0 B8R0.7 CCNCCCN(C)C MC103675 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.1 BrCCCCCCBr CS20550 [1,0,0,0,0,0|2,0,1]=4 2 B7R0.1 C#CCCCCCO CS10705 [1,0,0,0,0,0|2,0,1]=4 3 B7R0.1 C=CCCCCCBr CS19607 [1,0,0,0,0,0|2,0,0]=3 4 B7R0.1 COCOCCC=O MC445436 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.1 N#CCCCCCBr MC41862 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.1 OCCCCCCBr CS14335 [1,0,0,0,0,0|1,0,2]=4 7 B7R0.1 [N-]=[N+]=NCCCC=O MC121280 [1,0,0,0,0,0|3,0,0]=4 8 B7R0.4 CC(=O)CCCCBr CS10627 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.4 CC(O)CCCCO MC112436 [1,0,0,0,0,0|1,0,1]=3 10 B7R0.4 CCCCCC(C)O CS21570 [1,0,0,0,0,0|1,0,1]=3 11 B7R0.4 CN(C)CCCCO CS22813 [1,0,0,0,0,0|1,0,1]=3 12 B7R0.4 COCCCC(C)N MC112163 [1,0,0,0,0,0|2,0,1]=4 13 B9R0.55 O=C(Cl)CCCCC(=O)Cl MC40434 [0,1,0,0,0,0|2,0,1]=4 14 B9R1.2 CC1CCCC(CO)N1 MC104326 [0,0,0,1,0,0|1,0,2]=4 15 B9R1.2 CN1CCCC(CN)C1 CS18007 [0,0,0,1,0,0|2,0,1]=4 16 B9R1.2 CN1CCCC(CN)C1 MC103935 [0,0,0,1,0,0|2,0,1]=4 17 B9R1.2 CN1CCCC(CO)C1 MC425692 [0,0,0,1,0,0|1,0,2]=4 18 B9R1.6 CC(=O)C1C=CCCC1 MC430670 [0,0,0,1,0,0|2,0,1]=4 19 B9R1.6 CC(C)C1CNCCO1 CS16451 [0,0,0,1,0,0|1,0,2]=4 20 B9R1.6 CC(C)C1CNCCO1 MC444036 [0,0,0,1,0,0|1,0,2]=4 21 B9R1.6 CC(C)C1CNCCO1 MC444059 [0,0,0,1,0,0|1,0,2]=4 22 B9R1.6 CC(C)C1COCCN1 MC20926 [0,0,0,1,0,0|2,0,1]=4 23 B9R1.6 CC(C)C1COCCN1 MC444041 [0,0,0,1,0,0|2,0,1]=4 24 B9R1.6 CC(C)C1COCCN1 MC444063 [0,0,0,1,0,0|2,0,1]=4 25 B9R1.6 CC(C)C1COCCN1 MC444288 [0,0,0,1,0,0|2,0,1]=4 26 B9R1.7 CN1CCC(CCO)C1 MC102377 [0,0,0,1,0,0|1,0,2]=4 27 B9R1.13 CN(C)CC1CCCN1 MC100101 [0,0,0,1,0,0|2,0,1]=4 28 B9R1.13 CN(C)CC1CCCN1 MC105476 [0,0,0,1,0,0|2,0,1]=4 29 B9R1.40 CC1(C)CCCOC1=O MC112082 [0,0,0,1,0,0|1,0,0]=2 30 B9R1.40 CC1(C)CNCCC1O CS12106 [0,0,0,1,0,0|1,0,2]=4 31 