0 B9R0.5 CCCC#CC(=O)OCC SBB008805 [0,0,0,0,0,0|0,0,3]=3 1 B9R0.5 CCCCCC(=O)CCC SBB005828 [0,0,0,0,0,0|1,0,2]=3 2 B9R0.5 CCCCCC(=O)OCC SBB060316 [0,0,0,0,0,0|0,0,2]=2 3 B9R0.5 CCCCOC(=O)CCC SBB061107 [0,0,0,0,0,0|2,0,2]=4 4 B9R0.5 CCOC(=O)CCCCBr SBB070781 [0,0,0,0,0,0|1,0,2]=3 5 B9R0.5 CCOC(=O)CCN=C=O SBB046971 [0,0,0,0,0,0|2,0,2]=4 6 B9R0.5 CCO\C=C\C(=O)OCC SBB086340 [0,0,0,0,0,0|1,0,1]=2 7 B8R0.1 CCC#CC(=O)OCC SBB008819 [1,0,0,0,0,0|0,0,2]=3 8 B8R0.1 CCCCC(=O)OCC SBB061113 [1,0,0,0,0,0|0,0,1]=2 9 B8R0.1 CCCOC(=O)CCC SBB061105 [1,0,0,0,0,0|2,0,1]=4 10 B8R0.1 CCOC(=O)CCCBr SBB070757 [1,0,0,0,0,0|1,0,1]=3 11 B8R0.1 CCOC(=O)CCCN SBB003878 [1,0,0,0,0,0|1,0,1]=3 12 B8R0.1 CCOC(=O)CNC=O SBB067158 [1,0,0,0,0,0|2,0,0]=3 13 B8R0.1 CCOC(=O)NCCO SBB079074 [1,0,0,0,0,0|2,0,1]=4 14 B8R0.1 CCOC(=O)\C=C\CBr SBB070755 [1,0,0,0,0,0|1,0,0]=2 15 B8R0.6 CCCC#CC(=O)OC SBB069575 [1,0,0,0,0,0|0,0,3]=4 16 B8R0.6 CCCCCC(=O)CC SBB060388 [1,0,0,0,0,0|0,0,2]=3 17 B8R0.6 CCCCCC(=O)OC SBB060591 [1,0,0,0,0,0|0,0,2]=3 18 B8R0.6 CCCCOC(=O)CC SBB060578 [1,0,0,0,0,0|1,0,2]=4 19 B8R0.6 COC(=O)CCCCBr SBB070759 [1,0,0,0,0,0|1,0,2]=4 20 B10R0.1 CCCCC#CC(=O)OCC SBB008804 [0,1,0,0,0,0|0,0,3]=4 21 B10R0.1 CCCCCCC(=O)OCC SBB061117 [0,1,0,0,0,0|0,0,2]=3 22 B10R0.1 CCCCCOC(=O)CCC SBB060758 [0,1,0,0,0,0|1,0,2]=4 23 B10R0.1 CCOC(=O)CCCCCBr SBB006556 [0,1,0,0,0,0|0,0,2]=3 24 B10R0.2 CCCC(=O)CC(=O)OCC SBB061679 [0,1,0,0,0,0|0,0,1]=2 25 B10R0.2 CCCC(=O)OC(=O)CCC SBB040852 [0,1,0,0,0,0|2,0,1]=4 26 B10R0.2 CCNC(=O)CC(=O)NCC SBB000126 [0,1,0,0,0,0|2,0,0]=3 27 B10R0.2 CCNC(C)CC(=O)OCC SBB046533 [0,1,0,0,0,0|1,0,1]=3 28 B10R0.2 CCOC(=N)CC(=O)OCC SBB002620 [0,1,0,0,0,0|1,0,0]=2 29 B10R0.2 CCOC(=O)CC(=O)OCC SBB040813 [0,1,0,0,0,0|1,0,0]=2 30 B10R0.2 CCOC(=O)NC(=O)OCC SBB008155 [0,1,0,0,0,0|2,0,0]=3 31 B10R0.2 CCOC(=O)\C=C(/C)OCC SBB058446 [0,1,0,0,0,0|1,0,1]=3 32 B10R0.2 CCOC(=O)\C=C(/N)OCC SBB003590 [0,1,0,0,0,0|1,0,1]=3 33 B10R0.19 CCCCC(Br)C(=O)OCC SBB070817 [0,1,0,0,0,0|0,0,2]=3 34 B10R0.19 CCOC(=O)C(N)CCSC SBB000541 [0,1,0,0,0,0|1,0,2]=4 35 B10R0.19 CCOC(=O)[C@@H](N)CCCN SBB070614 [0,1,0,0,0,0|1,0,2]=4 36 B10R0.91 CCCCCC(=O)OCCCl SBB061275 [0,1,0,0,0,0|0,0,2]=3 37 B10R0.108 CCOC(=O)CNC(=O)CCl SBB003757 [0,1,0,0,0,0|2,0,0]=3 38 B10R1.10 CCOC1=CC=CC(C)=C1 SBB060989 [0,0,0,1,0,0|1,0,2]=4 39 B10R1.11 CCOC(=O)C1=CC=CN1 SBB053894 [0,0,0,1,0,0|1,0,2]=4 40 B10R1.11 CCOC(=O)C1=CC=CO1 SBB067087 [0,0,0,1,0,0|1,0,2]=4 41 B10R1.11 CCOC(=O)C1=CC=CS1 SBB058448 [0,0,0,1,0,0|1,0,2]=4 42 B10R1.11 CCOC(=O)C1=CC=NN1 SBB017331 [0,0,0,1,0,0|2,0,1]=4 43 B10R1.11 CCOC(=O)C1=CSC=C1 SBB066578 [0,0,0,1,0,0|1,0,2]=4 44 B10R1.11 CCOC(=O)C1SCCS1 SBB056950 [0,0,0,1,0,0|2,0,1]=4 45 B10R1.78 O=C1CCCCCCCN1 SBB058438 [0,0,0,1,0,0|1,0,2]=4 46 B10R1.137 CCOC(=O)C=C1CCC1 SBB054044 [0,0,0,1,0,0|0,0,2]=3 47 B7R0.1 C\C=C\CCCCC SBB059885 [2,0,0,0,0,0|1,0,1]=4 48 B7R0.3 C=C(CC)CCCC SBB060475 [2,0,0,0,0,0|1,0,1]=4 49 B7R0.3 COC(=O)\C=C\CBr SBB070730 [2,0,0,0,0,0|1,0,0]=3 50 B7R0.7 C=C=CC(=O)OCC SBB054147 [2,0,0,0,0,0|0,0,2]=4 51 B7R0.7 CC#CC(=O)OCC SBB069554 [2,0,0,0,0,0|0,0,2]=4 52 B7R0.7 CCCC(=O)CCC SBB060386 [2,0,0,0,0,0|1,0,0]=3 53 B7R0.7 CCNC(=O)NCC SBB058550 [2,0,0,0,0,0|2,0,0]=4 54 B7R0.7 CCOC(=O)CC#N SBB040821 [2,0,0,0,0,0|1,0,1]=4 55 B7R0.7 CCOC(=O)CCBr SBB070739 [2,0,0,0,0,0|1,0,0]=3 56 B7R0.7 CCOC(=O)CCN SBB004038 [2,0,0,0,0,0|1,0,0]=3 57 B7R0.7 CCOC(=O)CNN SBB021976 [2,0,0,0,0,0|2,0,0]=4 58 B7R0.7 CCOC(=O)CNN SBB054137 [2,0,0,0,0,0|2,0,0]=4 59 B7R0.7 CCOC(=O)OCC SBB060086 [2,0,0,0,0,0|1,0,0]=3 60 B7R0.7 CCOS(=O)OCC SBB060108 [2,0,0,0,0,0|2,0,0]=4 61 B7R0.7 C\C=C\C(=O)OCC SBB061219 [2,0,0,0,0,0|0,0,0]=2 62 B7R0.7 N(C)CC(=O)OCC SBB004039 [2,0,0,0,0,0|1,0,0]=3 63 B7R0.7 P(=O)(OCC)OCC SBB056825 [2,0,0,0,0,0|2,0,0]=4 64 B7R0.4 CCCCCC(=O)O SBB053586 [2,0,0,0,0,0|0,0,2]=4 65 B7R0.4 CCCCCC(C)=O SBB061125 [2,0,0,0,0,0|0,0,2]=4 66 B7R0.4 CCC\C=C\C(=O)O SBB009088 [2,0,0,0,0,0|0,0,2]=4 67 B7R0.4 CCOCCC(=O)O SBB053607 [2,0,0,0,0,0|1,0,1]=4 68 B7R0.4 C\C=C\C=C\C(=O)O SBB060282 [2,0,0,0,0,0|0,0,2]=4 69 B7R0.4 OC(=O)C\C=C/CC SBB006610 [2,0,0,0,0,0|0,0,0]=2 70 B9R0.18 CCCCC(=O)CCCC SBB060073 [1,1,0,0,0,0|1,0,1]=4 71 B9R0.18 CCCCC(=O)OCCC SBB061228 [1,1,0,0,0,0|0,0,1]=3 72 B9R0.34 CCOC(=O)CC(=O)CCl SBB040868 [1,1,0,0,0,0|1,0,0]=3 73 B9R0.34 CCOC(=O)CC(C)NC SBB046551 [1,1,0,0,0,0|1,0,1]=4 74 B9R0.34 CCOC(=O)C[C@H](O)CCl SBB070707 [1,1,0,0,0,0|1,0,1]=4 75 B9R0.34 CCOC(=O)\C=C(\C)NC SBB080741 [1,1,0,0,0,0|1,0,0]=3 76 B9R0.34 N(C(=O)CCl)C(=O)OCC SBB003907 [1,1,0,0,0,0|2,0,0]=4 77 B9R0.35 CCCC(=O)C(O)CCC SBB008396 [1,1,0,0,0,0|1,0,1]=4 78 B9R0.35 CCNC(=O)C(=O)NCC SBB007900 [1,1,0,0,0,0|2,0,0]=4 79 B9R0.35 CCOC(=O)C(=O)OCC SBB040948 [1,1,0,0,0,0|1,0,0]=3 80 B9R0.48 CCCC(=O)CCC(C)=O SBB008161 [1,1,0,0,0,0|1,0,1]=4 81 B9R0.48 CCOC(=O)CNC(C)=O SBB061661 [1,1,0,0,0,0|1,0,0]=3 82 B9R0.48 CCOC(=O)CNC(N)=O SBB086470 [1,1,0,0,0,0|2,0,0]=4 83 B9R0.48 CCOC(=O)\C=C\C(=O)O SBB065780 [1,1,0,0,0,0|1,0,1]=4 84 B9R0.1 COC(=O)\C=C\CC(C)C SBB054119 [1,1,0,0,0,0|0,0,2]=4 85 B9R0.24 COC(=O)CCC(=O)OC SBB040934 [1,1,0,0,0,0|1,0,1]=4 86 B9R0.24 COC(=O)\C=C\C(=O)OC SBB008222 [1,1,0,0,0,0|1,0,1]=4 87 B11R0.4 CCCCCC#CC(=O)OCC SBB008812 [0,2,0,0,0,0|0,0,2]=4 88 B11R0.4 CCCCCCCC(=O)OCC SBB061059 [0,2,0,0,0,0|0,0,2]=4 89 B11R0.4 CCCCNCCC(=O)OCC SBB056920 [0,2,0,0,0,0|0,0,2]=4 90 B11R0.4 CCCCSCCC(=O)OCC SBB001706 [0,2,0,0,0,0|0,0,2]=4 91 B11R0.62 CCOC(=O)C#CC(=O)OCC SBB065773 [0,2,0,0,0,0|0,0,2]=4 92 B11R0.62 CCOC(=O)CCC(=O)OCC SBB040923 [0,2,0,0,0,0|0,0,1]=3 93 B11R0.62 CCOC(=O)CSC(=O)OCC SBB054128 [0,2,0,0,0,0|1,0,0]=3 94 B11R0.62 CCOC(=O)NNC(=O)OCC SBB069555 [0,2,0,0,0,0|2,0,0]=4 95 B11R0.62 CCOC(=O)\C=C/C(=O)OCC SBB060698 [0,2,0,0,0,0|0,0,1]=3 96 B11R0.155 CCOC(=O)C(N)CCCCN SBB058160 [0,2,0,0,0,0|0,0,2]=4 97 B11R0.177 CCOC(=O)C(Br)C(=O)OCC SBB070853 [0,2,0,0,0,0|1,0,0]=3 98 B11R0.177 CCOC(=O)C(F)C(=O)OCC SBB089387 [0,2,0,0,0,0|1,0,0]=3 99 B11R0.177 [NH3+]C(C(=O)OCC)C(=O)OCC SBB061662 [0,2,0,0,0,0|1,0,0]=3 100 B11R0.182 CCOC(=O)\C=C(\CBr)OCC SBB098732 [0,2,0,0,0,0|1,0,1]=4 101 B11R0.43 CCOC(=O)C(=O)CC(=O)CC SBB026562 [0,2,0,0,0,0|0,0,2]=4 102 B11R0.191 CCCCC(C#N)C(=O)OCC SBB069508 [0,2,0,0,0,0|0,0,2]=4 103 B11R0.191 CCCCC(CC)C(=O)OCC SBB061119 [0,2,0,0,0,0|0,0,2]=4 104 B11R0.191 CCO\C=C(\C#N)C(=O)OCC SBB001884 [0,2,0,0,0,0|1,0,1]=4 105 B11R0.46 CCCCCC(=O)OCC(C)C SBB056802 [0,2,0,0,0,0|0,0,2]=4 106 B11R0.140 CCCCCC(=O)OCCCC SBB061115 [0,2,0,0,0,0|0,0,2]=4 107 B11R0.140 C\C=C\C=C\C(=O)OCCCC SBB007991 [0,2,0,0,0,0|0,0,2]=4 108 B9R1.2 CCN1CCCC(=O)C1 SBB056089 [1,0,0,1,0,0|2,0,0]=4 109 B9R1.50 O=C1CCCCCCC1 SBB008888 [1,0,0,1,0,0|1,0,1]=4 110 B9R1.73 CCOC(=O)C1CCC1 SBB059126 [1,0,0,1,0,0|0,0,1]=3 111 B9R1.14 N1C=C(CC)C(CC)=C1 SBB059631 [1,0,0,1,0,0|2,0,0]=4 112 B9R1.1 CCC1CCC(=O)CC1 SBB059272 [1,0,0,1,0,0|0,0,2]=4 113 B9R1.1 CCN1CCC(=O)CC1 SBB061714 [1,0,0,1,0,0|1,0,1]=4 114 B9R1.11 COC(=O)C1CCCC1 SBB071502 [1,0,0,1,0,0|0,0,2]=4 115 B9R1.11 COC(=O)C1CCCN1 SBB046302 [1,0,0,1,0,0|1,0,1]=4 116 B9R1.11 COC(=O)C1CCCN1 SBB054027 [1,0,0,1,0,0|1,0,1]=4 117 B9R1.11 COC(=O)[C@@H]1CCCN1 SBB003904 [1,0,0,1,0,0|1,0,1]=4 118 B11R1.16 CCOC(=O)C1CCCNC1 SBB027354 [0,1,0,1,0,0|0,0,2]=4 119 B11R1.16 CCOC(=O)C1CCNCC1 SBB004006 [0,1,0,1,0,0|0,0,2]=4 120 B11R1.16 CCOC(=O)C1CNCCO1 SBB054017 [0,1,0,1,0,0|1,0,1]=4 121 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 SBB054010 [0,1,0,1,0,0|0,0,2]=4 122 B11R1.16 CCOC(=O)[C@H]1CCCNC1 SBB066252 [0,1,0,1,0,0|0,0,2]=4 123 B11R1.16 N1CCN(C(=O)OCC)CC1 SBB003993 [0,1,0,1,0,0|1,0,1]=4 124 B11R1.30 CCOC(=O)CC1=CSC=N1 SBB018924 [0,1,0,1,0,0|1,0,1]=4 125 B11R1.30 CCOC(=O)CC1=NC=NN1 SBB002526 [0,1,0,1,0,0|2,0,0]=4 126 B11R1.30 CCOC(=O)CN1C=CC=N1 SBB087005 [0,1,0,1,0,0|1,0,1]=4 127 B11R1.30 CCOC(=O)CN1CCCC1 SBB111745 [0,1,0,1,0,0|0,0,2]=4 128 B11R1.199 CCOC(=O)C1=CC=NN1C SBB025013 [0,1,0,1,0,0|1,0,1]=4 129 B11R1.199 CCOC(=O)C1=NC=CN1C SBB013235 [0,1,0,1,0,0|1,0,1]=4 130 B11R1.199 CCOC(=O)C1CCCC1=O SBB048123 [0,1,0,1,0,0|0,0,1]=3 131 B11R1.334 CCOC(=O)CC(=O)C1CC1 SBB025114 [0,1,0,1,0,0|0,0,1]=3 132 B11R1.15 CCOC(=O)C1=NN(C)C=C1 SBB030498 [0,1,0,1,0,0|1,0,1]=4 133 B11R1.15 CCOC(=O)C1CC(O)CN1 SBB010410 [0,1,0,1,0,0|1,0,1]=4 134 B11R1.15 N1C(=O)CC[C@@H]1C(=O)OCC SBB017510 [0,1,0,1,0,0|1,0,0]=3 135 B11R1.15 N1C(=O)CC[C@H]1C(=O)OCC SBB017516 [0,1,0,1,0,0|1,0,0]=3 136 B11R1.819 CCOC(=O)C1(N)CCCC1 SBB116027 [0,1,0,1,0,0|0,0,2]=4