0 B9R1.6 CC(=O)C1CCCCC1 PH000084 [0,0,0,0,0,0|1,0,0]=1 1 B9R1.6 CC(=O)C1CCCNC1 CBR02306 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.6 CC(C)C1CCCCN1 PH003734 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.6 CC(C)C1CCNCC1 CDS000108 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.6 CC(O)C1=CCCCC1 PH015453 [0,0,0,0,0,0|1,0,3]=4 5 B9R1.6 CC(O)C1C=CCCC1 T181412 [0,0,0,0,0,0|1,0,3]=4 6 B9R1.6 CN(C)C1CCNCC1 CDS003977 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.6 N1CCC(CC1)N(C)C S346675 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.6 N=C(N)N1CCCCC1 CDS014887 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.6 NC(=C1CCNCC1)N PH019111 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.6 NC(=O)C1CCCCN1 CDS009633 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.6 NC(=O)N1CCNCC1 CDS002866 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.6 NC(=S)C1CCNCC1 CBR01740 [0,0,0,0,0,0|2,1,0]=3 13 B9R1.6 O=C(Cl)C1CC=CCC1 PH015122 [0,0,0,0,0,0|1,0,2]=3 14 B9R1.6 O=C(Cl)C1CCOCC1 CDS016614 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.6 O=C(Cl)C1CCOCC1 SYX00374 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.6 O=C(O)C1=COCCC1 CDS022220 [0,0,0,0,0,0|1,0,2]=3 17 B9R1.6 O=C(O)C1=COCCO1 T325333 [0,0,0,0,0,0|2,0,2]=4 18 B9R1.6 O=C(O)C1C=CCC=C1 T167908 [0,0,0,0,0,0|0,0,4]=4 19 B9R1.6 O=C(O)C1CCCCO1 CDS015473 [0,0,0,0,0,0|1,0,0]=1 20 B9R1.6 O=C(O)C1CCCOC1 CDS010407 [0,0,0,0,0,0|1,0,0]=1 21 B9R1.6 O=C(O)C1CCSCN1 CBR00886 [0,0,0,0,0,0|2,0,0]=2 22 B9R1.6 O=C(O)C1CNCCN1 PH011527 [0,0,0,0,0,0|2,0,0]=2 23 B9R1.6 O=C(O)C1CNCCO1 CDS017627 [0,0,0,0,0,0|2,0,0]=2 24 B9R1.6 OB(O)C1=CCCCC1 CDS004318 [0,0,0,0,0,0|1,0,3]=4 25 B9R1.6 S=C([S-])N1CCOCC1 S353620 [0,0,0,0,0,0|2,2,0]=4 26 B8R1.2 BrCC1CCOCC1 CDS013754 [1,0,0,0,0,0|2,0,1]=4 27 B8R1.2 C#CC1CCOCC1 CDS024231 [1,0,0,0,0,0|2,0,1]=4 28 B8R1.2 CNC1CCOCC1 CDS001741 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.2 COC1CCCNC1 CDS007978 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.2 N#CC1CCCNC1 CDS008635 [1,0,0,0,0,0|2,0,1]=4 31 B8R1.2 N#C[C@@H]1CCCNC1 CDS008821 [1,0,0,0,0,0|2,0,1]=4 32 B8R1.2 NCC1CCCCO1 CDS006458 [1,0,0,0,0,0|2,0,1]=4 33 B8R1.2 NCC1CCCCO1 CDS006719 [1,0,0,0,0,0|2,0,1]=4 34 B8R1.2 NCC1CCCNC1 CDS013586 [1,0,0,0,0,0|2,0,1]=4 35 B8R1.2 NCC1CCOCC1 CDS003651 [1,0,0,0,0,0|2,0,1]=4 36 B8R1.2 NNC1CCCCC1 S859435 [1,0,0,0,0,0|2,0,0]=3 37 B8R1.2 O=CC1CCCCO1 CDS019507 [1,0,0,0,0,0|1,0,0]=2 38 B8R1.2 O=CC1CCNCC1 CDS013816 [1,0,0,0,0,0|1,0,0]=2 39 B8R1.2 O=CC1CCOCC1 CDS020197 [1,0,0,0,0,0|1,0,0]=2 40 B8R1.2 O=CC1CCSCC1 CDS020250 [1,0,0,0,0,0|1,0,0]=2 41 B8R1.2 OCC1CCCOC1 CDS015486 [1,0,0,0,0,0|1,0,1]=3 42 B8R1.2 ON=C1CCSCC1 SYX00364 [1,0,0,0,0,0|2,0,1]=4 43 B8R1.2 SCC1CCCCC1 CDS020661 [1,0,0,0,0,0|0,1,1]=3 44 B8R1.2 SCN1CCCCC1 S302953 [1,0,0,0,0,0|1,1,1]=4 45 B8R1.2 [C-]#[N+]C1CCOCC1 PH015905 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.13 CC(=O)N1CCC(CC1)N CDS010756 [0,1,0,0,0,0|2,0,0]=3 47 B10R1.13 CC1CCC(CC1)C(C)O PH000605 [0,1,0,0,0,0|1,0,1]=3 48 B10R1.13 CN(C)C1CCC(CC1)N CDS010169 [0,1,0,0,0,0|3,0,0]=4 49 B10R1.13 CN1CCC(CC1)C(=O)O PH009778 [0,1,0,0,0,0|1,0,0]=2 50 B10R1.13 NC1CCC(CC1)C(=O)O CDS000161 [0,1,0,0,0,0|0,0,0]=1 51 B10R1.13 O=C(O)C1CCC(CC1)F MNO000187 [0,1,0,0,0,0|0,0,0]=1 52 B10R1.13 [C@@H]1(CC[C@H](CC1)C(=O)O)O ANV00233 [0,1,0,0,0,0|0,0,0]=1 53 B10R1.15 CC(=C1CCCCC1)C#N T208450 [0,1,0,0,0,0|2,0,1]=4 54 B10R1.15 CC(C=O)C1CCCCC1 PH015130 [0,1,0,0,0,0|1,0,1]=3 55 B10R1.15 CC(CO)C1CCCCC1 PH015232 [0,1,0,0,0,0|1,0,1]=3 56 B10R1.15 CCC(=O)C1CCCNC1 CBR01650 [0,1,0,0,0,0|2,0,0]=3 57 B10R1.15 CCC(=O)N1CCNCC1 CDS004028 [0,1,0,0,0,0|3,0,0]=4 58 B10R1.15 CCC(O)C1CCCCC1 PH000035 [0,1,0,0,0,0|1,0,1]=3 59 B10R1.15 CCC(O)C1CCNCC1 CBR00138 [0,1,0,0,0,0|2,0,1]=4 60 B10R1.15 CNC(=O)C1CCCNC1 CBR00913 [0,1,0,0,0,0|2,0,0]=3 61 B10R1.15 CNC(=O)C1CCCNC1 CDS017102 [0,1,0,0,0,0|2,0,0]=3 62 B10R1.15 CNC(=O)N1CCCCC1 S379557 [0,1,0,0,0,0|2,0,0]=3 63 B10R1.15 CNC(=S)N1CCCCC1 TMT00166 [0,1,0,0,0,0|2,1,0]=4 64 B10R1.15 CNC(C)C1CCCCC1 PH013058 [0,1,0,0,0,0|2,0,1]=4 65 B10R1.15 COC(=O)C1CC=CCC1 EME00035 [0,1,0,0,0,0|0,0,2]=3 66 B10R1.15 COC(=O)C1CNCCO1 CDS024237 [0,1,0,0,0,0|2,0,0]=3 67 B10R1.15 COC(=O)N1CCNCC1 CDS013607 [0,1,0,0,0,0|2,0,0]=3 68 B10R1.15 COC(=O)[C@@H]1CCCNC1 CDS019515 [0,1,0,0,0,0|1,0,0]=2 69 B10R1.15 NCC(=O)N1CCCCC1 CDS002437 [0,1,0,0,0,0|2,0,0]=3 70 B10R1.15 NNC(=O)C1CCCCC1 R703435 [0,1,0,0,0,0|1,0,0]=2 71 B10R1.15 O=C(CBr)N1CCCCC1 CBR00242 [0,1,0,0,0,0|2,0,0]=3 72 B10R1.15 O=C(CI)N1CCCCC1 PH006191 [0,1,0,0,0,0|2,0,0]=3 73 B10R1.28 CC(C)(O)C1CCCCC1 T294985 [0,1,0,0,0,0|1,0,1]=3 74 B10R1.28 CC(C)(O)C1CCCNC1 CBR00013 [0,1,0,0,0,0|2,0,1]=4 75 B10R1.28 NS(=O)(=O)N1CCCCC1 PH010400 [0,1,0,0,0,0|2,0,1]=4 76 B10R1.28 O=S(=O)(O)C1CCCCC1 PH018131 [0,1,0,0,0,0|1,0,0]=2 77 B10R1.61 CC(=O)[C@@H]1CCCC[C@@H]1N PH016419 [0,1,0,0,0,0|1,0,0]=2 78 B10R1.61 CC(O)C1CCCCC1O S362417 [0,1,0,0,0,0|1,0,1]=3 79 B10R1.61 CC1=C(CCCO1)C(=O)O PH006887 [0,1,0,0,0,0|1,0,2]=4 80 B10R1.61 CC1C=CCCC1C(=O)O PH008388 [0,1,0,0,0,0|0,0,2]=3 81 B10R1.61 CC1CNCCC1C(=O)O CDS008293 [0,1,0,0,0,0|1,0,0]=2 82 B10R1.61 NC(=O)C1CCCNC1=O PH007029 [0,1,0,0,0,0|2,0,1]=4 83 B10R1.61 NC(=O)[C@@H]1CC=CC[C@@H]1N BBO000351 [0,1,0,0,0,0|1,0,2]=4 84 B10R1.61 NC(=O)[C@@H]1CCCC[C@@H]1N BBO000407 [0,1,0,0,0,0|1,0,0]=2 85 B10R1.61 N[C@H]1C=CCC[C@H]1C(=O)O BBO000684 [0,1,0,0,0,0|0,0,2]=3 86 B10R1.61 N[C@H]1CC=CC[C@@H]1C(=O)O BBO000678 [0,1,0,0,0,0|0,0,2]=3 87 B10R1.61 N[C@H]1CC=CC[C@H]1C(=O)O BBO000677 [0,1,0,0,0,0|0,0,2]=3 88 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O CDS008979 [0,1,0,0,0,0|0,0,0]=1 89 B10R1.61 O=C(O)C1CCCCC1=O CDS021562 [0,1,0,0,0,0|0,0,1]=2 90 B10R1.61 O=C(O)C1CCCNC1=O CBR01770 [0,1,0,0,0,0|1,0,1]=3 91 B10R1.61 O=C(O)[C@H]1CCCC[C@H]1O R548480 [0,1,0,0,0,0|0,0,0]=1 92 B10R1.113 CC(=O)N1CCCC(C1)N CBR00904 [0,1,0,0,0,0|2,0,0]=3 93 B10R1.113 CC(=O)N1CCCC(C1)O CBR01458 [0,1,0,0,0,0|2,0,0]=3 94 B10R1.113 CN1CCCC(C1)C(=N)N CBR02420 [0,1,0,0,0,0|3,0,0]=4 95 B10R1.113 CN1CCCC(C1)C(=O)N PH013754 [0,1,0,0,0,0|2,0,0]=3 96 B10R1.113 CN1CCCC(C1)C(=O)O CDS003577 [0,1,0,0,0,0|1,0,0]=2 97 B10R1.113 CN1CCCC(C1)C(=O)O CDS015858 [0,1,0,0,0,0|1,0,0]=2 98 B10R1.113 CN1CCNC(C1)C(=O)O CBR02466 [0,1,0,0,0,0|2,0,0]=3 99 B10R1.113 CN1CCOC(C1)C(=O)O CDS009752 [0,1,0,0,0,0|2,0,0]=3 100 B10R1.113 NC(=O)[C@H]1CCC[C@@H](C1)N CDS023691 [0,1,0,0,0,0|1,0,0]=2 101 B10R1.113 NC1CCCC(C1)C(=O)O CDS000338 [0,1,0,0,0,0|0,0,0]=1 102 B10R1.113 O=C(O)C1CNCC(C1)O CDS021813 [0,1,0,0,0,0|1,0,0]=2 103 B10R1.113 O=C1CCCC(N1)C(=O)O CDS003761 [0,1,0,0,0,0|1,0,1]=3 104 B10R1.363 CC(=O)C1(C=CCCC1)C T166812 [0,1,0,0,0,0|1,0,2]=4 105 B10R1.363 CC1(CCCCC1)C(=O)Cl S662380 [0,1,0,0,0,0|1,0,0]=2 106 B10R1.363 CC1(CCCNC1)C(=O)N CBR02426 [0,1,0,0,0,0|2,0,0]=3 107 B10R1.363 CC1(CCCNC1)C(=O)O CBR01687 [0,1,0,0,0,0|1,0,0]=2 108 B10R1.363 CC1(CCCNC1)C(=O)O PHB00204 [0,1,0,0,0,0|1,0,0]=2 109 B10R1.363 CC1(CCNCC1)C(=O)N CBR01691 [0,1,0,0,0,0|2,0,0]=3 110 B10R1.363 CC1(CCNCC1)C(=O)O CBR01543 [0,1,0,0,0,0|1,0,0]=2 111 B10R1.363 C[C@]1(C=CCCC1)C(=O)O T286788 [0,1,0,0,0,0|0,0,2]=3 112 B10R1.363 N=C(N)C1(CCCCC1)O PH016272 [0,1,0,0,0,0|2,0,0]=3 113 B10R1.363 NC(=O)C1(CCCCC1)Cl PH007086 [0,1,0,0,0,0|1,0,0]=2 114 B10R1.363 NC(=O)C1(CCCCC1)N CBR01964 [0,1,0,0,0,0|1,0,0]=2 115 B10R1.363 NC1(CCCCC1)C(=O)O S235024 [0,1,0,0,0,0|0,0,0]=1 116 B10R1.363 O=C(O)C1(CCNCC1)O CBR01688 [0,1,0,0,0,0|1,0,0]=2 117 B10R1.363 OC1(CCCCC1)C(Br)Br PH006099 [0,1,0,0,0,0|2,0,1]=4 118 B8R0.7 C=CCOCCC(=O)O CDS000343 [0,0,1,0,0,0|1,0,2]=4 119 B8R0.7 CC(=O)NCCCCN CDS021099 [0,0,1,0,0,0|3,0,0]=4 120 B8R0.7 CCC/C=C/CC(=O)O CDS000348 [0,0,1,0,0,0|0,0,2]=3 121 B8R0.7 CCCCCCC(C)C S430935 [0,0,1,0,0,0|2,0,1]=4 122 B8R0.7 CCCCCCC(C)Cl S564516 [0,0,1,0,0,0|2,0,1]=4 123 B8R0.7 CCCCCOC(=O)Cl CDS000346 [0,0,1,0,0,0|2,0,0]=3 124 B8R0.7 CCCCOCC(=O)O CDS008145 [0,0,1,0,0,0|1,0,0]=2 125 B8R0.7 CCCC[Hg]OC(=O)C S814512 [0,0,1,0,0,0|3,0,0]=4 126 B8R0.7 CCCNCCC(=O)O OTV000481 [0,0,1,0,0,0|1,0,0]=2 127 B8R0.7 CCSCCCC(=O)O PH008798 [0,0,1,0,0,0|1,0,0]=2 128 B8R0.7 N#CCCNCC(=O)O R436143 [0,0,1,0,0,0|2,0,1]=4 129 B8R0.7 NC(=O)CCCCCBr CDS003086 [0,0,1,0,0,0|2,0,0]=3 130 B8R0.7 NCCCCCC(=O)N CDS015235 [0,0,1,0,0,0|2,0,0]=3 131 B8R0.7 NCCSCCC(=O)O PH011733 [0,0,1,0,0,0|2,0,0]=3 132 B8R0.7 O=C(O)CCNCCO S888699 [0,0,1,0,0,0|2,0,0]=3 133 B8R0.7 O=C(O)CCOCCO CDS021155 [0,0,1,0,0,0|2,0,0]=3 134 B8R0.8 CCC/C=C(\C)/C(=O)O CDS000408 [0,0,1,0,0,0|0,0,2]=3 135 B8R0.8 CCCCC(C)C(=O)Cl PH011486 [0,0,1,0,0,0|1,0,0]=2 136 B8R0.8 CCCCC(C)C(C)O S374199 [0,0,1,0,0,0|1,0,1]=3 137 B8R0.8 CCCCC(N)C(=O)N CDS003890 [0,0,1,0,0,0|2,0,0]=3 138 B8R0.8 CSCCC(O)C(=O)O PH000120 [0,0,1,0,0,0|2,0,0]=3 139 B8R0.8 NCCCC(N)C(=O)O S594881 [0,0,1,0,0,0|2,0,0]=3 140 B8R0.8 [C@H](N)(CSCC)C(=O)O S361615 [0,0,1,0,0,0|2,0,0]=3 141 B8R0.15 CCN(CCO)C(=O)C PH010390 [0,0,1,0,0,0|3,0,0]=4 142 B10R2.61 O=C1CC2CCCC1C2 T289124 [0,0,0,1,0,0|1,0,0]=2 143 B10R2.62 O=C1CC2C=CC1CC2 T287628 [0,0,0,1,0,0|1,0,2]=4 144 B10R2.62 O=C1NC2CCC1CC2 PH001109 [0,0,0,1,0,0|1,0,0]=2 145 B10R2.62 O=C1OC2CCC1CC2 PH008267 [0,0,0,1,0,0|0,0,0]=1 146 B10R2.62 OC1CC2CCC1CC2 PH008493 [0,0,0,1,0,0|1,0,1]=3 147 B10R2.62 [C@H]12CC[C@H](NC1)C(=O)O2 PH016451 [0,0,0,1,0,0|1,0,0]=2 148 B10R2.196 [C@H]12CCCC[C@H]1C2(Cl)Cl T278831 [0,0,0,1,0,0|2,0,1]=4 149 B10R2.320 O=C1NC2C1CC=CC2 T173991 [0,0,0,1,0,0|1,0,2]=4 150 B10R2.320 O=C1NC2C1CCCC2 T281948 [0,0,0,1,0,0|1,0,0]=2 151 B10R2.351 O=C(O)C1C2C1CC=C2 T188301 [0,0,0,1,0,0|0,0,2]=3 152 B8R1.7 CC(C)C1CCCC1 R289671 [0,0,0,0,1,0|2,0,1]=4 153 B8R1.7 N=C(N)C1CCCO1 PH015042 [0,0,0,0,1,0|3,0,0]=4 154 B8R1.7 NC(=O)C1CCCC1 EME00440 [0,0,0,0,1,0|1,0,0]=2 155 B8R1.7 NC(=O)C1CCCN1 CDS008010 [0,0,0,0,1,0|2,0,0]=3 156 B8R1.7 O=C(O)C1C=CCO1 CDS025234 [0,0,0,0,1,0|1,0,2]=4 157 B8R1.7 O=C(O)C1CCNC1 CDS007406 [0,0,0,0,1,0|1,0,0]=2 158 B8R1.7 O=C(O)[C@@H]1CSCN1 PH000111 [0,0,0,0,1,0|2,0,0]=3 159 B8R1.7 S=C([S-])C1CCCN1 R128589 [0,0,0,0,1,0|1,2,0]=4 160 B10R1.18 CC(=CN1CCCCC1)C S354880 [0,0,0,0,0,1|3,0,0]=4 161 B10R1.18 CC(=O)CC1CCCCC1 CDS001548 [0,0,0,0,0,1|1,0,0]=2 162 B10R1.18 CC(=O)CN1CCCCC1 R433675 [0,0,0,0,0,1|2,0,0]=3 163 B10R1.18 CC(=O)CN1CCOCC1 CDS006278 [0,0,0,0,0,1|3,0,0]=4 164 B10R1.18 CC(=O)NC1CCCCC1 PH004244 [0,0,0,0,0,1|1,0,0]=2 165 B10R1.18 CC(=O)NC1CCNCC1 CDS000127 [0,0,0,0,0,1|2,0,0]=3 166 B10R1.18 CC(C)CC1CCCCC1 S564869 [0,0,0,0,0,1|2,0,1]=4 167 B10R1.18 CC(O)CN1CCCCC1 S418854 [0,0,0,0,0,1|2,0,1]=4 168 B10R1.18 CN(C)NC1CCCCC1 PH001375 [0,0,0,0,0,1|3,0,0]=4 169 B10R1.18 N=C(N)NC1CCCCC1 L255009 [0,0,0,0,0,1|2,0,0]=3 170 B10R1.18 N=C(N)SC1CCCCC1 S822655 [0,0,0,0,0,1|2,0,0]=3 171 B10R1.18 NC(=O)CC1CCCCN1 CDS022187 [0,0,0,0,0,1|2,0,0]=3 172 B10R1.18 NC(=O)CN1CCCCC1 OTV000055 [0,0,0,0,0,1|2,0,0]=3 173 B10R1.18 NC(=O)CN1CCNCC1 CDS002931 [0,0,0,0,0,1|3,0,0]=4 174 B10R1.18 NC(=O)NC1CCCCC1 S375047 [0,0,0,0,0,1|1,0,0]=2 175 B10R1.18 NC(=S)NC1CCCCC1 PH002195 [0,0,0,0,0,1|1,1,0]=3 176 B10R1.18 O=C(O)CC1CCCCN1 R409952 [0,0,0,0,0,1|1,0,0]=2 177 B10R1.18 O=C(O)CC1CCCNC1 PH010234 [0,0,0,0,0,1|1,0,0]=2 178 B10R1.18 O=C(O)CC1CCNCC1 CBR01414 [0,0,0,0,0,1|1,0,0]=2 