0 B10R0.91 C=CCNC(=O)NCCCC S607363 [0,0,0,0,0,0|2,0,2]=4 1 B10R0.91 CCCCNC(=O)CNCC PH014734 [0,0,0,0,0,0|3,0,0]=3 2 B10R0.91 CCCCNC(=O)OCCI PH005343 [0,0,0,0,0,0|2,0,0]=2 3 B10R0.91 CCCCOC(=O)CCCN T160474 [0,0,0,0,0,0|3,0,0]=3 4 B10R0.91 CCNCC(=O)NCCOC PH014802 [0,0,0,0,0,0|4,0,0]=4 5 B9R0.5 CCCCC/C(=C/CO)/I S326747 [1,0,0,0,0,0|2,0,1]=4 6 B9R0.5 CCCCCC(=O)CCC S411825 [1,0,0,0,0,0|0,0,0]=1 7 B9R0.5 CCCCCC(C)CCC S431648 [1,0,0,0,0,0|1,0,1]=3 8 B9R0.5 CCCCCC(C)CCN PH007332 [1,0,0,0,0,0|2,0,1]=4 9 B9R0.5 CCCCNC(=O)CC#N PH010800 [1,0,0,0,0,0|2,0,1]=4 10 B9R0.5 CCCCNC(=O)CCC EME00389 [1,0,0,0,0,0|1,0,0]=2 11 B9R0.5 CCCCNC(=O)CNC CBR01986 [1,0,0,0,0,0|2,0,0]=3 12 B9R0.5 CCCCNC(=O)NCC S802077 [1,0,0,0,0,0|2,0,0]=3 13 B9R0.5 CCCCNC(=O)OCC S406988 [1,0,0,0,0,0|1,0,0]=2 14 B9R0.5 CCCCOC(C)OCC S240214 [1,0,0,0,0,0|2,0,1]=4 15 B9R0.5 CCNC(=O)NCCCO S804738 [1,0,0,0,0,0|3,0,0]=4 16 B9R0.5 CCNC(=O)NCCOC S804746 [1,0,0,0,0,0|3,0,0]=4 17 B9R0.5 CCOC(=O)CCCCI S677175 [1,0,0,0,0,0|1,0,0]=2 18 B9R0.5 CCOC(=O)CCCCN CDS023812 [1,0,0,0,0,0|1,0,0]=2 19 B9R0.5 CCOC(=O)CCN=C=S CDS000897 [1,0,0,0,0,0|2,0,1]=4 20 B9R0.5 CCOC(=O)NCCCBr PH001320 [1,0,0,0,0,0|2,0,0]=3 21 B9R0.5 [C-]#[N+]CCCC(=O)OCC PH015035 [1,0,0,0,0,0|1,0,1]=3 22 B9R0.18 CCCNC(=S)NCCC S521264 [1,0,0,0,0,0|2,1,0]=4 23 B9R0.18 O=C(CCCO)NCCO PH008175 [1,0,0,0,0,0|3,0,0]=4 24 B9R0.18 O=C(NCCCl)OCCCl R416347 [1,0,0,0,0,0|3,0,0]=4 25 B9R0.18 [NH2+](CC)CC(=O)OCC=C R240648 [1,0,0,0,0,0|1,0,2]=4 26 B9R0.45 C(=C/CCCCO)\CCI T166057 [1,0,0,0,0,0|3,0,0]=4 27 B9R0.45 C(=C\CCCCO)\CCI T166065 [1,0,0,0,0,0|3,0,0]=4 28 B9R0.45 CCCCCCCCNC CDS003222 [1,0,0,0,0,0|2,0,1]=4 29 B9R0.45 CCCCCCOCC#N S240370 [1,0,0,0,0,0|1,0,2]=4 30 B9R0.45 CCCCCCSCCO S362344 [1,0,0,0,0,0|1,1,1]=4 31 B9R0.45 CCCCCNCCCC OTV000733 [1,0,0,0,0,0|2,0,0]=3 32 B9R0.45 CCCCNCCCCO PH011467 [1,0,0,0,0,0|3,0,0]=4 33 B9R0.45 CCCSCCSCCC S347841 [1,0,0,0,0,0|1,1,1]=4 34 B11R0.11 CCCNC(=O)C(=O)NCCC S730513 [0,1,0,0,0,0|2,0,1]=4 35 B11R0.46 CCCCCC(=O)CCC(=O)O T330051 [0,1,0,0,0,0|2,0,1]=4 36 B11R0.81 CCNCC(=O)NCCCOC PH014810 [0,1,0,0,0,0|3,0,0]=4 37 B11R0.81 O=C(CCCCCO)NCCO PH009131 [0,1,0,0,0,0|2,0,0]=3 38 B11R0.140 CCCCC[Sn](=O)CCCCC S395854 [0,1,0,0,0,0|2,0,0]=3 39 B11R0.140 CCCCNC(=O)NCCCC S546577 [0,1,0,0,0,0|2,0,0]=3 40 B11R0.155 CCCCCC(=O)C(C)CCC S504874 [0,1,0,0,0,0|1,0,0]=2 41 B11R1.17 CCCCC1CCCCC1O S359122 [0,0,0,1,0,0|1,0,2]=4 42 B11R1.28 CCCCCC1CCCCC1 S431664 [0,0,0,1,0,0|2,0,1]=4 43 B11R1.101 O=C1C=CCCCCCCC1 T231835 [0,0,0,1,0,0|1,0,1]=3 44 B11R1.101 O=C1CCC=CCCCCC1 S939781 [0,0,0,1,0,0|1,0,2]=4 45 B11R1.101 O=C1CCCCCCCCN1 S929964 [0,0,0,1,0,0|1,0,0]=2 46 B11R1.203 CCCCC1CCCCCN1 PH015579 [0,0,0,1,0,0|2,0,1]=4 47 B11R1.285 CCNCC(=O)NCC1CC1 PH014803 [0,0,0,1,0,0|3,0,0]=4 48 B11R1.605 C=C1CCCC(C1CCO)C S884537 [0,0,0,1,0,0|3,0,0]=4 49 B11R1.756 CCCCCC1(CCCC1)O S412457 [0,0,0,1,0,0|1,0,2]=4 50 B11R1.900 CCCCC1(CCCCC1)O S406953 [0,0,0,1,0,0|1,0,2]=4 51 B8R0.1 CCCCC(=O)CCC S456489 [2,0,0,0,0,0|0,0,0]=2 52 B8R0.1 CCCNC(=O)NCC S805858 [2,0,0,0,0,0|2,0,0]=4 53 B8R0.1 CCCNC(=O)OCC S361909 [2,0,0,0,0,0|1,0,0]=3 54 B8R0.1 CCOC(=O)CCC#N PH003642 [2,0,0,0,0,0|1,0,1]=4 55 B8R0.1 CCOC(=O)CCOC CDS025273 [2,0,0,0,0,0|1,0,0]=3 56 B8R0.1 CCOC(=O)NCCO S391980 [2,0,0,0,0,0|2,0,0]=4 57 B8R0.4 CCCCCCCSC S570729 [2,0,0,0,0,0|1,0,1]=4 58 B8R0.4 CCCCCSCCO S357928 [2,0,0,0,0,0|1,1,0]=4 59 B8R0.4 CCCCNCCCC S367869 [2,0,0,0,0,0|1,0,1]=4 60 B8R0.4 CCCCNCCCC S503894 [2,0,0,0,0,0|1,0,1]=4 61 B8R0.4 CCCCNCCCC S566152 [2,0,0,0,0,0|1,0,1]=4 62 B8R0.4 [NH2+](CCCC)CCCC S348880 [2,0,0,0,0,0|1,0,1]=4 63 B8R0.6 C#CCCCC(=O)OC T287598 [2,0,0,0,0,0|0,0,2]=4 64 B8R0.6 CCC/C=C/C(=O)OC R436038 [2,0,0,0,0,0|0,0,2]=4 65 B8R0.6 CCCCCC(=O)NN S849049 [2,0,0,0,0,0|2,0,0]=4 66 B8R0.6 CCCCCC(=O)SC CDS010601 [2,0,0,0,0,0|0,1,0]=3 67 B8R0.6 CCCCNC(=O)CCl TMT00394 [2,0,0,0,0,0|2,0,0]=4 68 B8R0.6 CCCCNC(=O)OC S352683 [2,0,0,0,0,0|1,0,0]=3 69 B8R0.6 CCCCOC(=O)CCl S431451 [2,0,0,0,0,0|2,0,0]=4 70 B8R0.6 CCCCOC(=O)CS S436992 [2,0,0,0,0,0|2,0,0]=4 71 B8R0.6 