0 B8R1.4 C1(CC(=O)CCN1)C MCULE-1061296374 [0,0,0,0,0,0|2,0,2]=4 1 B8R1.4 C1(CC(=O)CCN1)C MCULE-4465075512 [0,0,0,0,0,0|2,0,2]=4 2 B8R1.4 C1(CC(=O)CCN1)C MCULE-9958407361 [0,0,0,0,0,0|2,0,2]=4 3 B8R1.4 C1(CNCC(=O)N1)C MCULE-3246707428 [0,0,0,0,0,0|2,0,1]=3 4 B8R1.4 C=C1CCCC(=O)O1 MCULE-1342678884 [0,0,0,0,0,0|0,0,4]=4 5 B8R1.4 CC1=CC(=CC=C1)F MCULE-6045140729 [0,0,0,0,0,0|2,0,2]=4 6 B8R1.4 CC1=CC(=CC=C1)I MCULE-3795791692 [0,0,0,0,0,0|2,0,2]=4 7 B8R1.4 CC1=CC(=CC=C1)N MCULE-1920471804 [0,0,0,0,0,0|2,0,2]=4 8 B8R1.4 CC1=CC(=CC=C1)N MCULE-5245184326 [0,0,0,0,0,0|2,0,2]=4 9 B8R1.4 CC1=CC(=CC=C1)O MCULE-6836106503 [0,0,0,0,0,0|1,0,3]=4 10 B8R1.4 CC1=CC(=CC=N1)Cl MCULE-9459644382 [0,0,0,0,0,0|3,0,1]=4 11 B8R1.4 CC1=CC(=CC=N1)N MCULE-3535156881 [0,0,0,0,0,0|3,0,1]=4 12 B8R1.4 CC1=CC(=CC=N1)N MCULE-8749182622 [0,0,0,0,0,0|3,0,1]=4 13 B8R1.4 CC1=CC(=O)C=CO1 MCULE-4709385267 [0,0,0,0,0,0|2,0,1]=3 14 B8R1.4 CC1=CC(=O)CCC1 MCULE-6849313207 [0,0,0,0,0,0|1,0,3]=4 15 B8R1.4 CC1=CC(=O)NC=N1 MCULE-4546584000 [0,0,0,0,0,0|3,0,1]=4 16 B8R1.4 CC1=CC(=O)OCC1 MCULE-1467184061 [0,0,0,0,0,0|2,0,2]=4 17 B8R1.4 CC1=CC(CNC1)C MCULE-4673363753 [0,0,0,0,0,0|3,0,1]=4 18 B8R1.4 CC1=CC(CNC1)C MCULE-8321555834 [0,0,0,0,0,0|3,0,1]=4 19 B8R1.4 CC1=CC=CC(=C1)Br MCULE-4991934524 [0,0,0,0,0,0|2,0,2]=4 20 B8R1.4 CC1=CC=CC(=C1)C MCULE-9376558510 [0,0,0,0,0,0|2,0,2]=4 21 B8R1.4 CC1=CC=CC(=C1)Cl MCULE-9550807032 [0,0,0,0,0,0|2,0,2]=4 22 B8R1.4 CC1=CC=CC(=C1)N MCULE-1279166450 [0,0,0,0,0,0|2,0,2]=4 23 B8R1.4 CC1=CC=CC(=C1)N MCULE-5301195436 [0,0,0,0,0,0|2,0,2]=4 24 B8R1.4 CC1=CC=CC(=C1)S MCULE-6507261580 [0,0,0,0,0,0|1,1,2]=4 25 B8R1.4 CC1=CC=CC(=C1)[O-] MCULE-8199453116 [0,0,0,0,0,0|1,0,3]=4 26 B8R1.4 CC1=CC=CC(=N1)Br MCULE-5449488171 [0,0,0,0,0,0|2,0,2]=4 27 B8R1.4 CC1=CC=CC(=N1)C MCULE-7437303122 [0,0,0,0,0,0|2,0,2]=4 28 B8R1.4 CC1=CC=CC(=N1)C MCULE-9899916337 [0,0,0,0,0,0|2,0,2]=4 29 B8R1.4 CC1=CC=CC(=N1)Cl MCULE-5983649332 [0,0,0,0,0,0|2,0,2]=4 30 B8R1.4 CC1=CC=CC(=N1)F MCULE-1236906403 [0,0,0,0,0,0|2,0,2]=4 31 B8R1.4 CC1=CC=CC(=N1)I MCULE-7577310384 [0,0,0,0,0,0|2,0,2]=4 32 B8R1.4 CC1=CC=CC(=N1)N MCULE-5016880155 [0,0,0,0,0,0|2,0,2]=4 33 B8R1.4 CC1=CC=CC(=O)N1 MCULE-2763977381 [0,0,0,0,0,0|1,0,2]=3 34 B8R1.4 CC1=CC=CC(=S)N1 MCULE-5057123376 [0,0,0,0,0,0|1,1,2]=4 35 B8R1.4 CC1=CC=NC(=C1)C MCULE-4424416466 [0,0,0,0,0,0|3,0,1]=4 36 B8R1.4 CC1=CC=NC(=O)C1 MCULE-4882777367 [0,0,0,0,0,0|2,0,2]=4 37 B8R1.4 CC1=CC=NC(=O)N1 MCULE-6541642341 [0,0,0,0,0,0|2,0,2]=4 38 B8R1.4 CC1=CCCC(=O)O1 MCULE-1590433845 [0,0,0,0,0,0|0,0,4]=4 39 B8R1.4 CC1=NC(=CC=N1)Cl MCULE-6193249685 [0,0,0,0,0,0|3,0,1]=4 40 B8R1.4 CC1=NC(=N)C=CN1 MCULE-6773374255 [0,0,0,0,0,0|3,0,1]=4 41 B8R1.4 CC1=NC(=N)C=CN1 MCULE-6777516279 [0,0,0,0,0,0|3,0,1]=4 42 B8R1.4 CC1=NC(=NC=C1)C MCULE-8802802250 [0,0,0,0,0,0|3,0,1]=4 43 B8R1.4 CC1=NC(=O)C=CN1 MCULE-5044952802 [0,0,0,0,0,0|2,0,1]=3 44 B8R1.4 CC1=NC(=O)NC=C1 MCULE-2973571138 [0,0,0,0,0,0|2,0,2]=4 45 B8R1.4 CC1=NC=CC(=C1)Br MCULE-3282338305 [0,0,0,0,0,0|3,0,1]=4 46 B8R1.4 CC1=NC=CC(=C1)Br MCULE-6217035964 [0,0,0,0,0,0|3,0,1]=4 47 B8R1.4 CC1=NC=CC(=C1)Br MCULE-9620229659 [0,0,0,0,0,0|3,0,1]=4 48 B8R1.4 CC1=NC=CC(=C1)F MCULE-2696341329 [0,0,0,0,0,0|3,0,1]=4 49 B8R1.4 CC1=NC=CC(=C1)I MCULE-7881506911 [0,0,0,0,0,0|3,0,1]=4 50 B8R1.4 CC1=NC=CC(=C1)O MCULE-5342065244 [0,0,0,0,0,0|2,0,2]=4 51 B8R1.4 CC1=NC=CC(=N1)Br MCULE-4443387283 [0,0,0,0,0,0|3,0,1]=4 52 B8R1.4 CC1=NC=CC(=N1)Cl MCULE-9800967463 [0,0,0,0,0,0|3,0,1]=4 53 B8R1.4 CC1=NC=CC(=N1)I MCULE-7865818265 [0,0,0,0,0,0|3,0,1]=4 54 B8R1.4 CC1=NC=CC(=N1)O MCULE-2063475679 [0,0,0,0,0,0|2,0,2]=4 55 B8R1.4 CC1CC(=O)CCN1 MCULE-3306158037 [0,0,0,0,0,0|2,0,2]=4 56 B8R1.4 CC1CC(=O)CCN1 MCULE-4556824309 [0,0,0,0,0,0|2,0,2]=4 57 B8R1.4 CC1CC(=O)CCN1 MCULE-6103506996 [0,0,0,0,0,0|2,0,2]=4 58 B8R1.4 CC1CC(=O)CCN1 MCULE-9670943852 [0,0,0,0,0,0|2,0,2]=4 59 B8R1.4 CC1CC(=O)CCO1 MCULE-3051168755 [0,0,0,0,0,0|2,0,2]=4 60 B8R1.4 CC1CC=CC(=O)O1 MCULE-3191839185 [0,0,0,0,0,0|0,0,0]=0 61 B8R1.4 CC1CCCC(=O)C1 MCULE-6473963111 [0,0,0,0,0,0|1,0,2]=3 62 B8R1.4 CC1CCCC(=O)C1 MCULE-9918051823 [0,0,0,0,0,0|1,0,2]=3 63 B8R1.4 CC1CCCC(=O)N1 MCULE-3851963076 [0,0,0,0,0,0|1,0,2]=3 64 B8R1.4 CC1CCCC(=O)O1 MCULE-4000069856 [0,0,0,0,0,0|0,0,2]=2 65 B8R1.4 CC1CCN=C(S1)N MCULE-2188659606 [0,0,0,0,0,0|2,1,1]=4 66 B8R1.4 CC1CCN=C(S1)N MCULE-8502352820 [0,0,0,0,0,0|2,1,1]=4 67 B8R1.4 CC1CCNC(=N)C1 MCULE-2615774284 [0,0,0,0,0,0|3,0,1]=4 68 B8R1.4 CC1CCNC(=N)C1 MCULE-9034088725 [0,0,0,0,0,0|3,0,1]=4 69 B8R1.4 CC1CCNC(=O)C1 MCULE-8903018599 [0,0,0,0,0,0|2,0,1]=3 70 B8R1.4 CC1CCNC(=O)N1 MCULE-6491047836 [0,0,0,0,0,0|2,0,1]=3 71 B8R1.4 CC1CCOB(O1)O MCULE-4196565139 [0,0,0,0,0,0|2,0,2]=4 72 B8R1.4 CC1CCOC(=O)C1 MCULE-2682865017 [0,0,0,0,0,0|2,0,1]=3 73 B8R1.4 CC1CCOC(=O)O1 MCULE-5929311811 [0,0,0,0,0,0|1,0,1]=2 74 B8R1.4 CC1CCOC(O1)C MCULE-1813287934 [0,0,0,0,0,0|2,0,2]=4 75 B8R1.4 CC1CCOS(=O)O1 MCULE-8688981983 [0,0,0,0,0,0|2,0,1]=3 76 B8R1.4 CC1CNCC(=O)N1 MCULE-5727167900 [0,0,0,0,0,0|2,0,1]=3 77 B8R1.4 CC1CNCC(=O)N1 MCULE-9599432640 [0,0,0,0,0,0|2,0,1]=3 78 B8R1.4 CC1CNCC(O1)C MCULE-1246186846 [0,0,0,0,0,0|2,0,2]=4 79 B8R1.4 CC1CNCC(O1)C MCULE-4536319828 [0,0,0,0,0,0|2,0,2]=4 80 B8R1.4 CC1COCC(=O)N1 MCULE-4768427051 [0,0,0,0,0,0|2,0,1]=3 81 B8R1.4 CC1COCC(=O)N1 MCULE-5909800781 [0,0,0,0,0,0|2,0,1]=3 82 B8R1.4 CN1CCC=C(C1)Br MCULE-2257933393 [0,0,0,0,0,0|3,0,1]=4 83 B8R1.4 CN1CCC=C(C1)Br MCULE-5744160461 [0,0,0,0,0,0|3,0,1]=4 84 B8R1.4 CN1CCCC(=O)C1 MCULE-1067967474 [0,0,0,0,0,0|2,0,2]=4 85 B8R1.4 CN1CCCC(=O)C1 MCULE-4816876030 [0,0,0,0,0,0|2,0,2]=4 86 B8R1.4 CN1CCNC(=O)C1 MCULE-5564854834 [0,0,0,0,0,0|3,0,1]=4 87 B8R1.4 CN1CCOC(=O)C1 MCULE-2224720964 [0,0,0,0,0,0|3,0,1]=4 88 B8R1.4 CN1CCOC(=O)C1 MCULE-9163078129 [0,0,0,0,0,0|3,0,1]=4 89 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-7688577280 [0,0,0,0,0,0|2,0,2]=4 90 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-7762440526 [0,0,0,0,0,0|2,0,2]=4 91 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-8158589956 [0,0,0,0,0,0|2,0,2]=4 92 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-9544551566 [0,0,0,0,0,0|2,0,2]=4 93 B8R1.4 C[C@@H]1CC(=O)CCO1 MCULE-4878813100 [0,0,0,0,0,0|2,0,2]=4 94 B8R1.4 C[C@@H]1CC(=O)CCO1 MCULE-7917159022 [0,0,0,0,0,0|2,0,2]=4 95 B8R1.4 C[C@@H]1CCCC(=O)C1 MCULE-1868776628 [0,0,0,0,0,0|1,0,2]=3 96 B8R1.4 C[C@@H]1CCCC(=O)C1 MCULE-6973928430 [0,0,0,0,0,0|1,0,2]=3 97 B8R1.4 C[C@@H]1CCCC(=O)N1 MCULE-2050655386 [0,0,0,0,0,0|1,0,2]=3 98 B8R1.4 C[C@@H]1CCCC(=O)N1 MCULE-7049359933 [0,0,0,0,0,0|1,0,2]=3 99 B8R1.4 C[C@@H]1CCCC(=O)O1 MCULE-6306078053 [0,0,0,0,0,0|0,0,2]=2 100 B8R1.4 C[C@@H]1CCCC(=O)O1 MCULE-7616070208 [0,0,0,0,0,0|0,0,2]=2 101 B8R1.4 C[C@@H]1CCN=C(S1)N MCULE-5066686774 [0,0,0,0,0,0|2,1,1]=4 102 B8R1.4 C[C@@H]1CCN=C(S1)N MCULE-6965708093 [0,0,0,0,0,0|2,1,1]=4 103 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-3378865379 [0,0,0,0,0,0|2,0,1]=3 104 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-5740698320 [0,0,0,0,0,0|2,0,1]=3 105 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-7692987274 [0,0,0,0,0,0|2,0,1]=3 106 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-8897582822 [0,0,0,0,0,0|2,0,1]=3 107 B8R1.4 C[C@@H]1CNC[C@H](O1)C MCULE-8338777291 [0,0,0,0,0,0|2,0,2]=4 108 B8R1.4 C[C@@H]1CNC[C@H](O1)C MCULE-9597572516 [0,0,0,0,0,0|2,0,2]=4 109 B8R1.4 C[C@@H]1COCC(=O)N1 MCULE-1758598852 [0,0,0,0,0,0|2,0,1]=3 110 B8R1.4 C[C@@H]1COCC(=O)N1 MCULE-2011395384 [0,0,0,0,0,0|2,0,1]=3 111 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-1599463757 [0,0,0,0,0,0|2,0,2]=4 112 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-4580048332 [0,0,0,0,0,0|2,0,2]=4 113 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-5356496154 [0,0,0,0,0,0|2,0,2]=4 114 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-5733481696 [0,0,0,0,0,0|2,0,2]=4 115 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-6641640616 [0,0,0,0,0,0|2,0,2]=4 116 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-8001129555 [0,0,0,0,0,0|2,0,2]=4 117 B8R1.4 C[C@H]1CC(=O)CCO1 MCULE-7799394182 [0,0,0,0,0,0|2,0,2]=4 118 B8R1.4 C[C@H]1CCCC(=O)C1 MCULE-4643975445 [0,0,0,0,0,0|1,0,2]=3 119 B8R1.4 C[C@H]1CCCC(=O)C1 MCULE-6122391840 [0,0,0,0,0,0|1,0,2]=3 120 B8R1.4 C[C@H]1CCNC(=O)C1 MCULE-7120988665 [0,0,0,0,0,0|2,0,1]=3 121 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-3182538973 [0,0,0,0,0,0|2,0,1]=3 122 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-3207104811 [0,0,0,0,0,0|2,0,1]=3 123 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-5895954143 [0,0,0,0,0,0|2,0,1]=3 124 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-6535652978 [0,0,0,0,0,0|2,0,1]=3 125 B8R1.4 C[C@H]1CNC[C@@H](O1)C MCULE-3690703731 [0,0,0,0,0,0|2,0,2]=4 126 B8R1.4 C[C@H]1CNC[C@@H](O1)C MCULE-4390136549 [0,0,0,0,0,0|2,0,2]=4 127 B8R1.4 C[C@H]1CNC[C@@H](O1)C MCULE-6341510399 [0,0,0,0,0,0|2,0,2]=4 128 B8R1.4 C[C@H]1CNC[C@H](O1)C MCULE-8184385886 [0,0,0,0,0,0|2,0,2]=4 129 B8R1.4 C[C@H]1COCC(=O)N1 MCULE-5693624195 [0,0,0,0,0,0|2,0,1]=3 130 B8R1.4 C[C@H]1COCC(=O)N1 MCULE-8476323396 [0,0,0,0,0,0|2,0,1]=3 131 B8R1.4 C[N+]1=CC(=CC=C1)N MCULE-4555031146 [0,0,0,0,0,0|3,0,1]=4 132 B8R1.4 C[N+]1=CC(=CC=C1)N MCULE-7467812000 [0,0,0,0,0,0|3,0,1]=4 133 B8R1.4 C[N+]1=CC(=CC=C1)O MCULE-3080525423 [0,0,0,0,0,0|2,0,2]=4 134 B8R1.4 C[N+]1=CC(=CC=C1)O MCULE-9199830919 [0,0,0,0,0,0|2,0,2]=4 135 B8R1.4 C[N+]1=CC(=CC=C1)O MCULE-9774407391 [0,0,0,0,0,0|2,0,2]=4 136 B8R1.4 C[N+]1=CC=CC(=C1)Br MCULE-4381854301 [0,0,0,0,0,0|3,0,1]=4 137 B8R1.4 C[N+]1=CC=CC(=C1)Br MCULE-9257476105 [0,0,0,0,0,0|3,0,1]=4 138 B8R1.4 C[N+]1=CC=CC(=C1)Cl MCULE-8120377813 [0,0,0,0,0,0|3,0,1]=4 139 B8R1.4 C[N+]1=CC=CC(=C1)Cl MCULE-8851733175 [0,0,0,0,0,0|3,0,1]=4 140 B8R1.4 C[N+]1=CC=CC(=C1)Cl MCULE-9872161215 [0,0,0,0,0,0|3,0,1]=4 141 B8R1.4 C[N+]1=CC=CC(=C1)I MCULE-1625966700 [0,0,0,0,0,0|3,0,1]=4 142 B8R1.4 C[N+]1=CC=CC(=C1)I MCULE-1914951817 [0,0,0,0,0,0|3,0,1]=4 143 B8R1.4 C[N+]1=CC=CC(=C1)I MCULE-8690034431 [0,0,0,0,0,0|3,0,1]=4 144 B8R1.4 NC1=NC=CC(=O)N1 MCULE-7474139826 [0,0,0,0,0,0|3,0,1]=4 145 B8R1.4 NC1CCCC(=O)C1 MCULE-3659606498 [0,0,0,0,0,0|2,0,2]=4 146 B8R1.4 NC1CCCC(=O)C1 MCULE-8815445353 [0,0,0,0,0,0|2,0,2]=4 147 B8R1.4 NC1CCNC(=O)C1 MCULE-2185303732 [0,0,0,0,0,0|3,0,1]=4 148 B8R1.4 NC1CCNC(=O)C1 MCULE-4290135082 [0,0,0,0,0,0|3,0,1]=4 149 B8R1.4 NC1CCNC(=O)C1 MCULE-6525283699 [0,0,0,0,0,0|3,0,1]=4 150 B8R1.4 NC1CCNC(=O)C1 MCULE-8080194775 [0,0,0,0,0,0|3,0,1]=4 151 B8R1.4 NC1COCC(=O)C1 MCULE-4958107203 [0,0,0,0,0,0|3,0,1]=4 152 B8R1.4 NC1COCC(=O)C1 MCULE-9645630994 [0,0,0,0,0,0|3,0,1]=4 153 B8R1.4 N[C@@H]1CCCC(=O)C1 MCULE-4006583256 [0,0,0,0,0,0|2,0,2]=4 154 B8R1.4 N[C@@H]1CCNC(=O)C1 MCULE-8276559925 [0,0,0,0,0,0|3,0,1]=4 155 B8R1.4 N[C@@H]1COCC(=O)C1 MCULE-3299834957 [0,0,0,0,0,0|3,0,1]=4 156 B8R1.4 N[C@@H]1COCC(=O)C1 MCULE-6683156371 [0,0,0,0,0,0|3,0,1]=4 157 B8R1.4 N[C@H]1CCCC(=O)C1 MCULE-9786035316 [0,0,0,0,0,0|2,0,2]=4 158 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-1641151984 [0,0,0,0,0,0|3,0,1]=4 159 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-2042394403 [0,0,0,0,0,0|3,0,1]=4 160 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-6400271298 [0,0,0,0,0,0|3,0,1]=4 161 B8R1.4 O=C1C=CC=C(N1)Cl MCULE-5990074384 [0,0,0,0,0,0|2,0,2]=4 162 B8R1.4 O=C1C=CC=C(N1)I MCULE-7962501587 [0,0,0,0,0,0|2,0,2]=4 163 B8R1.4 O=C1C=CNC(=O)C1 MCULE-7422070219 [0,0,0,0,0,0|3,0,1]=4 164 B8R1.4 O=C1C=CNC(=O)O1 MCULE-3791093466 [0,0,0,0,0,0|2,0,1]=3 165 B8R1.4 O=C1C=CNC(=[Se])N1 MCULE-7954757005 [0,0,0,0,0,0|3,0,1]=4 166 B8R1.4 O=C1C=COC(=O)C1 MCULE-9289887221 [0,0,0,0,0,0|3,0,1]=4 167 B8R1.4 O=C1CC(CCN1)F MCULE-3828280868 [0,0,0,0,0,0|3,0,1]=4 168 B8R1.4 O=C1CC(CCN1)F MCULE-8150833328 [0,0,0,0,0,0|3,0,1]=4 169 B8R1.4 O=C1CC(CCN1)O MCULE-5400068518 [0,0,0,0,0,0|3,0,1]=4 170 B8R1.4 O=C1CC(CCN1)O MCULE-8702086069 [0,0,0,0,0,0|3,0,1]=4 171 B8R1.4 O=C1CCCC(=O)O1 MCULE-4866925975 [0,0,0,0,0,0|1,0,3]=4 172 B8R1.4 O=C1CCCC(C1)O MCULE-3100717907 [0,0,0,0,0,0|2,0,2]=4 173 B8R1.4 O=C1CCC[C@@H](C1)O MCULE-3841179351 [0,0,0,0,0,0|2,0,2]=4 174 B8R1.4 O=C1CCNC(=O)O1 MCULE-8298722634 [0,0,0,0,0,0|2,0,2]=4 175 B8R1.4 O=C1COCC(=O)O1 MCULE-7640970930 [0,0,0,0,0,0|2,0,2]=4 176 B8R1.4 O=C1COCC(C1)O MCULE-6056926421 [0,0,0,0,0,0|3,0,1]=4 177 B8R1.4 O=C1CSCC(=O)O1 MCULE-6767203470 [0,0,0,0,0,0|2,0,2]=4 178 B8R1.4 O=C1C[C@@H](CCN1)O MCULE-8279613188 [0,0,0,0,0,0|3,0,1]=4 179 B8R1.4 O=C1C[C@@H](CCN1)O MCULE-9911849866 [0,0,0,0,0,0|3,0,1]=4 180 B8R1.4 O=C1C[C@H](CCN1)O MCULE-3843806479 [0,0,0,0,0,0|3,0,1]=4 181 B8R1.4 O=C1C[C@H](CCN1)O