B9R1.40 CC1(C)COCCC1=O CS16380 [0,0,0,1,0,0|1,0,0]=2 32 B9R1.40 O=C1NCCCC1(Br)Br CS18534 [0,0,0,1,0,0|3,0,0]=4 33 B9R1.41 O=C(Cl)C1CCCC1=O MC106033 [0,0,0,1,0,0|2,0,1]=4 34 B9R1.48 O=C1CCCCC(=O)C1 CS20375 [0,0,0,1,0,0|1,0,1]=3 35 B9R1.48 O=C1CCCNC(=O)C1 MC428135 [0,0,0,1,0,0|2,0,1]=4 36 B6R0.6 BrCCCCCBr MC41886 [2,0,0,0,0,0|2,0,0]=4 37 B6R0.6 C=CCCCCCl MC427568 [2,0,0,0,0,0|1,0,1]=4 38 B6R0.6 C=CCCCCN MC111853 [2,0,0,0,0,0|1,0,1]=4 39 B6R0.6 C=CCCCCO CS10397 [2,0,0,0,0,0|1,0,1]=4 40 B6R0.6 CCCOCCCl MC428009 [2,0,0,0,0,0|2,0,0]=4 41 B6R0.6 COCCCC=O MC111975 [2,0,0,0,0,0|1,0,0]=3 42 B6R0.6 COCCCCBr CS22933 [2,0,0,0,0,0|2,0,0]=4 43 B6R0.6 COCCCCCl MC428014 [2,0,0,0,0,0|2,0,0]=4 44 B6R0.6 FCCCCCBr CS14708 [2,0,0,0,0,0|2,0,0]=4 45 B6R0.6 NCCCCCN CS19074 [2,0,0,0,0,0|2,0,0]=4 46 B6R0.6 OCCCCCCl CS14778 [2,0,0,0,0,0|1,0,1]=4 47 B6R0.6 OCCCCCO CS20549 [2,0,0,0,0,0|1,0,1]=4 48 B6R0.4 CC(C)CCC=O MC428026 [2,0,0,0,0,0|0,0,0]=2 49 B6R0.4 CC(C)CCCO MC428025 [2,0,0,0,0,0|0,0,1]=3 50 B6R0.4 CC(C)NCCN MC20461 [2,0,0,0,0,0|2,0,0]=4 51 B6R0.4 CN(C)CCCBr CS22184 [2,0,0,0,0,0|2,0,0]=4 52 B6R0.4 CN(C)CCCCl CS13505 [2,0,0,0,0,0|2,0,0]=4 53 B6R0.4 CN(C)CCCCl CS14943 [2,0,0,0,0,0|2,0,0]=4 54 B6R0.4 CNCCN(C)C CS11723 [2,0,0,0,0,0|2,0,0]=4 55 B6R0.4 CNCCN(C)C CS15131 [2,0,0,0,0,0|2,0,0]=4 56 B8R0.1 CCCC(C)CCCO MC112367 [1,1,0,0,0,0|0,0,2]=4 57 B8R0.4 C#CCCCCCCO CS10833 [1,1,0,0,0,0|1,0,1]=4 58 B8R0.4 CCCCCOCCO MC437002 [1,1,0,0,0,0|0,0,2]=4 59 B8R0.4 CCCCNCCCC CS11229 [1,1,0,0,0,0|1,0,1]=4 60 B8R0.4 OCCCCCCCBr CS13415 [1,1,0,0,0,0|0,0,2]=4 61 B8R0.6 CCCCCC(O)CCl MC114490 [1,1,0,0,0,0|1,0,1]=4 62 B8R0.9 CC(C)NCC(O)CO MC437813 [1,1,0,0,0,0|1,0,1]=4 63 B8R0.9 CC(C)NCC(O)CO MC437814 [1,1,0,0,0,0|1,0,1]=4 64 B8R0.9 CC(C)NCC(O)CO MC445487 [1,1,0,0,0,0|1,0,1]=4 65 B8R0.28 