0 B9R1.21 NC[C@H]1CC[C@H](C1)CN Z1203591890 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.21 OC[C@@H]1CC[C@H](N1)CO Z2309988693 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.1 CC1CCC(O1)C#N Z1438313776 [1,0,0,0,0,0|2,0,1]=4 3 B8R1.1 CC1CCC(O1)CN Z1438307598 [1,0,0,0,0,0|2,0,0]=3 4 B8R1.1 CCC1CC(CN1)C Z1203749385 [1,0,0,0,0,0|3,0,0]=4 5 B8R1.1 CCC1CCC(N1)C Z1582263727 [1,0,0,0,0,0|3,0,0]=4 6 B8R1.1 CN1CCC(C1)CO Z976730728 [1,0,0,0,0,0|3,0,0]=4 7 B8R1.1 NCC1COC(=O)O1 Z3474887077 [1,0,0,0,0,0|2,0,1]=4 8 B8R1.1 NC[C@H]1COC(=O)O1 Z3951135907 [1,0,0,0,0,0|2,0,1]=4 9 B8R1.1 O=C1N[C@H](CO1)CO Z1203731623 [1,0,0,0,0,0|2,0,1]=4 10 B10R1.31 CCC1CCC(O1)C(=O)O Z1389029400 [0,1,0,0,0,0|2,0,1]=4 11 B10R1.31 NC[C@@H]1CC[C@@H](O1)C(=O)O Z2568677836 [0,1,0,0,0,0|2,0,1]=4 12 B10R1.35 COC1C[C@@H]([C@H](O1)CO)O Z1255379226 [0,1,0,0,0,0|3,0,0]=4 13 B8R0.6 CC(CO)CSCCO Z1270309408 [0,0,1,0,0,0|2,1,0]=4 14 B8R0.11 CCC(CC)CCCO Z1198265454 [0,0,1,0,0,0|3,0,0]=4 15 B8R0.11 CCC(CC)NCCO Z335251710 [0,0,1,0,0,0|3,0,0]=4 16 B8R0.19 CC(CO)CC(C)CO Z1509057634 [0,0,1,0,0,0|3,0,0]=4 17 B8R0.19 CC(CO)OC(C)CO Z1198222881 [0,0,1,0,0,0|2,0,0]=3 18 B8R0.19 CCC(N)CC(C)CO Z1270456881 [0,0,1,0,0,0|3,0,0]=4 19 B10R2.25 O[C@H]1[C@@H]2CN[C@@H](C2)[C@H]1O Z3247759184 [0,0,0,1,0,0|3,0,0]=4 20 B10R2.93 OC[C@@H]1C[C@H]2CN[C@H]2C1 Z3070475859 [0,0,0,1,0,0|3,0,0]=4 21 B10R2.99 OCC1CC2CCC1C2 Z147642452 [0,0,0,1,0,0|3,0,0]=4 22 B10R2.99 OCC1CC2CCC1N2 Z2160914830 [0,0,0,1,0,0|3,0,0]=4 23 B10R2.99 OCC1NC2CCC1C2 Z3073888121 [0,0,0,1,0,0|3,0,0]=4 24 B10R2.99 OC[C@H]1N[C@@H]2CC[C@H]1C2 Z291279236 [0,0,0,1,0,0|3,0,0]=4 25 B10R2.178 NC1CCC2CCC1O2 Z3478580742 [0,0,0,1,0,0|3,0,0]=4 26 B10R2.178 N[C@@H]1CC[C@H]2C[C@@H]1CO2 Z4656798105 [0,0,0,1,0,0|3,0,0]=4 27 B10R2.178 O=C1CC[C@H]2CO[C@@H]1O2 Z1513597501 [0,0,0,1,0,0|2,0,1]=4 28 B10R2.442 NCC12CCC(C1)CO2 Z4355546441 [0,0,0,1,0,0|3,0,0]=4 29 