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]=3 810 B6R0.4 CCCCC(=O)N Z104476278 [2,0,1,0,0,0|0,0,1]=4 811 B6R0.4 CCCCC(=O)O Z104473312 [2,0,1,0,0,0|0,0,0]=3 812 B6R0.4 CCCCC(C)N Z3300506318 [2,0,1,0,0,0|0,0,1]=4 813 B6R0.4 CCNCC(=O)O Z744593094 [2,0,1,0,0,0|1,0,0]=4 814 B6R0.4 CCOCC(=O)O Z104495232 [2,0,1,0,0,0|1,0,0]=4 815 B6R0.4 COCCC(=O)O Z285184634 [2,0,1,0,0,0|1,0,0]=4 816 B6R0.4 CSCCC(=O)O Z54719251 [2,0,1,0,0,0|1,0,0]=4 817 B6R0.4 NCCCC(=O)O Z104475620 [2,0,1,0,0,0|1,0,0]=4 818 B6R0.4 O=C(O)CCCS Z147642510 [2,0,1,0,0,0|1,0,0]=4 819 B6R0.6 CCCCCCO Z104473568 [2,0,1,0,0,0|0,0,1]=4 820 B6R0.3 CC(CN)C(=O)O Z431542704 [2,0,1,0,0,0|1,0,0]=4 821 B6R0.3 CC(CO)C(=O)O Z431541400 [2,0,1,0,0,0|1,0,0]=4 822 B6R0.3 CCC(C)C(=O)N Z270978420 [2,0,1,0,0,0|1,0,0]=4 823 B6R0.3 CCC(C)C(=O)O Z237374874 [2,0,1,0,0,0|0,0,0]=3 824 B6R0.3 CCC(N)C(=O)O Z104495144 [2,0,1,0,0,0|0,0,0]=3 825 B6R0.3 CCC(O)C(=O)O Z246073650 [2,0,1,0,0,0|1,0,0]=4 826 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [2,0,1,0,0,0|0,0,0]=3 827 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [2,0,1,0,0,0|0,0,0]=3 828 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [2,0,1,0,0,0|0,0,0]=3 829 B6R0.3 CNC(C)C(=O)O Z1278590830 [2,0,1,0,0,0|1,0,0]=4 830 B6R0.3 COC(C)C(=O)O Z316258898 [2,0,1,0,0,0|1,0,0]=4 831 B6R0.3 CSC(C)C(=O)O Z149191750 [2,0,1,0,0,0|1,0,0]=4 832 B6R0.3 NC(CO)C(=O)O Z57396986 [2,0,1,0,0,0|1,0,0]=4 833 B6R0.3 NC(CS)C(=O)O Z966690626 [2,0,1,0,0,0|1,0,0]=4 834 B6R0.3 NCC(N)C(=O)O Z2465863279 [2,0,1,0,0,0|1,0,0]=4 835 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [2,0,1,0,0,0|1,0,0]=4 836 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [2,0,1,0,0,0|1,0,0]=4 837 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [2,0,1,0,0,0|1,0,0]=4 838 B6R0.5 CCCC(C)(C)N Z1262250787 [2,0,1,0,0,0|0,0,1]=4 839 B6R0.5 CCCC(C)(C)O Z449374450 [2,0,1,0,0,0|1,0,0]=4 840 B6R0.8 C=CC(C)(N)CC Z3042074270 [2,0,1,0,0,0|1,0,0]=4 841 B6R0.8 CCC(C)(N)CC Z1267881628 [2,0,1,0,0,0|0,0,1]=4 842 B6R0.8 CCC(C)(N)CO Z734150850 [2,0,1,0,0,0|0,0,1]=4 843 B6R0.8 CCC(C)(O)CC Z449374480 [2,0,1,0,0,0|1,0,0]=4 844 B6R0.7 CC(C)(F)C(=O)O Z1201622349 [2,0,1,0,0,0|1,0,0]=4 845 B6R0.7 CC(C)(N)C(=O)N Z752371206 [2,0,1,0,0,0|1,0,0]=4 846 B6R0.7 CC(C)(N)C(=O)O Z317024776 [2,0,1,0,0,0|0,0,0]=3 847 B6R1.2 NC1CCOC1 Z802544198 [3,0,0,0,0,0|1,0,0]=4 848 B6R1.2 NC1CCSC1 Z1267885911 [3,0,0,0,0,0|1,0,0]=4 849 B6R1.2 O=S1CCCC1 Z278052312 [3,0,0,0,0,0|1,0,0]=4 850 B6R1.2 OC1CCOC1 Z1124541349 [3,0,0,0,0,0|1,0,0]=4 851 B6R1.2 OC1CCSC1 Z335244836 [3,0,0,0,0,0|1,0,0]=4 852 B6R1.2 O[C@@H]1CCNC1 Z1263714129 [3,0,0,0,0,0|1,0,0]=4 853 B6R1.2 O[C@H]1CCNC1 Z1263714116 [3,0,0,0,0,0|1,0,0]=4 854 B8R0.3 CCCC(C)C(N)CO Z2379035176 [1,1,1,0,0,0|0,0,1]=4 855 B8R0.9 CC(C)CCC(N)CO Z1198179431 [1,1,1,0,0,0|0,0,1]=4 856 B8R0.19 CCC(C)CC(N)CO Z1198179422 [1,1,1,0,0,0|0,0,1]=4 857 B8R0.25 CCCCC(C)(N)CO Z2379804923 [1,1,1,0,0,0|0,0,1]=4 858 B8R0.5 CC(CCN)CC(=O)O Z1442184827 [1,1,1,0,0,0|1,0,0]=4 859 B8R0.5 CCCC(C)CC(=O)O Z352782810 [1,1,1,0,0,0|0,0,0]=3 860 B8R0.5 CCCC(O)CC(=O)O Z982132146 [1,1,1,0,0,0|0,0,0]=3 861 B8R0.5 CCCN(C)CC(=O)O Z1259273358 [1,1,1,0,0,0|1,0,0]=4 862 B8R0.5 CCNC(C)CC(=O)O Z1259161935 [1,1,1,0,0,0|1,0,0]=4 863 B8R0.5 COCC(C)CC(=O)O Z992443864 [1,1,1,0,0,0|1,0,0]=4 864 B8R0.7 CC#CCCCC(=O)O Z1205494323 [1,1,1,0,0,0|0,0,1]=4 865 B8R0.7 CCCCCCC(=O)O Z104474412 [1,1,1,0,0,0|0,0,0]=3 866 B8R0.7 CCCCNCC(=O)N Z398513412 [1,1,1,0,0,0|1,0,0]=4 867 B8R0.7 CCCCOCC(=O)O Z409190912 [1,1,1,0,0,0|0,0,0]=3 868 B8R0.7 CCCCSCC(=O)O Z239951532 [1,1,1,0,0,0|0,0,0]=3 869 B8R0.7 CCCNCCC(=O)O Z2944330072 [1,1,1,0,0,0|0,0,0]=3 870 B8R0.7 CCNCCCC(=O)O Z2937339976 [1,1,1,0,0,0|0,0,0]=3 871 B8R0.7 CCOCCCC(=O)O Z316258950 [1,1,1,0,0,0|0,0,0]=3 872 B8R0.7 CNCCCCC(=O)O Z3034937142 [1,1,1,0,0,0|0,0,0]=3 873 B8R0.7 COCCCCC(=O)O Z362633826 [1,1,1,0,0,0|0,0,0]=3 874 B8R0.7 COCCNCC(=O)O Z1276446903 [1,1,1,0,0,0|1,0,0]=4 875 B8R0.7 COCCOCC(=O)O Z104477918 [1,1,1,0,0,0|1,0,0]=4 876 B8R0.7 COCCSCC(=O)O Z167837764 [1,1,1,0,0,0|1,0,0]=4 877 B8R0.7 CSCCCCC(=O)O Z732206636 [1,1,1,0,0,0|0,0,0]=3 878 B8R0.7 CSCCNCC(=O)O Z2512524162 [1,1,1,0,0,0|1,0,0]=4 879 B8R0.7 NCCCCCC(=O)O Z1272730910 [1,1,1,0,0,0|0,0,0]=3 880 B8R0.7 NCCCOCC(=O)O Z3178895188 [1,1,1,0,0,0|1,0,0]=4 881 B8R0.7 NCCOCCC(=O)O Z1262546494 [1,1,1,0,0,0|1,0,0]=4 882 B8R0.7 O=C(O)CCCCCBr Z104477716 [1,1,1,0,0,0|0,0,0]=3 883 B8R0.7 O=C(O)CCCCCF Z1205494157 [1,1,1,0,0,0|0,0,0]=3 884 B8R0.7 O=C(O)CCNCCO Z53116574 [1,1,1,0,0,0|1,0,0]=4 885 B8R0.28 CC(=O)CCCC(=O)O Z147652222 [1,1,1,0,0,0|0,0,1]=4 886 B8R0.28 CC(C)CCCC(=O)O Z426022098 [1,1,1,0,0,0|0,0,0]=3 887 B8R0.28 CC(C)CNCC(=O)O Z1259273209 [1,1,1,0,0,0|1,0,0]=4 888 B8R0.28 CC(C)CSCC(=O)O Z96112845 [1,1,1,0,0,0|1,0,0]=4 889 B8R0.28 CC(C)NCCC(=O)O Z235348215 [1,1,1,0,0,0|1,0,0]=4 890 B8R0.28 CC(C)OCCC(=O)O Z316259248 [1,1,1,0,0,0|1,0,0]=4 891 B8R0.28 CC(N)CCCC(=O)O Z1551469174 [1,1,1,0,0,0|0,0,0]=3 892 B8R0.28 CC(N)COCC(=O)O Z3789755599 [1,1,1,0,0,0|1,0,0]=4 893 B8R0.28 CC(O)CCCC(=O)[O-] Z1762997411 [1,1,1,0,0,0|0,0,1]=4 894 B8R0.2 CCC(C)C(C)C(=O)O Z792363910 [1,1,1,0,0,0|0,0,0]=3 895 B8R0.2 CCC(C)C(N)C(=O)N Z56979347 [1,1,1,0,0,0|1,0,0]=4 896 B8R0.2 CCC(C)C(N)C(=O)O Z104473608 [1,1,1,0,0,0|0,0,0]=3 897 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O Z1203578023 [1,1,1,0,0,0|0,0,0]=3 898 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O