0 B13R1.5773 CCC(C(=O)O)C1(CCCCC1)O MCULE-3334513103 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.478 CCC(=C1CCCCC1)C(=O)O MCULE-9911311520 [1,0,0,0,0,0|0,0,2]=3 2 B12R1.478 CCC(C(=O)N)C1=CCCCC1 MCULE-4352828599 [1,0,0,0,0,0|1,0,2]=4 3 B12R1.478 CCC(C(=O)O)C1=CCCCC1 MCULE-8045534685 [1,0,0,0,0,0|0,0,2]=3 4 B12R1.478 CCC(C(=O)O)C1CCCCC1 MCULE-4623551759 [1,0,0,0,0,0|0,0,0]=1 5 B12R1.478 CCC(C(=O)O)C1CCNCC1 MCULE-2702141761 [1,0,0,0,0,0|1,0,0]=2 6 B12R1.478 CCC(C(=O)O)C1CCNCC1 MCULE-4938530329 [1,0,0,0,0,0|1,0,0]=2 7 B12R1.478 CCC(C(=O)O)C1CCOCC1 MCULE-7358542123 [1,0,0,0,0,0|1,0,0]=2 8 B12R1.478 CCC(C(=O)O)N1CCCCC1 MCULE-7163390837 [1,0,0,0,0,0|1,0,0]=2 9 B12R1.478 CCC(C(=O)O)N1CCCCC1 MCULE-7454277150 [1,0,0,0,0,0|1,0,0]=2 10 B12R1.478 CCC(C(=O)O)N1CCNCC1 MCULE-2497849402 [1,0,0,0,0,0|2,0,0]=3 11 B12R1.478 CCC(C(=O)O)N1CCNCC1 MCULE-3977474559 [1,0,0,0,0,0|2,0,0]=3 12 B12R1.478 CCC(C(=O)O)N1CCOCC1 MCULE-6481707136 [1,0,0,0,0,0|2,0,0]=3 13 B12R1.478 CCC(C(=O)O)N1CCOCC1 MCULE-7654814173 [1,0,0,0,0,0|2,0,0]=3 14 B12R1.478 CCN(C(=O)C)C1CCCNC1 MCULE-4182366760 [1,0,0,0,0,0|3,0,0]=4 15 B12R1.478 CCN(C(=O)C)C1CCCNC1 MCULE-9674111074 [1,0,0,0,0,0|3,0,0]=4 16 B12R1.478 CCN(C(=O)C)C1CCNCC1 MCULE-5375198710 [1,0,0,0,0,0|3,0,0]=4 17 B12R1.478 CCN(C(=O)C)C1CCNCC1 MCULE-9471486326 [1,0,0,0,0,0|3,0,0]=4 18 B12R1.478 CCN(C(=O)C)[C@@H]1CCCNC1 MCULE-1395578479 [1,0,0,0,0,0|3,0,0]=4 19 B12R1.478 CCN(C(=O)C)[C@@H]1CCCNC1 MCULE-2561509026 [1,0,0,0,0,0|3,0,0]=4 20 B12R1.478 CCN(C(=O)C)[C@H]1CCCNC1 MCULE-3822381326 [1,0,0,0,0,0|3,0,0]=4 21 B12R1.478 CCN(C(=O)C)[C@H]1CCCNC1 MCULE-5516198051 [1,0,0,0,0,0|3,0,0]=4 22 B12R1.478 CCN(C(=S)N)C1CCCCC1 MCULE-2888077180 [1,0,0,0,0,0|2,1,0]=4 23 B12R1.478 CCN(C(=S)S)C1CCCCC1 MCULE-6154912013 [1,0,0,0,0,0|1,2,0]=4 24 B12R1.478 CCN(C(=S)[S-])C1CCCCC1 MCULE-2182695997 [1,0,0,0,0,0|1,2,0]=4 25 B12R1.478 CNC(C(=O)O)C1CCCCC1 MCULE-2663893110 [1,0,0,0,0,0|1,0,0]=2 26 B12R1.478 COC(C(=O)O)C1CCCCC1 MCULE-1716352317 [1,0,0,0,0,0|1,0,0]=2 27 B12R1.478 COC(C(=O)O)C1CCCOC1 MCULE-3896160435 [1,0,0,0,0,0|2,0,0]=3 28 B12R1.478 COC(C(=O)O)C1CCOCC1 MCULE-1807450595 [1,0,0,0,0,0|2,0,0]=3 29 B12R1.478 CO[C@H](C(=O)O)C1CCOCC1 MCULE-5641444592 [1,0,0,0,0,0|2,0,0]=3 