179 B10R1.18 O=C(O)CC1CCNCC1 CDS007853 [0,0,0,0,0,1|1,0,0]=2 180 B10R1.18 O=C(O)CC1CCNCC1 CDS021798 [0,0,0,0,0,1|1,0,0]=2 181 B10R1.18 O=C(O)CC1CCOCC1 CDS006056 [0,0,0,0,0,1|1,0,0]=2 182 B10R1.18 O=C(O)CN1CCCCC1 CDS005123 [0,0,0,0,0,1|1,0,0]=2 183 B10R1.18 O=C(O)CN1CCCCC1 L481130 [0,0,0,0,0,1|1,0,0]=2 184 B10R1.18 O=C(O)CN1CCOCC1 ANV00112 [0,0,0,0,0,1|2,0,0]=3 185 B10R1.18 O=C(O)CN1CCOCC1 CDS007579 [0,0,0,0,0,1|2,0,0]=3 186 B10R1.18 OB(O)CC1CCCCC1 CDS004056 [0,0,0,0,0,1|1,0,1]=3 187 B10R1.348 CN(C)C1CCCNCC1 CBR01719 [0,0,0,0,0,1|3,0,0]=4 188 B10R1.348 CN(C)[C@H]1CCCCNC1 CBR01732 [0,0,0,0,0,1|3,0,0]=4 189 B10R1.348 NC(=S)N1CCCCCC1 CBR01182 [0,0,0,0,0,1|2,1,0]=4 190 B10R1.348 O=C(O)C1CCC=CCC1 T165824 [0,0,0,0,0,1|0,0,1]=2 191 B10R1.348 O=[N+]([O-])C1CCCCCC1 S919098 [0,0,0,0,0,1|1,0,1]=3 192 B10R1.348 OB(O)C1=CCCCCC1 CDS010279 [0,0,0,0,0,1|1,0,2]=4 193 B7R0.1 C(=O)NCCCOC S363286 [1,0,1,0,0,0|2,0,0]=4 194 B7R0.1 C=CCCCCCO S303445 [1,0,1,0,0,0|2,0,0]=4 195 B7R0.1 CCCCCC[Hg]Cl S572519 [1,0,1,0,0,0|2,0,0]=4 196 B7R0.1 CCCCCON=O CDS000385 [1,0,1,0,0,0|2,0,0]=4 197 B7R0.1 CCCCSCCO S527408 [1,0,1,0,0,0|1,0,1]=4 198 B7R0.1 CNCCCCCO PH007838 [1,0,1,0,0,0|1,0,1]=4 199 B7R0.1 COCCCCCO PH003271 [1,0,1,0,0,0|1,0,1]=4 200 B7R0.4 CCCCCC(=N)N CBR01197 [1,0,1,0,0,0|2,0,0]=4 201 B7R0.4 CCCCNC(=O)C CDS013581 [1,0,1,0,0,0|2,0,0]=4 202 B7R0.4 CCOCCC(=O)O S448745 [1,0,1,0,0,0|1,0,0]=3 203 B7R0.4 CNCCCC(=O)O PH006886 [1,0,1,0,0,0|1,0,0]=3 204 B7R0.4 COCCCC(=O)O CDS021485 [1,0,1,0,0,0|1,0,0]=3 205 B7R0.4 CSCCCC(=O)O OTV000795 [1,0,1,0,0,0|1,0,0]=3 206 B7R0.4 N#CCCCC(=O)O CDS007802 [1,0,1,0,0,0|1,0,1]=4 207 B7R0.4 NC(=O)CCCCO S441481 [1,0,1,0,0,0|2,0,0]=4 208 B7R0.4 NCCNCC(=O)O CDS000144 [1,0,1,0,0,0|2,0,0]=4 209 B7R0.4 NCCOCC(=O)O T160229 [1,0,1,0,0,0|2,0,0]=4 210 B7R0.3 C(=O)C(=C)CCCC R425885 [1,0,1,0,0,0|0,0,2]=4 211 B7R0.3 CCCN[C@@H](C)CO PH014617 [1,0,1,0,0,0|1,0,1]=4 212 B7R0.3 CCCN[C@H](C)CO PH014618 [1,0,1,0,0,0|1,0,1]=4 213 B7R0.5 CCCC(C)C(C)O S433373 [1,0,1,0,0,0|1,0,1]=4 214 B7R0.5 CCN[C@@H](C)C(=O)N CDS021310 [1,0,1,0,0,0|2,0,0]=4 215 B7R0.5 CCOC(C)C(=O)O CBR01494 [1,0,1,0,0,0|1,0,0]=3 216 B7R0.5 CCSC(C)C(=O)O CBR01403 [1,0,1,0,0,0|1,0,0]=3 217 B7R0.5 CNCC(C)C(=O)O CBR01429 [1,0,1,0,0,0|1,0,0]=3 218 B7R0.5 CSC[C@@H](C)C(=O)O PH009560 [1,0,1,0,0,0|1,0,0]=3 219 B7R0.5 NCCC(N)C(=O)O PH018181 [1,0,1,0,0,0|2,0,0]=4 220 B7R0.12 CCN[C@H](CC)CO PH018891 [1,0,1,0,0,0|1,0,1]=4 221 B7R0.15 C=C(C)C(CC)CC R289272 [1,0,1,0,0,0|2,0,0]=4 222 B7R0.15 CCC(CC)C(=O)C PH016168 [1,0,1,0,0,0|1,0,0]=3 223 B7R0.15 CCC(CC)C(=O)N S378488 [1,0,1,0,0,0|1,0,0]=3 224 B7R0.15 CCC(CC)C(C)O S361860 [1,0,1,0,0,0|1,0,1]=4 225 B7R0.15 CCC(NN)C(=O)O PH009006 [1,0,1,0,0,0|2,0,0]=4 226 B7R0.15 CCC(NO)C(=O)O S283789 [1,0,1,0,0,0|2,0,0]=4 227 B7R0.15 CCN(CC)C(=O)[NH-] S586188 [1,0,1,0,0,0|2,0,0]=4 228 B7R1.3 BrC1CCSCC1 CBR02203 [2,0,0,0,0,0|2,0,0]=4 229 B7R1.3 NC1CCCCC1 S512877 [2,0,0,0,0,0|1,0,0]=3 230 B7R1.3 NC1CCCCC1 S669822 [2,0,0,0,0,0|1,0,0]=3 231 B7R1.3 NC1CCCCC1 S926507 [2,0,0,0,0,0|1,0,0]=3 232 B7R1.3 NC1CCCOC1 CDS009128 [2,0,0,0,0,0|2,0,0]=4 233 B7R1.3 NC1CCOCC1 CDS006264 [2,0,0,0,0,0|2,0,0]=4 234 B7R1.3 O=C1CCCNC1 CDS006090 [2,0,0,0,0,0|1,0,1]=4 235 B7R1.3 O=S1CCCSC1 S885002 [2,0,0,0,0,0|2,0,0]=4 236 B7R1.3 O=S1CCNCC1 CDS019871 [2,0,0,0,0,0|2,0,0]=4 237 B7R1.3 OC1CCCSC1 S461172 [2,0,0,0,0,0|1,0,0]=3 238 B7R1.3 SC1CCNCC1 PHB00269 [2,0,0,0,0,0|1,1,0]=4 239 B7R1.3 SC1CCOCC1 CDS023754 [2,0,0,0,0,0|1,1,0]=4 240 B9R0.2 CCCC/C=C/CC(=O)O CDS000466 [0,1,1,0,0,0|0,0,1]=3 241 B9R0.2 CCCNOCCC(=O)C S581321 [0,1,1,0,0,0|2,0,0]=4 242 B9R0.2 COCCCCCC(=O)O CBR00492 [0,1,1,0,0,0|0,0,0]=2 243 B9R0.4 CCCCC(=O)CC(=O)C CDS001230 [0,1,1,0,0,0|1,0,1]=4 244 