0 B10R0.4 CC(=CCCCCCCBr)C S793051 [0,0,0,0,0,0|2,0,1]=3 1 B10R0.4 CCCCC/C=C/CC(=O)O CDS000243 [0,0,0,0,0,0|1,0,2]=3 2 B10R0.4 CCCCCCC#CC(=O)O S354023 [0,0,0,0,0,0|1,0,2]=3 3 B10R0.4 CCCCCCCCC(=N)N PH012190 [0,0,0,0,0,0|2,0,2]=4 4 B10R0.4 CCCCCCCCC(=O)N S595268 [0,0,0,0,0,0|1,0,2]=3 5 B10R0.4 CCCCCCCCC(C)N T151068 [0,0,0,0,0,0|1,0,3]=4 6 B10R0.4 CCCCCCCC[N+](=O)[O-] S917680 [0,0,0,0,0,0|2,0,2]=4 7 B10R0.4 CCCCCCCNC(=O)C R704377 [0,0,0,0,0,0|1,0,1]=2 8 B10R0.4 CCCCCCCNC(=O)N S516643 [0,0,0,0,0,0|2,0,1]=3 9 B10R0.4 COCCOCCOC(=O)C S705659 [0,0,0,0,0,0|3,0,1]=4 10 B9R0.2 CCCC/C=C/CC(=O)O CDS000466 [1,0,0,0,0,0|1,0,2]=4 11 B9R0.2 CCCCCCCC(C)Br S438758 [1,0,0,0,0,0|1,0,2]=4 12 B9R0.2 CCCNOCCC(=O)C S581321 [1,0,0,0,0,0|2,0,1]=4 13 B9R0.2 COCCCCCC(=O)O CBR00492 [1,0,0,0,0,0|2,0,1]=4 14 B9R0.45 CCCCCCCCNC CDS003222 [1,0,0,0,0,0|1,0,2]=4 15 B11R0.2 CCCCCCC(=O)CC(C)C S350567 [0,1,0,0,0,0|1,0,2]=4 16 B11R0.2 CCCCCCC(C)CC(=O)O CDS011550 [0,1,0,0,0,0|1,0,2]=4 17 B11R0.42 CCCCCC/C=C(/C)\C(=O)O S489905 [0,1,0,0,0,0|1,0,0]=2 18 B11R0.42 CCCCCCCC(=O)C(C)C S561193 [0,1,0,0,0,0|1,0,2]=4 19 B11R0.42 CCCCCCCC(Br)C(=O)O PH002927 [0,1,0,0,0,0|1,0,2]=4 20 B11R0.42 CCCCCCCC(C)C(=O)O S874582 [0,1,0,0,0,0|1,0,2]=4 21 B11R0.148 C(=O)CCCCCCOC(=O)C T168823 [0,1,0,0,0,0|1,0,2]=4 22 B11R0.148 CCCCCC#CCCC(=O)C S884901 [0,1,0,0,0,0|0,0,3]=4 23 B11R0.148 CCCCCC/C=C/CC(=O)O CDS000299 [0,1,0,0,0,0|1,0,0]=2 24 B11R0.148 CCCCCCCCC=C(C)C T293466 [0,1,0,0,0,0|1,0,1]=3 25 B11R0.148 CCCCCCCCCC(=O)N S549878 [0,1,0,0,0,0|1,0,2]=4 26 B11R0.148 CCCCOCCOCC(=O)O CDS000206 [0,1,0,0,0,0|2,0,1]=4 27 B11R0.148 O=C(O)CCCCCCCCBr T333328 [0,1,0,0,0,0|1,0,2]=4 28 B11R0.148 O=C(O)CCCCCCCCO CDS018651 [0,1,0,0,0,0|1,0,2]=4 29 B11R0.159 CCCCCC/C=C/C(Cl)(Cl)Cl S722146 [0,1,0,0,0,0|2,0,1]=4 30 B11R0.159 CCCCCCCNS(=O)(=O)C T170321 [0,1,0,0,0,0|2,0,1]=4 31 B11R1.86 CC(=O)CN1CCCCC1C R433667 [0,0,0,1,0,0|1,0,1]=3 32 B11R1.86 CC1CCCCC1CC(=O)O L127892 [0,0,0,1,0,0|1,0,2]=4 33 B11R1.86 CC\1CCCC/C1=C\C(=O)O L128546 [0,0,0,1,0,0|1,0,0]=2 34 B11R1.86 CN1CCCNC1=CC(=O)O PH018971 [0,0,0,1,0,0|3,0,0]=4 35 B11R1.91 C=C(C)CNC1CCCCC1 PH012104 [0,0,0,1,0,0|2,0,1]=4 36 B11R1.91 CC(=O)CCN1CCCCC1 S429961 [0,0,0,1,0,0|1,0,2]=4 37 B11R1.91 CC(=O)NCC1CCCNC1 CBR01926 [0,0,0,1,0,0|2,0,1]=4 38 B11R1.91 CC(=O)NCC1CCNCC1 CBR01056 [0,0,0,1,0,0|2,0,1]=4 39 B11R1.91 CC(=O)OCC1CCCCO1 S364959 [0,0,0,1,0,0|2,0,1]=4 40 B11R1.91 NC(=O)CCC1CCCCC1 EME00450 [0,0,0,1,0,0|1,0,2]=4 41 B11R1.91 NC(=O)NCC1CCCCC1 S517046 [0,0,0,1,0,0|2,0,1]=4 42 B11R1.91 O=C(O)CNC1CCCCC1 PH010418 [0,0,0,1,0,0|2,0,1]=4 43 B11R1.101 O=C1C=CCCCCCCC1 T231835 [0,0,0,1,0,0|0,0,0]=1 44 B11R1.101 O=C1CCCCCCCCN1 S929964 [0,0,0,1,0,0|1,0,1]=3 45 B11R1.706 CC(=C1CCCCCCC1)C T187453 [0,0,0,1,0,0|1,0,1]=3 46 B11R1.742 NC(=O)NC1CCCCCC1 S344907 [0,0,0,1,0,0|2,0,1]=4 47 B11R1.742 O=C(O)CN1CCCCCC1 CBR00324 [0,0,0,1,0,0|2,0,1]=4 48 B8R0.4 C#CCCCCC=CC T304468 [2,0,0,0,0,0|0,0,2]=4 49 B8R0.4 C(=C/CCCCCO)\C T264652 [2,0,0,0,0,0|1,0,0]=3 50 B8R0.4 CCCCCCCSC S570729 [2,0,0,0,0,0|1,0,1]=4 51 B8R0.7 CC(=CCCCCBr)C PH009497 [2,0,0,0,0,0|2,0,0]=4 52 B8R0.7 CC(=O)NCCCCN CDS021099 [2,0,0,0,0,0|2,0,0]=4 53 B8R0.7 CCCCCCC(C)C S430935 [2,0,0,0,0,0|1,0,1]=4 54 B8R0.7 CCCCCCC(C)Cl S564516 [2,0,0,0,0,0|1,0,1]=4 55 B8R0.7 CCCCCOC(=O)Cl CDS000346 [2,0,0,0,0,0|2,0,0]=4 56 B8R0.7 CCCCOCC(=O)O CDS008145 [2,0,0,0,0,0|2,0,0]=4 57 B8R0.7 CCCC[Hg]OC(=O)C S814512 [2,0,0,0,0,0|2,0,0]=4 58 B8R0.7 CCCNCCC(=O)O OTV000481 [2,0,0,0,0,0|2,0,0]=4 59 B8R0.7 CCSCCCC(=O)O PH008798 [2,0,0,0,0,0|2,0,0]=4 60 B8R0.7 NC(=O)CCCCCBr CDS003086 [2,0,0,0,0,0|2,0,0]=4 61 B8R0.7 NCCCCCC(=O)N CDS015235 [2,0,0,0,0,0|2,0,0]=4 62 B10R0.6 CCCCCC(=O)C=C(C)C T270466 [1,1,0,0,0,0|1,0,0]=3 63 B10R0.6 CCCCNC(=O)CC(=O)C R466115 [1,1,0,0,0,0|1,0,1]=4 