0 B15R3.441491 C12CC3(CC(C1)(CC(C2)(C3)C)C)C MCULE-9366597530 [0,0,0,0,0,0|1,0,0]=1 1 B15R3.441491 C12CC3(CC(C1)(CC(C2)(C3)O)O)O MCULE-9204065725 [0,0,0,0,0,0|3,0,0]=3 2 B15R3.441491 CC12CC3CC(C1)(CC(C3)(C2)Br)C MCULE-6796620323 [0,0,0,0,0,0|1,0,0]=1 3 B15R3.441491 CC12CC3CC(C1)(CC(C3)(C2)Cl)C MCULE-2373658720 [0,0,0,0,0,0|1,0,0]=1 4 B15R3.441491 CC12CC3CC(C1)(CC(C3)(C2)N)C MCULE-3726352671 [0,0,0,0,0,0|0,0,0]=0 5 B15R3.441491 CC12CC3CC(C1)(CC(C3)(C2)N)C MCULE-6635165082 [0,0,0,0,0,0|0,0,0]=0 6 B15R3.441491 CC12CC3CC(C1)(CC(C3)(C2)O)C MCULE-1816289049 [0,0,0,0,0,0|1,0,0]=1 7 B15R3.441491 CC12CN3CC(C1)(C[N+](C3)(C2)C)C MCULE-4672382597 [0,0,0,0,0,0|3,0,0]=3 8 B15R3.441491 CC12CN3CC(C1)(C[N+](C3)(C2)C)C MCULE-5838785873 [0,0,0,0,0,0|3,0,0]=3 9 B15R3.441491 C[C@@]12CN3C[C@@](C1)(C[N@+](C3)(C2)C)C MCULE-9088555459 [0,0,0,0,0,0|3,0,0]=3 10 B15R3.441491 C[C@@]12CN3C[C@@](C1)(C[N@+](C3)(C2)C)C MCULE-9672816719 [0,0,0,0,0,0|3,0,0]=3 11 B15R3.441491 C[C@]12C[C@@H]3C[C@](C1)(C[C@@](C3)(C2)N)C MCULE-6876404297 [0,0,0,0,0,0|0,0,0]=0 12 B15R3.441491 C[C@]12C[C@@H]3C[C@](C1)(C[C@@](C3)(C2)O)C MCULE-6591129230 [0,0,0,0,0,0|1,0,0]=1 13 B15R3.441491 NC12CC3CC(C1)(CC(C3)(C2)O)O MCULE-9531518954 [0,0,0,0,0,0|2,0,0]=2 14 B15R3.441491 [C@@H]12C[C@]3(C[C@@](C1)(C[C@](C3)(C2)Br)C)C MCULE-2909530338 [0,0,0,0,0,0|1,0,0]=1 15 B15R3.441491 [C@@H]12C[C@]3(C[C@@](C1)(C[C@](C3)(C2)Cl)C)C MCULE-3439055419 [0,0,0,0,0,0|1,0,0]=1 16 B15R3.441491 [C@@H]12C[C@]3(C[C@@](C1)(C[C@](C3)(C2)N)C)C MCULE-8802256131 [0,0,0,0,0,0|0,0,0]=0 17 B14R3.63177 CC12CC3CC(C1)CC(C3)(C2)Br MCULE-8390202872 [1,0,0,0,0,0|1,0,0]=2 18 B14R3.63177 CC12CC3CC(C1)CC(C3)(C2)N MCULE-4880836650 [1,0,0,0,0,0|0,0,0]=1 19 B14R3.63177 CC12CC3CC(C1)CC(C3)(C2)N MCULE-5586992865 [1,0,0,0,0,0|0,0,0]=1 20 B14R3.63177 CC12CC3CC(C1)CC(C3)(C2)O MCULE-1797771489 [1,0,0,0,0,0|1,0,0]=2 21 B14R3.63177 CC12CN3CN(C1)CC(C3)(C2)C MCULE-6870222986 [1,0,0,0,0,0|2,0,0]=3 22 B14R3.63177 NC12CC3CC(C1)CC(C3)(C2)Br MCULE-5688533859 [1,0,0,0,0,0|1,0,0]=2 23 B14R3.63177 NC12CC3CC(C1)CC(C3)(C2)Br MCULE-9333299759 [1,0,0,0,0,0|1,0,0]=2 24 B14R3.63177 NC12CC3CC(C1)CC(C3)(C2)Cl MCULE-4686462612 [1,0,0,0,0,0|1,0,0]=2 