Z1203578040 [1,1,1,0,0,0|0,0,0]=3 899 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O Z1205494177 [1,1,1,0,0,0|0,0,0]=3 900 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O Z1201618644 [1,1,1,0,0,0|0,0,0]=3 901 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O Z756427442 [1,1,1,0,0,0|0,0,0]=3 902 B8R0.2 CSC(C)C(N)C(=O)O Z4511736963 [1,1,1,0,0,0|1,0,0]=4 903 B8R0.15 CCCC(CC)C(=O)O Z756391368 [1,1,1,0,0,0|0,0,0]=3 904 B8R0.15 CCCC(CN)C(=O)O Z970060188 [1,1,1,0,0,0|0,0,0]=3 905 B8R0.15 CCCC(OC)C(=O)O Z1201627136 [1,1,1,0,0,0|0,0,0]=3 906 B8R0.15 CCNC(CC)C(=O)O Z3271143096 [1,1,1,0,0,0|1,0,0]=4 907 B8R0.15 CCNC(CO)C(=O)O Z4780865118 [1,1,1,0,0,0|1,0,0]=4 908 B8R0.15 CCOC(CC)C(=O)O Z449367060 [1,1,1,0,0,0|1,0,0]=4 909 B8R0.15 CNC(COC)C(=O)O Z1250132318 [1,1,1,0,0,0|1,0,0]=4 910 B8R0.23 C=C(C)CC(N)C(=O)O Z317024962 [1,1,1,0,0,0|0,0,1]=4 911 B8R0.23 CC(C)CC(C)C(=O)O Z756390494 [1,1,1,0,0,0|0,0,0]=3 912 B8R0.23 CC(C)CC(N)C(=O)O Z57127546 [1,1,1,0,0,0|0,0,0]=3 913 B8R0.23 CC(C)C[C@@H](N)C(=O)O Z850973972 [1,1,1,0,0,0|0,0,0]=3 914 B8R0.23 CC(C)C[C@H](N)C(=O)O Z756437526 [1,1,1,0,0,0|0,0,0]=3 915 B8R0.23 CC(C)NC(C)C(=O)O Z449368966 [1,1,1,0,0,0|1,0,0]=4 916 B8R0.23 CC(C)SC(C)C(=O)O Z214845364 [1,1,1,0,0,0|1,0,0]=4 917 B8R0.23 CC(CC(F)F)C(=O)O Z1198342616 [1,1,1,0,0,0|1,0,0]=4 918 B8R0.23 CC(CN(C)C)C(=O)O Z2106602539 [1,1,1,0,0,0|1,0,0]=4 919 B8R0.23 CC(CS(=O)C)C(=O)O Z802572188 [1,1,1,0,0,0|1,0,0]=4 920 B8R0.23 CC(N)CC(C)C(=O)O Z5272192378 [1,1,1,0,0,0|0,0,0]=3 921 B8R0.23 NC(CC(F)F)C(=O)O Z1250080925 [1,1,1,0,0,0|1,0,0]=4 922 B8R0.34 CC(C)CC(C)(N)CO Z734150960 [1,1,1,0,0,0|0,0,1]=4 923 B8R0.37 CC(C)C(C)(C)C(=O)O Z1198160164 [1,1,1,0,0,0|1,0,0]=4 924 B8R0.37 CC(C)C(C)(O)C(=O)O Z991569008 [1,1,1,0,0,0|1,0,0]=4 925 B8R0.37 CC(N)(C(=O)O)C(F)F Z3185477658 [1,1,1,0,0,0|1,0,0]=4 926 B8R0.37 CC(O)C(C)(N)C(=O)O Z2768110660 [1,1,1,0,0,0|0,0,0]=3 927 B8R0.37 CC(O)C(C)(O)C(=O)O Z1205494313 [1,1,1,0,0,0|1,0,0]=4 928 B8R0.18 CC(C)C(CN)C(=O)O Z1259162105 [1,1,1,0,0,0|1,0,0]=4 929 B8R0.18 CC(C)C(CO)C(=O)O Z1205494781 [1,1,1,0,0,0|1,0,0]=4 930 B8R0.18 CCC(C(=O)O)N(C)C Z1431904010 [1,1,1,0,0,0|1,0,0]=4 931 B8R0.18 CSC(C(=O)O)C(C)C Z732206602 [1,1,1,0,0,0|1,0,0]=4 932 B8R0.20 CCC(CN)C(=O)OC Z2379806941 [1,1,1,0,0,0|1,0,0]=4 933 B8R0.20 CCC(CO)C(=O)OC Z1255448041 [1,1,1,0,0,0|1,0,0]=4 934 B8R0.20 CCC(NC)C(=O)OC Z1770192987 [1,1,1,0,0,0|1,0,0]=4 935 B8R0.10 CCC(CC)(CN)CO Z945434714 [1,1,1,0,0,0|0,0,1]=4 936 B8R1.1 CC1CCC(C1)C=O Z1268606446 [2,1,0,0,0,0|0,0,0]=3 937 B8R1.8 O/N=C/C1CCOC1 Z218486076 [2,1,0,0,0,0|1,0,0]=4 938 B8R1.8 O=C=NC1CCCC1 Z316172554 [2,1,0,0,0,0|0,0,1]=4 939 B8R1.8 O=CCC1CCCC1 Z993017732 [2,1,0,0,0,0|0,0,0]=3 940 B8R1.8 O=CCC1CCCO1 Z1183458964 [2,1,0,0,0,0|1,0,0]=4 941 B8R1.8 O=CCC1CCOC1 Z1138844345 [2,1,0,0,0,0|1,0,0]=4 942 B8R1.8 OCCC1CCCC1 Z397587408 [2,1,0,0,0,0|0,0,1]=4 943 B8R1.11 C=C[C@@H]1CCC[C@H]1O Z3015056914 [2,1,0,0,0,0|1,0,0]=4 944 B8R1.11 CC1CCCC1C=O Z1268606470 [2,1,0,0,0,0|0,0,0]=3 945 B8R1.11 CC1OCCC1C=O Z1342837783 [2,1,0,0,0,0|1,0,0]=4 946 B8R1.11 N[C@H]1CCC[C@H]1CO Z1198220662 [2,1,0,0,0,0|0,0,1]=4 947 B8R1.19 CC1CCCC1(C)N Z1509036056 [2,1,0,0,0,0|0,0,1]=4 948 B8R1.19 C[C@]1(CCC[C@H]1O)O Z3037315217 [2,1,0,0,0,0|1,0,0]=4 949 B8R1.51 CC1CCC(C1)(C)N Z4358474993 [2,1,0,0,0,0|0,0,1]=4 950 B8R1.23 CC1CC(C1)C(=O)O Z1198158393 [1,1,0,0,1,0|0,0,0]=3 951 B8R1.23 CN1CC(C1)C(=O)O Z1198330195 [1,1,0,0,1,0|1,0,0]=4 952 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O Z360056576 [1,1,0,0,1,0|0,0,0]=3 953 B8R1.23 O=C([O-])[C@H]1C[C@@H](C1)O Z4399321929 [1,1,0,0,1,0|0,0,1]=4 954 B8R1.23 O=C1CC(C1)C(=O)O Z235344247 [1,1,0,0,1,0|0,0,1]=4 955 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O Z2471604870 [1,1,0,0,1,0|0,0,0]=3 956 B8R1.31 O=C(O)C1CCC1F Z2035936452 [1,1,0,0,1,0|0,0,0]=3 957 B8R1.38 CCC(=O)C1CCC1 Z1251352405 [1,1,0,0,1,0|1,0,0]=4 958 B8R1.38 COC(=O)C1CCC1 Z18374544 [1,1,0,0,1,0|0,0,0]=3 959 B8R1.38 NCC(=O)C1CCC1 Z2568737813 [1,1,0,0,1,0|1,0,0]=4 960 B8R1.38 O=C(CCl)C1CCC1 Z1238572148 [1,1,0,0,1,0|1,0,0]=4 961 B8R1.60 CCC1(CCC1)C=O Z1222425042 [1,1,0,0,1,0|1,0,0]=4 962 B8R1.60 COC1(CCC1)C=O Z2098816729 [1,1,0,0,1,0|1,0,0]=4 963 B8R1.60 CSC1(CCC1)C=O Z1511824130 [1,1,0,0,1,0|1,0,0]=4 964 B8R1.60 O=CC1(CCC1)CCl Z2301248860 [1,1,0,0,1,0|1,0,0]=4 965 B8R1.60 O=CC1(CCC1)CF Z3243589447 [1,1,0,0,1,0|1,0,0]=4 966 B8R1.62 CC1CC(C1)(C)C=O Z1813377235 [1,1,0,0,1,0|1,0,0]=4 967 B8R1.62 NC1(CC(C1)O)CO Z4354944969 [1,1,0,0,1,0|0,0,1]=4 968 B8R1.62 N[C@@]1(C[C@@H](C1)O)CO Z4425391382 [1,1,0,0,1,0|0,0,1]=4 969 B8R1.66 COCC1(CCC1)N Z1255358298 [1,1,0,0,1,0|0,0,1]=4 970 B8R1.66 NC1(CCC1)CCO Z1335657821 [1,1,0,0,1,0|0,0,1]=4 971 B8R1.30 C[C@@H]1C[C@]1(N)C(=O)O Z4134701167 [0,1,0,0,2,0|0,0,0]=3 972 B8R1.39 CNC(=O)C1(CC1)N Z1457934833 [0,1,0,0,2,0|1,0,0]=4 973 B8R1.39 COC(=O)C1(CC1)N Z1552027431 [0,1,0,0,2,0|0,0,0]=3 974 B8R1.63 C#CC1(CC1)C(=O)O Z1205656207 [0,1,0,0,2,0|1,0,0]=4 975 B8R1.63 CNC1(CC1)C(=O)O Z3022016916 [0,1,0,0,2,0|0,0,0]=3 976 B8R1.63 COC1(CC1)C(=O)O Z1205494389 [0,1,0,0,2,0|1,0,0]=4 977 B8R1.63 N#CC1(CC1)C(=O)O Z825761122 [0,1,0,0,2,0|0,0,1]=4 978 B8R1.63 NCC1(CC1)C(=O)O Z2234185648 [0,1,0,0,2,0|0,0,0]=3 979 B8R1.63 O=C(O)C1(CC1)CO Z1205494853 [0,1,0,0,2,0|1,0,0]=4 980 B8R1.63 O=CC1(CC1)C(=O)O Z1205496088 [0,1,0,0,2,0|1,0,0]=4 981 B10R0.6 CCCCCC(C)CC(=O)O Z1198151370 [0,1,1,0,0,1|1,0,0]=4 982 B10R0.6 CCCCCC(O)CC(=O)O Z982131990 [0,1,1,0,0,1|1,0,0]=4 983 B10R0.81 CCCCC(N)C(O)C(=O)O Z1238572379 [0,1,1,0,0,1|0,0,0]=3 984 B10R0.87 CCCCC(CC)CC(=O)O Z839109290 [0,1,1,0,0,1|1,0,0]=4 985 B10R0.148 COCC(C)(N)CC(=O)OC Z1335029314 [0,1,1,0,0,1|1,0,0]=4 986 B10R0.134 CCC(N)(CC)CC(=O)OC Z1337422352 [0,1,1,0,0,1|0,0,0]=3 987 B10R0.43 CC(C)CCC(C)(N)C(=O)O Z398557150 [0,2,1,0,0,0|0,0,0]=3 988 B10R0.82 CCC(N)COC(C)C(=O)O Z5122110101 [0,2,1,0,0,0|1,0,0]=4 989 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O Z1198152810 [0,2,1,0,0,0|0,0,1]=4 990 B10R0.82 COC(=O)CC[C@H](N)C(=O)O Z1741982704 [0,2,1,0,0,0|0,0,1]=4 991 B10R0.92 CC(C)(C)CCC(N)C(=O)N Z1889917254 [0,2,1,0,0,0|1,0,0]=4 992 B10R0.92 CC(C)(C)CCC(N)C(=O)O Z819991814 [0,2,1,0,0,0|0,0,0]=3 993 B10R0.92 CC(CCC(C)(C)C)C(=O)O Z819995662 [0,2,1,0,0,0|1,0,0]=4 994 B10R0.92 CP(=O)(O)CCC(N)C(=O)O Z2737639744 [0,2,1,0,0,0|1,0,0]=4 995 B10R0.92 CS(=O)(=O)CCC(N)C(=O)O Z5517615815 [0,2,1,0,0,0|1,0,0]=4 996 B10R0.92 NC(CCC(F)(F)F)C(=O)O Z1954804076 [0,2,1,0,0,0|1,0,0]=4 997 B10R0.19 CCOC(=O)C(N)CCOC Z3048294005 [0,2,1,0,0,0|1,0,0]=4 998 B10R0.19 CCOCC(N)C(=O)OCC Z3445798186 [0,2,1,0,0,0|1,0,0]=4 999 B10R0.83 CCCCCC(N)C(=O)OC Z1398461596 [0,2,1,0,0,0|0,0,0]=3 1000 B10R0.83 CCCCCC(O)C(=O)OC Z965047444 [0,2,1,0,0,0|1,0,0]=4 1001 B10R0.85 CNC(CCSC)C(=O)OC Z3899878399 [0,2,1,0,0,0|1,0,0]=4 1002 B10R0.17 CSCCC(C(=O)O)N(C)C Z565906654 [0,2,1,0,0,0|1,0,0]=4 1003 B10R0.86 CCCCCC(CC)C(=O)O Z756391304 [0,2,1,0,0,0|1,0,0]=4 1004 B10R0.26 CCCC(C)CC(N)C(=O)O Z970064328 [0,2,1,0,0,0|0,0,0]=3 1005 B10R0.42 CCCCCC(C)(C)C(=O)O Z995179614 [0,2,1,0,0,0|1,0,0]=4 1006 B10R0.75 CCCCCCC(C)C(=O)O Z756390482 [0,2,1,0,0,0|1,0,0]=4 1007 B10R0.75 CCOCCOC(C)C(=O)O Z316258976 [0,2,1,0,0,0|1,0,0]=4 1008 B10R0.75 NCCCSCC(N)C(=O)O Z2065464260 [0,2,1,0,0,0|0,0,0]=3 1009 B10R0.75 N[C@@H](CSSCCO)C(=O)O Z1198169002 [0,2,1,0,0,0|1,0,0]=4 1010 B10R0.98 CC(C)CCCC(N)C(=O)O Z2855996233 [0,2,1,0,0,0|0,0,0]=3 1011 B10R0.98 CC(C)CCOC(C)C(=O)O Z316259086 [0,2,1,0,0,0|1,0,0]=4 1012 B10R0.98 CC(N)CCCC(C)C(=O)O Z1258848487 [0,2,1,0,0,0|1,0,0]=4 1013 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O Z1255486317 [0,2,1,0,0,0|0,0,1]=4 1014 B10R0.117 CC(C)C(N)C(C)(C)C(=O)O Z2787257706 [0,2,1,0,0,0|1,0,0]=4 1015 B10R0.117 CC(C)C(O)C(C)(C)C(=O)O Z982140642 [0,2,1,0,0,0|1,0,0]=4 1016 B10R0.163 CC(C)(C)CC(C)(C)C(=O)O Z1262511189 [0,2,1,0,0,0|1,0,0]=4 1017 B10R0.103 CCCC(C)(CCC)C(=O)O Z995181442 [0,2,1,0,0,0|1,0,0]=4 1018 B10R0.130 CCOC(=O)C(N)(CC)CC Z2213893375 [0,2,1,0,0,0|0,0,0]=3 1019 B10R0.136 CCC(C#N)(CC)C(=O)OC Z825761112 [0,2,1,0,0,0|0,0,1]=4 1020 B10R0.136 CCC(CC)(CN)C(=O)OC Z1495385209 [0,2,1,0,0,0|0,0,0]=3 1021 B10R0.173 CCC(N)(C(=O)O)C(F)(F)F Z1820078333 [0,2,1,0,0,0|1,0,0]=4 1022 B10R0.159 CCC(CC)(C(=O)O)C(=O)O Z56922104 [0,2,1,0,0,0|1,0,0]=4 1023 B10R1.23 CC(=C1CCCC1)C(=O)O Z1205494373 [1,1,0,0,0,1|0,0,1]=4 1024 B10R1.23 CC(C(=O)O)C1CCCC1 Z993955140 [1,1,0,0,0,1|0,0,0]=3 1025 B10R1.23 CC(C(=O)O)N1CCCC1 Z1459956121 [1,1,0,0,0,1|1,0,0]=4 1026 B10R1.23 NC(C(=O)O)C1CCCC1 Z1259162146 [1,1,0,0,0,1|0,0,0]=3 1027 B10R1.23 O=C(O)C(=C1CCCC1)F Z1205656057 [1,1,0,0,0,1|0,0,1]=4 1028 B10R1.23 O=C(O)C(O)C1CCCC1 Z941196766 [1,1,0,0,0,1|0,0,0]=3 1029 B10R1.23 O=C(O)C(O)C1CCNC1 Z1203819582 [1,1,0,0,0,1|1,0,0]=4 1030 B10R1.27 C=CC(=O)NC1CCCC1 Z440633566 [1,1,0,0,0,1|1,0,0]=4 1031 B10R1.27 CNC(=O)NC1CCCC1 Z177091480 [1,1,0,0,0,1|1,0,0]=4 1032 B10R1.27 COC(=O)CC1CCCN1 Z1945708482 [1,1,0,0,0,1|1,0,0]=4 1033 B10R1.27 COC(=O)CN1CCCC1 Z57725199 [1,1,0,0,0,1|1,0,0]=4 1034 B10R1.27 NCC(=O)NC1CCCC1 Z1449764432 [1,1,0,0,0,1|1,0,0]=4 1035 B10R1.27 O=C(CCl)CC1CCCC1 Z1386913430 [1,1,0,0,0,1|1,0,0]=4 1036 B10R1.27 O=C(CCl)NC1CCCC1 Z56896272 [1,1,0,0,0,1|1,0,0]=4 1037 B10R1.27 O=C(CO)NC1CCCC1 Z431952118 [1,1,0,0,0,1|0,0,0]=3 1038 B10R1.54 CC1CC(CN1)CC(=O)O Z4762765581 [1,1,0,0,0,1|1,0,0]=4 1039 B10R1.54 CC1CC/C(=C\C(=O)O)/C1 Z1868431092 [1,1,0,0,0,1|0,0,1]=4 1040 B10R1.54 CC1CCC(C1)CC(=O)O Z1205494179 [1,1,0,0,0,1|0,0,0]=3 1041 B10R1.54 CC1CCC(O1)CC(=O)O Z1205494903 [1,1,0,0,0,1|1,0,0]=4 1042 B10R1.54 CC1CCN(C1)CC(=O)O Z1459983829 [1,1,0,0,0,1|1,0,0]=4 1043 B10R1.54 CN1CCC(C1)CC(=O)O Z2492774445 [1,1,0,0,0,1|1,0,0]=4 1044 B10R1.54 N[C@@H]1CC[C@@H](C1)CC(=O)O Z3070901966 [1,1,0,0,0,1|0,0,0]=3 1045 B10R1.64 CC1CCCC1CC(=O)O Z1198168867 [1,1,0,0,0,1|0,0,0]=3 1046 B10R1.64 CC\1CCC/C1=C\C(=O)O Z1205498287 [1,1,0,0,0,1|0,0,1]=4 1047 B10R1.64 O=C(O)C[C@@H]1CCC[C@H]1O Z2944218660 [1,1,0,0,0,1|0,0,0]=3 1048 B10R1.64 O=C(O)C[C@@H]1COC[C@H]1O Z3197133376 [1,1,0,0,0,1|1,0,0]=4 1049 B10R1.230 CC1CCCCC1(N)CO Z2895331646 [1,1,0,0,0,1|0,0,1]=4 1050 B10R1.377 CC1(CCOCC1)CC=O Z2466490037 [1,1,0,0,0,1|1,0,0]=4 1051 B10R1.377 NC1(CCCCC1)CCO Z1198728181 [1,1,0,0,0,1|0,0,1]=4 1052 B10R1.377 NC1(CCNCC1)CCO Z3481417147 [1,1,0,0,0,1|0,0,1]=4 1053 B10R1.377 NC1(CCOCC1)CCO Z1258990777 [1,1,0,0,0,1|0,0,1]=4 1054 B10R1.377 NC1(CCSCC1)CCO Z3304390751 [1,1,0,0,0,1|0,0,1]=4 1055 B10R1.473 CC1CCC(CC1)(N)CO Z1601562499 [1,1,0,0,0,1|0,0,1]=4 1056 B10R1.487 C=CC1(CCOCC1)C=O Z3681226378 [1,1,0,0,0,1|1,0,0]=4 1057 B10R1.487 CCC1(CCCCC1)C=O Z1813169566 [1,1,0,0,0,1|1,0,0]=4 1058 B10R1.487 CCC1(CCOCC1)C=O Z1255459496 [1,1,0,0,0,1|1,0,0]=4 1059 B10R1.487 CNC1(CCOCC1)CO Z734147462 [1,1,0,0,0,1|0,0,1]=4 1060 B10R1.487 CNC1(CCSCC1)CO Z1266933851 [1,1,0,0,0,1|0,0,1]=4 1061 