MCULE-9127195212 [0,0,0,0,0,0|3,0,1]=4 182 B8R1.4 O=C1N=CCC(=S)N1 MCULE-8510009070 [0,0,0,0,0,0|3,0,1]=4 183 B8R1.4 [C@@H]1(CCCC(=O)N1)C MCULE-8906937588 [0,0,0,0,0,0|1,0,2]=3 184 B7R1.3 BrC1=CCCCC1 MCULE-6137796305 [1,0,0,0,0,0|2,0,1]=4 185 B7R1.3 BrC1=COCCC1 MCULE-7754503978 [1,0,0,0,0,0|3,0,0]=4 186 B7R1.3 BrC1C=CCCC1 MCULE-1210573604 [1,0,0,0,0,0|2,0,1]=4 187 B7R1.3 C1(CNCCO1)C MCULE-2805380245 [1,0,0,0,0,0|1,0,2]=4 188 B7R1.3 C1(CNCCO1)C MCULE-3532041523 [1,0,0,0,0,0|1,0,2]=4 189 B7R1.3 CC1=CC=CC=C1 MCULE-4817136027 [1,0,0,0,0,0|1,0,2]=4 190 B7R1.3 CC1=CC=CCC1 MCULE-3797800778 [1,0,0,0,0,0|1,0,2]=4 191 B7R1.3 CC1=CCC=CC1 MCULE-8148706670 [1,0,0,0,0,0|1,0,2]=4 192 B7R1.3 CC1=CCCC=C1 MCULE-6224653152 [1,0,0,0,0,0|2,0,0]=3 193 B7R1.3 CC1=CCCCC1 MCULE-2795172496 [1,0,0,0,0,0|2,0,1]=4 194 B7R1.3 CC1=NC=CC=C1 MCULE-3857746542 [1,0,0,0,0,0|1,0,2]=4 195 B7R1.3 CC1=NC=CC=N1 MCULE-4218922171 [1,0,0,0,0,0|2,0,1]=4 196 B7R1.3 CC1C=CCCC1 MCULE-8057302830 [1,0,0,0,0,0|1,0,2]=4 197 B7R1.3 CC1CC=CCC1 MCULE-6343106785 [1,0,0,0,0,0|1,0,1]=3 198 B7R1.3 CC1CCCCO1 MCULE-4439683294 [1,0,0,0,0,0|0,0,3]=4 199 B7R1.3 CC1CCOCO1 MCULE-5013590651 [1,0,0,0,0,0|1,0,2]=4 200 B7R1.3 CC1CNCCO1 MCULE-3071497485 [1,0,0,0,0,0|1,0,2]=4 201 B7R1.3 CC1CNCCO1 MCULE-7956728736 [1,0,0,0,0,0|1,0,2]=4 202 B7R1.3 CN1CC=CCC1 MCULE-1566475259 [1,0,0,0,0,0|2,0,1]=4 203 B7R1.3 CN1CC=CCC1 MCULE-7879022625 [1,0,0,0,0,0|2,0,1]=4 204 B7R1.3 C[C@@H]1CNCCO1 MCULE-1787977539 [1,0,0,0,0,0|1,0,2]=4 205 B7R1.3 C[C@@H]1CNCCO1 MCULE-2608004746 [1,0,0,0,0,0|1,0,2]=4 206 B7R1.3 C[C@@H]1CNCCO1 MCULE-5447097956 [1,0,0,0,0,0|1,0,2]=4 207 B7R1.3 C[C@@H]1CNCCO1 MCULE-9396954187 [1,0,0,0,0,0|1,0,2]=4 208 B7R1.3 C[C@H]1CNCCO1 MCULE-3158147539 [1,0,0,0,0,0|1,0,2]=4 209 B7R1.3 C[C@H]1CNCCO1 MCULE-5193705878 [1,0,0,0,0,0|1,0,2]=4 210 B7R1.3 C[C@H]1CNCCO1 MCULE-8337677707 [1,0,0,0,0,0|1,0,2]=4 211 B7R1.3 C[C@H]1CNCCO1 MCULE-9425432414 [1,0,0,0,0,0|1,0,2]=4 212 B7R1.3 C[N+]1=CC=CC=C1 MCULE-1652210880 [1,0,0,0,0,0|2,0,1]=4 213 B7R1.3 C[N+]1=CC=CC=C1 MCULE-2089781249 [1,0,0,0,0,0|2,0,1]=4 214 B7R1.3 C[N+]1=CC=CC=C1 MCULE-3468210102 [1,0,0,0,0,0|2,0,1]=4 215 B7R1.3 C[N+]1=CC=CC=C1 MCULE-7370907990 [1,0,0,0,0,0|2,0,1]=4 216 B7R1.3 C[N+]1=CC=CC=C1 MCULE-7961589844 [1,0,0,0,0,0|2,0,1]=4 217 B7R1.3 ClC1=CCCCC1 MCULE-6882712527 [1,0,0,0,0,0|2,0,1]=4 218 B7R1.3 ClC1C=CCCC1 MCULE-7233887185 [1,0,0,0,0,0|2,0,1]=4 219 B7R1.3 N=C1NCCCO1 MCULE-4713912893 [1,0,0,0,0,0|2,0,1]=4 220 B7R1.3 NC1=NCCCO1 MCULE-1909217779 [1,0,0,0,0,0|2,0,1]=4 221 B7R1.3 NC1C=CCCC1 MCULE-4482857573 [1,0,0,0,0,0|2,0,1]=4 222 B7R1.3 NC1C=CCCC1 MCULE-5378769676 [1,0,0,0,0,0|2,0,1]=4 223 B7R1.3 NC1CC=CCC1 MCULE-4040563231 [1,0,0,0,0,0|2,0,1]=4 224 B7R1.3 NC1CC=CCC1 MCULE-9904098902 [1,0,0,0,0,0|2,0,1]=4 225 B7R1.3 N[C@@H]1CC=CCC1 MCULE-7764023195 [1,0,0,0,0,0|2,0,1]=4 226 B7R1.3 N[C@@H]1CC=CCC1 MCULE-7983408030 [1,0,0,0,0,0|2,0,1]=4 227 B7R1.3 N[C@H]1CC=CCC1 MCULE-2054948922 [1,0,0,0,0,0|2,0,1]=4 228 B7R1.3 N[C@H]1CC=CCC1 MCULE-6634059436 [1,0,0,0,0,0|2,0,1]=4 229 B7R1.3 O=C1C=CC=CO1 MCULE-1962369480 [1,0,0,0,0,0|0,0,2]=3 230 B7R1.3 O=C1C=CCCC1 MCULE-5207755083 [1,0,0,0,0,0|1,0,0]=2 231 B7R1.3 O=C1C=CCCN1 MCULE-9815380990 [1,0,0,0,0,0|1,0,0]=2 232 B7R1.3 O=C1C=CCCO1 MCULE-2962791770 [1,0,0,0,0,0|0,0,0]=1 233 B7R1.3 O=C1C=CCOC1 MCULE-4817981961 [1,0,0,0,0,0|2,0,0]=3 234 B7R1.3 O=C1C=COC=C1 MCULE-4737810636 [1,0,0,0,0,0|2,0,1]=4 235 B7R1.3 O=C1C=COCC1 MCULE-2954829305 [1,0,0,0,0,0|2,0,0]=3 236 B7R1.3 O=C1C=COCN1 MCULE-7471476237 [1,0,0,0,0,0|2,0,0]=3 237 B7R1.3 O=C1CC=CCN1 MCULE-7370958955 [1,0,0,0,0,0|1,0,2]=4 238 B7R1.3 O=C1CCCCC1 MCULE-5664385838 [1,0,0,0,0,0|1,0,2]=4 239 B7R1.3 O=C1CCCCN1 MCULE-9168245534 [1,0,0,0,0,0|1,0,2]=4 240 B7R1.3 O=C1CCCCO1 MCULE-4682307363 [1,0,0,0,0,0|0,0,2]=3 241 B7R1.3 O=C1CCCCS1 MCULE-5383777119 [1,0,0,0,0,0|0,1,2]=4 242 B7R1.3 O=C1CCCNC1 MCULE-2774326662 [1,0,0,0,0,0|2,0,1]=4 243 B7R1.3 O=C1CCCNC1 MCULE-8149766009 [1,0,0,0,0,0|2,0,1]=4 244 B7R1.3 O=C1CCCOC1 MCULE-5268404224 [1,0,0,0,0,0|2,0,1]=4 245 B7R1.3 O=C1CCCSC1 MCULE-1649390503 [1,0,0,0,0,0|2,0,1]=4 246 B7R1.3 O=C1CNCCN1 MCULE-5599978871 [1,0,0,0,0,0|2,0,1]=4 247 B7R1.3 O=C1CNCCO1 MCULE-2634056082 [1,0,0,0,0,0|1,0,1]=3 248 B7R1.3 O=C1CNCCO1 MCULE-6420255529 [1,0,0,0,0,0|1,0,1]=3 249 B7R1.3 O=C1COCCN1 MCULE-8242898041 [1,0,0,0,0,0|2,0,1]=4 250 B7R1.3 O=C1COCCO1 MCULE-5754504096 [1,0,0,0,0,0|1,0,1]=3 251 B7R1.3 O=C1CSCCN1 MCULE-1492056440 [1,0,0,0,0,0|2,0,1]=4 252 B7R1.3 O=C1NCCCN1 MCULE-4876148406 [1,0,0,0,0,0|2,0,1]=4 253 B7R1.3 O=C1NCCCO1 MCULE-9333383492 [1,0,0,0,0,0|1,0,1]=3 254 B7R1.3 O=C1NNCCO1 MCULE-2913818828 [1,0,0,0,0,0|2,0,0]=3 255 B7R1.3 O=C1OCCCO1 MCULE-7728322911 [1,0,0,0,0,0|1,0,1]=3 256 B7R1.3 O=P1OCCCO1 MCULE-9154920312 [1,0,0,0,0,0|2,0,1]=4 257 B7R1.3 O=S1OCCCO1 MCULE-4755606100 [1,0,0,0,0,0|2,0,1]=4 258 B7R1.3 OC1C=CCCC1 MCULE-3255466542 [1,0,0,0,0,0|1,0,2]=4 259 B7R1.3 OC1CC=CCC1 MCULE-9472259407 [1,0,0,0,0,0|2,0,1]=4 260 B7R1.3 O[C@H]1C=CCCC1 MCULE-5543899109 [1,0,0,0,0,0|1,0,2]=4 261 B7R1.3 S=C1NCCCO1 MCULE-2364674450 [1,0,0,0,0,0|1,1,1]=4 262 B9R1.2 CC1=CC(=CC=C1)C=O MCULE-9886997059 [0,1,0,0,0,0|1,0,2]=4 263 B9R1.2 CC1=CC=CC(=C1)[IH2]=O MCULE-3972071766 [0,1,0,0,0,0|1,0,2]=4 264 B9R1.2 CC1=CC=CC(=C1)[IH2]=O MCULE-6404006838 [0,1,0,0,0,0|1,0,2]=4 265 B9R1.2 CC1=CC=CC(=N1)C=O MCULE-1069687829 [0,1,0,0,0,0|1,0,2]=4 266 B9R1.2 CC1=NC(=CC=N1)C=O MCULE-3321023235 [0,1,0,0,0,0|2,0,1]=4 267 B9R1.2 CC1=NC=CC(=C1)C=O MCULE-2744373449 [0,1,0,0,0,0|2,0,1]=4 268 B9R1.2 CC1=NC=CC(=C1)C=O MCULE-4258015896 [0,1,0,0,0,0|2,0,1]=4 269 B9R1.2 CC1C=C(CCC1)C=O MCULE-8149754044 [0,1,0,0,0,0|1,0,2]=4 270 B9R1.2 CCC1CCCC(=O)C1 MCULE-2309757845 [0,1,0,0,0,0|1,0,2]=4 271 B9R1.2 CCC1CCCC(=O)N1 MCULE-7034650517 [0,1,0,0,0,0|1,0,2]=4 272 B9R1.2 CCC1CCNC(=O)C1 MCULE-7827721769 [0,1,0,0,0,0|2,0,1]=4 273 B9R1.2 CCC1CNCC(=O)N1 MCULE-1768212982 [0,1,0,0,0,0|2,0,1]=4 274 B9R1.2 CCC1COCC(=O)N1 MCULE-1841359305 [0,1,0,0,0,0|2,0,1]=4 275 B9R1.2 CC[C@@H]1CCCC(=O)C1 MCULE-3781767777 [0,1,0,0,0,0|1,0,2]=4 276 B9R1.2 CC[C@@H]1COCC(=O)N1 MCULE-9098123465 [0,1,0,0,0,0|2,0,1]=4 277 B9R1.2 CC[C@H]1CCCC(=O)C1 MCULE-5055612080 [0,1,0,0,0,0|1,0,2]=4 278 B9R1.2 CC[C@H]1CNCC(=O)N1 MCULE-5604046217 [0,1,0,0,0,0|2,0,1]=4 279 B9R1.2 COC1=NC(=O)C=CN1 MCULE-4176859501 [0,1,0,0,0,0|2,0,1]=4 280 B9R1.2 COC1C=CC=C(N1)Br MCULE-7288476271 [0,1,0,0,0,0|2,0,1]=4 281 B9R1.2 COC1CCCC(=O)C1 MCULE-4121364026 [0,1,0,0,0,0|1,0,2]=4 282 B9R1.2 COC1CCCC(=O)N1 MCULE-3771491986 [0,1,0,0,0,0|1,0,2]=4 283 B9R1.2 CSC1=NC=CC(=O)N1 MCULE-9680690573 [0,1,0,0,0,0|2,0,1]=4 284 B9R1.2 CSC1CCCC(=O)C1 MCULE-3076571291 [0,1,0,0,0,0|1,0,2]=4 285 B9R1.2 NC1C=CCC(C1)CO MCULE-6703017968 [0,1,0,0,0,0|2,0,1]=4 286 B9R1.2 NCC1=CC=CC(=O)N1 MCULE-1386831282 [0,1,0,0,0,0|1,0,2]=4 287 B9R1.2 NCC1=CC=CC(=O)N1 MCULE-3025859735 [0,1,0,0,0,0|1,0,2]=4 288 B9R1.2 NCC1=CC=CC(=O)N1 MCULE-8335536241 [0,1,0,0,0,0|1,0,2]=4 289 B9R1.2 NCC1=NC=CC(=O)N1 MCULE-2949674461 [0,1,0,0,0,0|2,0,1]=4 290 B9R1.2 NCC1=NC=CC(=O)N1 MCULE-5370705710 [0,1,0,0,0,0|2,0,1]=4 291 B9R1.2 NCC1CCCC(=O)N1 MCULE-2515108436 [0,1,0,0,0,0|1,0,2]=4 292 B9R1.2 NCC1CCCC(=O)N1 MCULE-2893640240 [0,1,0,0,0,0|1,0,2]=4 293 B9R1.2 NCC1CCCC(=O)N1 MCULE-4568961930 [0,1,0,0,0,0|1,0,2]=4 294 B9R1.2 NCC1CCNC(=O)C1 MCULE-8340928139 [0,1,0,0,0,0|2,0,1]=4 295 B9R1.2 NCC1CCNC(=O)C1 MCULE-9503049309 [0,1,0,0,0,0|2,0,1]=4 296 B9R1.2 NCC1CCNC(=O)N1 MCULE-7299072097 [0,1,0,0,0,0|2,0,1]=4 297 B9R1.2 NCC1CCNC(=O)O1 MCULE-4253031438 [0,1,0,0,0,0|1,0,1]=3 298 B9R1.2 NC[C@H]1CCNC(=O)C1 MCULE-6439919372 [0,1,0,0,0,0|2,0,1]=4 299 B9R1.2 NC[C@H]1CCNC(=O)C1 MCULE-8074777058 [0,1,0,0,0,0|2,0,1]=4 300 B9R1.2 N[C@@H]1C=CC[C@@H](C1)CO MCULE-3596102991 [0,1,0,0,0,0|2,0,1]=4 301 B9R1.2 N[C@@H]1C=CC[C@H](C1)CO MCULE-3339595306 [0,1,0,0,0,0|2,0,1]=4 302 B9R1.2 N[C@H]1C=CC[C@@H](C1)CO MCULE-1352423223 [0,1,0,0,0,0|2,0,1]=4 303 B9R1.2 N[C@H]1C=CC[C@H](C1)CO MCULE-4606335241 [0,1,0,0,0,0|2,0,1]=4 304 B9R1.2 O=C1C=CN=C(N1)CCl MCULE-3488826665 [0,1,0,0,0,0|2,0,1]=4 305 B9R1.2 O=C1CC(CCN1)CBr MCULE-5514747029 [0,1,0,0,0,0|2,0,1]=4 306 B9R1.2 O=C1CC(CCN1)CO MCULE-9526076179 [0,1,0,0,0,0|2,0,1]=4 307 B9R1.2 O=C1CCCC(C1)CF MCULE-4859859394 [0,1,0,0,0,0|1,0,2]=4 308 B9R1.2 O=C1CCCC(C1)CO MCULE-5732276352 [0,1,0,0,0,0|1,0,2]=4 309 B9R1.2 O=C1CCCC(N1)CO MCULE-6546170250 [0,1,0,0,0,0|1,0,2]=4 310 B9R1.2 O=C1CCC[C@@H](N1)CO MCULE-6845836782 [0,1,0,0,0,0|1,0,2]=4 311 B9R1.2 O=C1CCC[C@H](C1)CO MCULE-7659844168 [0,1,0,0,0,0|1,0,2]=4 312 B9R1.2 O=C1CCC[C@H](N1)CO MCULE-2745722091 [0,1,0,0,0,0|1,0,2]=4 313 B9R1.2 O=C1CCC[C@H](N1)CO MCULE-3358051383 [0,1,0,0,0,0|1,0,2]=4 314 B9R1.2 O=C1CNC[C@H](N1)CO MCULE-7459264375 [0,1,0,0,0,0|2,0,1]=4 315 B9R1.2 O=C1COCC(N1)CO MCULE-2108098178 [0,1,0,0,0,0|2,0,1]=4 316 B9R1.2 O=C1COC[C@@H](N1)CO MCULE-1640734818 [0,1,0,0,0,0|2,0,1]=4 317 B9R1.2 O=C1COC[C@@H](N1)CO MCULE-6633625871 [0,1,0,0,0,0|2,0,1]=4 318 B9R1.2 O=C1C[C@H](CCN1)CO MCULE-5682710079 [0,1,0,0,0,0|2,0,1]=4 319 B9R1.2 O=S1OCCC(O1)CCl MCULE-2917940908 [0,1,0,0,0,0|2,0,1]=4 320 B9R1.2 OC[C@H]1CC=C[C@H](C1)O MCULE-2033409261 [0,1,0,0,0,0|1,0,2]=4 321 B9R1.3 CC1=C(C(=O)C=CN1)C MCULE-5006486359 [0,1,0,0,0,0|2,0,1]=4 322 B9R1.3 CC1=C(C(=O)C=CN1)O MCULE-4746579757 [0,1,0,0,0,0|2,0,1]=4 323 B9R1.3 CC1=C(C(=O)C=CO1)O MCULE-2376032845 [0,1,0,0,0,0|2,0,1]=4 324 B9R1.3 CC1=NC=CC(=O)C1O MCULE-8072640255 [0,1,0,0,0,0|2,0,1]=4 325 B9R1.3 CC1CCCC(=O)C1=O MCULE-3677088238 [0,1,0,0,0,0|1,0,2]=4 326 B9R1.3 CC1CCCC(=O)C1C MCULE-1705022712 [0,1,0,0,0,0|1,0,2]=4 327 B9R1.3 CC1CCNC(=O)C1N MCULE-8466322754 [0,1,0,0,0,0|2,0,1]=4 328 B9R1.3 CC1CNCC(=O)N1C MCULE-6146515954 [0,1,0,0,0,0|2,0,1]=4 329 B9R1.3 CC1CNCC(=O)N1C MCULE-6324850501 [0,1,0,0,0,0|2,0,1]=4 330 B9R1.3 CC1OC=CC(=O)C1=O MCULE-7675608776 [0,1,0,0,0,0|2,0,0]=3 331 B9R1.3 C[C@@H]1CNCC(=O)N1C MCULE-2631912609 [0,1,0,0,0,0|2,0,1]=4 332 B9R1.3 C[C@@H]1CNCC(=O)N1C MCULE-3626784899 [0,1,0,0,0,0|2,0,1]=4 333 B9R1.3 C[C@@H]1CNCC(=O)N1C MCULE-5129830315 [0,1,0,0,0,0|2,0,1]=4 334 B9R1.3 C[C@@H]1CNCC(=O)N1C MCULE-9747041418 [0,1,0,0,0,0|2,0,1]=4 335 B9R1.3 C[C@H]1CNCC(=O)N1C MCULE-1364393332 [0,1,0,0,0,0|2,0,1]=4 336 B9R1.3 C[C@H]1CNCC(=O)N1C MCULE-4965977180 [0,1,0,0,0,0|2,0,1]=4 337 B9R1.3 C[C@H]1CNCC(=O)N1C MCULE-5863604180 [0,1,0,0,0,0|2,0,1]=4 338 B9R1.3 C[C@H]1CNCC(=O)N1C MCULE-8897457682 [0,1,0,0,0,0|2,0,1]=4 339 B9R1.34 CC1=CC(=CC(=O)N1)Br MCULE-8208292456 [0,1,0,0,0,0|1,0,2]=4 340 B9R1.34 CC1=CC(=CC(=O)N1)Cl MCULE-9615445068 [0,1,0,0,0,0|1,0,2]=4 341 B9R1.34 CC1=CC(=CC(=O)N1)O MCULE-9810636783 [0,1,0,0,0,0|1,0,2]=4 342 B9R1.34 CC1=CC(=CC(=O)O1)Br MCULE-2988778440 [0,1,0,0,0,0|0,0,2]=3 343 B9R1.34 CC1=CC(=CC(=O)O1)Cl MCULE-3416788222 [0,1,0,0,0,0|0,0,2]=3 344 B9R1.34 CC1=CC(=CC(=O)O1)N MCULE-7615332536 [0,1,0,0,0,0|0,0,2]=3 345 B9R1.34 CC1=CC(=CC(=O)O1)N MCULE-9405603947 [0,1,0,0,0,0|0,0,2]=3 346 B9R1.34 CC1=CC(=CC(=O)O1)O MCULE-4178961944 [0,1,0,0,0,0|0,0,2]=3 347 B9R1.34 CC1=CC(=O)C=C(N1)C MCULE-9549005978 [0,1,0,0,0,0|2,0,1]=4 348 B9R1.34 CC1=CC(=O)C=C(O1)C MCULE-5402949310 [0,1,0,0,0,0|1,0,2]=4 349 B9R1.34 CC1=CC(=O)C=C(O1)O MCULE-3917877384 [0,1,0,0,0,0|0,0,3]=4 350 B9R1.34 CC1=CC(=O)CC(=O)O1 MCULE-2238720534 [0,1,0,0,0,0|0,0,3]=4 351 B9R1.34 CC1=CC(=O)CC(C1)C MCULE-4391727742 [0,1,0,0,0,0|1,0,0]=2 352 B9R1.34 CC1=CC(=O)NC(=C1)C MCULE-3175630656 [0,1,0,0,0,0|1,0,2]=4 353 B9R1.34 CC1=CC(=O)OC(=C1)C MCULE-1005897114 [0,1,0,0,0,0|0,0,2]=3 354 B9R1.34 CC1=CC(=O)OC(=O)N1 MCULE-4319728701 [0,1,0,0,0,0|2,0,1]=4 355 B9R1.34 CC1=CC(=S)C=C(O1)C MCULE-2978490882 [0,1,0,0,0,0|1,0,2]=4 356 B9R1.34 CC1=CC(CC(=O)C1)C MCULE-3058901389 [0,1,0,0,0,0|1,0,2]=4 357 B9R1.34 CC1=NC(=CC(=O)N1)N MCULE-8442084767 [0,1,0,0,0,0|2,0,1]=4 358 B9R1.34 CC1CC(=CC(=O)O1)O MCULE-3566980219 [0,1,0,0,0,0|0,0,0]=1 359 B9R1.34 CC1CC(=O)C=C(C1)N MCULE-4451452781 [0,1,0,0,0,0|1,0,0]=2 360 B9R1.34 CC1CC(=O)CC(=O)C1 MCULE-9077952779 [0,1,0,0,0,0|1,0,1]=3 361 B9R1.34 CC1CC(=O)CC(=O)N1 MCULE-4178844211 [0,1,0,0,0,0|1,0,1]=3 362 B9R1.34 CC1CC(=O)CC(=O)O1 MCULE-8800349509 [0,1,0,0,0,0|0,0,1]=2 363 B9R1.34 CC1CC(=O)CC(C1)C MCULE-7560602452 [0,1,0,0,0,0|1,0,2]=4 364 B9R1.34 CC1CC(=O)CC(O1)C MCULE-3466195629 [0,1,0,0,0,0|1,0,2]=4 365 B9R1.34 CC1CC(=O)NC(=O)N1 MCULE-2066103800 [0,1,0,0,0,0|2,0,0]=3 366 B9R1.34 CC1CC(=O)NC(=S)N1 MCULE-3560554851 [0,1,0,0,0,0|2,1,0]=4 367 B9R1.34 CC1CC(=O)OC(=O)C1 MCULE-7493778576 [0,1,0,0,0,0|2,0,0]=3 368 B9R1.34 CN1CC(=O)NC(=O)C1 MCULE-9312522895 [0,1,0,0,0,0|3,0,0]=4 369 B9R1.34 CN1CC(=O)OC(=O)C1 MCULE-5682675378 [0,1,0,0,0,0|3,0,0]=4 370 B9R1.34 C[C@@H]1CC(=O)C[C@H](O1)C