B9R0.4 CCCCC(=O)CC(=O)C S839590 [0,1,1,0,0,0|1,0,1]=4 245 B9R0.4 CCCCC(N)CC(=O)O CBR00513 [0,1,1,0,0,0|0,0,0]=2 246 B9R0.38 CCCCCCS(=O)(=O)[O-] R426628 [0,1,1,0,0,0|1,0,1]=4 247 B9R0.46 CCCCC#CC(=O)OC PH000094 [0,1,1,0,0,0|0,0,2]=4 248 B9R0.46 CCCCCC/C(=N/O)/C S648302 [0,1,1,0,0,0|1,0,0]=3 249 B9R0.46 CCCCCNC(=O)CCl S627690 [0,1,1,0,0,0|2,0,0]=4 250 B9R0.46 COC(=O)CCCCCBr S125334 [0,1,1,0,0,0|1,0,0]=3 251 B9R0.47 [C@@H](N)(CSCCO)C(=O)O PH010771 [0,1,1,0,0,0|2,0,0]=4 252 B9R0.48 CCC[C@H](C)CCC(=O)O PH008003 [0,1,1,0,0,0|0,0,0]=2 253 B9R0.6 CCCC(O)C(C)C(C)O S405051 [0,1,1,0,0,0|1,0,1]=4 254 B9R0.7 C[S+](C)CCC(N)C(=O)O S582026 [0,1,1,0,0,0|2,0,0]=4 255 B9R0.7 C[S+](C)CCC(N)C(=O)O S859427 [0,1,1,0,0,0|2,0,0]=4 256 B9R0.13 CCCC/C(=N\O)/C(=O)O PH007213 [0,1,1,0,0,0|1,0,1]=4 257 B9R0.42 CCN(C)CC(C)C(=O)O CBR01343 [0,1,1,0,0,0|1,0,0]=3 258 B9R0.51 CCCCC(C)(C)C(=O)O PH000318 [0,1,1,0,0,0|0,0,0]=2 259 B9R0.15 C=CCC(CCC)C(=O)O PH004878 [0,1,1,0,0,0|0,0,1]=3 260 B9R0.15 CC/C=C(\CCC)/C(=O)O PH002965 [0,1,1,0,0,0|0,0,1]=3 261 B9R0.15 CCCC(CCC)C(=O)Cl CDS001452 [0,1,1,0,0,0|1,0,0]=3 262 B9R0.29 CCC(C)C(NC)C(=O)O S783234 [0,1,1,0,0,0|1,0,0]=3 263 B9R0.29 CCC(O)C(CC)[N+](=O)[O-] S848867 [0,1,1,0,0,0|1,0,1]=4 264 B9R0.39 [C@@H](CC)(NC(=O)C)C(=O)O S777684 [0,1,1,0,0,0|1,0,1]=4 265 B9R1.1 CCC1CCC(CC1)N CDS002619 [1,1,0,0,0,0|1,0,1]=4 266 B9R1.1 CCC1CCC(CC1)O S504939 [1,1,0,0,0,0|1,0,1]=4 267 B9R1.1 CC[C@H]1CC[C@@H](CC1)O CDS000137 [1,1,0,0,0,0|1,0,1]=4 268 B9R1.1 COC1CCC(CC1)N CDS024278 [1,1,0,0,0,0|2,0,0]=4 269 B9R1.1 O=C1CCC(CC1)CO CDS017814 [1,1,0,0,0,0|0,0,2]=4 270 B9R1.1 OC[C@H]1CC[C@@H](CC1)O T184683 [1,1,0,0,0,0|0,0,1]=3 271 B9R1.1 OC[C@H]1CC[C@H](CC1)O T184624 [1,1,0,0,0,0|0,0,1]=3 272 B9R1.2 C(=O)C1=CC(CCC1)C S895652 [1,1,0,0,0,0|0,0,2]=4 273 B9R1.2 CC1CCCC(C1)CBr CDS021385 [1,1,0,0,0,0|1,0,1]=4 274 B9R1.8 COCC1CCCCN1 CDS005671 [1,1,0,0,0,0|1,0,1]=4 275 B9R1.8 NCCC1CCCCC1 CDS013643 [1,1,0,0,0,0|1,0,1]=4 276 B9R1.8 OCCC1CCCCO1 T177393 [1,1,0,0,0,0|1,0,1]=4 277 B9R1.15 C(=O)C1CC=CCC1C S430153 [1,1,0,0,0,0|0,0,2]=4 278 B9R1.15 CC\1CCCC/C1=N\O PH001354 [1,1,0,0,0,0|1,0,1]=4 279 B9R1.15 CN[C@@H]1CCCC[C@H]1O BBO000382 [1,1,0,0,0,0|2,0,0]=4 280 B9R1.15 N#C[C@@H]1CCCC[C@H]1O PH017201 [1,1,0,0,0,0|1,0,1]=4 281 B9R1.15 NC[C@@H]1CCCC[C@@H]1N BBO000355 [1,1,0,0,0,0|1,0,1]=4 282 B9R1.15 NC[C@@H]1CCCC[C@H]1N BBO000357 [1,1,0,0,0,0|1,0,1]=4 283 B9R1.15 NC[C@H]1CCCC[C@H]1O BBO000725 [1,1,0,0,0,0|1,0,1]=4 284 B9R1.15 NC[C@H]1CCCC[C@H]1O CDS006535 [1,1,0,0,0,0|1,0,1]=4 285 B9R1.15 OC[C@H]1CCNC[C@H]1O CBR01689 [1,1,0,0,0,0|1,0,1]=4 286 B9R1.118 CC1(CCNCC1)CO CBR01674 [1,1,0,0,0,0|1,0,1]=4 287 B9R1.118 CCC1(CCCCC1)O S408468 [1,1,0,0,0,0|1,0,1]=4 288 B9R1.118 NC1(CCOCC1)CO PHB00225 [1,1,0,0,0,0|1,0,1]=4 289 B9R1.11 CCC(=O)C1CCOC1 CDS024301 [0,1,0,0,1,0|2,0,0]=4 290 B9R1.11 CNC(=O)C1CCCN1 CDS023077 [0,1,0,0,1,0|2,0,0]=4 291 B9R1.11 COC(=O)C1CCCN1 CDS003215 [0,1,0,0,1,0|1,0,0]=3 292 B9R1.11 COC(=O)C1CCCN1 CDS004943 [0,1,0,0,1,0|1,0,0]=3 293 B9R1.11 COC(=O)[C@@H]1CCOC1 PHB00042 [0,1,0,0,1,0|1,0,0]=3 294 B9R1.11 NNC(=O)C1CCCC1 CDS005918 [0,1,0,0,1,0|1,0,0]=3 295 B9R1.11 NNC(=O)C1CCCO1 CDS015210 [0,1,0,0,1,0|2,0,0]=4 296 B9R1.11 O=C(CCl)N1CCCC1 OTV000117 [0,1,0,0,1,0|2,0,0]=4 297 B9R1.35 CC(=O)N1CCC(C1)O CDS023189 [0,1,0,0,1,0|2,0,0]=4 298 B9R1.35 CC(=O)N1CC[C@@H](C1)O CDS023190 [0,1,0,0,1,0|2,0,0]=4 299 B9R1.35 N[C@@H]1C=C[C@@H](C1)C(=O)O CDS007467 [0,1,0,0,1,0|0,0,2]=4 300 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O CDS009904 [0,1,0,0,1,0|0,0,0]=2 301 B9R1.35 O=C(O)[C@@H]1CC(CN1)O PH018681 [0,1,0,0,1,0|1,0,0]=3 302 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O CDS009161 [0,1,0,0,1,0|1,0,0]=3 303 B9R1.163 