CCOCCC(=O)OC PH000125 [2,0,0,0,0,0|1,0,0]=3 72 B8R0.6 CCSCCC(=O)OC S365688 [2,0,0,0,0,0|1,0,0]=3 73 B10R0.1 CCCCCOC(=O)CC#N S549703 [1,1,0,0,0,0|1,0,1]=4 74 B10R0.1 CCCNCCC(=O)OCC OTV000022 [1,1,0,0,0,0|0,0,0]=2 75 B10R0.1 CCOC(=O)CCC/C=N/O T240745 [1,1,0,0,0,0|1,0,1]=4 76 B10R0.2 CCCC(N)CC(=O)OCC CBR01547 [1,1,0,0,0,0|0,0,0]=2 77 B10R0.2 CCOC(=O)CC(=S)OCC S664936 [1,1,0,0,0,0|1,0,1]=4 78 B10R0.2 CCOC(=O)CC(O)COC S877271 [1,1,0,0,0,0|1,0,0]=3 79 B10R0.3 CCOC(=O)CCCC(=O)O PH011452 [1,1,0,0,0,0|1,0,1]=4 80 B10R0.3 CCOC(=O)CCCN(C)C PH002341 [1,1,0,0,0,0|1,0,0]=3 81 B10R0.3 CCOC(=O)CCC[N+](=O)[O-] PH017280 [1,1,0,0,0,0|2,0,0]=4 82 B10R0.3 CCOC(=O)COCC(C)C T332593 [1,1,0,0,0,0|1,0,0]=3 83 B10R0.6 CCCCCC(=O)C=C(C)C T270466 [1,1,0,0,0,0|0,0,2]=4 84 B10R0.6 CCCCCC(O)CC(C)C S417432 [1,1,0,0,0,0|0,0,2]=4 85 B10R0.6 CCCCNC(=O)CC(=O)C R466115 [1,1,0,0,0,0|1,0,1]=4 86 B10R0.83 CCCCCC(O)C(C)CC S417440 [1,1,0,0,0,0|0,0,2]=4 87 B10R0.83 CCCCNC(=O)C(Br)CC PH015166 [1,1,0,0,0,0|1,0,0]=3 88 B10R0.108 CCCC(=O)OCC(O)CO CDS003526 [1,1,0,0,0,0|2,0,0]=4 89 B10R0.156 CCCCCC(C)(O)CCC S417459 [1,1,0,0,0,0|0,0,2]=4 90 B10R0.156 CCCCCS(=O)(=O)CCCl R395382 [1,1,0,0,0,0|2,0,0]=4 91 B10R0.18 CCNCC(=O)NC(C)CC PH014816 [1,1,0,0,0,0|2,0,0]=4 92 B10R0.116 CCCCP(=O)([Na])CCCC R466778 [1,1,0,0,0,0|2,0,0]=4 93 B10R0.4 CCCCCCCCC(C)N T151068 [1,1,0,0,0,0|1,0,1]=4 94 B10R0.71 CCCCCCCCCCF S570354 [1,1,0,0,0,0|1,0,1]=4 95 B10R0.71 CCCCCCCCSCC S570656 [1,1,0,0,0,0|1,0,1]=4 96 B10R0.71 CCCCCCNCCCC OTV000454 [1,1,0,0,0,0|1,0,1]=4 97 B10R0.71 CCCCCCOCCCN S392022 [1,1,0,0,0,0|0,0,1]=3 98 B10R0.71 CCCCCNCCCCC S503770 [1,1,0,0,0,0|1,0,1]=4 99 B10R0.71 [NH2+](CCCCl)CCCCCC R738158 [1,1,0,0,0,0|1,0,1]=4 100 B10R0.74 CCCCCCCC(O)CC CDS001495 [1,1,0,0,0,0|1,0,1]=4 101 B12R0.103 CCCNC(=O)CC(=O)NCCC PH007137 [0,2,0,0,0,0|1,0,1]=4 102 B12R0.239 CCCCOC(=O)CC(=O)OCC S810886 [0,2,0,0,0,0|1,0,1]=4 103 B12R0.47 CCCCOCC(=O)OCCCC S540676 [0,2,0,0,0,0|0,0,0]=2 104 B12R0.114 CCOC(=O)C(=O)CCCCCCl CDS020993 [0,2,0,0,0,0|2,0,0]=4 