MCULE-7023432709 [0,1,0,0,0,0|1,0,2]=4 371 B9R1.34 C[C@H]1CC(=O)CC(=O)N1 MCULE-6238430821 [0,1,0,0,0,0|1,0,1]=3 372 B9R1.34 C[C@H]1CC(=O)C[C@H](O1)C MCULE-6710108830 [0,1,0,0,0,0|1,0,2]=4 373 B9R1.34 NC1CC(=O)NC(=O)C1 MCULE-6382091482 [0,1,0,0,0,0|3,0,0]=4 374 B9R1.34 NC1CC(=O)NC(=O)C1 MCULE-9933185634 [0,1,0,0,0,0|3,0,0]=4 375 B9R1.34 O=C1CC(=O)OC(=O)C1 MCULE-9015105238 [0,1,0,0,0,0|1,0,2]=4 376 B9R1.66 CC1(C=COC(=O)C1)C MCULE-6876256388 [0,1,0,0,0,0|2,0,1]=4 377 B9R1.66 CC1(CC=CC(=O)C1)C MCULE-3774162320 [0,1,0,0,0,0|1,0,0]=2 378 B9R1.66 CC1(CCCC(=O)C1)C MCULE-5947496314 [0,1,0,0,0,0|1,0,2]=4 379 B9R1.66 CC1(CCCC(=O)N1)C MCULE-9506005736 [0,1,0,0,0,0|1,0,2]=4 380 B9R1.66 CC1(CCNC(=O)C1)C MCULE-5703517542 [0,1,0,0,0,0|2,0,1]=4 381 B9R1.66 CC1(CCOC(=O)C1)C MCULE-4727187858 [0,1,0,0,0,0|2,0,1]=4 382 B9R1.66 CC1(CCOC(=O)C1)O MCULE-5265065779 [0,1,0,0,0,0|2,0,1]=4 383 B9R1.66 CC1(CCOS(=O)O1)C MCULE-7552644708 [0,1,0,0,0,0|2,0,1]=4 384 B9R1.66 CC1(CNCC(=O)N1)C MCULE-1640277430 [0,1,0,0,0,0|2,0,1]=4 385 B9R1.66 CC1(CNCC(=O)N1)C MCULE-6894196220 [0,1,0,0,0,0|2,0,1]=4 386 B9R1.66 CC1(COCC(=O)C1)C MCULE-9899246450 [0,1,0,0,0,0|2,0,1]=4 387 B9R1.66 CC1(COCC(=O)N1)C MCULE-4764218630 [0,1,0,0,0,0|2,0,1]=4 388 B9R1.66 CC1(CSCC(=O)C1)C MCULE-2479165636 [0,1,0,0,0,0|2,0,1]=4 389 B9R1.66 CC1CCOS(=O)(=O)O1 MCULE-9717144678 [0,1,0,0,0,0|2,0,1]=4 390 B9R1.66 C[C@]1(CCOC(=O)C1)O MCULE-9416165586 [0,1,0,0,0,0|2,0,1]=4 391 B9R1.69 CC1=C(C=CC(=O)N1)Br MCULE-4521117941 [0,1,0,0,0,0|1,0,2]=4 392 B9R1.69 CC1=C(C=CC(=O)N1)F MCULE-7194077740 [0,1,0,0,0,0|1,0,2]=4 393 B9R1.69 CC1=C(C=CC(=O)N1)I MCULE-5617997142 [0,1,0,0,0,0|1,0,2]=4 394 B9R1.69 CC1=C(NC(=O)C=C1)C MCULE-4420397888 [0,1,0,0,0,0|1,0,2]=4 395 B9R1.69 CC1=CC(=O)C(=CN1)O MCULE-1538839877 [0,1,0,0,0,0|2,0,1]=4 396 B9R1.69 CC1=CC(=O)C(=CO1)O MCULE-1008730092 [0,1,0,0,0,0|2,0,1]=4 397 B9R1.69 CC1=CC(=O)C=CC1=O MCULE-9650878933 [0,1,0,0,0,0|1,0,2]=4 398 B9R1.69 CC1=CC=C(C(=O)N1)Cl MCULE-5441621395 [0,1,0,0,0,0|1,0,2]=4 399 B9R1.69 CC1=CC=C(C(=O)N1)N MCULE-6572218746 [0,1,0,0,0,0|1,0,2]=4 400 B9R1.69 CC1=CNC(=NC1=O)C MCULE-3546851335 [0,1,0,0,0,0|2,0,1]=4 401 B9R1.69 CC1=NC=C(C(=O)N1)F MCULE-6156802397 [0,1,0,0,0,0|2,0,1]=4 402 B9R1.69 CC1=NC=C(C(=O)N1)I MCULE-9280509199 [0,1,0,0,0,0|2,0,1]=4 403 B9R1.69 CC1CC(=O)CCC1O MCULE-7552412875 [0,1,0,0,0,0|1,0,2]=4 404 B9R1.69 CC1CCC(=O)CC1C MCULE-5304188182 [0,1,0,0,0,0|1,0,2]=4 405 B9R1.69 CC1CCC(C(=O)C1)C MCULE-1189470004 [0,1,0,0,0,0|1,0,2]=4 406 B9R1.69 CC1CCC(C(=O)N1)N MCULE-4681937866 [0,1,0,0,0,0|1,0,2]=4 407 B9R1.69 CC1CNC(=O)C(O1)C MCULE-2957841626 [0,1,0,0,0,0|2,0,1]=4 408 B9R1.69 CC1NC(=O)CCC1N MCULE-2884344617 [0,1,0,0,0,0|1,0,2]=4 409 B9R1.69 CC1NC(=O)CCC1O MCULE-3879531993 [0,1,0,0,0,0|1,0,2]=4 410 B9R1.69 CC1OC(=O)COC1=O MCULE-8718960339 [0,1,0,0,0,0|1,0,2]=4 411 B9R1.69 C[C@@H]1CC(=O)CC[C@@H]1O MCULE-8675773780 [0,1,0,0,0,0|1,0,2]=4 412 B9R1.69 C[C@@H]1NC[C@H](NC1=O)C MCULE-1197510372 [0,1,0,0,0,0|2,0,1]=4 413 B9R1.69 C[C@@H]1NC[C@H](NC1=O)C MCULE-1474096689 [0,1,0,0,0,0|2,0,1]=4 414 B9R1.69 C[C@@H]1NC[C@H](NC1=O)C MCULE-4763044155 [0,1,0,0,0,0|2,0,1]=4 415 B9R1.69 C[C@@H]1NC[C@H](NC1=O)C MCULE-8537746266 [0,1,0,0,0,0|2,0,1]=4 416 B9R1.69 C[C@H]1CC(=O)CC[C@@H]1O MCULE-5873948412 [0,1,0,0,0,0|1,0,2]=4 417 B7R0.2 C#CC(=O)OC(C)C MCULE-2260869211 [0,0,1,0,0,0|0,0,2]=3 418 B7R0.2 C=C(C)CC(C)CC MCULE-1001667584 [0,0,1,0,0,0|2,0,1]=4 419 B7R0.2 C=CC(=O)C=C(C)C MCULE-3761351531 [0,0,1,0,0,0|1,0,1]=3 420 B7R0.2 C=CC(=O)CC(C)C MCULE-2912404970 [0,0,1,0,0,0|1,0,0]=2 421 B7R0.2 C=CC(=O)NC(C)C MCULE-1145721543 [0,0,1,0,0,0|1,0,0]=2 422 B7R0.2 C=CC(=O)OC(C)C MCULE-8852781082 [0,0,1,0,0,0|0,0,0]=1 423 B7R0.2 C=CC(C)CC(=O)O MCULE-4817084034 [0,0,1,0,0,0|2,0,1]=4 424 B7R0.2 C=CC(C)CC(C)C MCULE-9111388336 [0,0,1,0,0,0|2,0,1]=4 425 B7R0.2 C=CC(C)OC(=O)C MCULE-9221300039 [0,0,1,0,0,0|0,0,2]=3 426 B7R0.2 C=CC(O)CC(C)C MCULE-7389371130 [0,0,1,0,0,0|1,0,2]=4 427 B7R0.2 CC(=O)NC(C)CN MCULE-4226474809 [0,0,1,0,0,0|2,0,1]=4 428 B7R0.2 CC(=O)NC(C)CN MCULE-7570690280 [0,0,1,0,0,0|2,0,1]=4 429 B7R0.2 CC(=O)NC(C)CO MCULE-9455210462 [0,0,1,0,0,0|2,0,1]=4 430 B7R0.2 CC(=O)N[C@H](C)CO MCULE-2174899443 [0,0,1,0,0,0|2,0,1]=4 431 B7R0.2 CC(=O)N[C@H](C)CO MCULE-5097293473 [0,0,1,0,0,0|2,0,1]=4 432 B7R0.2 CC(=O)OC(Br)CBr MCULE-7215936142 [0,0,1,0,0,0|2,0,1]=4 433 B7R0.2 CC(C)CC(=O)C#N MCULE-7628756423 [0,0,1,0,0,0|2,0,1]=4 434 B7R0.2 CC(C)CC(=O)CBr MCULE-3556695745 [0,0,1,0,0,0|2,0,1]=4 435 B7R0.2 CC(C)CC(=O)CCl MCULE-6858533367 [0,0,1,0,0,0|2,0,1]=4 436 B7R0.2 CC(C)CC(=O)CN MCULE-2435223768 [0,0,1,0,0,0|2,0,1]=4 437 B7R0.2 CC(C)CC(=O)CN MCULE-7131454463 [0,0,1,0,0,0|2,0,1]=4 438 B7R0.2 CC(C)CC(=O)NN MCULE-7719387931 [0,0,1,0,0,0|3,0,0]=4 439 B7R0.2 CC(C)NC(=O)CBr MCULE-1272363222 [0,0,1,0,0,0|2,0,1]=4 440 B7R0.2 CC(C)NC(=O)CCl MCULE-8342964960 [0,0,1,0,0,0|2,0,1]=4 441 B7R0.2 CC(C)NC(=O)CI MCULE-8316056040 [0,0,1,0,0,0|2,0,1]=4 442 B7R0.2 CC(C)NC(=O)CN MCULE-7188824856 [0,0,1,0,0,0|2,0,1]=4 443 B7R0.2 CC(C)NC(=O)CN MCULE-8867435369 [0,0,1,0,0,0|2,0,1]=4 444 B7R0.2 CC(C)NC(=O)CO MCULE-5386700783 [0,0,1,0,0,0|2,0,1]=4 445 B7R0.2 CC(C)OC(=O)CBr MCULE-1610339208 [0,0,1,0,0,0|1,0,1]=3 446 B7R0.2 CC(C)OC(=O)CCl MCULE-3017211046 [0,0,1,0,0,0|1,0,1]=3 447 B7R0.2 CC(C)OC(=O)CN MCULE-4475626262 [0,0,1,0,0,0|1,0,1]=3 448 B7R0.2 CC(C)OC(=O)CN MCULE-5696337645 [0,0,1,0,0,0|1,0,1]=3 449 B7R0.2 CC(C)OC(=O)CO MCULE-4694316703 [0,0,1,0,0,0|1,0,1]=3 450 B7R0.2 CC(C)OC(=O)CS MCULE-5298940210 [0,0,1,0,0,0|1,0,1]=3 451 B7R0.2 CC(C)OC(=O)NN MCULE-5311288998 [0,0,1,0,0,0|2,0,0]=3 452 B7R0.2 CC(CCl)CC(=O)Cl MCULE-3163826919 [0,0,1,0,0,0|3,0,0]=4 453 B7R0.2 CC(CCl)OC(=O)N MCULE-7734729292 [0,0,1,0,0,0|2,0,0]=3 454 B7R0.2 CC(CN)CC(=O)O MCULE-1594242184 [0,0,1,0,0,0|3,0,0]=4 455 B7R0.2 CC(CN)CC(=O)O MCULE-8074816359 [0,0,1,0,0,0|3,0,0]=4 456 B7R0.2 CCC(=O)CC(C)C MCULE-8378320990 [0,0,1,0,0,0|1,0,2]=4 457 B7R0.2 CCC(=O)NC(C)C MCULE-3565002235 [0,0,1,0,0,0|1,0,2]=4 458 B7R0.2 CCC(=O)OC(C)C MCULE-6546381101 [0,0,1,0,0,0|0,0,2]=3 459 B7R0.2 CCC(C)CC(=O)C MCULE-5801548800 [0,0,1,0,0,0|1,0,2]=4 460 B7R0.2 CCC(C)CC(=O)Cl MCULE-3063561496 [0,0,1,0,0,0|2,0,1]=4 461 B7R0.2 CCC(C)CC(=O)O MCULE-3409782202 [0,0,1,0,0,0|2,0,1]=4 462 B7R0.2 CCC(C)CC(=O)O MCULE-6537278030 [0,0,1,0,0,0|2,0,1]=4 463 B7R0.2 CCC(C)NC(=O)N MCULE-6186330882 [0,0,1,0,0,0|2,0,1]=4 464 B7R0.2 CCC(C)OC(=O)C MCULE-8410375215 [0,0,1,0,0,0|0,0,2]=3 465 B7R0.2 CCC(C)OC(=O)Cl MCULE-1512790698 [0,0,1,0,0,0|1,0,1]=3 466 B7R0.2 CCC(C)SC(=O)Cl MCULE-4681925921 [0,0,1,0,0,0|1,1,1]=4 467 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-5550070887 [0,0,1,0,0,0|2,0,1]=4 468 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-9572363620 [0,0,1,0,0,0|2,0,1]=4 469 B7R0.2 CC[C@H](C)CC(=O)O MCULE-4177365854 [0,0,1,0,0,0|2,0,1]=4 470 B7R0.2 CC[C@H](C)CC(=O)O MCULE-5173108207 [0,0,1,0,0,0|2,0,1]=4 471 B7R0.2 CNC(=O)CC(C)C MCULE-2303112628 [0,0,1,0,0,0|2,0,1]=4 472 B7R0.2 COC(=O)CC(C)C MCULE-2808202854 [0,0,1,0,0,0|2,0,1]=4 473 B7R0.2 COC(=O)NC(C)C MCULE-4552685948 [0,0,1,0,0,0|2,0,1]=4 474 B7R0.2 COC(=O)OC(C)C MCULE-4462394604 [0,0,1,0,0,0|1,0,1]=3 475 B7R0.2 COC(=O)SC(C)C MCULE-9908884347 [0,0,1,0,0,0|1,1,1]=4 476 B7R0.2 CSC(=O)CC(C)C MCULE-5433173038 [0,0,1,0,0,0|2,0,1]=4 477 B7R0.2 C[C@H](CN)CC(=O)O MCULE-4808630217 [0,0,1,0,0,0|3,0,0]=4 478 B7R0.2 C[C@H](CN)CC(=O)O MCULE-5474405940 [0,0,1,0,0,0|3,0,0]=4 479 B7R0.4 C(=C/C(=O)O)\CCC MCULE-7580507705 [0,0,1,0,0,0|0,0,0]=1 480 B7R0.4 C(=C/CC(=O)O)\CC MCULE-2731794411 [0,0,1,0,0,0|0,0,2]=3 481 B7R0.4 C/C=C/C=C/C(=O)O MCULE-5933850278 [0,0,1,0,0,0|0,0,2]=3 482 B7R0.4 C/C=C/C=C/C(=O)[O-] MCULE-2438491537 [0,0,1,0,0,0|0,0,3]=4 483 B7R0.4 C/C=C/C=C/C(=O)[O-] MCULE-8550303604 [0,0,1,0,0,0|0,0,3]=4 484 B7R0.4 C/C=C/C=C\C(=O)O MCULE-3744855708 [0,0,1,0,0,0|0,0,2]=3 485 B7R0.4 C=CCCCC(C)O MCULE-6692920526 [0,0,1,0,0,0|1,0,2]=4 486 B7R0.4 CC(C)CCCC=O MCULE-2846844109 [0,0,1,0,0,0|1,0,2]=4 487 B7R0.4 CC(C)CCOC=O MCULE-3671444552 [0,0,1,0,0,0|2,0,1]=4 488 B7R0.4 CC=CC=CC(=O)C MCULE-1781846029 [0,0,1,0,0,0|1,0,2]=4 489 B7R0.4 CC=CC=CC(=O)Cl MCULE-7711381941 [0,0,1,0,0,0|1,0,2]=4 490 B7R0.4 CC=CC=CC(=O)O MCULE-9397415946 [0,0,1,0,0,0|0,0,2]=3 491 B7R0.4 CC=CC=CC(=O)[O-] MCULE-4983552708 [0,0,1,0,0,0|0,0,3]=4 492 B7R0.4 CC=CC=CC(=O)[O-] MCULE-7794252065 [0,0,1,0,0,0|0,0,3]=4 493 B7R0.4 CCC/C=C/B(O)O MCULE-9613885434 [0,0,1,0,0,0|1,0,1]=3 494 B7R0.4 CCC/C=C/C(=O)C MCULE-2005171902 [0,0,1,0,0,0|1,0,0]=2 495 B7R0.4 CCC=CCC(=O)O MCULE-5031939966 [0,0,1,0,0,0|0,0,2]=3 496 B7R0.4 CCC=CCC(C)C MCULE-6798729321 [0,0,1,0,0,0|2,0,1]=4 497 B7R0.4 CCCC#CC(=O)O MCULE-1682387091 [0,0,1,0,0,0|0,0,2]=3 498 B7R0.4 CCCC=CB(O)O MCULE-4057687975 [0,0,1,0,0,0|1,0,1]=3 499 B7R0.4 CCCC=CC(=O)C MCULE-5008490883 [0,0,1,0,0,0|1,0,0]=2 500 B7R0.4 CCCC=CC(=O)Cl MCULE-6782906777 [0,0,1,0,0,0|1,0,0]=2 501 B7R0.4 CCCC=CC(=O)O MCULE-6995077492 [0,0,1,0,0,0|0,0,0]=1 502 B7R0.4 CCCC=CC(C)C MCULE-6546702510 [0,0,1,0,0,0|2,0,1]=4 503 B7R0.4 CCCCCC(=O)C MCULE-6017828463 [0,0,1,0,0,0|1,0,2]=4 504 B7R0.4 CCCCCC(=O)Cl MCULE-5446850478 [0,0,1,0,0,0|1,0,2]=4 505 B7R0.4 CCCCCC(=O)N MCULE-3215992514 [0,0,1,0,0,0|1,0,2]=4 506 B7R0.4 CCCCCC(=O)O MCULE-1671810139 [0,0,1,0,0,0|0,0,2]=3 507 B7R0.4 CCCCCC(=O)[O-] MCULE-5310584661 [0,0,1,0,0,0|0,0,3]=4 508 B7R0.4 CCCCCC(=O)[O-] MCULE-9495078126 [0,0,1,0,0,0|0,0,3]=4 509 B7R0.4 CCCCNC(=O)C MCULE-7266335096 [0,0,1,0,0,0|2,0,1]=4 510 B7R0.4 CCCCNC(=O)Cl MCULE-2148016012 [0,0,1,0,0,0|2,0,1]=4 511 B7R0.4 CCCCNC(=O)N MCULE-3263036294 [0,0,1,0,0,0|2,0,1]=4 512 B7R0.4 CCCCOC(=O)C MCULE-2107021121 [0,0,1,0,0,0|2,0,1]=4 513 B7R0.4 CCCCOC(=O)Cl MCULE-5750652482 [0,0,1,0,0,0|2,0,1]=4 514 B7R0.4 CCCCOC(=O)N MCULE-7719579696 [0,0,1,0,0,0|2,0,1]=4 515 B7R0.4 CCCCSC(=O)C MCULE-2653182488 [0,0,1,0,0,0|2,0,1]=4 516 B7R0.4 CCCCSC(=O)Cl MCULE-8008254909 [0,0,1,0,0,0|2,0,1]=4 517 B7R0.4 CCCNCC(=O)N MCULE-2330202708 [0,0,1,0,0,0|2,0,1]=4 518 B7R0.4 CCCNCC(=O)N MCULE-3731054780 [0,0,1,0,0,0|2,0,1]=4 519 B7R0.4 CCCNCC(=O)O MCULE-4384128915 [0,0,1,0,0,0|1,0,1]=3 520 B7R0.4 CCCNCC(=O)O MCULE-7537317046 [0,0,1,0,0,0|1,0,1]=3 521 B7R0.4 CCCOCC(=O)O MCULE-6841640058 [0,0,1,0,0,0|1,0,1]=3 522 B7R0.4 CCCSCC(=O)C MCULE-8321448629 [0,0,1,0,0,0|2,0,1]=4 523 B7R0.4 CCCSCC(=O)O MCULE-7463688573 [0,0,1,0,0,0|1,0,1]=3 524 B7R0.4 CCNCCC(=O)O MCULE-4226597657 [0,0,1,0,0,0|1,0,2]=4 525 B7R0.4 CCNCCC(=O)O MCULE-9183951914 [0,0,1,0,0,0|1,0,2]=4 526 B7R0.4 CCO/C=C/C(=N)N MCULE-5385104731 [0,0,1,0,0,0|3,0,0]=4 527 B7R0.4 CCO/C=C/C(=N)N MCULE-9722827005 [0,0,1,0,0,0|3,0,0]=4 528 B7R0.4 CCO/C=C/C(=O)Cl MCULE-5623807124 [0,0,1,0,0,0|2,0,0]=3 529 B7R0.4 CCO/C=C/C(=O)O MCULE-6712227034 [0,0,1,0,0,0|1,0,0]=2 530 B7R0.4 CCOC=CB(O)O MCULE-6808942248 [0,0,1,0,0,0|2,0,1]=4 531 B7R0.4 CCOC=CC(=O)Cl MCULE-1242349133 [0,0,1,0,0,0|2,0,0]=3 532 B7R0.4 CCOC=CC(=O)O MCULE-4776715351 [0,0,1,0,0,0|1,0,0]=2 533 B7R0.4 CCOCCC(=O)O MCULE-3962084059 [0,0,1,0,0,0|1,0,2]=4 534 B7R0.4 CCSCCC(=O)O MCULE-9385724904 [0,0,1,0,0,0|1,0,2]=4 535 B7R0.4 CNCCCC(=O)O MCULE-7598762485 [0,0,1,0,0,0|1,0,2]=4 536 B7R0.4 CNCCCC(=O)O MCULE-7877286915 [0,0,1,0,0,0|1,0,2]=4 537 B7R0.4 COC/C=C/C(=O)O MCULE-7555080897 [0,0,1,0,0,0|1,0,0]=2 538 B7R0.4 COCC#CC(=O)O MCULE-5896712747 [0,0,1,0,0,0|1,0,2]=4 539 B7R0.4 COCC=CC(=O)O MCULE-5702384430 [0,0,1,0,0,0|1,0,0]=2 540 B7R0.4 COCCCC(=O)O MCULE-3165881573 [0,0,1,0,0,0|1,0,2]=4 541 B7R0.4 CSCC=CC(=O)O MCULE-8220760222 [0,0,1,0,0,0|1,0,0]=2 542 B7R0.4 CSCCCC(=O)O MCULE-2126637794 [0,0,1,0,0,0|1,0,2]=4 543 B7R0.4 NCCCCC(=O)O MCULE-1155829905 [0,0,1,0,0,0|1,0,2]=4 544 B7R0.4 NCCCCC(=O)O MCULE-3920398524 [0,0,1,0,0,0|1,0,2]=4 545 B7R0.4 NCCCCC(=O)O MCULE-4404796498 [0,0,1,0,0,0|1,0,2]=4 546 B7R0.4 NCCCCC(=O)O MCULE-4971679857 [0,0,1,0,0,0|1,0,2]=4 547 B7R0.4 NCCNCC(=O)O MCULE-9689592343 [0,0,1,0,0,0|2,0,1]=4 548 B7R0.4 NCCNCC(=O)O MCULE-9795251557 [0,0,1,0,0,0|2,0,1]=4 549 B7R0.4 NCCOCC(=O)O MCULE-2375694645 [0,0,1,0,0,0|2,0,1]=4 550 B7R0.4 NCCOCC(=O)O MCULE-5877065986 [0,0,1,0,0,0|2,0,1]=4 551 B7R0.4 NCCSCC(=O)O MCULE-5565800206 [0,0,1,0,0,0|2,0,1]=4 552 B7R0.4 NCCSCC(=O)O MCULE-8322098978 [0,0,1,0,0,0|2,0,1]=4 553 B7R0.4 O=C(O)C#CCCO MCULE-5211042941 [0,0,1,0,0,0|1,0,2]=4 554 B7R0.4 O=C(O)CCCCBr MCULE-2655919094 [0,0,1,0,0,0|1,0,2]=4 555 B7R0.4 O=C(O)CCCCCl MCULE-4094641005 [0,0,1,0,0,0|1,0,2]=4 556 B7R0.4 O=C(O)CCCCO MCULE-8816195933 [0,0,1,0,0,0|1,0,2]=4 557 B7R0.4 O=C(O)CCCCS MCULE-2427465795 [0,0,1,0,0,0|1,0,2]=4 558 B7R0.4 O=C(O)CNCCO MCULE-7501311949 [0,0,1,0,0,0|2,0,1]=4 559 B7R0.4 O=C(O)COCCBr MCULE-4593325557 [0,0,1,0,0,0|2,0,1]=4 560 