0 B9R0.2 CC(=O)OCCOCCO AMY28818 [0,0,0,0,0,0|3,0,1]=4 1 B9R0.2 CCCCCCCC(=O)[O-] AMY19799 [0,0,0,0,0,0|1,0,2]=3 2 B9R0.2 CCCCCCOC(=O)Cl AMY4168 [0,0,0,0,0,0|2,0,1]=3 3 B9R0.2 CC\C=C\CCOC(C)=O AM806731 [0,0,0,0,0,0|1,0,3]=4 4 B9R0.2 NCCCCCCC(=O)O AM20120334 [0,0,0,0,0,0|2,0,2]=4 5 B9R0.2 O=C(O)CCCCCCBr AMY10966 [0,0,0,0,0,0|2,0,2]=4 6 B9R0.2 O=C(O)CCCCCCO AM20090595 [0,0,0,0,0,0|2,0,2]=4 7 B9R0.2 O=C(O)CNCCCCO AM806410 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.7 CC(=O)CCCCCBr AMY24068 [1,0,0,0,0,0|1,0,1]=3 9 B8R0.7 CC(=O)OCCCC=O AM10056 [1,0,0,0,0,0|2,0,1]=4 10 B8R0.7 CCCCCCC(=O)O AMY41347 [1,0,0,0,0,0|1,0,1]=3 11 B8R0.7 CCCCCC[C@H](C)N AMY21971 [1,0,0,0,0,0|1,0,2]=4 12 B8R0.7 NCCCCCC(=O)O AM82438 [1,0,0,0,0,0|2,0,1]=4 13 B8R0.7 NCCCCCC(=O)O AMY977 [1,0,0,0,0,0|2,0,1]=4 14 B8R0.7 O=C(Cl)CCCCCBr AMY14557 [1,0,0,0,0,0|2,0,1]=4 15 B8R0.7 O=C(O)CCCCCBr AM20100119 [1,0,0,0,0,0|2,0,1]=4 16 B8R0.7 O=C(O)CCCCCO AM10824 [1,0,0,0,0,0|2,0,1]=4 17 B10R0.3 CCC[C@H](S)CCOC(C)=O AMY24734 [0,1,0,0,0,0|1,0,1]=3 18 B10R0.4 CCCCCCCOC(=O)Cl AMY3945 [0,1,0,0,0,0|1,0,2]=4 19 B10R0.4 CCCCCCOCC(=O)O AMY3242 [0,1,0,0,0,0|1,0,2]=4 20 B10R0.4 O=C(O)CCCCCCCBr AMY31536 [0,1,0,0,0,0|1,0,2]=4 21 B10R0.4 O=C(O)CCCCCCCO AMY5109 [0,1,0,0,0,0|1,0,2]=4 22 B10R0.6 COCCOC(=O)CC(C)=O AMY25617 [0,1,0,0,0,0|2,0,1]=4 23 B10R0.74 COC(=O)CCCCCCN AM803390 [0,1,0,0,0,0|1,0,2]=4 24 B10R0.74 COC(=O)CCCCCCN AM82449 [0,1,0,0,0,0|1,0,2]=4 25 B10R0.74 COC(=O)CCCCCCO AM62806 [0,1,0,0,0,0|1,0,2]=4 26 B10R0.75 C=C(C)C(=O)OCCCCO AMY18807 [0,1,0,0,0,0|3,0,0]=4 27 B10R0.75 CCCCCC[C@H](C)C(=O)O AMY25632 [0,1,0,0,0,0|1,0,2]=4 28 B10R1.16 CCCCN1C=C[N+](C)=C1 AMY18677 [0,0,0,1,0,0|3,0,0]=4 29 B10R1.18 CC(=O)NC1CCNCC1 AM85832 [0,0,0,1,0,0|2,0,1]=4 30 B10R1.18 CC(=O)NC1CCNCC1 AMY202100103 [0,0,0,1,0,0|2,0,1]=4 31 B10R1.18 CC(=O)N[C@H]1CCCNC1 AM100726 [0,0,0,1,0,0|2,0,1]=4 32 B10R1.18 CC(=O)N[C@H]1CCCNC1 AM100988 [0,0,0,1,0,0|2,0,1]=4 33 B10R1.18 CC(=O)N[C@H]1CCCNC1 AM91540 [0,0,0,1,0,0|2,0,1]=4 34 B10R1.18 NC(=O)NC1CCCCC1 AMY202100117 [0,0,0,1,0,0|2,0,1]=4 35 B10R1.18 O=C(O)CC1CCCCC1 AMY31936 [0,0,0,1,0,0|1,0,2]=4 36 B10R1.18 O=C(O)CN1CCCCC1 AMY20084 [0,0,0,1,0,0|2,0,1]=4 37 B10R1.39 CC(=O)N1CCC[C@@H]1CBr AM90828 [0,0,0,1,0,0|2,0,1]=4 38 B10R1.39 CC(=O)N1CCC[C@@H]1CBr AM92646 [0,0,0,1,0,0|2,0,1]=4 39 B10R1.39 CC(=O)N1CCC[C@@H]1CCl AM100932 [0,0,0,1,0,0|2,0,1]=4 40 B10R1.39 CC(=O)N1CCC[C@@H]1CCl AM101106 [0,0,0,1,0,0|2,0,1]=4 41 B10R1.39 CC(=O)N1CCC[C@@H]1CI AM93833 [0,0,0,1,0,0|2,0,1]=4 42 B10R1.39 CC(=O)N1CCC[C@@H]1CI AM96710 [0,0,0,1,0,0|2,0,1]=4 43 B10R1.39 CC(=O)N1CCC[C@@H]1CN AM101039 [0,0,0,1,0,0|2,0,1]=4 44 B10R1.39 CC(=O)N1CCC[C@@H]1CN AM91146 [0,0,0,1,0,0|2,0,1]=4 45 B10R1.39 CC(=O)N1CCC[C@@H]1CO AM100615 [0,0,0,1,0,0|2,0,1]=4 46 B10R1.39 CC(=O)N1CCC[C@@H]1CO AM101105 [0,0,0,1,0,0|2,0,1]=4 47 B10R1.61 CC(=O)N1CCNC[C@@H]1C AM90651 [0,0,0,1,0,0|2,0,1]=4 48 B10R1.66 CC(=O)NC[C@H]1CCCN1 AM100691 [0,0,0,1,0,0|2,0,1]=4 49 B10R1.66 CC(=O)NC[C@H]1CCCN1 AM91329 [0,0,0,1,0,0|2,0,1]=4 50 B10R1.66 CC(=O)NC[C@H]1CCNC1 AM100410 [0,0,0,1,0,0|2,0,1]=4 51 B10R1.66 O=C(O)CCC1CCCC1 AM84371 [0,0,0,1,0,0|1,0,2]=4 52 B10R1.66 O=C(O)COC1CCCC1 AMY4677 [0,0,0,1,0,0|2,0,1]=4 53 B10R1.78 O=C1CCCCCCCC1 AM20090511 [0,0,0,1,0,0|0,0,2]=3 54 B10R1.348 O=C(Cl)C1CCCCCC1 AMY21682 [0,0,0,1,0,0|1,0,2]=4 55 B10R1.348 O=C(O)C1CCCCCC1 AM20080348 [0,0,0,1,0,0|1,0,2]=4 56 B10R1.348 O=C(O)[C@@H]1CCCCCN1 AM20100286 [0,0,0,1,0,0|2,0,1]=4 57 B7R0.1 C=CCCCCCCl AM85971 [2,0,0,0,0,0|1,0,1]=4 58 B7R0.1 C=CCCCCCO AMY7500 [2,0,0,0,0,0|1,0,1]=4 59 B7R0.1 C=CCCCCNC AMY41147 [2,0,0,0,0,0|1,0,1]=4 60 B7R0.1 CCCCCON=O AMY3989 [2,0,0,0,0,0|2,0,0]=4 61 B7R0.4 CC(=O)CCCCCl AM90172 [2,0,0,0,0,0|1,0,0]=3 62 B7R0.4 CC(=O)NCCCN AMY36360 [2,0,0,0,0,0|2,0,0]=4 63 B7R0.4 CCCCC[C@@H](C)O AMY25723 [2,0,0,0,0,0|0,0,2]=4 64 