0 B10R0.79 CC(O)CN(CCO)CCO MCULE-8265478234 [0,0,0,0,0,0|1,0,1]=2 1 B10R0.79 CCCC(=CC(=O)O)CCC MCULE-3052769948 [0,0,0,0,0,0|3,0,1]=4 2 B10R0.79 CCCC(CCC)CC(=O)O MCULE-8562449211 [0,0,0,0,0,0|3,0,0]=3 3 B10R0.79 CCCN(CCC)CC(=O)O MCULE-8482027545 [0,0,0,0,0,0|2,0,0]=2 4 B10R0.79 O=C(O)CN(CCO)CCO MCULE-4763691774 [0,0,0,0,0,0|0,0,0]=0 5 B9R0.14 CCCC(CC)CC(=O)O MCULE-7716353443 [1,0,0,0,0,0|2,0,0]=3 6 B9R0.17 C#CCN(CCO)CCO MCULE-2614797118 [1,0,0,0,0,0|1,0,1]=3 7 B9R0.17 C=CCN(CC=C)CCO MCULE-6916504378 [1,0,0,0,0,0|2,0,1]=4 8 B9R0.17 C=CCN(CCO)CCO MCULE-9906308544 [1,0,0,0,0,0|1,0,0]=2 9 B9R0.17 CCCN(CCO)CCO MCULE-5495072978 [1,0,0,0,0,0|1,0,1]=3 10 B9R0.17 NCCN(CCN)CCO MCULE-9958329347 [1,0,0,0,0,0|2,0,1]=4 11 B9R0.17 NCCN(CCO)CCO MCULE-7387442418 [1,0,0,0,0,0|1,0,1]=3 12 B9R0.17 OCCN(CCCl)CCCl MCULE-4674489986 [1,0,0,0,0,0|2,0,1]=4 13 B9R0.17 OCCN(CCCl)CCCl MCULE-9088118184 [1,0,0,0,0,0|2,0,1]=4 14 B9R0.17 OCCN(CCO)CCO MCULE-1846755153 [1,0,0,0,0,0|0,0,1]=2 15 B9R0.17 OCCN(CCO)CCO MCULE-3272131464 [1,0,0,0,0,0|0,0,1]=2 16 B9R0.17 OCCN(CCO)CCO MCULE-4953204374 [1,0,0,0,0,0|0,0,1]=2 17 B11R0.35 CC(O)CN(CCO)CC(C)O MCULE-8294248004 [0,1,0,0,0,0|1,0,1]=3 18 B11R0.35 CCCC(CC(=O)O)CC(=O)O MCULE-6540318880 [0,1,0,0,0,0|2,0,1]=4 19 B11R0.35 CCCN(CC(C)O)CC(C)O MCULE-3775241848 [0,1,0,0,0,0|2,0,1]=4 20 B11R0.35 NCCN(CC(=O)O)CC(=O)O MCULE-4683503349 [0,1,0,0,0,0|1,0,1]=3 21 B11R0.35 NCCN(CC(=O)O)CC(=O)O MCULE-8211206299 [0,1,0,0,0,0|1,0,1]=3 22 B11R0.35 O=C(O)CN(CCO)CC(=O)O MCULE-4207926497 [0,1,0,0,0,0|0,0,1]=2 23 B11R0.98 CC(C(=O)O)N(CCO)CCO MCULE-5701180520 [0,1,0,0,0,0|0,0,0]=1 24 B11R0.98 CCCN(CCC)C(C)C(=O)O MCULE-3569151704 [0,1,0,0,0,0|2,0,0]=3 25 B11R0.98 CCCN(CCC)[C@@H](C)C(=O)O MCULE-7555412277 [0,1,0,0,0,0|2,0,0]=3 26 B11R0.279 CCCN(CCC)CC(=O)NN MCULE-5940311810 [0,1,0,0,0,0|3,0,0]=4 27 B11R0.352 CCCC(O)(CCC)CC(=O)O MCULE-8726903905 [0,1,0,0,0,0|3,0,0]=4 28 B11R1.34 C[C@H]1CN(C[C@H](O1)C)CCO MCULE-8808253129 [0,0,0,1,0,0|2,0,1]=4 29 B11R1.57 O=C(O)CN1CCCC1CBr MCULE-5679582185 [0,0,0,1,0,0|2,0,0]=3 30 B11R1.57 O=C(O)CN1CCCC1CCl MCULE-2614095966 [0,0,0,1,0,0|2,0,0]=3 31 B11R1.57 O=C(O)CN1CCCC1CI MCULE-2547746402 [0,0,0,1,0,0|2,0,0]=3 32 B11R1.57 O=C(O)CN1CCCC1CO MCULE-9577753530 [0,0,0,1,0,0|1,0,0]=2 33 B11R1.57 O=C(O)CN1CCC[C@H]1CO MCULE-1472111718 [0,0,0,1,0,0|1,0,0]=2 34 B11R1.80 O[C@H]1CN(C[C@H]1O)CC(F)F MCULE-2840864310 [0,0,0,1,0,0|2,0,1]=4 35 B11R1.157 CC(=O)CN1CCCC(C1)C MCULE-9981826384 [0,0,0,1,0,0|3,0,0]=4 36 B11R1.157 CC1CCCC(C1)CC(=O)O MCULE-8177394227 [0,0,0,1,0,0|3,0,0]=4 37 B11R1.157 CC1CCCN(C1)CC(=O)O MCULE-6740436113 [0,0,0,1,0,0|2,0,0]=3 38 B11R1.157 CC1CCCN(C1)CC(=O)O MCULE-8756904184 [0,0,0,1,0,0|2,0,0]=3 39 B11R1.157 NC(=O)CN1CCCC(C1)N MCULE-2173547742 [0,0,0,1,0,0|3,0,0]=4 40 B11R1.157 NC(=O)CN1CCCC(C1)N MCULE-3386931476 [0,0,0,1,0,0|3,0,0]=4 41 B11R1.157 O=C(O)CN1CCCC(C1)Br MCULE-2565385665 [0,0,0,1,0,0|2,0,0]=3 42 B11R1.157 O=C(O)CN1CCCC(C1)Cl MCULE-9457969876 [0,0,0,1,0,0|2,0,0]=3 43 B11R1.157 O=C(O)CN1CCCC(C1)I