CC(C)CCCC(C)N MC446672 [1,1,0,0,0,0|0,0,1]=3 66 B8R0.28 CN(C)CCCC(=O)O CS18615 [1,1,0,0,0,0|1,0,0]=3 67 B10R0.4 CCCCCCCCC(C)C CS21688 [0,2,0,0,0,0|1,0,1]=4 68 B10R0.55 COC(=O)CCCCC(=O)O CS19614 [0,2,0,0,0,0|1,0,1]=4 69 B10R0.1 CCCCCCC(C)CCBr MC112334 [0,2,0,0,0,0|1,0,1]=4 70 B10R0.1 CCCCCCC(C)CCO MC112333 [0,2,0,0,0,0|1,0,1]=4 71 B8R1.2 BrCC1CCCCC1 CS19887 [1,0,0,1,0,0|1,0,1]=4 72 B8R1.2 Br[Zn]C1CCCCC1 MC121343 [1,0,0,1,0,0|2,0,0]=4 73 B8R1.2 NCC1CCCCC1 MC20908 [1,0,0,1,0,0|1,0,1]=4 74 B8R1.2 NNC1CCCCC1 MC442574 [1,0,0,1,0,0|2,0,0]=4 75 B8R1.2 NNC1CCCCC1 MC442575 [1,0,0,1,0,0|2,0,0]=4 76 B8R1.2 O=CC1CCCCC1 MC20143 [1,0,0,1,0,0|0,0,0]=2 77 B8R1.2 O=CC1CCCOC1 MC442323 [1,0,0,1,0,0|1,0,0]=3 78 B8R1.2 O=CC1CCOCC1 MC445812 [1,0,0,1,0,0|1,0,0]=3 79 B8R1.2 O=CN1CCOCC1 CS11780 [1,0,0,1,0,0|2,0,0]=4 80 B8R1.2 OCC1CCCCC1 MC20144 [1,0,0,1,0,0|0,0,2]=4 81 B8R1.5 CC1CCNCC1=O MC105562 [1,0,0,1,0,0|1,0,0]=3 82 B8R1.5 CC1CNCCC1=O MC106748 [1,0,0,1,0,0|1,0,0]=3 83 B8R1.5 CC1COCCC1=O MC425868 [1,0,0,1,0,0|1,0,0]=3 84 B8R1.5 CN1CCNCC1=O CS17040 [1,0,0,1,0,0|2,0,0]=4 85 B8R1.5 CN1CCNCC1=O CS18390 [1,0,0,1,0,0|2,0,0]=4 86 B8R1.5 NC1CCCNC1=O MC106744 [1,0,0,1,0,0|2,0,0]=4 87 B8R1.5 O=C1CCCCC1=O CS20486 [1,0,0,1,0,0|1,0,1]=4 88 B8R1.5 O=C1CCNCC1Br MC106749 [1,0,0,1,0,0|2,0,0]=4 89 B8R1.5 O=C1NCCCC1Br CS14644 [1,0,0,1,0,0|2,0,0]=4 90 B8R1.5 O=C1NCCCC1O CS19689 [1,0,0,1,0,0|2,0,0]=4 91 B8R1.5 O=C1OCCCC1O CS16147 [1,0,0,1,0,0|2,0,0]=4 92 B8R1.8 ICCC1CCCC1 MC106254 [1,0,0,1,0,0|1,0,1]=4 93 B8R1.8 NCCC1CCCC1 CS15909 [1,0,0,1,0,0|1,0,1]=4 94 B8R1.11 N#CC1CCCC1=O CS20047 [1,0,0,1,0,0|1,0,1]=4 95 B8R1.11 O=C1NCCC1CO MC104392 [1,0,0,1,0,0|2,0,0]=4 96 B8R1.22 O=C1CCCNCC1 CS19096 [1,0,0,1,0,0|1,0,0]=3 97 B8R1.22 O=C1CCNCCN1 CS18857 [1,0,0,1,0,0|2,0,0]=4 98 B8R1.22 