B7R0.4 CCCCC[C@H](C)N AMY3809 [2,0,0,0,0,0|1,0,1]=4 65 B7R0.4 CCCCOC(C)=O AMY11075 [2,0,0,0,0,0|1,0,0]=3 66 B7R0.4 CCCOCC(=O)O AMY4018 [2,0,0,0,0,0|2,0,0]=4 67 B7R0.4 CCC\C=C\[N+](=O)[O-] AMY23948 [2,0,0,0,0,0|2,0,0]=4 68 B7R0.4 CCO\C=C\C(=O)Cl AMY22514 [2,0,0,0,0,0|2,0,0]=4 69 B7R0.4 CCO\C=C\C(=O)O AMY9262 [2,0,0,0,0,0|2,0,0]=4 70 B7R0.4 CNCCCC(=O)O AMY5046 [2,0,0,0,0,0|2,0,0]=4 71 B7R0.4 CNCCOC(C)=O AMY15057 [2,0,0,0,0,0|2,0,0]=4 72 B7R0.4 NCCCCC(=O)O AM82459 [2,0,0,0,0,0|2,0,0]=4 73 B7R0.4 NCCCCC(=O)O AMY39227 [2,0,0,0,0,0|2,0,0]=4 74 B7R0.4 O=C(Cl)CCCCBr AM85775 [2,0,0,0,0,0|2,0,0]=4 75 B7R0.4 O=C(Cl)CCCCCl AMY12305 [2,0,0,0,0,0|2,0,0]=4 76 B7R0.4 O=C(O)CCCCBr AM85660 [2,0,0,0,0,0|2,0,0]=4 77 B7R0.4 O=C(O)CCCCCl AMY40897 [2,0,0,0,0,0|2,0,0]=4 78 B9R0.45 CCCCCCCCC=O AMY15728 [1,1,0,0,0,0|0,0,2]=4 79 B9R0.47 C=C(C)C(=O)OCCCC AMY4150 [1,1,0,0,0,0|2,0,0]=4 80 B9R0.47 CCCCC[C@H](C)C(=O)O AMY25539 [1,1,0,0,0,0|1,0,1]=4 81 B11R0.111 COC(=O)CCCCCC(C)C AM20120585 [0,2,0,0,0,0|0,0,2]=4 82 B11R0.77 C=C[C@H](CCCCC)OC(C)=O AM84828 [0,2,0,0,0,0|1,0,1]=4 83 B11R0.4 CCCCCCOC(=O)CC#N AMY3820 [0,2,0,0,0,0|1,0,1]=4 84 B9R1.8 O=CCC1CCCCC1 AMY24044 [1,0,0,1,0,0|0,0,2]=4 85 B9R1.12 N#C\C=C\C1CCCC1 AMY1240 [1,0,0,1,0,0|1,0,1]=4 86 B9R1.50 O=C1CCCCCCC1 AMY3996 [1,0,0,1,0,0|0,0,2]=4 87 B9R1.50 O=C1CCCCCCN1 AM20100621 [1,0,0,1,0,0|1,0,1]=4 88 B9R1.89 O=CC1CCCCCC1 AMY21681 [1,0,0,1,0,0|0,0,2]=4 89 B9R1.2 NC[C@H]1CCNC(=O)C1 AM803060 [1,0,0,1,0,0|2,0,0]=4 90 B9R1.2 O=C1CCC[C@H](CO)C1 AMY18909 [1,0,0,1,0,0|1,0,1]=4 91 B9R1.6 CC(=O)C1CCCCC1 AM20070516 [1,0,0,1,0,0|0,0,1]=3 92 B9R1.6 CC(=O)C1CCNCC1 AM20090433 [1,0,0,1,0,0|1,0,1]=4 93 B9R1.6 CC(=O)C1CCNCC1 AMY40616 [1,0,0,1,0,0|1,0,1]=4 94 B9R1.6 CC(=O)C1CCOCC1 AM803183 [1,0,0,1,0,0|1,0,1]=4 95 B9R1.6 CC(=O)N1CCNCC1 AM20080291 [1,0,0,1,0,0|2,0,0]=4 96 B9R1.6 CC(=O)N1CCOCC1 AMY10034 [1,0,0,1,0,0|2,0,0]=4 97 B9R1.6 CC(=O)[C@@H]1CCCCN1 AM20120390 [1,0,0,1,0,0|1,0,1]=4 98 B9R1.6 CC(=O)[C@H]1CCCNC1 AM20100792 [1,0,0,1,0,0|1,0,1]=4 99 B9R1.6 CC(C)=C1CCOCC1 AMY6092 [1,0,0,1,0,0|2,0,0]=4 100 B9R1.6 O=C(O)C1=CCCCC1 AMY12562 [1,0,0,1,0,0|1,0,0]=3 101 B9R1.6 O=C(O)C1=CCCCO1 AMY25035 [1,0,0,1,0,0|2,0,0]=4 102 B9R1.6 O=C(O)C1=CCCNC1 AMY32578 [1,0,0,1,0,0|2,0,0]=4 103 B9R1.6 O=C(O)C1=CCNCC1 AMY32016 [1,0,0,1,0,0|2,0,0]=4 104 B9R1.6 O=C(O)C1CCCCC1 AM20070525 [1,0,0,1,0,0|1,0,1]=4 105 B9R1.7 CCC[C@H]1COC(=O)C1 AMY16477 [1,0,0,1,0,0|1,0,0]=3 106 B9R1.13 O=C(O)CC1CCCC1 AMY18728 [1,0,0,1,0,0|1,0,1]=4 107 B11R1.53 CC(=O)N1CCCC[C@@H]1CN AM91396 [0,1,0,1,0,0|1,0,1]=4 108 B11R1.53 CC(=O)N1CCCC[C@@H]1CO AM100444 [0,1,0,1,0,0|1,0,1]=4 109 B11R1.86 CC(=O)NC1CCCCC1N AM91541 [0,1,0,1,0,0|1,0,1]=4 110 B11R1.86 CC(=O)OC1CCCCC1C AMY307 [0,1,0,1,0,0|0,0,2]=4 111 B11R1.91 CC(=O)NC[C@H]1CCCCN1 AM101776 [0,1,0,1,0,0|1,0,1]=4 112 B11R1.91 CC(=O)NC[C@H]1CCCNC1 AM101543 [0,1,0,1,0,0|1,0,1]=4 113 B11R1.193 CNC[C@H]1CCCN1C(C)=O AM93722 [0,1,0,1,0,0|1,0,1]=4 114 B11R1.193 CNC[C@H]1CCCN1C(C)=O AM96687 [0,1,0,1,0,0|1,0,1]=4 115 B11R1.230 CCCCN1N=C(C)C=C1N AM9892 [0,1,0,1,0,0|2,0,0]=4 116 B11R1.20 CC(=O)NC1CCC(Br)CC1 AM100882 [0,1,0,1,0,0|1,0,1]=4 117 B11R1.20 CC(=O)NC1CCC(Cl)CC1 AM94324 [0,1,0,1,0,0|1,0,1]=4 118 B11R1.20 CC(=O)NC1CCC(I)CC1 AM94860 [0,1,0,1,0,0|1,0,1]=4 119 B11R1.20 CC(=O)NC1CCC(N)CC1 AM100317 [0,1,0,1,0,0|1,0,1]=4 120 B11R1.20 CC(=O)N[C@H]1CC[C@H](N)CC1 AM101430 [0,1,0,1,0,0|1,0,1]=4 121 B11R1.25 COC(=O)CNC1CCCC1 AM20090117 [0,1,0,1,0,0|1,0,1]=4 122 B11R1.25 COC(=O)CNC1CCCC1 AM83669 [0,1,0,1,0,0|1,0,1]=4 123 B11R1.40 COC(=O)C=C1CCCCC1 AMY32480 [0,1,0,1,0,0|0,0,0]=2 124 B11R1.40 O=C(CCl)OC1CCCCC1 AM804247 [0,1,0,1,0,0|1,0,1]=4 125 B11R2.10 O=C1C=C2CNCC[C@@H]2S1 AM20080101 [0,0,0,2,0,0|2,0,0]=4 126 B11R2.10 O=C1C=C2CNCC[C@@H]2S1 AMY15267 [0,0,0,2,0,0|2,0,0]=4 127 B11R2.433 O=C1CC2CCN(CC2)C1 AM806444 [0,0,0,2,0,0|1,0,1]=4