B7R0.4 O=C(O)COCCCl MCULE-2978816248 [0,0,1,0,0,0|2,0,1]=4 561 B7R0.4 O=C(O)COCCF MCULE-9820799514 [0,0,1,0,0,0|2,0,1]=4 562 B7R0.4 O=C(O)COCCO MCULE-8297137880 [0,0,1,0,0,0|2,0,1]=4 563 B7R0.4 O=C(O)CSCCCl MCULE-5204967583 [0,0,1,0,0,0|2,0,1]=4 564 B7R0.4 O=C(O)CSCCO MCULE-1062560307 [0,0,1,0,0,0|2,0,1]=4 565 B7R0.7 C#CCC(=O)OCC MCULE-2012473321 [0,0,1,0,0,0|0,0,3]=4 566 B7R0.7 C/C=C/C(=O)N=C=S MCULE-1051826106 [0,0,1,0,0,0|2,0,1]=4 567 B7R0.7 C/C=C/C(=O)OCC MCULE-8433823264 [0,0,1,0,0,0|0,0,0]=1 568 B7R0.7 C=C(OCC)OCC MCULE-5191107236 [0,0,1,0,0,0|2,0,1]=4 569 B7R0.7 C=C=CC(=O)OCC MCULE-9108726418 [0,0,1,0,0,0|0,0,2]=3 570 B7R0.7 C=CCC(=O)OCC MCULE-2006542536 [0,0,1,0,0,0|0,0,2]=3 571 B7R0.7 C=CCC(O)CC=C MCULE-5356579850 [0,0,1,0,0,0|3,0,0]=4 572 B7R0.7 C=CCN(C)CC=C MCULE-5051481912 [0,0,1,0,0,0|3,0,0]=4 573 B7R0.7 C=COC(=O)/C=C/C MCULE-3646996165 [0,0,1,0,0,0|0,0,2]=3 574 B7R0.7 C=COC(=O)C=CC MCULE-7917602280 [0,0,1,0,0,0|0,0,2]=3 575 B7R0.7 C=COC(=O)CCC MCULE-2764567967 [0,0,1,0,0,0|2,0,1]=4 576 B7R0.7 CC#CC(=O)OCC MCULE-3358315498 [0,0,1,0,0,0|0,0,2]=3 577 B7R0.7 CC=CC(=O)N=C=S MCULE-4538158885 [0,0,1,0,0,0|2,0,1]=4 578 B7R0.7 CC=CC(=O)OCC MCULE-1904771513 [0,0,1,0,0,0|0,0,0]=1 579 B7R0.7 CC=CC(O)CCC MCULE-2375824505 [0,0,1,0,0,0|1,0,2]=4 580 B7R0.7 CCCC(=N)OCC MCULE-5551107242 [0,0,1,0,0,0|1,0,2]=4 581 B7R0.7 CCCC(=N)OCC MCULE-7790310067 [0,0,1,0,0,0|1,0,2]=4 582 B7R0.7 CCCC(=O)CCC MCULE-1621649928 [0,0,1,0,0,0|1,0,2]=4 583 B7R0.7 CCCC(=O)OCC MCULE-9977024136 [0,0,1,0,0,0|0,0,2]=3 584 B7R0.7 CCCC(=O)OCCl MCULE-5186069317 [0,0,1,0,0,0|1,0,2]=4 585 B7R0.7 CCNC(=O)CNC MCULE-1939824251 [0,0,1,0,0,0|2,0,1]=4 586 B7R0.7 CCNC(=O)CNC MCULE-2815515396 [0,0,1,0,0,0|2,0,1]=4 587 B7R0.7 CCNC(=O)NCC MCULE-2253571388 [0,0,1,0,0,0|2,0,1]=4 588 B7R0.7 CCNC(=O)OCC MCULE-3910060770 [0,0,1,0,0,0|1,0,1]=3 589 B7R0.7 CCOC(=N)COC MCULE-1358920023 [0,0,1,0,0,0|2,0,1]=4 590 B7R0.7 CCOC(=N)COC MCULE-8494947544 [0,0,1,0,0,0|2,0,1]=4 591 B7R0.7 CCOC(=O)/C=C/I MCULE-4105665503 [0,0,1,0,0,0|1,0,0]=2 592 B7R0.7 CCOC(=O)/C=C/O MCULE-1984925411 [0,0,1,0,0,0|1,0,0]=2 593 B7R0.7 CCOC(=O)/C=C/[O-] MCULE-5625833261 [0,0,1,0,0,0|1,0,0]=2 594 B7R0.7 CCOC(=O)/C=C\Br MCULE-7525620721 [0,0,1,0,0,0|1,0,0]=2 595 B7R0.7 CCOC(=O)/C=C\I MCULE-4741067503 [0,0,1,0,0,0|1,0,0]=2 596 B7R0.7 CCOC(=O)/C=C\N MCULE-1135242139 [0,0,1,0,0,0|1,0,0]=2 597 B7R0.7 CCOC(=O)C#CBr MCULE-5306962165 [0,0,1,0,0,0|1,0,2]=4 598 B7R0.7 CCOC(=O)C=CBr MCULE-3778834856 [0,0,1,0,0,0|1,0,0]=2 599 B7R0.7 CCOC(=O)C=CI MCULE-9930784067 [0,0,1,0,0,0|1,0,0]=2 600 B7R0.7 CCOC(=O)C=CO MCULE-2570791221 [0,0,1,0,0,0|1,0,0]=2 601 B7R0.7 CCOC(=O)C=C[O-] MCULE-8425740727 [0,0,1,0,0,0|1,0,0]=2 602 B7R0.7 CCOC(=O)C=NN MCULE-5132323904 [0,0,1,0,0,0|2,0,0]=3 603 B7R0.7 CCOC(=O)C=NN MCULE-5899717314 [0,0,1,0,0,0|2,0,0]=3 604 B7R0.7 CCOC(=O)C=NO MCULE-8888029932 [0,0,1,0,0,0|2,0,0]=3 605 B7R0.7 CCOC(=O)CC#N MCULE-3161671261 [0,0,1,0,0,0|1,0,2]=4 606 B7R0.7 CCOC(=O)CC=O MCULE-5042552247 [0,0,1,0,0,0|1,0,1]=3 607 B7R0.7 CCOC(=O)CCBr MCULE-1898467026 [0,0,1,0,0,0|1,0,2]=4 608 B7R0.7 CCOC(=O)CCCl MCULE-2623656770 [0,0,1,0,0,0|1,0,2]=4 609 B7R0.7 CCOC(=O)CCI MCULE-9651397551 [0,0,1,0,0,0|1,0,2]=4 610 B7R0.7 CCOC(=O)CCN MCULE-4383008445 [0,0,1,0,0,0|1,0,2]=4 611 B7R0.7 CCOC(=O)CCN MCULE-6873709061 [0,0,1,0,0,0|1,0,2]=4 612 B7R0.7 CCOC(=O)CCO MCULE-3972081033 [0,0,1,0,0,0|1,0,2]=4 613 B7R0.7 CCOC(=O)CCS MCULE-3955367746 [0,0,1,0,0,0|1,0,2]=4 614 B7R0.7 CCOC(=O)CNC MCULE-3219895330 [0,0,1,0,0,0|1,0,1]=3 615 B7R0.7 CCOC(=O)CNC MCULE-6164649520 [0,0,1,0,0,0|1,0,1]=3 616 B7R0.7 CCOC(=O)CNN MCULE-2832319636 [0,0,1,0,0,0|2,0,1]=4 617 B7R0.7 CCOC(=O)CNN MCULE-3479623348 [0,0,1,0,0,0|2,0,1]=4 618 B7R0.7 CCOC(=O)CNN MCULE-5066106273 [0,0,1,0,0,0|2,0,1]=4 619 B7R0.7 CCOC(=O)COC MCULE-7739678079 [0,0,1,0,0,0|1,0,1]=3 620 B7R0.7 CCOC(=O)CON MCULE-4924818206 [0,0,1,0,0,0|2,0,1]=4 621 B7R0.7 CCOC(=O)CSC MCULE-5199209389 [0,0,1,0,0,0|1,0,1]=3 622 B7R0.7 CCOC(=O)N=C=O MCULE-6030513409 [0,0,1,0,0,0|2,0,1]=4 623 B7R0.7 CCOC(=O)N=C=S MCULE-1259119752 [0,0,1,0,0,0|2,0,1]=4 624 B7R0.7 CCOC(=O)N=S=O MCULE-2418866175 [0,0,1,0,0,0|3,0,0]=4 625 B7R0.7 CCOC(=O)NCCl MCULE-9646468987 [0,0,1,0,0,0|2,0,1]=4 626 B7R0.7 CCOC(=O)NCO MCULE-1265242244 [0,0,1,0,0,0|2,0,1]=4 627 B7R0.7 CCOC(=O)NNC MCULE-8689837834 [0,0,1,0,0,0|2,0,0]=3 628 B7R0.7 CCOC(=O)NOC MCULE-2256963329 [0,0,1,0,0,0|2,0,0]=3 629 B7R0.7 CCOC(=O)OCC MCULE-1394890550 [0,0,1,0,0,0|1,0,1]=3 630 B7R0.7 CCOC(=O)OCCl MCULE-9723292956 [0,0,1,0,0,0|2,0,1]=4 631 B7R0.7 CCOC(=O)OCI MCULE-7994621582 [0,0,1,0,0,0|2,0,1]=4 632 B7R0.7 CCOC(=O)[CH-]C=O MCULE-1944484299 [0,0,1,0,0,0|1,0,1]=3 633 B7R0.7 CCOC(=O)[CH-]C=O MCULE-5022028224 [0,0,1,0,0,0|1,0,1]=3 634 B7R0.7 CCOC(=S)SCC MCULE-9637505732 [0,0,1,0,0,0|1,1,1]=4 635 B7R0.7 CCOS(=O)OCC MCULE-6252684995 [0,0,1,0,0,0|2,0,1]=4 636 B7R0.7 CCSC(=O)SCC MCULE-7783165279 [0,0,1,0,0,0|1,1,1]=4 637 B7R0.7 P(=O)(OCC)OCC MCULE-8519301551 [0,0,1,0,0,0|2,0,1]=4 638 B9R2.8 O=C1CC2CC(C1)C2 MCULE-9643976907 [0,0,0,1,0,0|1,0,2]=4 639 B9R2.21 O=C1CC2CC2CN1 MCULE-8535104450 [0,0,0,1,0,0|2,0,1]=4 640 B9R2.21 O=C1CCC2CC2N1 MCULE-1049659983 [0,0,0,1,0,0|1,0,2]=4 641 B9R2.39 C12CNC(C1)C(=O)O2 MCULE-4651135224 [0,0,0,1,0,0|1,0,1]=3 642 B9R2.39 CC1CC2C=CC1C2 MCULE-3947603169 [0,0,0,1,0,0|2,0,1]=4 643 B9R2.39 O=C1CC2C=CC1C2 MCULE-9956317855 [0,0,0,1,0,0|1,0,2]=4 644 B9R2.39 O=C1CC2CCC1C2 MCULE-2467634489 [0,0,0,1,0,0|1,0,2]=4 645 B9R2.39 O=C1CC2CNC1C2 MCULE-1302527504 [0,0,0,1,0,0|2,0,1]=4 646 B9R2.39 O=C1CC2CNC1C2 MCULE-3367580397 [0,0,0,1,0,0|2,0,1]=4 647 B9R2.39 O=C1C[C@@H]2CC[C@H]1C2 MCULE-9992741520 [0,0,0,1,0,0|1,0,2]=4 648 B9R2.39 O=C1C[C@H]2CC[C@@H]1C2 MCULE-2228698965 [0,0,0,1,0,0|1,0,2]=4 649 B9R2.39 O=C1NC2C=CC1C2 MCULE-6558104055 [0,0,0,1,0,0|1,0,2]=4 650 B9R2.39 O=C1NC2CCC1C2 MCULE-2050587567 [0,0,0,1,0,0|1,0,2]=4 651 B9R2.39 O=C1N[C@@H]2C=C[C@H]1C2 MCULE-9490915904 [0,0,0,1,0,0|1,0,2]=4 652 B9R2.39 O=C1N[C@@H]2CC[C@H]1C2 MCULE-2601085316 [0,0,0,1,0,0|1,0,2]=4 653 B9R2.39 O=C1N[C@@H]2CN[C@H]1C2 MCULE-6049411288 [0,0,0,1,0,0|2,0,1]=4 654 B9R2.39 O=C1N[C@@H]2CN[C@H]1C2 MCULE-7775612507 [0,0,0,1,0,0|2,0,1]=4 655 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 MCULE-6863863448 [0,0,0,1,0,0|1,0,2]=4 656 B9R2.39 O=C1OC2CNC1C2 MCULE-1081203973 [0,0,0,1,0,0|1,0,1]=3 657 B9R2.39 O=C1OC2CNC1C2 MCULE-4715019258 [0,0,0,1,0,0|1,0,1]=3 658 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 MCULE-1020161730 [0,0,0,1,0,0|1,0,1]=3 659 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 MCULE-3837738406 [0,0,0,1,0,0|1,0,1]=3 660 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 MCULE-6980885310 [0,0,0,1,0,0|1,0,1]=3 661 B9R2.39 [C@@H]12C=C[C@@H](C1)C(=O)N2 MCULE-7927184168 [0,0,0,1,0,0|1,0,2]=4 662 B9R2.39 [C@@H]12C=C[C@@H](C1)C(=O)N2 MCULE-9869305172 [0,0,0,1,0,0|1,0,2]=4 663 B9R2.39 [C@@H]12C=C[C@@H](C1)NC2=O MCULE-3299747937 [0,0,0,1,0,0|1,0,2]=4 664 B9R2.39 [C@@H]12C=C[C@@H](C1)NC2=O MCULE-6202052539 [0,0,0,1,0,0|1,0,2]=4 665 B9R2.39 [C@@H]12CN[C@@H](C1)C(=O)O2 MCULE-4857421267 [0,0,0,1,0,0|1,0,1]=3 666 B9R2.39 [C@@H]12CN[C@@H](C1)C(=O)O2 MCULE-5314520254 [0,0,0,1,0,0|1,0,1]=3 667 B9R2.39 [C@@H]12CN[C@@H](C1)C(=O)O2 MCULE-8592680797 [0,0,0,1,0,0|1,0,1]=3 668 B9R2.39 [C@H]12C=CC(C1)C(=O)N2 MCULE-5474445534 [0,0,0,1,0,0|1,0,2]=4 669 B9R2.39 [C@H]12CC[C@H](C1)C(=O)N2 MCULE-3838940137 [0,0,0,1,0,0|1,0,2]=4 670 B9R2.39 [C@H]12CC[C@H](C1)CC2=O MCULE-1488894938 [0,0,0,1,0,0|1,0,2]=4 671 B9R2.68 C1=CC2CCC(C1)C2 MCULE-8992637581 [0,0,0,1,0,0|2,0,1]=4 672 B9R2.68 C1=CC2CCC(C1)N2 MCULE-1995611558 [0,0,0,1,0,0|2,0,1]=4 673 B9R2.68 C1=CC2CCC(C1)N2 MCULE-9979902994 [0,0,0,1,0,0|2,0,1]=4 674 B9R2.68 [C@@H]12C=CC[C@@H](C1)CC2 MCULE-3286132303 [0,0,0,1,0,0|2,0,1]=4 675 B9R2.68 [C@@H]12C=CC[C@@H](C1)CC2 MCULE-8863392768 [0,0,0,1,0,0|2,0,1]=4 676 B9R2.109 O=C1CCCC2C1C2 MCULE-3371095042 [0,0,0,1,0,0|1,0,2]=4 677 B9R2.109 O=C1NCCC2C1C2 MCULE-8817732346 [0,0,0,1,0,0|2,0,1]=4 678 B9R2.109 [C@@H]12CCCC(=O)[C@@H]1C2 MCULE-9081823070 [0,0,0,1,0,0|1,0,2]=4 679 B7R1.2 BrC1=CC=C(O1)Br MCULE-3006502201 [0,0,0,0,1,0|2,0,1]=4 680 B7R1.2 C1(CNC(=O)C1)N MCULE-6663942203 [0,0,0,0,1,0|3,0,0]=4 681 B7R1.2 C1(CNC(=O)C1)N MCULE-7862049809 [0,0,0,0,1,0|3,0,0]=4 682 B7R1.2 C1(CNC(=O)C1)O MCULE-5557473335 [0,0,0,0,1,0|3,0,0]=4 683 B7R1.2 C1(COC(=O)N1)C MCULE-2821940224 [0,0,0,0,1,0|2,0,0]=3 684 B7R1.2 C=C1C=CC(=O)O1 MCULE-1046353319 [0,0,0,0,1,0|0,0,2]=3 685 B7R1.2 C=C1CCC(=O)O1 MCULE-2485348963 [0,0,0,0,1,0|0,0,3]=4 686 B7R1.2 CC1=CC(=O)CC1 MCULE-5496838191 [0,0,0,0,1,0|1,0,2]=4 687 B7R1.2 CC1=CC(=O)OC1 MCULE-6549202383 [0,0,0,0,1,0|2,0,1]=4 688 B7R1.2 CC1=CC=C(N1)C MCULE-2630115640 [0,0,0,0,1,0|2,0,1]=4 689 B7R1.2 CC1=CC=C(N1)Cl MCULE-6650692655 [0,0,0,0,1,0|2,0,1]=4 690 B7R1.2 CC1=CC=C(O1)Br MCULE-2815956180 [0,0,0,0,1,0|1,0,1]=3 691 B7R1.2 CC1=CC=C(O1)C MCULE-2776549830 [0,0,0,0,1,0|1,0,1]=3 692 B7R1.2 CC1=CC=C(O1)N MCULE-5583871788 [0,0,0,0,1,0|1,0,1]=3 693 B7R1.2 CC1=CC=C(S1)Br MCULE-9870970320 [0,0,0,0,1,0|1,1,1]=4 694 B7R1.2 CC1=CC=C(S1)C MCULE-6651491312 [0,0,0,0,1,0|1,1,1]=4 695 B7R1.2 CC1=CC=C(S1)C MCULE-7283016932 [0,0,0,0,1,0|1,1,1]=4 696 B7R1.2 CC1=CC=C(S1)Cl MCULE-9463412923 [0,0,0,0,1,0|1,1,1]=4 697 B7R1.2 CC1=CC=C(S1)I MCULE-3339364572 [0,0,0,0,1,0|1,1,1]=4 698 B7R1.2 CC1=CC=C(S1)N MCULE-1672887913 [0,0,0,0,1,0|1,1,1]=4 699 B7R1.2 CC1=CC=C(S1)N MCULE-4947745341 [0,0,0,0,1,0|1,1,1]=4 700 B7R1.2 CC1=CC=C(S1)O MCULE-7587913788 [0,0,0,0,1,0|0,1,2]=4 701 B7R1.2 CC1=CC=C(S1)S MCULE-9072205252 [0,0,0,0,1,0|0,2,1]=4 702 B7R1.2 CC1=CCC(=O)O1 MCULE-5954539189 [0,0,0,0,1,0|0,0,2]=3 703 B7R1.2 CC1=CCC(=O)O1 MCULE-7236091694 [0,0,0,0,1,0|0,0,2]=3 704 B7R1.2 CC1=CCC(=O)S1 MCULE-5812502919 [0,0,0,0,1,0|0,1,2]=4 705 B7R1.2 CC1=CN=C(O1)Br MCULE-3952379614 [0,0,0,0,1,0|2,0,1]=4 706 B7R1.2 CC1=CN=C(O1)C MCULE-8416988900 [0,0,0,0,1,0|2,0,1]=4 707 B7R1.2 CC1=CN=C(O1)Cl MCULE-1762464687 [0,0,0,0,1,0|2,0,1]=4 708 B7R1.2 CC1=CN=C(O1)Cl MCULE-3921580627 [0,0,0,0,1,0|2,0,1]=4 709 B7R1.2 CC1=CN=C(O1)I MCULE-4568617242 [0,0,0,0,1,0|2,0,1]=4 710 B7R1.2 CC1=CN=C(O1)N MCULE-5846833894 [0,0,0,0,1,0|2,0,1]=4 711 B7R1.2 CC1=CNC(=O)N1 MCULE-7571832495 [0,0,0,0,1,0|2,0,1]=4 712 B7R1.2 CC1=CSC(=O)N1 MCULE-6083480700 [0,0,0,0,1,0|2,0,1]=4 713 B7R1.2 CC1=NC(CC1)C MCULE-9630685459 [0,0,0,0,1,0|2,0,1]=4 714 B7R1.2 CC1=NC(CO1)C MCULE-2489340707 [0,0,0,0,1,0|3,0,0]=4 715 B7R1.2 CC1=NC(CS1)C MCULE-8843957654 [0,0,0,0,1,0|3,0,0]=4 716 B7R1.2 CC1=NC=C(O1)Br MCULE-1770948017 [0,0,0,0,1,0|2,0,1]=4 717 B7R1.2 CC1=NC=C(O1)Br MCULE-4635846619 [0,0,0,0,1,0|2,0,1]=4 718 B7R1.2 CC1=NC=C(O1)N MCULE-9670426348 [0,0,0,0,1,0|2,0,1]=4 719 B7R1.2 CC1=NN(C=C1)C MCULE-4991402354 [0,0,0,0,1,0|3,0,0]=4 720 B7R1.2 CC1=NOC(=O)O1 MCULE-5416417255 [0,0,0,0,1,0|2,0,1]=4 721 B7R1.2 CC1C=CC(=O)O1 MCULE-7172637771 [0,0,0,0,1,0|0,0,0]=1 722 B7R1.2 CC1CC(=O)CO1 MCULE-7022597277 [0,0,0,0,1,0|2,0,1]=4 723 B7R1.2 CC1CC(=O)CS1 MCULE-7518365363 [0,0,0,0,1,0|2,0,1]=4 724 B7R1.2 CC1CC(=O)NN1 MCULE-2056748401 [0,0,0,0,1,0|3,0,0]=4 725 B7R1.2 CC1CC(=O)NN1 MCULE-8107476665 [0,0,0,0,1,0|3,0,0]=4 726 B7R1.2 CC1CCC(=N1)N MCULE-3470792627 [0,0,0,0,1,0|2,0,1]=4 727 B7R1.2 CC1CCC(=N1)N MCULE-7952001291 [0,0,0,0,1,0|2,0,1]=4 728 B7R1.2 CC1CCC(=O)C1 MCULE-6716533429 [0,0,0,0,1,0|1,0,1]=3 729 B7R1.2 CC1CCC(=O)N1 MCULE-8928464449 [0,0,0,0,1,0|1,0,1]=3 730 B7R1.2 CC1CCC(=O)N1 MCULE-9236321365 [0,0,0,0,1,0|1,0,1]=3 731 B7R1.2 CC1CCC(=O)O1 MCULE-3014789527 [0,0,0,0,1,0|0,0,1]=2 732 B7R1.2 CC1CCC(O1)C MCULE-6766843462 [0,0,0,0,1,0|1,0,2]=4 733 B7R1.2 CC1CN=C(O1)N MCULE-2936787754 [0,0,0,0,1,0|2,0,0]=3 734 B7R1.2 CC1CN=C(O1)N MCULE-5542499755 [0,0,0,0,1,0|2,0,0]=3 735 B7R1.2 CC1CN=C(S1)N MCULE-5641549444 [0,0,0,0,1,0|2,1,0]=4 736 B7R1.2 CC1CN=C(S1)N MCULE-9229369376 [0,0,0,0,1,0|2,1,0]=4 737 B7R1.2 CC1CNC(=O)C1 MCULE-7180589009 [0,0,0,0,1,0|2,0,0]=3 738 B7R1.2 CC1CNC(=O)N1 MCULE-3789430210 [0,0,0,0,1,0|2,0,0]=3 739 B7R1.2 CC1CNC(=O)O1 MCULE-1288358267 [0,0,0,0,1,0|1,0,0]=2 740 B7R1.2 CC1CNC(=S)N1 MCULE-5305006156 [0,0,0,0,1,0|2,1,0]=4 741 B7R1.2 CC1CNC(=S)S1 MCULE-1131079445 [0,0,0,0,1,0|1,2,0]=4 742 B7R1.2 CC1COC(=O)C1 MCULE-7226555218 [0,0,0,0,1,0|2,0,0]=3 743 B7R1.2 CC1COC(=O)N1 MCULE-5787960105 [0,0,0,0,1,0|2,0,0]=3 744 B7R1.2 CC1COC(=O)O1 MCULE-9055336051 [0,0,0,0,1,0|1,0,0]=2 745 B7R1.2 CC1COC(=S)N1 MCULE-4793665300 [0,0,0,0,1,0|2,1,0]=4 746 B7R1.2 CC1COC(O1)C MCULE-5670718739 [0,0,0,0,1,0|2,0,1]=4 747 B7R1.2 CC1COS(=O)O1 MCULE-7795249539 [0,0,0,0,1,0|2,0,0]=3 748 B7R1.2 CC1CSC(=O)S1 MCULE-5074098161 [0,0,0,0,1,0|1,1,0]=3 749 B7R1.2 CC1CSC(=S)N1 