B10R1.487 COC1(CCCCC1)C=O Z1511879806 [1,1,0,0,0,1|1,0,0]=4 1062 B10R1.487 COC1(CCCOC1)C=O Z2301377234 [1,1,0,0,0,1|1,0,0]=4 1063 B10R1.487 COC1(CCOCC1)C=O Z1511770711 [1,1,0,0,0,1|1,0,0]=4 1064 B10R1.487 NCC1(CCCCC1)CO Z1365534339 [1,1,0,0,0,1|0,0,1]=4 1065 B10R1.487 NCC1(CCCOC1)CO Z4156647232 [1,1,0,0,0,1|0,0,1]=4 1066 B10R1.487 NCC1(CCOCC1)CO Z945434608 [1,1,0,0,0,1|0,0,1]=4 1067 B10R1.487 O=CC1(CCOCC1)CCl Z2301251348 [1,1,0,0,0,1|1,0,0]=4 1068 B10R1.9 COC(C=O)C1CCCC1 Z2694746120 [1,2,0,0,0,0|0,0,1]=4 1069 B10R1.11 CCCC(=O)C1CCCC1 Z513735600 [1,2,0,0,0,0|1,0,0]=4 1070 B10R1.11 CCOC(=O)C1CCCC1 Z53835896 [1,2,0,0,0,0|0,0,0]=3 1071 B10R1.11 CCOC(=O)C1CCCN1 Z361885340 [1,2,0,0,0,0|1,0,0]=4 1072 B10R1.11 CCOC(=O)C1CCOC1 Z802555350 [1,2,0,0,0,0|1,0,0]=4 1073 B10R1.11 CCOC(=O)[C@H]1CCCN1 Z2327570058 [1,2,0,0,0,0|1,0,0]=4 1074 B10R1.14 COC(=O)N1CCC(C1)N Z1262398482 [1,2,0,0,0,0|1,0,0]=4 1075 B10R1.14 COC(=O)[C@@H]1CC[C@@H](C1)N Z2309862002 [1,2,0,0,0,0|0,0,0]=3 1076 B10R1.14 COC(=O)[C@@H]1C[C@@H](CS1)N Z3476139903 [1,2,0,0,0,0|1,0,0]=4 1077 B10R1.149 COC(=O)C1CCCN1C Z905213162 [1,2,0,0,0,0|1,0,0]=4 1078 B10R1.149 COC(=O)C1CCOC1C Z1263715989 [1,2,0,0,0,0|1,0,0]=4 1079 B10R1.149 COC(=O)[C@@H]1CCC[C@H]1N Z2327884296 [1,2,0,0,0,0|0,0,0]=3 1080 B10R1.149 COC(=O)[C@@H]1CNC[C@H]1C Z1955367646 [1,2,0,0,0,0|1,0,0]=4 1081 B10R1.31 C#C[C@H]1CC[C@H](N1)C(=O)O Z5870110869 [1,2,0,0,0,0|1,0,0]=4 1082 B10R1.31 CCC1CCC(N1)C(=O)O Z2417581629 [1,2,0,0,0,0|1,0,0]=4 1083 B10R1.31 CCC1CCC(O1)C(=O)O Z1389029400 [1,2,0,0,0,0|1,0,0]=4 1084 B10R1.31 CCN1CCC(C1)C(=O)O Z1459883437 [1,2,0,0,0,0|1,0,0]=4 1085 B10R1.31 CC[C@@H]1CN[C@@H](C1)C(=O)O Z3490158686 [1,2,0,0,0,0|1,0,0]=4 1086 B10R1.31 COC1CCC(C1)C(=O)O Z1509041249 [1,2,0,0,0,0|0,0,0]=3 1087 B10R1.31 CO[C@@H]1CN[C@@H](C1)C(=O)O Z1203733743 [1,2,0,0,0,0|1,0,0]=4 1088 B10R1.31 CO[C@H]1CN[C@@H](C1)C(=O)O Z1203732431 [1,2,0,0,0,0|1,0,0]=4 1089 B10R1.31 NC[C@@H]1CC[C@@H](O1)C(=O)O Z2568677836 [1,2,0,0,0,0|1,0,0]=4 1090 B10R1.58 C[C@@H]1C[C@@H](CN1C)C(=O)O Z3678692412 [1,2,0,0,0,0|1,0,0]=4 1091 B10R1.58 N[C@@H]1C[C@@H](C[C@H]1O)C(=O)O Z3335066881 [1,2,0,0,0,0|0,0,0]=3 1092 B10R1.58 N[C@H]1C[C@H](C[C@H]1O)C(=O)O Z5062872452 [1,2,0,0,0,0|0,0,0]=3 1093 B10R1.58 O=C(O)C1C[C@@H]([C@H](C1)Br)Br Z540724856 [1,2,0,0,0,0|0,0,0]=3 1094 B10R1.58 O=C(O)[C@@H]1C[C@@H]([C@@H](C1)O)O Z2704517658 [1,2,0,0,0,0|0,0,0]=3 1095 B10R1.59 CC1CC(C(O1)C(=O)O)C Z1947908132 [1,2,0,0,0,0|1,0,0]=4 1096 B10R1.59 CN1C[C@@H](C[C@@H]1C(=O)O)O Z3247574257 [1,2,0,0,0,0|1,0,0]=4 1097 B10R1.59 N[C@@H]1C[C@@H](C[C@@H]1C(=O)O)O Z2939860921 [1,2,0,0,0,0|0,0,0]=3 1098 B10R1.194 CC1C(CCN1C)C(=O)O Z1839475263 [1,2,0,0,0,0|1,0,0]=4 1099 B10R1.194 C[C@@H]1[C@@H](CCN1C)C(=O)O Z2379806278 [1,2,0,0,0,0|1,0,0]=4 1100 B10R1.194 O=C(O)[C@@H]1NC[C@H]([C@H]1O)O Z4081403377 [1,2,0,0,0,0|1,0,0]=4 1101 B10R1.359 CC1(CC(CN1)C(=O)O)C Z4238522538 [1,2,0,0,0,0|1,0,0]=4 1102 B10R1.359 CC1(CCC(C1)C(=O)O)C Z1205496980 [1,2,0,0,0,0|0,0,0]=3 1103 B10R1.359 CC1(CCC(N1)C(=O)O)C Z1762997323 [1,2,0,0,0,0|1,0,0]=4 1104 B10R1.359 CC1(CNC(C1)C(=O)O)C Z3247793866 [1,2,0,0,0,0|1,0,0]=4 1105 B10R1.359 O=C(O)C1CC(CN1)(F)F Z1815156403 [1,2,0,0,0,0|1,0,0]=4 1106 B10R1.359 O=C(O)C1CCC(C1)(F)F Z1255366935 [1,2,0,0,0,0|0,0,0]=3 1107 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 Z104341242 [1,2,0,0,0,0|1,0,0]=4 1108 B10R1.39 CCC1CCCC1C(=O)O Z1205495847 [1,2,0,0,0,0|0,0,0]=3 1109 B10R1.39 CCC1CCNC1C(=O)O Z1262517253 [1,2,0,0,0,0|1,0,0]=4 1110 B10R1.39 CCC1NCCC1C(=O)O Z2096659316 [1,2,0,0,0,0|1,0,0]=4 1111 B10R1.39 CCC1OCCC1C(=O)O Z1318264615 [1,2,0,0,0,0|1,0,0]=4 1112 B10R1.39 CC[C@@H]1CCO[C@@H]1C(=O)O Z2525786659 [1,2,0,0,0,0|1,0,0]=4 1113 B10R1.39 NCC1OCCC1C(=O)O Z2237698503 [1,2,0,0,0,0|1,0,0]=4 1114 B10R1.39 NC[C@H]1CCC[C@H]1C(=O)O Z2213889147 [1,2,0,0,0,0|0,0,0]=3 1115 B10R1.39 O=NN1CCC[C@H]1C(=O)O Z1198157871 [1,2,0,0,0,0|1,0,0]=4 1116 B10R1.128 CC1(CCCC1C(=O)O)C Z1205494169 [1,2,0,0,0,0|0,0,0]=3 1117 B10R1.128 CC1(CCNC1C(=O)O)C Z2301438439 [1,2,0,0,0,0|1,0,0]=4 1118 B10R1.128 CC1(CNCC1C(=O)O)C Z1741975323 [1,2,0,0,0,0|1,0,0]=4 1119 B10R1.128 CC1(NCCC1C(=O)O)C Z3485881429 [1,2,0,0,0,0|1,0,0]=4 1120 B10R1.128 CC1(OCCC1C(=O)O)C Z1205495057 [1,2,0,0,0,0|1,0,0]=4 1121 B10R1.128 C[C@]1(CCC[C@@H]1C(=O)O)N Z2306832357 [1,2,0,0,0,0|0,0,0]=3 1122 B10R1.128 O=C(O)C1CCCC1(F)F Z1222424705 [1,2,0,0,0,0|0,0,0]=3 1123 B10R1.128 O=C(O)C1CCCS1(=O)=O Z1259179102 [1,2,0,0,0,0|1,0,0]=4 1124 B10R1.237 COC1(CCC(C1)C)C=O Z1511830015 [1,2,0,0,0,0|1,0,0]=4 1125 B10R1.238 CC1(CCC(C1)(N)CO)C Z3063838727 [1,2,0,0,0,0|0,0,1]=4 1126 B10R1.216 COCCC1(CCCC1)N Z992950524 [1,2,0,0,0,0|0,0,1]=4 1127 B10R1.529 C=CCC1(CCCC1)C=O Z1511764855 [1,2,0,0,0,0|1,0,0]=4 1128 B10R1.529 CCNC1(CCCC1)CO Z5197556879 [1,2,0,0,0,0|0,0,1]=4 1129 B10R1.529 CCOC1(CCCC1)C=O Z1511830013 [1,2,0,0,0,0|1,0,0]=4 1130 B10R1.529 COCC1(CCCC1)C=O Z2266851891 [1,2,0,0,0,0|1,0,0]=4 1131 B10R1.529 COCC1(CCCC1)CN Z1198275603 [1,2,0,0,0,0|0,0,1]=4 1132 B10R1.529 NCC1(CCCC1)CCO Z1295559787 [1,2,0,0,0,0|0,0,1]=4 1133 B10R1.227 COC1(CCC1)CC(=O)O Z1726128749 [0,1,0,0,1,1|1,0,0]=4 1134 B10R1.227 NCC1(CCC1)CC(=O)O Z1262528478 [0,1,0,0,1,1|0,0,0]=3 1135 B10R1.429 COC(=O)CC1(CCC1)N Z1255384828 [0,1,0,0,1,1|0,0,0]=3 1136 B10R1.495 O=C(O)C(O)C1(CCC1)O Z1205497473 [0,1,0,0,1,1|1,0,0]=4 1137 B10R1.234 CC1CC(C1)(C#N)C(=O)O Z1209445888 [0,2,0,0,1,0|0,0,1]=4 