25 B14R3.63177 NC12CC3CC(C1)CC(C3)(C2)Cl MCULE-6630353929 [1,0,0,0,0,0|1,0,0]=2 26 B14R3.63177 NC12CC3CC(C1)CC(C3)(C2)F MCULE-6671719467 [1,0,0,0,0,0|1,0,0]=2 27 B14R3.63177 NC12CC3CC(C1)CC(C3)(C2)F MCULE-8012024072 [1,0,0,0,0,0|1,0,0]=2 28 B14R3.63177 NC12CC3CC(C1)CC(C3)(C2)O MCULE-2240455807 [1,0,0,0,0,0|1,0,0]=2 29 B14R3.63177 NC12CC3CC(C1)CC(C3)(C2)O MCULE-2283917510 [1,0,0,0,0,0|1,0,0]=2 30 B14R3.63177 NC12CC3CC(C1)CC(C3)(C2)O MCULE-4253257774 [1,0,0,0,0,0|1,0,0]=2 31 B16R3.1641211 CC12CC3CC(C1)(CC(C3)(C2)CN)C MCULE-1068511528 [0,1,0,0,0,0|0,0,0]=1 32 B16R3.1641211 CC12CC3CC(C1)(CC(C3)(C2)CN)C MCULE-7050807769 [0,1,0,0,0,0|0,0,0]=1 33 B16R3.1641211 CC12CC3CC(C1)(CC(C3)(C2)CO)C MCULE-5014164456 [0,1,0,0,0,0|1,0,0]=2 34 B16R3.1641211 CC12CC3CC(C1)(CC(C3)(C2)CO)N MCULE-1375110927 [0,1,0,0,0,0|0,0,0]=1 35 B16R3.1641211 CC12CC3CC(C1)(CC(C3)(C2)CO)N MCULE-8677288926 [0,1,0,0,0,0|0,0,0]=1 36 B16R3.1641211 CCC12CC3CC(C1)(CC(C3)(C2)N)C MCULE-3840856957 [0,1,0,0,0,0|0,0,0]=1 37 B16R3.1641211 CCC12CC3CC(C1)(CC(C3)(C2)N)C MCULE-6293929320 [0,1,0,0,0,0|0,0,0]=1 38 B16R3.1641211 CCC12CC3CC(C1)(CC(C3)(C2)O)O MCULE-8468025901 [0,1,0,0,0,0|2,0,0]=3 39 B16R3.1641211 COC12CC3CC(C1)(CC(C3)(C2)C)C MCULE-7078665222 [0,1,0,0,0,0|1,0,0]=2 40 B16R3.1641211 C[C@]12C[C@@H]3C[C@](C1)(C[C@@](C3)(C2)CO)C MCULE-3658710452 [0,1,0,0,0,0|1,0,0]=2 41 B16R3.1721476 CC12CC3(CC(C1)(CC(C2)(C3)O)N)C MCULE-3441214463 [0,1,0,0,0,0|0,0,0]=1 42 B16R3.1721476 CC12CC3(CC(C1)(CC(C2)(C3)O)N)C MCULE-9527583671 [0,1,0,0,0,0|0,0,0]=1 43 B13R2.22572 CN1CC2(CNCC(C1)(C2)C)C MCULE-2746785386 [1,0,1,0,0,0|2,0,0]=4 44 B13R2.22572 CN1CC2(CNCC(C1)(C2)C)C MCULE-3245486369 [1,0,1,0,0,0|2,0,0]=4 45 B13R2.22572 CN1C[C@@]2(CNC[C@](C1)(C2)C)C MCULE-8688394830 [1,0,1,0,0,0|2,0,0]=4 46 B13R3.10150 BrC12CC3CC(C1)CC(C3)C2 MCULE-8619794515 [2,0,0,0,0,0|1,0,0]=3 47 B13R3.10150 CC12CC3CC(C1)CC(C3)C2 MCULE-4237936259 [2,0,0,0,0,0|0,0,0]=2 48 B13R3.10150 ClC12CC3CC(C1)CC(C3)C2 MCULE-1024193353 [2,0,0,0,0,0|1,0,0]=3 49 B13R3.10150 FC12CC3CC(C1)CC(C3)C2 MCULE-8340768681 [2,0,0,0,0,0|1,0,0]=3 50 B13R3.10150 IC12CC3CC(C1)CC(C3)C2 MCULE-9931089270 [2,0,0,0,0,0|1,0,0]=3 51 