MCULE-9334196132 [0,0,0,0,1,0|2,1,0]=4 750 B7R1.2 CC1NCC(=O)N1 MCULE-9790180398 [0,0,0,0,1,0|2,0,1]=4 751 B7R1.2 CN1C=CC(=C1)Br MCULE-2020278293 [0,0,0,0,1,0|3,0,0]=4 752 B7R1.2 CN1C=CC(=C1)N MCULE-2805426691 [0,0,0,0,1,0|3,0,0]=4 753 B7R1.2 CN1C=CC(=C1)N MCULE-3443863095 [0,0,0,0,1,0|3,0,0]=4 754 B7R1.2 CN1C=CC(=C1)O MCULE-2504745844 [0,0,0,0,1,0|2,0,1]=4 755 B7R1.2 CN1C=CC(=N1)Br MCULE-2140706128 [0,0,0,0,1,0|3,0,0]=4 756 B7R1.2 CN1C=CC(=N1)Cl MCULE-7765518388 [0,0,0,0,1,0|3,0,0]=4 757 B7R1.2 CN1C=CC(=N1)F MCULE-7853118859 [0,0,0,0,1,0|3,0,0]=4 758 B7R1.2 CN1C=CC(=N1)I MCULE-4809829389 [0,0,0,0,1,0|3,0,0]=4 759 B7R1.2 CN1C=CC(=N1)N MCULE-3298296740 [0,0,0,0,1,0|3,0,0]=4 760 B7R1.2 CN1C=CC(=N1)N MCULE-8862989081 [0,0,0,0,1,0|3,0,0]=4 761 B7R1.2 CN1C=CC(=N1)O MCULE-5118805950 [0,0,0,0,1,0|2,0,1]=4 762 B7R1.2 CN1C=CC(=N1)S MCULE-9185539300 [0,0,0,0,1,0|2,1,0]=4 763 B7R1.2 CN1C=NC(=O)N1 MCULE-8089843600 [0,0,0,0,1,0|3,0,0]=4 764 B7R1.2 CN1CCC(=O)C1 MCULE-4017029823 [0,0,0,0,1,0|2,0,1]=4 765 B7R1.2 CN1CCC(=O)C1 MCULE-8684002131 [0,0,0,0,1,0|2,0,1]=4 766 B7R1.2 CN1N=CC(=O)N1 MCULE-1498333804 [0,0,0,0,1,0|3,0,0]=4 767 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-1621276410 [0,0,0,0,1,0|2,0,1]=4 768 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-8721208019 [0,0,0,0,1,0|2,0,1]=4 769 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-2915942259 [0,0,0,0,1,0|1,0,1]=3 770 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-8123247569 [0,0,0,0,1,0|1,0,1]=3 771 B7R1.2 C[C@@H]1CCC(=O)O1 MCULE-5934008113 [0,0,0,0,1,0|0,0,1]=2 772 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-2439559922 [0,0,0,0,1,0|2,0,0]=3 773 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-7246323100 [0,0,0,0,1,0|2,0,0]=3 774 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-8336717940 [0,0,0,0,1,0|1,0,0]=2 775 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-9661080313 [0,0,0,0,1,0|1,0,0]=2 776 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1121808555 [0,0,0,0,1,0|2,0,0]=3 777 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1627827491 [0,0,0,0,1,0|2,0,0]=3 778 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-2439588002 [0,0,0,0,1,0|2,0,0]=3 779 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-5329850427 [0,0,0,0,1,0|2,0,0]=3 780 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-3187800510 [0,0,0,0,1,0|1,0,0]=2 781 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-6719271655 [0,0,0,0,1,0|1,0,0]=2 782 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-3272300487 [0,0,0,0,1,0|2,0,1]=4 783 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-4583858198 [0,0,0,0,1,0|2,0,1]=4 784 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-5135895304 [0,0,0,0,1,0|2,0,1]=4 785 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-6058896534 [0,0,0,0,1,0|2,0,1]=4 786 B7R1.2 C[C@H]1CCC(=O)C1 MCULE-7319626625 [0,0,0,0,1,0|1,0,1]=3 787 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-2618122031 [0,0,0,0,1,0|1,0,1]=3 788 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-6630066118 [0,0,0,0,1,0|1,0,1]=3 789 B7R1.2 C[C@H]1CCC(=O)O1 MCULE-5274272771 [0,0,0,0,1,0|0,0,1]=2 790 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-3395896178 [0,0,0,0,1,0|2,0,0]=3 791 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-8492971593 [0,0,0,0,1,0|2,0,0]=3 792 B7R1.2 C[C@H]1COC(=O)C1 MCULE-6050720348 [0,0,0,0,1,0|2,0,0]=3 793 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7240884474 [0,0,0,0,1,0|2,0,0]=3 794 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7811823319 [0,0,0,0,1,0|2,0,0]=3 795 B7R1.2 C[C@H]1COC(=O)O1 MCULE-2416711374 [0,0,0,0,1,0|1,0,0]=2 796 B7R1.2 C[C@H]1COC(=O)O1 MCULE-4223856214 [0,0,0,0,1,0|1,0,0]=2 797 B7R1.2 C[C@H]1CSC(=S)N1 MCULE-6690407523 [0,0,0,0,1,0|2,1,0]=4 798 B7R1.2 NC1CCC(=O)C1 MCULE-5102535286 [0,0,0,0,1,0|2,0,1]=4 799 B7R1.2 NC1CCC(=O)C1 MCULE-7722818264 [0,0,0,0,1,0|2,0,1]=4 800 B7R1.2 NC1CCC(=O)N1 MCULE-1843033026 [0,0,0,0,1,0|2,0,1]=4 801 B7R1.2 NC1CCC(=O)N1 MCULE-7671057220 [0,0,0,0,1,0|2,0,1]=4 802 B7R1.2 NC1CNC(=O)C1 MCULE-1690074091 [0,0,0,0,1,0|3,0,0]=4 803 B7R1.2 NC1CNC(=O)C1 MCULE-2563813057 [0,0,0,0,1,0|3,0,0]=4 804 B7R1.2 NC1CNC(=O)C1 MCULE-5332234739 [0,0,0,0,1,0|3,0,0]=4 805 B7R1.2 NC1CNC(=O)C1 MCULE-9955937074 [0,0,0,0,1,0|3,0,0]=4 806 B7R1.2 NC1COC(=O)C1 MCULE-1027386953 [0,0,0,0,1,0|3,0,0]=4 807 B7R1.2 NC1COC(=O)C1 MCULE-1493825051 [0,0,0,0,1,0|3,0,0]=4 808 B7R1.2 NC1COC(=O)C1 MCULE-3118610284 [0,0,0,0,1,0|3,0,0]=4 809 B7R1.2 NC1COC(=O)C1 MCULE-8194840985 [0,0,0,0,1,0|3,0,0]=4 810 B7R1.2 NC1N=CC(=O)S1 MCULE-9874802810 [0,0,0,0,1,0|2,1,0]=4 811 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-1502944618 [0,0,0,0,1,0|3,0,0]=4 812 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-2444469131 [0,0,0,0,1,0|3,0,0]=4 813 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-7277309874 [0,0,0,0,1,0|3,0,0]=4 814 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-8533160250 [0,0,0,0,1,0|3,0,0]=4 815 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-2437548952 [0,0,0,0,1,0|3,0,0]=4 816 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4215135536 [0,0,0,0,1,0|3,0,0]=4 817 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4884145743 [0,0,0,0,1,0|3,0,0]=4 818 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-9276068415 [0,0,0,0,1,0|3,0,0]=4 819 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-1884894725 [0,0,0,0,1,0|3,0,0]=4 820 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-2130809002 [0,0,0,0,1,0|3,0,0]=4 821 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-3881338264 [0,0,0,0,1,0|3,0,0]=4 822 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-4324375667 [0,0,0,0,1,0|3,0,0]=4 823 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-5900761307 [0,0,0,0,1,0|3,0,0]=4 824 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-6007209179 [0,0,0,0,1,0|3,0,0]=4 825 B7R1.2 N[C@H]1COC(=O)C1 MCULE-2936782126 [0,0,0,0,1,0|3,0,0]=4 826 B7R1.2 N[C@H]1COC(=O)C1 MCULE-4255876921 [0,0,0,0,1,0|3,0,0]=4 827 B7R1.2 N[C@H]1COC(=O)C1 MCULE-5377151477 [0,0,0,0,1,0|3,0,0]=4 828 B7R1.2 N[C@H]1COC(=O)C1 MCULE-6406960509 [0,0,0,0,1,0|3,0,0]=4 829 B7R1.2 O=C1C=CC(=O)C1 MCULE-7662591278 [0,0,0,0,1,0|2,0,1]=4 830 B7R1.2 O=C1C=CC(=O)N1 MCULE-3677915339 [0,0,0,0,1,0|2,0,1]=4 831 B7R1.2 O=C1C=CC(=O)O1 MCULE-5322674641 [0,0,0,0,1,0|1,0,1]=3 832 B7R1.2 O=C1C=CC(C1)O MCULE-6464451546 [0,0,0,0,1,0|2,0,0]=3 833 B7R1.2 O=C1C=CC(O1)Br MCULE-3933464968 [0,0,0,0,1,0|1,0,0]=2 834 B7R1.2 O=C1C=CC(O1)O MCULE-7170809381 [0,0,0,0,1,0|1,0,0]=2 835 B7R1.2 O=C1C=C[C@@H](C1)O MCULE-4535052390 [0,0,0,0,1,0|2,0,0]=3 836 B7R1.2 O=C1C=C[C@H](C1)O MCULE-9347047598 [0,0,0,0,1,0|2,0,0]=3 837 B7R1.2 O=C1CC(CN1)O MCULE-8498039777 [0,0,0,0,1,0|3,0,0]=4 838 B7R1.2 O=C1CC(CN1)S MCULE-3257609096 [0,0,0,0,1,0|3,0,0]=4 839 B7R1.2 O=C1CC(CO1)O MCULE-3779919332 [0,0,0,0,1,0|3,0,0]=4 840 B7R1.2 O=C1CC(CO1)O MCULE-5609071664 [0,0,0,0,1,0|3,0,0]=4 841 B7R1.2 O=C1CCC(=O)O1 MCULE-1458819618 [0,0,0,0,1,0|1,0,2]=4 842 B7R1.2 O=C1CCC(C1)F MCULE-9585894610 [0,0,0,0,1,0|2,0,1]=4 843 B7R1.2 O=C1CCC(C1)I MCULE-5558007377 [0,0,0,0,1,0|2,0,1]=4 844 B7R1.2 O=C1CCC(C1)O MCULE-8500536547 [0,0,0,0,1,0|2,0,1]=4 845 B7R1.2 O=C1CCC(N1)O MCULE-1790956080 [0,0,0,0,1,0|2,0,1]=4 846 B7R1.2 O=C1CCC(O1)F MCULE-6874239017 [0,0,0,0,1,0|1,0,1]=3 847 B7R1.2 O=C1CCC(O1)O MCULE-5296344468 [0,0,0,0,1,0|1,0,1]=3 848 B7R1.2 O=C1CNC(=O)O1 MCULE-7702120642 [0,0,0,0,1,0|2,0,1]=4 849 B7R1.2 O=C1C[C@@H](CN1)O MCULE-2016792324 [0,0,0,0,1,0|3,0,0]=4 850 B7R1.2 O=C1C[C@@H](CN1)O MCULE-9756194758 [0,0,0,0,1,0|3,0,0]=4 851 B7R1.2 O=C1C[C@@H](CO1)O MCULE-1467506377 [0,0,0,0,1,0|3,0,0]=4 852 B7R1.2 O=C1C[C@@H](CO1)O MCULE-3668466479 [0,0,0,0,1,0|3,0,0]=4 853 B7R1.2 O=C1C[C@H](CN1)O MCULE-2017150152 [0,0,0,0,1,0|3,0,0]=4 854 B7R1.2 O=C1C[C@H](CN1)O MCULE-5168961542 [0,0,0,0,1,0|3,0,0]=4 855 B7R1.2 O=C1C[C@H](CN1)S MCULE-6980612759 [0,0,0,0,1,0|3,0,0]=4 856 B7R1.2 O=C1C[C@H](CN1)S MCULE-7205538285 [0,0,0,0,1,0|3,0,0]=4 857 B7R1.2 O=C1C[C@H](CO1)O MCULE-5756899897 [0,0,0,0,1,0|3,0,0]=4 858 B7R1.2 O=C1C[C@H](CO1)O MCULE-6247095672 [0,0,0,0,1,0|3,0,0]=4 859 B7R1.2 O=C1OCC(O1)Cl MCULE-4046020713 [0,0,0,0,1,0|2,0,0]=3 860 B7R1.2 O=C1OCC(O1)F MCULE-7198712298 [0,0,0,0,1,0|2,0,0]=3 861 B7R1.2 [C@H]1(CCC(=O)C1)C MCULE-3827565169 [0,0,0,0,1,0|1,0,1]=3 862 B7R1.4 C1(CCNC1=O)N MCULE-4906952813 [0,0,0,0,1,0|2,0,1]=4 863 B7R1.4 C1(CCNC1=O)N MCULE-9500853209 [0,0,0,0,1,0|2,0,1]=4 864 B7R1.4 CC1=C(C=CO1)Br MCULE-5272760073 [0,0,0,0,1,0|2,0,1]=4 865 B7R1.4 CC1=C(C=CO1)N MCULE-8304976100 [0,0,0,0,1,0|2,0,1]=4 866 B7R1.4 CC1=C(C=CO1)S MCULE-3331659980 [0,0,0,0,1,0|1,1,1]=4 867 B7R1.4 CC1=C(C=CO1)S MCULE-8172133853 [0,0,0,0,1,0|1,1,1]=4 868 B7R1.4 CC1=C(C=CS1)Br MCULE-6374195818 [0,0,0,0,1,0|2,0,1]=4 869 B7R1.4 CC1=C(C=CS1)Cl MCULE-9362082266 [0,0,0,0,1,0|2,0,1]=4 870 B7R1.4 CC1=C(C=CS1)N MCULE-4152889855 [0,0,0,0,1,0|2,0,1]=4 871 B7R1.4 CC1=C(C=CS1)N MCULE-4377439924 [0,0,0,0,1,0|2,0,1]=4 872 B7R1.4 CC1=C(NC=C1)C MCULE-3747569551 [0,0,0,0,1,0|2,0,1]=4 873 B7R1.4 CC1=C(OC=C1)C MCULE-1944160075 [0,0,0,0,1,0|2,0,1]=4 874 B7R1.4 CC1=C(SC=C1)C MCULE-6742776055 [0,0,0,0,1,0|2,0,1]=4 875 B7R1.4 CC1=CC=CN1C MCULE-7997774693 [0,0,0,0,1,0|2,0,1]=4 876 B7R1.4 CC1=CC=NN1C MCULE-9285969175 [0,0,0,0,1,0|3,0,0]=4 877 B7R1.4 CC1C=NNC1=O MCULE-2547711142 [0,0,0,0,1,0|2,0,1]=4 878 B7R1.4 CC1CCCC1=O MCULE-3710290162 [0,0,0,0,1,0|0,0,2]=3 879 B7R1.4 CC1CCNC1=O MCULE-7799644249 [0,0,0,0,1,0|1,0,1]=3 880 B7R1.4 CC1CCOC1=O MCULE-2223078294 [0,0,0,0,1,0|1,0,1]=3 881 B7R1.4 CC1CNCC1=O MCULE-2728909327 [0,0,0,0,1,0|1,0,1]=3 882 B7R1.4 CC1CNCC1=O MCULE-9172381840 [0,0,0,0,1,0|1,0,1]=3 883 B7R1.4 CC1COCC1=O MCULE-8115238635 [0,0,0,0,1,0|1,0,1]=3 884 B7R1.4 CC1CON=C1N MCULE-8845082604 [0,0,0,0,1,0|3,0,0]=4 885 B7R1.4 CC1CSCC1=O MCULE-5611423322 [0,0,0,0,1,0|1,0,1]=3 886 B7R1.4 CC1NCCC1=O MCULE-4206844406 [0,0,0,0,1,0|1,0,2]=4 887 B7R1.4 CC1NCCC1=O MCULE-7025918222 [0,0,0,0,1,0|1,0,2]=4 888 B7R1.4 CC1OCCC1=O MCULE-8278816952 [0,0,0,0,1,0|1,0,2]=4 889 B7R1.4 CC1SCCC1=O MCULE-5264322365 [0,0,0,0,1,0|1,0,2]=4 890 B7R1.4 CN1C=CC=C1Cl MCULE-2760073099 [0,0,0,0,1,0|2,0,1]=4 891 B7R1.4 CN1C=CC=C1O MCULE-1520569878 [0,0,0,0,1,0|1,0,2]=4 892 B7R1.4 CN1C=CNC1=O MCULE-9198950029 [0,0,0,0,1,0|2,0,1]=4 893 B7R1.4 CN1CC=CC1=O MCULE-7879549885 [0,0,0,0,1,0|1,0,0]=2 894 B7R1.4 CN1CCCC1=O MCULE-1381506705 [0,0,0,0,1,0|1,0,2]=4 895 B7R1.4 CN1CCNC1=O MCULE-9774864412 [0,0,0,0,1,0|2,0,1]=4 896 B7R1.4 CN1CCOC1=O MCULE-7467321799 [0,0,0,0,1,0|2,0,1]=4 897 B7R1.4 CN1CNCC1=O MCULE-2252466841 [0,0,0,0,1,0|2,0,1]=4 898 B7R1.4 CN1N=CC=C1Br MCULE-7101001570 [0,0,0,0,1,0|3,0,0]=4 899 B7R1.4 CN1N=CC=C1Cl MCULE-8962391076 [0,0,0,0,1,0|3,0,0]=4 900 B7R1.4 CN1N=CC=C1F MCULE-6023753197 [0,0,0,0,1,0|3,0,0]=4 901 B7R1.4 CN1N=CC=C1I MCULE-2407065536 [0,0,0,0,1,0|3,0,0]=4 902 B7R1.4 CN1N=CC=C1N MCULE-1453941617 [0,0,0,0,1,0|3,0,0]=4 903 B7R1.4 CN1N=CC=C1N MCULE-2315795709 [0,0,0,0,1,0|3,0,0]=4 904 B7R1.4 CN1N=CC=C1O MCULE-1012956210 [0,0,0,0,1,0|2,0,1]=4 905 B7R1.4 CN1N=CC=C1O MCULE-9024912006 [0,0,0,0,1,0|2,0,1]=4 906 B7R1.4 CN1N=CCC1=O MCULE-2362806196 [0,0,0,0,1,0|2,0,1]=4 907 B7R1.4 CN1NC=CC1=O MCULE-4425265471 [0,0,0,0,1,0|2,0,0]=3 908 B7R1.4 CN1NC=NC1=O MCULE-2476320995 [0,0,0,0,1,0|3,0,0]=4 909 B7R1.4 CN1SC=CC1=O MCULE-3887229553 [0,0,0,0,1,0|2,0,0]=3 910 B7R1.4 CN1SC=CC1=O MCULE-5825912822 [0,0,0,0,1,0|2,0,0]=3 911 B7R1.4 CN1SC=CC1=S MCULE-4327458448 [0,0,0,0,1,0|2,1,0]=4 912 B7R1.4 C[C@@H]1CCNC1=O MCULE-1037883660 [0,0,0,0,1,0|1,0,1]=3 913 B7R1.4 C[C@H]1CCNC1=O MCULE-9500360544 [0,0,0,0,1,0|1,0,1]=3 914 B7R1.4 NC1CCCC1=O MCULE-3654949473 [0,0,0,0,1,0|1,0,2]=4 915 B7R1.4 NC1CCCC1=O MCULE-6579965788 [0,0,0,0,1,0|1,0,2]=4 916 B7R1.4 NC1CCNC1=O MCULE-2061829370 [0,0,0,0,1,0|2,0,1]=4 917 B7R1.4 NC1CCNC1=O MCULE-4272585488 [0,0,0,0,1,0|2,0,1]=4 918 B7R1.4 NC1CCOC1=O MCULE-1011670330 [0,0,0,0,1,0|2,0,1]=4 919 B7R1.4 NC1CCOC1=O MCULE-1366805966 [0,0,0,0,1,0|2,0,1]=4 920 B7R1.4 NC1CCOC1=O MCULE-1874490478 [0,0,0,0,1,0|2,0,1]=4 921 B7R1.4 NC1CCOC1=O MCULE-4434379753 [0,0,0,0,1,0|2,0,1]=4 922 B7R1.4 NC1CCOC1=O MCULE-7302633352 [0,0,0,0,1,0|2,0,1]=4 923 B7R1.4 NC1CCOC1=O MCULE-8009953591 [0,0,0,0,1,0|2,0,1]=4 924 B7R1.4 NC1CCSC1=O MCULE-5181497015 [0,0,0,0,1,0|2,0,1]=4 925 B7R1.4 NC1CCSC1=O MCULE-8775141567 [0,0,0,0,1,0|2,0,1]=4 926 B7R1.4 NC1CONC1=O MCULE-3118867985 [0,0,0,0,1,0|3,0,0]=4 927 B7R1.4 NC1CONC1=O MCULE-3159218372 [0,0,0,0,1,0|3,0,0]=4 928 B7R1.4 N[C@@H]1CCNC1=O MCULE-2357766642 [0,0,0,0,1,0|2,0,1]=4 