0 B14R1.694 CC=1CC[C@@H](CC1)C(C)(C)NC(C)=O Amb25752557 [0,0,0,0,0,0|1,0,0]=1 1 B14R1.694 CC=1CC[C@H](CC1)C(C)(C)NC(C)=O Amb24639170 [0,0,0,0,0,0|1,0,0]=1 2 B14R1.694 C[C@@H]1CC[C@H](CC1)C(C)(C)CC(O)=O Amb24693850 [0,0,0,0,0,0|2,0,2]=4 3 B13R1.29 CC=1CCC(CC1)C(C)(C)OC=O Amb22338568 [1,0,0,0,0,0|0,0,0]=1 4 B13R1.29 CC=1CC[C@H](CC1)C(C)(C)N=[N+]=[N-] Amb25758725 [1,0,0,0,0,0|3,0,0]=4 5 B13R1.132 CC(NC(C)=O)C1CCN(C)CC1 Amb25345672 [1,0,0,0,0,0|2,0,1]=4 6 B13R1.132 CC=1CCC(CC1)C(=C)CC(C)=O Amb24690624 [1,0,0,0,0,0|1,0,2]=4 7 B13R1.132 CC=1CCC(CC1)C(O)CC(O)=O Amb18129416 [1,0,0,0,0,0|3,0,0]=4 8 B13R1.132 CC=1CCC(CC1)\C(\C)=C/C(C)=O Amb24602929 [1,0,0,0,0,0|1,0,1]=3 9 B13R1.132 CC=1CCC(CC1)\C(\C)=C\C(C)=O Amb25050230 [1,0,0,0,0,0|1,0,1]=3 10 B13R1.132 CC=1CCC(CC1)\C(\C)=C\C(O)=O Amb18648402 [1,0,0,0,0,0|2,0,1]=4 11 B13R1.132 CC=1CCN(CC1)C(C)CC(N)=O Amb25730776 [1,0,0,0,0,0|3,0,0]=4 12 B13R1.132 CC=1CC[C@H](CC1)\C(\C)=C\C(C)=O Amb24690751 [1,0,0,0,0,0|1,0,1]=3 13 B13R1.132 CC=1CC\C(\CC1)=C(/C)\CC(C)=O Amb25094417 [1,0,0,0,0,0|1,0,2]=4 14 B13R1.347 CC(=O)NC(C)(C)C1CCCCC1 Amb25846794 [1,0,0,0,0,0|1,0,2]=4 15 B13R1.347 CC(=O)NC(C)(C)C1CCOCC1 Amb25822855 [1,0,0,0,0,0|2,0,1]=4 16 B15R1.214 CCC1CCC(CC1)C(C)(C)CC(C)=O Amb24097550 [0,1,0,0,0,0|1,0,2]=4 17 B15R1.979 CC=1CCC(CC1)C(C)(C)OC(=O)CC Amb22353474 [0,1,0,0,0,0|0,0,0]=1 18 B13R0.856 CC(CCCC(C)(C)OC(C)=O)C=C Amb22732136 [0,0,1,0,0,0|0,0,2]=3 19 B15R2.18922 CC=1CCC(CC1)C2(C)CCC(=O)O2 Amb25116688 [0,0,0,1,0,0|0,0,0]=1 20 B15R2.18922 CC=1CCC(CC1)C2(C)CCC(O)O2 Amb25219294 [0,0,0,1,0,0|0,0,2]=3 21 B15R2.18922 CC=1CC[C@@H](CC1)[C@]2(C)CCC(O)O2 Amb24592430 [0,0,0,1,0,0|0,0,2]=3 22 B15R2.62929 CC1(C)NC(=O)CC12CCC(C)CC2 Amb25808837 [0,0,0,1,0,0|1,0,2]=4 23 B13R1.522 CC=1CCN(CC1)C(C)(C)C(O)=O Amb18636698 [0,0,0,0,1,0|2,0,0]=3 24 B13R1.522 CN1CCC(CC1)C(C(=O)O)(C)C Amb13885879 [0,0,0,0,1,0|2,0,1]=4 25 B12R0.176 CC(CCCC(C)(C)OC=O)C=C Amb22730878 [1,0,1,0,0,0|0,0,2]=4 26 B12R1.9 CC=1CCC(CC1)C(C)(C)C=O Amb24497239 [2,0,0,0,0,0|0,0,0]=2 27 B12R1.9 COC(C)(C)C1CC=C(C)CC1 Amb24487172 [2,0,0,0,0,0|0,0,0]=2 28 B12R1.9 COC(C)(C)C1CCC(=O)CC1 