64 B10R0.6 CCCOCC(C)OC(=O)C S84450 [1,1,0,0,0,0|2,0,0]=4 65 B10R0.55 CC[C@H](O)CCCCC(=O)C T263230 [1,1,0,0,0,0|0,0,1]=3 66 B10R0.74 C(=O)/C(=C/C=C/CCCC)/C S881708 [1,1,0,0,0,0|0,0,1]=3 67 B10R0.74 CCCCCC#CC(=O)CC S128325 [1,1,0,0,0,0|0,0,2]=4 68 B10R0.74 CCCCCCCC(=O)CC S544043 [1,1,0,0,0,0|0,0,1]=3 69 B10R0.74 CCCCCCCC(=O)NO CDS000528 [1,1,0,0,0,0|1,0,1]=4 70 B10R0.74 CCCCCCCC(=O)N[O-] S756199 [1,1,0,0,0,0|1,0,1]=4 71 B10R0.74 CCCCCCNC(=O)NC S892793 [1,1,0,0,0,0|1,0,0]=3 72 B10R0.74 CCCCCCOC(=O)CCl OTV000847 [1,1,0,0,0,0|1,0,0]=3 73 B10R0.75 CCCCCCC(=O)C(C)C S350575 [1,1,0,0,0,0|1,0,1]=4 74 B12R0.184 CC(C)CCCCCOC(=O)CS S559040 [0,2,0,0,0,0|1,0,1]=4 75 B12R0.49 CCCCC#C/C=C(\C)/C(=O)OC S882127 [0,2,0,0,0,0|0,0,2]=4 76 B12R0.248 CCCCCCCCCC(=O)CC CDS000235 [0,2,0,0,0,0|0,0,2]=4 77 B12R0.248 CCCCCCCCNC(=O)CCl S376833 [0,2,0,0,0,0|0,0,2]=4 78 B12R0.248 CCCCCCCCOC(=O)CCl S530727 [0,2,0,0,0,0|0,0,2]=4 79 B12R0.248 COC(=O)CCCCCCCCI T266353 [0,2,0,0,0,0|0,0,2]=4 80 B12R0.251 CCCCCC/C=C/C(O)C(C)C S326739 [0,2,0,0,0,0|0,0,2]=4 81 B12R0.251 CCCCCCCCC(=O)C(C)C S866784 [0,2,0,0,0,0|0,0,2]=4 82 B12R0.255 CCCCCOC(=O)/C=C/C(=O)O PH000582 [0,2,0,0,0,0|1,0,1]=4 83 B12R0.649 CCCCCC(O)/C=C/C(C)(C)C S326720 [0,2,0,0,0,0|1,0,1]=4 84 B12R0.234 CC(=O)NCCCCCCCCN S233641 [0,2,0,0,0,0|0,0,2]=4 85 B12R0.234 CCCCCCCCCOC(=O)C S364258 [0,2,0,0,0,0|0,0,2]=4 86 B10R1.10 CCCC1CCCC(=O)O1 CDS001273 [1,0,0,1,0,0|1,0,1]=4 87 B10R1.18 CC(=CN1CCCCC1)C S354880 [1,0,0,1,0,0|2,0,0]=4 88 B10R1.18 CC(=O)CC1CCCCC1 CDS001548 [1,0,0,1,0,0|0,0,1]=3 89 B10R1.18 CC(=O)CN1CCCCC1 R433675 [1,0,0,1,0,0|1,0,1]=4 90 B10R1.18 CC(=O)NC1CCCCC1 PH004244 [1,0,0,1,0,0|1,0,0]=3 91 B10R1.18 CC(=O)NC1CCNCC1 CDS000127 [1,0,0,1,0,0|2,0,0]=4 92 B10R1.18 NC(=O)NC1CCCCC1 S375047 [1,0,0,1,0,0|2,0,0]=4 93 B10R1.61 CC(=O)[C@@H]1CCCC[C@@H]1N PH016419 [1,0,0,1,0,0|1,0,1]=4 94 B10R1.78 O=C1C=CC=CCCCC1 