0 B9R1.163 CC(=O)C1(CCCC1)N Z2736561944 [0,0,0,0,0,0|1,0,0]=1 1 B9R1.163 CC(=O)C1(CCCO1)C Z1389051490 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.163 CC(C)C1(CCCC1)O Z449370848 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.163 CC(O)C1(CCCO1)C Z1389051935 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.163 CC1(CCCC1)C(=O)O Z199537270 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.163 CC1(CCCN1)C(=O)O Z1483991628 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.163 CC1(CCCO1)C(=O)O Z1198171568 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.163 CC1(CCCS1)C(=O)O Z1268152237 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.163 CC1(CCNC1)C(=O)N Z1095299604 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.163 CC1(CCNC1)C(=O)O Z1407007571 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.163 CC1(CCOC1)C(=O)O Z995182654 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.163 NC(=O)C1(CCCC1)N Z1267881706 [0,0,0,0,0,0|1,0,0]=1 12 B9R1.163 NC(=O)C1(CCCC1)O Z965048590 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.163 NC(=O)C1(CCNC1)O Z1809367630 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.163 NC1(CC=CC1)C(=O)O Z3814563789 [0,0,0,0,0,0|0,0,2]=2 15 B9R1.163 NC1(CCCC1)C(=O)O Z234896477 [0,0,0,0,0,0|0,0,0]=0 16 B9R1.163 NC1(CCCC1)C(F)F Z2111525544 [0,0,0,0,0,0|2,0,1]=3 17 B9R1.163 NC1(CCNC1)C(F)F Z5197030857 [0,0,0,0,0,0|3,0,1]=4 18 B9R1.163 NC1(CCOC1)C(=O)O Z1124555363 [0,0,0,0,0,0|1,0,0]=1 19 B9R1.163 NC1(CCSC1)C(=O)O Z317024750 [0,0,0,0,0,0|1,0,0]=1 20 B9R1.163 O=C(O)C1(CCCC1)O Z220335554 [0,0,0,0,0,0|1,0,0]=1 21 B9R1.163 O=C(O)C1(CCOC1)F Z1893239035 [0,0,0,0,0,0|2,0,0]=2 22 B9R1.163 O=C(O)C1(CCOC1)O Z1124555786 [0,0,0,0,0,0|2,0,0]=2 23 B8R1.7 CC(=O)C1CCCC1 Z513735352 [1,0,0,0,0,0|1,0,0]=2 24 B8R1.7 CC(=O)C1CCNC1 Z3011567326 [1,0,0,0,0,0|2,0,0]=3 25 B8R1.7 CC(=O)C1CCOC1 Z1138843358 [1,0,0,0,0,0|2,0,0]=3 26 B8R1.7 CC(N)C1CCCC1 Z513797688 [1,0,0,0,0,0|2,0,1]=4 27 B8R1.7 CC(O)C1CCNC1 Z1198184307 [1,0,0,0,0,0|2,0,1]=4 28 B8R1.7 CC(O)C1CCOC1 Z1138843471 [1,0,0,0,0,0|2,0,1]=4 29 B8R1.7 CC(O)[C@@H]1CCCN1 Z1203825201 [1,0,0,0,0,0|2,0,1]=4 30 B8R1.7 C[C@@H](O)C1CCOC1 Z1259149358 [1,0,0,0,0,0|2,0,1]=4 31 B8R1.7 C[C@H](O)C1CCOC1 Z1259149356 [1,0,0,0,0,0|2,0,1]=4 32 B8R1.7 N=C(N)C1CCCC1 Z1266823290 [1,0,0,0,0,0|2,0,0]=3 33 B8R1.7 N=C(N)C1CCCO1 Z1582263149 [1,0,0,0,0,0|3,0,0]=4 34 B8R1.7 N=C(N)C1CCNC1 Z2865416914 [1,0,0,0,0,0|3,0,0]=4 35 B8R1.7 N=C(N)C1CCOC1 Z2787259146 [1,0,0,0,0,0|3,0,0]=4 36 B8R1.7 N=C(N)N1CCCC1 Z161313378 [1,0,0,0,0,0|3,0,0]=4 37 B8R1.7 NC(=O)C1CCCC1 Z33546657 [1,0,0,0,0,0|1,0,0]=2 38 B8R1.7 NC(=O)C1CCCN1 Z56945990 [1,0,0,0,0,0|2,0,0]=3 39 B8R1.7 NC(=O)C1CCCO1 Z33545380 [1,0,0,0,0,0|2,0,0]=3 40 B8R1.7 NC(=O)C1CCNC1 Z1198394223 [1,0,0,0,0,0|2,0,0]=3 41 B8R1.7 NC(=O)C1CCOC1 Z802555342 [1,0,0,0,0,0|2,0,0]=3 42 B8R1.7 NC(=O)C1CSCN1 Z316101160 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.7 NC(=O)N1CCCC1 Z56907605 [1,0,0,0,0,0|2,0,0]=3 44 B8R1.7 NC(=S)N1CCCC1 Z55928944 [1,0,0,0,0,0|2,1,0]=4 45 B8R1.7 O=C(O)C1=CCCC1 Z1205493596 [1,0,0,0,0,0|0,0,2]=3 46 B8R1.7 O=C(O)C1=CCCS1 Z1205451212 [1,0,0,0,0,0|1,0,2]=4 47 B8R1.7 O=C(O)C1=COCC1 Z1013753090 [1,0,0,0,0,0|1,0,2]=4 48 B8R1.7 O=C(O)C1=NOCC1 Z1205494291 [1,0,0,0,0,0|2,0,1]=4 49 B8R1.7 O=C(O)C1C=CCN1 Z2902023058 [1,0,0,0,0,0|1,0,2]=4 50 B8R1.7 O=C(O)C1CC=CC1 Z1205493626 [1,0,0,0,0,0|0,0,2]=3 51 B8R1.7 O=C(O)C1CCCC1 Z104476116 [1,0,0,0,0,0|0,0,0]=1 52 B8R1.7 O=C(O)C1CCCN1 Z104476886 [1,0,0,0,0,0|1,0,0]=2 53 B8R1.7 O=C(O)C1CCCO1 Z104486102 [1,0,0,0,0,0|1,0,0]=2 54 B8R1.7 O=C(O)C1CCCS1 Z1198330300 [1,0,0,0,0,0|1,0,0]=2 55 B8R1.7 O=C(O)C1CCNC1 Z1741969245 [1,0,0,0,0,0|1,0,0]=2 56 B8R1.7 O=C(O)C1CCNO1 Z3182027847 [1,0,0,0,0,0|2,0,0]=3 57 B8R1.7 O=C(O)C1CCOC1 Z381356480 [1,0,0,0,0,0|1,0,0]=2 58 B8R1.7 O=C(O)C1CCSC1 Z1187898499 [1,0,0,0,0,0|1,0,0]=2 59 B8R1.7 O=C(O)C1CSCN1 Z104495996 [1,0,0,0,0,0|2,0,0]=3 60 B8R1.7 O=C(O)C1NCCS1 Z1203162153 [1,0,0,0,0,0|2,0,0]=3 61 B8R1.7 O=C(O)C1OCCO1 Z1198167310 [1,0,0,0,0,0|2,0,0]=3 62 B8R1.7 O=C(O)C1SCCS1 Z1255500889 [1,0,0,0,0,0|2,0,0]=3 63 B8R1.7 O=C(O)[C@@H]1CCCN1 Z756429958 [1,0,0,0,0,0|1,0,0]=2 64 B8R1.7 O=C(O)[C@@H]1CSCN1 Z756440072 [1,0,0,0,0,0|2,0,0]=3 65 B8R1.7 O=C(O)[C@H]1CCCN1 Z933632584 [1,0,0,0,0,0|1,0,0]=2 66 B8R1.7 O=C(O)[C@H]1CSCN1 Z945807988 [1,0,0,0,0,0|2,0,0]=3 67 B8R1.7 OB(O)C1CCCC1 Z1147227731 [1,0,0,0,0,0|1,0,1]=3 68 B8R1.7 S=C(S)N1CCCC1 Z56946833 [1,0,0,0,0,0|1,2,0]=4 69 B8R1.52 C#CC1(CCCC1)N Z2785867970 [1,0,0,0,0,0|1,0,1]=3 70 B8R1.52 C#CC1(CCCC1)O Z57953034 [1,0,0,0,0,0|2,0,1]=4 71 B8R1.52 C#CC1(CCOC1)N Z4745354549 [1,0,0,0,0,0|2,0,1]=4 72 B8R1.52 C=CC1(CCCC1)N Z3042074267 [1,0,0,0,0,0|1,0,0]=2 73 B8R1.52 CC1(CCCC1)C=O Z1255466724 [1,0,0,0,0,0|1,0,0]=2 74 B8R1.52 CC1(CCCC1)CN Z56757289 [1,0,0,0,0,0|2,0,1]=4 75 B8R1.52 CC1(CCCC1)CO Z1255466752 [1,0,0,0,0,0|1,0,1]=3 76 B8R1.52 CC1(CCCO1)C=O Z1389061333 [1,0,0,0,0,0|2,0,0]=3 77 B8R1.52 CC1(CCCO1)CO Z1389059207 [1,0,0,0,0,0|2,0,1]=4 78 B8R1.52 CC1(CCCS1)C=O Z1455206494 [1,0,0,0,0,0|2,0,0]=3 79 B8R1.52 CC1(CCNC1)CO Z1270138787 [1,0,0,0,0,0|2,0,1]=4 80 B8R1.52 CC1(CCOC1)C=O Z1511835334 [1,0,0,0,0,0|2,0,0]=3 81 B8R1.52 CC1(CCOC1)CO Z1270138617 [1,0,0,0,0,0|2,0,1]=4 82 B8R1.52 CCC1(CCCC1)N Z2235330317 [1,0,0,0,0,0|1,0,1]=3 83 B8R1.52 CCC1(CCOC1)N Z2010009859 [1,0,0,0,0,0|2,0,1]=4 84 B8R1.52 CNC1(CCCC1)C Z1895741267 [1,0,0,0,0,0|3,0,0]=4 85 B8R1.52 N#CC1(CCCC1)O Z419078448 [1,0,0,0,0,0|2,0,1]=4 86 B8R1.52 N#CC1(CCSC1)N Z247612682 [1,0,0,0,0,0|2,0,1]=4 87 B8R1.52 NC1(CCCC1)CO Z734150968 [1,0,0,0,0,0|0,0,1]=2 88 B8R1.52 NCC1(CCCC1)Cl Z1262684076 [1,0,0,0,0,0|2,0,1]=4 89 B8R1.52 NCC1(CCCC1)N Z1198107484 [1,0,0,0,0,0|1,0,1]=3 90 B8R1.52 NCC1(CCCC1)O Z330827814 [1,0,0,0,0,0|2,0,1]=4 91 B8R1.52 O=CC1(CCCC1)Br Z1511865834 [1,0,0,0,0,0|1,0,0]=2 92 B8R1.52 OCC1(CCCC1)O Z1258947137 [1,0,0,0,0,0|1,0,1]=3 93 B8R1.52 OCC1(CCOC1)O Z1537124515 [1,0,0,0,0,0|2,0,1]=4 94 B10R1.291 CC1(CCNC1=O)C(=O)O Z2034558836 [0,1,0,0,0,0|2,0,1]=4 95 B10R1.291 CC1CCCC1(C)C(=O)O Z1205495850 [0,1,0,0,0,0|1,0,0]=2 96 B10R1.291 CC1CCCC1(N)C(=O)N Z1258614045 [0,1,0,0,0,0|1,0,0]=2 97 B10R1.291 CC1CCCC1(N)C(=O)O Z3037488514 [0,1,0,0,0,0|0,0,0]=1 98 B10R1.291 CC1OCCC1(C)C(=O)O Z1643426568 [0,1,0,0,0,0|2,0,0]=3 99 B10R1.291 C[C@@H]1CNC[C@@]1(C)C(=O)O Z3036775390 [0,1,0,0,0,0|2,0,0]=3 100 B10R1.291 O=C(O)[C@@]1(CNC[C@H]1O)O Z5064709371 [0,1,0,0,0,0|2,0,0]=3 101 B10R1.304 NC1(CCCC1)C(F)(F)F Z3244522093 [0,1,0,0,0,0|2,0,1]=4 102 B10R1.411 CNC(=O)C1(CCCC1)N Z1262327549 [0,1,0,0,0,0|1,0,0]=2 103 B10R1.411 CNC(=O)C1(CCNC1)F Z1457935239 [0,1,0,0,0,0|3,0,0]=4 104 B10R1.411 COC(=O)C1(CCCC1)N Z235354625 [0,1,0,0,0,0|0,0,0]=1 105 B10R1.411 COC(=O)C1(CCNC1)C Z1095320068 [0,1,0,0,0,0|2,0,0]=3 106 B10R1.411 COC(=O)C1(CCNC1)F Z2082999782 [0,1,0,0,0,0|2,0,0]=3 107 B10R1.411 COC(=O)C1(CCSC1)N Z3674923303 [0,1,0,0,0,0|1,0,0]=2 108 B10R1.470 CC1(CCC(C1)N)C(=O)O Z3244659899 [0,1,0,0,0,0|1,0,0]=2 109 B10R1.470 CC1(CNC(=O)C1)C(=O)O Z1642347436 [0,1,0,0,0,0|2,0,1]=4 110 B10R1.470 CC1CCC(C1)(N)C(=O)O Z3038761031 [0,1,0,0,0,0|0,0,0]=1 111 B10R1.470 CN1CCC(C1)(C)C(=O)O Z2311218975 [0,1,0,0,0,0|2,0,0]=3 112 B10R1.470 C[C@@]1(CCC(=O)N1)C(=O)O Z2740745597 [0,1,0,0,0,0|2,0,1]=4 113 B10R1.470 N[C@@]1(CC[C@@H](C1)O)C(=O)O Z3069146834 [0,1,0,0,0,0|0,0,0]=1 114 B10R1.477 CCC1(CCCC1)C(=O)O Z995181136 [0,1,0,0,0,0|1,0,0]=2 115 B10R1.477 CCC1(CCCN1)C(=O)O Z1552026999 [0,1,0,0,0,0|2,0,0]=3 116 B10R1.477 CCC1(CCNC1)C(=O)O Z1483991480 [0,1,0,0,0,0|2,0,0]=3 117 B10R1.477 CNC1(CCCC1)C(=O)N Z477328060 [0,1,0,0,0,0|1,0,0]=2 118 B10R1.477 CNC1(CCCC1)C(=O)O Z446011232 [0,1,0,0,0,0|0,0,0]=1 119 B10R1.477 CNC1(CCNC1)C(=O)N Z4009901564 [0,1,0,0,0,0|2,0,0]=3 120 B10R1.477 COC1(CCCC1)C(=O)O Z803492216 [0,1,0,0,0,0|1,0,0]=2 121 B10R1.477 COC1(CCNC1)C(=O)O Z2865944502 [0,1,0,0,0,0|2,0,0]=3 122 B10R1.477 COC1(CCSC1)C(=O)O Z803492126 [0,1,0,0,0,0|2,0,0]=3 123 B10R1.477 N#CC1(CCCC1)C(=O)O Z104346706 [0,1,0,0,0,0|0,0,1]=2 124 B10R1.477 N#CC1(CCNC1)C(=O)N Z3037273623 [0,1,0,0,0,0|2,0,1]=4 125 B10R1.477 N#CC1(CCNC1)C(=O)O Z1255404052 [0,1,0,0,0,0|1,0,1]=3 126 B10R1.477 NCC1(CCCC1)C(=O)N Z878156242 [0,1,0,0,0,0|1,0,0]=2 127 B10R1.477 NCC1(CCCC1)C(=O)O Z1495988402 [0,1,0,0,0,0|0,0,0]=1 128 B10R1.477 O=C(O)C1(CCNC1)CO Z3476101268 [0,1,0,0,0,0|2,0,0]=3 129 B8R0.8 C/C=C/CC(N)C(=O)O Z3862089673 [0,0,1,0,0,0|0,0,2]=3 130 B8R0.8 C=CCCC(N)C(=O)O Z1703167872 [0,0,1,0,0,0|0,0,2]=3 131 B8R0.8 CC#CCC(N)C(=O)O Z1691545116 [0,0,1,0,0,0|0,0,2]=3 132 B8R0.8 CCCCC(C)C(=O)C Z727719632 [0,0,1,0,0,0|2,0,0]=3 133 B8R0.8 CCCCC(C)C(=O)O Z756390480 [0,0,1,0,0,0|1,0,0]=2 134 B8R0.8 CCCCC(N)C(=O)O Z57127434 [0,0,1,0,0,0|0,0,0]=1 135 B8R0.8 CCCCC(N)C(C)O Z2453175125 [0,0,1,0,0,0|1,0,1]=3 136 B8R0.8 CCCCC(O)C(=O)O Z803065156 [0,0,1,0,0,0|1,0,0]=2 137 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [0,0,1,0,0,0|0,0,0]=1 138 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [0,0,1,0,0,0|0,0,0]=1 139 B8R0.8 CCOCC(C)C(=O)O Z431541098 [0,0,1,0,0,0|2,0,0]=3 140 B8R0.8 CCOC[C@@H](N)C(=O)O Z2418414224 [0,0,1,0,0,0|1,0,0]=2 141 B8R0.8 COCCC(C)C(=O)O Z756390554 [0,0,1,0,0,0|2,0,0]=3 142 B8R0.8 COCCC(N)C(=O)O Z317025018 [0,0,1,0,0,0|1,0,0]=2 143 B8R0.8 CSCCC(N)C(=O)O Z57127440 [0,0,1,0,0,0|1,0,0]=2 144 B8R0.8 CSCCC(O)C(=O)O Z788000926 [0,0,1,0,0,0|2,0,0]=3 145 B8R0.8 CSCC[C@@H](N)C(=O)O Z1147215595 [0,0,1,0,0,0|1,0,0]=2 146 B8R0.8 CSCC[C@H](N)C(=O)O Z756440050 [0,0,1,0,0,0|1,0,0]=2 147 B8R0.8 N#CCCC(N)C(=O)N Z4876440061 [0,0,1,0,0,0|2,0,1]=4 148 B8R0.8 NCCCC(N)C(=O)O Z104476736 [0,0,1,0,0,0|1,0,0]=2 149 B8R0.8 NCCC[C@@H](N)C(=O)O Z1276446907 [0,0,1,0,0,0|1,0,0]=2 150 B8R0.8 NCCC[C@H](N)C(=O)O Z991547388 [0,0,1,0,0,0|1,0,0]=2 151 B8R0.8 NOCC[C@H](N)C(=O)O Z2941378358 [0,0,1,0,0,0|2,0,0]=3 152 B8R0.8 O=C([O-])C(O)CCCO Z2510259022 [0,0,1,0,0,0|2,0,1]=4 153 B8R0.12 CC(C)(CCN)C(=O)O Z1198151185 [0,0,1,0,0,0|2,0,0]=3 154 B8R0.12 CC(C)(CCO)C(=O)[O-] Z2939606946 [0,0,1,0,0,0|2,0,1]=4 155 B8R0.12 CC(N)(CCF)C(=O)O Z2509305784 [0,0,1,0,0,0|1,0,0]=2 156 B8R0.12 CCCC(C)(C)C(=O)N Z1198157529 [0,0,1,0,0,0|2,0,0]=3 157 B8R0.12 CCCC(C)(N)C(=O)O Z317024732 [0,0,1,0,0,0|0,0,0]=1 158 B8R0.12 CCCC(C)(O)C(=O)O Z788000960 [0,0,1,0,0,0|1,0,0]=2 159 B8R0.12 CCNC(C)(C)C(=O)O Z1259161934 [0,0,1,0,0,0|2,0,0]=3 160 B8R0.12 COCC(C)(C)C(=O)O Z1198275672 [0,0,1,0,0,0|2,0,0]=3 161 B8R0.12 COCC(C)(N)C(=O)N Z1267773731 [0,0,1,0,0,0|2,0,0]=3 162 B8R0.12 COCC(C)(N)C(=O)O Z1346385711 [0,0,1,0,0,0|1,0,0]=2 163 B8R0.12 COCC(C)(O)C(=O)O Z992448466 [0,0,1,0,0,0|2,0,0]=3 164 B8R0.12 CSCC(C)(C)C(=O)O Z1205494330 [0,0,1,0,0,0|2,0,0]=3 165 B8R0.12 NCCC(F)(F)C(=O)O Z2310718931 [0,0,1,0,0,0|3,0,0]=4 166 B8R0.36 CCC(C)(C#N)C(=O)O Z1205494421 [0,0,1,0,0,0|2,0,1]=4 167 B8R0.36 CCC(C)(CN)C(=O)N Z1473854538 [0,0,1,0,0,0|3,0,0]=4 168 B8R0.36 CCC(C)(CN)C(=O)O Z2855347040 [0,0,1,0,0,0|2,0,0]=3 169 B8R0.36 CCC(C)(NC)C(=O)O Z4462826616 [0,0,1,0,0,0|2,0,0]=3 170 B8R0.36 CCC(N)(CC)C(=O)N Z1262250884 [0,0,1,0,0,0|1,0,0]=2 171 B8R0.36 CCC(N)(CC)C(C)C Z449374562 [0,0,1,0,0,0|2,0,1]=4 172 B10R2.3 O=C1CCC12CCCC2 Z1222425050 [0,0,0,1,0,0|2,0,0]=3 173 B10R2.19 NC1CC2CCC1(C2)N Z3615226863 [0,0,0,1,0,0|2,0,1]=4 174 B10R2.248 NC1(CCCC1)C2CC2 Z3487768206 [0,0,0,1,0,0|2,0,1]=4 175 B10R2.248 OC1(CCCC1)C2CO2 Z2737347435 [0,0,0,1,0,0|2,0,1]=4 176 B10R2.344 O=C(O)C12CNCC1C2 Z600584248 [0,0,0,1,0,0|2,0,0]=3 177 B10R2.344 O=C(O)[C@@]12CNC[C@@H]1C2 Z2568674577 [0,0,0,1,0,0|2,0,0]=3 178 B10R2.344 O=C(O)[C@@]12COC[C@@H]1C2 Z2432382009 [0,0,0,1,0,0|2,0,0]=3 179 B10R2.344 O=C(O)[C@]12C[C@H]1CCN2 Z414834462 [0,0,0,1,0,0|2,0,0]=3 180 B10R2.348 NC(=O)C12CC(C1)CN2 Z2587654810 [0,0,0,1,0,0|3,0,0]=4 181 B10R2.348 O=C(O)C12CC(C1)CN2 Z199536584 [0,0,0,1,0,0|2,0,0]=3 182 B8R1.78 CC1(CCC1)C(=O)O Z1205493900 [0,0,0,0,1,0|1,0,0]=2 183 B8R1.78 CC1(CNC1)C(=O)N Z2378828635 [0,0,0,0,1,0|3,0,0]=4 184 B8R1.78 CC1(CNC1)C(=O)O Z3071128920 [0,0,0,0,1,0|2,0,0]=3 185 B8R1.78 CC1(COC1)C(=O)O Z1198234535 [0,0,0,0,1,0|2,0,0]=3 186 B8R1.78 NC(=O)C1(CCC1)N Z1483991927 [0,0,0,0,1,0|1,0,0]=2 187 B8R1.78 NC(=O)C1(CNC1)N Z1262579255 [0,0,0,0,1,0|2,0,0]=3 188 B8R1.78 NC(=O)C1(CNC1)O Z2680628867 [0,0,0,0,1,0|3,0,0]=4 189 B8R1.78 NC1(CCC1)C(=O)O Z1431905448 [0,0,0,0,1,0|0,0,0]=1 190 B8R1.78 NC1(CNC1)C(=O)O Z2867454580 [0,0,0,0,1,0|1,0,0]=2 191 B8R1.78 O=C(O)C1(CCC1)Br Z220564362 [0,0,0,0,1,0|1,0,0]=2 192 B8R1.78 O=C(O)C1(CCC1)O Z220564366 [0,0,0,0,1,0|1,0,0]=2 193 B8R1.78 O=C(O)C1(CNC1)O Z2630949328 [0,0,0,0,1,0|2,0,0]=3 194 B10R1.363 CC(=O)C1(CCCCC1)N Z2106606026 [0,0,0,0,0,1|1,0,0]=2 195 B10R1.363 CC1(C=CCCC1)C(=O)O Z1205494611 [0,0,0,0,0,1|1,0,1]=3 196 B10R1.363 CC1(C=CCCN1)C(=O)O Z4648131040 [0,0,0,0,0,1|1,0,2]=4 197 B10R1.363 CC1(CC=CCC1)C(=O)O Z1198158411 [0,0,0,0,0,1|1,0,1]=3 198 B10R1.363 CC1(CC=CCO1)C(=O)O Z3072907252 [0,0,0,0,0,1|1,0,2]=4 199 B10R1.363 CC1(CCCCC1)C(=N)N Z1262681045 [0,0,0,0,0,1|3,0,0]=4 200 B10R1.363 CC1(CCCCC1)C(=O)O Z995180964 [0,0,0,0,0,1|1,0,0]=2 201 B10R1.363 CC1(CCCCN1)C(=O)N Z1635388032 [0,0,0,0,0,1|2,0,0]=3 202 B10R1.363 CC1(CCCCN1)C(=O)O Z1623864156 [0,0,0,0,0,1|1,0,0]=2 203 B10R1.363 