CC1(CCCC1)C(=O)N S11585 [0,1,0,0,1,0|1,0,0]=3 304 B9R1.163 CC1(OCCO1)C(=O)O CBR01802 [0,1,0,0,1,0|2,0,0]=4 305 B9R1.163 O=C(O)C1(CCCC1)O CBR00072 [0,1,0,0,1,0|0,0,0]=2 306 B9R1.163 O=C(O)C1(CCSC1)O PH001084 [0,1,0,0,1,0|1,0,0]=3 307 B11R1.20 CC(=O)NC1CCC(CC1)O CDS000512 [0,1,0,0,0,1|1,0,0]=3 308 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)N PH018847 [0,1,0,0,0,1|1,0,0]=3 309 B11R1.20 CC(=O)OC1CCC(CC1)O S722197 [0,1,0,0,0,1|1,0,0]=3 310 B11R1.20 CC1CCC(=CC(=O)O)CC1 S701572 [0,1,0,0,0,1|0,0,1]=3 311 B11R1.20 CC1CCN(CC1)CC(=O)N R433535 [0,1,0,0,0,1|2,0,0]=4 312 B11R1.20 CN1CCC(=CC(=O)O)CC1 CBR00374 [0,1,0,0,0,1|1,0,1]=4 313 B11R1.20 CN1CCC(CC1)OC(=O)N PH012385 [0,1,0,0,0,1|2,0,0]=4 314 B11R1.20 NC1CCN(CC1)CC(=O)O CBR00672 [0,1,0,0,0,1|1,0,0]=3 315 B11R1.36 CC(=O)C(C)C1CCCCC1 S497606 [0,1,0,0,0,1|1,0,0]=3 316 B11R1.36 CC(C(=O)O)C1CCCNC1 PH007819 [0,1,0,0,0,1|1,0,0]=3 317 B11R1.36 CC(C(=O)O)C1CCNCC1 CBR01409 [0,1,0,0,0,1|1,0,0]=3 318 B11R1.36 CC(C(=O)O)N1CCOCC1 CBR00946 [0,1,0,0,0,1|2,0,0]=4 319 B11R1.36 CC(O)C(C)C1CCCCC1 R228133 [0,1,0,0,0,1|1,0,1]=4 320 B11R1.36 CC(O)C(C)C1CCCCC1 S325317 [0,1,0,0,0,1|1,0,1]=4 321 B11R1.36 NC(C(=O)O)C1C=CCCC1 PH000749 [0,1,0,0,0,1|0,0,2]=4 322 B11R1.36 NC(C(=O)O)C1CCOCC1 CDS008666 [0,1,0,0,0,1|1,0,0]=3 323 B11R1.36 O=C(O)C(=O)N1CCOCC1 CDS023248 [0,1,0,0,0,1|2,0,0]=4 324 B11R1.40 C(=C1CCCCC1)C(=O)OC T184454 [0,1,0,0,0,1|0,0,1]=3 325 B11R1.40 CCC(=O)NC1CCCCC1 PH004228 [0,1,0,0,0,1|1,0,0]=3 326 B11R1.40 CNC(=O)NC1CCCCC1 S604569 [0,1,0,0,0,1|1,0,0]=3 327 B11R1.40 CNC(=S)NC1CCCCC1 PH010046 [0,1,0,0,0,1|1,1,0]=4 328 B11R1.40 COC(=O)CC1CCNCC1 CDS003616 [0,1,0,0,0,1|1,0,0]=3 329 B11R1.40 COC(=O)CN1CCNCC1 CBR01724 [0,1,0,0,0,1|2,0,0]=4 330 B11R1.40 NNC(=S)NC1CCCCC1 CDS004498 [0,1,0,0,0,1|1,1,0]=4 331 B11R1.40 O=C(CBr)OC1CCCCC1 PH001483 [0,1,0,0,0,1|1,0,0]=3 332 B11R1.40 O=C(CCl)OC1CCCCC1 PH009865 [0,1,0,0,0,1|1,0,0]=3 333 B11R1.40 O=C(CI)NC1CCCCC1 PH006183 [0,1,0,0,0,1|1,0,0]=3 334 B11R1.40 O=C(NO)NC1CCCCC1 PH008314 [0,1,0,0,0,1|0,0,0]=2 335 B11R1.40 [NH4]SC(=S)NC1CCCCC1 S537039 [0,1,0,0,0,1|0,2,0]=4 336 B11R1.86 CC(=O)CN1CCCCC1C R433667 [0,1,0,0,0,1|2,0,0]=4 337 B11R1.86 CC1CCCCC1CC(=O)O L127892 [0,1,0,0,0,1|0,0,0]=2 338 B11R1.86 CC\1CCCC/C1=C\C(=O)O L128546 [0,1,0,0,0,1|0,0,1]=3 339 B11R1.86 CN1CCCNC1CC(=O)O PH016926 [0,1,0,0,0,1|2,0,0]=4 340 B11R1.157 CC1CCCN(C1)CC(=O)O CBR00247 [0,1,0,0,0,1|1,0,0]=3 341 B11R1.157 O=C(O)CC1CCCC(=O)C1 PH018197 [0,1,0,0,0,1|0,0,1]=3 342 B11R1.509 NS(=O)(=O)NC1CCCCC1 PH000616 [0,1,0,0,0,1|1,0,1]=4 343 B11R1.928 CC(=O)NC1(CCCCC1)C PH011306 [0,1,0,0,0,1|1,0,0]=3 344 B11R1.928 NC1(CCOCC1)CC(=O)O CBR02168 [0,1,0,0,0,1|1,0,0]=3 345 B11R1.928 O=C(O)CC1(CCCCC1)O CDS001976 [0,1,0,0,0,1|0,0,0]=2 346 B11R1.143 CN1CCCCCC1C(=O)O CBR00944 [0,1,0,0,0,1|0,0,0]=2 347 B11R1.143 O=C1CCCCCC1[N+](=O)[O-] T152412 [0,1,0,0,0,1|1,0,1]=4 348 B11R1.737 O=C(O)C1(CCCCCC1)O S459178 [0,1,0,0,0,1|0,0,0]=2 349 B11R1.852 O=C(CCl)N1CCCCCC1 PH010548 [0,1,0,0,0,1|2,0,0]=4 350 B11R1.1121 O=S(=O)(O)C1CCCCCC1 PH016292 [0,1,0,0,0,1|1,0,0]=3 351 B11R1.3 CCN1CCC(CC1)C(=O)O CBR00745 [0,2,0,0,0,0|1,0,0]=3 352 B11R1.3 NCC1CCC(CC1)C(=O)O S429554 [0,2,0,0,0,0|0,0,0]=2 353 B11R1.19 CC1CCC(CC1)S(=O)(=O)[O-] PH016281 [0,2,0,0,0,0|1,0,1]=4 354 B11R1.22 CC1CCN(CC1)C(=O)CCl PH010560 [0,2,0,0,0,0|2,0,0]=4 355 B11R1.22 CN1CCC(CC1)C(=O)NN CBR01645 [0,2,0,0,0,0|2,0,0]=4 356 B11R1.22 COC(=O)C1CCC(CC1)C PH001309 [0,2,0,0,0,0|0,0,0]=2 357 B11R1.220 CN1CCC(CC1)(C)C(=O)O T310751 [0,2,0,0,0,0|1,0,0]=3 358 B11R1.220 CN1CCC(CC1)(F)C(=O)O PH019046 [0,2,0,0,0,0|1,0,0]=3 359 B11R1.220 CN1CCC(CC1)(N)C(=O)O CBR01660 [0,2,0,0,0,0|1,0,0]=3 360 B11R1.220 CN1CCC(CC1)(O)C(=O)O CBR01821 [0,2,0,0,0,0|1,0,0]=3 361 B11R1.727 C[C@@H](O)C1CCC(CC1)(C)C CDS024512 [0,2,0,0,0,0|1,0,1]=4 362 B11R1.7 O=S(=O)(CCl)C1CCCCC1 T300756 [0,2,0,0,0,0|1,0,1]=4 363 B11R1.12 NCC(CO)C1CCCCC1 PH015132 [0,2,0,0,0,0|1,0,1]=4 364 B11R1.16 CCCC(=O)C1CCNCC1 CBR00415 [0,2,0,0,0,0|2,0,0]=4 365 B11R1.16 CCCC(O)C1CCCCC1 S447005 [0,2,0,0,0,0|1,0,1]=4 366 B11R1.16 CCOC(=O)C1CNCCO1 CDS014275 [0,2,0,0,0,0|2,0,0]=4 367 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 CDS003427 [0,2,0,0,0,0|1,0,0]=3 368 B11R1.16 NC(CCO)C1CCCCC1 BBO000388 [0,2,0,0,0,0|1,0,1]=4 369 B11R1.16 NC(CCO)C1CCCCC1 BBO000750 [0,2,0,0,0,0|1,0,1]=4 370 B11R1.23 CC1CCCN(C1)C(=O)CCl PH009869 [0,2,0,0,0,0|2,0,0]=4 371 B11R1.23 COC(=O)C1CCCN(C1)C PH014092 [0,2,0,0,0,0|1,0,0]=3 372 B11R1.23 COC(=O)[C@@H]1C[C@@H](CCN1)C PH019376 [0,2,0,0,0,0|1,0,0]=3 373 B11R1.222 CC1CCCCN1C(=O)CCl PH011442 [0,2,0,0,0,0|2,0,0]=4 374 B11R1.222 COC(=O)C1CCCCC1O S764612 [0,2,0,0,0,0|0,0,0]=2 375 B11R1.222 COC(=O)C1COCCN1C PH018911 [0,2,0,0,0,0|2,0,0]=4 376 B11R1.222 COC(=O)C1CSCCC1=O T162191 [0,2,0,0,0,0|1,0,1]=4 377 B11R1.222 COC(=O)C1NCCCC1O PH015818 [0,2,0,0,0,0|1,0,0]=3 378 B11R1.878 CNC(=O)C1(CCCNC1)C CBR02419 [0,2,0,0,0,0|2,0,0]=4 379 B11R1.878 COC(=O)C1(CCCCC1)N CDS013883 [0,2,0,0,0,0|0,0,0]=2 380 B11R1.878 COC(=O)C1(CCCCC1)O S39366 [0,2,0,0,0,0|0,0,0]=2 381 B11R1.878 COC(=O)C1(CCCCN1)C CBR01528 [0,2,0,0,0,0|1,0,0]=3 382 B11R1.878 COC(=O)C1(CCCNC1)C CBR01681 [0,2,0,0,0,0|1,0,0]=3 383 B11R1.878 COC(=O)C1(CCCNC1)C PHB00205 [0,2,0,0,0,0|1,0,0]=3 384 B11R1.878 COC(=O)C1(CCNCC1)C CBR01555 [0,2,0,0,0,0|1,0,0]=3 385 B11R1.878 COC(=O)C1(CCOCC1)F PHB00231 [0,2,0,0,0,0|1,0,0]=3 386 B11R1.878 COC(=O)C1(CCOCC1)N PHB00282 [0,2,0,0,0,0|1,0,0]=3 387 B11R1.878 COC(=O)C1(CCOCC1)O CDS021185 [0,2,0,0,0,0|1,0,0]=3 388 B11R1.878 COC(=O)C1(CCOCC1)O PHB00297 [0,2,0,0,0,0|1,0,0]=3 389 B11R1.878 O=C(CO)C1(CCCCC1)O T273163 [0,2,0,0,0,0|0,0,0]=2 390 B11R1.573 O=S(=O)([O-])C1(CCCCC1)O S510300 [0,2,0,0,0,0|1,0,1]=4 391 B11R1.156 CC(=O)N1C(CCCC1C)C PH000406 [0,2,0,0,0,0|2,0,0]=4 392 B11R1.74 O=C1CC(=O)CC(C1)C(=O)O T172553 [0,2,0,0,0,0|0,0,2]=4 393 B11R1.1074 CCC1(CCCCC1)C(=O)N PH008848 [0,2,0,0,0,0|1,0,0]=3 394 B11R1.1074 CCC1(CCCNC1)C(=O)O CBR02413 [0,2,0,0,0,0|1,0,0]=3 395 B11R1.1074 CCC1(CCNCC1)C(=O)O CBR01341 [0,2,0,0,0,0|1,0,0]=3 396 B11R1.1074 N#CC1(CCOCC1)C(=O)O CDS009722 [0,2,0,0,0,0|1,0,0]=3 397 B9R1.13 CC(=O)CC1CCCC1 L162353 [0,0,1,1,0,0|1,0,0]=3 398 B9R1.13 CC(=O)OC1CCCC1 CDS018837 [0,0,1,1,0,0|2,0,0]=4 399 B9R1.13 NC(=O)NC1CCCC1 S345148 [0,0,1,1,0,0|2,0,0]=4 400 B9R1.13 O=C(Cl)CC1CCCC1 CDS001438 [0,0,1,1,0,0|1,0,0]=3 401 B9R1.13 O=C(O)C=C1CCCC1 S757934 [0,0,1,1,0,0|0,0,2]=4 402 B9R1.13 O=C(O)CC1CCCO1 CDS001898 [0,0,1,1,0,0|1,0,0]=3 403 B9R1.13 O=C(O)CN1CCCC1 ANV00142 [0,0,1,1,0,0|1,0,0]=3 404 B9R1.13 O=C(O)CN1CCCC1 L481092 [0,0,1,1,0,0|1,0,0]=3 405 B9R1.148 CC1(CCCCCC1)O S411949 [0,0,1,1,0,0|1,0,1]=4 406 B9R1.5 N[C@@H]1CCCCNC1=O CDS006947 [0,0,1,1,0,0|2,0,0]=4 407 B9R1.112 N[C@@H](CC1CC1)C(=O)O CDS007244 [0,0,1,1,0,0|1,0,0]=3 408 B9R1.33 C=CCC1CCOC1=O T230685 [0,0,1,1,0,0|0,0,2]=4 409 B9R1.33 NCCN1CCOC1=O CBR01024 [0,0,1,1,0,0|2,0,0]=4 410 B9R1.33 O=C1OCCN1CCO CDS013723 [0,0,1,1,0,0|2,0,0]=4 411 B9R1.90 CCC1NC(=O)C1CC T173827 [0,0,1,1,0,0|1,0,0]=3 412 B9R1.119 CCC1(COC1)C(=O)O SYX00406 [0,0,1,1,0,0|1,0,0]=3 413 B9R1.119 NC(=O)C1(CCC1)CO CBR00172 [0,0,1,1,0,0|2,0,0]=4 414 B9R1.179 COCC1(CC1)C(=O)O CDS008272 [0,0,1,1,0,0|1,0,0]=3 415 B9R2.123 C1(C2C1CCCC2)C T180793 [1,0,0,1,0,0|1,0,1]=4 416 B9R2.7 [C@H]12CCC[C@H]1C(=O)N2 T191981 [0,0,0,1,1,0|1,0,0]=3 417 B9R2.39 C=C1CC2CCC1C2 R229288 [0,0,0,1,1,0|2,0,0]=4 418 B11R2.10 O=C1C=C2CCCCC2C1 S58549 [0,0,0,1,0,1|1,0,1]=4 419 B11R2.10 