MC444593 [0,0,1,1,0,0|1,0,0]=3 83 B8R1.4 CC1COCC(C)N1 MC103641 [0,0,1,1,0,0|1,0,0]=3 84 B8R1.4 CC1COCC(C)N1 MC104538 [0,0,1,1,0,0|1,0,0]=3 85 B8R1.4 CC1COCC(C)N1 MC105667 [0,0,1,1,0,0|1,0,0]=3 86 B8R1.4 CC1COCC(C)N1 MC105668 [0,0,1,1,0,0|1,0,0]=3 87 B8R1.4 CC1COCC(C)N1 MC113396 [0,0,1,1,0,0|1,0,0]=3 88 B8R1.34 CC(C)OC1CNC1 MC10552 [0,0,1,1,0,0|1,0,0]=3 89 B8R1.34 CC(C)OC1CNC1 MC10553 [0,0,1,1,0,0|1,0,0]=3 90 B8R1.3 CC1CNC(C)CN1 CS14078 [0,0,1,1,0,0|2,0,0]=4 91 B8R1.3 CC1CNC(C)CN1 MC103638 [0,0,1,1,0,0|2,0,0]=4 92 B8R1.3 CC1COC(C)CN1 MC107001 [0,0,1,1,0,0|1,0,0]=3 93 B8R1.3 CC1COC(C)CN1 MC107002 [0,0,1,1,0,0|1,0,0]=3 94 B8R1.3 CN1CCC(O)CC1 CS13491 [0,0,1,1,0,0|2,0,0]=4 95 B8R1.3 NC1CCC(O)CC1 CS12038 [0,0,1,1,0,0|2,0,0]=4 96 B8R1.3 NC1CCC(O)CC1 CS15381 [0,0,1,1,0,0|2,0,0]=4 97 B8R1.3 NC1CCC(O)CC1 CS18581 [0,0,1,1,0,0|2,0,0]=4 98 B8R1.3 NC1CCC(O)CC1 CS18592 [0,0,1,1,0,0|2,0,0]=4 99 B8R1.3 OC1CCC(O)CC1 CS20531 [0,0,1,1,0,0|2,0,0]=4 100 B8R1.3 OC1CCC(O)CC1 MC103601 [0,0,1,1,0,0|2,0,0]=4 101 B8R1.3 OC1COC(O)CO1 MC440451 [0,0,1,1,0,0|2,0,0]=4 102 B8R1.23 CC(C)N1CC(O)C1 MC444113 [0,0,1,1,0,0|1,0,0]=3 103 B8R1.55 CC(C)(O)C1CNC1 MC425148 [0,0,1,1,0,0|2,0,0]=4 104 B8R1.72 CC1(C)CNCCO1 MC100077 [0,0,1,1,0,0|2,0,0]=4 105 B8R1.72 CC1(O)CCCNC1 MC444294 [0,0,1,1,0,0|2,0,0]=4 106 B8R1.72 CC1(O)CCNCC1 MC443374 [0,0,1,1,0,0|2,0,0]=4 107 B8R1.72 CC1(O)CCOCC1 CS12641 [0,0,1,1,0,0|2,0,0]=4 108 B8R2.34 C1CC2CCC1N2 CS10780 [1,0,0,1,0,0|2,0,0]=4 109 B8R2.34 C1CC2CCC1N2 MC113036 [1,0,0,1,0,0|2,0,0]=4 110 B8R2.34 C1OC2CNC1C2 CS12565 [1,0,0,1,0,0|2,0,0]=4 111 B8R2.34 C1OC2CNC1C2 MC102221 [1,0,0,1,0,0|2,0,0]=4 112 B8R2.34 C1OC2CNC1C2 MC103903 [1,0,0,1,0,0|2,0,0]=4 113 B8R2.34 C1OC2CNC1C2 MC105588 [1,0,0,1,0,0|2,0,0]=4 114 B8R2.34 C1OC2CNC1C2 MC31167 [1,0,0,1,0,0|2,0,0]=4 115 B8R2.34 C1OC2CNC1C2 MC444007 [1,0,0,1,0,0|2,0,0]=4 116 B8R2.55 C1CNC2(C1)CC2 MC103449 [1,0,0,1,0,0|2,0,0]=4 117 B6R0.3 CC(C)C(C)CO MC113312 [0,0,1,0,1,0|0,0,0]=2 118 B6R0.3 CC(C)C(N)CO CS17224 [0,0,1,0,1,0|1,0,0]=3 119 B6R0.3 CC(C)C(N)CO CS22659 [0,0,1,0,1,0|1,0,0]=3 120 B6R0.3 CC(O)C(N)CO MC438221 [0,0,1,0,1,0|2,0,0]=4 121 B6R1.4 CC1COC1=O MC121237 [1,0,0,0,1,0|1,0,1]=4 122 B6R1.5 CC1CC(N)C1 MC105778 [1,0,0,0,1,0|2,0,0]=4 123 B8R0.28 CC(C)CCCC(C)N MC446672 [0,0,1,0,0,1|2,0,0]=4