B10R2.442 NCC12CCC(C1)OC2 Z4602922286 [0,0,0,1,0,0|3,0,0]=4 30 B10R2.442 OCC12CCC(C1)CC2 Z1618100580 [0,0,0,1,0,0|3,0,0]=4 31 B10R2.442 OCC12CCC(C1)CN2 Z4365727445 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.47 CCC1CC(C1)CN Z4165836124 [0,0,0,0,1,0|3,0,0]=4 33 B10R1.3 NC[C@@H]1CO[C@H](CO1)CO Z4944983272 [0,0,0,0,0,1|1,0,0]=2 34 B10R1.3 NC[C@H]1CO[C@@H](CO1)CN Z4919249131 [0,0,0,0,0,1|2,0,0]=3 35 B10R1.3 OCC1CCC(CC1)CO Z104476328 [0,0,0,0,0,1|3,0,0]=4 36 B10R1.172 CC[C@@H]1CCN[C@@H](C1)CO Z3273108754 [0,0,0,0,0,1|3,0,0]=4 37 B10R1.172 OCC1CNCC(C1)CO Z3247610107 [0,0,0,0,0,1|3,0,0]=4 38 B10R1.172 OC[C@@H]1C[C@@H](CCN1)CO Z4089009853 [0,0,0,0,0,1|3,0,0]=4 39 B7R0.1 CCCCCCCO Z104473596 [1,0,1,0,0,0|2,0,0]=4 40 B7R0.1 CCCCOCCN Z409191398 [1,0,1,0,0,0|2,0,0]=4 41 B7R0.1 CCCOCCCO Z1080358966 [1,0,1,0,0,0|1,0,0]=3 42 B7R0.1 NCCOCCCO Z2044949087 [1,0,1,0,0,0|1,0,0]=3 43 B7R0.1 NCCSCCCO Z406685362 [1,0,1,0,0,0|1,1,0]=4 44 B7R0.1 OCCCCCCBr Z1255398867 [1,0,1,0,0,0|1,1,0]=4 45 B7R0.1 OCCCCCCO Z104473540 [1,0,1,0,0,0|2,0,0]=4 46 B7R0.1 OCCCNCCO Z104654390 [1,0,1,0,0,0|2,0,0]=4 47 B7R0.1 OCCCOCCO Z1373668758 [1,0,1,0,0,0|1,0,0]=3 48 B7R0.1 OCCCSCCO Z149155194 [1,0,1,0,0,0|1,1,0]=4 49 B7R0.3 CC(CN)CCCO Z2234185702 [1,0,1,0,0,0|2,0,0]=4 50 B7R0.3 CCC(C)NCCO Z335251014 [1,0,1,0,0,0|2,0,0]=4 51 B7R0.3 CCC(O)CCCN Z1259162031 [1,0,1,0,0,0|2,0,0]=4 52 B7R0.3 CCNCC(O)CC Z600449680 [1,0,1,0,0,0|2,0,0]=4 53 B7R0.3 CCOCC(O)CN Z271097110 [1,0,1,0,0,0|1,0,0]=3 54 B7R0.3 CCOCC(O)CO Z1178483452 [1,0,1,0,0,0|0,0,0]=2 55 B7R0.4 CC(C)COCCN Z594038266 [1,0,1,0,0,0|2,0,0]=4 56 B7R0.4 CC(C)NCCCO Z56799938 [1,0,1,0,0,0|2,0,0]=4 57 B7R0.4 CC(C)OCCCN Z2677507870 [1,0,1,0,0,0|2,0,0]=4 58 B7R0.4 CC(C)OCCCO Z1080358780 [1,0,1,0,0,0|1,0,0]=3 59 B7R0.4 CC(N)CCCCO Z2234185667 [1,0,1,0,0,0|2,0,0]=4 60 B7R0.12 CCC(CC)CCO Z1198174469 [1,0,1,0,0,0|2,0,0]=4 61 B7R0.12 CCCC(CO)OC