O=C1CC2CC=CC[C@@H]2O1 S330272 [0,0,0,1,0,1|0,0,2]=4 420 B11R2.10 S=C1NC2CCCCC2N1 R703389 [0,0,0,1,0,1|1,1,0]=4 421 B11R2.10 [C@H]12CCCC[C@@H]1CC(=O)N2 T299146 [0,0,0,1,0,1|1,0,0]=3 422 B11R2.678 O=C1CC2CCCC(C1)C2 T293415 [0,0,0,1,0,1|1,0,0]=3 423 B11R2.48 O=C1N[C@H]2CC[C@@H]1CNC2 CBR01818 [0,0,0,1,0,1|1,0,0]=3 424 B11R2.68 O=C1O[C@H]2C[C@@H]1CC[C@@H]2I PH016401 [0,1,0,1,0,0|0,0,0]=2 425 B11R2.1 O=C1CCC2C1CCCC2 T181331 [0,1,0,1,0,0|1,0,0]=3 426 B11R2.1 O=C1NN=C2C1CCCC2 R448818 [0,1,0,1,0,0|1,0,1]=4 427 B11R2.1 O=C1OC[C@H]2[C@@H]1CCOC2 PH016417 [0,1,0,1,0,0|1,0,0]=3 428 B11R2.1 [C@@H]12CCCC[C@@H]1C(=O)CC2 T181420 [0,1,0,1,0,0|1,0,0]=3 429 B11R2.40 OC1(CC1)C2CCCCC2 CDS024147 [0,1,0,1,0,0|1,0,1]=4 430 B11R2.54 [C@H]12OCCC[C@H]1C(=O)C2=C T219312 [0,1,0,1,0,0|2,0,0]=4 431 B11R2.164 O/N=C\1/CN2CCC1CC2 PH008412 [0,1,0,1,0,0|2,0,0]=4 432 B11R2.367 CC1C(=O)C2CCN1CC2 PH008842 [0,1,0,1,0,0|2,0,0]=4 433 B11R2.368 O=C1C(=O)C2CCCC1C2 T247952 [0,1,0,1,0,0|0,0,1]=3 434 B11R2.845 CC(=O)C1CC2CCC1C2 S240249 [0,1,0,1,0,0|1,0,0]=3 435 B11R2.845 O=C(O)C1CC2C=CC1C2 S181285 [0,1,0,1,0,0|0,0,2]=4 436 B11R2.845 O=C(O)C1CC2CCC1C2 S37738 [0,1,0,1,0,0|0,0,0]=2 437 B11R2.845 O=C(O)[C@H]1C[C@@H]2CC[C@H]1N2 BBO000411 [0,1,0,1,0,0|0,0,0]=2 438 B11R2.845 O=C(O)[C@H]1N[C@@H]2CC[C@H]1C2 CDS019191 [0,1,0,1,0,0|1,0,0]=3 439 B11R2.845 [C@@H]12C=C[C@@H](C1)[C@H](C2)C(=O)O S662321 [0,1,0,1,0,0|0,0,2]=4 440 B11R3.19 OC1CC2CC1C3C2C3 T226092 [0,0,0,2,0,0|1,0,1]=4 441 B7R1.1 BrCC1CCCC1 CDS005521 [1,0,0,0,1,0|1,0,1]=4 442 B7R1.1 CC=C1CCCC1 S431559 [1,0,0,0,1,0|1,0,1]=4 443 B7R1.1 CNC1CCCC1 CDS004583 [1,0,0,0,1,0|2,0,0]=4 444 B7R1.1 NCC1CCCC1 SYX00193 [1,0,0,0,1,0|1,0,1]=4 445 B7R1.1 O=CC1CCCO1 CDS005466 [1,0,0,0,1,0|1,0,0]=3 446 B7R1.1 OCC1CCCN1 CDS000339 [1,0,0,0,1,0|1,0,1]=4 447 B7R1.18 CC(O)C1CCC1 CDS021460 [0,0,0,0,2,0|1,0,1]=4 448 B7R1.18 NC(=O)C1CCC1 S680745 [0,0,0,0,2,0|1,0,0]=3 449 B7R1.18 NC(=O)C1CNC1 PHB00032 [0,0,0,0,2,0|2,0,0]=4 450 B7R1.18 O=C(O)C1CCN1 CDS008419 [0,0,0,0,2,0|1,0,0]=3 451 B9R0.14 CCCC(=CC(=O)O)CC S361712 [0,0,1,0,0,1|0,0,1]=3 452 B9R0.14 CCCC(CC)NC(=O)N S502553 [0,0,1,0,0,1|1,0,0]=3 453 B9R1.89 C(=O)N1CCCCCC1 S430455 [1,0,0,0,0,1|1,0,0]=3 454 B9R1.89 CCC1CCCNCC1 CBR01788 [1,0,0,0,0,1|1,0,1]=4 455 B9R1.89 CNC1CCCCCC1 CBR00882 [1,0,0,0,0,1|2,0,0]=4 456 B9R1.89 O=CC1CCCCCC1 PH015086 [1,0,0,0,0,1|0,0,0]=2 457 B9R1.89 OCC1CNCCCO1 CDS020100 [1,0,0,0,0,1|1,0,1]=4 458 B9R1.89 OCC1CNCCOC1 PH019466 [1,0,0,0,0,1|1,0,1]=4 459 B11R1.91 C=C(C)CNC1CCCCC1 PH012104 [0,0,0,0,0,2|2,0,0]=4 460 B11R1.91 CC(=O)CCN1CCCCC1 S429961 [0,0,0,0,0,2|2,0,0]=4 461 B11R1.91 CC(=O)NCC1CCCNC1 CBR01926 [0,0,0,0,0,2|2,0,0]=4 462 B11R1.91 CC(=O)NCC1CCNCC1 CBR01056 [0,0,0,0,0,2|2,0,0]=4 463 B11R1.91 CC(=O)OCC1CCCCO1 S364959 [0,0,0,0,0,2|2,0,0]=4 464 B11R1.91 CC(O)CNC1CCCCC1 PH010876 [0,0,0,0,0,2|1,0,1]=4 465 B11R1.91 CC(O)CNC1CCCCC1 S509108 [0,0,0,0,0,2|1,0,1]=4 466 B11R1.91 NC(=O)CCC1CCCCC1 EME00450 [0,0,0,0,0,2|1,0,0]=3 467 B11R1.91 NC(=O)CCC1CCCNC1 CBR00857 [0,0,0,0,0,2|2,0,0]=4 468 B11R1.91 NC(=O)CCC1CCNCC1 CBR02356 [0,0,0,0,0,2|2,0,0]=4 469 B11R1.91 NC(=O)COC1CCCNC1 PH019145 [0,0,0,0,0,2|2,0,0]=4 470 B11R1.91 NC(=O)NCC1CCCCC1 S517046 [0,0,0,0,0,2|1,0,0]=3 471 B11R1.91 O=C(O)CCN1CCCCO1 CBR02338 [0,0,0,0,0,2|2,0,0]=4 472 B11R1.91 O=C(O)CCN1CCOCC1 L481122 [0,0,0,0,0,2|2,0,0]=4 473 B11R1.91 O=C(O)CNC1CCCCC1 PH010418 [0,0,0,0,0,2|0,0,0]=2 474 B11R1.91 O=C([O-])CSC1CCCCO1 S722529 [0,0,0,0,0,2|1,0,1]=4 475 B11R1.742 CC(=O)OC1CCC=CCC1 T166618 [0,0,0,0,0,2|1,0,1]=4 476 B11R1.742 NC(=O)NC1CCCCCC1 S344907 [0,0,0,0,0,2|1,0,0]=3 477 B11R1.742 O=C(O)CN1CCCCCC1 CBR00324 [0,0,0,0,0,2|1,0,0]=3 478 B11R1.706 O=C(O)C1CCC=CCCC1 T179795 [0,0,0,0,0,2|0,0,0]=2