O=C1CCSCCN1 MC121122 [1,0,0,1,0,0|2,0,0]=4 99 B8R1.22 O=S1CCCNCC1 MC100495 [1,0,0,1,0,0|2,0,0]=4 100 B8R1.49 C1=CCCCCCC1 MC445004 [1,0,0,1,0,0|1,0,0]=3 101 B8R1.1 CN1CCC(CN)C1 MC104144 [1,0,0,1,0,0|2,0,0]=4 102 B8R1.1 CN1CCC(CN)C1 MC105308 [1,0,0,1,0,0|2,0,0]=4 103 B8R1.1 CN1CCC(CO)C1 MC102370 [1,0,0,1,0,0|1,0,1]=4 104 B8R1.1 CN1CCC(CO)C1 MC102371 [1,0,0,1,0,0|1,0,1]=4 105 B8R1.4 CC1CC(=O)CCN1 MC101989 [1,0,0,1,0,0|1,0,0]=3 106 B8R1.4 CC1CC(=O)CCN1 MC103769 [1,0,0,1,0,0|1,0,0]=3 107 B8R1.4 CC1CC(=O)CCN1 MC444193 [1,0,0,1,0,0|1,0,0]=3 108 B8R1.4 CC1CC(=O)CCO1 MC103799 [1,0,0,1,0,0|1,0,0]=3 109 B8R1.4 CC1CC(=O)CCO1 MC103800 [1,0,0,1,0,0|1,0,0]=3 110 B8R1.4 CC1CC(=O)CCO1 MC31001 [1,0,0,1,0,0|1,0,0]=3 111 B8R1.4 CC1CC(O)CCN1 MC102122 [1,0,0,1,0,0|1,0,1]=4 112 B8R1.4 CC1CC(O)CCN1 MC102123 [1,0,0,1,0,0|1,0,1]=4 113 B8R1.4 CC1CC(O)CCN1 MC102289 [1,0,0,1,0,0|1,0,1]=4 114 B8R1.4 CC1CC(O)CCO1 MC31218 [1,0,0,1,0,0|1,0,1]=4 115 B8R1.4 CC1CCNC(C)C1 CS21125 [1,0,0,1,0,0|1,0,1]=4 116 B8R1.4 CC1CNCC(=O)N1 MC103795 [1,0,0,1,0,0|2,0,0]=4 117 B8R1.4 CC1CNCC(=O)N1 MC104244 [1,0,0,1,0,0|2,0,0]=4 118 B8R1.4 CC1CNCC(=O)N1 MC444027 [1,0,0,1,0,0|2,0,0]=4 119 B8R1.4 CC1CNCC(C)C1 CS14191 [1,0,0,1,0,0|1,0,1]=4 120 B8R1.4 CN1CCCC(N)C1 MC102357 [1,0,0,1,0,0|2,0,0]=4 121 B8R1.4 CN1CCCC(N)C1 MC444039 [1,0,0,1,0,0|2,0,0]=4 122 B8R1.4 CN1CCCC(N)C1 MC444227 [1,0,0,1,0,0|2,0,0]=4 123 B8R1.4 CN1CCCC(O)C1 MC445500 [1,0,0,1,0,0|1,0,1]=4 124 B8R1.4 CN1CCNC(=O)C1 CS13438 [1,0,0,1,0,0|2,0,0]=4 125 B8R1.4 CN1CCOC(=O)C1 CS17566 [1,0,0,1,0,0|2,0,0]=4 126 B8R1.4 NC1CCCC(N)C1 CS17066 [1,0,0,1,0,0|2,0,0]=4 127 B8R1.4 NC1CCCC(O)C1 CS17342 [1,0,0,1,0,0|1,0,1]=4 128 B8R1.4 NC1CCCC(O)C1 CS18558 [1,0,0,1,0,0|1,0,1]=4 129 B8R1.4 NC1CCCC(O)C1 MC116000 [1,0,0,1,0,0|1,0,1]=4 130 B8R1.4 NC1CCCC(O)C1 