Z2050356185 [1,0,1,0,0,0|2,0,0]=4 62 B7R0.2 CC(C)CC(C)CO Z1198147790 [1,0,1,0,0,0|2,0,0]=4 63 B7R0.2 CC(C)CC(O)CN Z1259162114 [1,0,1,0,0,0|2,0,0]=4 64 B7R0.2 CC(O)CC(C)CN Z1245536559 [1,0,1,0,0,0|2,0,0]=4 65 B7R1.1 BrCC1CCCO1 Z90660999 [2,0,0,0,0,0|1,1,0]=4 66 B7R1.1 ClCC1CCCO1 Z56893271 [2,0,0,0,0,0|1,1,0]=4 67 B7R1.1 NCC1COCO1 Z2298138033 [2,0,0,0,0,0|1,0,0]=3 68 B7R1.1 OCC1CCCC1 Z397587414 [2,0,0,0,0,0|2,0,0]=4 69 B7R1.1 OCC1CCCN1 Z825308062 [2,0,0,0,0,0|2,0,0]=4 70 B7R1.1 OCC1CCCS1 Z1201679857 [2,0,0,0,0,0|1,1,0]=4 71 B7R1.1 OCC1CCNC1 Z976722188 [2,0,0,0,0,0|2,0,0]=4 72 B7R1.1 OCC1CCOC1 Z335245192 [2,0,0,0,0,0|1,0,0]=3 73 B7R1.1 OCC1CCSC1 Z1201679855 [2,0,0,0,0,0|1,1,0]=4 74 B7R1.1 OC[C@@H]1CCCN1 Z1123715411 [2,0,0,0,0,0|2,0,0]=4 75 B7R1.2 CC1CC(CN1)O Z1201051000 [2,0,0,0,0,0|2,0,0]=4 76 B7R1.2 CC1CC(CO1)N Z2418414350 [2,0,0,0,0,0|2,0,0]=4 77 B7R1.2 CC1CCC(C1)O Z1233224917 [2,0,0,0,0,0|2,0,0]=4 78 B7R1.2 CC1CCC(N1)C Z1413780490 [2,0,0,0,0,0|2,0,0]=4 79 B7R1.2 CC1CNC(C1)C Z1250222491 [2,0,0,0,0,0|2,0,0]=4 80 B7R1.2 C[C@H]1CC[C@H](N1)C Z3244812696 [2,0,0,0,0,0|2,0,0]=4 81 B9R0.1 CC(C)COCC(O)CN Z285181512 [0,1,1,0,0,0|2,0,0]=4 82 B9R0.5 CCCCCC(O)CCO Z1198158015 [0,1,1,0,0,0|2,0,0]=4 83 B9R1.35 CC1CC(CO1)C(=O)O Z1509040560 [1,1,0,0,0,0|1,0,1]=4 84 B9R1.35 CC1COC(O1)C(C)C Z1198154966 [1,1,0,0,0,0|1,0,0]=3 85 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O Z2238277752 [1,1,0,0,0,0|1,0,1]=4 86 B9R1.125 CC1CCC(C1)(N)CO Z4381130473 [1,1,0,0,0,0|2,0,0]=4 87 B9R1.133 CC1(CC(CN1)CO)C Z1813147815 [1,1,0,0,0,0|2,0,0]=4 88 B9R1.133 CC1(CCC(N1)CO)C Z4358475031 [1,1,0,0,0,0|2,0,0]=4 89 B9R1.133 CC1(COC(C1)CN)C Z2753778389 [1,1,0,0,0,0|2,0,0]=4 90 B9R1.133 CC1(OCC(O1)CO)C Z104479028 [1,1,0,0,0,0|0,0,0]=2 91 B9R1.133 CC1(OC[C@@H](O1)C=O)C Z446488674 [1,1,0,0,0,0|0,0,2]=4 92 B11R1.3 NC[C@@H]1CO[C@H](CO1)C(=O)O Z4954072342 [0,1,0,0,0,1|1,0,1]=4 93 B11R1.43 