929 B7R1.4 N[C@@H]1CCNC1=O MCULE-9089591546 [0,0,0,0,1,0|2,0,1]=4 930 B7R1.4 N[C@@H]1CCNC1=O MCULE-9558758567 [0,0,0,0,1,0|2,0,1]=4 931 B7R1.4 N[C@@H]1CCNC1=O MCULE-9668255740 [0,0,0,0,1,0|2,0,1]=4 932 B7R1.4 N[C@@H]1CCOC1=O MCULE-1027751896 [0,0,0,0,1,0|2,0,1]=4 933 B7R1.4 N[C@@H]1CCOC1=O MCULE-4034349263 [0,0,0,0,1,0|2,0,1]=4 934 B7R1.4 N[C@@H]1CCOC1=O MCULE-8790782772 [0,0,0,0,1,0|2,0,1]=4 935 B7R1.4 N[C@@H]1CCOC1=O MCULE-9300265861 [0,0,0,0,1,0|2,0,1]=4 936 B7R1.4 N[C@@H]1CCSC1=O MCULE-1269968791 [0,0,0,0,1,0|2,0,1]=4 937 B7R1.4 N[C@@H]1CCSC1=O MCULE-5374422420 [0,0,0,0,1,0|2,0,1]=4 938 B7R1.4 N[C@@H]1CCSC1=O MCULE-8203732076 [0,0,0,0,1,0|2,0,1]=4 939 B7R1.4 N[C@@H]1CCSC1=O MCULE-8418670804 [0,0,0,0,1,0|2,0,1]=4 940 B7R1.4 N[C@@H]1CONC1=O MCULE-4212827696 [0,0,0,0,1,0|3,0,0]=4 941 B7R1.4 N[C@@H]1CONC1=O MCULE-6014142329 [0,0,0,0,1,0|3,0,0]=4 942 B7R1.4 N[C@H]1CCNC1=O MCULE-2327147408 [0,0,0,0,1,0|2,0,1]=4 943 B7R1.4 N[C@H]1CCNC1=O MCULE-2923469662 [0,0,0,0,1,0|2,0,1]=4 944 B7R1.4 N[C@H]1CCNC1=O MCULE-5882745021 [0,0,0,0,1,0|2,0,1]=4 945 B7R1.4 N[C@H]1CCNC1=O MCULE-7846724738 [0,0,0,0,1,0|2,0,1]=4 946 B7R1.4 N[C@H]1CCOC1=O MCULE-4393293388 [0,0,0,0,1,0|2,0,1]=4 947 B7R1.4 N[C@H]1CCOC1=O MCULE-4751602783 [0,0,0,0,1,0|2,0,1]=4 948 B7R1.4 N[C@H]1CCOC1=O MCULE-7924572479 [0,0,0,0,1,0|2,0,1]=4 949 B7R1.4 N[C@H]1CCOC1=O MCULE-8545644747 [0,0,0,0,1,0|2,0,1]=4 950 B7R1.4 N[C@H]1CCOC1=O MCULE-8634641228 [0,0,0,0,1,0|2,0,1]=4 951 B7R1.4 N[C@H]1CCSC1=O MCULE-4497814170 [0,0,0,0,1,0|2,0,1]=4 952 B7R1.4 N[C@H]1CCSC1=O MCULE-6209097230 [0,0,0,0,1,0|2,0,1]=4 953 B7R1.4 N[C@H]1CCSC1=O MCULE-6419348515 [0,0,0,0,1,0|2,0,1]=4 954 B7R1.4 N[C@H]1CCSC1=O MCULE-9091827364 [0,0,0,0,1,0|2,0,1]=4 955 B7R1.4 N[C@H]1CONC1=O MCULE-4286940154 [0,0,0,0,1,0|3,0,0]=4 956 B7R1.4 N[C@H]1CONC1=O MCULE-9925977120 [0,0,0,0,1,0|3,0,0]=4 957 B7R1.4 O=C1CCCC1Br MCULE-3651373380 [0,0,0,0,1,0|1,0,2]=4 958 B7R1.4 O=C1CCCC1Cl MCULE-7745647260 [0,0,0,0,1,0|1,0,2]=4 959 B7R1.4 O=C1CCCC1F MCULE-8001765295 [0,0,0,0,1,0|1,0,2]=4 960 B7R1.4 O=C1CCCC1O MCULE-6795188798 [0,0,0,0,1,0|1,0,2]=4 961 B7R1.4 O=C1NCCC1Br MCULE-5321265801 [0,0,0,0,1,0|2,0,1]=4 962 B7R1.4 O=C1NCCC1Cl MCULE-1663035789 [0,0,0,0,1,0|2,0,1]=4 963 B7R1.4 O=C1NCCC1F MCULE-2209899044 [0,0,0,0,1,0|2,0,1]=4 964 B7R1.4 O=C1NCCC1O MCULE-8818841339 [0,0,0,0,1,0|2,0,1]=4 965 B7R1.4 O=C1NCCC1O MCULE-9662824811 [0,0,0,0,1,0|2,0,1]=4 966 B7R1.4 O=C1NCC[C@@H]1O MCULE-3212474164 [0,0,0,0,1,0|2,0,1]=4 967 B7R1.4 O=C1NCC[C@@H]1O MCULE-7816291255 [0,0,0,0,1,0|2,0,1]=4 968 B7R1.4 O=C1NCC[C@H]1O MCULE-1281835510 [0,0,0,0,1,0|2,0,1]=4 969 B7R1.4 O=C1NCC[C@H]1O MCULE-6809356348 [0,0,0,0,1,0|2,0,1]=4 970 B7R1.4 O=C1OCCC1Br MCULE-8316114331 [0,0,0,0,1,0|2,0,1]=4 971 B7R1.4 O=C1OCCC1O MCULE-2144002601 [0,0,0,0,1,0|2,0,1]=4 972 B7R1.4 O=C1OCCC1S MCULE-2130434062 [0,0,0,0,1,0|2,0,1]=4 973 B7R1.4 O=C1OCC[C@@H]1O MCULE-7764011790 [0,0,0,0,1,0|2,0,1]=4 974 B7R1.4 O=C1OCC[C@@H]1O MCULE-9001729998 [0,0,0,0,1,0|2,0,1]=4 975 B7R1.4 O=C1OCC[C@H]1O MCULE-6949645282 [0,0,0,0,1,0|2,0,1]=4 976 B7R1.4 O=C1OCC[C@H]1O MCULE-7110242636 [0,0,0,0,1,0|2,0,1]=4 977 B7R1.4 OC1CCC=C1Br MCULE-2577502971 [0,0,0,0,1,0|2,0,1]=4 978 B7R1.4 [NH3+][C@H]1CCOC1=O MCULE-8903471982 [0,0,0,0,1,0|2,0,1]=4 979 B9R1.48 CC1CC(=O)NCCN1 MCULE-4537177994 [0,0,0,0,0,1|2,0,1]=4 980 B9R1.48 CC1CC(=O)NCCS1 MCULE-3715670462 [0,0,0,0,0,1|2,0,1]=4 981 B9R1.48 CC1CCCCC(=O)C1 MCULE-5791948972 [0,0,0,0,0,1|1,0,2]=4 982 B9R1.48 CC1CCCCC(=O)N1 MCULE-8985894348 [0,0,0,0,0,1|1,0,2]=4 983 B9R1.48 CC1CNCCC(=O)N1 MCULE-3663408616 [0,0,0,0,0,1|1,0,2]=4 984 B9R1.48 C[C@H]1CC(=O)NCCN1 MCULE-6214285788 [0,0,0,0,0,1|2,0,1]=4 985 B9R1.49 CC1CCCC(=O)CC1 MCULE-8026581790 [0,0,0,0,0,1|1,0,2]=4 986 B9R1.49 CC1CCNC(=O)CC1 MCULE-4158970437 [0,0,0,0,0,1|2,0,1]=4 987 B6R0.1 C#CC(=O)OCC MCULE-3783424133 [1,0,1,0,0,0|0,0,2]=4 988 B6R0.1 C(=C/C(=O)CC)\C MCULE-9250312874 [1,0,1,0,0,0|0,0,0]=2 989 B6R0.1 C/C=C/C(=O)OC MCULE-8935178488 [1,0,1,0,0,0|0,0,0]=2 990 B6R0.1 C=C=CC(=O)OC MCULE-7885631451 [1,0,1,0,0,0|0,0,2]=4 991 B6R0.1 C=CC(=O)CCC MCULE-9373104880 [1,0,1,0,0,0|1,0,0]=3 992 B6R0.1 C=CC(=O)COC MCULE-1933195578 [1,0,1,0,0,0|2,0,0]=4 993 B6R0.1 C=CC(=O)NCC MCULE-3515057147 [1,0,1,0,0,0|1,0,0]=3 994 B6R0.1 C=CC(=O)NCO MCULE-3627112877 [1,0,1,0,0,0|2,0,0]=4 995 B6R0.1 C=CC(=O)OCC MCULE-9281713240 [1,0,1,0,0,0|0,0,0]=2 996 B6R0.1 C=CCC(=O)OC MCULE-5546680906 [1,0,1,0,0,0|0,0,2]=4 997 B6R0.1 C=CCC(C)C=O MCULE-3981206051 [1,0,1,0,0,0|0,0,0]=2 998 B6R0.1 C=CCC(C)CC MCULE-8680856865 [1,0,1,0,0,0|1,0,1]=4 999 B6R0.1 C=CCC(C)CO MCULE-9174943108 [1,0,1,0,0,0|0,0,2]=4 1000 B6R0.1 C=CCC(O)C=C MCULE-3803883413 [1,0,1,0,0,0|2,0,0]=4 1001 B6R0.1 C=CC[C@H](C)C=O MCULE-6968117309 [1,0,1,0,0,0|0,0,0]=2 1002 B6R0.1 C=COC(=O)CC MCULE-7662621547 [1,0,1,0,0,0|1,0,1]=4 1003 B6R0.1 CC#CC(=O)OC MCULE-6108678475 [1,0,1,0,0,0|0,0,2]=4 1004 B6R0.1 CC=CC(=O)CC MCULE-5948495959 [1,0,1,0,0,0|0,0,0]=2 1005 B6R0.1 CC=CC(=O)OC MCULE-1093700917 [1,0,1,0,0,0|0,0,0]=2 1006 B6R0.1 CCC(=O)CNC MCULE-3030105640 [1,0,1,0,0,0|1,0,1]=4 1007 B6R0.1 CCC(=O)CNC MCULE-6945295017 [1,0,1,0,0,0|1,0,1]=4 1008 B6R0.1 CCC(=O)COC MCULE-1087802011 [1,0,1,0,0,0|1,0,1]=4 1009 B6R0.1 CCC(=O)CSC MCULE-3230433182 [1,0,1,0,0,0|1,0,1]=4 1010 B6R0.1 CCC(=O)NOC MCULE-4440074406 [1,0,1,0,0,0|2,0,0]=4 1011 B6R0.1 CCC(=O)OCCl MCULE-6975707373 [1,0,1,0,0,0|1,0,1]=4 1012 B6R0.1 CCC(C)CC=O MCULE-9143756592 [1,0,1,0,0,0|1,0,1]=4 1013 B6R0.1 CCC(C)NC=O MCULE-2197007756 [1,0,1,0,0,0|1,0,1]=4 1014 B6R0.1 CCC(C)OC=O MCULE-9361787208 [1,0,1,0,0,0|0,0,1]=3 1015 B6R0.1 CCCC(=O)CC MCULE-7121523805 [1,0,1,0,0,0|0,0,2]=4 1016 B6R0.1 CCCC(=O)NC MCULE-5770149071 [1,0,1,0,0,0|2,0,0]=4 1017 B6R0.1 CCCC(=O)OC MCULE-1092030267 [1,0,1,0,0,0|0,0,2]=4 1018 B6R0.1 CCCC(=O)SC MCULE-1490654381 [1,0,1,0,0,0|2,0,0]=4 1019 B6R0.1 CCCC(C)C=O MCULE-9756444218 [1,0,1,0,0,0|0,0,2]=4 1020 B6R0.1 CCNC(=O)CC MCULE-8820594723 [1,0,1,0,0,0|1,0,1]=4 1021 B6R0.1 CCNC(=O)NC MCULE-7197803115 [1,0,1,0,0,0|2,0,0]=4 1022 B6R0.1 CCNC(=O)OC MCULE-7110705188 [1,0,1,0,0,0|1,0,1]=4 1023 B6R0.1 CCOC(=N)CC MCULE-4645506860 [1,0,1,0,0,0|1,0,1]=4 1024 B6R0.1 CCOC(=N)CC MCULE-9526837631 [1,0,1,0,0,0|1,0,1]=4 1025 B6R0.1 CCOC(=O)C#N MCULE-4506452376 [1,0,1,0,0,0|1,0,1]=4 1026 B6R0.1 CCOC(=O)C=O MCULE-3433596669 [1,0,1,0,0,0|1,0,0]=3 1027 B6R0.1 CCOC(=O)CBr MCULE-1369687761 [1,0,1,0,0,0|1,0,1]=4 1028 B6R0.1 CCOC(=O)CC MCULE-1639864693 [1,0,1,0,0,0|0,0,1]=3 1029 B6R0.1 CCOC(=O)CCl MCULE-2200524105 [1,0,1,0,0,0|1,0,1]=4 1030 B6R0.1 CCOC(=O)CF MCULE-1926097423 [1,0,1,0,0,0|1,0,1]=4 1031 B6R0.1 CCOC(=O)CI MCULE-9898762324 [1,0,1,0,0,0|1,0,1]=4 1032 B6R0.1 CCOC(=O)CN MCULE-2185173056 [1,0,1,0,0,0|1,0,1]=4 1033 B6R0.1 CCOC(=O)CN MCULE-2628607025 [1,0,1,0,0,0|1,0,1]=4 1034 B6R0.1 CCOC(=O)CO MCULE-8121340151 [1,0,1,0,0,0|1,0,1]=4 1035 B6R0.1 CCOC(=O)CS MCULE-3354026239 [1,0,1,0,0,0|1,0,1]=4 1036 B6R0.1 CCOC(=O)NC MCULE-5506841198 [1,0,1,0,0,0|1,0,0]=3 1037 B6R0.1 CCOC(=O)NN MCULE-9872948119 [1,0,1,0,0,0|2,0,0]=4 1038 B6R0.1 CCOC(=O)NO MCULE-4701193610 [1,0,1,0,0,0|2,0,0]=4 1039 B6R0.1 CCOC(=O)OC MCULE-1185162684 [1,0,1,0,0,0|1,0,0]=3 1040 B6R0.1 CCOC(=S)SC MCULE-6959447720 [1,0,1,0,0,0|1,1,0]=4 1041 B6R0.1 CCOS(=O)CC MCULE-4858180441 [1,0,1,0,0,0|1,0,1]=4 1042 B6R0.1 CCSC(=O)CC MCULE-6361738004 [1,0,1,0,0,0|0,1,1]=4 1043 B6R0.1 CNCC(=O)OC MCULE-1667683926 [1,0,1,0,0,0|1,0,1]=4 1044 B6R0.1 CNCC(=O)OC MCULE-5530863658 [1,0,1,0,0,0|1,0,1]=4 1045 B6R0.1 CNNC(=O)OC MCULE-4763095719 [1,0,1,0,0,0|2,0,0]=4 1046 B6R0.1 COC(=O)/C=C/Br MCULE-8282646495 [1,0,1,0,0,0|1,0,0]=3 1047 B6R0.1 COC(=O)/C=C/I MCULE-2652779390 [1,0,1,0,0,0|1,0,0]=3 1048 B6R0.1 COC(=O)/C=C\Br MCULE-8147758029 [1,0,1,0,0,0|1,0,0]=3 1049 B6R0.1 COC(=O)/C=C\I MCULE-9091408550 [1,0,1,0,0,0|1,0,0]=3 1050 B6R0.1 COC(=O)C=CBr MCULE-6878439912 [1,0,1,0,0,0|1,0,0]=3 1051 B6R0.1 COC(=O)C=CCl MCULE-6895925134 [1,0,1,0,0,0|1,0,0]=3 1052 B6R0.1 COC(=O)C=CI MCULE-1616048599 [1,0,1,0,0,0|1,0,0]=3 1053 B6R0.1 COC(=O)C=CN MCULE-4685220707 [1,0,1,0,0,0|1,0,0]=3 1054 B6R0.1 COC(=O)CC=O MCULE-6624474559 [1,0,1,0,0,0|1,0,1]=4 1055 B6R0.1 COC(=O)CSC MCULE-6735536033 [1,0,1,0,0,0|1,0,1]=4 1056 B6R0.1 COC(=O)NC=O MCULE-9852632340 [1,0,1,0,0,0|2,0,0]=4 1057 B6R0.1 COC(=O)OCCl MCULE-7856529986 [1,0,1,0,0,0|2,0,0]=4 1058 B6R0.1 COC(=O)OCF MCULE-4705008675 [1,0,1,0,0,0|2,0,0]=4 1059 B6R0.1 COC(=O)OCI MCULE-8692720175 [1,0,1,0,0,0|2,0,0]=4 1060 B6R0.1 COC(C)CC=O MCULE-7243333697 [1,0,1,0,0,0|1,0,1]=4 1061 B6R0.1 COCC(=O)OC MCULE-8337685268 [1,0,1,0,0,0|1,0,1]=4 1062 B6R0.1 COCC(C)C=O MCULE-7679332713 [1,0,1,0,0,0|1,0,1]=4 1063 B6R0.1 CONC(=O)OC MCULE-9304532248 [1,0,1,0,0,0|2,0,0]=4 1064 B6R0.1 O=C(C=CCl)CCl MCULE-6121304267 [1,0,1,0,0,0|2,0,0]=4 1065 B6R0.2 C=C(C)CC(C)C MCULE-5553118538 [1,0,1,0,0,0|2,0,0]=4 1066 B6R0.2 C=C(C)OC(=O)C MCULE-9345377025 [1,0,1,0,0,0|0,0,2]=4 1067 B6R0.2 CC(=O)CC(C)C MCULE-2172909634 [1,0,1,0,0,0|1,0,1]=4 1068 B6R0.2 CC(=O)NC(C)C MCULE-2095134698 [1,0,1,0,0,0|1,0,1]=4 1069 B6R0.2 CC(=O)OC(C)Br MCULE-6494616843 [1,0,1,0,0,0|1,0,1]=4 1070 B6R0.2 CC(=O)OC(C)C MCULE-6152257819 [1,0,1,0,0,0|0,0,1]=3 1071 B6R0.2 CC(=O)OC(C)Cl MCULE-3738479003 [1,0,1,0,0,0|1,0,1]=4 1072 B6R0.2 CC(C)CC(=O)Cl MCULE-8821231794 [1,0,1,0,0,0|2,0,0]=4 1073 B6R0.2 CC(C)CC(=O)N MCULE-7790849976 [1,0,1,0,0,0|2,0,0]=4 1074 B6R0.2 CC(C)CC(=O)O MCULE-5805071360 [1,0,1,0,0,0|2,0,0]=4 1075 B6R0.2 CC(C)NC(=O)N MCULE-2725741897 [1,0,1,0,0,0|2,0,0]=4 1076 B6R0.2 CC(C)OC(=N)N MCULE-3607061697 [1,0,1,0,0,0|2,0,0]=4 1077 B6R0.2 CC(C)OC(=N)N MCULE-6662387960 [1,0,1,0,0,0|2,0,0]=4 1078 B6R0.2 CC(C)OC(=O)Cl MCULE-3303340398 [1,0,1,0,0,0|1,0,0]=3 1079 B6R0.2 CC(C)OC(=O)N MCULE-9996500963 [1,0,1,0,0,0|1,0,0]=3 1080 B6R0.2 CC(C)OC(=S)[S-] MCULE-2902588510 [1,0,1,0,0,0|1,1,0]=4 1081 B6R0.2 CC(C)OC(=S)[S-] MCULE-9078070002 [1,0,1,0,0,0|1,1,0]=4 1082 B6R0.2 CC(C)OC(=S)[S-] MCULE-9949285618 [1,0,1,0,0,0|1,1,0]=4 1083 B6R0.2 CC(C)ON(=O)=O MCULE-8820340461 [1,0,1,0,0,0|2,0,0]=4 1084 B6R0.2 CC(C)SC(=O)Cl MCULE-9803882280 [1,0,1,0,0,0|1,1,0]=4 1085 B6R0.2 CC(Cl)OC(=O)Cl MCULE-8020850544 [1,0,1,0,0,0|2,0,0]=4 1086 B6R0.2 P(=O)([O-])OC(C)C MCULE-5865480150 [1,0,1,0,0,0|2,0,0]=4 1087 B6R0.2 P(=O)([O-])OC(C)C MCULE-7393903455 [1,0,1,0,0,0|2,0,0]=4 1088 B6R0.4 C/C=C/CC(=O)O MCULE-4626577048 [1,0,1,0,0,0|0,0,2]=4 1089 B6R0.4 C=C/C=C/C(=O)O MCULE-7975593411 [1,0,1,0,0,0|0,0,2]=4 1090 B6R0.4 C=CC=CC(=O)O MCULE-5189540617 [1,0,1,0,0,0|0,0,2]=4 1091 B6R0.4 C=CCCC(C)Br MCULE-5841356762 [1,0,1,0,0,0|1,0,1]=4 1092 B6R0.4 C=CCCC(C)C MCULE-7128249655 [1,0,1,0,0,0|1,0,1]=4 1093 B6R0.4 C=CCCC(C)O MCULE-3388106789 [1,0,1,0,0,0|0,0,1]=3 1094 B6R0.4 C=CCC[C@@H](C)O MCULE-1272820385 [1,0,1,0,0,0|0,0,1]=3 1095 B6R0.4 C=CCC[C@@H](C)O MCULE-8509867177 [1,0,1,0,0,0|0,0,1]=3 1096 B6R0.4 C=CCC[C@H](C)O MCULE-4371391667 [1,0,1,0,0,0|0,0,1]=3 1097 B6R0.4 C=CCNC(C)C MCULE-1450045891 [1,0,1,0,0,0|1,0,1]=4 1098 B6R0.4 C=CCNC(C)C MCULE-3261189096 [1,0,1,0,0,0|1,0,1]=4 1099 B6R0.4 C=CCNC(C)C MCULE-4894255968 [1,0,1,0,0,0|1,0,1]=4 1100 B6R0.4 C=CCOC(=O)C MCULE-9991130828 [1,0,1,0,0,0|0,0,2]=4 1101 B6R0.4 C=CCOC(=O)Cl MCULE-3513251417 [1,0,1,0,0,0|1,0,1]=4 1102 B6R0.4 C=CCOC(=O)N MCULE-4119124558 [1,0,1,0,0,0|1,0,1]=4 1103 B6R0.4 C=COCC(C)C MCULE-7268141053 [1,0,1,0,0,0|2,0,0]=4 1104 B6R0.4 CC(=O)OCCBr MCULE-3760449773 [1,0,1,0,0,0|1,0,1]=4 1105 B6R0.4 CC(=O)OCCCl MCULE-4570139017 [1,0,1,0,0,0|1,0,1]=4 1106 B6R0.4 CC(=O)OCCN MCULE-4530529900 [1,0,1,0,0,0|1,0,1]=4 1107 B6R0.4 CC(=O)OCCN MCULE-6854340494 [1,0,1,0,0,0|1,0,1]=4 1108 B6R0.4 CC(=O)OCCO MCULE-1251660436 [1,0,1,0,0,0|1,0,1]=4 1109 B6R0.4 CC(C)C=CC=O MCULE-5034551905 [1,0,1,0,0,0|1,0,0]=3 1110 B6R0.4 CC(C)CCC=O MCULE-9664145623 [1,0,1,0,0,0|1,0,1]=4 1111 B6R0.4 CC(C)CNC=O MCULE-2156996206 [1,0,1,0,0,0|2,0,0]=4 1112 B6R0.4 CC(C)COC=O MCULE-8234906771 [1,0,1,0,0,0|2,0,0]=4 1113 B6R0.4 CC(C)OCC=O MCULE-5974054323 [1,0,1,0,0,0|1,0,1]=4 1114 B6R0.4 CC/C=C/C(=N)N MCULE-7871697378 [1,0,1,0,0,0|2,0,0]=4 1115 B6R0.4 CC/C=C/C(=N)N MCULE-9276291098 [1,0,1,0,0,0|2,0,0]=4 1116 B6R0.4 CC/C=C/C(=O)Cl MCULE-8929214872 [1,0,1,0,0,0|1,0,0]=3 1117 B6R0.4 CC/C=C/C(=O)O MCULE-4888215476 [1,0,1,0,0,0|0,0,0]=2 1118 B6R0.4 CC=CCC(=O)O MCULE-9174714653 [1,0,1,0,0,0|0,0,2]=4 1119 B6R0.4 CC=CCC(C)C MCULE-7145682250 [1,0,1,0,0,0|1,0,1]=4 1120 B6R0.4 CCC#CC(=O)O MCULE-1053283381 [1,0,1,0,0,0|0,0,2]=4 1121 B6R0.4 CCC=CB(O)O MCULE-6166989227 [1,0,1,0,0,0|1,0,1]=4 1122 B6R0.4 CCC=CC(=O)C MCULE-2986269826 [1,0,1,0,0,0|1,0,0]=3 1123 B6R0.4 CCC=CC(=O)Cl MCULE-5159865849 [1,0,1,0,0,0|1,0,0]=3 1124 B6R0.4 CCC=CC(=O)O