Amb25053133 [2,0,0,0,0,0|1,0,1]=4 29 B12R1.16 CC(CC=O)C1CC=C(C)CC1 Amb18646639 [2,0,0,0,0,0|1,0,0]=3 30 B12R1.16 CC(CC=O)[C@@H]1CC=C(C)CC1 Amb25834417 [2,0,0,0,0,0|1,0,0]=3 31 B12R1.16 CC(N=C=O)C1CC=C(C)CC1 Amb25137157 [2,0,0,0,0,0|1,0,1]=4 32 B12R1.16 CC(N=C=O)[C@H]1CC=C(C)CC1 Amb25702435 [2,0,0,0,0,0|1,0,1]=4 33 B12R1.16 CC=1CCC(CC1)C(C)=CC=O Amb24753906 [2,0,0,0,0,0|1,0,1]=4 34 B12R1.16 CC=1CCC(CC1)\C(\C)=C/C=O Amb24437203 [2,0,0,0,0,0|1,0,1]=4 35 B12R1.16 CC=1CCC(CC1)\C(\C)=C\C=O Amb25799616 [2,0,0,0,0,0|1,0,1]=4 36 B12R1.16 CC=1CC[C@@H](CC1)\C(\C)=C\C=O Amb22546612 [2,0,0,0,0,0|1,0,1]=4 37 B12R1.16 C[C@@H](CC=O)[C@H]1CC=C(C)CC1 Amb25326659 [2,0,0,0,0,0|1,0,0]=3 38 B12R1.21 CC=1CCC(CC1)\C=C\C(C)=O Amb24614791 [2,0,0,0,0,0|1,0,1]=4 39 B12R1.21 CC=1CCC(CCC(N)=O)CC1 Amb25152389 [2,0,0,0,0,0|2,0,0]=4 40 B12R1.107 CC(=O)CC(O)C1CCC=CC1 Amb25767811 [2,0,0,0,0,0|2,0,0]=4 41 B12R1.107 CC(CC(O)=O)C1CCC=CC1 Amb25218280 [2,0,0,0,0,0|2,0,0]=4 42 B12R1.107 C[C@@H](OC(C)=O)C1CCCCC1 Amb24351789 [2,0,0,0,0,0|0,0,2]=4 43 B12R1.107 C[C@H](OC(C)=O)C1CCCCC1 Amb25182859 [2,0,0,0,0,0|0,0,2]=4 44 B12R1.107 C[C@H](OC(C)=O)C1CCOCC1 Amb25160360 [2,0,0,0,0,0|1,0,1]=4 45 B14R0.1530 CC\C(\C)=C\CCC(C)(C=C)OC(C)=O Amb22732509 [0,1,1,0,0,0|0,0,1]=3 46 B14R1.125 CC=1CCC(CC1)C(C)(O)\C=C\C=O Amb18651981 [1,1,0,0,0,0|2,0,0]=4 47 B14R1.6048 CC1CC(C)=CCC1C(O)CC(C)=O Amb25092010 [1,1,0,0,0,0|2,0,0]=4 48 B14R1.699 CC(C)(C1CC=C(C)C(O)C1)C(C)=O Amb24748231 [0,1,0,0,1,0|0,0,0]=2 49 B14R1.699 CC(C)([C@@H]1CC=C(C)[C@@H](O)C1)C(C)=O Amb25256709 [0,1,0,0,1,0|0,0,0]=2 50 B16R1.1049 CC=1CCC(CC1)C(C)(C)OC(=O)C(C)C Amb22338481 [0,1,0,0,0,1|1,0,1]=4 51 B16R1.953 CC=1CCC(CC1)C(C)(C)OC(=O)CCC Amb22336557 [0,2,0,0,0,0|0,0,0]=2 52 B14R2.4643 CC1CC[C@H]2[C@@H](N1)C(=O)OC2(C)C Amb25295344 [1,0,0,1,0,0|1,0,1]=4 53 B14R2.4643 CC1CC[C@H]2[C@H](N1)C(=O)OC2(C)C Amb25179162 [1,0,0,1,0,0|1,0,1]=4 54 B14R2.20678 CC=1CCC(CC1)C2(C)CC(=O)C2 Amb25298380 [1,0,0,1,0,0|1,0,0]=3 55 B14R2.20678 CC=1CCC(CC1)C2(C)CC(=O)N2 Amb25110055 [1,0,0,1,0,0|1,0,0]=3 56 B14R2.24538 CC1=CC(=O)CC2CC1CC=C2C Amb24646707 [1,0,0,1,0,0|1,0,1]=4 