1138 B10R1.234 COC1(CC(C1)C)C(=O)O Z1847086517 [0,2,0,0,1,0|1,0,0]=4 1139 B10R1.234 CS[C@@]1(C[C@H](C1)N)C(=O)O Z5354480047 [0,2,0,0,1,0|1,0,0]=4 1140 B10R1.234 NCC1(CC(C1)O)C(=O)O Z2937631757 [0,2,0,0,1,0|0,0,0]=3 1141 B10R1.364 O=C(O)C1(CCC1)C(=O)O Z1205493599 [0,2,0,0,1,0|1,0,0]=4 1142 B10R1.381 C#CCC1(CCC1)C(=O)O Z1321881086 [0,2,0,0,1,0|1,0,0]=4 1143 B10R1.381 C=CCC1(CCC1)C(=O)O Z1205495475 [0,2,0,0,1,0|1,0,0]=4 1144 B10R1.381 CCCC1(CCC1)C(=O)O Z1205494252 [0,2,0,0,1,0|1,0,0]=4 1145 B10R1.381 COCC1(CCC1)C(=O)O Z1198323201 [0,2,0,0,1,0|1,0,0]=4 1146 B10R1.381 NCCC1(CCC1)C(=O)O Z2310673784 [0,2,0,0,1,0|0,0,0]=3 1147 B10R1.422 COC(=O)C1(CCC1)C=O Z1255401178 [0,2,0,0,1,0|1,0,0]=4 1148 B10R1.422 COC(=O)C1(CCC1)CO Z1532717307 [0,2,0,0,1,0|1,0,0]=4 1149 B10R1.424 COC(=O)C1(CC(C1)C)N Z3689012916 [0,2,0,0,1,0|0,0,0]=3 1150 B10R1.490 C#CC1CC(C1)(N)C(=O)O Z4657405282 [0,2,0,0,1,0|0,0,0]=3 1151 B10R1.490 COC1CC(C1)(N)C(=O)O Z3135795518 [0,2,0,0,1,0|0,0,0]=3 1152 B10R1.490 NC(=O)C1(CC(C1)CO)N Z3037487935 [0,2,0,0,1,0|1,0,0]=4 1153 B10R1.566 CC1(CC(C1)(F)F)C(=O)O Z1262527350 [0,2,0,0,1,0|1,0,0]=4 1154 B10R1.566 CC1(CC(C1)(N)C(=O)O)C Z3048844013 [0,2,0,0,1,0|0,0,0]=3 1155 B10R1.566 CC1(CC(C1)(O)C(=O)O)C Z1205497280 [0,2,0,0,1,0|1,0,0]=4 1156 B10R1.566 NC1(CC(C1)(F)F)C(=O)O Z1603778714 [0,2,0,0,1,0|0,0,0]=3 1157 B10R1.566 O=C(O)C1(CC(C1)(F)F)O Z3033360998 [0,2,0,0,1,0|1,0,0]=4 1158 B10R1.365 CC1(CCC1(N)C(=O)O)C Z5783123373 [0,2,0,0,1,0|0,0,0]=3 1159 B12R1.1035 CC1(CCCCNC1=O)C(=O)O Z3492502420 [0,1,0,0,0,2|1,0,0]=4 1160 B12R1.1731 COC(=O)C1(CCCCCC1)N Z285720872 [0,1,0,0,0,2|0,0,0]=3 1161 B12R1.1731 COC(=O)C1(CCCCCN1)C Z2863719202 [0,1,0,0,0,2|1,0,0]=4 1162 B12R1.2869 CC1CCCC(CC1)(O)C(=O)O Z1258689121 [0,1,0,0,0,2|1,0,0]=4 1163 B12R1.2206 CC1(CCCCC1)C(N)C(=O)O Z1742054995 [0,1,0,0,0,2|1,0,0]=4 1164 B12R1.2206 O=C(O)C(O)C1(CCOCC1)O Z2938744041 [0,1,0,0,0,2|1,0,0]=4 1165 B12R1.3524 COC(=O)CC1(CCCCC1)N Z1198174940 [0,1,0,0,0,2|0,0,0]=3 1166 B12R1.3524 COC(=O)CC1(CCNCC1)C Z5521426787 [0,1,0,0,0,2|1,0,0]=4 1167 B12R1.3524 COC(=O)CC1(CCOCC1)N Z1198174941 [0,1,0,0,0,2|0,0,0]=3 1168 B12R1.3862 CNC1(CCCCC1)CC(=O)O Z1258578429 [0,1,0,0,0,2|0,0,0]=3 1169 B12R1.3862 COC1(CCCCC1)CC(=O)O Z2301416422 [0,1,0,0,0,2|1,0,0]=4 1170 B12R1.3862 COC1(CCOCC1)CC(=O)O Z1836229595 [0,1,0,0,0,2|1,0,0]=4 1171 B12R1.3862 N#CC1(CCCCC1)CC(=O)O Z1198164598 [0,1,0,0,0,2|0,0,1]=4 1172 B12R1.3862 NCC1(CCCCC1)CC(=O)O Z336079954 [0,1,0,0,0,2|0,0,0]=3 1173 B12R1.1677 COC(=O)CCC1(CCCC1)N Z5437035887 [0,1,0,0,0,2|0,0,0]=3 1174 B12R1.529 CCC1CCC(CC1)(N)C(=O)O Z317024930 [0,2,0,0,0,1|0,0,0]=3 1175 B12R1.529 CO[C@H]1CC[C@](CC1)(N)C(=O)O Z5062990817 [0,2,0,0,0,1|0,0,0]=3 1176 B12R1.3088 CC1(CCC(CC1)(N)C(=O)O)C Z1981870432 [0,2,0,0,0,1|0,0,0]=3 1177 B12R1.3088 CC1(CCC(CC1)(O)C(=O)O)C Z1227601141 [0,2,0,0,0,1|1,0,0]=4 1178 B12R1.3088 NC(=O)C1(CCS(=O)(=O)CC1)N Z826527226 [0,2,0,0,0,1|1,0,0]=4 1179 B12R1.3088 NC1(CCC(CC1)(F)F)C(=O)O Z3589683676 [0,2,0,0,0,1|0,0,0]=3 1180 B12R1.3088 NC1(CCS(=O)(=O)CC1)C(=O)O Z826527348 [0,2,0,0,0,1|0,0,0]=3 1181 B12R1.3435 COC(=O)[C@@]1(CC[C@@H](CC1)C)N Z4919049222 [0,2,0,0,0,1|0,0,0]=3 1182 B12R1.3824 CCC1(CCC(CC1)O)C(=O)O Z1813242717 [0,2,0,0,0,1|1,0,0]=4 1183 B12R1.3824 CN1CCC(CC1)(C#N)C(=O)O Z4119576458 [0,2,0,0,0,1|0,0,1]=4 1184 B12R1.3824 N#CC1(CCC(=O)CC1)C(=O)O Z1255449372 [0,2,0,0,0,1|0,0,1]=4 1185 B12R1.1729 COC(=O)[C@]1(CCNC[C@@H]1O)O Z4425068247 [0,2,0,0,0,1|1,0,0]=4 1186 B12R1.1729 COC(=O)[C@]1(CNCC[C@@H]1O)O Z5904676058 [0,2,0,0,0,1|1,0,0]=4 1187 B12R1.3099 CC1(CCNCC1(F)F)C(=O)O Z4958190585 [0,2,0,0,0,1|1,0,0]=4 1188 B12R1.3006 CC1CC(CC(O1)C)(C)C(=O)O Z2692252002 [0,2,0,0,0,1|1,0,0]=4 1189 B12R1.3097 CC1(CC(CCO1)(N)C(=O)N)C Z1546080329 [0,2,0,0,0,1|1,0,0]=4 1190 B12R1.3097 CC1(CCCC(C1)(N)C(=O)O)C Z1229796970 [0,2,0,0,0,1|0,0,0]=3 1191 B12R1.3097 CC1(CCCC(C1)(O)C(=O)O)C Z1229797482 [0,2,0,0,0,1|1,0,0]=4 1192 B12R1.3097 NC1(CCCS(=O)(=O)C1)C(=O)O Z2216303132 [0,2,0,0,0,1|0,0,0]=3 1193 B12R1.3452 COC(=O)C1(CC(CCO1)N)C Z3025351262 [0,2,0,0,0,1|1,0,0]=4 1194 B12R1.1595 CCNC(=O)C1(CCCCC1)N Z444311464 [0,2,0,0,0,1|1,0,0]=4 1195 B12R1.1595 CCOC(=O)C1(CCCCC1)C Z1255492963 [0,2,0,0,0,1|1,0,0]=4 1196 B12R1.1595 CCOC(=O)C1(CCCCC1)N Z444311400 [0,2,0,0,0,1|0,0,0]=3 1197 B12R1.1595 CCOC(=O)C1(CCNCC1)O Z1250132319 [0,2,0,0,0,1|1,0,0]=4 1198 B12R1.3454 C=CC1(CCNCC1)C(=O)OC Z4283385899 [0,2,0,0,0,1|1,0,0]=4 1199 B12R1.3454 CCC1(CCCCN1)C(=O)OC Z1269221682 [0,2,0,0,0,1|1,0,0]=4 1200 B12R1.3454 CCC1(CCNCC1)C(=O)OC Z3247551452 [0,2,0,0,0,1|1,0,0]=4 1201 B12R1.3454 CNC1(CCOCC1)C(=O)OC Z4579752126 [0,2,0,0,0,1|0,0,0]=3 1202 B12R1.3454 COC(=O)C1(CCCCC1)C=O Z1255417732 [0,2,0,0,0,1|1,0,0]=4 1203 B12R1.3454 COC(=O)C1(CCCCC1)CN Z1650039456 [0,2,0,0,0,1|0,0,0]=3 1204 B12R1.3454 COC(=O)C1(CCOCC1)C#N Z825761102 [0,2,0,0,0,1|0,0,1]=4 1205 B12R1.3454 COC(=O)C1(CCOCC1)C=O Z1255421458 [0,2,0,0,0,1|1,0,0]=4 1206 B12R1.2627 C#CCC1(CCCCC1)C(=O)O Z1262515452 [0,2,0,0,0,1|1,0,0]=4 1207 B12R1.2627 C#CCC1(CCCCO1)C(=O)O Z2298130055 [0,2,0,0,0,1|1,0,0]=4 1208 B12R1.2627 C#CCC1(CCNCC1)C(=O)O Z3271142645 [0,2,0,0,0,1|1,0,0]=4 1209 B12R1.2627 C=CCC1(CCCCN1)C(=O)O Z3849040999 [0,2,0,0,0,1|1,0,0]=4 1210 B12R1.2627 C=CCC1(CCNCC1)C(=O)O Z3974708063 [0,2,0,0,0,1|1,0,0]=4 1211 B12R1.2627 CCCC1(CCCCN1)C(=O)O Z3824800344 [0,2,0,0,0,1|1,0,0]=4 1212 B12R1.2627 CCNC1(CCNCC1)C(=O)N Z1427991407 [0,2,0,0,0,1|1,0,0]=4 1213 B12R1.2627 CCOC1(CCNCC1)C(=O)O Z5185148159 [0,2,0,0,0,1|1,0,0]=4 1214 B12R1.2627 CCOC1(CCSCC1)C(=O)O Z803492604 [0,2,0,0,0,1|1,0,0]=4 1215 B12R1.2627 COCC1(CCOCC1)C(=O)O Z1251362961 [0,2,0,0,0,1|1,0,0]=4 1216 B12R1.3098 CN(C)C1(CCCCC1)C(=O)O Z448003056 [0,2,0,0,0,1|0,0,0]=3 1217 B12R1.3098 CN(C)C1(CCCNC1)C(=O)N Z3766472098 [0,2,0,0,0,1|1,0,0]=4 1218 B12R1.3098 CN(C)C1(CCCOC1)C(=O)O Z5001899943 [0,2,0,0,0,1|0,0,0]=3 1219 B12R1.3098 CN(C)C1(CCCSC1)C(=O)O Z1029465088 [0,2,0,0,0,1|0,0,0]=3 1220 B12R1.3098 CN(C)C1(CCNCC1)C(=O)N Z3386767047 [0,2,0,0,0,1|1,0,0]=4 1221 B12R1.3098 CN(C)C1(CCNCC1)C(=O)O Z3234811687 [0,2,0,0,0,1|0,0,0]=3 1222 B12R1.3098 CN(C)C1(CCOCC1)C(=O)O Z448002738 [0,2,0,0,0,1|0,0,0]=3 1223 B12R1.3098 O=C(O)C1(CCOCC1)C(F)F Z1322541676 [0,2,0,0,0,1|1,0,0]=4 1224 B12R1.684 CC1CCC(C1)(CN)CC(=O)O Z2242166449 [0,2,0,0,0,1|0,0,0]=3 1225 B12R1.1831 NC1(CCS(=O)(=O)C1)CC(=O)O Z2238510843 [0,2,0,0,0,1|1,0,0]=4 1226 B12R1.3171 CN(C)C1(CCCC1)CC(=O)O Z1762997290 [0,2,0,0,0,1|0,0,0]=3 1227 B12R1.3171 O=C(O)CC1(CCCC1)C(=O)O Z1198154424 [0,2,0,0,0,1|1,0,0]=4 1228 B12R1.3889 CC1CCC(C1(C)C)(C)C(=O)O Z1255438991 [0,3,0,0,0,0|1,0,0]=4 1229 B12R1.3094 CS(=O)(=O)C1(CCCC1)C(=O)O Z955123450 [0,3,0,0,0,0|1,0,0]=4 1230 B12R1.3094 NS(=O)(=O)C1(CCCC1)C(=O)O Z3327076096 [0,3,0,0,0,0|0,0,0]=3 1231 B12R1.3094 O=C(O)C1(CCCC1)C(F)(F)F Z414834406 [0,3,0,0,0,0|1,0,0]=4 1232 B12R1.3395 CCOC(=O)C1(CCCC1)C#N Z292948090 [0,3,0,0,0,0|0,0,1]=4 1233 B12R1.3395 CCOC(=O)C1(CCCC1)C=O Z1255396330 [0,3,0,0,0,0|1,0,0]=4 1234 B12R1.1737 COC(=O)C1(CCS(=O)(=O)C1)N Z3727505851 [0,3,0,0,0,0|1,0,0]=4 1235 B12R1.2264 COCCC1(CCCC1)C(=O)O Z995181188 [0,3,0,0,0,0|1,0,0]=4 1236 B8R1.2 C=CC1CCCCN1 Z2142036752 [1,0,1,1,0,0|1,0,0]=4 1237 B8R1.2 O=CC1CCCCC1 Z104478974 [1,0,1,1,0,0|1,0,0]=4 1238 B8R1.2 O=CC1CCCCO1 Z1079442734 [1,0,1,1,0,0|1,0,0]=4 1239 B8R1.2 OCC1CCCCN1 Z104476610 [1,0,1,1,0,0|0,0,1]=4 1240 B8R1.2 OC[C@H]1CCCCN1 Z1203731003 [1,0,1,1,0,0|0,0,1]=4 1241 B8R1.5 CC1CCCCC1=O Z104477192 [1,0,1,1,0,0|1,0,0]=4 1242 B8R1.5 NC1CCCCC1=O Z2186882796 [1,0,1,1,0,0|0,0,0]=3 1243 B8R1.5 NC1CCCNC1=O Z993991168 [1,0,1,1,0,0|1,0,0]=4 1244 B8R1.5 NN1CCCCC1=O Z976663668 [1,0,1,1,0,0|1,0,0]=4 1245 B8R1.5 N[C@@H]1CCCC[C@@H]1O Z2235399143 [1,0,1,1,0,0|0,0,1]=4 1246 B8R1.5 O=C1CCCCC1Cl Z94598693 [1,0,1,1,0,0|1,0,0]=4 1247 B8R1.40 NC(CO)CC1CC1 Z1198179456 [1,0,1,1,0,0|0,0,1]=4 1248 B8R1.46 CCN1CC(C1=O)N Z1633398454 [1,0,1,1,0,0|1,0,0]=4 1249 B8R1.47 CCC1CC(C1)C=O Z3243131887 [1,0,1,1,0,0|1,0,0]=4 1250 B8R1.4 CC1CCCC(=O)C1 Z56899044 [1,0,1,1,0,0|1,0,0]=4 1251 B8R1.4 CC1CCCC(=O)N1 Z1198150789 [1,0,1,1,0,0|1,0,0]=4 1252 B8R1.6 CCCC1CC(=O)N1 Z1198168176 [1,0,1,1,0,0|1,0,0]=4 1253 B8R1.34 CC(=O)CC1CCC1 Z1263592386 [1,0,1,1,0,0|1,0,0]=4 1254 B8R1.34 O=C(O)CC1CCC1 Z1115947835 [1,0,1,1,0,0|0,0,0]=3 1255 B8R1.34 O=C(O)CN1CCC1 Z1255373566 [1,0,1,1,0,0|1,0,0]=4 1256 B8R1.35 CC(=O)CCC1CC1 Z1233207768 [1,0,1,1,0,0|1,0,0]=4 1257 B8R1.35 O=C(O)CNC1CC1 Z432066928 [1,0,1,1,0,0|1,0,0]=4 1258 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O Z2235790965 [1,0,1,1,0,0|0,0,0]=3 1259 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O Z3718352401 [1,0,1,1,0,0|1,0,0]=4 1260 B8R1.18 CC1CC(C(=O)N1)C Z1203733105 [1,0,1,1,0,0|1,0,0]=4 1261 B8R1.18 CC1CC(C(=O)O1)N Z118507726 [1,0,1,1,0,0|0,0,0]=3 1262 B8R1.54 CC(C(=O)O)C1CC1 Z792377292 [1,0,1,1,0,0|0,0,0]=3 1263 B8R1.54 NC(=O)C(N)C1CC1 Z3183923231 [1,0,1,1,0,0|1,0,0]=4 1264 B8R1.54 NC(C(=O)O)C1CC1 Z1273089257 [1,0,1,1,0,0|0,0,0]=3 1265 B8R1.54 O=C(O)C(O)C1CC1 Z802856440 [1,0,1,1,0,0|1,0,0]=4 1266 B8R1.28 CC(C)(C=O)C1CC1 Z2301244390 [1,0,1,1,0,0|1,0,0]=4 1267 B8R1.67 C[C@@H]1C([C@@H]1C)C(=O)O Z3243444186 [1,0,1,1,0,0|0,0,0]=3 1268 B8R2.55 C1CCC2(C1)CO2 Z1020680028 [2,0,0,1,0,0|0,0,1]=4 1269 B8R2.2 C[C@]12CCC[C@H]1O2 Z4597543898 [2,0,0,1,0,0|1,0,0]=4 1270 B8R2.2 N[C@@]12CCC[C@@H]1C2 Z2896162962 [2,0,0,1,0,0|0,0,1]=4 1271 B8R2.7 NC12CCC(C1)C2 Z2583439654 [2,0,0,1,0,0|0,0,1]=4 1272 B8R2.5 O=C1N[C@H]2[C@@H]1CC2 Z3977166567 [1,0,0,1,1,0|1,0,0]=4 1273 B8R2.31 O=CC12CC(C1)C2 Z1511777490 [1,0,0,1,1,0|1,0,0]=4 1274 B10R1.18 NC(=O)CC1CCCCN1 Z370714204 [0,0,1,1,0,1|1,0,0]=4 1275 B10R1.18 O=C(O)CC1CCCCC1 Z104486044 [0,0,1,1,0,1|1,0,0]=4 1276 B10R1.18 O=C(O)CC1CCCCN1 Z3234954063 [0,0,1,1,0,1|0,0,0]=3 1277 B10R1.18 O=C(O)CC1CCCCO1 Z432421618 [0,0,1,1,0,1|1,0,0]=4 1278 B10R1.18 O=C(O)CC1COCCN1 Z1741981133 [0,0,1,1,0,1|1,0,0]=4 1279 B10R1.61 NC(=O)C1CCCCC1N Z1346385659 [0,0,1,1,0,1|1,0,0]=4 1280 B10R1.61 NC1CCCCC1C(=O)O Z1374884261 [0,0,1,1,0,1|0,0,0]=3 1281 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O Z2306832317 [0,0,1,1,0,1|0,0,0]=3 1282 B10R1.61 O=C(O)C1CCCCC1O Z1080722428 [0,0,1,1,0,1|1,0,0]=4 1283 B10R1.61 O=C(O)[C@@H]1CCCC[C@H]1O Z3326512742 [0,0,1,1,0,1|1,0,0]=4 1284 B10R1.168 CCC1CC(C1)CC(=O)O Z1205498075 [0,0,1,1,0,1|1,0,0]=4 1285 B10R1.275 CN1CCCCC(C1=O)N Z3487038024 [0,1,1,1,0,0|1,0,0]=4 1286 B10R1.278 CC(C1CC1)C(N)C(=O)O Z2010010266 [0,1,1,1,0,0|0,0,0]=3 1287 B10R1.13 CC1CCC(CN1)C(=O)N Z300072132 [0,1,1,1,0,0|1,0,0]=4 1288 B10R1.13 CC1CCC(CN1)C(=O)O Z3211705986 [0,1,1,1,0,0|0,0,0]=3 1289 B10R1.13 CC1CCC(NC1)C(=O)O Z3291973014 [0,1,1,1,0,0|0,0,0]=3 1290 B10R1.13 C[C@@H]1CC[C@@H](CN1)C(=O)N Z3302651128 [0,1,1,1,0,0|1,0,0]=4 1291 B10R1.13 C[C@@H]1CC[C@@H](CN1)C(=O)O Z3064248894 [0,1,1,1,0,0|0,0,0]=3 1292 B10R1.13 