MCULE-1878633684 [0,0,0,1,0,0|2,0,0]=3 44 B11R1.157 O=C(O)CN1CCCC(C1)O MCULE-4186047458 [0,0,0,1,0,0|1,0,0]=2 45 B11R1.157 O=C(O)CN1CCC[C@@H](C1)O MCULE-3402932405 [0,0,0,1,0,0|1,0,0]=2 46 B11R1.157 O=C(O)CN1CCC[C@H](C1)O MCULE-4870964189 [0,0,0,1,0,0|1,0,0]=2 47 B11R1.157 O=C(O)CN1CCNC(=O)C1 MCULE-4021947928 [0,0,0,1,0,0|1,0,2]=4 48 B11R1.157 O=C(O)CN1CCNC(=O)C1 MCULE-8867275494 [0,0,0,1,0,0|1,0,2]=4 49 B11R1.157 O=C(O)CN1CCOC(=O)C1 MCULE-8468609722 [0,0,0,1,0,0|0,0,2]=3 50 B11R1.193 C=CCN1CCCC1C(=O)O MCULE-2345747350 [0,0,0,1,0,0|2,0,1]=4 51 B11R1.193 C=CCN1CCC[C@H]1C(=O)O MCULE-2257750734 [0,0,0,1,0,0|2,0,1]=4 52 B11R1.193 C=CCN1CCC[C@H]1C(=O)O MCULE-8484836425 [0,0,0,1,0,0|2,0,1]=4 53 B11R1.193 CC(C)C1OCCN1CCO MCULE-7650022823 [0,0,0,1,0,0|2,0,1]=4 54 B11R1.193 CCCC1CCCC1C(=O)O MCULE-1492543766 [0,0,0,1,0,0|3,0,0]=4 55 B11R1.193 CCCC1CCNC1C(=O)O MCULE-3288508053 [0,0,0,1,0,0|3,0,0]=4 56 B11R1.193 CCCC1CCNC1C(=O)O MCULE-8057933085 [0,0,0,1,0,0|3,0,0]=4 57 B11R1.193 CCCN1CCCC1C(=O)O MCULE-8751998851 [0,0,0,1,0,0|2,0,0]=3 58 B11R1.193 CCCN1CCC[C@H]1C(=O)O MCULE-2240941812 [0,0,0,1,0,0|2,0,0]=3 59 B11R1.193 CCCN1CCC[C@H]1C(=O)O MCULE-4921696951 [0,0,0,1,0,0|2,0,0]=3 60 B11R1.193 O=C(O)C1CNCC1CCO MCULE-3831742896 [0,0,0,1,0,0|3,0,0]=4 61 B11R1.342 CC1(CN(CCO1)CCO)C MCULE-5419008275 [0,0,0,1,0,0|2,0,1]=4 62 B11R1.742 CC(=O)CN1CCCCCC1 MCULE-5319693118 [0,0,0,1,0,0|3,0,0]=4 63 B11R1.742 CC(=O)CN1CCCCCC1 MCULE-8763178253 [0,0,0,1,0,0|3,0,0]=4 64 B11R1.742 NC(=O)CN1CCCCCC1 MCULE-5945622165 [0,0,0,1,0,0|3,0,0]=4 65 B11R1.742 NC(=O)CN1CCCNCC1 MCULE-5276262579 [0,0,0,1,0,0|3,0,0]=4 66 B11R1.742 NC(=O)CN1CCCNCC1 MCULE-6950928492 [0,0,0,1,0,0|3,0,0]=4 67 B11R1.742 O=C(O)CC1CCC=CCC1 MCULE-8122130448 [0,0,0,1,0,0|3,0,0]=4 68 B11R1.742 O=C(O)CC1CCCCCC1 MCULE-3247091796 [0,0,0,1,0,0|3,0,0]=4 69 B11R1.742 O=C(O)CC1CCCNCC1 MCULE-1259156999 [0,0,0,1,0,0|3,0,0]=4 70 B11R1.742 O=C(O)CC1CCCNCC1 MCULE-8862658650 [0,0,0,1,0,0|3,0,0]=4 71 B11R1.742 O=C(O)CC1CCCOCC1 MCULE-7663320476 [0,0,0,1,0,0|2,0,0]=3 72 B11R1.742 O=C(O)CN1CCCCCC1 MCULE-1178025352 [0,0,0,1,0,0|2,0,0]=3 73 B11R1.742 O=C(O)CN1CCCCCC1 MCULE-1252489424 [0,0,0,1,0,0|2,0,0]=3 74 B11R1.742 O=C(O)CN1CCCNCC1 MCULE-7410717770 [0,0,0,1,0,0|2,0,0]=3 75 B11R1.742 O=C(O)CN1CCCNCC1 MCULE-8199207666 [0,0,0,1,0,0|2,0,0]=3 76 B9R0.15 CC(=O)N(CCCl)CCCl MCULE-5092444869 [0,0,0,0,1,0|3,0,0]=4 77 B9R0.15 CC(=O)N(CCO)CCO MCULE-1068519018 [0,0,0,0,1,0|1,0,0]=2 78 B9R0.15 CC(C)N(CCO)CCO MCULE-3690314576 [0,0,0,0,1,0|2,0,1]=4 79 B9R0.15 CC(C)N(CCO)CCO MCULE-6455361822 [0,0,0,0,1,0|2,0,1]=4 80 B9R0.15 CCCC(CCC)C(=O)O MCULE-7136317196 [0,0,0,0,1,0|3,0,0]=4 81 B9R0.15 CCCN(CCC)C(=O)C MCULE-3393111489 [0,0,0,0,1,0|3,0,0]=4 82 B9R0.15 CCCN(CCC)C(=O)Cl MCULE-6057450753 [0,0,0,0,1,0|3,0,0]=4 83 B9R0.15 NC(=O)N(CCCl)CCCl MCULE-6816554376 [0,0,0,0,1,0|3,0,0]=4 84 B9R0.15 NC(=O)N(CCO)CCO MCULE-7535606627 [0,0,0,0,1,0|1,0,0]=2 85 B9R0.15 NCCC(CCN)C(=O)O MCULE-3747615668 [0,0,0,0,1,0|3,0,0]=4 86 B9R0.15 NCCC(CCN)C(=O)O MCULE-8055618051 [0,0,0,0,1,0|3,0,0]=4 87 B9R0.15 O=C(Cl)N(CCCl)CCCl MCULE-9842448853 [0,0,0,0,1,0|3,0,0]=4 88 B11R0.280 CCCC(CCC)CCC(=O)O MCULE-2758574417 [0,0,0,0,0,1|3,0,0]=4 89 B11R0.280 CCCN(CCC)CCC(=O)O MCULE-6610337876 [0,0,0,0,0,1|2,0,0]=3 90 B11R0.280 N=C(N)CCN(CCO)CCO MCULE-2801448270 [0,0,0,0,0,1|2,0,0]=3 91 B11R0.280 N=C(N)CCN(CCO)CCO MCULE-6883438675 [0,0,0,0,0,1|2,0,0]=3 92 B8R0.5 CC(=O)CN(C)CCO MCULE-4972701308 [2,0,0,0,0,0|1,0,0]=3 93 B8R0.5 CC(O)CN(C)CCO MCULE-4977568845 [2,0,0,0,0,0|1,0,1]=4 94 B8R0.5 CCCC(C)CC(=O)O MCULE-6002154473 [2,0,0,0,0,0|2,0,0]=4 95 B8R0.5 CCCC(O)CC(=O)O MCULE-3158579605 [2,0,0,0,0,0|2,0,0]=4 96 B8R0.5 CCCN(C)CC(=O)O MCULE-2690950295 [2,0,0,0,0,0|1,0,0]=3 97 B8R0.5 CCCN(C)CC(=O)O MCULE-9588106269 [2,0,0,0,0,0|1,0,0]=3 98 B8R0.5 CN(CCO)CC(=O)O MCULE-9266824629 [2,0,0,0,0,0|0,0,0]=2 99 B8R0.5 NCCC(O)CC(=O)O MCULE-3095949832 [2,0,0,0,0,0|2,0,0]=4 100 B8R0.5 NCCC(O)CC(=O)O MCULE-8864780829 [2,0,0,0,0,0|2,0,0]=4 101 B8R0.16 CCC(=CC(=O)O)CC MCULE-1347248467 [2,0,0,0,0,0|1,0,1]=4 102 B8R0.16 CCC(CC(=O)O)OC MCULE-7066116722 [2,0,0,0,0,0|2,0,0]=4 103 B8R0.16 CCC(CC(=O)O)SC MCULE-6546556452 [2,0,0,0,0,0|2,0,0]=4 104 B8R0.16 CCC(CC)CC(=O)C MCULE-6127320575 [2,0,0,0,0,0|2,0,0]=4 105 B8R0.16 CCC(CC)CC(=O)N MCULE-7974720854 [2,0,0,0,0,0|2,0,0]=4 106 B8R0.16 CCC(CC)CC(=O)O MCULE-1604696319 [2,0,0,0,0,0|1,0,0]=3 107 B8R0.16 CCN(CC)CC(=O)C MCULE-9148873435 [2,0,0,0,0,0|1,0,0]=3 108 B8R0.16 CCN(CC)CC(=O)N MCULE-6912193750 [2,0,0,0,0,0|1,0,0]=3 109 B8R0.16 CCN(CC)CC(=O)O MCULE-3120416437 [2,0,0,0,0,0|0,0,0]=2 110 B8R0.16 CCN(CC)CC(=O)O MCULE-4968287986 [2,0,0,0,0,0|0,0,0]=2 111 B8R0.16 CCN(CC)CC(=O)[O-] MCULE-5593114931 [2,0,0,0,0,0|0,0,1]=3 112 B8R0.16 CCN(CC)CC(C)O MCULE-9610800748 [2,0,0,0,0,0|1,0,1]=4 113 B8R0.16 NCC(CO)CC(=O)O MCULE-2939268634 [2,0,0,0,0,0|2,0,0]=4 114 B8R0.22 CCCN(C=O)CCC MCULE-8028235265 [2,0,0,0,0,0|2,0,0]=4 115 B8R0.22 CCN(CCN)CCO MCULE-1658493713 [2,0,0,0,0,0|1,0,1]=4 116 B8R0.22 CCN(CCO)CCO MCULE-8854089180 [2,0,0,0,0,0|0,0,1]=3 117 B8R0.22 O=NN(CCO)CCO MCULE-4003882124 [2,0,0,0,0,0|1,0,0]=3 118 B10R0.29 CCCC(CC)CC(=O)OC MCULE-4866727110 [1,1,0,0,0,0|2,0,0]=4 119 B10R0.70 CCC(CC(=O)O)CC(C)C MCULE-6944277794 [1,1,0,0,0,0|2,0,0]=4 120 B10R0.70 CCN(CC(C)O)CC(C)O MCULE-5788318163 [1,1,0,0,0,0|1,0,1]=4 121 B10R0.87 CCCCC(CC)CC(=O)O MCULE-3612456700 [1,1,0,0,0,0|2,0,0]=4 122 B10R0.90 CCCCN(CCO)CCO MCULE-2060572645 [1,1,0,0,0,0|1,0,1]=4 123 B10R0.90 NCCCN(CCO)CCO MCULE-1292608437 [1,1,0,0,0,0|1,0,1]=4 124 B10R0.107 C[N+](CCO)(CCO)CCO MCULE-1022512623 [1,1,0,0,0,0|0,0,2]=4 125 B10R0.107 C[N+](CCO)(CCO)CCO MCULE-7283288837 [1,1,0,0,0,0|0,0,2]=4 126 B10R0.88 CCCC(CCCO)C(=O)O MCULE-4581279785 [0,1,0,0,1,0|2,0,0]=4 127 B12R0.166 N[C@@H](CN(CCO)CCO)C(=O)O MCULE-8263881704 [0,1,0,0,0,1|0,0,0]=2 128 B12R0.547 O=S(=O)(O)CCN(CCO)CCO MCULE-9178944336 [0,1,0,0,0,1|1,0,0]=3 129 B12R0.547 O=S(=O)([O-])CCN(CCO)CCO MCULE-5771124576 [0,1,0,0,0,1|1,0,1]=4 130 B12R0.41 CC(O)CN(CC(C)O)CC(C)O MCULE-3562428581 [0,2,0,0,0,0|1,0,1]=4 131 