57 B14R2.29365 CC=1CC2CC(=O)CC(C)C2CC1 Amb24736397 [1,0,0,1,0,0|1,0,0]=3 58 B14R2.29365 CC=1CCC2C(CC(=O)CC2C)C1 Amb25815809 [1,0,0,1,0,0|1,0,0]=3 59 B14R2.29365 CC=1CC[C@@H]2[C@@H](CC(=O)C=C2C)C1 Amb25202651 [1,0,0,1,0,0|1,0,1]=4 60 B14R2.29365 CC=1CC[C@@H]2[C@@H](CC(=O)C[C@H]2C)C1 Amb25252234 [1,0,0,1,0,0|1,0,0]=3 61 B14R2.36560 CC(=O)OC1C[N+]2(C)CCC1CC2 Amb2224448 [1,0,0,1,0,0|1,0,1]=4 62 B14R2.10593 CC=1CCC(CC1)C2(C)CCC2O Amb25739782 [0,0,0,1,1,0|0,0,2]=4 63 B14R2.10593 CC=1CCC(CC1)[C@]2(C)CC[C@@H]2O Amb24541562 [0,0,0,1,1,0|0,0,2]=4 64 B14R2.5728 CC(=O)OC1(C)C[C@H]2[C@@H](O)CC[C@@H]12 Amb25220982 [0,0,0,1,1,0|1,0,1]=4 65 B14R2.30756 CC1(C)C(C(C)=O)C2(C)CC1CC2 Amb25344781 [0,0,0,1,1,0|1,0,1]=4 66 B12R1.20 CC(=O)C(=O)C1CC=C(C)CC1 Amb25717702 [1,0,0,0,1,0|1,0,1]=4 67 B12R1.20 CC=1CCN(CC1)C(C)C(O)=O Amb18118558 [1,0,0,0,1,0|2,0,0]=4 68 B12R1.20 CC=1CC[C@@H](CC1)[C@H](C)C(O)=O Amb25210531 [1,0,0,0,1,0|1,0,0]=3 69 B12R1.20 CC=1CC[C@H](CC1)[C@@H](C)C(O)=O Amb24711386 [1,0,0,0,1,0|1,0,0]=3 70 B12R1.20 CC=1CC[C@H](CC1)[C@H](C)C(O)=O Amb24511953 [1,0,0,0,1,0|1,0,0]=3 71 B12R1.253 CC(C)(C(O)=O)N1CC=CCC1 Amb18118541 [1,0,0,0,1,0|2,0,0]=4 72 B12R1.253 CC(C)(C1CC=CCC1)C(O)=O Amb25790650 [1,0,0,0,1,0|1,0,0]=3 73 B12R1.259 CC(=O)CC(C)(C)C1CC=CC1 Amb25714289 [1,0,0,0,1,0|1,0,0]=3 74 B12R1.259 CC(=O)CC(C)(C)C1CCC=C1 Amb25093781 [1,0,0,0,1,0|1,0,0]=3 75 B12R1.259 CC(=O)CC(C)(C)C1CCCC1 Amb24623285 [1,0,0,0,1,0|1,0,1]=4 76 B12R1.838 CC(C)(C1CC(=O)CC1)C(O)=O Amb24532570 [0,0,0,0,2,0|2,0,0]=4 77 B12R1.838 CC(C)([C@H]1CC(=C)CC1)C(O)=O Amb24458018 [0,0,0,0,2,0|1,0,1]=4 78 B12R1.838 CC(C)([C@H]1CC(=O)CC1)C(O)=O Amb24652350 [0,0,0,0,2,0|2,0,0]=4 79 B12R1.838 CC1CCC(C1)C(C)(C)C(N)=O Amb25288117 [0,0,0,0,2,0|1,0,1]=4 80 B12R1.838 CC=1CC(CC1)C(C)(C)C(N)=O Amb25700881 [0,0,0,0,2,0|1,0,0]=3 81 B12R1.838 CC=1C[C@@H](CC1)C(C)(C)C(C)=O Amb24737571 [0,0,0,0,2,0|0,0,0]=2 82 B12R1.838 CC=1C[C@@H](CC1)C(C)(C)C(O)=O Amb25858103 [0,0,0,0,2,0|1,0,0]=3 83 B14R1.678 CC=1CCC(CC1)C(C)=COC(C)=O Amb24064968 [1,0,0,0,0,1|0,0,1]=3 84 B14R1.7626 CC=1CCN(CC1)CC(C)(C)C(O)=O Amb25182468 [0,0,0,0,1,1|2,0,0]=4