30 B12R1.478 NCC(C(=O)N)N1CCCCC1 MCULE-1633098590 [1,0,0,0,0,0|3,0,0]=4 31 B12R1.478 NCC(C(=O)O)C1CCCCC1 MCULE-1663437445 [1,0,0,0,0,0|1,0,0]=2 32 B12R1.478 NCC(C(=O)O)C1CCOCC1 MCULE-6928043811 [1,0,0,0,0,0|2,0,0]=3 33 B12R1.478 NCC(C(=O)O)C1CCOCC1 MCULE-9362433747 [1,0,0,0,0,0|2,0,0]=3 34 B12R1.478 NCC(C(=O)O)N1CCCCC1 MCULE-5988731024 [1,0,0,0,0,0|2,0,0]=3 35 B12R1.478 NCC(C(=O)O)N1CCOCC1 MCULE-2133844881 [1,0,0,0,0,0|3,0,0]=4 36 B12R1.2206 CC1(CCCCC1)C(N)C(=O)O MCULE-2644000632 [1,0,0,0,0,0|2,0,0]=3 37 B12R1.2206 CC1(CCCCC1)C(N)C(=O)O MCULE-4411912767 [1,0,0,0,0,0|2,0,0]=3 38 B14R2.55 O=C(O)C1CCCC12CCOCC2 MCULE-4397676381 [0,0,0,1,0,0|2,0,0]=3 39 B14R2.55 O=C(O)C1CNCC12CCCCC2 MCULE-5270576699 [0,0,0,1,0,0|2,0,0]=3 40 B14R2.55 O=C(O)C1CNCC12CCCCC2 MCULE-5423593208 [0,0,0,1,0,0|2,0,0]=3 41 B14R2.55 O=C(O)C1CNCC12CCOCC2 MCULE-7837470587 [0,0,0,1,0,0|3,0,0]=4 42 B14R2.3480 NCC1(CC12CCCCC2)C(=O)O MCULE-1600989682 [0,0,0,1,0,0|2,0,0]=3 43 B14R2.3480 NCC1(CC12CCOCC2)C(=O)O MCULE-9999309181 [0,0,0,1,0,0|3,0,0]=4 44 B14R2.62542 O=C(O)C1(CC1)C2(CCOCC2)O MCULE-4822291052 [0,0,0,1,0,0|1,0,0]=2 45 B11R0.76 CCCCCCC(CC)C(=O)O MCULE-6377253083 [1,0,1,0,0,0|0,0,0]=2 46 B11R0.76 CCCCCCC(NC)C(=O)O MCULE-7287509088 [1,0,1,0,0,0|1,0,0]=3 47 B11R0.139 CCCCCC(O)C(O)C(=O)O MCULE-3131050684 [1,0,1,0,0,0|1,0,0]=3 48 B11R1.12 COC(C=O)C1CCCCC1 MCULE-4823823476 [2,0,0,0,0,0|1,0,0]=3 49 B11R1.12 COC(C=O)C1CCOCC1 MCULE-6681120146 [2,0,0,0,0,0|2,0,0]=4 50 B11R1.12 COC(CO)C1CCCCC1 MCULE-9738859952 [2,0,0,0,0,0|1,0,1]=4 51 B11R1.12 NCC(CO)C1CCCCC1 MCULE-3722805591 [2,0,0,0,0,0|1,0,1]=4 52 B11R1.12 OCC(CO)C1CCCCC1 MCULE-1482252755 [2,0,0,0,0,0|1,0,1]=4 53 B11R1.36 CC(=C1CCCCC1)C(=O)O MCULE-5916603018 [2,0,0,0,0,0|0,0,2]=4 54 B11R1.36 CC(=O)C(C)C1CCCCC1 MCULE-9060961966 [2,0,0,0,0,0|1,0,0]=3 55 B11R1.36 CC(C(=O)O)C1CCCCC1 MCULE-7073762782 [2,0,0,0,0,0|0,0,0]=2 56 B11R1.36 CC(C(=O)O)C1CCNCC1 MCULE-1056232308 [2,0,0,0,0,0|1,0,0]=3 57 B11R1.36 CC(C(=O)O)C1CCNCC1 MCULE-9936644185 [2,0,0,0,0,0|1,0,0]=3 58 B11R1.36 CC(C(=O)O)C1CCOCC1 MCULE-2495920353 [2,0,0,0,0,0|1,0,0]=3 59 B11R1.36 CC(C(=O)O)N1CCCCC1 MCULE-8781256011 [2,0,0,0,0,0|1,0,0]=3 60 B11R1.36 CC(C(=O)O)N1CCCCC1 MCULE-9082142746 [2,0,0,0,0,0|1,0,0]=3 61 B11R1.36 CC(C(=O)O)N1CCNCC1 MCULE-6010830962 [2,0,0,0,0,0|2,0,0]=4 62 B11R1.36 CC(C(=O)O)N1CCNCC1 MCULE-8464051315 [2,0,0,0,0,0|2,0,0]=4 63 B11R1.36 CC(C(=O)O)N1CCOCC1 MCULE-1520669906 [2,0,0,0,0,0|2,0,0]=4 64 B11R1.36 CC(C(=O)O)N1CCOCC1 MCULE-7353526707 [2,0,0,0,0,0|2,0,0]=4 65 B11R1.36 CC(C(=O)O)N1CCSCC1 MCULE-2059812396 [2,0,0,0,0,0|2,0,0]=4 66 B11R1.36 CN(C(=O)Cl)C1CCCCC1 MCULE-2444398289 [2,0,0,0,0,0|2,0,0]=4 67 B11R1.36 C[C@@H](C(=O)O)C1CCCCC1 MCULE-1380670662 [2,0,0,0,0,0|0,0,0]=2 68 B11R1.36 C[C@@H](C(=O)O)N1CCOCC1 MCULE-4192983391 [2,0,0,0,0,0|2,0,0]=4 69 B11R1.36 C[C@@H](C(=O)O)N1CCOCC1 MCULE-7822882349 [2,0,0,0,0,0|2,0,0]=4 70 B11R1.36 C[C@@H](C(=O)O)N1CCOCC1 MCULE-9325871598 [2,0,0,0,0,0|2,0,0]=4 71 B11R1.36 C[C@@H](C(=O)O)N1CCOCC1 MCULE-9501602403 [2,0,0,0,0,0|2,0,0]=4 72 B11R1.36 C[C@H](C(=O)O)C1CCCCC1 MCULE-6704404403 [2,0,0,0,0,0|0,0,0]=2 73 B11R1.36 C[C@H](C(=O)O)N1CCOCC1 MCULE-2246254781 [2,0,0,0,0,0|2,0,0]=4 74 B11R1.36 C[C@H](C(=O)O)N1CCOCC1 MCULE-7398324122 [2,0,0,0,0,0|2,0,0]=4 75 B11R1.36 NC(=O)C(N)C1CCCCC1 MCULE-4289358018 [2,0,0,0,0,0|2,0,0]=4 76 B11R1.36 NC(C(=O)O)C1CCCCC1 MCULE-1846014205 [2,0,0,0,0,0|1,0,0]=3 77 B11R1.36 NC(C(=O)O)C1CCCCC1 MCULE-2033801873 [2,0,0,0,0,0|1,0,0]=3 78 B11R1.36 NC(C(=O)O)C1CCCCC1 MCULE-4412820367 [2,0,0,0,0,0|1,0,0]=3 79 B11R1.36 NC(C(=O)O)C1CCCCC1 MCULE-6865831162 [2,0,0,0,0,0|1,0,0]=3 80 B11R1.36 NC(C(=O)O)C1CCCCN1 MCULE-4787612648 [2,0,0,0,0,0|2,0,0]=4 81 B11R1.36 NC(C(=O)O)C1CCCCN1 MCULE-7916436523 [2,0,0,0,0,0|2,0,0]=4 82 B11R1.36 NC(C(=O)O)C1CCCNC1 MCULE-5536275038 [2,0,0,0,0,0|2,0,0]=4 83 B11R1.36 NC(C(=O)O)C1CCCOC1 MCULE-6641388094 [2,0,0,0,0,0|2,0,0]=4 84 B11R1.36 NC(C(=O)O)C1CCOCC1 MCULE-3326635011 [2,0,0,0,0,0|2,0,0]=4 85 B11R1.36 NC(C(=O)O)C1CCOCC1 MCULE-5860428330 [2,0,0,0,0,0|2,0,0]=4 86 B11R1.36 NC(C(=O)O)C1CCOCC1 MCULE-9241993616 [2,0,0,0,0,0|2,0,0]=4 87 B11R1.36 N[C@@H](C(=O)O)C1CCCCC1 MCULE-3443210425 [2,0,0,0,0,0|1,0,0]=3 88 B11R1.36 N[C@@H](C(=O)O)C1CCCCC1 MCULE-4731070853 [2,0,0,0,0,0|1,0,0]=3 89 B11R1.36 N[C@@H](C(=O)O)C1CCCCC1 MCULE-6698336499 [2,0,0,0,0,0|1,0,0]=3 90 B11R1.36 N[C@@H](C(=O)O)C1CCCCC1 MCULE-6855404620 [2,0,0,0,0,0|1,0,0]=3 91 B11R1.36 N[C@@H](C(=O)O)C1CCOCC1 