B13R3.10150 NC12CC3CC(C1)CC(C3)C2 MCULE-2218148890 [2,0,0,0,0,0|0,0,0]=2 52 B13R3.10150 NC12CC3CC(C1)CC(C3)C2 MCULE-2948891352 [2,0,0,0,0,0|0,0,0]=2 53 B13R3.10150 NC12CC3CC(C1)CC(C3)C2 MCULE-9686682307 [2,0,0,0,0,0|0,0,0]=2 54 B13R3.10150 OC12CC3CC(C1)CC(C3)C2 MCULE-4421626069 [2,0,0,0,0,0|1,0,0]=3 55 B13R3.10150 OC12CC3CC(C1)CC(C3)N2 MCULE-2286370597 [2,0,0,0,0,0|2,0,0]=4 56 B13R3.10150 SC12CC3CC(C1)CC(C3)C2 MCULE-6132979579 [2,0,0,0,0,0|1,0,0]=3 57 B13R3.10150 [C@@H]12C[C@H]3C[C@@H](C1)C[C@@](C2)(N3)O MCULE-8472049681 [2,0,0,0,0,0|2,0,0]=4 58 B13R3.10150 [NH3+]C12CC3CC(C1)CC(C3)C2 MCULE-3304000119 [2,0,0,0,0,0|0,0,1]=3 59 B15R3.55434 CC12CN3CN(C1)CC(C3)(C2N)C MCULE-5085233431 [1,1,0,0,0,0|2,0,0]=4 60 B15R3.55434 CC1C2(CC3CC(C2)CC1(C3)Br)C MCULE-7504217761 [1,1,0,0,0,0|1,0,0]=3 61 B15R3.273369 BrCC12CC3CC(C1)CC(C3)(C2)Br MCULE-3853967886 [1,1,0,0,0,0|1,0,0]=3 62 B15R3.273369 CC12CC3CC(C1)CC(C3)(C2)CN MCULE-4264077535 [1,1,0,0,0,0|0,0,0]=2 63 B15R3.273369 CC12CC3CC(C1)CC(C3)(C2)CN MCULE-5371437172 [1,1,0,0,0,0|0,0,0]=2 64 B15R3.273369 CC12CC3CC(C1)CC(C3)(O2)CO MCULE-1647582115 [1,1,0,0,0,0|1,0,0]=3 65 B15R3.273369 CCC12CC3CC(C1)CC(C3)(C2)Br MCULE-8638429715 [1,1,0,0,0,0|1,0,0]=3 66 B15R3.273369 CCC12CC3CC(C1)CC(C3)(C2)N MCULE-1445315551 [1,1,0,0,0,0|0,0,0]=2 67 B15R3.273369 CCC12CC3CC(C1)CC(C3)(C2)N MCULE-7545981729 [1,1,0,0,0,0|0,0,0]=2 68 B15R3.273369 CCC12CC3CC(C1)CC(C3)(C2)O MCULE-5139003574 [1,1,0,0,0,0|1,0,0]=3 69 B15R3.273369 CNC12CC3CC(C1)CC(C3)(C2)S MCULE-1654401366 [1,1,0,0,0,0|1,0,0]=3 70 B15R3.273369 CNC12CC3CC(C1)CC(C3)(C2)S MCULE-9034286671 [1,1,0,0,0,0|1,0,0]=3 71 B15R3.273369 N#CC12CC3CC(C1)CC(C3)(C2)Cl MCULE-4399156286 [1,1,0,0,0,0|1,0,1]=4 72 B15R3.273369 N#CC12CC3CC(C1)CC(C3)(C2)O MCULE-4106118598 [1,1,0,0,0,0|1,0,1]=4 73 B15R3.273369 NC12CC3CC(C1)CC(C3)(C2)CO MCULE-9543663905 [1,1,0,0,0,0|0,0,0]=2 74 B15R3.273369 NCC12CC3CC(C1)CC(C3)(C2)Cl MCULE-5960288222 [1,1,0,0,0,0|1,0,0]=3 75 B15R3.273369 NCC12CC3CC(C1)CC(C3)(C2)Cl MCULE-7140176083 [1,1,0,0,0,0|1,0,0]=3 76 B15R3.273369 NCC12CC3CC(C1)CC(C3)(C2)N MCULE-2931096871 [1,1,0,0,0,0|0,0,0]=2 77 B15R3.273369 NCC12CC3CC(C1)CC(C3)(C2)O MCULE-2504233792 [1,1,0,0,0,0|1,0,0]=3 78 B15R3.273369 NCC12CC3CC(C1)CC(C3)(C2)O MCULE-2770423716 [1,1,0,0,0,0|1,0,0]=3 79 B15R3.273369 NCC12CC3CC(C1)CC(C3)(C2)S MCULE-2317393270 [1,1,0,0,0,0|1,0,0]=3 80 B15R3.273369 NCC12CC3CC(C1)CC(C3)(C2)S MCULE-8839326250 [1,1,0,0,0,0|1,0,0]=3 81 B15R3.273369 OC12CC3CC(C1)CC(C3)(C2)CBr MCULE-3651445898 [1,1,0,0,0,0|1,0,0]=3 82 B15R3.273369 OCC12CC3CC(C1)CC(C3)(C2)Br MCULE-2434889171 [1,1,0,0,0,0|1,0,0]=3 83 B15R3.273369 OCC12CC3CC(C1)CC(C3)(C2)F MCULE-3054926841 [1,1,0,0,0,0|1,0,0]=3 84 B15R3.273369 OCC12CC3CC(C1)CC(C3)(C2)O MCULE-6266146283 [1,1,0,0,0,0|1,0,0]=3 85 B17R3.5669896 CC12CC3CC(C1)(CC(C3)(C2)NC=O)C MCULE-5274493375 [0,2,0,0,0,0|0,0,0]=2 86 B17R3.5878818 CC(N)C12CC3CC(C1)(CC(C3)(C2)C)C MCULE-5399796797 [0,2,0,0,0,0|0,0,0]=2 87 B17R3.5878818 CC(N)C12CC3CC(C1)(CC(C3)(C2)C)C MCULE-7666932282 [0,2,0,0,0,0|0,0,0]=2 88 B17R3.5878818 CC12CC3CC(C1)(CC(C3)(C2)C(=O)Cl)C MCULE-6755921860 [0,2,0,0,0,0|1,0,0]=3 89 B17R3.5878818 CC12CC3CC(C1)(CC(C3)(C2)C(=O)N)C MCULE-3347025172 [0,2,0,0,0,0|0,0,0]=2 90 B17R3.5878818 CC12CC3CC(C1)(CC(C3)(C2)C(=O)O)Br MCULE-4182573966 [0,2,0,0,0,0|1,0,1]=4 91 B17R3.5878818 CC12CC3CC(C1)(CC(C3)(C2)C(=O)O)C MCULE-8283535111 [0,2,0,0,0,0|1,0,0]=3 92 B17R3.5878818 CC12CC3CC(C1)(CC(C3)(C2)C(=O)O)O MCULE-3837009557 [0,2,0,0,0,0|1,0,1]=4 93 B17R3.5878818 CC12CC3CC(C1)(CC(C3)(C2)N(=O)=O)C MCULE-1753643390 [0,2,0,0,0,0|0,0,1]=3 94 B17R3.5878818 C[C@]12C[C@@H]3C[C@](C1)(C[C@@](C3)(C2)C(=O)O)C MCULE-9214416386 [0,2,0,0,0,0|1,0,0]=3 95 B17R3.6232405 CCC12CC3(CC(C1)(CC(C3)(C2)N)C)C MCULE-2535400087 [0,2,0,0,0,0|0,0,0]=2 96 B17R3.6232405 CCC12CC3(CC(C1)(CC(C3)(C2)N)C)C MCULE-2818452326 [0,2,0,0,0,0|0,0,0]=2 97 B13R1.2837 CC1(CC(CC(C1)(C)C)CCO)C MCULE-9080938480 [0,0,2,0,0,0|1,0,0]=3 98 B13R1.2837 CC1(CC(CC(N1)(C)C)CCBr)C MCULE-3409738298 [0,0,2,0,0,0|2,0,0]=4 99 B13R1.2837 CC1(CC(CC(N1)(C)C)CCBr)C MCULE-3464331151 [0,0,2,0,0,0|2,0,0]=4 100 B13R1.2837 CC1(CC(CC(N1)(C)C)CCO)C MCULE-1497512995 [0,0,2,0,0,0|2,0,0]=4 101 B13R1.2837 CC1(CC(CC(N1)(C)C)CCO)C MCULE-2018912206 [0,0,2,0,0,0|2,0,0]=4 102 B13R1.11500 CC1(CC(CC(C1)(O)CN)(C)C)C MCULE-7057360644 [0,0,2,0,0,0|2,0,0]=4