B12R0.41 O=C(O)CN(CC(=O)O)CC(=O)O MCULE-5696288379 [0,2,0,0,0,0|0,0,2]=4 132 B12R0.242 C#CCCN(CC(=O)O)CC(=O)O MCULE-1971358229 [0,2,0,0,0,0|1,0,1]=4 133 B12R0.242 NOCCN(CC(=O)O)CC(=O)O MCULE-7586416914 [0,2,0,0,0,0|0,0,1]=3 134 B12R0.242 NOCCN(CC(=O)O)CC(=O)O MCULE-8985054350 [0,2,0,0,0,0|0,0,1]=3 135 B12R0.22 CCCN(CCC)CC(=O)OCC MCULE-6059981758 [0,2,0,0,0,0|2,0,0]=4 136 B10R1.10 CC1CN(CCO1)CCO MCULE-9558251373 [1,0,0,1,0,0|1,0,1]=4 137 B10R1.10 NCCN1CCNC(=O)C1 MCULE-8111198516 [1,0,0,1,0,0|2,0,0]=4 138 B10R1.10 O=C1CN(CCN1)CCO MCULE-8153594276 [1,0,0,1,0,0|1,0,0]=3 139 B10R1.18 C=C(Br)CN1CCOCC1 MCULE-5686361785 [1,0,0,1,0,0|2,0,0]=4 140 B10R1.18 C=C(Br)CN1CCOCC1 MCULE-5694887102 [1,0,0,1,0,0|2,0,0]=4 141 B10R1.18 CC(=O)CC1CCOCC1 MCULE-6845890561 [1,0,0,1,0,0|2,0,0]=4 142 B10R1.18 CC(=O)CN1CCCCC1 MCULE-2519145455 [1,0,0,1,0,0|2,0,0]=4 143 B10R1.18 CC(=O)CN1CCCCC1 MCULE-8358959341 [1,0,0,1,0,0|2,0,0]=4 144 B10R1.18 CC(=O)CN1CCNCC1 MCULE-1332138521 [1,0,0,1,0,0|2,0,0]=4 145 B10R1.18 CC(=O)CN1CCNCC1 MCULE-9865179801 [1,0,0,1,0,0|2,0,0]=4 146 B10R1.18 CC(=O)CN1CCOCC1 MCULE-8273041201 [1,0,0,1,0,0|1,0,0]=3 147 B10R1.18 CC(O)CN1CCOCC1 MCULE-6250239208 [1,0,0,1,0,0|1,0,1]=4 148 B10R1.18 N=C(N)CN1CCOCC1 MCULE-2793241641 [1,0,0,1,0,0|2,0,0]=4 149 B10R1.18 N=C(N)CN1CCOCC1 MCULE-4715070332 [1,0,0,1,0,0|2,0,0]=4 150 B10R1.18 NC(=O)CC1CCOCC1 MCULE-6220113088 [1,0,0,1,0,0|2,0,0]=4 151 B10R1.18 NC(=O)CN1CCCCC1 MCULE-5267943459 [1,0,0,1,0,0|2,0,0]=4 152 B10R1.18 NC(=O)CN1CCNCC1 MCULE-6461649697 [1,0,0,1,0,0|2,0,0]=4 153 B10R1.18 NC(=O)CN1CCNCC1 MCULE-8801345143 [1,0,0,1,0,0|2,0,0]=4 154 B10R1.18 NC(=O)CN1CCNCC1 MCULE-9918766710 [1,0,0,1,0,0|2,0,0]=4 155 B10R1.18 NC(=O)CN1CCOCC1 MCULE-3991718253 [1,0,0,1,0,0|1,0,0]=3 156 B10R1.18 NC(=O)CN1CCSCC1 MCULE-5201971784 [1,0,0,1,0,0|1,1,0]=4 157 B10R1.18 NC(=S)CN1CCOCC1 MCULE-6537578900 [1,0,0,1,0,0|1,1,0]=4 158 B10R1.18 O=C(Cl)CC1CCOCC1 MCULE-6068907888 [1,0,0,1,0,0|2,0,0]=4 159 B10R1.18 O=C(O)C=C1CCOCC1 MCULE-2596143817 [1,0,0,1,0,0|1,0,1]=4 160 B10R1.18 O=C(O)CC1=CCOCC1 MCULE-9800538477 [1,0,0,1,0,0|1,0,1]=4 161 B10R1.18 O=C(O)CC1CCCCC1 MCULE-3370925166 [1,0,0,1,0,0|2,0,0]=4 162 B10R1.18 O=C(O)CC1CCCOC1 MCULE-5877605158 [1,0,0,1,0,0|2,0,0]=4 163 B10R1.18 O=C(O)CC1CCNCC1 MCULE-1130327966 [1,0,0,1,0,0|2,0,0]=4 164 B10R1.18 O=C(O)CC1CCNCC1 MCULE-2100213856 [1,0,0,1,0,0|2,0,0]=4 165 B10R1.18 O=C(O)CC1CCOCC1 MCULE-7878329119 [1,0,0,1,0,0|1,0,0]=3 166 B10R1.18 O=C(O)CC1CCSCC1 MCULE-3567762107 [1,0,0,1,0,0|1,1,0]=4 167 B10R1.18 O=C(O)CN1CCCCC1 MCULE-9137136186 [1,0,0,1,0,0|1,0,0]=3 168 B10R1.18 O=C(O)CN1CCCCC1 MCULE-9769416161 [1,0,0,1,0,0|1,0,0]=3 169 B10R1.18 O=C(O)CN1CCNCC1 MCULE-4945447446 [1,0,0,1,0,0|1,0,0]=3 170 B10R1.18 O=C(O)CN1CCNCC1 MCULE-6990903527 [1,0,0,1,0,0|1,0,0]=3 171 B10R1.18 O=C(O)CN1CCNCC1 MCULE-8811795576 [1,0,0,1,0,0|1,0,0]=3 172 B10R1.18 O=C(O)CN1CCOCC1 MCULE-2955270234 [1,0,0,1,0,0|0,0,0]=2 173 B10R1.18 O=C(O)CN1CCOCC1 MCULE-5710414541 [1,0,0,1,0,0|0,0,0]=2 174 B10R1.18 O=C(O)CN1CCSCC1 