CC1(CCCCO1)C(=O)O Z1198235237 [0,0,0,0,0,1|1,0,0]=2 204 B10R1.363 CC1(CCCNC1)C(=O)O Z1262691675 [0,0,0,0,0,1|1,0,0]=2 205 B10R1.363 CC1(CCCOC1)C(=O)O Z1079130408 [0,0,0,0,0,1|1,0,0]=2 206 B10R1.363 CC1(CCNCC1)C(=O)O Z1642389877 [0,0,0,0,0,1|1,0,0]=2 207 B10R1.363 CC1(CCOCC1)C(=O)O Z992920340 [0,0,0,0,0,1|1,0,0]=2 208 B10R1.363 CC1(CCSCC1)C(=O)O Z1255441874 [0,0,0,0,0,1|1,0,0]=2 209 B10R1.363 CC1(CNCCN1)C(=O)O Z5392656375 [0,0,0,0,0,1|2,0,0]=3 210 B10R1.363 CC1(SCCCS1)C(=O)O Z1262514536 [0,0,0,0,0,1|2,0,0]=3 211 B10R1.363 NC(=O)C1(CCCCC1)N Z426041556 [0,0,0,0,0,1|1,0,0]=2 212 B10R1.363 NC(=O)C1(CCCCC1)O Z965048712 [0,0,0,0,0,1|2,0,0]=3 213 B10R1.363 NC(=O)C1(CCCNC1)N Z3172933410 [0,0,0,0,0,1|1,0,0]=2 214 B10R1.363 NC(=O)C1(CCCNC1)O Z2096087370 [0,0,0,0,0,1|2,0,0]=3 215 B10R1.363 NC(=O)C1(CCNCC1)N Z3325154854 [0,0,0,0,0,1|1,0,0]=2 216 B10R1.363 NC(=O)C1(CCNCC1)O Z2009847968 [0,0,0,0,0,1|2,0,0]=3 217 B10R1.363 NC(=O)C1(CCOCC1)N Z477337618 [0,0,0,0,0,1|1,0,0]=2 218 B10R1.363 NC1(CCCNC1)C(=O)O Z2509346558 [0,0,0,0,0,1|0,0,0]=1 219 B10R1.363 NC1(CCCOC1)C(=O)O Z3719007739 [0,0,0,0,0,1|0,0,0]=1 220 B10R1.363 NC1(CCCSC1)C(=O)O Z1029463938 [0,0,0,0,0,1|0,0,0]=1 221 B10R1.363 NC1(CCNCC1)C(=O)O Z1255490001 [0,0,0,0,0,1|0,0,0]=1 222 B10R1.363 NC1(CCOCC1)C(=O)O Z440604890 [0,0,0,0,0,1|0,0,0]=1 223 B10R1.363 NC1(CCSCC1)C(=O)O Z802893750 [0,0,0,0,0,1|0,0,0]=1 224 B10R1.363 O=C(O)C1(CCCCC1)O Z220542624 [0,0,0,0,0,1|1,0,0]=2 225 B10R1.363 O=C(O)C1(CCCNC1)O Z2738500676 [0,0,0,0,0,1|1,0,0]=2 226 B10R1.363 O=C(O)C1(CCCOC1)F Z3243070298 [0,0,0,0,0,1|1,0,0]=2 227 B10R1.363 O=C(O)C1(CCNCC1)F Z3234885472 [0,0,0,0,0,1|1,0,0]=2 228 B10R1.363 O=C(O)C1(CCOCC1)F Z1255373743 [0,0,0,0,0,1|1,0,0]=2 229 B10R1.363 O=C(O)C1(CCOCC1)O Z788000910 [0,0,0,0,0,1|1,0,0]=2 230 B10R1.363 O=C(O)C1(CCSCC1)O Z803080616 [0,0,0,0,0,1|1,0,0]=2 231 B10R1.370 CC1(CCCC1)CC(=O)O Z1205494632 [0,0,0,0,0,1|1,0,0]=2 232 B10R1.370 NC1(CCCC1)CC(=O)O Z2301438513 [0,0,0,0,0,1|0,0,0]=1 233 B10R1.370 NC1(CCSC1)CC(=O)O Z1742242134 [0,0,0,0,0,1|1,0,0]=2 234 B10R1.370 O=C(O)CC1(CCCC1)O Z982131876 [0,0,0,0,0,1|1,0,0]=2 235 B7R0.3 CCCCC(N)CC Z3303777618 [1,0,1,0,0,0|1,0,1]=4 236 B7R0.3 CCCCC(N)CN Z756921038 [1,0,1,0,0,0|1,0,1]=4 237 B7R0.4 C=CCCCC(=O)O Z1205493561 [1,0,1,0,0,0|0,0,2]=4 238 B7R0.4 CC#CCCC(=O)O Z1205493674 [1,0,1,0,0,0|0,0,2]=4 239 B7R0.4 CCC/C=C/C(=O)O Z104506794 [1,0,1,0,0,0|0,0,2]=4 240 B7R0.4 CCCCCC(=N)N Z3490473907 [1,0,1,0,0,0|2,0,0]=4 241 B7R0.4 CCCCCC(=O)O Z104503532 [1,0,1,0,0,0|0,0,0]=2 242 B7R0.4 CCCCOC(=O)N Z104476286 [1,0,1,0,0,0|2,0,0]=4 243 B7R0.4 CCCNCC(=O)N Z2211231296 [1,0,1,0,0,0|2,0,0]=4 244 B7R0.4 CCCNCC(=O)O Z744582718 [1,0,1,0,0,0|1,0,0]=3 245 B7R0.4 CCCOCC(=O)O Z406677750 [1,0,1,0,0,0|1,0,0]=3 246 B7R0.4 CCCSCC(=O)C Z447929234 [1,0,1,0,0,0|2,0,0]=4 247 B7R0.4 CCCSCC(=O)O Z228425458 [1,0,1,0,0,0|1,0,0]=3 248 B7R0.4 CCNCCC(=O)N Z2681234913 [1,0,1,0,0,0|2,0,0]=4 249 B7R0.4 CCNCCC(=O)O Z1869802098 [1,0,1,0,0,0|1,0,0]=3 250 B7R0.4 CCOCCC(=O)O Z316258938 [1,0,1,0,0,0|1,0,0]=3 251 B7R0.4 CCSCCC(=O)O Z197206046 [1,0,1,0,0,0|1,0,0]=3 252 B7R0.4 CNCCCC(=O)O Z57043473 [1,0,1,0,0,0|1,0,0]=3 253 B7R0.4 COCCCC(=O)C Z406376722 [1,0,1,0,0,0|2,0,0]=4 254 B7R0.4 COCCCC(=O)O Z316258912 [1,0,1,0,0,0|1,0,0]=3 255 B7R0.4 CSCCCC(=O)O Z54602911 [1,0,1,0,0,0|1,0,0]=3 256 B7R0.4 N#CCCCC(=O)O Z1198152304 [1,0,1,0,0,0|1,0,1]=4 257 B7R0.4 NCCCCC(=O)N Z1639630947 [1,0,1,0,0,0|2,0,0]=4 258 B7R0.4 NCCCCC(=O)O Z271111992 [1,0,1,0,0,0|1,0,0]=3 259 B7R0.4 NCCNCC(=O)O Z2692249907 [1,0,1,0,0,0|2,0,0]=4 260 B7R0.4 NCCOCC(=O)O Z1650039500 [1,0,1,0,0,0|2,0,0]=4 261 B7R0.4 NCCSCC(=O)O Z1381287295 [1,0,1,0,0,0|2,0,0]=4 262 B7R0.4 O=C(O)CCCCBr Z104479696 [1,0,1,0,0,0|1,0,0]=3 263 B7R0.4 O=C(O)CCCCS Z808230828 [1,0,1,0,0,0|1,0,0]=3 264 B7R0.4 O=C(O)CNCCO Z425411352 [1,0,1,0,0,0|2,0,0]=4 265 B7R0.4 O=C([O-])CCCCO Z2335631573 [1,0,1,0,0,0|1,0,1]=4 266 B7R0.5 C=CCC(N)C(=O)O Z317024964 [1,0,1,0,0,0|0,0,2]=4 267 B7R0.5 C=CC[C@@H](N)C(=O)O Z1374884973 [1,0,1,0,0,0|0,0,2]=4 268 B7R0.5 CC(CCN)C(=O)O Z2298167292 [1,0,1,0,0,0|1,0,0]=3 269 B7R0.5 CCCC(C)C(=O)O Z104477112 [1,0,1,0,0,0|0,0,0]=2 270 B7R0.5 CCCC(N)C(=O)O Z317024724 [1,0,1,0,0,0|0,0,0]=2 271 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [1,0,1,0,0,0|0,0,0]=2 272 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [1,0,1,0,0,0|0,0,0]=2 273 B7R0.5 CCNC(C)C(=O)O Z3181996310 [1,0,1,0,0,0|1,0,0]=3 274 B7R0.5 CCOC(C)C(=O)O Z316258934 [1,0,1,0,0,0|1,0,0]=3 275 B7R0.5 CNCC(C)C(=O)O Z1270387301 [1,0,1,0,0,0|1,0,0]=3 276 B7R0.5 COCC(C)C(=O)O Z431541094 [1,0,1,0,0,0|1,0,0]=3 277 B7R0.5 COCC(N)C(=O)O Z1613478163 [1,0,1,0,0,0|1,0,0]=3 278 B7R0.5 CSCC(C)C(=O)O Z732206684 [1,0,1,0,0,0|1,0,0]=3 279 B7R0.5 CSCC(N)C(=O)O Z317025996 [1,0,1,0,0,0|1,0,0]=3 280 B7R0.5 NC(CCF)C(=O)O Z2470036329 [1,0,1,0,0,0|1,0,0]=3 281 B7R0.5 NC(CCO)C(=O)O Z234896487 [1,0,1,0,0,0|1,0,0]=3 282 B7R0.5 NCCC(F)C(=O)O Z3235903750 [1,0,1,0,0,0|2,0,0]=4 283 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [1,0,1,0,0,0|1,0,0]=3 284 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [1,0,1,0,0,0|2,0,0]=4 285 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [1,0,1,0,0,0|1,0,0]=3 286 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [1,0,1,0,0,0|1,0,0]=3 287 B7R0.11 CCCC(C)(N)CO Z734150846 [1,0,1,0,0,0|0,0,1]=3 288 B7R0.11 COCC(C)(N)CO Z992449368 [1,0,1,0,0,0|1,0,1]=4 289 B7R0.13 CC(Br)(CBr)C(=O)O Z104503534 [1,0,1,0,0,0|2,0,0]=4 290 B7R0.13 CC(C)(CF)C(=O)O Z1205495490 [1,0,1,0,0,0|2,0,0]=4 291 B7R0.13 CC(C)(CN)C(=O)O Z2235387237 [1,0,1,0,0,0|2,0,0]=4 292 B7R0.13 CC(C)(CO)C(=O)O Z997726628 [1,0,1,0,0,0|2,0,0]=4 293 B7R0.13 CC(N)(CN)C(=O)O Z2050725177 [1,0,1,0,0,0|1,0,0]=3 294 B7R0.13 CC(N)(CO)C(=O)O Z1509051726 [1,0,1,0,0,0|1,0,0]=3 295 B7R0.13 CC(O)(CO)C(=O)O Z1205493767 [1,0,1,0,0,0|2,0,0]=4 296 B7R0.13 CCC(C)(Br)C(=O)O Z1198221945 [1,0,1,0,0,0|1,0,0]=3 297 B7R0.13 CCC(C)(C)C(=O)N Z995039228 [1,0,1,0,0,0|2,0,0]=4 298 B7R0.13 CCC(C)(C)C(=O)O Z995036360 [1,0,1,0,0,0|1,0,0]=3 299 B7R0.13 CCC(C)(N)C(=O)N Z992716994 [1,0,1,0,0,0|1,0,0]=3 300 B7R0.13 CCC(C)(N)C(=O)O Z317024736 [1,0,1,0,0,0|0,0,0]=2 301 B7R0.13 CCC(C)(O)C(=O)O Z788000964 [1,0,1,0,0,0|1,0,0]=3 302 B7R0.13 CNC(C)(C)C(=O)O Z2381576028 [1,0,1,0,0,0|2,0,0]=4 303 B7R0.13 COC(C)(C)C(=O)O Z803492148 [1,0,1,0,0,0|2,0,0]=4 304 B7R0.13 CSC(C)(C)C(=O)O Z803544000 [1,0,1,0,0,0|2,0,0]=4 305 B7R0.15 CCC(C#N)C(=O)O Z1117899421 [1,0,1,0,0,0|1,0,1]=4 306 B7R0.15 CCC(CC)C(=N)N Z3221365874 [1,0,1,0,0,0|2,0,0]=4 307 B7R0.15 CCC(CC)C(=O)N Z365255920 [1,0,1,0,0,0|1,0,0]=3 308 B7R0.15 CCC(CC)C(=S)N Z336081440 [1,0,1,0,0,0|1,1,0]=4 309 B7R0.15 CCC(CO)C(=O)[O-] Z2442085377 [1,0,1,0,0,0|1,0,1]=4 310 B7R0.15 CCC(NC)C(=O)O Z818727142 [1,0,1,0,0,0|1,0,0]=3 311 B7R0.15 CCC(OC)C(=O)O Z449367058 [1,0,1,0,0,0|1,0,0]=3 312 B7R0.15 CCC(SC)C(=O)O Z732206700 [1,0,1,0,0,0|1,0,0]=3 313 B7R0.15 CNC(CN)C(=O)O Z1982493964 [1,0,1,0,0,0|2,0,0]=4 314 B7R0.15 COC(CN)C(=O)O Z1603778808 [1,0,1,0,0,0|2,0,0]=4 315 B7R0.15 NCC(CN)C(=O)O Z5183354524 [1,0,1,0,0,0|2,0,0]=4 316 B7R0.18 CCC(N)(C#N)CC Z444311662 [1,0,1,0,0,0|1,0,1]=4 317 B7R0.18 CCC(N)(CC)CO Z734151048 [1,0,1,0,0,0|0,0,1]=3 318 B7R1.1 CNC1CCCC1 Z102766802 [2,0,0,0,0,0|2,0,0]=4 319 B7R1.1 N#CC1CCCC1 Z285131394 [2,0,0,0,0,0|1,0,1]=4 320 B7R1.1 NCC1CCCC1 Z367452206 [2,0,0,0,0,0|1,0,1]=4 321 B7R1.1 NNC1CCCC1 Z285139110 [2,0,0,0,0,0|2,0,0]=4 322 B7R1.1 O=CC1=CCCC1 Z1190318866 [2,0,0,0,0,0|0,0,2]=4 323 B7R1.1 O=CC1CC=CC1 Z1504676872 [2,0,0,0,0,0|0,0,2]=4 324 B7R1.1 O=CC1CCCC1 Z875036058 [2,0,0,0,0,0|0,0,0]=2 325 B7R1.1 O=CC1CCOC1 Z199056102 [2,0,0,0,0,0|1,0,0]=3 326 B7R1.1 O=CC1CCSC1 Z1201681645 [2,0,0,0,0,0|1,0,0]=3 327 B7R1.1 O=CN1CCCC1 Z1255394997 [2,0,0,0,0,0|1,0,0]=3 328 B7R1.1 OCC1CCCC1 Z397587414 [2,0,0,0,0,0|0,0,1]=3 329 B7R1.1 OCC1CCCN1 Z825308062 [2,0,0,0,0,0|1,0,1]=4 330 B7R1.1 OCC1CCCS1 Z1201679857 [2,0,0,0,0,0|1,0,1]=4 331 B7R1.1 OCC1CCNC1 Z976722188 [2,0,0,0,0,0|1,0,1]=4 332 B7R1.1 OCC1CCOC1 Z335245192 [2,0,0,0,0,0|1,0,1]=4 333 B7R1.1 OCC1CCSC1 Z1201679855 [2,0,0,0,0,0|1,0,1]=4 334 B7R1.1 OC[C@@H]1CCCN1 Z1123715411 [2,0,0,0,0,0|1,0,1]=4 335 B7R1.14 CC1(CCCC1)O Z449370856 [2,0,0,0,0,0|1,0,0]=3 336 B7R1.14 CC1(CCNC1)O Z1139194384 [2,0,0,0,0,0|2,0,0]=4 337 B7R1.14 CC1(CCOC1)N Z1895741238 [2,0,0,0,0,0|1,0,1]=4 338 B7R1.14 CC1(CCSC1)N Z4990294346 [2,0,0,0,0,0|1,0,1]=4 339 B7R1.14 CC1(CCSC1)O Z1359841674 [2,0,0,0,0,0|2,0,0]=4 340 B7R1.14 N=S1(=O)CCCC1 Z1862022759 [2,0,0,0,0,0|1,0,1]=4 341 B9R0.6 CCCC(C)C(N)C(=O)O Z905051876 [0,1,1,0,0,0|0,0,0]=2 342 B9R0.6 COCC(C)C(C)C(=O)O Z1321942658 [0,1,1,0,0,0|2,0,0]=4 343 B9R0.7 CC(=CCC(N)C(=O)O)C Z317024968 [0,1,1,0,0,0|0,0,2]=4 344 B9R0.7 CC(=O)CCC(N)C(=O)O Z1436472892 [0,1,1,0,0,0|0,0,1]=3 345 B9R0.7 CC(C)CCC(N)C(=O)O Z1259339953 [0,1,1,0,0,0|0,0,0]=2 346 B9R0.7 CC(C)COC(C)C(=O)O Z316259214 [0,1,1,0,0,0|2,0,0]=4 347 B9R0.7 CC(CCN(C)C)C(=O)O Z2754060676 [0,1,1,0,0,0|2,0,0]=4 348 B9R0.7 CS(=O)CC[C@H](N)C(=O)O Z1198149738 [0,1,1,0,0,0|1,0,0]=3 349 B9R0.7 NC(=O)CCC(N)C(=O)O Z104497332 [0,1,1,0,0,0|1,0,1]=4 350 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O Z1203578189 [0,1,1,0,0,0|1,0,1]=4 351 B9R0.7 NC(=O)CC[C@H](N)C(=O)O Z756440074 [0,1,1,0,0,0|1,0,1]=4 352 B9R0.7 NC(CCC(=O)O)C(=O)O Z57127545 [0,1,1,0,0,0|1,0,1]=4 353 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Z756440052 [0,1,1,0,0,0|1,0,1]=4 354 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Z1741982700 [0,1,1,0,0,0|1,0,1]=4 355 B9R0.8 CCCCC(N)C(=O)NO Z1184862892 [0,1,1,0,0,0|0,0,0]=2 356 B9R0.8 CCCCC(N)C(=O)OC Z1675167157 [0,1,1,0,0,0|0,0,0]=2 357 B9R0.8 CCNCC(C)C(=O)OC Z431542702 [0,1,1,0,0,0|2,0,0]=4 358 B9R0.8 COCCC(N)C(=O)OC Z2168389573 [0,1,1,0,0,0|1,0,0]=3 359 B9R0.13 CCC(CCOC)C(=O)O Z756391352 [0,1,1,0,0,0|2,0,0]=4 360 B9R0.13 CCCCC(CC)C(=O)N Z394696486 [0,1,1,0,0,0|2,0,0]=4 361 B9R0.13 CCCCC(CC)C(=O)O Z104478072 [0,1,1,0,0,0|1,0,0]=3 362 B9R0.13 COC(CCSC)C(=O)O Z1592680734 [0,1,1,0,0,0|2,0,0]=4 363 B9R0.42 CCC(=O)CC(N)C(=O)O Z1820077230 [0,1,1,0,0,0|0,0,1]=3 364 B9R0.42 CCC(C)CC(N)C(=O)O Z2306603552 [0,1,1,0,0,0|0,0,0]=2 365 B9R0.42 COC(=O)C[C@H](N)C(=O)O Z1079458540 [0,1,1,0,0,0|1,0,1]=4 366 B9R0.42 O=C(O)C(O)CC(O)CO Z1262514590 [0,1,1,0,0,0|2,0,0]=4 367 B9R0.47 C#CCCCC(N)C(=O)O Z3325155760 [0,1,1,0,0,0|0,0,1]=3 368 B9R0.47 C=CCCCC(N)C(=O)O Z2906280520 [0,1,1,0,0,0|0,0,1]=3 369 B9R0.47 CC(CSCCN)C(=O)O Z2379806326 [0,1,1,0,0,0|2,0,0]=4 370 B9R0.47 CCC/C=C/C(O)C(=O)O Z2681277218 [0,1,1,0,0,0|1,0,1]=4 371 B9R0.47 CCCCCC(O)C(=O)O Z788000584 [0,1,1,0,0,0|1,0,0]=3 372 B9R0.47 CCCCOC(C)C(=O)O Z409190966 [0,1,1,0,0,0|1,0,0]=3 373 B9R0.47 CCCCSC(C)C(=O)O Z149191762 [0,1,1,0,0,0|1,0,0]=3 374 B9R0.47 CCCSCC(N)C(=O)O Z444349874 [0,1,1,0,0,0|0,0,0]=2 375 B9R0.47 COCCCC(N)C(=O)O Z1428160326 [0,1,1,0,0,0|0,0,0]=2 376 B9R0.47 COCCOC(C)C(=O)O Z316259198 [0,1,1,0,0,0|2,0,0]=4 377 B9R0.47 CSCCCC(N)C(=O)O Z3274997631 [0,1,1,0,0,0|0,0,0]=2 378 B9R0.47 NCC#CCC(N)C(=O)O Z1650644415 [0,1,1,0,0,0|0,0,2]=4 379 B9R0.47 NCCCCC(N)C(=O)O Z57127389 [0,1,1,0,0,0|0,0,0]=2 380 B9R0.47 NCCCC[C@H](N)C(=O)O Z812534818 [0,1,1,0,0,0|0,0,0]=2 381 B9R0.51 CC(C)(CCCN)C(=O)O Z1516115695 [0,1,1,0,0,0|2,0,0]=4 382 B9R0.51 CCCCC(C)(F)C(=O)O Z1508949719 [0,1,1,0,0,0|1,0,0]=3 383 B9R0.51 COCCC(C)(C)C(=O)O Z995179662 [0,1,1,0,0,0|2,0,0]=4 384 B9R0.11 CC(=O)CC(C)(C)C(=O)O Z1205493714 [0,1,1,0,0,0|1,0,1]=4 385 B9R0.11 CC(C)(CC(F)F)C(=O)O Z1321944873 [0,1,1,0,0,0|2,0,0]=4 386 B9R0.11 CC(C)CC(C)(C)C(=O)O Z995179602 [0,1,1,0,0,0|1,0,0]=3 387 B9R0.11 CC(C)CC(C)(N)C(=O)N Z477337822 [0,1,1,0,0,0|1,0,0]=3 388 B9R0.11 CC(C)CC(C)(N)C(=O)O Z4767745729 [0,1,1,0,0,0|0,0,0]=2 389 B9R0.11 CC(C)OC(C)(C)C(=O)O Z803494892 [0,1,1,0,0,0|2,0,0]=4 390 B9R0.11 CN(C)CC(C)(C)C(=O)O Z2941395068 [0,1,1,0,0,0|2,0,0]=4 391 B9R0.28 CCC(N)C(C)(C)C(=O)O Z1262517126 [0,1,1,0,0,0|1,0,0]=3 392 B9R0.28 CCC(O)C(F)(F)C(=O)O Z982139396 [0,1,1,0,0,0|2,0,0]=4 393 B9R0.28 CCN(C)C(C)(C)C(=O)O Z1495385228 [0,1,1,0,0,0|2,0,0]=4 394 B9R0.60 CCCC(C)(N)C(=O)OC Z324254272 [0,1,1,0,0,0|0,0,0]=2 395 B9R0.60 CNCC(C)(C)C(=O)OC Z4201314156 [0,1,1,0,0,0|2,0,0]=4 396 B9R0.60 COC(=O)C(C)(C)CCN Z2037273259 [0,1,1,0,0,0|2,0,0]=4 397 B9R0.60 COCC(C)(N)C(=O)OC Z898422656 [0,1,1,0,0,0|1,0,0]=3 398 B9R0.60 COCC(C)(O)C(=O)OC Z992449376 [0,1,1,0,0,0|2,0,0]=4 399 B9R0.74 CCC(C)(COC)C(=O)O Z1627075139 [0,1,1,0,0,0|2,0,0]=4 400 B9R0.74 CCC(N)(COC)C(=O)O Z2217033049 [0,1,1,0,0,0|1,0,0]=3 401 B9R0.74 CNC(C)(COC)C(=O)O Z2234185714 [0,1,1,0,0,0|1,0,0]=3 402 B9R0.74 COCC(C)(CN)C(=O)O Z5935120070 [0,1,1,0,0,0|1,0,0]=3 403 B9R0.69 CCC(C)(NC)C(=O)OC Z4704832519 [0,1,1,0,0,0|2,0,0]=4 404 B9R0.69 CCC(N)(CC)C(=O)OC Z477335952 [0,1,1,0,0,0|0,0,0]=2 405 B9R0.76 CCC(C)(C(=O)O)C(F)F Z1322541672 [0,1,1,0,0,0|2,0,0]=4 406 B9R0.76 CCC(N)(C(=O)N)C(C)C Z727616020 [0,1,1,0,0,0|1,0,0]=3 407 B9R0.78 CCC(CC)(CC)C(=O)O Z995181774 [0,1,1,0,0,0|1,0,0]=3 408 B9R0.78 CCC(CC)(CN)C(=O)N Z878156256 [0,1,1,0,0,0|1,0,0]=3 409 B9R0.78 CCC(CC)(CO)C(=O)O Z1205493947 [0,1,1,0,0,0|1,0,0]=3 410 B9R0.78 CCC(CC)(NC)C(=O)O Z1642061042 [0,1,1,0,0,0|0,0,0]=2 411 B9R1.11 C=CC(=O)N1CCCC1 Z440633532 [1,1,0,0,0,0|2,0,0]=4 412 B9R1.11 CC(C=O)C1CCCC1 Z1268606342 [1,1,0,0,0,0|1,0,1]=4 413 B9R1.11 CCC(=O)C1CCCC1 Z513735272 [1,1,0,0,0,0|1,0,0]=3 414 B9R1.11 CCC(=O)C1CCOC1 Z1138843357 [1,1,0,0,0,0|2,0,0]=4 415 B9R1.11 CNC(=O)C1CCCN1 Z252845110 [1,1,0,0,0,0|2,0,0]=4 416 B9R1.11 CNC(=O)C1CCNC1 Z1078592234 [1,1,0,0,0,0|2,0,0]=4 417 B9R1.11 COC(=O)C1CCCC1 Z18376105 [1,1,0,0,0,0|0,0,0]=2 418 B9R1.11 COC(=O)C1CCCN1 Z240133664 [1,1,0,0,0,0|1,0,0]=3 419 B9R1.11 COC(=O)C1CCNC1 Z1162448855 [1,1,0,0,0,0|1,0,0]=3 420 B9R1.11 COC(=O)C1CCNO1 Z3182027836 [1,1,0,0,0,0|2,0,0]=4 421 B9R1.11 COC(=O)C1CCOC1 Z802555348 [1,1,0,0,0,0|1,0,0]=3 422 B9R1.11 COC(=O)C1CCSS1 Z3302120689 [1,1,0,0,0,0|2,0,0]=4 423 B9R1.11 COC(=O)C1NCCS1 Z1203162102 [1,1,0,0,0,0|2,0,0]=4 424 B9R1.11 COC(=O)[C@@H]1CCCN1 Z1263714077 [1,1,0,0,0,0|1,0,0]=3 425 B9R1.11 N/C(=N\O)/C1CCCC1 Z285132798 [1,1,0,0,0,0|1,0,0]=3 426 B9R1.11 NCC(=O)N1CCCC1 Z1449745390 [1,1,0,0,0,0|2,0,0]=4 427 B9R1.11 NNC(=O)C1CCCC1 Z58981928 [1,1,0,0,0,0|1,0,0]=3 428 B9R1.11 O=C(CCl)C1CCCC1 Z1198266546 [1,1,0,0,0,0|1,0,0]=3 429 B9R1.11 O=C(CCl)C1CCCO1 Z1205660980 [1,1,0,0,0,0|2,0,0]=4 430 B9R1.11 O=C(CCl)N1CCCC1 Z56896279 [1,1,0,0,0,0|2,0,0]=4 431 B9R1.11 O=C(CO)N1CCCC1 Z431952022 [1,1,0,0,0,0|1,0,0]=3 432 B9R1.11 O=C(NO)C1CCCO1 Z59183015 [1,1,0,0,0,0|1,0,0]=3 433 B9R1.19 NS(=O)(=O)C1CCCC1 Z734461564 [1,1,0,0,0,0|1,0,1]=4 434 B9R1.19 O=S(=O)(F)C1CCCC1 Z991738850 [1,1,0,0,0,0|1,0,1]=4 435 B9R1.35 CC(=O)N1CCC(C1)I Z1486011417 [1,1,0,0,0,0|2,0,0]=4 436 B9R1.35 CC(=O)N1CCC(C1)N Z1421529530 [1,1,0,0,0,0|2,0,0]=4 437 B9R1.35 CC(=O)N1CCC(C1)O Z1037571952 [1,1,0,0,0,0|2,0,0]=4 438 B9R1.35 CC(=O)N1CC[C@H](C1)N Z4485354356 [1,1,0,0,0,0|2,0,0]=4 439 B9R1.35 CC1C=C(CC1)C(=O)O Z1205494874 [1,1,0,0,0,0|0,0,2]=4 440 B9R1.35 CC1CC(CO1)C(=O)O Z1509040560 [1,1,0,0,0,0|1,0,0]=3 441 B9R1.35 CC1CCC(C1)C(=O)O Z1190318311 [1,1,0,0,0,0|0,0,0]=2 442 B9R1.35 CC1COC(C1)C(=O)O Z2785866738 [1,1,0,0,0,0|1,0,0]=3 443 B9R1.35 CC1NC(CS1)C(=O)O Z317026564 [1,1,0,0,0,0|2,0,0]=4 444 B9R1.35 CN1CCC(C1)C(=O)O Z406683232 [1,1,0,0,0,0|1,0,0]=3 445 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O Z2309921587 [1,1,0,0,0,0|1,0,0]=3 446 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O Z2238277752 [1,1,0,0,0,0|1,0,0]=3 447 B9R1.35 NC(=O)C1CC(CN1)O Z56960275 [1,1,0,0,0,0|2,0,0]=4 448 B9R1.35 NC(=O)N1CCC(C1)N Z1342879018 [1,1,0,0,0,0|2,0,0]=4 449 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)F Z1203582968 [1,1,0,0,0,0|2,0,0]=4 450 B9R1.35 NC(=O)[C@H]1CC[C@H](C1)N Z2238896801 [1,1,0,0,0,0|1,0,0]=3 451 B9R1.35 NC1C=CC(C1)C(=O)O Z1350606478 [1,1,0,0,0,0|0,0,2]=4 452 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O Z2307368779 [1,1,0,0,0,0|0,0,0]=2 453 B9R1.35 O=C(O)C1CCC(C1)F Z1981870592 [1,1,0,0,0,0|0,0,0]=2 454 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O Z2470415380 [1,1,0,0,0,0|1,0,0]=3 455 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O Z802856442 [1,1,0,0,0,0|1,0,0]=3 456 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O Z1201624589 [1,1,0,0,0,0|1,0,0]=3 457 B9R1.35 O=C1CC(CN1)C(=O)O Z239137534 [1,1,0,0,0,0|1,0,1]=4 458 B9R1.35 O=C1CC(CO1)C(=O)O Z1205493721 [1,1,0,0,0,0|1,0,1]=4 459 B9R1.35 O=C1CC(CS1)C(=O)O Z1201622329 [1,1,0,0,0,0|1,0,1]=4 460 B9R1.35 O=C1CCC(C1)C(=O)O Z1205493622 [1,1,0,0,0,0|0,0,1]=3 461 B9R1.35 O=C1CCC(N1)C(=O)O Z104474096 [1,1,0,0,0,0|1,0,1]=4 462 B9R1.35 O=C1CCC(O1)C(=O)O Z1198149867 [1,1,0,0,0,0|1,0,1]=4 463 B9R1.35 O=C1CCC(S1)C(=O)O Z1205655674 [1,1,0,0,0,0|1,0,1]=4 464 B9R1.35 O=C1CC[C@@H](N1)C(=O)O Z812534840 [1,1,0,0,0,0|1,0,1]=4 465 B9R1.35 O=C1CC[C@H](N1)C(=O)O Z1154378309 [1,1,0,0,0,0|1,0,1]=4 466 B9R1.35 O=C1CN[C@@H](C1)C(=O)O Z2902023119 [1,1,0,0,0,0|1,0,1]=4 467 B9R1.35 O=C1COC(C1)C(=O)O Z3002628864 [1,1,0,0,0,0|1,0,1]=4 468 B9R1.41 CC1=C(CCC1)C(=O)O Z1205493763 [1,1,0,0,0,0|0,0,2]=4 469 B9R1.41 CC1CCCC1C(=O)O Z1205493876 [1,1,0,0,0,0|0,0,0]=2 470 B9R1.41 CC1CCNC1C(=O)O Z1708090072 [1,1,0,0,0,0|1,0,0]=3 471 B9R1.41 CC1NCCC1C(=O)O Z2009848190 [1,1,0,0,0,0|1,0,0]=3 472 B9R1.41 CC1OCCC1C(=O)O Z1263714390 [1,1,0,0,0,0|1,0,0]=3 473 B9R1.41 CN1CCCC1C(=O)O Z424762078 [1,1,0,0,0,0|1,0,0]=3 474 B9R1.41 CN1CCC[C@@H]1C(=O)O Z1205493803 [1,1,0,0,0,0|1,0,0]=3 475 B9R1.41 CN1CSCC1C(=O)O Z3069281046 [1,1,0,0,0,0|2,0,0]=4 476 B9R1.41 C[C@@H]1CNC[C@H]1C(=O)N Z2235592159 [1,1,0,0,0,0|2,0,0]=4 477 B9R1.41 NC(=O)C1CCCC1N Z1203642185 [1,1,0,0,0,0|1,0,0]=3 478 B9R1.41 NC(=O)[C@H]1CCC[C@H]1N Z2311233523 [1,1,0,0,0,0|1,0,0]=3 479 B9R1.41 NC(=O)[C@H]1OCC[C@H]1N Z3719404582 [1,1,0,0,0,0|2,0,0]=4 480 B9R1.41 NC1CCCC1C(=O)O Z1250132738 [1,1,0,0,0,0|0,0,0]=2 481 B9R1.41 NN1CCC[C@@H]1C(=O)O Z1205495541 [1,1,0,0,0,0|1,0,0]=3 482 B9R1.41 NN1CCC[C@H]1C(=O)O Z1205494129 [1,1,0,0,0,0|1,0,0]=3 483 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O Z2568674579 [1,1,0,0,0,0|0,0,0]=2 484 B9R1.41 N[C@@H]1CCO[C@@H]1C(=O)O Z2937968219 [1,1,0,0,0,0|1,0,0]=3 485 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O Z2327569946 [1,1,0,0,0,0|0,0,0]=2 486 B9R1.41 O=C(O)C1=C(CCC1)Cl Z1198161164 [1,1,0,0,0,0|0,0,2]=4 487 B9R1.41 O=C(O)C1CCCC1O Z1080722426 [1,1,0,0,0,0|0,0,0]=2 488 B9R1.41 O=C(O)C1CCNC1=O Z1203733517 [1,1,0,0,0,0|1,0,1]=4 489 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F Z3305005618 [1,1,0,0,0,0|1,0,0]=3 490 B9R1.125 CC1CCC(C1)(N)CO Z4381130473 [1,1,0,0,0,0|0,0,1]=3 491 B9R1.134 C=CCC1(CCOC1)N Z4052247632 [1,1,0,0,0,0|2,0,0]=4 492 B9R1.134 COCC1(CCOC1)N Z2242050896 [1,1,0,0,0,0|1,0,1]=4 493 B9R1.202 CC1(CCCC1N)CO Z1255430902 [1,1,0,0,0,0|1,0,1]=4 494 B9R1.204 C#CC1(CCCC1)CN Z5333440825 [1,1,0,0,0,0|1,0,1]=4 495 B9R1.204 CCC1(CCCC1)C=O Z1392905121 [1,1,0,0,0,0|1,0,0]=3 496 B9R1.204 CCC1(CCCC1)CN Z995184408 [1,1,0,0,0,0|1,0,1]=4 497 B9R1.204 CCC1(CCCO1)C=O Z2942657341 [1,1,0,0,0,0|2,0,0]=4 498 B9R1.204 CNC1(CCCC1)C#N Z359508294 [1,1,0,0,0,0|1,0,1]=4 499 B9R1.204 COC1(CCCC1)C=O Z1511780488 [1,1,0,0,0,0|1,0,0]=3 500 B9R1.204 COC1(CCOC1)C=O Z2301235145 [1,1,0,0,0,0|2,0,0]=4 501 B9R1.204 N#CC1(CCCC1)C=O Z1767994014 [1,1,0,0,0,0|0,0,1]=3 502 B9R1.204 N#CC1(CCCC1)CN Z2465619866 [1,1,0,0,0,0|1,0,1]=4 503 B9R1.204 N#CC1(CCCC1)CO Z1238573143 [1,1,0,0,0,0|0,0,2]=4 504 B9R1.204 NCC1(CCCC1)CO Z1718490164 [1,1,0,0,0,0|0,0,1]=3 505 B9R1.119 CCC1(CCC1)C(=O)O Z1205494281 [0,1,0,0,1,0|1,0,0]=3 506 B9R1.119 CCC1(COC1)C(=O)O Z1205656653 [0,1,0,0,1,0|2,0,0]=4 507 B9R1.119 CNC1(CCC1)C(=O)O Z2327124607 [0,1,0,0,1,0|0,0,0]=2 508 B9R1.119 COC1(CCC1)C(=O)O Z1592683230 [0,1,0,0,1,0|1,0,0]=3 509 B9R1.119 N#CC1(CCC1)C(=O)O Z825761124 [0,1,0,0,1,0|0,0,1]=3 