C[C@@H]1CC[C@H](NC1)C(=O)O Z3356150537 [0,1,1,1,0,0|0,0,0]=3 1293 B10R1.13 C[C@@H]1CN[C@@H](CO1)C(=O)O Z2311241423 [0,1,1,1,0,0|1,0,0]=4 1294 B10R1.13 C[C@@H]1CN[C@H](CO1)C(=O)O Z2311241416 [0,1,1,1,0,0|1,0,0]=4 1295 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O Z1205493659 [0,1,1,1,0,0|1,0,0]=4 1296 B10R1.13 O=C(O)C1CCC(CC1)O Z336079608 [0,1,1,1,0,0|1,0,0]=4 1297 B10R1.13 O=C(O)C1CCC(CN1)O Z1198181269 [0,1,1,1,0,0|0,0,0]=3 1298 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)F Z3600401699 [0,1,1,1,0,0|0,0,0]=3 1299 B10R1.205 CC(OCC1CC1)C(=O)O Z332379292 [0,1,1,1,0,0|1,0,0]=4 1300 B10R1.360 CC(C)[C@@H]1C[C@]1(N)C(=O)O Z4433641075 [0,1,1,1,0,0|0,0,0]=3 1301 B10R1.368 CC(C)C[C@@H]1C[C@H]1C(=O)O Z2235790964 [0,1,1,1,0,0|1,0,0]=4 1302 B10R1.15 CNC(=O)C1CCCCN1 Z234895123 [0,1,1,1,0,0|1,0,0]=4 1303 B10R1.15 COC(=O)C1CCCCS1 Z1413799531 [0,1,1,1,0,0|1,0,0]=4 1304 B10R1.15 COC(=O)C1CCSCN1 Z4924246834 [0,1,1,1,0,0|1,0,0]=4 1305 B10R1.15 COC(=O)C1COCCN1 Z1318356904 [0,1,1,1,0,0|1,0,0]=4 1306 B10R1.19 CNC1CCCCNC1=O Z234896383 [0,1,1,1,0,0|1,0,0]=4 1307 B10R1.348 O=C(O)C1CCCCCN1 Z1250132361 [0,1,1,1,0,0|0,0,0]=3 1308 B10R1.348 O=C(O)C1CCCCNC1 Z2310702448 [0,1,1,1,0,0|0,0,0]=3 1309 B10R1.348 O=C(O)C1CCCOCC1 Z1258684735 [0,1,1,1,0,0|1,0,0]=4 1310 B10R1.348 O=C(O)C1CNCCCN1 Z2044769174 [0,1,1,1,0,0|0,0,0]=3 1311 B10R1.469 NCC(CC1CC1)C(=O)O Z2453099346 [0,1,1,1,0,0|0,0,0]=3 1312 B10R1.113 CC1CC(CCO1)C(=O)O Z1192344104 [0,1,1,1,0,0|1,0,0]=4 1313 B10R1.113 CC1CC(CCS1)C(=O)O Z3242951587 [0,1,1,1,0,0|1,0,0]=4 1314 B10R1.113 CC1CCCC(C1)C(=O)O Z792377174 [0,1,1,1,0,0|1,0,0]=4 1315 B10R1.113 CC1CCCC(O1)C(=O)O Z1205497461 [0,1,1,1,0,0|1,0,0]=4 1316 B10R1.113 CC1CCNC(C1)C(=O)O Z1278581703 [0,1,1,1,0,0|0,0,0]=3 1317 B10R1.113 CC1COCC(N1)C(=O)O Z1723418910 [0,1,1,1,0,0|0,0,0]=3 1318 B10R1.113 CN1CCCC(C1)C(=O)O Z752370754 [0,1,1,1,0,0|1,0,0]=4 1319 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O Z2471603588 [0,1,1,1,0,0|0,0,0]=3 1320 B10R1.113 C[C@@H]1CNC[C@@H](C1)C(=O)O Z3021480604 [0,1,1,1,0,0|1,0,0]=4 1321 B10R1.113 C[C@@H]1C[C@@H](CCN1)C(=O)O Z2688982174 [0,1,1,1,0,0|1,0,0]=4 1322 B10R1.113 C[C@H]1COC[C@H](N1)C(=O)N Z2379579403 [0,1,1,1,0,0|1,0,0]=4 1323 B10R1.113 NC1CCCC(C1)C(=O)O Z979485684 [0,1,1,1,0,0|1,0,0]=4 1324 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O Z2309783249 [0,1,1,1,0,0|1,0,0]=4 1325 B10R1.113 O=C(O)C1CCCC(C1)F Z2066862889 [0,1,1,1,0,0|1,0,0]=4 1326 B10R1.113 O=C(O)C1CCCC(C1)O Z1205494896 [0,1,1,1,0,0|1,0,0]=4 1327 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O Z1198182319 [0,1,1,1,0,0|0,0,1]=4 1328 B10R1.204 NC(CC1CCC1)C(=O)O Z2306604307 [0,1,1,1,0,0|0,0,0]=3 1329 B10R1.93 CCOC1CC(C1)C(=O)O Z1813144098 [0,1,1,1,0,0|1,0,0]=4 1330 B10R1.354 CC(C)(C(=O)O)C1CCC1 Z1717761806 [0,1,1,1,0,0|1,0,0]=4 1331 B10R1.354 CC(N)(C(=O)O)C1CCC1 Z2235409220 [0,1,1,1,0,0|0,0,0]=3 1332 B10R1.442 CC(C)CC1(CC1)C(=O)O Z1270131184 [0,1,1,1,0,0|1,0,0]=4 1333 B10R1.355 CC1(CC1)C(C)(N)C(=O)O Z1801304551 [0,1,1,1,0,0|0,0,0]=3 1334 B10R1.391 CCCC1(CC1)C(=O)OC Z1422315861 [0,1,1,1,0,0|1,0,0]=4 1335 B10R1.423 COC(=O)[C@]1(C([C@H]1C)C)N Z3302638731 [0,1,1,1,0,0|0,0,0]=3 1336 B10R2.61 O=C1NC2CCNC1C2 Z1509030871 [0,0,1,2,0,0|1,0,0]=4 1337 B10R2.61 O=C1OC2CCNC1C2 Z5219768392 [0,0,1,2,0,0|0,0,0]=3 1338 B10R2.178 O=C1NCC2CCC1N2 Z1203749107 [0,0,1,2,0,0|1,0,0]=4 1339 B10R2.351 O=C(O)C1C2C1CCC2 Z235263813 [0,0,1,2,0,0|1,0,0]=4 1340 B10R2.355 O=C(O)[C@@H]1NC[C@H]2[C@@H]1C2 Z3182359549 [0,0,1,2,0,0|0,0,0]=3 1341 B10R2.357 O=C(O)[C@@H]1C[C@H]2C[C@H]2N1 Z440824358 [0,0,1,2,0,0|0,0,0]=3 1342 B10R2.638 O=C(O)C1CC12CCC2 Z1201622715 [0,0,1,2,0,0|1,0,0]=4 1343 B10R2.2 O=C1CC2CCOC2O1 Z234901875 [1,0,0,1,0,1|1,0,0]=4 1344 B10R2.2 O=C1N[C@@H]2CNC[C@@H]2O1 Z3858041825 [1,0,0,1,0,1|1,0,0]=4 1345 B10R2.2 O=C1N[C@@H]2COC[C@@H]2O1 Z3354065858 [1,0,0,1,0,1|1,0,0]=4 1346 B10R2.2 O=C1OC2COCC2O1 Z2787476626 [1,0,0,1,0,1|1,0,0]=4 1347 B10R2.2 O=C1O[C@H]2CNC[C@H]2O1 Z3052052262 [1,0,0,1,0,1|1,0,0]=4 1348 B10R2.316 O=C1CC2(N1)CCCC2 Z1238837513 [1,0,0,1,0,1|1,0,0]=4 1349 B10R2.120 O=CC12CCCCC1C2 Z1511761211 [1,0,0,1,0,1|1,0,0]=4 1350 B10R2.236 NC12CCCC(C1)OC2 Z3325543661 [1,0,0,1,0,1|0,0,1]=4 1351 B10R2.442 O=CC12CCC(C1)CC2 Z1511750768 [1,0,0,1,0,1|1,0,0]=4 1352 B10R2.32 O=C1NCC2C1CCC2 Z1198170665 [1,1,0,1,0,0|1,0,0]=4 1353 B10R2.32 O=C1NC[C@H]2[C@@H]1CCC2 Z3715300326 [1,1,0,1,0,0|1,0,0]=4 1354 B10R2.32 O=C1OC[C@H]2[C@@H]1CCC2 Z2786565576 [1,1,0,1,0,0|0,0,0]=3 1355 B10R2.32 O=C1OC[C@H]2[C@@H]1NCC2 Z4078237372 [1,1,0,1,0,0|1,0,0]=4 1356 B10R2.571 CC12CCC(C1)(CO2)N Z3356111664 [1,1,0,1,0,0|0,0,1]=4 1357 B10R2.636 CC12CC(C1)(C2)C(=O)O Z1205494627 [0,1,0,1,1,0|1,0,0]=4 1358 B10R2.636 O=C(O)C12CC(C1)(C2)F Z1205494685 [0,1,0,1,1,0|1,0,0]=4 1359 B12R2.1407 NC1(CCCC2C1C2)C(=O)O Z3336247084 [0,0,0,1,0,2|0,0,0]=3 1360 B12R2.3099 O=C(O)C12CCC(C1)CNC2 Z3279280310 [0,0,0,1,0,2|1,0,0]=4 1361 B12R2.3099 O=C(O)C12CCCN(C1)CC2 Z2465619956 [0,0,0,1,0,2|1,0,0]=4 1362 B12R2.3099 O=C(O)[C@]12CCC[C@H](C1)CN2 Z255150160 [0,0,0,1,0,2|1,0,0]=4 1363 B12R2.19 N[C@@]12CCCC[C@@H]1NC(=O)C2 Z2940252447 [0,0,0,1,0,2|1,0,0]=4 1364 B12R2.250 O=C(O)C1CC12CCCCC2 Z979743322 [0,0,0,1,0,2|1,0,0]=4 1365 B12R2.250 O=C(O)C1CC12CCCNC2 Z2381575916 [0,0,0,1,0,2|1,0,0]=4 1366 B12R2.250 O=C(O)C1CC12CCNCC2 Z2309759302 [0,0,0,1,0,2|1,0,0]=4 1367 B12R2.250 O=C(O)C1CC12CCOCC2 Z979743428 [0,0,0,1,0,2|1,0,0]=4 1368 