NCC1CC(CO1)CC(=O)O Z3481962152 [0,2,0,0,0,0|2,0,0]=4 94 B9R1.1 OCC1CCC(CC1)O Z1255451065 [0,0,1,1,0,0|2,0,0]=4 95 B9R1.2 CC1CNCC(O1)CO Z1509113623 [0,0,1,1,0,0|2,0,0]=4 96 B9R1.2 CC1COCC(O1)CN Z4877532429 [0,0,1,1,0,0|2,0,0]=4 97 B9R1.2 NC[C@@H]1C[C@@H](CCO1)O Z3200658572 [0,0,1,1,0,0|2,0,0]=4 98 B9R1.3 N[C@@H]1CCC[C@H]([C@H]1O)O Z4497061557 [0,0,1,1,0,0|2,0,0]=4 99 B9R1.3 O[C@H]1CNC[C@H]([C@H]1O)O Z1203732389 [0,0,1,1,0,0|2,0,0]=4 100 B9R1.118 OCC1(CCCNC1)O Z2284393168 [0,0,1,1,0,0|2,0,0]=4 101 B9R1.12 OCCCC1CCCO1 Z993012576 [0,0,1,1,0,0|2,0,0]=4 102 B9R1.12 OCCOC1CCCC1 Z362785380 [0,0,1,1,0,0|2,0,0]=4 103 B9R1.15 OCC1CCCCC1O Z1198163949 [0,0,1,1,0,0|2,0,0]=4 104 B9R1.204 OCC1(CCCO1)CO Z1726051641 [0,0,1,1,0,0|1,0,0]=3 105 B9R2.39 NC1CC2CCC1O2 Z1203586766 [1,0,0,1,0,0|2,0,0]=4 106 B9R2.39 N[C@@H]1C[C@H]2CC[C@@H]1O2 Z2442099637 [1,0,0,1,0,0|2,0,0]=4 107 B9R2.39 N[C@H]1CC2CCC1O2 Z1270498447 [1,0,0,1,0,0|2,0,0]=4 108 B9R2.39 OC1CC2CCC1C2 Z104479470 [1,0,0,1,0,0|2,0,0]=4 109 B9R2.39 OC1CC2CCC1O2 Z1255395449 [1,0,0,1,0,0|1,0,0]=3 110 B9R2.68 C1CC2CNCC1O2 Z1198181219 [1,0,0,1,0,0|2,0,0]=4 111 B9R2.68 C1CC2COCC1N2 Z1203732330 [1,0,0,1,0,0|2,0,0]=4 112 B9R2.68 C1NC2COCC1C2 Z4789051337 [1,0,0,1,0,0|2,0,0]=4 113 B9R2.68 C1NCC2CC1CO2 Z1688198390 [1,0,0,1,0,0|2,0,0]=4 114 B11R2.15 CCB1O[C@H]2COC[C@H]2O1 Z3953045832 [0,1,0,1,0,0|2,0,0]=4 115 B11R2.191 OC[C@@H]1CO[C@H]2[C@@H]1CNC2 Z3900255270 [0,1,0,1,0,0|2,0,0]=4 116 B7R0.10 CCC(C)C(O)CC Z1138194601 [0,0,1,0,1,0|2,0,0]=4 117 B7R0.10 CCC(C)C(O)CN Z802901690 [0,0,1,0,1,0|2,0,0]=4 118 B7R0.10 OC[C@H](O)[C@H](O)CO Z1203161930 [0,0,1,0,1,0|2,0,0]=4 119 B7R1.10 NC[C@H]1C[C@@H](C1)O Z2755724217 [1,0,0,0,1,0|2,0,0]=4 120 B7R1.10 N[C@H]1C[C@H](C1)CO Z1203585248 [1,0,0,0,1,0|2,0,0]=4 121 B7R1.9 CC[C@@H]1C[C@H]1CN Z2235810238 [0,0,0,0,2,0|2,0,0]=4 122 B7R1.9 ClC[C@H]1O[C@H]1CCl Z1205660922 [0,0,0,0,2,0|1,1,0]=4