MCULE-9107067895 [1,0,0,1,0,0|0,1,0]=3 175 B10R1.18 O=C(O)CN1CCSCC1 MCULE-9299535292 [1,0,0,1,0,0|0,1,0]=3 176 B10R1.18 O=P(O)CN1CCCCC1 MCULE-5899780033 [1,0,0,1,0,0|2,0,0]=4 177 B10R1.18 OC(O)CN1CCOCC1 MCULE-6836134327 [1,0,0,1,0,0|0,0,2]=4 178 B10R1.18 OC(O)CN1CCOCC1 MCULE-8993003944 [1,0,0,1,0,0|0,0,2]=4 179 B10R1.39 CCC1CCCC1C(=O)O MCULE-2134315765 [1,0,0,1,0,0|2,0,0]=4 180 B10R1.39 CCC1CCNC1C(=O)O MCULE-1392850907 [1,0,0,1,0,0|2,0,0]=4 181 B10R1.39 CCC1CCNC1C(=O)O MCULE-2618729884 [1,0,0,1,0,0|2,0,0]=4 182 B10R1.39 CCN1CCCC1C(=O)O MCULE-9170639085 [1,0,0,1,0,0|1,0,0]=3 183 B10R1.39 CCN1CCC[C@@H]1C(=O)N MCULE-2931781805 [1,0,0,1,0,0|2,0,0]=4 184 B10R1.39 CCN1CCC[C@@H]1C(=O)O MCULE-6272401541 [1,0,0,1,0,0|1,0,0]=3 185 B10R1.39 CCN1CCC[C@H]1C(=O)N MCULE-7196500635 [1,0,0,1,0,0|2,0,0]=4 186 B10R1.39 CCN1CCC[C@H]1C(=O)N MCULE-8340783541 [1,0,0,1,0,0|2,0,0]=4 187 B10R1.39 CCN1CCC[C@H]1C(=O)O MCULE-4672768595 [1,0,0,1,0,0|1,0,0]=3 188 B10R1.39 CCN1CCC[C@H]1C(=O)O MCULE-5066096497 [1,0,0,1,0,0|1,0,0]=3 189 B10R1.54 CC1CCC(C1)CC(=O)O MCULE-2712956835 [1,0,0,1,0,0|2,0,0]=4 190 B10R1.54 CC1CCN(C1)CC(=O)O MCULE-1407049911 [1,0,0,1,0,0|1,0,0]=3 191 B10R1.54 CC1CCN(C1)CC(=O)O MCULE-9097138381 [1,0,0,1,0,0|1,0,0]=3 192 B10R1.54 NC1CCN(C1)CC(=O)O MCULE-5943171118 [1,0,0,1,0,0|1,0,0]=3 193 B10R1.54 NC1CCN(C1)CC(=O)O MCULE-9229773679 [1,0,0,1,0,0|1,0,0]=3 194 B10R1.54 N[C@@H]1CCN(C1)CC(=O)O MCULE-2161728364 [1,0,0,1,0,0|1,0,0]=3 195 B10R1.54 N[C@@H]1CCN(C1)CC(=O)O MCULE-8593996404 [1,0,0,1,0,0|1,0,0]=3 196 B10R1.54 N[C@@H]1CCN(C1)CC(=O)O MCULE-8985734275 [1,0,0,1,0,0|1,0,0]=3 197 B10R1.54 N[C@H]1CCN(C1)CC(=O)O MCULE-1503909439 [1,0,0,1,0,0|1,0,0]=3 198 B10R1.54 N[C@H]1CCN(C1)CC(=O)O MCULE-6977922157 [1,0,0,1,0,0|1,0,0]=3 199 B10R1.54 O=C(O)CC1CC(CN1)O MCULE-7161298106 [1,0,0,1,0,0|2,0,0]=4 200 B10R1.54 O=C(O)CC1CC(CN1)O MCULE-8476180516 [1,0,0,1,0,0|2,0,0]=4 201 B10R1.54 O=C(O)CC1CCC(C1)O MCULE-1306554926 [1,0,0,1,0,0|1,0,0]=3 202 B10R1.54 O=C(O)CN1CCC(=O)C1 MCULE-1558139461 [1,0,0,1,0,0|0,0,2]=4 203 B10R1.54 O=C(O)CN1CCC(=O)C1 MCULE-6202445610 [1,0,0,1,0,0|0,0,2]=4 204 B10R1.54 O=C(O)CN1CCC(C1)Br MCULE-3288536521 [1,0,0,1,0,0|1,0,0]=3 205 B10R1.54 O=C(O)CN1CCC(C1)Cl MCULE-1930405641 [1,0,0,1,0,0|1,0,0]=3 206 B10R1.54 O=C(O)CN1CCC(C1)I MCULE-4537982496 [1,0,0,1,0,0|1,0,0]=3 207 B10R1.54 O=C(O)CN1CCC(C1)O MCULE-7707471649 [1,0,0,1,0,0|0,0,0]=2 208 B10R1.54 O=C(O)CN1CCC(C1)O MCULE-8936002282 [1,0,0,1,0,0|0,0,0]=2 209 B10R1.54 O=C(O)CN1CC[C@@H](C1)O MCULE-1249814394 [1,0,0,1,0,0|0,0,0]=2 210 B10R1.54 O=C(O)CN1CC[C@@H](C1)O MCULE-2140738871 [1,0,0,1,0,0|0,0,0]=2 211 B10R1.54 O=C(O)CN1CC[C@H](C1)O MCULE-4416769889 [1,0,0,1,0,0|0,0,0]=2 212 B10R1.54 O=C(O)CN1CC[C@H](C1)O MCULE-4926367147 [1,0,0,1,0,0|0,0,0]=2 213 B10R1.54 O=C(O)C[C@@H]1CC(CN1)O MCULE-5520496479 [1,0,0,1,0,0|2,0,0]=4 214 B10R1.54 O=C(O)C[C@@H]1CC(CN1)O MCULE-9606256613 [1,0,0,1,0,0|2,0,0]=4 215 B10R1.54 O=C(O)C[C@@H]1CC[C@@H](C1)O MCULE-2394601749 [1,0,0,1,0,0|1,0,0]=3 216 B10R1.54 O=C(O)C[C@@H]1C[C@H](CN1)O