B12R2.250 O=C(O)C1CC12CCSCC2 Z979743452 [0,0,0,1,0,2|1,0,0]=4 1369 B12R2.2918 O=C1CC2(CCCCC2)NN1 Z2065532764 [0,0,0,1,0,2|1,0,0]=4 1370 B12R2.2918 O=C1CC2(CCOCC2)CO1 Z1654815811 [0,0,0,1,0,2|1,0,0]=4 1371 B12R2.2918 O=C1NC2(CCNCC2)CO1 Z1891776567 [0,0,0,1,0,2|1,0,0]=4 1372 B12R2.2918 O=C1NC2(CCOCC2)CO1 Z1266873540 [0,0,0,1,0,2|1,0,0]=4 1373 B12R2.3188 O=C(O)C1CC2(C1)CCCC2 Z1258536559 [0,0,0,1,0,2|1,0,0]=4 1374 B12R2.1177 NC1COC2(CC1C2)C(=O)O Z4990541734 [0,1,0,1,0,1|1,0,0]=4 1375 B12R2.6448 CC12CCC(C1)(NC2)C(=O)O Z4444742373 [0,1,0,1,0,1|1,0,0]=4 1376 B12R2.6448 O=C(O)C12CCC(C1)(CC2)F Z1262516864 [0,1,0,1,0,1|1,0,0]=4 1377 B12R2.6448 O=C(O)C12CCC(C1)(CC2)O Z1262541428 [0,1,0,1,0,1|1,0,0]=4 1378 B12R2.6473 O=C(O)C12CCC(CC1)CC2 Z1262510557 [0,1,0,1,0,1|1,0,0]=4 1379 B12R2.6473 O=C(O)C12CCC(CC1)CN2 Z360059670 [0,1,0,1,0,1|0,0,0]=3 1380 B12R2.6473 O=C(O)C12CCN(CC1)CC2 Z1582263908 [0,1,0,1,0,1|1,0,0]=4 1381 B12R2.1358 O=C(O)[C@]12CC[C@H]1CCCN2 Z4198575171 [0,1,0,1,0,1|1,0,0]=4 1382 B12R2.1360 CC1(CC2CCC1C2)C(=O)O Z995180172 [0,1,0,1,0,1|1,0,0]=4 1383 B12R2.1360 CC1(CC2CCC1O2)C(=O)O Z1259288270 [0,1,0,1,0,1|1,0,0]=4 1384 B12R2.1360 N[C@@]1(C[C@H]2CC[C@@H]1C2)C(=O)O Z3013895644 [0,1,0,1,0,1|0,0,0]=3 1385 B12R2.1360 O=C(O)C1(CC2CCC1C2)O Z1262516246 [0,1,0,1,0,1|1,0,0]=4 1386 B12R2.2427 NC1CC2CCC1(C2)C(=O)O Z3398485616 [0,1,0,1,0,1|1,0,0]=4 1387 B12R2.2427 O=C(O)C12CCC(C1)CC2=O Z1255491307 [0,1,0,1,0,1|1,0,0]=4 1388 B12R2.584 O=C1CC[C@@H]2[C@H]1[C@@]2(Cl)C(=O)O Z4458376722 [0,1,0,1,0,1|1,0,0]=4 1389 B12R2.2861 CC1CC2CC(C2)(O1)C(=O)O Z4935371916 [0,1,0,1,0,1|1,0,0]=4 1390 B12R2.3098 CC12CC(C1)(CCO2)C(=O)O Z3326789288 [0,1,0,1,0,1|1,0,0]=4 1391 B12R2.8 O=C1NCNC12CCNCC2 Z3247510094 [0,1,0,1,0,1|1,0,0]=4 1392 B12R2.8 O=C1OCCC12CCNCC2 Z1198304217 [0,1,0,1,0,1|1,0,0]=4 1393 B12R2.8 O=C1OCCC12CCOCC2 Z1721689509 [0,1,0,1,0,1|1,0,0]=4 1394 B12R2.1541 COC(=O)C12COCCC1O2 Z5876178447 [0,1,0,1,0,1|1,0,0]=4 1395 B12R2.1606 COC(=O)C1(CCC2C1C2)N Z3325071618 [0,1,0,1,0,1|0,0,0]=3 1396 B12R2.3487 COC(=O)C12CCC(C1)CN2 Z1509066537 [0,1,0,1,0,1|1,0,0]=4 1397 B12R2.3487 O=C(NO)C12CCC(C1)CC2 Z56757143 [0,1,0,1,0,1|1,0,0]=4 1398 B12R2.3989 NCC12CCC(CC1)NC2=O Z4020200940 [0,1,0,1,0,1|1,0,0]=4 1399 B12R2.5121 O=C1CNCC2(N1)CCCC2 Z1255430468 [0,1,0,1,0,1|1,0,0]=4 1400 B12R2.5121 O=C1COCC2(N1)CCCC2 Z3300730597 [0,1,0,1,0,1|1,0,0]=4 1401 B12R2.254 O=C(O)C1NCC12CCCC2 Z2525835361 [0,1,0,1,0,1|0,0,0]=3 1402 B12R2.783 NC1=NC(=O)NC12CCCC2 Z1347846798 [0,1,0,1,0,1|1,0,0]=4 1403 B12R2.783 O=C1CC2(CCCC2)C(=O)O1 Z104506022 [0,1,0,1,0,1|1,0,0]=4 1404 B12R2.3066 O=C(O)C12CNCC1CNC2 Z1695785817 [0,2,0,1,0,0|1,0,0]=4 1405 B12R2.3066 O=C(O)[C@]12CCC[C@H]1NCC2 Z2756787686 [0,2,0,1,0,0|0,0,0]=3 1406 B12R2.3066 O=C(O)[C@]12CCO[C@H]1CNC2 Z4745617840 [0,2,0,1,0,0|1,0,0]=4 1407 B12R2.6499 NC1(CCCC12CC2)C(=O)O Z4562633150 [0,2,0,1,0,0|0,0,0]=3 1408 B12R2.1556 COC(=O)C1(CC2CC1C2)N Z5033542606 [0,2,0,1,0,0|0,0,0]=3 1409 B12R2.121 NC1(CCCC1)C2=NC=CO2 Z5371210321 [0,2,0,1,0,0|1,0,0]=4 1410 B12R2.121 NC1(CCCC1)C2=NOC=N2 Z2896171856 [0,2,0,1,0,0|1,0,0]=4 1411 B12R2.3460 COC(=O)[C@@]12CC[C@@H]([C@@H]1C2)N Z2939810739 [0,2,0,1,0,0|1,0,0]=4 1412 B12R2.3483 COC(=O)[C@@]12C[C@H](C[C@@H]1C2)N Z2738352527 [0,2,0,1,0,0|1,0,0]=4 1413 B12R2.3064 O=C(O)C12CCCC1C2(F)F Z3398963665 [0,2,0,1,0,0|1,0,0]=4 1414 B6R1.6 O=CC1CCC1 Z1079442452 [2,0,0,0,1,0|0,0,0]=3 1415 B6R1.10 CC1(CCC1)N Z1741969618 [2,0,0,0,1,0|0,0,1]=4 1416 B6R1.10 CC1(CCC1)O Z1241455013 [2,0,0,0,1,0|1,0,0]=4 1417 B6R1.7 CC1(CC1)C=O Z1263714317 [1,0,0,0,2,0|1,0,0]=4 1418 B6R1.7 NC1(CC1)CO Z1741975623 [1,0,0,0,2,0|0,0,1]=4 1419 B8R0.16 CCC(=CC(=O)O)CC Z352746706 [1,0,1,0,0,1|0,0,1]=4 1420 B8R0.16 CCC(CC)CC(=O)O Z352782266 [1,0,1,0,0,1|0,0,0]=3 1421 B8R0.16 CCC(CN)CC(=O)O Z1436181093 [1,0,1,0,0,1|1,0,0]=4 1422 B8R0.16 CCN(CC)CC(=O)O Z1250132725 [1,0,1,0,0,1|1,0,0]=4 1423 B10R0.78 CCCCC(O)CCC(=O)O Z838959646 [0,0,1,0,0,2|1,0,0]=4 1424 B10R0.121 CCC(N)(CC)CCC(=O)O Z5297198805 [0,0,1,0,0,2|0,0,0]=3 1425 B10R1.66 NC(=O)CNC1CCCC1 Z90608472 [1,0,0,0,0,2|1,0,0]=4 1426 B10R1.66 NC(=O)NCC1CCCC1 Z415672550 [1,0,0,0,0,2|1,0,0]=4 1427 B10R1.66 O=C(O)C#CC1CCOC1 Z1235950936 [1,0,0,0,0,2|1,0,0]=4 1428 B10R1.66 O=C(O)CCC1CCCC1 Z104478044 [1,0,0,0,0,2|0,0,0]=3 1429 B10R1.66 O=C(O)CCC1CCCN1 Z2467454523 [1,0,0,0,0,2|1,0,0]=4 1430 B10R1.66 O=C(O)CCC1CCCO1 Z362564576 [1,0,0,0,0,2|1,0,0]=4 1431 B10R1.66 O=C(O)CCC1CCNC1 Z1198312388 [1,0,0,0,0,2|1,0,0]=4 1432 B10R1.66 O=C(O)CCC1CCOC1 Z975825286 [1,0,0,0,0,2|1,0,0]=4 1433 B10R1.66 O=C(O)CNC1CCCC1 Z359505658 [1,0,0,0,0,2|0,0,0]=3 1434 B10R1.66 O=C(O)COC1CCCC1 Z316258762 [1,0,0,0,0,2|0,0,0]=3 1435 B10R1.66 O=C(O)COC1CCNC1 Z4875638894 [1,0,0,0,0,2|1,0,0]=4 1436 B10R1.66 O=C(O)COC1CCOC1 Z1138838239 [1,0,0,0,0,2|1,0,0]=4 1437 B10R1.66 O=C(O)CSC1CCCC1 Z147646804 [1,0,0,0,0,2|0,0,0]=3 1438 B10R1.232 CC1(CCCCCC1)C=O Z1511825776 [1,0,0,0,0,2|1,0,0]=4 1439 B10R1.232 NC1(CCCCCC1)CO Z3325063121 [1,0,0,0,0,2|0,0,1]=4 1440 B12R1.1385 CC1(CCCCCCC1)C(=O)O Z1262523337 [0,0,0,0,0,3|1,0,0]=4 1441 B12R1.1829 CC1(CCCCCC1)CC(=O)O Z1262536511 [0,0,0,0,0,3|1,0,0]=4 1442 B12R1.1829 O=C(O)CC1(CCCCCC1)O Z982131862 [0,0,0,0,0,3|1,0,0]=4 1443 B12R1.3110 CC1(CCOCC1)/C=C/C(=O)O Z1262561088 [0,0,0,0,0,3|1,0,0]=4 1444 B12R1.3110 NC1(CCCCC1)CCC(=O)O Z2900673592 [0,0,0,0,0,3|0,0,0]=3 1445 B12R1.3110 NC1(CCOCC1)CCC(=O)O Z2935002206 [0,0,0,0,0,3|0,0,0]=3