105 B12R0.634 CCCCCS(=O)(=O)CCCCC PH011615 [0,2,0,0,0,0|2,0,0]=4 106 B10R1.10 CCCC1CCCC(=O)O1 CDS001273 [1,0,0,1,0,0|1,0,0]=3 107 B10R1.11 CCOC(=O)C1=CCCC1 S942871 [1,0,0,1,0,0|0,0,2]=4 108 B10R1.21 CCCCCC1=NCCS1 PH008239 [1,0,0,1,0,0|1,1,0]=4 109 B10R1.29 CCCCN1CCCC1=O S434221 [1,0,0,1,0,0|1,0,0]=3 110 B10R1.78 CC1CCCCCCCC1 T187364 [1,0,0,1,0,0|1,0,1]=4 111 B10R1.78 O=C1C=CCCCCCC1 L169854 [1,0,0,1,0,0|0,0,2]=4 112 B10R1.138 CNCC(=O)NCC1CC1 PH017398 [1,0,0,1,0,0|2,0,0]=4 113 B10R1.277 CC1CCCC(=O)CC1=O T271306 [1,0,0,1,0,0|1,0,1]=4 114 B10R1.4 NCCN1CCCCC1=O CBR02341 [1,0,0,1,0,0|2,0,0]=4 115 B10R1.4 NCCN1CCCOC1=O CBR00826 [1,0,0,1,0,0|2,0,0]=4 116 B10R1.185 C1=CCCCCCCCC1 S462977 [1,0,0,1,0,0|1,0,0]=3 117 B12R1.53 CCNCC(=O)NC1CCCC1 PH014805 [0,1,0,1,0,0|2,0,0]=4 118 B12R1.30 O=C(NCCO)C1CCCCC1 R677264 [0,1,0,1,0,0|2,0,0]=4 119 B12R1.150 O=C1CCCCCCCCC1=O T209074 [0,1,0,1,0,0|1,0,0]=3 120 B12R1.150 O=C1CCCCCCCCC1O S116742 [0,1,0,1,0,0|1,0,0]=3 121 B12R1.206 O=C1CCC(=O)OCCCCO1 S765023 [0,1,0,1,0,0|1,0,1]=4 122 B12R1.210 CN(C)CC1CCCCCC1=O T229334 [0,1,0,1,0,0|2,0,0]=4 123 B12R1.2217 C=C(CC)CC1C(=O)CC[C@H]1C T218596 [0,1,0,1,0,0|1,0,1]=4 124 B12R1.8 CCCCCCC1=NCCCS1 PH000572 [0,1,0,1,0,0|1,1,0]=4 125 B12R1.407 CCC1C=CCCCCC(=O)C1 T211451 [0,1,0,1,0,0|1,0,1]=4 126 B12R1.978 CC1(CCCCC(=O)CCC1)C T191582 [0,1,0,1,0,0|1,0,0]=3 127 B12R1.25 CCCCC1NCCN(C1=O)C CDS006937 [0,1,0,1,0,0|2,0,0]=4 128 B12R1.55 CCOC(=O)C(=O)C1CCCC1 PH014421 [0,1,0,1,0,0|2,0,0]=4 129 B12R2.1019 O=C1NC2CCCC1CCC2 T170720 [0,0,0,2,0,0|2,0,0]=4 130 B12R2.7 O=C1CCCCC12CCCO2 T287350 [0,0,0,2,0,0|2,0,0]=4 131 B12R2.24 C12CCCCC1NC(=O)CC2 S782548 [0,0,0,2,0,0|1,0,0]=3 132 B12R2.24 O=C1CN2CCCCC2CN1 T162582 [0,0,0,2,0,0|2,0,0]=4 133 B12R2.375 C(=O)C1CCC2C1CC(=O)O2 T211354 [0,0,0,2,0,0|1,0,1]=4 134 B12R2.2918 CC1COC2(O1)CCCCC2 S363685 [0,0,0,2,0,0|0,0,2]=4 135 B12R2.114 [C@H]12CCCC(=O)N[C@H]1CCC2 T167304 [0,0,0,2,0,0|1,0,0]=3 136 B12R2.219 [C@@H]12CC=CC[C@@]1(COC2=O)C T200786 [0,0,0,2,0,0|0,0,2]=4