MC116001 [1,0,0,1,0,0|1,0,1]=4 131 B8R1.4 NC1CCNC(=O)C1 CS15459 [1,0,0,1,0,0|2,0,0]=4 132 B8R1.4 NC1CCNC(=O)C1 MC444313 [1,0,0,1,0,0|2,0,0]=4 133 B8R1.4 O=C1CCCC(=O)C1 CS19094 [1,0,0,1,0,0|1,0,1]=4 134 B8R1.72 CC1(C)CCNCC1 CS13819 [1,0,0,1,0,0|1,0,1]=4 135 B8R1.72 CC1(C)CNCCN1 CS18507 [1,0,0,1,0,0|2,0,0]=4 136 B8R1.72 CC1(C)CNCCO1 MC100077 [1,0,0,1,0,0|1,0,1]=4 137 B8R1.72 CC1(C)COCCN1 CS21909 [1,0,0,1,0,0|2,0,0]=4 138 B10R1.13 CC1CCC(C(C)C)CC1 MC428284 [0,1,0,1,0,0|1,0,1]=4 139 B10R1.18 CC(C)OC1CCCNC1 MC111746 [0,1,0,1,0,0|2,0,0]=4 140 B10R1.61 CC(=O)C1CCCCC1=O CS21211 [0,1,0,1,0,0|1,0,1]=4 141 B10R1.120 CC1(C)CC(O)CCC1=O MC110923 [0,1,0,1,0,0|0,0,0]=2 142 B10R1.28 CC(C)(C)C1CC=CCC1 CS14977 [0,1,0,1,0,0|1,0,1]=4 143 B10R1.65 O=C1CCCC1C(F)(F)F MC429267 [0,1,0,1,0,0|2,0,0]=4 144 B10R1.1 CN1CCC(CC=O)CC1 MC431131 [0,1,0,1,0,0|1,0,0]=3 145 B10R1.1 CN1CCN(CC=O)CC1 MC104423 [0,1,0,1,0,0|2,0,0]=4 146 B10R1.113 CC1CCNC(C(=O)O)C1 CS13084 [0,1,0,1,0,0|1,0,0]=3 147 B10R1.113 NC1CCCC(C(=O)O)C1 CS14264 [0,1,0,1,0,0|1,0,0]=3 148 B10R1.113 NC1CCCC(C(=O)O)C1 CS17221 [0,1,0,1,0,0|1,0,0]=3 149 B10R1.113 NC1CCCC(C(=O)O)C1 CS17237 [0,1,0,1,0,0|1,0,0]=3 150 B10R1.113 NC1CCCC(C(=O)O)C1 CS19619 [0,1,0,1,0,0|1,0,0]=3 151 B10R1.113 NC1CCCC(C(=O)O)C1 MC105219 [0,1,0,1,0,0|1,0,0]=3 152 B10R1.113 O=C(O)C1CC(O)CCN1 MC445804 [0,1,0,1,0,0|2,0,0]=4 153 B10R1.128 CC1(C)CNCC1C(=O)O CS14764 [0,1,0,1,0,0|1,0,0]=3 154 B10R1.128 CC1(C)SCNC1C(=O)O MC438068 [0,1,0,1,0,0|2,0,0]=4 155 B10R2.71 NC1CC2CCC(C1)C2 MC103529 [0,0,0,2,0,0|1,0,1]=4 156 B10R2.71 O=C1CC2CCC(C1)N2 CS18910 [0,0,0,2,0,0|1,0,0]=3 157 B10R2.99 O=CC1CC2CCC1C2 CS11804 [0,0,0,2,0,0|0,0,0]=2 158 B10R2.408 C1CC2CNCC(C1)C2 MC121179 [0,0,0,2,0,0|1,0,1]=4 159 B10R2.15 O=C1CNCCC12CC2 MC104891 [0,0,0,2,0,0|1,0,0]=3