MCULE-4067475583 [2,0,0,0,0,0|2,0,0]=4 92 B11R1.36 N[C@@H](C(=O)O)C1CCOCC1 MCULE-4605949678 [2,0,0,0,0,0|2,0,0]=4 93 B11R1.36 N[C@@H](C(=O)O)C1CCOCC1 MCULE-7160845829 [2,0,0,0,0,0|2,0,0]=4 94 B11R1.36 N[C@@H](C(=O)O)C1CCOCC1 MCULE-8127248642 [2,0,0,0,0,0|2,0,0]=4 95 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 MCULE-1545974835 [2,0,0,0,0,0|1,0,0]=3 96 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 MCULE-1933038118 [2,0,0,0,0,0|1,0,0]=3 97 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 MCULE-2164840222 [2,0,0,0,0,0|1,0,0]=3 98 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 MCULE-9858528992 [2,0,0,0,0,0|1,0,0]=3 99 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 MCULE-9914793144 [2,0,0,0,0,0|1,0,0]=3 100 B11R1.36 N[C@H](C(=O)O)C1CCNCC1 MCULE-3998200055 [2,0,0,0,0,0|2,0,0]=4 101 B11R1.36 N[C@H](C(=O)O)C1CCOCC1 MCULE-2693360453 [2,0,0,0,0,0|2,0,0]=4 102 B11R1.36 N[C@H](C(=O)O)C1CCOCC1 MCULE-5518278339 [2,0,0,0,0,0|2,0,0]=4 103 B11R1.36 N[C@H](C(=O)O)C1CCOCC1 MCULE-9024352263 [2,0,0,0,0,0|2,0,0]=4 104 B11R1.36 O=C(O)C(=O)C1CCCCC1 MCULE-8959024132 [2,0,0,0,0,0|1,0,1]=4 105 B11R1.36 O=C(O)C(F)C1CCCCC1 MCULE-1489080540 [2,0,0,0,0,0|1,0,0]=3 106 B11R1.36 O=C(O)C(F)C1CCOCC1 MCULE-4691952590 [2,0,0,0,0,0|2,0,0]=4 107 B11R1.36 O=C(O)C(O)C1CCCCC1 MCULE-1137791149 [2,0,0,0,0,0|1,0,0]=3 108 B11R1.36 O=C(O)C(O)C1CCCNC1 MCULE-1767872209 [2,0,0,0,0,0|2,0,0]=4 109 B11R1.36 O=C(O)C(O)C1CCCNC1 MCULE-6745265789 [2,0,0,0,0,0|2,0,0]=4 110 B11R1.36 O=C(O)C(O)C1CCOCC1 MCULE-5923962415 [2,0,0,0,0,0|2,0,0]=4 111 B11R1.36 O=C(O)[C@@H](O)C1CCCCC1 MCULE-2724503390 [2,0,0,0,0,0|1,0,0]=3 112 B11R1.36 O=C(O)[C@@H](O)C1CCCCC1 MCULE-6659758826 [2,0,0,0,0,0|1,0,0]=3 113 B11R1.36 O=C(O)[C@@H](O)C1CCOCC1 MCULE-6979522096 [2,0,0,0,0,0|2,0,0]=4 114 B11R1.36 O=C(O)[C@H](O)C1CCCCC1 MCULE-2949323528 [2,0,0,0,0,0|1,0,0]=3 115 B11R1.36 O=C(O)[C@H](O)C1CCCCC1 MCULE-3804932181 [2,0,0,0,0,0|1,0,0]=3 116 B11R1.36 [C@@H]1(CCCNC1)C(N)C(=O)O MCULE-6149074850 [2,0,0,0,0,0|2,0,0]=4 117 B11R1.36 [C@@H]1(CCCNC1)[C@@H](N)C(=O)O MCULE-7684614655 [2,0,0,0,0,0|2,0,0]=4 118 B11R1.36 [C@@H]1(CCCNC1)[C@H](N)C(=O)O MCULE-3256486770 [2,0,0,0,0,0|2,0,0]=4 119 B11R1.36 [C@H](N)(C(=O)O)C1CCCCC1 