MCULE-1516021519 [1,0,0,1,0,0|2,0,0]=4 217 B10R1.54 O=C(O)C[C@@H]1C[C@H](CN1)O MCULE-4246846585 [1,0,0,1,0,0|2,0,0]=4 218 B10R1.54 O=C(O)C[C@@H]1C[C@H](CN1)O MCULE-5090681884 [1,0,0,1,0,0|2,0,0]=4 219 B10R1.54 O=C(O)C[C@@H]1C[C@H](CN1)O MCULE-6554402545 [1,0,0,1,0,0|2,0,0]=4 220 B10R1.54 O=C(O)C[C@@H]1C[C@H](CN1)O MCULE-8720083389 [1,0,0,1,0,0|2,0,0]=4 221 B10R1.54 O=C(O)C[C@@H]1C[C@H](CN1)O MCULE-9359661762 [1,0,0,1,0,0|2,0,0]=4 222 B10R1.64 CC(=O)CN1CCCC1C MCULE-5489343795 [1,0,0,1,0,0|2,0,0]=4 223 B10R1.64 CC1CCCC1CC(=O)O MCULE-1034129697 [1,0,0,1,0,0|2,0,0]=4 224 B10R1.64 CC1CCCN1CC(=O)O MCULE-5477147476 [1,0,0,1,0,0|1,0,0]=3 225 B10R1.64 CC1CCCN1CC(=O)O MCULE-7787437864 [1,0,0,1,0,0|1,0,0]=3 226 B10R1.64 CC1OCCC1CC(=O)O MCULE-3630286814 [1,0,0,1,0,0|1,0,0]=3 227 B10R1.64 O=C(O)CN1CCOC1=O MCULE-4152481351 [1,0,0,1,0,0|0,0,2]=4 228 B10R1.86 C1(CCN1CCC)C(=O)O MCULE-6068820697 [1,0,0,1,0,0|1,0,0]=3 229 B10R1.86 C1(CCN1CCF)C(=O)O MCULE-2135962737 [1,0,0,1,0,0|1,0,0]=3 230 B10R1.86 CCCN1CCC1C(=O)O MCULE-3134623791 [1,0,0,1,0,0|1,0,0]=3 231 B10R1.86 CCCN1CC[C@H]1C(=O)O MCULE-3091851598 [1,0,0,1,0,0|1,0,0]=3 232 B10R1.86 CCCN1CC[C@H]1C(=O)O MCULE-5611349990 [1,0,0,1,0,0|1,0,0]=3 233 B10R1.86 O=C(O)[C@@H]1CCN1CCF MCULE-3445864469 [1,0,0,1,0,0|1,0,0]=3 234 B10R1.86 [C@H]1(CCN1CCF)C(=O)O MCULE-3345473633 [1,0,0,1,0,0|1,0,0]=3 235 B10R1.227 CCC1(CCC1)CC(=O)O MCULE-2720340822 [1,0,0,1,0,0|2,0,0]=4 236 B10R1.374 CCC(CC(=O)O)C1CC1 MCULE-4126818812 [1,0,0,1,0,0|2,0,0]=4 237 B10R1.374 CCN(CC(=O)O)C1CC1 MCULE-1241341797 [1,0,0,1,0,0|1,0,0]=3 238 B10R1.85 OCCN1CCCOCC1 MCULE-4467451576 [1,0,0,1,0,0|1,0,1]=4 239 B10R1.4 NCCN1CCCOC1=O MCULE-4521838716 [0,0,0,1,1,0|2,0,0]=4 240 B10R1.4 NCCN1CCCOC1=O MCULE-9880721224 [0,0,0,1,1,0|2,0,0]=4 241 B10R1.4 NCCN1CCOCC1=O MCULE-7352662437 [0,0,0,1,1,0|2,0,0]=4 242 B10R1.4 NCCN1CCOCC1=O MCULE-9332180255 [0,0,0,1,1,0|2,0,0]=4 243 B10R1.4 O=C1CCCCN1CCO MCULE-2557885455 [0,0,0,1,1,0|2,0,0]=4 244 B10R1.4 O=C1CNCCN1CCO MCULE-2349998126 [0,0,0,1,1,0|2,0,0]=4 245 B10R1.4 O=C1CNCCN1CCO MCULE-9921265864 [0,0,0,1,1,0|2,0,0]=4 246 B10R1.4 O=C1COCCN1CCBr MCULE-6594029244 [0,0,0,1,1,0|2,0,0]=4 247 B10R1.4 O=C1COCCN1CCCl MCULE-5579772891 [0,0,0,1,1,0|2,0,0]=4 248 B10R1.4 O=C1COCCN1CCO MCULE-6327231179 [0,0,0,1,1,0|1,0,0]=3 249 B10R1.58 N[C@@H]1C[C@@H](C[C@H]1O)C(=O)O MCULE-2019095795 [0,0,0,1,1,0|2,0,0]=4 250 B10R1.58 N[C@@H]1C[C@@H](C[C@H]1O)C(=O)O MCULE-7012514700 [0,0,0,1,1,0|2,0,0]=4 251 B10R1.113 CC(=O)N1CCCC(C1)O MCULE-4557043332 [0,0,0,1,1,0|2,0,0]=4 252 B10R1.113 CC(=O)N1CCC[C@@H](C1)O MCULE-1777848146 [0,0,0,1,1,0|2,0,0]=4 253 B10R1.113 CC(=O)N1CCC[C@@H](C1)O MCULE-5198604448 [0,0,0,1,1,0|2,0,0]=4 254 B10R1.113 CC(=O)N1CCC[C@H](C1)O MCULE-4329362874 [0,0,0,1,1,0|2,0,0]=4 255 B10R1.113 CC(=O)N1CCC[C@H](C1)O MCULE-8344466566 [0,0,0,1,1,0|2,0,0]=4 256 B10R1.113 CC1CC(CCO1)C(=O)O MCULE-8051149188 [0,0,0,1,1,0|2,0,0]=4 257 B10R1.113 O=C(O)C1CCCC(C1)O MCULE-9068909742 [0,0,0,1,1,0|2,0,0]=4 258 B10R1.113 