510 B9R1.119 NCC1(CCC1)C(=O)O Z2037266975 [0,1,0,0,1,0|0,0,0]=2 511 B9R1.119 O=C(O)C1(CCC1)CO Z1263714391 [0,1,0,0,1,0|1,0,0]=3 512 B9R1.152 C=C1CC(C1)(N)C(=O)O Z4456650800 [0,1,0,0,1,0|0,0,1]=3 513 B9R1.152 CC1(CC(C1)F)C(=O)O Z3211847948 [0,1,0,0,1,0|1,0,0]=3 514 B9R1.152 CC1CC(C1)(N)C(=O)O Z2856166804 [0,1,0,0,1,0|0,0,0]=2 515 B9R1.152 NC1(CC(=O)C1)C(=O)O Z4578587092 [0,1,0,0,1,0|0,0,1]=3 516 B9R1.152 NC1(CC(C1)F)C(=O)O Z2724339187 [0,1,0,0,1,0|0,0,0]=2 517 B9R1.152 NC1(CC(C1)O)C(=O)O Z1255398009 [0,1,0,0,1,0|0,0,0]=2 518 B9R1.152 NC1CC(C1)(O)C(=O)O Z4445501853 [0,1,0,0,1,0|1,0,0]=3 519 B9R1.186 COC(=O)C1(CCC1)O Z787621610 [0,1,0,0,1,0|1,0,0]=3 520 B9R1.186 COC(=O)C1(CNC1)C Z1255493452 [0,1,0,0,1,0|2,0,0]=4 521 B11R1.220 CC1(CCC(=O)CC1)C(=O)O Z1255438161 [0,1,0,0,0,1|1,0,0]=3 522 B11R1.220 CC1(CCC(=O)NC1)C(=O)O Z1813108106 [0,1,0,0,0,1|1,0,1]=4 523 B11R1.220 CC1(CCC(CC1)O)C(=O)O Z1262526806 [0,1,0,0,0,1|1,0,0]=3 524 B11R1.220 CC1=CCC(CC1)(C)C(=O)O Z1262511092 [0,1,0,0,0,1|1,0,1]=4 525 B11R1.220 CC1CCC(CC1)(N)C(=O)O Z317024836 [0,1,0,0,0,1|0,0,0]=2 526 B11R1.220 CN1CCC(CC1)(C)C(=O)O Z1762997281 [0,1,0,0,0,1|1,0,0]=3 527 B11R1.220 CN1CCC(CC1)(F)C(=O)O Z3244401818 [0,1,0,0,0,1|1,0,0]=3 528 B11R1.220 NC1CCC(CC1)(N)C(=O)O Z1483956645 [0,1,0,0,0,1|0,0,0]=2 529 B11R1.520 CC1(CCCNC1=O)C(=O)O Z1262521202 [0,1,0,0,0,1|1,0,1]=4 530 B11R1.520 CC1CCCCC1(N)C(=O)O Z317024760 [0,1,0,0,0,1|0,0,0]=2 531 B11R1.520 O=C(O)[C@@]1(CCNC[C@H]1O)O Z4435493440 [0,1,0,0,0,1|1,0,0]=3 532 B11R1.573 NC1(CCOCC1)P(=O)(O)O Z1262679282 [0,1,0,0,0,1|1,0,0]=3 533 B11R1.667 CC1(CC(CCO1)N)C(=O)O Z2830783135 [0,1,0,0,0,1|1,0,0]=3 534 B11R1.667 CC1CC(CCO1)(C)C(=O)O Z2690351087 [0,1,0,0,0,1|1,0,0]=3 535 B11R1.667 CC1CC(CCO1)(N)C(=O)O Z3006084661 [0,1,0,0,0,1|0,0,0]=2 536 B11R1.667 CC1CCCC(C1)(N)C(=O)O Z317024768 [0,1,0,0,0,1|0,0,0]=2 537 B11R1.878 CNC(=O)C1(CCCCC1)N Z1162448836 [0,1,0,0,0,1|1,0,0]=3 538 B11R1.878 CNC(=O)C1(CCCCC1)O Z1238571778 [0,1,0,0,0,1|2,0,0]=4 539 B11R1.878 CNC(=O)C1(CCCNC1)C Z1471151744 [0,1,0,0,0,1|2,0,0]=4 540 B11R1.878 CNC(=O)C1(CCNCC1)O Z5347210613 [0,1,0,0,0,1|2,0,0]=4 541 B11R1.878 COC(=O)C1(CCCCC1)N Z235351541 [0,1,0,0,0,1|0,0,0]=2 542 B11R1.878 COC(=O)C1(CCCOC1)N Z2310702450 [0,1,0,0,0,1|0,0,0]=2 543 B11R1.878 COC(=O)C1(CCNCC1)F Z3658367553 [0,1,0,0,0,1|1,0,0]=3 544 B11R1.878 COC(=O)C1(CCNCC1)N Z2064681951 [0,1,0,0,0,1|0,0,0]=2 545 B11R1.878 COC(=O)C1(CCOCC1)N Z2236735388 [0,1,0,0,0,1|0,0,0]=2 546 B11R1.878 COC(=O)C1(CCOCC1)O Z965047650 [0,1,0,0,0,1|1,0,0]=3 547 B11R1.878 COC(=O)C1(CCSCC1)N Z1741785951 [0,1,0,0,0,1|0,0,0]=2 548 B11R1.878 COC(=O)C1(CNCCO1)C Z1255392663 [0,1,0,0,0,1|2,0,0]=4 549 B11R1.878 O=C(CCl)C1(CCCCC1)F Z4320448459 [0,1,0,0,0,1|2,0,0]=4 550 B11R1.1074 C#CC1(CCOCC1)C(=O)O Z2867708389 [0,1,0,0,0,1|1,0,0]=3 551 B11R1.1074 C=CC1(CCNCC1)C(=O)O Z4284273066 [0,1,0,0,0,1|1,0,0]=3 552 B11R1.1074 C=CC1(CCOCC1)C(=O)O Z3490087829 [0,1,0,0,0,1|1,0,0]=3 553 B11R1.1074 CCC1(CCCCC1)C(=O)O Z995180910 [0,1,0,0,0,1|1,0,0]=3 554 B11R1.1074 CCC1(CCCCN1)C(=O)O Z3244871896 [0,1,0,0,0,1|1,0,0]=3 555 B11R1.1074 CCC1(CCOCC1)C(=O)O Z1037344038 [0,1,0,0,0,1|1,0,0]=3 556 B11R1.1074 CNC1(CCCCC1)C(=O)O Z446011394 [0,1,0,0,0,1|0,0,0]=2 557 B11R1.1074 CNC1(CCNCC1)C(=O)N Z3333757606 [0,1,0,0,0,1|1,0,0]=3 558 B11R1.1074 CNC1(CCOCC1)C(=O)O Z446011000 [0,1,0,0,0,1|0,0,0]=2 559 B11R1.1074 COC1(CCCCC1)C(=O)O Z803492292 [0,1,0,0,0,1|1,0,0]=3 560 B11R1.1074 COC1(CCCNC1)C(=O)O Z2754060675 [0,1,0,0,0,1|1,0,0]=3 561 B11R1.1074 COC1(CCOCC1)C(=O)O Z803492334 [0,1,0,0,0,1|1,0,0]=3 562 B11R1.1074 COC1(CCSCC1)C(=O)O Z803492350 [0,1,0,0,0,1|1,0,0]=3 563 B11R1.1074 N#CC1(CCCCC1)C(=O)O Z361971468 [0,1,0,0,0,1|0,0,1]=3 564 B11R1.1074 N#CC1(CCCOC1)C(=O)O Z1310728705 [0,1,0,0,0,1|0,0,1]=3 565 B11R1.1074 N#CC1(CCNCC1)C(=O)O Z1255420571 [0,1,0,0,0,1|0,0,1]=3 566 B11R1.1074 N#CC1(CCOCC1)C(=O)O Z361971472 [0,1,0,0,0,1|0,0,1]=3 567 B11R1.1074 N#CC1(CCSCC1)C(=O)O Z1165306310 [0,1,0,0,0,1|0,0,1]=3 568 B11R1.1074 NCC1(CCCCC1)C(=O)O Z3235017457 [0,1,0,0,0,1|0,0,0]=2 569 B11R1.1074 NCC1(CCCOC1)C(=O)O Z2724010460 [0,1,0,0,0,1|0,0,0]=2 570 B11R1.1074 NCC1(CCOCC1)C(=O)N Z380802666 [0,1,0,0,0,1|1,0,0]=3 571 B11R1.1074 O=C(O)C1(CCOCC1)CO Z1251353886 [0,1,0,0,0,1|1,0,0]=3 572 B11R1.895 COC(=O)CC1(CCCC1)N Z1925930162 [0,1,0,0,0,1|0,0,0]=2 573 B11R1.1386 CC1(CCCC1(N)C(=O)O)C Z1198173988 [0,2,0,0,0,0|0,0,0]=2 574 B11R1.1386 CC1(CCCS1(=O)=O)C(=O)O Z1262525069 [0,2,0,0,0,0|2,0,0]=4 575 B11R1.1386 CC1(CNCC1(F)C(=O)O)C Z4415009728 [0,2,0,0,0,0|2,0,0]=4 576 B11R1.1470 COC(=O)[C@]1(CNC[C@@H]1C)C Z2692213135 [0,2,0,0,0,0|2,0,0]=4 577 B11R1.1470 COC(=O)[C@]1(CNC[C@@H]1O)O Z5102118364 [0,2,0,0,0,0|2,0,0]=4 578 B11R1.1061 CS(=O)(=O)C1(CCCC1)CN Z2065464266 [0,2,0,0,0,0|1,0,1]=4 579 B11R1.819 CCNC(=O)C1(CCCC1)N Z1449756854 [0,2,0,0,0,0|1,0,0]=3 580 B11R1.819 CCOC(=O)C1(CCCC1)N Z818732108 [0,2,0,0,0,0|0,0,0]=2 581 B11R1.819 CCOC(=O)C1(CCNC1)C Z1474026233 [0,2,0,0,0,0|2,0,0]=4 582 B11R1.819 CCOC(=O)C1(CCOC1)N Z3669891629 [0,2,0,0,0,0|1,0,0]=3 583 B11R1.885 COC(=O)C1(CCC(C1)C)N Z3039443437 [0,2,0,0,0,0|0,0,0]=2 584 B11R1.1472 CNC(=O)C1(CCCC1)CN Z1457934927 [0,2,0,0,0,0|1,0,0]=3 585 B11R1.1472 CNC1(CCCC1)C(=O)OC Z477326140 [0,2,0,0,0,0|0,0,0]=2 586 B11R1.1472 COC(=O)C1(CC=CC1)CN Z3484424715 [0,2,0,0,0,0|0,0,2]=4 587 B11R1.1472 COC(=O)C1(CCCC1)C=O Z1255404939 [0,2,0,0,0,0|1,0,0]=3 588 B11R1.1472 COC(=O)C1(CCCC1)CN Z1309454332 [0,2,0,0,0,0|0,0,0]=2 589 B11R1.1472 COC(=O)C1(CCCN1)CO Z3685003475 [0,2,0,0,0,0|2,0,0]=4 590 B11R1.1472 COC(=O)C1(CCCO1)C=O Z3186686509 [0,2,0,0,0,0|2,0,0]=4 591 B11R1.1472 COC(=O)C1(CCNC1)CO Z3480695124 [0,2,0,0,0,0|2,0,0]=4 592 B11R1.1472 COC(=O)C1(CCNC1)OC Z2648275219 [0,2,0,0,0,0|2,0,0]=4 593 B11R1.1472 COC(=O)C1(CCOC1)C=O Z2739546549 [0,2,0,0,0,0|2,0,0]=4 594 B11R1.738 CC1(CC(CN1)(C)C(=O)O)C Z4456655366 [0,2,0,0,0,0|2,0,0]=4 595 B11R1.738 CC1(CC(CN1)(F)F)C(=O)O Z2311245115 [0,2,0,0,0,0|2,0,0]=4 596 B11R1.1229 CCC1CCC(C1)(O)C(=O)O Z381410914 [0,2,0,0,0,0|1,0,0]=3 597 B11R1.1239 C#CCC1(CCCN1)C(=O)O Z1509011697 [0,2,0,0,0,0|2,0,0]=4 598 B11R1.1239 CCOC1(CCCC1)C(=O)O Z803492470 [0,2,0,0,0,0|1,0,0]=3 599 B11R1.1239 COCC1(CCCC1)C(=O)O Z1251362857 [0,2,0,0,0,0|1,0,0]=3 600 B11R1.1239 COCC1(CCCN1)C(=O)O Z2186883213 [0,2,0,0,0,0|2,0,0]=4 601 B11R1.1239 COCC1(CCNC1)C(=O)O Z2381575910 [0,2,0,0,0,0|2,0,0]=4 602 B11R1.1239 COCC1(CCOC1)C(=O)O Z1627075152 [0,2,0,0,0,0|2,0,0]=4 603 B11R1.1239 NCCC1(CCCC1)C(=O)O Z5183186013 [0,2,0,0,0,0|0,0,0]=2 604 B11R1.1239 O=CNC1(CCCC1)C(=O)O Z760037150 [0,2,0,0,0,0|0,0,0]=2 