MCULE-2416228483 [2,0,0,0,0,0|1,0,0]=3 120 B11R1.36 [C@H]1(CCCNC1)C(N)C(=O)O MCULE-3096261009 [2,0,0,0,0,0|2,0,0]=4 121 B11R1.36 [C@H]1(CCCNC1)[C@@H](N)C(=O)O MCULE-7922011516 [2,0,0,0,0,0|2,0,0]=4 122 B11R1.36 [C@H]1(CCCNC1)[C@H](N)C(=O)O MCULE-6518139620 [2,0,0,0,0,0|2,0,0]=4 123 B11R1.878 CC(=NO)C1(CCCCC1)O MCULE-2919413764 [2,0,0,0,0,0|1,0,1]=4 124 B11R1.878 COC(=O)C1(CCCCC1)O MCULE-7312981015 [2,0,0,0,0,0|1,0,1]=4 125 B11R1.878 O=C(CO)C1(CCCCC1)O MCULE-4883134314 [2,0,0,0,0,0|1,0,1]=4 126 B11R1.928 CC1(CCCCC1)CC(=O)O MCULE-7882506747 [2,0,0,0,0,0|1,0,0]=3 127 B11R1.928 CC1(CCNCC1)CC(=O)O MCULE-5814680905 [2,0,0,0,0,0|2,0,0]=4 128 B11R1.928 CC1(CCNCC1)CC(=O)O MCULE-6867782906 [2,0,0,0,0,0|2,0,0]=4 129 B11R1.928 CC1(CCOCC1)CC(=O)O MCULE-4326857569 [2,0,0,0,0,0|2,0,0]=4 130 B11R1.928 NC(=O)CC1(CCCCC1)N MCULE-4039201792 [2,0,0,0,0,0|2,0,0]=4 131 B11R1.928 NC(=O)CC1(CCCCC1)N MCULE-4397477502 [2,0,0,0,0,0|2,0,0]=4 132 B11R1.928 NC(=O)CC1(CCOCC1)O MCULE-2274031774 [2,0,0,0,0,0|2,0,0]=4 133 B11R1.928 NC1(CCCCC1)CC(=O)O MCULE-1663310557 [2,0,0,0,0,0|1,0,0]=3 134 B11R1.928 NC1(CCCCC1)CC(=O)O MCULE-2879076377 [2,0,0,0,0,0|1,0,0]=3 135 B11R1.928 NC1(CCCOC1)CC(=O)O MCULE-5652559264 [2,0,0,0,0,0|2,0,0]=4 136 B11R1.928 NC1(CCCOC1)CC(=O)O MCULE-6139247914 [2,0,0,0,0,0|2,0,0]=4 137 B11R1.928 NC1(CCOCC1)CC(=O)O MCULE-1850281708 [2,0,0,0,0,0|2,0,0]=4 138 B11R1.928 NC1(CCOCC1)CC(=O)O MCULE-2706982629 [2,0,0,0,0,0|2,0,0]=4 139 B11R1.928 NC1(CCSCC1)CC(=O)O MCULE-9758860021 [2,0,0,0,0,0|2,0,0]=4 140 B11R1.928 O=C(O)CC1(CCCCC1)O MCULE-3422507323 [2,0,0,0,0,0|0,0,0]=2 141 B11R1.928 O=C(O)CC1(CCCOC1)O MCULE-4776333020 [2,0,0,0,0,0|1,0,0]=3 142 B11R1.928 O=C(O)CC1(CCNCC1)O MCULE-2683625220 [2,0,0,0,0,0|1,0,0]=3 143 B11R1.928 O=C(O)CC1(CCNCC1)O MCULE-8049713319 [2,0,0,0,0,0|1,0,0]=3 144 B11R1.928 O=C(O)CC1(CCOCC1)O MCULE-8349755612 [2,0,0,0,0,0|1,0,0]=3 145 B11R1.928 O=N(=O)CC1(CCCCC1)O MCULE-5459511238 [2,0,0,0,0,0|1,0,1]=4 146 B13R1.405 CCOC(C(=O)O)C1CCOCC1 MCULE-5314621661 [1,1,0,0,0,0|1,0,0]=3 147 B13R1.405 NCCC(C(=O)N)N1CCCCC1 MCULE-5316498741 [1,1,0,0,0,0|2,0,0]=4 148 B13R1.405 NCCC(C(=O)O)N1CCOCC1 MCULE-2518991716 [1,1,0,0,0,0|2,0,0]=4 149 B13R1.532 CCC(C(=O)OC)N1CCNCC1 