O=C(O)[C@@H]1CCC[C@@H](C1)O MCULE-1509835362 [0,0,0,1,1,0|2,0,0]=4 259 B10R1.113 O=C(O)[C@@H]1CCC[C@@H](C1)O MCULE-2282540668 [0,0,0,1,1,0|2,0,0]=4 260 B10R1.113 O=C(O)[C@@H]1CCC[C@H](C1)O MCULE-2678948022 [0,0,0,1,1,0|2,0,0]=4 261 B10R1.113 O=C(O)[C@@H]1CCC[C@H](C1)O MCULE-6048774329 [0,0,0,1,1,0|2,0,0]=4 262 B10R1.113 O=C(O)[C@H]1CCC[C@@H](C1)O MCULE-1308626340 [0,0,0,1,1,0|2,0,0]=4 263 B10R1.113 O=C(O)[C@H]1CCC[C@@H](C1)O MCULE-5789638591 [0,0,0,1,1,0|2,0,0]=4 264 B10R1.113 O=C(O)[C@H]1CCC[C@H](C1)O MCULE-3370494896 [0,0,0,1,1,0|2,0,0]=4 265 B10R1.113 O=C(O)[C@H]1CCC[C@H](C1)O MCULE-3728932412 [0,0,0,1,1,0|2,0,0]=4 266 B10R1.348 O=C(O)C1CCCOCC1 MCULE-9318516869 [0,0,0,1,1,0|2,0,0]=4 267 B12R1.226 CC1CCCN(C1)CCC(=O)O MCULE-1932078578 [0,0,0,1,0,1|2,0,0]=4 268 B12R1.226 CC1CCCN(C1)CCC(=O)O MCULE-5507374908 [0,0,0,1,0,1|2,0,0]=4 269 B12R1.279 CCCN1CCCC(C1)C(=O)O MCULE-7817334936 [0,0,0,1,0,1|2,0,0]=4 270 B12R1.279 CCCN1CCCC(C1)C(=O)O MCULE-9739658494 [0,0,0,1,0,1|2,0,0]=4 271 B12R1.279 O=C(O)C1CCCN(C1)CCO MCULE-3946447960 [0,0,0,1,0,1|1,0,0]=3 272 B12R1.1343 O=C(O)CCN1CCCCCC1 MCULE-6902441701 [0,0,0,1,0,1|2,0,0]=4 273 B12R1.1343 O=C(O)CCN1CCCCCC1 MCULE-8652213601 [0,0,0,1,0,1|2,0,0]=4 274 B12R1.101 CC1CC(CC(O1)C)CC(=O)O MCULE-8495492526 [0,1,0,1,0,0|2,0,0]=4 275 B12R1.101 CC1CC(CN(C1)CC(=O)O)C MCULE-2538801181 [0,1,0,1,0,0|2,0,0]=4 276 B12R1.101 CC1CC(CN(C1)CC(=O)O)C MCULE-5326748867 [0,1,0,1,0,0|2,0,0]=4 277 B12R1.101 CC1CN(CC(O1)C)CC(=O)N MCULE-9879723410 [0,1,0,1,0,0|2,0,0]=4 278 B12R1.101 CC1CN(CC(O1)C)CC(=O)O MCULE-4920455027 [0,1,0,1,0,0|1,0,0]=3 279 B12R1.101 CC1CN(CC(O1)C)CC(=O)O MCULE-8382703968 [0,1,0,1,0,0|1,0,0]=3 280 B12R1.101 C[C@H]1CN(C[C@H](O1)C)CC(=O)O MCULE-8623250757 [0,1,0,1,0,0|1,0,0]=3 281 B12R1.392 CC(C)CN1CCCC1C(=O)O MCULE-4228889336 [0,1,0,1,0,0|2,0,0]=4 282 B12R1.392 CC(C)CN1CCC[C@H]1C(=O)O MCULE-2363163465 [0,1,0,1,0,0|2,0,0]=4 283 B12R1.392 CC(C)CN1CCC[C@H]1C(=O)O MCULE-2594145267 [0,1,0,1,0,0|2,0,0]=4 284 B12R1.392 CC(O)CN1CCC[C@H]1C(=O)O MCULE-1519984794 [0,1,0,1,0,0|1,0,0]=3 285 B12R1.392 O=C(O)C1CCCN1CC(F)F MCULE-7517429490 [0,1,0,1,0,0|2,0,0]=4 286 B12R1.392 O=C(O)CN1CCCC1C(=O)O MCULE-3986378820 [0,1,0,1,0,0|1,0,1]=4 287 B12R1.1821 CC1(CC(CCO1)CC(=O)O)C MCULE-3148966239 [0,1,0,1,0,0|2,0,0]=4 288 B12R1.1821 O=C(O)CN1CCCC(C1)(F)F MCULE-6708528253 [0,1,0,1,0,0|2,0,0]=4 289 B12R1.75 CCC1CCCCN1CC(=O)O MCULE-1466936975 [0,1,0,1,0,0|2,0,0]=4 290 B12R1.75 CCC1CCCCN1CC(=O)O MCULE-4786692834 [0,1,0,1,0,0|2,0,0]=4 291 B12R1.75 O=C(O)CN1CCCCC1CBr MCULE-4745302069 [0,1,0,1,0,0|2,0,0]=4 292 B12R1.75 O=C(O)CN1CCCCC1CCl MCULE-1771575283 [0,1,0,1,0,0|2,0,0]=4 293 B12R1.75 O=C(O)CN1CCCCC1CI MCULE-1312726912 [0,1,0,1,0,0|2,0,0]=4 294 B12R1.75 O=C(O)CN1CCCCC1CO MCULE-9904924658 [0,1,0,1,0,0|1,0,0]=3 295 B12R1.19 CC1CN(CCN1C)CC(=O)O MCULE-7580424830 [0,1,0,1,0,0|2,0,0]=4 296 B12R1.41 CC1CN(CC(O1)CO)CCO MCULE-1898746006 [0,1,0,1,0,0|1,0,1]=4 297 B12R1.283 CCCN1CCCCC1C(=O)O MCULE-1283308328 [0,1,0,1,0,0|2,0,0]=4 298 B12R1.283 CCCN1CCCCC1C(=O)O