605 B11R1.1385 CN(C)C1(CCCC1)C(=O)O Z448002930 [0,2,0,0,0,0|0,0,0]=2 606 B11R1.1385 CN(C)C1(CCNC1)C(=O)N Z3900298259 [0,2,0,0,0,0|2,0,0]=4 607 B11R1.1385 O=C(O)C1(CCNC1)C(F)F Z2306626516 [0,2,0,0,0,0|2,0,0]=4 608 B9R1.5 CC1CCCCNC1=O Z1198181151 [0,0,1,1,0,0|2,0,0]=4 609 B9R1.5 NC1CCCCCC1=O Z2213893401 [0,0,1,1,0,0|1,0,0]=3 610 B9R1.5 NC1CCCCNC1=O Z281895050 [0,0,1,1,0,0|1,0,0]=3 611 B9R1.5 N[C@@H]1CCCCC[C@H]1O Z1198180675 [0,0,1,1,0,0|1,0,1]=4 612 B9R1.5 O=C1CCCCCC1Cl Z223607164 [0,0,1,1,0,0|2,0,0]=4 613 B9R1.5 O=C1NCCCCC1Br Z220343714 [0,0,1,1,0,0|2,0,0]=4 614 B9R1.6 CC(=O)C1CCCCN1 Z1954800414 [0,0,1,1,0,0|1,0,0]=3 615 B9R1.6 CC(=O)[C@@H]1CCCCN1 Z1618016835 [0,0,1,1,0,0|1,0,0]=3 616 B9R1.6 CC(=O)[C@H]1CCCCN1 Z2234185612 [0,0,1,1,0,0|1,0,0]=3 617 B9R1.6 CC(O)C1CCCCN1 Z995042172 [0,0,1,1,0,0|1,0,1]=4 618 B9R1.6 N=C(N)C1CCCCN1 Z1269145449 [0,0,1,1,0,0|2,0,0]=4 619 B9R1.6 NC(=O)C1CCCCC1 Z33546516 [0,0,1,1,0,0|2,0,0]=4 620 B9R1.6 NC(=O)C1CCCCN1 Z90122010 [0,0,1,1,0,0|1,0,0]=3 621 B9R1.6 NC(=O)C1CNCCN1 Z203041340 [0,0,1,1,0,0|2,0,0]=4 622 B9R1.6 NC(=O)C1CSCCN1 Z1198160722 [0,0,1,1,0,0|2,0,0]=4 623 B9R1.6 O=C(O)C1C=CCCC1 Z57127330 [0,0,1,1,0,0|1,0,1]=4 624 B9R1.6 O=C(O)C1C=CCCN1 Z3668162534 [0,0,1,1,0,0|0,0,2]=4 625 B9R1.6 O=C(O)C1CC=CCN1 Z3839411211 [0,0,1,1,0,0|0,0,2]=4 626 B9R1.6 O=C(O)C1CCCCC1 Z104475698 [0,0,1,1,0,0|1,0,0]=3 627 B9R1.6 O=C(O)C1CCCCN1 Z104479780 [0,0,1,1,0,0|0,0,0]=2 628 B9R1.6 O=C(O)C1CCCCO1 Z963633098 [0,0,1,1,0,0|1,0,0]=3 629 B9R1.6 O=C(O)C1CCCNC1 Z324553206 [0,0,1,1,0,0|2,0,0]=4 630 B9R1.6 O=C(O)C1CCCOC1 Z445214062 [0,0,1,1,0,0|2,0,0]=4 631 B9R1.6 O=C(O)C1CCCSC1 Z1198485079 [0,0,1,1,0,0|2,0,0]=4 632 B9R1.6 O=C(O)C1CCCSS1 Z1262517456 [0,0,1,1,0,0|2,0,0]=4 633 B9R1.6 O=C(O)C1CCNCC1 Z104474390 [0,0,1,1,0,0|2,0,0]=4 634 B9R1.6 O=C(O)C1CCOCC1 Z85923421 [0,0,1,1,0,0|2,0,0]=4 635 B9R1.6 O=C(O)C1CCSCC1 Z826531634 [0,0,1,1,0,0|2,0,0]=4 636 B9R1.6 O=C(O)C1CCSCN1 Z1235963996 [0,0,1,1,0,0|1,0,0]=3 637 B9R1.6 O=C(O)C1CNCCN1 Z1273089259 [0,0,1,1,0,0|1,0,0]=3 638 B9R1.6 O=C(O)C1COCCN1 Z1255387606 [0,0,1,1,0,0|1,0,0]=3 639 B9R1.6 O=C(O)C1COCCO1 Z362763682 [0,0,1,1,0,0|2,0,0]=4 640 B9R1.6 O=C(O)C1CSCCS1 Z147642878 [0,0,1,1,0,0|2,0,0]=4 641 B9R1.6 O=C(O)C1SCCCS1 Z275241266 [0,0,1,1,0,0|2,0,0]=4 642 B9R1.6 O=C(O)[C@@H]1CCCCN1 Z1033300646 [0,0,1,1,0,0|0,0,0]=2 643 B9R1.23 CCC1CC(C(=O)N1)C Z1203824349 [0,0,1,1,0,0|2,0,0]=4 644 B9R1.59 CCC[C@@H]1C[C@H]1C(=O)O Z2310055381 [0,0,1,1,0,0|1,0,0]=3 645 B9R1.59 CCOC1CC1C(=O)O Z432051730 [0,0,1,1,0,0|2,0,0]=4 646 B9R1.69 CC1CCC(C(=O)C1)C Z1238548176 [0,0,1,1,0,0|2,0,0]=4 647 B9R1.69 CC1CCC(C(=O)N1)C Z1203817414 [0,0,1,1,0,0|2,0,0]=4 648 B9R1.95 CN[C@H]1C[C@H](C1)C(=O)O Z2681202678 [0,0,1,1,0,0|2,0,0]=4 649 B9R1.95 NCC1CC(C1)C(=O)O Z3247510672 [0,0,1,1,0,0|2,0,0]=4 650 B9R1.110 CC(C(=O)O)C1CCC1 Z1198237996 [0,0,1,1,0,0|1,0,0]=3 651 B9R1.110 CC(C(=O)O)C1CNC1 Z1741794178 [0,0,1,1,0,0|2,0,0]=4 652 B9R1.110 CC(C(=O)O)N1CCC1 Z2310732393 [0,0,1,1,0,0|2,0,0]=4 653 B9R1.110 NC(C(=O)O)C1CCC1 Z1309515310 [0,0,1,1,0,0|0,0,0]=2 654 B9R1.110 O=C(O)C(O)C1CCC1 Z1205496047 [0,0,1,1,0,0|1,0,0]=3 655 B9R1.112 NC(CC1CC1)C(=O)O Z431958560 [0,0,1,1,0,0|0,0,0]=2 656 B9R1.112 O=C(O)C(F)CC1CC1 Z1443587524 [0,0,1,1,0,0|1,0,0]=3 657 B9R1.38 CC1CC(C(=O)N1)(C)C Z1203733674 [0,0,1,1,0,0|2,0,0]=4 658 B9R1.165 CC(C)(C(=O)O)C1CC1 Z1205494855 [0,0,1,1,0,0|1,0,0]=3 659 B9R1.165 CC(N)(C(=O)N)C1CC1 Z1470344909 [0,0,1,1,0,0|1,0,0]=3 660 B9R1.165 CC(N)(C(=O)O)C1CC1 Z1250132714 [0,0,1,1,0,0|0,0,0]=2 661 B9R1.165 CC(O)(C(=O)O)C1CC1 Z788000400 [0,0,1,1,0,0|1,0,0]=3 662 B9R1.165 O=C(O)C(F)(F)C1CC1 Z1791408651 [0,0,1,1,0,0|2,0,0]=4 663 B9R1.179 CCCC1(CC1)C(=O)O Z1205496166 [0,0,1,1,0,0|1,0,0]=3 664 B9R1.179 O=C(O)C1(CC1)CCO Z1321950923 [0,0,1,1,0,0|2,0,0]=4 665 B9R1.130 C[C@@H]1C[C@@]1(CN)C(=O)O Z3409601701 [0,0,1,1,0,0|2,0,0]=4 666 B9R2.2 C1CCC(C1)C2CO2 Z1020679780 [1,0,0,1,0,0|1,0,1]=4 667 B9R2.7 O=C1NC2C1CCC2 Z1250169685 [1,0,0,1,0,0|1,0,0]=3 668 B9R2.7 O=C1N[C@H]2[C@@H]1CCC2 Z2307158154 [1,0,0,1,0,0|1,0,0]=3 669 B9R2.39 O=C1NC2CCC1C2 Z1238833321 [1,0,0,1,0,0|1,0,0]=3 670 B9R2.39 OC1CC2CCC1C2 Z104479470 [1,0,0,1,0,0|1,0,1]=4 671 B9R2.56 O=C[C@@]12CCC[C@@H]1C2 Z2900769719 [1,0,0,1,0,0|1,0,0]=3 672 B9R2.61 O=CC12CCC(C1)C2 Z3626807045 [1,0,0,1,0,0|1,0,0]=3 673 B9R2.110 NC12CCC(C1)CC2 Z1650039442 [1,0,0,1,0,0|1,0,1]=4 674 B9R2.110 NC12CCC(C1)OC2 Z3444783709 [1,0,0,1,0,0|0,0,1]=3 675 B9R2.140 O=C1CCC12CCC2 Z1198313571 [0,0,0,1,1,0|2,0,0]=4 676 B9R2.140 O=C1NCC12CCC2 Z2375645218 [0,0,0,1,1,0|2,0,0]=4 677 B9R2.145 O=C(O)C12CC(C1)C2 Z1205493798 [0,0,0,1,1,0|1,0,0]=3 678 B11R2.12 O=C1NCC12CCCOC2 Z2865012678 [0,0,0,1,0,1|2,0,0]=4 679 B11R2.679 CC12CCN(CC1)CC2=O Z5185415087 [0,0,0,1,0,1|2,0,0]=4 680 B11R2.813 CC(=O)C12CCCCC1O2 Z1513596244 [0,0,0,1,0,1|2,0,0]=4 681 B11R2.813 NC(=O)[C@]12C[C@H]1CCCN2 Z2941534151 [0,0,0,1,0,1|2,0,0]=4 682 B11R2.813 O=C(O)C12CCCCC1C2 Z1205497757 [0,0,0,1,0,1|1,0,0]=3 683 B11R2.813 O=C(O)[C@]12C[C@H]1CCCN2 Z2896884384 [0,0,0,1,0,1|1,0,0]=3 684 B11R2.849 NC1(CCC2C1C2)C(=O)O Z3282783244 [0,0,0,1,0,1|0,0,0]=2 685 B11R2.1825 NC1(C2C1CCC2)C(=O)O Z5343255683 [0,0,0,1,0,1|0,0,0]=2 686 B11R2.1826 O=C(O)C12CNCC(C1)C2 Z3244821611 [0,0,0,1,0,1|1,0,0]=3 687 B11R2.1839 CC(O)C12CCC(N1)CC2 Z3210757143 [0,0,0,1,0,1|1,0,1]=4 688 B11R2.1839 NC(=O)C12CCC(N1)CC2 Z2867975581 [0,0,0,1,0,1|1,0,0]=3 689 B11R2.1839 O=C(O)C12CCC(C1)CC2 Z1198162267 [0,0,0,1,0,1|1,0,0]=3 690 B11R2.1839 O=C(O)C12CCC(C1)CO2 Z3334129707 [0,0,0,1,0,1|1,0,0]=3 691 B11R2.1839 O=C(O)C12CCN(C1)CC2 Z2681277226 [0,0,0,1,0,1|1,0,0]=3 692 B11R2.141 O=C(O)C1CC12CCCC2 Z979743296 [0,0,0,1,0,1|1,0,0]=3 693 B11R2.141 O=C(O)C1CC12CCNC2 Z2311216937 [0,0,0,1,0,1|2,0,0]=4 694 B11R2.141 O=C(O)C1CC12CCOC2 Z1124555735 [0,0,0,1,0,1|2,0,0]=4 695 B11R2.748 O=C1CC2(CCCC2)CN1 Z1198235316 [0,0,0,1,0,1|2,0,0]=4 696 B11R2.748 O=C1CCC2(N1)CCCC2 Z1258978219 [0,0,0,1,0,1|2,0,0]=4 697 B11R2.748 O=C1CNC2(C1)CCCC2 Z2732532265 [0,0,0,1,0,1|1,0,0]=3 698 B11R2.748 O=C1NC2(CCCC2)CO1 Z1266873523 [0,0,0,1,0,1|1,0,0]=3 699 B11R2.748 O=C1NC2(CCNC2)CO1 Z2785879738 [0,0,0,1,0,1|2,0,0]=4 700 B11R2.748 OC1CNC2(C1)CCCC2 Z2732544476 [0,0,0,1,0,1|1,0,1]=4 701 B11R2.818 C[C@@]12CNC[C@@]1(C2)C(=O)O Z4120110312 [0,1,0,1,0,0|2,0,0]=4 702 B11R2.819 O=C(O)[C@]12CC[C@H]1CCN2 Z3181907870 [0,1,0,1,0,0|2,0,0]=4 703 B11R2.819 O=C(O)[C@]12CC[C@H]1CNC2 Z2940617658 [0,1,0,1,0,0|2,0,0]=4 704 B11R2.820 NC1(CC2CC1C2)C(=O)O Z4896413827 [0,1,0,1,0,0|0,0,0]=2 705 B11R2.3 O=C1NCCC12CCCC2 Z1203733994 [0,1,0,1,0,0|2,0,0]=4 706 B11R2.3 O=C1OCCC12CCCC2 