MCULE-4267497843 [1,1,0,0,0,0|2,0,0]=4 150 B13R1.532 CCN(C(=O)CCl)C1CCCCC1 MCULE-9455438525 [1,1,0,0,0,0|2,0,0]=4 151 B13R1.532 CCN(C(=O)CN)C1CCCCC1 MCULE-3162928285 [1,1,0,0,0,0|2,0,0]=4 152 B13R1.532 CCN(C(=O)CN)C1CCCCC1 MCULE-6046345251 [1,1,0,0,0,0|2,0,0]=4 153 B13R1.532 COC(=O)C(CN)C1CCCCC1 MCULE-3807128830 [1,1,0,0,0,0|1,0,0]=3 154 B13R1.532 COC(=O)C(CN)C1CCCCC1 MCULE-5181903017 [1,1,0,0,0,0|1,0,0]=3 155 B13R1.532 COC(=O)C(CN)C1CCOCC1 MCULE-3453313853 [1,1,0,0,0,0|2,0,0]=4 156 B13R1.532 COC(=O)C(CN)C1CCOCC1 MCULE-7256696151 [1,1,0,0,0,0|2,0,0]=4 157 B13R1.532 COC(=O)C(CN)N1CCCCC1 MCULE-7998770946 [1,1,0,0,0,0|2,0,0]=4 158 B13R1.532 COC(=O)C(OC)C1CCCCC1 MCULE-9068849776 [1,1,0,0,0,0|1,0,0]=3 159 B13R1.706 CCC(C(=O)O)C1CCC(CC1)C MCULE-5840393222 [1,1,0,0,0,0|0,0,0]=2 160 B13R1.1111 CC(C)C(C(=O)O)N1CCCCC1 MCULE-1262754648 [1,1,0,0,0,0|1,0,0]=3 161 B13R1.1111 CC(C)C(C(=O)O)N1CCCCC1 MCULE-5079253635 [1,1,0,0,0,0|1,0,0]=3 162 B13R1.1111 CC(C)C(C(=O)O)N1CCOCC1 MCULE-4528740133 [1,1,0,0,0,0|2,0,0]=4 163 B13R1.1111 CN(C)C(C(=O)O)C1CCCCC1 MCULE-6312280839 [1,1,0,0,0,0|1,0,0]=3 164 B13R1.1111 CN(C)[C@@H](C(=O)O)C1CCCCC1 MCULE-1143210497 [1,1,0,0,0,0|1,0,0]=3 165 B13R1.1111 CN(C)[C@H](C(=O)O)C1CCCCC1 MCULE-4204333757 [1,1,0,0,0,0|1,0,0]=3 166 B13R1.8699 CC(C)(C(=O)O)C1(CCNCC1)O MCULE-4287573768 [1,1,0,0,0,0|1,0,0]=3 167 B13R1.8699 CC(C)(C(=O)O)C1(CCNCC1)O MCULE-5494581185 [1,1,0,0,0,0|1,0,0]=3 168 B13R1.8699 O=C(O)C(F)(F)C1(CCCCC1)O MCULE-7658830588 [1,1,0,0,0,0|1,0,0]=3 169 B13R1.8699 O=C(O)C(F)(F)C1(CCNCC1)O MCULE-3789800204 [1,1,0,0,0,0|2,0,0]=4 170 B13R1.8699 O=C(O)C(F)(F)C1(CCNCC1)O MCULE-8224971597 [1,1,0,0,0,0|2,0,0]=4 171 B13R1.8699 O=C(O)C(F)(F)C1(CCOCC1)O MCULE-3457315105 [1,1,0,0,0,0|2,0,0]=4 172 B13R1.6335 NCC(C(=O)O)C1CCCCCC1 MCULE-2080732680 [0,0,1,1,0,0|2,0,0]=4 173 B13R1.6335 NCC(C(=O)O)C1CCCCCC1 MCULE-7838789761 [0,0,1,1,0,0|2,0,0]=4 174 B13R2.15 O=C1CCCN1C2CCCCC2 MCULE-9796139449 [1,0,0,1,0,0|2,0,0]=4 175 B13R2.15 O=C1NCCC1C2CCCCC2 MCULE-7608087186 [1,0,0,1,0,0|1,0,0]=3 176 B13R2.15 O=C1NCCC1C2CCOCC2 MCULE-1683923429 [1,0,0,1,0,0|2,0,0]=4 177 B13R2.15 O=C1OCCC1N2CCNCC2 MCULE-7912596961 [1,0,0,1,0,0|2,0,0]=4 178 B13R2.15 O=C1OCCC1N2CCNCC2 MCULE-8555701240 [1,0,0,1,0,0|2,0,0]=4 179 B13R2.15 O=C1OCCN1C2CCNCC2 MCULE-7298849641 [1,0,0,1,0,0|2,0,0]=4 180 B13R2.15 O=C1OCCN1C2CCNCC2 MCULE-8137070488 [1,0,0,1,0,0|2,0,0]=4 181 B13R2.72 O=C(O)C1CCC2N1CCCC2 MCULE-4118834395 [1,0,0,1,0,0|1,0,0]=3 182 B13R2.72 O=C(O)C1CCC2N1CCCC2 MCULE-4612203082 [1,0,0,1,0,0|1,0,0]=3 183 B13R2.72 O=C(O)C1COC2C1CCCC2 MCULE-8553023240 [1,0,0,1,0,0|1,0,0]=3 184 B13R2.437 O=C(O)C1CCC12CCOCC2 MCULE-3586385235 [1,0,0,1,0,0|1,0,0]=3 185 B13R2.437 O=C(O)C1NCC12CCOCC2 MCULE-3634033812 [1,0,0,1,0,0|2,0,0]=4 186 B13R2.437 O=C(O)C1NCC12CCOCC2 MCULE-4318170624 [1,0,0,1,0,0|2,0,0]=4 187 B13R2.439 O=C(O)C1(CC1)C2CCCCC2 MCULE-7273488469 [1,0,0,1,0,0|0,0,0]=2 188 B13R2.439 O=C(O)C1(CC1)C2CCCCO2 MCULE-5570997178 [1,0,0,1,0,0|1,0,0]=3 189 B13R2.439 O=C(O)C1(CC1)C2CCNCC2 MCULE-7433784302 [1,0,0,1,0,0|1,0,0]=3 190 B13R2.439 O=C(O)C1(CC1)C2CCNCC2 MCULE-8807981105 [1,0,0,1,0,0|1,0,0]=3 191 B13R2.439 O=C(O)C1(CC1)C2CCOCC2 MCULE-8234275535 [1,0,0,1,0,0|1,0,0]=3 192 B13R2.439 O=C(O)C1(CC1)N2CCCCC2 MCULE-2145776869 [1,0,0,1,0,0|1,0,0]=3 193 B13R2.439 O=C(O)C1(CC1)N2CCOCC2 MCULE-1102645006 [1,0,0,1,0,0|2,0,0]=4 194 B13R2.439 O=C(O)C1(CC1)N2CCOCC2 MCULE-6005861854 [1,0,0,1,0,0|2,0,0]=4 195 B13R2.12024 NC1C2CCC(C1C(=O)O)CC2 MCULE-6694858857 [1,0,0,1,0,0|1,0,0]=3 196 B13R2.12024 N[C@H]1C2CCC([C@@H]1C(=O)O)CC2 MCULE-2530686293 [1,0,0,1,0,0|1,0,0]=3 197 B13R2.12024 N[C@H]1C2CCC([C@@H]1C(=O)O)CC2 MCULE-2945961248 [1,0,0,1,0,0|1,0,0]=3 198 B13R2.12024 N[C@H]1C2CCC([C@@H]1C(=O)O)CC2 MCULE-6925142308 [1,0,0,1,0,0|1,0,0]=3 199 B13R2.35 O=C(O)C1CNCC12CCCC2 MCULE-4815726842 [0,0,0,1,1,0|2,0,0]=4 200 B13R2.35 O=C(O)C1CNCC12CCCC2 MCULE-5146730782 [0,0,0,1,1,0|2,0,0]=4 201 B13R2.2570 NCC1(CC12CCCC2)C(=O)O MCULE-3797506078 [0,0,0,1,1,0|2,0,0]=4 202 B15R2.161743 O=C(O)C1CCCC2(C1)CCCCC2 MCULE-2486802704 [0,0,0,1,0,1|1,0,0]=3 203 B15R2.161743 O=C(O)C1CCCC2(C1)CCNCC2 MCULE-8399421964 [0,0,0,1,0,1|2,0,0]=4 204 B15R2.161743 O=C(O)C1CCOC2(C1)CCCCC2 MCULE-7877350342 [0,0,0,1,0,1|0,0,0]=2 205 B15R2.161743 O=C(O)C1CCOC2(C1)CCOCC2 MCULE-5517794941 [0,0,0,1,0,1|1,0,0]=3 206 B15R2.62 O=C(O)C1OCCOC12CCOCC2 MCULE-2594890505 [0,1,0,1,0,0|1,0,0]=3 207 B15R2.7447 NC1(CCCCC1)C2CCCCC2=O MCULE-1613531312 [0,1,0,1,0,0|2,0,0]=4 208 B15R2.7447 O=C1CCCCC1C2(CCCCC2)O MCULE-8306152675 [0,1,0,1,0,0|1,0,0]=3 209 B15R2.7447 [NH3+]C1(CCCCC1)C2CCCCC2=O MCULE-6718403924 [0,1,0,1,0,0|2,0,0]=4 210 B15R2.53089 O=C1CC(C2(O1)CCCCC2)C(=O)O MCULE-4705767397 [0,1,0,1,0,0|0,0,1]=3 211 B15R2.162731 O=C(O)C1(CCC1)C2(CCCNC2)O MCULE-6265447869 [0,1,0,1,0,0|1,0,0]=3 212 B15R2.162731 O=C(O)C1(CCC1)C2(CCCNC2)O MCULE-9023001244 [0,1,0,1,0,0|1,0,0]=3 213 B15R2.103 COC(=O)C1CNCC12CCCCC2 MCULE-8402880038 [0,1,0,1,0,0|2,0,0]=4 214 B15R2.103 COC(=O)C1CNCC12CCCCC2 MCULE-8676888868 [0,1,0,1,0,0|2,0,0]=4 215 B15R2.19447 COC(=O)C1(CC12CCCCC2)CN MCULE-9093669984 [0,1,0,1,0,0|2,0,0]=4 216 B11R1.298 CCC(C(=O)O)N1CCCC1 MCULE-1838152278 [1,0,0,0,1,0|1,0,0]=3 217 B11R1.298 CCC(C(=O)O)N1CCCC1 MCULE-8225522753 [1,0,0,0,1,0|1,0,0]=3 218 B11R1.298 CC[C@@H](C(=O)O)N1CCCC1 MCULE-1645939512 [1,0,0,0,1,0|1,0,0]=3 219 B11R1.298 CC[C@H](C(=O)O)N1CCCC1 MCULE-6359197434 [1,0,0,0,1,0|1,0,0]=3 220 B11R1.298 CNC(C(=O)O)C1CCCC1 MCULE-4311551882 [1,0,0,0,1,0|1,0,0]=3 221 B11R1.298 CNC(C(=O)O)C1CCCC1 MCULE-9246811149 [1,0,0,0,1,0|1,0,0]=3 222 B11R1.298 CN[C@H](C(=O)O)C1CCCC1 MCULE-5322905424 [1,0,0,0,1,0|1,0,0]=3 223 B11R1.298 COC(C(=O)O)C1CCCC1 MCULE-3859410444 [1,0,0,0,1,0|1,0,0]=3 224 B11R1.298 COC(C(=O)O)C1CCOC1 MCULE-9838598562 [1,0,0,0,1,0|2,0,0]=4 225 B11R1.298 NCC(C(=O)O)C1CCCC1 MCULE-1744116697 [1,0,0,0,1,0|1,0,0]=3 226 B11R1.298 NCC(C(=O)O)C1CCCC1 MCULE-9731662154 [1,0,0,0,1,0|1,0,0]=3 227 B11R1.298 NCC(C(=O)O)N1CCCC1 MCULE-6610512684 [1,0,0,0,1,0|2,0,0]=4 228 B13R0.186 CCCCCC(=O)NC(CC)C(=O)O MCULE-3755710719 [0,0,1,0,0,1|0,0,2]=4 229 B13R1.418 CCC(CC1CCCCC1)C(=O)O MCULE-1014366537 [1,0,0,0,0,1|0,0,0]=2 230 B13R1.418 CCC(CC1CCOCC1)C(=O)O MCULE-3149796913 [1,0,0,0,0,1|1,0,0]=3 231 B13R1.418 CCC(OC1CCCCC1)C(=O)O MCULE-5506653500 [1,0,0,0,0,1|0,0,0]=2 232 B13R1.418 N#CC(CC1CCCCC1)C(=O)O MCULE-4457810826 [1,0,0,0,0,1|1,0,1]=4 233 B13R1.713 CCC(OC(=O)N)C1CCCCC1 MCULE-8931543279 [1,0,0,0,0,1|1,0,0]=3 234 B13R1.713 NCC(CC(=O)O)C1CCCCC1 MCULE-6363651635 [1,0,0,0,0,1|1,0,0]=3 235 B13R1.713 NCC(CC(=O)O)C1CCCCC1 MCULE-9341930354 [1,0,0,0,0,1|1,0,0]=3 236 B13R1.7467 CC1(CCCCC1)C(N)CC(=O)O MCULE-4424056475 [1,0,0,0,0,1|2,0,0]=4