MCULE-5666620583 [0,1,0,1,0,0|2,0,0]=4 299 B12R1.283 CCCN1CCNCC1C(=O)O MCULE-8138651228 [0,1,0,1,0,0|2,0,0]=4 300 B12R1.386 COCCN1CSCC1C(=O)O MCULE-2549882838 [0,1,0,1,0,0|2,0,0]=4 301 B12R1.386 N#CCCN1CCCC1C(=O)O MCULE-6379867176 [0,1,0,1,0,0|2,0,0]=4 302 B12R1.386 N#CCCN1CCC[C@H]1C(=O)O MCULE-7540836002 [0,1,0,1,0,0|2,0,0]=4 303 B12R1.438 CCC1CC(CCO1)CC(=O)O MCULE-1533632681 [0,1,0,1,0,0|2,0,0]=4 304 B12R1.438 COC1CCCC(C1)CC(=O)O MCULE-9301642131 [0,1,0,1,0,0|2,0,0]=4 305 B12R1.438 COC1CCCN(C1)CC(=O)O MCULE-8425591467 [0,1,0,1,0,0|1,0,0]=3 306 B12R1.438 O=C(O)CN1CCCC(C1)CBr MCULE-6873714063 [0,1,0,1,0,0|2,0,0]=4 307 B12R1.438 O=C(O)CN1CCCC(C1)CCl MCULE-7630589107 [0,1,0,1,0,0|2,0,0]=4 308 B12R1.438 O=C(O)CN1CCCC(C1)CI MCULE-5847096454 [0,1,0,1,0,0|2,0,0]=4 309 B12R1.438 O=C(O)CN1CCCC(C1)CO MCULE-9181009444 [0,1,0,1,0,0|1,0,0]=3 310 B12R1.1392 O=C(O)CN1CCCCCCC1 MCULE-5706680135 [0,1,0,1,0,0|2,0,0]=4 311 B12R1.225 CC1CCCN(C1)C(C)C(=O)O MCULE-4406041140 [0,1,0,1,0,0|2,0,0]=4 312 B12R1.2197 CC(C(=O)O)N1CCCCCC1 MCULE-2902696136 [0,1,0,1,0,0|2,0,0]=4 313 B12R1.2197 CC(C(=O)O)N1CCCCCC1 MCULE-9930977486 [0,1,0,1,0,0|2,0,0]=4 314 B12R1.50 COC(=O)CC1CCCC(C1)O MCULE-4558889415 [0,1,0,1,0,0|2,0,0]=4 315 B12R1.50 COC(=O)CN1CCCC(C1)N MCULE-8134233660 [0,1,0,1,0,0|2,0,0]=4 316 B12R1.50 COC(=O)CN1CCCC(C1)N MCULE-9646405498 [0,1,0,1,0,0|2,0,0]=4 317 B12R1.50 COC(=O)CN1CCCC(C1)O MCULE-8015730537 [0,1,0,1,0,0|1,0,0]=3 318 B12R1.1748 COC(=O)CN1CCCNCC1 MCULE-2302704687 [0,1,0,1,0,0|2,0,0]=4 319 B12R1.1748 COC(=O)CN1CCCNCC1 MCULE-2502781833 [0,1,0,1,0,0|2,0,0]=4 320 B12R2.1367 O=C(O)CN1C2CCC1CC2 MCULE-1481808214 [0,0,0,2,0,0|2,0,0]=4 321 B12R2.1661 O=C(O)CC1CC2CCC1O2 MCULE-4541461263 [0,0,0,2,0,0|2,0,0]=4 322 B12R2.1661 O=C(O)CN1CC2CCC1C2 MCULE-2270425781 [0,0,0,2,0,0|2,0,0]=4 323 B12R2.1661 O=C(O)CN1CC2CCC1C2 MCULE-6766378440 [0,0,0,2,0,0|2,0,0]=4 324 B12R2.1661 [C@H]12CC[C@H](C1)CN2CC(=O)O MCULE-7434841215 [0,0,0,2,0,0|2,0,0]=4 325 B12R2.3066 O=C(O)C12CCCN1CCC2 MCULE-7282574305 [0,0,0,2,0,0|2,0,0]=4 326 B12R2.3066 O=C(O)C12CCCN1CCC2 MCULE-8263210655 [0,0,0,2,0,0|2,0,0]=4 327 B8R0.15 CCC(CCN)C(=O)O MCULE-3540595708 [1,0,0,0,1,0|2,0,0]=4 328 B8R0.15 CCC(CCN)C(=O)O MCULE-6369668711 [1,0,0,0,1,0|2,0,0]=4 329 B8R0.15 CCCC(CC)C(=O)O MCULE-2070546888 [1,0,0,0,1,0|2,0,0]=4 330 B8R0.15 CCCC(CO)C(=O)O MCULE-2653026260 [1,0,0,0,1,0|2,0,0]=4 331 B8R0.15 CCC[C@H](CO)C(=O)O MCULE-1805025355 [1,0,0,0,1,0|2,0,0]=4 332 B8R0.15 CCC[C@H](CO)C(=O)O MCULE-3449491143 [1,0,0,0,1,0|2,0,0]=4 333 B8R0.15 CN[C@@H](CCO)C(=O)O MCULE-4209872941 [1,0,0,0,1,0|2,0,0]=4 334 B8R0.15 CN[C@@H](CCO)C(=O)O MCULE-7202916887 [1,0,0,0,1,0|2,0,0]=4 335 B8R0.15 CN[C@H](CCO)C(=O)O MCULE-1874728709 [1,0,0,0,1,0|2,0,0]=4 336 B8R0.15 CN[C@H](CCO)C(=O)O MCULE-3716592032 [1,0,0,0,1,0|2,0,0]=4 337 B12R0.164 CC(=O)CCCN(CCO)CCO MCULE-1600845670 [0,0,0,0,0,2|1,0,0]=3 338 B12R0.164 CCCN(CCC)CCCC(=O)O MCULE-2300140347 [0,0,0,0,0,2|2,0,0]=4 339 B12R0.164 CCCN(CCC)CCCC(=O)O MCULE-2905306387 [0,0,0,0,0,2|2,0,0]=4