Z1716391095 [0,1,0,1,0,0|1,0,0]=3 707 B11R2.3 O=C1OCCC12CCCN2 Z1741785940 [0,1,0,1,0,0|2,0,0]=4 708 B11R2.3 O=C1OCCC12CCNC2 Z2418414019 [0,1,0,1,0,0|2,0,0]=4 709 B11R2.895 O=C(CCl)C12CCCC1C2 Z2503661227 [0,1,0,1,0,0|2,0,0]=4 710 B11R2.2312 NC12CCC(C1)[C@@H]([C@@H]2O)O Z3967656597 [0,1,0,1,0,0|0,0,2]=4 711 B11R2.746 N[C@@H]1CC[C@]2([C@@H]1C2)C(=O)O Z4500873137 [0,1,0,1,0,0|1,0,0]=3 712 B11R2.2454 CC12CNC(C1)(C2)C(=O)O Z2517220205 [0,1,0,1,0,0|2,0,0]=4 713 B11R2.2454 O=C(O)C12CC(C1)(CO2)Cl Z5479974706 [0,1,0,1,0,0|2,0,0]=4 714 B7R1.18 CC(O)C1CCC1 Z1198149695 [1,0,0,0,1,0|1,0,1]=4 715 B7R1.18 N=C(N)C1CCC1 Z1532540511 [1,0,0,0,1,0|2,0,0]=4 716 B7R1.18 NC(=O)C1CCC1 Z33546656 [1,0,0,0,1,0|1,0,0]=3 717 B7R1.18 NC(=O)C1CNC1 Z2754447740 [1,0,0,0,1,0|2,0,0]=4 718 B7R1.18 O=C(O)C1CCC1 Z104472264 [1,0,0,0,1,0|0,0,0]=2 719 B7R1.18 O=C(O)C1CCN1 Z168878270 [1,0,0,0,1,0|1,0,0]=3 720 B7R1.18 O=C(O)C1CNC1 Z1171217434 [1,0,0,0,1,0|1,0,0]=3 721 B7R1.18 O=C(O)C1CSC1 Z1205495555 [1,0,0,0,1,0|1,0,0]=3 722 B7R1.25 C=CC1(CCC1)N Z3241265563 [1,0,0,0,1,0|1,0,0]=3 723 B7R1.25 CC1(CCC1)C=O Z1198728427 [1,0,0,0,1,0|1,0,0]=3 724 B7R1.25 CC1(COC1)C=O Z1198234536 [1,0,0,0,1,0|2,0,0]=4 725 B7R1.25 CC1(CSC1)C=O Z2732442937 [1,0,0,0,1,0|2,0,0]=4 726 B7R1.25 CCC1(CCC1)N Z1333043532 [1,0,0,0,1,0|1,0,1]=4 727 B7R1.25 N#CC1(CCC1)N Z406679978 [1,0,0,0,1,0|1,0,1]=4 728 B7R1.25 NC1(CCC1)CO Z1203581511 [1,0,0,0,1,0|0,0,1]=3 729 B7R1.25 OCC1(CCC1)O Z1537124745 [1,0,0,0,1,0|1,0,1]=4 730 B7R1.19 CC(=O)C1(CC1)C Z56969338 [0,0,0,0,2,0|2,0,0]=4 731 B7R1.19 CC(=O)C1(CC1)N Z2273234943 [0,0,0,0,2,0|1,0,0]=3 732 B7R1.19 CC1(CC1)C(=O)N Z1203578696 [0,0,0,0,2,0|2,0,0]=4 733 B7R1.19 CC1(CC1)C(=O)O Z1205493633 [0,0,0,0,2,0|1,0,0]=3 734 B7R1.19 NC(=O)C1(CC1)N Z1415893881 [0,0,0,0,2,0|1,0,0]=3 735 B7R1.19 NC1(CC1)C(=O)O Z235362779 [0,0,0,0,2,0|0,0,0]=2 736 B7R1.19 O=C(O)C1(CC1)O Z216340524 [0,0,0,0,2,0|1,0,0]=3 737 B9R0.58 CCCC(C)(C)CC(=O)O Z1198160073 [0,0,1,0,0,1|1,0,0]=3 738 B9R0.58 COCC(C)(C)CC(=O)O Z1434171899 [0,0,1,0,0,1|2,0,0]=4 739 B9R0.58 COCC(C)(N)CC(=O)O Z3379727619 [0,0,1,0,0,1|1,0,0]=3 740 B9R0.63 CCC(C)(CC)OC(=O)N Z1198155508 [0,0,1,0,0,1|2,0,0]=4 741 B9R1.13 CC(=O)CC1CCCO1 Z513734588 [1,0,0,0,0,1|2,0,0]=4 742 B9R1.13 CC(=O)CC1CCOC1 Z1321971717 [1,0,0,0,0,1|2,0,0]=4 743 B9R1.13 CC(=O)NC1CCCC1 Z32413858 [1,0,0,0,0,1|1,0,0]=3 744 B9R1.13 CC(=O)OC1CCNC1 Z1201627165 [1,0,0,0,0,1|2,0,0]=4 745 B9R1.13 N=C(N)CC1CCCC1 Z2092177104 [1,0,0,0,0,1|2,0,0]=4 746 B9R1.13 NC(=NC1CCCC1)N Z1269638443 [1,0,0,0,0,1|2,0,0]=4 747 B9R1.13 NC(=O)C=C1CCCC1 Z741560360 [1,0,0,0,0,1|1,0,1]=4 748 B9R1.13 NC(=O)CC1CCCC1 Z33546662 [1,0,0,0,0,1|1,0,0]=3 749 B9R1.13 NC(=O)CC1CCCN1 Z1459435572 [1,0,0,0,0,1|2,0,0]=4 750 B9R1.13 NC(=O)CN1CCCC1 Z1184886892 [1,0,0,0,0,1|2,0,0]=4 751 B9R1.13 NC(=O)NC1CCCC1 Z56896930 [1,0,0,0,0,1|1,0,0]=3 752 B9R1.13 NC(=O)NC1CCNC1 Z1551475943 [1,0,0,0,0,1|2,0,0]=4 753 B9R1.13 O=C(O)C=C1CCCC1 Z352748244 [1,0,0,0,0,1|0,0,1]=3 754 B9R1.13 O=C(O)CC1C=CCC1 Z104507506 [1,0,0,0,0,1|0,0,2]=4 755 B9R1.13 O=C(O)CC1CCCC1 Z104477042 [1,0,0,0,0,1|0,0,0]=2 756 B9R1.13 O=C(O)CC1CCCN1 Z1480642793 [1,0,0,0,0,1|1,0,0]=3 757 B9R1.13 O=C(O)CC1CCNC1 Z1863617764 [1,0,0,0,0,1|1,0,0]=3 758 B9R1.13 O=C(O)CC1CCOC1 Z825745916 [1,0,0,0,0,1|1,0,0]=3 759 B9R1.13 O=C(O)CC1OCCO1 Z1205496445 [1,0,0,0,0,1|2,0,0]=4 760 B9R1.13 O=C(O)CN1CCCC1 Z197269292 [1,0,0,0,0,1|1,0,0]=3 761 B9R1.13 O=C(O)C[C@@H]1CCCO1 Z1862025858 [1,0,0,0,0,1|1,0,0]=3 762 B9R1.13 O=C(O)C[C@H]1CCOC1 Z1205495408 [1,0,0,0,0,1|1,0,0]=3 763 B9R1.13 OB(O)CC1CCCC1 Z1147227856 [1,0,0,0,0,1|1,0,1]=4 764 B9R1.118 C#CC1(CCOCC1)N Z4658148877 [1,0,0,0,0,1|1,0,1]=4 765 B9R1.118 C=CC1(CCOCC1)N Z3092386482 [1,0,0,0,0,1|1,0,0]=3 766 B9R1.118 CC1(CCCCC1)C=O Z1198343650 [1,0,0,0,0,1|1,0,0]=3 767 B9R1.118 CC1(CCCCC1)CO Z1201620047 [1,0,0,0,0,1|1,0,1]=4 768 B9R1.118 CC1(CCCCN1)CO Z1255397122 [1,0,0,0,0,1|1,0,1]=4 769 B9R1.118 CC1(CCCCO1)C=O Z2178581866 [1,0,0,0,0,1|1,0,0]=3 770 B9R1.118 CC1(CCCNC1)CO Z1198184762 [1,0,0,0,0,1|1,0,1]=4 771 B9R1.118 CC1(CCNCC1)CO Z1683068092 [1,0,0,0,0,1|1,0,1]=4 772 B9R1.118 CC1(CCOCC1)C=O Z1255452107 [1,0,0,0,0,1|1,0,0]=3 773 B9R1.118 CC1(CCOCC1)CO Z1255447679 [1,0,0,0,0,1|1,0,1]=4 774 B9R1.118 CC1(COCCO1)C=O Z3827418417 [1,0,0,0,0,1|2,0,0]=4 775 B9R1.118 CCC1(CCCCC1)N Z2235790648 [1,0,0,0,0,1|1,0,1]=4 776 B9R1.118 N#CC1(CCCCC1)N Z56968513 [1,0,0,0,0,1|1,0,1]=4 777 B9R1.118 N#CC1(CCOCC1)N Z440604874 [1,0,0,0,0,1|1,0,1]=4 778 B9R1.118 NC1(CCCCC1)CO Z2417556977 [1,0,0,0,0,1|0,0,1]=3 779 B9R1.118 NC1(CCOCC1)CO Z234898275 [1,0,0,0,0,1|0,0,1]=3 780 B9R1.118 NC1(CCSCC1)CO Z2256111066 [1,0,0,0,0,1|0,0,1]=3 781 B9R1.118 NCC1(CCCCC1)N Z235344715 [1,0,0,0,0,1|1,0,1]=4 782 B9R1.118 NCC1(CCOCC1)N Z440604832 [1,0,0,0,0,1|1,0,1]=4 783 B9R1.118 O=CC1(CCCCC1)Br Z1255439614 [1,0,0,0,0,1|1,0,0]=3 784 B9R1.118 O=CC1(CCCCC1)Cl Z1251357068 [1,0,0,0,0,1|1,0,0]=3 785 B9R1.118 O=CC1(CCOCC1)Cl Z1511915339 [1,0,0,0,0,1|1,0,0]=3 786 B9R1.118 OCC1(CCCNC1)O Z2284393168 [1,0,0,0,0,1|1,0,1]=4 787 B9R1.118 OCC1(CCNCC1)F Z2941371989 [1,0,0,0,0,1|1,0,1]=4 788 B9R1.118 OCC1(CCNCC1)O Z2522871031 [1,0,0,0,0,1|1,0,1]=4 789 B9R1.118 OCC1(CCOCC1)O Z1537124723 [1,0,0,0,0,1|1,0,1]=4 790 B9R1.171 NC(=O)CC1(CCC1)N Z1415889529 [0,0,0,0,1,1|1,0,0]=3 791 B9R1.171 NC1(CCC1)CC(=O)O Z1318147475 [0,0,0,0,1,1|0,0,0]=2 792 B11R1.737 CC1(CCCCCC1)C(=O)O Z1255397317 [0,0,0,0,0,2|1,0,0]=3 793 B11R1.737 NC(=O)C1(CCCCCC1)N Z285201190 [0,0,0,0,0,2|1,0,0]=3 794 B11R1.737 NC1(CCCCCC1)C(=O)O Z317024840 [0,0,0,0,0,2|0,0,0]=2 795 B11R1.737 O=C(O)C1(CCCCCC1)O Z787969976 [0,0,0,0,0,2|1,0,0]=3 796 B11R1.928 CC(=O)NC1(CCNCC1)C Z3689602976 [0,0,0,0,0,2|2,0,0]=4 797 B11R1.928 CC1(CCCCC1)CC(=O)O Z1255466882 [0,0,0,0,0,2|1,0,0]=3 798 B11R1.928 CC1(CCNCC1)CC(=O)O Z5590137993 [0,0,0,0,0,2|1,0,0]=3 799 B11R1.928 NC(=O)CC1(CCCCC1)N Z2941400913 [0,0,0,0,0,2|1,0,0]=3 800 B11R1.928 NC(=O)CC1(CCOCC1)N Z1335657666 [0,0,0,0,0,2|1,0,0]=3 801 B11R1.928 NC1(CCCCC1)CC(=O)O Z1741975256 [0,0,0,0,0,2|0,0,0]=2 802 B11R1.928 NC1(CCNCC1)CC(=O)O Z1624323979 [0,0,0,0,0,2|0,0,0]=2 803 B11R1.928 NC1(CCOCC1)CC(=O)O Z2255110164 [0,0,0,0,0,2|0,0,0]=2 804 B11R1.928 O=C(O)CC1(CCCCC1)O Z982131964 [0,0,0,0,0,2|1,0,0]=3 805 B11R1.928 O=C(O)CC1(CCNCC1)O Z3488912123 [0,0,0,0,0,2|1,0,0]=3 806 B11R1.928 O=C(O)CC1(CCOCC1)O Z982132196 [0,0,0,0,0,2|1,0,0]=3 807 B11R1.713 CC(=O)NCC1(CCCC1)O Z1203329531 [0,0,0,0,0,2|2,0,0]=4 808 B11R1.713 NC1(CCCC1)CCC(=O)O Z3085811385 [0,0,0,0,0,2|0,0,0]=2 809 B11R1.713 NC1(CCOC1)CCC(=O)O Z2941795757 [0,0,0,0,0,2|1,0,0]=3