T211648 [1,0,0,1,0,0|0,0,2]=4 95 B10R1.78 O=C1C=CCCCCCC1 L169854 [1,0,0,1,0,0|0,0,0]=2 96 B10R1.4 CC1CCCCC1=CC#N T208477 [1,0,0,1,0,0|1,0,1]=4 97 B10R1.7 CC1CCCCCCC1=O S53075 [1,0,0,1,0,0|0,0,2]=4 98 B10R1.17 O=CCCC1CCCCC1 CDS019184 [1,0,0,1,0,0|0,0,2]=4 99 B10R1.185 C1=CCCCCCCCC1 S462977 [1,0,0,1,0,0|0,0,1]=3 100 B12R1.107 CC(=O)CC(=O)N1CCCCC1 S350516 [0,1,0,1,0,0|1,0,1]=4 101 B12R1.107 CC(=O)CC(=O)N1CCCCC1 S787876 [0,1,0,1,0,0|1,0,1]=4 102 B12R1.212 C/C(=C/1\CCCCCCC1=O)/N L163708 [0,1,0,1,0,0|1,0,0]=3 103 B12R1.260 CC(=O)CC(=O)NC1CCCC1 S345113 [0,1,0,1,0,0|1,0,1]=4 104 B12R1.1392 CC(=O)OC1=CCCCCCC1 S39196 [0,1,0,1,0,0|0,0,0]=2 105 B12R1.1392 CC(=O)OC1C=CCCCCC1 T172537 [0,1,0,1,0,0|0,0,2]=4 106 B12R1.1392 CC(=O)OC1CCCCCCC1 S345067 [0,1,0,1,0,0|0,0,2]=4 107 B12R1.1392 CC(=O)OC1CCCCCOC1 T165980 [0,1,0,1,0,0|1,0,1]=4 108 B12R1.1392 CC(=O)OC1CCCCOCC1 T177261 [0,1,0,1,0,0|1,0,1]=4 109 B12R1.27 O=C(CCl)NCC1CCCCC1 CBR00098 [0,1,0,1,0,0|1,0,1]=4 110 B12R1.150 O=C1CCCCCCCCC1=O T209074 [0,1,0,1,0,0|0,0,1]=3 111 B12R1.150 O=C1CCCCCCCCC1O S116742 [0,1,0,1,0,0|0,0,2]=4 112 B12R1.477 COC(=O)NCCC1CCCC1 T175315 [0,1,0,1,0,0|1,0,1]=4 113 B12R1.43 C/C(=C\C1CCCCC1)/C(=O)O T135801 [0,1,0,1,0,0|1,0,0]=3 114 B12R1.127 CC(=O)NC1CC(CCC1C)Cl S765635 [0,1,0,1,0,0|1,0,1]=4 115 B12R1.252 CC(=O)CCC=C1CCCCC1 T326119 [0,1,0,1,0,0|0,0,2]=4 116 B12R1.252 CC(=O)NCCC1CCCCN1 CBR01178 [0,1,0,1,0,0|1,0,1]=4 117 B12R1.252 CC(=O)OCCC1CCCCO1 T177571 [0,1,0,1,0,0|1,0,1]=4 118 B12R1.75 COC1CCCCC1OC(=O)C S677361 [0,1,0,1,0,0|1,0,1]=4 119 B12R2.24 C12CCCCC1NC(=O)CC2 S782548 [0,0,0,2,0,0|1,0,1]=4 120 B12R2.2028 CC1CC(=O)C2=C1CCCC2 T202851 [0,0,0,2,0,0|0,0,2]=4 121 B12R2.114 [C@H]12CCCC(=O)N[C@H]1CCC2 T167304 [0,0,0,2,0,0|1,0,1]=4 122 B12R2.1661 CC(=O)OC1CC2CCC1C2 S957747 [0,0,0,2,0,0|1,0,1]=4 123 B12R2.1661 [C@H]12CC[C@H](C1)CC2SC(=O)C S431249 [0,0,0,2,0,0|1,0,1]=4