MCULE-3920494238 [1,0,1,0,0,0|0,0,0]=2 1125 B6R0.4 CCCC=C(C)C MCULE-2110588796 [1,0,1,0,0,0|2,0,0]=4 1126 B6R0.4 CCCCC(=O)Br MCULE-2980405081 [1,0,1,0,0,0|1,0,1]=4 1127 B6R0.4 CCCCC(=O)C MCULE-3554390184 [1,0,1,0,0,0|1,0,1]=4 1128 B6R0.4 CCCCC(=O)Cl MCULE-3875407102 [1,0,1,0,0,0|1,0,1]=4 1129 B6R0.4 CCCCC(=O)N MCULE-6419483436 [1,0,1,0,0,0|1,0,1]=4 1130 B6R0.4 CCCCC(=O)O MCULE-2333640078 [1,0,1,0,0,0|0,0,1]=3 1131 B6R0.4 CCCCC(=O)[O-] MCULE-4817107962 [1,0,1,0,0,0|0,0,2]=4 1132 B6R0.4 CCCNC(=O)C MCULE-5899703886 [1,0,1,0,0,0|2,0,0]=4 1133 B6R0.4 CCCNC(=O)Cl MCULE-2937184966 [1,0,1,0,0,0|2,0,0]=4 1134 B6R0.4 CCCNC(=O)N MCULE-8528844765 [1,0,1,0,0,0|2,0,0]=4 1135 B6R0.4 CCCOC(=O)C MCULE-7327042566 [1,0,1,0,0,0|0,0,2]=4 1136 B6R0.4 CCCOC(=O)Cl MCULE-1312686139 [1,0,1,0,0,0|1,0,1]=4 1137 B6R0.4 CCCOC(=O)N MCULE-2760622567 [1,0,1,0,0,0|1,0,1]=4 1138 B6R0.4 CCCSC(=O)C MCULE-4329646671 [1,0,1,0,0,0|2,0,0]=4 1139 B6R0.4 CCCSC(=O)Cl MCULE-5971141999 [1,0,1,0,0,0|2,0,0]=4 1140 B6R0.4 CCNCC(=O)O MCULE-5989480216 [1,0,1,0,0,0|1,0,1]=4 1141 B6R0.4 CCNCC(=O)O MCULE-8087863397 [1,0,1,0,0,0|1,0,1]=4 1142 B6R0.4 CCOCC(=O)O MCULE-1726530898 [1,0,1,0,0,0|1,0,1]=4 1143 B6R0.4 CCSCC(=O)O MCULE-7471335718 [1,0,1,0,0,0|1,0,1]=4 1144 B6R0.4 CN(C)/C=C/C=O MCULE-2048385164 [1,0,1,0,0,0|2,0,0]=4 1145 B6R0.4 CN(C)C=CC=O MCULE-3308636651 [1,0,1,0,0,0|2,0,0]=4 1146 B6R0.4 CNCCC(=O)O MCULE-3627988097 [1,0,1,0,0,0|1,0,1]=4 1147 B6R0.4 CNCCC(=O)O MCULE-9858204248 [1,0,1,0,0,0|1,0,1]=4 1148 B6R0.4 CO/C=C/C(=O)C MCULE-1215649803 [1,0,1,0,0,0|2,0,0]=4 1149 B6R0.4 CO/C=C/C(=O)O MCULE-3681049176 [1,0,1,0,0,0|1,0,0]=3 1150 B6R0.4 COC=CC(=O)C MCULE-4868833764 [1,0,1,0,0,0|2,0,0]=4 1151 B6R0.4 COC=CC(=O)Cl MCULE-4966577139 [1,0,1,0,0,0|2,0,0]=4 1152 B6R0.4 COC=CC(=O)O MCULE-4252899122 [1,0,1,0,0,0|1,0,0]=3 1153 B6R0.4 COCCC(=O)O MCULE-3436347115 [1,0,1,0,0,0|1,0,1]=4 1154 B6R0.4 CON=CC(=O)O MCULE-6800819509 [1,0,1,0,0,0|2,0,0]=4 1155 B6R0.4 CSCCC(=O)O MCULE-9550032941 [1,0,1,0,0,0|1,0,1]=4 1156 B6R0.4 N#CC=CC(=O)O MCULE-9790502930 [1,0,1,0,0,0|1,0,1]=4 1157 B6R0.4 NC(=O)OCCCl MCULE-4259077420 [1,0,1,0,0,0|2,0,0]=4 1158 B6R0.4 NC(=O)OCCO MCULE-7565460845 [1,0,1,0,0,0|2,0,0]=4 1159 B6R0.4 NC/C=C/C(=O)O MCULE-1249244912 [1,0,1,0,0,0|1,0,0]=3 1160 B6R0.4 NCC=CC(=O)O MCULE-3049811576 [1,0,1,0,0,0|1,0,0]=3 1161 B6R0.4 NCC=CC(=O)O MCULE-5171717036 [1,0,1,0,0,0|1,0,0]=3 1162 B6R0.4 NCCCC(=O)O MCULE-3615304273 [1,0,1,0,0,0|1,0,1]=4 1163 B6R0.4 NCCCC(=O)O MCULE-7613134021 [1,0,1,0,0,0|1,0,1]=4 1164 B6R0.4 NCCOC(=O)N MCULE-4144808257 [1,0,1,0,0,0|2,0,0]=4 1165 B6R0.4 NCCOC(=O)N MCULE-5815053840 [1,0,1,0,0,0|2,0,0]=4 1166 B6R0.4 O=C(Cl)OCCBr MCULE-6758010852 [1,0,1,0,0,0|2,0,0]=4 1167 B6R0.4 O=C(Cl)OCCCl MCULE-1505786385 [1,0,1,0,0,0|2,0,0]=4 1168 B6R0.4 O=C(Cl)OCCF MCULE-5233366139 [1,0,1,0,0,0|2,0,0]=4 1169 B6R0.4 O=C(O)/C=C/CBr MCULE-2012997584 [1,0,1,0,0,0|1,0,0]=3 1170 B6R0.4 O=C(O)/C=C/CCl MCULE-5651159998 [1,0,1,0,0,0|1,0,0]=3 1171 B6R0.4 O=C(O)/C=C/CO MCULE-1612823053 [1,0,1,0,0,0|1,0,0]=3 1172 B6R0.4 O=C(O)C=CCBr MCULE-3029375430 [1,0,1,0,0,0|1,0,0]=3 1173 B6R0.4 O=C(O)C=CCCl MCULE-1050913038 [1,0,1,0,0,0|1,0,0]=3 1174 B6R0.4 O=C(O)C=CCO MCULE-3375515425 [1,0,1,0,0,0|1,0,0]=3 1175 B6R0.4 O=C(O)CCCBr MCULE-5669825022 [1,0,1,0,0,0|1,0,1]=4 1176 B6R0.4 O=C(O)CCCCl MCULE-7721427391 [1,0,1,0,0,0|1,0,1]=4 1177 B6R0.4 O=C(O)CCCF MCULE-2415675768 [1,0,1,0,0,0|1,0,1]=4 1178 B6R0.4 O=C(O)CCCI MCULE-7794841553 [1,0,1,0,0,0|1,0,1]=4 1179 B6R0.4 O=C(O)CCCS MCULE-3352840152 [1,0,1,0,0,0|1,0,1]=4 1180 B6R0.4 O=CC=CB(O)O MCULE-4655446000 [1,0,1,0,0,0|2,0,0]=4 1181 B6R0.6 C(=C/CCC)\CO MCULE-6491762150 [1,0,1,0,0,0|0,0,1]=3 1182 B6R0.6 C/C=C/C=C/C=O MCULE-9837225903 [1,0,1,0,0,0|0,0,2]=4 1183 B6R0.6 C/C=C/C=C/CO MCULE-3717958585 [1,0,1,0,0,0|1,0,1]=4 1184 B6R0.6 C/C=C/CCCC MCULE-6900331316 [1,0,1,0,0,0|1,0,1]=4 1185 B6R0.6 C/C=C/CCCO MCULE-9865436125 [1,0,1,0,0,0|1,0,1]=4 1186 B6R0.6 C/C=C\CCCC MCULE-8426867799 [1,0,1,0,0,0|1,0,1]=4 1187 B6R0.6 C/C=C\CCCO MCULE-3169839661 [1,0,1,0,0,0|1,0,1]=4 1188 B6R0.6 C=CC=CCCBr MCULE-8528821525 [1,0,1,0,0,0|2,0,0]=4 1189 B6R0.6 C=CC=CCCN MCULE-8129949310 [1,0,1,0,0,0|2,0,0]=4 1190 B6R0.6 C=CC=CCCO MCULE-5956097722 [1,0,1,0,0,0|1,0,0]=3 1191 B6R0.6 C=CCC/C=C/C MCULE-3936427871 [1,0,1,0,0,0|2,0,0]=4 1192 B6R0.6 C=CCCC=CC MCULE-6481809840 [1,0,1,0,0,0|2,0,0]=4 1193 B6R0.6 C=CCCCC=O MCULE-8676840281 [1,0,1,0,0,0|1,0,0]=3 1194 B6R0.6 C=CCOCC=O MCULE-8507800253 [1,0,1,0,0,0|2,0,0]=4 1195 B6R0.6 CC/C=C/CCC MCULE-5222700461 [1,0,1,0,0,0|1,0,1]=4 1196 B6R0.6 CC/C=C/CCO MCULE-9853729917 [1,0,1,0,0,0|1,0,1]=4 1197 B6R0.6 CC/C=C\CC=O MCULE-1715953159 [1,0,1,0,0,0|0,0,2]=4 1198 B6R0.6 CC/C=C\CCO MCULE-9206958060 [1,0,1,0,0,0|1,0,1]=4 1199 B6R0.6 CC=CC=CC=O MCULE-7370101773 [1,0,1,0,0,0|0,0,2]=4 1200 B6R0.6 CC=CC=CCN MCULE-9780064235 [1,0,1,0,0,0|2,0,0]=4 1201 B6R0.6 CC=CC=CCO MCULE-1802738822 [1,0,1,0,0,0|1,0,1]=4 1202 B6R0.6 CC=CCCCC MCULE-7277981733 [1,0,1,0,0,0|1,0,1]=4 1203 B6R0.6 CC=CCCCO MCULE-1401303632 [1,0,1,0,0,0|1,0,1]=4 1204 B6R0.6 CC=CSCCC MCULE-3534082442 [1,0,1,0,0,0|2,0,0]=4 1205 B6R0.6 CCC/C=C/C=O MCULE-3059768922 [1,0,1,0,0,0|0,0,0]=2 1206 B6R0.6 CCC=CCC=O MCULE-5764198290 [1,0,1,0,0,0|0,0,2]=4 1207 B6R0.6 CCC=CCCC MCULE-3739501724 [1,0,1,0,0,0|1,0,1]=4 1208 B6R0.6 CCC=CCCO MCULE-1781375433 [1,0,1,0,0,0|1,0,1]=4 1209 B6R0.6 CCC=COCC MCULE-1991976030 [1,0,1,0,0,0|0,0,1]=3 1210 B6R0.6 CCCC=CC=O MCULE-5273169296 [1,0,1,0,0,0|0,0,0]=2 1211 B6R0.6 CCCC=CCBr MCULE-2474104566 [1,0,1,0,0,0|1,0,1]=4 1212 B6R0.6 CCCC=CCO MCULE-3204738641 [1,0,1,0,0,0|0,0,1]=3 1213 B6R0.6 CCCCCC=O MCULE-6770578514 [1,0,1,0,0,0|0,0,2]=4 1214 B6R0.6 CCCCNC=O MCULE-8821792924 [1,0,1,0,0,0|1,0,1]=4 1215 B6R0.6 CCCCOC=O MCULE-4633421026 [1,0,1,0,0,0|0,0,2]=4 1216 B6R0.6 CCO/C=C/C#N MCULE-4278586794 [1,0,1,0,0,0|1,0,1]=4 1217 B6R0.6 CCOC=CC#N MCULE-5002780993 [1,0,1,0,0,0|1,0,1]=4 1218 B6R0.6 O=CCCCC=O MCULE-6802048757 [1,0,1,0,0,0|2,0,0]=4 1219 B6R0.6 O=CCCCCO MCULE-7959082228 [1,0,1,0,0,0|0,0,2]=4 1220 B6R0.6 O=CNCCCO MCULE-7926485528 [1,0,1,0,0,0|1,0,1]=4 1221 B6R1.1 C1=CCCC=C1 MCULE-9111393952 [2,0,0,0,0,0|1,0,0]=3 1222 B6R1.1 C1=CCCCC1 MCULE-3564016252 [2,0,0,0,0,0|1,0,1]=4 1223 B6R1.1 C1=CCNCC1 MCULE-4850984502 [2,0,0,0,0,0|1,0,1]=4 1224 B6R1.1 C1=CCNCC1 MCULE-9744767398 [2,0,0,0,0,0|1,0,1]=4 1225 B6R1.1 C1=CCOCC1 MCULE-7723901693 [2,0,0,0,0,0|0,0,1]=3 1226 B6R1.1 C1=CCONC1 MCULE-7264346127 [2,0,0,0,0,0|1,0,1]=4 1227 B6R1.1 C1=CCONC1 MCULE-7621269131 [2,0,0,0,0,0|1,0,1]=4 1228 B6R1.1 C1=COCCC1 MCULE-1260841717 [2,0,0,0,0,0|0,0,1]=3 1229 B6R1.1 C1=COCCO1 MCULE-2562788031 [2,0,0,0,0,0|1,0,0]=3 1230 B6R1.1 C1=COCOC1 MCULE-9916358884 [2,0,0,0,0,0|1,0,1]=4 1231 B8R0.5 C/C=C/C(=O)OC(C)C MCULE-1616974622 [0,1,1,0,0,0|0,0,0]=2 1232 B8R0.5 CC(=CC=O)CC(C)C MCULE-4061823977 [0,1,1,0,0,0|2,0,0]=4 1233 B8R0.5 CC(C)OC(=O)/C=C\I MCULE-9006559036 [0,1,1,0,0,0|0,0,0]=2 1234 B8R0.5 CC(C)OC(=O)C=CI MCULE-8435174214 [0,1,1,0,0,0|0,0,0]=2 1235 B8R0.5 CC(C)OC(=O)CC#N MCULE-7936509362 [0,1,1,0,0,0|0,0,2]=4 1236 B8R0.5 CC(C)OC(=O)CCBr MCULE-2382797929 [0,1,1,0,0,0|0,0,2]=4 1237 B8R0.5 CC(C)OC(=O)CCCl MCULE-7655932888 [0,1,1,0,0,0|0,0,2]=4 1238 B8R0.5 CC(C)OC(=O)CCN MCULE-8590072190 [0,1,1,0,0,0|0,0,2]=4 1239 B8R0.5 CC(C)OC(=O)CCS MCULE-6681403441 [0,1,1,0,0,0|0,0,2]=4 1240 B8R0.5 CC(C)OC(=O)OCCl MCULE-6987085424 [0,1,1,0,0,0|1,0,1]=4 1241 B8R0.5 CC(C)OC(=O)OCI MCULE-7199284723 [0,1,1,0,0,0|1,0,1]=4 1242 B8R0.5 CC=CC(=O)OC(C)C MCULE-1964573167 [0,1,1,0,0,0|0,0,0]=2 1243 B8R0.5 CCCC(=O)OC(C)C MCULE-1932528429 [0,1,1,0,0,0|0,0,2]=4 1244 B8R0.5 CCCC(C)OC(=O)C MCULE-2841775696 [0,1,1,0,0,0|0,0,2]=4 1245 B8R0.5 CCCC(C)OC(=O)Cl MCULE-8719460411 [0,1,1,0,0,0|1,0,1]=4 1246 B8R0.5 CCCC(C)OC(=O)N MCULE-5471819133 [0,1,1,0,0,0|1,0,1]=4 1247 B8R0.5 COCC(=O)OC(C)C MCULE-3543304597 [0,1,1,0,0,0|0,0,2]=4 1248 B8R0.5 COCC(C)OC(=O)C MCULE-8540773364 [0,1,1,0,0,0|0,0,2]=4 1249 B8R0.5 COCC(C)OC(=O)Cl MCULE-3426225357 [0,1,1,0,0,0|1,0,1]=4 1250 B8R0.16 C=CC(CC)OC(=O)C MCULE-4764266837 [0,1,1,0,0,0|0,0,2]=4 1251 B8R0.19 CCC(=O)OC(C)CC MCULE-9589388650 [0,1,1,0,0,0|0,0,2]=4 1252 B8R0.19 CCC(C)OC(=O)NN MCULE-8409912635 [0,1,1,0,0,0|1,0,1]=4 1253 B8R0.23 C=C(C)C(=O)NC(C)C MCULE-6969715832 [0,1,1,0,0,0|1,0,0]=3 1254 B8R0.23 C=C(C)C(=O)OC(C)C MCULE-7412492861 [0,1,1,0,0,0|0,0,0]=2 1255 B8R0.23 CC(=O)C(=O)CC(C)C MCULE-9490612135 [0,1,1,0,0,0|1,0,1]=4 1256 B8R0.23 CC(=O)C(=O)OC(C)C MCULE-5022020155 [0,1,1,0,0,0|0,0,1]=3 1257 B8R0.23 CC(C)CC(=O)C(=O)O MCULE-4155006996 [0,1,1,0,0,0|2,0,0]=4 1258 B8R0.23 CC(C)CC(=O)C(=O)[O-] MCULE-1379368650 [0,1,1,0,0,0|2,0,0]=4 1259 B8R0.23 CC(C)CC(=O)C(=O)[O-] MCULE-8698784345 [0,1,1,0,0,0|2,0,0]=4 1260 B8R0.23 CC(C)NC(=O)C(=O)O MCULE-3351257571 [0,1,1,0,0,0|2,0,0]=4 1261 B8R0.23 CC(C)OC(=O)C(C)Br MCULE-6497706811 [0,1,1,0,0,0|0,0,2]=4 1262 B8R0.23 CC(C)OC(=O)C(C)C MCULE-6600918499 [0,1,1,0,0,0|0,0,2]=4 1263 B8R0.23 CC(C)OC(=O)C(C)N MCULE-1348323004 [0,1,1,0,0,0|0,0,2]=4 1264 B8R0.23 CC(C)OC(=O)C(C)N MCULE-1795700258 [0,1,1,0,0,0|0,0,2]=4 1265 B8R0.23 CC(C)OC(=O)C(C)N MCULE-4316512376 [0,1,1,0,0,0|0,0,2]=4 1266 B8R0.23 CC(C)OC(=O)C(C)N MCULE-9367187198 [0,1,1,0,0,0|0,0,2]=4 1267 B8R0.23 CC(C)OC(=O)N(C)C MCULE-9193649781 [0,1,1,0,0,0|1,0,1]=4 1268 B8R0.23 CC(C)OC(=O)[C@@H](C)N MCULE-2922878846 [0,1,1,0,0,0|0,0,2]=4 1269 B8R0.23 CC(C)OC(=O)[C@@H](C)N MCULE-6865398945 [0,1,1,0,0,0|0,0,2]=4 1270 B8R0.23 CC(C)OC(=O)[C@@H](C)N MCULE-6991704132 [0,1,1,0,0,0|0,0,2]=4 1271 B8R0.23 CC(C)OC(=O)[C@@H](C)N MCULE-7311326252 [0,1,1,0,0,0|0,0,2]=4 1272 B8R0.23 CC(C)OC(=O)[C@H](C)N MCULE-1976586999 [0,1,1,0,0,0|0,0,2]=4 1273 B8R0.23 CC(C)OC(=O)[C@H](C)N MCULE-2644914807 [0,1,1,0,0,0|0,0,2]=4 1274 B8R0.23 CC(C)OC(=O)[C@H](C)N MCULE-2911837562 [0,1,1,0,0,0|0,0,2]=4 1275 B8R0.23 CC(C)OC(=O)[C@H](C)N MCULE-6075128478 [0,1,1,0,0,0|0,0,2]=4 1276 B8R0.23 CC(C)OC(=O)[C@H](C)O MCULE-9709197677 [0,1,1,0,0,0|0,0,2]=4 1277 B8R0.24 C#CC(=O)OC(C)(C)C MCULE-4479684055 [0,1,1,0,0,0|0,0,2]=4 1278 B8R0.24 C=CC(=C)O[Si](C)(C)C MCULE-4660653636 [0,1,1,0,0,0|1,1,0]=4 1279 B8R0.24 C=CC(=O)NC(C)(C)C MCULE-9204329789 [0,1,1,0,0,0|1,0,0]=3 1280 B8R0.24 C=CC(=O)OC(C)(C)C MCULE-8872836724 [0,1,1,0,0,0|0,0,0]=2 1281 B8R0.24 C=CC(=O)O[Si](C)(C)C MCULE-3320105074 [0,1,1,0,0,0|0,1,0]=3 1282 B8R0.24 CC(C)(C)OC(=O)C#N MCULE-6943844794 [0,1,1,0,0,0|1,0,1]=4 1283 B8R0.24 CC(C)(C)OC(=O)C=O MCULE-3379601471 [0,1,1,0,0,0|1,0,0]=3 1284 B8R0.24 CC(C)(C)OC(=O)CBr MCULE-4499759965 [0,1,1,0,0,0|1,0,1]=4 1285 B8R0.24 CC(C)(C)OC(=O)CCl MCULE-5971996705 [0,1,1,0,0,0|1,0,1]=4 1286 B8R0.24 CC(C)(C)OC(=O)CI MCULE-2732895810 [0,1,1,0,0,0|1,0,1]=4 1287 B8R0.24 CC(C)(C)OC(=O)CN MCULE-3309568193 [0,1,1,0,0,0|1,0,1]=4 1288 B8R0.24 CC(C)(C)OC(=O)CN MCULE-6386011239 [0,1,1,0,0,0|1,0,1]=4 1289 B8R0.24 CC(C)(C)OC(=O)CN MCULE-7116476832 [0,1,1,0,0,0|1,0,1]=4 1290 B8R0.24 CC(C)(C)OC(=O)CO MCULE-5147843466 [0,1,1,0,0,0|1,0,1]=4 1291 B8R0.24 CC(C)(C)OC(=O)CS MCULE-2812843756 [0,1,1,0,0,0|1,0,1]=4 1292 B8R0.24 CC(C)(C)OC(=O)NN MCULE-7583988384 [0,1,1,0,0,0|2,0,0]=4 1293 B8R0.24 CC(C)(C)OC(=O)NO MCULE-6535596246 [0,1,1,0,0,0|2,0,0]=4 1294 B8R0.24 CCC(=O)OC(C)(C)C MCULE-1989062577 [0,1,1,0,0,0|0,0,2]=4 1295 B8R0.24 CNC(=O)OC(C)(C)C MCULE-6409542037 [0,1,1,0,0,0|1,0,1]=4 1296 B8R0.24 COC(=O)OC(C)(C)C MCULE-4865384314 [0,1,1,0,0,0|1,0,1]=4 1297 B8R0.34 CC(=O)OC(C)(C)CO MCULE-6739454773 [0,1,1,0,0,0|1,0,1]=4 1298 B8R0.34 CCC(C)(C)OC(=O)C MCULE-9920396593 [0,1,1,0,0,0|0,0,2]=4 1299 B8R0.6 C/C=C/C=C/C(=O)NO MCULE-9503665605 [0,1,1,0,0,0|0,0,2]=4 1300 B8R0.6 C/C=C/C=C/C(=O)OC MCULE-2985403088 [0,1,1,0,0,0|0,0,2]=4 1301 B8R0.6 CC=CC=CC(=O)NO MCULE-8685680181 [0,1,1,0,0,0|0,0,2]=4 1302 B8R0.6 CC=CC=CC(=O)OC MCULE-4040454111 [0,1,1,0,0,0|0,0,2]=4 1303 B8R0.6 CCC/C=C/C(=O)OC MCULE-6273561448 [0,1,1,0,0,0|0,0,0]=2 1304 B8R0.6 CCC=CCC(=O)OC MCULE-6432541061 [0,1,1,0,0,0|0,0,2]=4 1305 B8R0.6 CCCC#CC(=O)OC MCULE-1573744334 [0,1,1,0,0,0|0,0,2]=4 1306 B8R0.6 CCCC=CC(=O)OC MCULE-1227063444 [0,1,1,0,0,0|0,0,0]=2 1307 B8R0.6 CCCCCC(=O)NO MCULE-8432990947 [0,1,1,0,0,0|0,0,2]=4 1308 B8R0.6 CCCCCC(=O)OC MCULE-2317616388 [0,1,1,0,0,0|0,0,2]=4 1309 B8R0.6 CCCCOC(=O)CO MCULE-4016266350 [0,1,1,0,0,0|1,0,1]=4 1310 B8R0.6 CCCNCC(=O)OC MCULE-3321545319 [0,1,1,0,0,0|1,0,1]=4 1311 B8R0.6 CCCNCC(=O)OC MCULE-5989619684 [0,1,1,0,0,0|1,0,1]=4 1312 B8R0.6 CCCSCC(=O)OC MCULE-3865642484 [0,1,1,0,0,0|1,0,1]=4 1313 B8R0.6 COC/C=C/C(=O)OC MCULE-5611593935 [0,1,1,0,0,0|1,0,0]=3 1314 B8R0.6 COCC=CC(=O)OC MCULE-1098723055 [0,1,1,0,0,0|1,0,0]=3 1315 B8R0.7 CCC=CC=CC(=O)O MCULE-2259149573 [0,1,1,0,0,0|0,0,1]=3 1316 B8R0.7 CCCC/C=C/B(O)O MCULE-9877577042 [0,1,1,0,0,0|1,0,1]=4 1317 B8R0.7 CCCC/C=C/C(=O)C MCULE-1532446839 [0,1,1,0,0,0|1,0,0]=3 1318 B8R0.7 CCCC/C=C/C(=O)O MCULE-6916224344 [0,1,1,0,0,0|0,0,0]=2 1319 B8R0.7 CCCC=CCC(=O)O MCULE-3879649411 [0,1,1,0,0,0|0,0,0]=2 1320 B8R0.7 CCCCC#CC(=O)O MCULE-4160128187 [0,1,1,0,0,0|0,0,2]=4 1321 B8R0.7 CCCCC=CB(O)O MCULE-3896372455 [0,1,1,0,0,0|1,0,1]=4 1322 B8R0.7 CCCCC=CC(=O)C MCULE-6026245958 [0,1,1,0,0,0|1,0,0]=3 1323 B8R0.7 CCCCC=CC(=O)Cl MCULE-3883159938 [0,1,1,0,0,0|1,0,0]=3 1324 B8R0.7 CCCCC=CC(=O)O MCULE-6837768730 [0,1,1,0,0,0|0,0,0]=2 1325 B8R0.7 CCCCCCC(=O)O MCULE-1489137568 [0,1,1,0,0,0|0,0,2]=4 1326 B8R0.7 CCCCNCC(=O)O MCULE-4725221957 [0,1,1,0,0,0|0,0,2]=4 1327 B8R0.7 CCCCOCC(=O)O MCULE-9634255761 [0,1,1,0,0,0|0,0,2]=4 1328 B8R0.7 CCCCSCC(=O)O MCULE-3580384865 [0,1,1,0,0,0|0,0,2]=4 1329 B8R0.7 CCCNCCC(=O)O MCULE-3144740259 [0,1,1,0,0,0|0,0,2]=4 1330 B8R0.7 CCCNCCC(=O)O MCULE-3866165037 [0,1,1,0,0,0|0,0,2]=4 1331 B8R0.7 CCCOCCC(=O)O MCULE-1927238608 [0,1,1,0,0,0|0,0,2]=4 1332 B8R0.7 CCCSC=CC(=O)O MCULE-3074287995 [0,1,1,0,0,0|0,0,0]=2 1333 B8R0.7 CCCSC=CC(=O)[O-] MCULE-9917981235 [0,1,1,0,0,0|0,0,1]=3 1334 B8R0.7 CCCSCCC(=O)O MCULE-6454518290 [0,1,1,0,0,0|0,0,2]=4 1335 B8R0.7 CCNCCCC(=O)O MCULE-7019386199 [0,1,1,0,0,0|0,0,2]=4 1336 B8R0.7 CCNCCCC(=O)O MCULE-8568253592 [0,1,1,0,0,0|0,0,2]=4 1337 B8R0.7 CCOCCCC(=O)O MCULE-9064011886 [0,1,1,0,0,0|0,0,2]=4 1338 B8R0.7 CNCCCCC(=O)O MCULE-4298567521 [0,1,1,0,0,0|0,0,2]=4 1339 B8R0.7 CNCCCCC(=O)O MCULE-5688320983 [0,1,1,0,0,0|0,0,2]=4 1340 B8R0.7 CNCCOCC(=O)O MCULE-5408672373 [0,1,1,0,0,0|1,0,1]=4 1341 B8R0.7 COCCCCC(=O)O MCULE-1268596288 [0,1,1,0,0,0|0,0,2]=4 1342 B8R0.7 COCCNCC(=O)O MCULE-2703110743 [0,1,1,0,0,0|1,0,1]=4 1343 B8R0.7 COCCNCC(=O)O MCULE-5854004501 [0,1,1,0,0,0|1,0,1]=4 1344 B8R0.7 COCCOCC(=O)O MCULE-2561278418 [0,1,1,0,0,0|1,0,1]=4 1345 B8R0.7 COCCSCC(=O)O MCULE-2908610834 [0,1,1,0,0,0|1,0,1]=4 1346 B8R0.7 CSCCCCC(=O)O MCULE-4498129620 [0,1,1,0,0,0|0,0,2]=4 1347 B8R0.7 CSCCNCC(=O)O MCULE-1747724833 [0,1,1,0,0,0|1,0,1]=4 1348 B8R0.7 CSCCNCC(=O)O MCULE-9991325079 [0,1,1,0,0,0|1,0,1]=4 1349 B8R0.7 CSCCOCC(=O)O MCULE-2038020159 [0,1,1,0,0,0|1,0,1]=4 1350 B8R0.7 NCCCCCC(=O)O MCULE-3640363033 [0,1,1,0,0,0|0,0,2]=4 1351 B8R0.7 NCCCCCC(=O)O MCULE-6389520144 [0,1,1,0,0,0|0,0,2]=4 1352 B8R0.7 NCCCNCC(=O)O MCULE-6526080048 [0,1,1,0,0,0|1,0,1]=4 1353 B8R0.7 NCCCNCC(=O)O MCULE-6762903438 [0,1,1,0,0,0|1,0,1]=4 1354 B8R0.7 NCCCOCC(=O)O MCULE-6428539436 [0,1,1,0,0,0|1,0,1]=4 1355 B8R0.7 O=C(O)CCCCCBr MCULE-2086088700 [0,1,1,0,0,0|0,0,2]=4 1356 B8R0.7 O=C(O)CCCCCCl MCULE-3419329115 [0,1,1,0,0,0|0,0,2]=4 1357 B8R0.7 O=C(O)CCCCCF MCULE-6736431365 [0,1,1,0,0,0|0,0,2]=4 1358 B8R0.7 O=C(O)CCCCCO MCULE-9202536119 [0,1,1,0,0,0|0,0,2]=4 1359 B8R0.7 O=C(O)CCCCCS MCULE-1414350107 [0,1,1,0,0,0|0,0,2]=4 1360 B8R0.7 O=C(O)COCCCBr MCULE-2393807719 [0,1,1,0,0,0|1,0,1]=4 1361 B8R0.7 OB(O)C=CCCCCl MCULE-2225843842 [0,1,1,0,0,0|1,0,1]=4 1362 B8R0.8 CCC/C=C(\C)/C(=O)O MCULE-4080682767 [0,1,1,0,0,0|0,0,0]=2 1363 B8R0.8 CCCC=C(C)C(=O)O MCULE-1072900673 [0,1,1,0,0,0|0,0,0]=2 1364 B8R0.8 CCCCC(=O)C(=O)C MCULE-5957201570 [0,1,1,0,0,0|1,0,1]=4 1365 B8R0.8 CCCCC(=O)C(=O)O MCULE-7796922508 [0,1,1,0,0,0|0,0,1]=3 1366 B8R0.8 CCCCC(=O)C(=O)[O-] MCULE-4575533706 [0,1,1,0,0,0|0,0,2]=4 1367 B8R0.8 CCCCC(Br)C(=O)O MCULE-5428502537 [0,1,1,0,0,0|0,0,2]=4 1368 B8R0.8 CCCCC(C)C(=O)O MCULE-7933263354 [0,1,1,0,0,0|0,0,2]=4 1369 B8R0.8 CCCCC(F)C(=O)O MCULE-2276381656 [0,1,1,0,0,0|0,0,2]=4 1370 B8R0.8 CCCCC(N)C(=O)O MCULE-4930484202 [0,1,1,0,0,0|0,0,2]=4 1371 B8R0.8 CCCCC(O)C(=O)O MCULE-2557585903 [0,1,1,0,0,0|0,0,2]=4 1372 B8R0.8 CCCC[C@@H](C)C(=O)O MCULE-3454696473 [0,1,1,0,0,0|0,0,2]=4 1373 B8R0.8 CCCC[C@@H](N)C(=O)O MCULE-3687527484 [0,1,1,0,0,0|0,0,2]=4 1374 B8R0.8 CCCC[C@@H](N)C(=O)O MCULE-9410581572 [0,1,1,0,0,0|0,0,2]=4 1375 B8R0.8 CCCC[C@H](C)C(=O)O MCULE-9016844851 [0,1,1,0,0,0|0,0,2]=4 1376 B8R0.8 CCCC[C@H](C)C(=O)O MCULE-9437190196 [0,1,1,0,0,0|0,0,2]=4 1377 B8R0.8 CCCC[C@H](N)C(=O)O MCULE-3656145338 [0,1,1,0,0,0|0,0,2]=4 1378 B8R0.8 CCCC[C@H](N)C(=O)O MCULE-7427914532 [0,1,1,0,0,0|0,0,2]=4 1379 B8R0.8 CCCNC(=O)C(=O)O MCULE-6074987864 [0,1,1,0,0,0|1,0,0]=3 1380 B8R0.8 CCCOC(C)C(=O)O MCULE-4477829415 [0,1,1,0,0,0|1,0,1]=4 1381 B8R0.8 CSCCC(=O)C(=O)O MCULE-6752350933 [0,1,1,0,0,0|1,0,1]=4 1382 B8R0.9 C(=CC(=O)NC)C(=O)O MCULE-6946307549 [0,1,1,0,0,0|1,0,1]=4 1383 B8R0.9 C=CC(=O)NCC(C)O MCULE-7092700588 [0,1,1,0,0,0|2,0,0]=4 1384 B8R0.9 C=CC(=O)OCC(C)O MCULE-5600840983 [0,1,1,0,0,0|2,0,0]=4 1385 B8R0.9 CC(C)OC=C(Br)C=O MCULE-2335632403 [0,1,1,0,0,0|2,0,0]=4 1386 B8R0.9 CC=C(C)C=CC(=O)O MCULE-4818681786 [0,1,1,0,0,0|0,0,2]=4 1387 B8R0.9 CCC(=CCC(=O)O)C MCULE-3358969895 [0,1,1,0,0,0|0,0,2]=4 1388 B8R0.9 CCC(=O)C=CC(=O)O MCULE-2770953486 [0,1,1,0,0,0|0,0,1]=3 1389 B8R0.9 CCC(C)CCC(=O)O MCULE-9270270979 [0,1,1,0,0,0|0,0,2]=4 1390 B8R0.9 CCC(C)NCC(=O)O MCULE-1578825700 [0,1,1,0,0,0|1,0,1]=4 1391 B8R0.9 CCC(C)NCC(=O)O MCULE-8981987872 [0,1,1,0,0,0|1,0,1]=4 1392 B8R0.9 CCC(C)OCC(=O)O MCULE-8235265405 [0,1,1,0,0,0|1,0,1]=4 1393 B8R0.9 CCC(N)CCC(=O)O MCULE-3116763773 [0,1,1,0,0,0|0,0,2]=4 1394 B8R0.9 CCC(N)CCC(=O)O MCULE-9126260921 [0,1,1,0,0,0|0,0,2]=4 1395 B8R0.9 CCC(O)CCC(=O)O MCULE-1512608136 [0,1,1,0,0,0|0,0,2]=4 1396 B8R0.9 CC[C@H](N)C=CC(=O)O MCULE-8933495159 [0,1,1,0,0,0|0,0,0]=2 1397 B8R0.9 CNC(=O)/C=C\C(=O)O MCULE-9272095560 [0,1,1,0,0,0|1,0,1]=4 1398 B8R0.9 COC(=O)/C=C/C(=O)O MCULE-6611318809 [0,1,1,0,0,0|1,0,1]=4 1399 B8R0.9 COC(=O)/C=C\C(=O)O MCULE-6268249504 [0,1,1,0,0,0|1,0,1]=4 1400 B8R0.9 COC(=O)C=CC(=O)O MCULE-3111892186 [0,1,1,0,0,0|1,0,1]=4 1401 B8R0.28 CC(=CCCC(C)O)C MCULE-6046871097 [0,1,1,0,0,0|1,0,1]=4 1402 B8R0.28 CC(=CCC[C@@H](C)O)C MCULE-5913564496 [0,1,1,0,0,0|1,0,1]=4 1403 B8R0.28 CC(=CCC[C@@H](C)O)C MCULE-8239445037 [0,1,1,0,0,0|1,0,1]=4 1404 B8R0.28 CC(=CCC[C@H](C)O)C MCULE-3685132186 [0,1,1,0,0,0|1,0,1]=4 1405 B8R0.28 CC(=CCC[C@H](C)O)C MCULE-7339160655 [0,1,1,0,0,0|1,0,1]=4 1406 B8R0.28 CC(=O)/C=C/CC(C)C MCULE-3347834086 [0,1,1,0,0,0|1,0,0]=3 1407 B8R0.28 CC(=O)C=CCC(C)C MCULE-7397904120 [0,1,1,0,0,0|1,0,0]=3 1408 B8R0.28 CC(=O)CC=CC(=O)O MCULE-9526483708 [0,1,1,0,0,0|0,0,1]=3 1409 B8R0.28 CC(C)/C=C/CC(=O)O MCULE-6288178603 [0,1,1,0,0,0|0,0,2]=4 1410 B8R0.28 CC(C)C/C=C/B(O)O MCULE-5702659904 [0,1,1,0,0,0|1,0,1]=4 1411 B8R0.28 CC(C)C/C=C/N(=O)=O MCULE-5334415394 [0,1,1,0,0,0|1,0,1]=4 1412 B8R0.28 CC(C)C=CCC(=O)O MCULE-1057297040 [0,1,1,0,0,0|0,0,2]=4 1413 B8R0.28 CC(C)CC=CB(O)O MCULE-6244763779 [0,1,1,0,0,0|1,0,1]=4 1414 B8R0.28 CC(C)CC=CC(=O)O MCULE-4966710694 [0,1,1,0,0,0|0,0,0]=2 1415 B8R0.28 CC(C)CCCC(=O)O MCULE-3645348479 [0,1,1,0,0,0|0,0,2]=4 1416 B8R0.28 CC(C)CNCC(=O)O MCULE-4695293444 [0,1,1,0,0,0|1,0,1]=4 1417 B8R0.28 CC(C)CNCC(=O)O MCULE-9936739681 [0,1,1,0,0,0|1,0,1]=4 1418 B8R0.28 CC(C)COCC(=O)O MCULE-8643896966 [0,1,1,0,0,0|1,0,1]=4 1419 B8R0.28 CC(C)CSCC(=O)O MCULE-5182400762 [0,1,1,0,0,0|1,0,1]=4 1420 B8R0.28 CC(O)CCCC(=O)O MCULE-6696855762 [0,1,1,0,0,0|0,0,2]=4 1421 B8R0.28 CC(O)CCCC(=O)[O-] MCULE-7722587632 [0,1,1,0,0,0|0,0,2]=4 1422 B8R0.28 CN(C)C/C=C/C(=O)O MCULE-2726508724 [0,1,1,0,0,0|1,0,0]=3 1423 B8R0.28 CN(C)C/C=C/C(=O)O MCULE-2945466855 [0,1,1,0,0,0|1,0,0]=3 1424 B8R0.28 CN(C)CC=CC(=O)O MCULE-5265576987 [0,1,1,0,0,0|1,0,0]=3 1425 B8R0.28 CN(C)CC=CC(=O)O MCULE-6262530852 [0,1,1,0,0,0|1,0,0]=3 1426 B8R0.28 O=C(O)/C=C/CC(=O)O MCULE-3754065542 [0,1,1,0,0,0|1,0,1]=4 1427 B8R0.28 O=C(O)C=CCC(=O)O MCULE-2034660220 [0,1,1,0,0,0|1,0,1]=4 1428 B8R0.1 C/C=C/C(=O)CCCC MCULE-6753420308 [0,1,1,0,0,0|1,0,0]=3 1429 B8R0.1 C=CC=CC(=O)OCC MCULE-4508819548 [0,1,1,0,0,0|0,0,1]=3 1430 B8R0.1 C=CCCC(=O)OCC MCULE-4147956319 [0,1,1,0,0,0|0,0,2]=4 1431 B8R0.1 C=CCOC(=O)/C=C/C MCULE-8988055269 [0,1,1,0,0,0|0,0,1]=3 1432 B8R0.1 C=CCOC(=O)OCC MCULE-4897941593 [0,1,1,0,0,0|0,0,2]=4 1433 B8R0.1 CC#CCC(=O)OCC MCULE-3108892964 [0,1,1,0,0,0|0,0,2]=4 1434 B8R0.1 CC(COC=O)OC=O MCULE-3062783255 [0,1,1,0,0,0|1,0,0]=3 1435 B8R0.1 CC/C=C/C(=O)OCC MCULE-6281513551 [0,1,1,0,0,0|0,0,0]=2 1436 B8R0.1 CC=CC(=O)CCCC MCULE-2281679965 [0,1,1,0,0,0|1,0,0]=3 1437 B8R0.1 CCC#CC(=O)OCC MCULE-2785923283 [0,1,1,0,0,0|0,0,2]=4 1438 B8R0.1 CCC=CC(=O)OCC MCULE-2840510617 [0,1,1,0,0,0|0,0,0]=2 1439 B8R0.1 CCCC(=O)OCCCl MCULE-8469083528 [0,1,1,0,0,0|0,0,2]=4 1440 B8R0.1 CCCC(=O)OCCO MCULE-5942976945 [0,1,1,0,0,0|0,0,2]=4 1441 B8R0.1 CCCC(C)COC=O MCULE-4206126891 [0,1,1,0,0,0|0,0,2]=4 1442 B8R0.1 CCCCC(=O)OCC MCULE-1219537918 [0,1,1,0,0,0|0,0,2]=4 1443 B8R0.1 CCCOC(=O)CCC MCULE-7673125406 [0,1,1,0,0,0|0,0,2]=4 1444 B8R0.1 CCNCC(=O)OCC MCULE-7972358572 [0,1,1,0,0,0|0,0,2]=4 1445 B8R0.1 CCNCC(=O)OCC MCULE-8893227629 [0,1,1,0,0,0|0,0,2]=4 1446 B8R0.1 CCOC(=O)/C=C/C=O MCULE-9219622537 [0,1,1,0,0,0|0,0,1]=3 1447 B8R0.1 CCOC(=O)/C=C/CBr MCULE-5352661836 [0,1,1,0,0,0|0,0,0]=2 1448 B8R0.1 CCOC(=O)/C=C/CO MCULE-7879343808 [0,1,1,0,0,0|0,0,0]=2 1449 B8R0.1 CCOC(=O)/C=C\C#N MCULE-4457021806 [0,1,1,0,0,0|0,0,1]=3 1450 B8R0.1 CCOC(=O)/C=N/NC MCULE-1711872477 [0,1,1,0,0,0|1,0,0]=3 1451 B8R0.1 CCOC(=O)/C=N/OC MCULE-3959533877 [0,1,1,0,0,0|1,0,0]=3 1452 B8R0.1 CCOC(=O)C#CCO MCULE-5094094961 [0,1,1,0,0,0|0,0,2]=4 1453 B8R0.1 CCOC(=O)C=CC#N MCULE-2321976691 [0,1,1,0,0,0|0,0,1]=3 1454 B8R0.1 CCOC(=O)C=CC=O MCULE-7165096046 [0,1,1,0,0,0|0,0,1]=3 1455 B8R0.1 CCOC(=O)C=CCBr MCULE-6455444227 [0,1,1,0,0,0|0,0,0]=2 1456 B8R0.1 CCOC(=O)C=CCCl MCULE-7995326623 [0,1,1,0,0,0|0,0,0]=2 1457 B8R0.1 CCOC(=O)C=CCN MCULE-4129018658 [0,1,1,0,0,0|0,0,0]=2 1458 B8R0.1 CCOC(=O)C=CCN MCULE-5635501690 [0,1,1,0,0,0|0,0,0]=2 1459 B8R0.1 CCOC(=O)C=CCN MCULE-9641729290 [0,1,1,0,0,0|0,0,0]=2 1460 B8R0.1 CCOC(=O)C=CCO MCULE-7710620250 [0,1,1,0,0,0|0,0,0]=2 1461 B8R0.1 CCOC(=O)CCC=O MCULE-2891201608 [0,1,1,0,0,0|1,0,1]=4 1462 B8R0.1 CCOC(=O)CCCBr MCULE-5001503693 [0,1,1,0,0,0|0,0,2]=4 1463 B8R0.1 CCOC(=O)CCCCl MCULE-4945067440 [0,1,1,0,0,0|0,0,2]=4 1464 B8R0.1 CCOC(=O)CCCI MCULE-3229549270 [0,1,1,0,0,0|0,0,2]=4 1465 B8R0.1 CCOC(=O)CCCN MCULE-3396270547 [0,1,1,0,0,0|0,0,2]=4 1466 B8R0.1 CCOC(=O)CCCO MCULE-6165580365 [0,1,1,0,0,0|0,0,2]=4 1467 B8R0.1 CCOC(=O)CCCS MCULE-6616511520 [0,1,1,0,0,0|0,0,2]=4 1468 B8R0.1 CCOC(=O)CCC[NH3+] MCULE-4462126494 [0,1,1,0,0,0|0,0,2]=4 1469 B8R0.1 CCOC(=O)CCNC MCULE-2052970996 [0,1,1,0,0,0|0,0,2]=4 1470 B8R0.1 CCOC(=O)CCNC MCULE-5442289273 [0,1,1,0,0,0|0,0,2]=4 1471 B8R0.1 CCOC(=O)CCOC MCULE-5983048130 [0,1,1,0,0,0|0,0,2]=4 1472 B8R0.1 CCOC(=O)CCSC MCULE-6834820952 [0,1,1,0,0,0|0,0,2]=4 1473 B8R0.1 CCOC(=O)CNC=O MCULE-7904243111 [0,1,1,0,0,0|1,0,1]=4 1474 B8R0.1 CCOC(=O)CSCC MCULE-5930366300 [0,1,1,0,0,0|0,0,2]=4 1475 B8R0.1 CCOC(=O)NCCBr MCULE-4386850032 [0,1,1,0,0,0|1,0,1]=4 1476 B8R0.1 CCOC(=O)NCCCl MCULE-5545666176 [0,1,1,0,0,0|1,0,1]=4 1477 B8R0.1 CCOC(=O)NCCN MCULE-1497223307 [0,1,1,0,0,0|1,0,1]=4 1478 B8R0.1 CCOC(=O)NCCN MCULE-3733943315 [0,1,1,0,0,0|1,0,1]=4 1479 B8R0.1 CCOC(=O)NCCO MCULE-7625780069 [0,1,1,0,0,0|1,0,1]=4 1480 B8R0.1 CCOC(=O)OCCBr MCULE-4627499799 [0,1,1,0,0,0|1,0,1]=4 1481 B8R0.1 CCOCC(=O)OCC MCULE-5439289896 [0,1,1,0,0,0|0,0,2]=4 1482 B8R0.3 C/C=C(\C)/C(=O)OCC MCULE-1104279471 [0,1,1,0,0,0|0,0,0]=2 1483 B8R0.3 C/C=C/C(=O)C(C)CC MCULE-6778188943 [0,1,1,0,0,0|1,0,0]=3 1484 B8R0.3 C=C(C#N)C(=O)OCC MCULE-3016936964 [0,1,1,0,0,0|1,0,1]=4 1485 B8R0.3 C=C(CBr)C(=O)OCC MCULE-6501442073 [0,1,1,0,0,0|1,0,1]=4 1486 B8R0.3 C=C(CC)C(=O)OCC MCULE-9081813283 [0,1,1,0,0,0|0,0,1]=3 1487 B8R0.3 C=C(CCl)C(=O)OCC MCULE-4468934608 [0,1,1,0,0,0|1,0,1]=4 1488 B8R0.3 C=C(CO)C(=O)OCC MCULE-6343981167 [0,1,1,0,0,0|1,0,1]=4 1489 B8R0.3 C=CC(=O)C(=O)OCC MCULE-1301231078 [0,1,1,0,0,0|0,0,1]=3 1490 B8R0.3 C=CC(C)C(=O)OCC MCULE-4071009556 [0,1,1,0,0,0|0,0,2]=4 1491 B8R0.3 C=CC(O)C(=O)OCC MCULE-6322032023 [0,1,1,0,0,0|0,0,2]=4 1492 B8R0.3 CC=C(C)C(=O)OCC MCULE-1202888826 [0,1,1,0,0,0|0,0,0]=2 1493 B8R0.3 CC=CC(=O)C(C)CC MCULE-2922799117 [0,1,1,0,0,0|1,0,0]=3 1494 B8R0.3 CCCC(=O)C(=O)OC MCULE-5789275467 [0,1,1,0,0,0|2,0,0]=4 1495 B8R0.3 CCNC(=O)C(=O)NC MCULE-1033646355 [0,1,1,0,0,0|2,0,0]=4 1496 B8R0.3 CCOC(=O)/C(=C/O)/Cl MCULE-5353637265 [0,1,1,0,0,0|1,0,0]=3 1497 B8R0.3 CCOC(=O)/C(=C/[O-])/Cl MCULE-1667116837 [0,1,1,0,0,0|1,0,0]=3 1498 B8R0.3 CCOC(=O)/C(=N/N)/N MCULE-2189725258 [0,1,1,0,0,0|2,0,0]=4 1499 B8R0.3 CCOC(=O)/C(=N/O)/Cl MCULE-3204014001 [0,1,1,0,0,0|2,0,0]=4 1500 B8R0.3 CCOC(=O)/C(=N\O)/Cl MCULE-2082763927 [0,1,1,0,0,0|2,0,0]=4 1501 B8R0.3 CCOC(=O)/C(=N\O)/N MCULE-1558189438 [0,1,1,0,0,0|2,0,0]=4 1502 B8R0.3 CCOC(=O)C(=N)NN MCULE-1468538682 [0,1,1,0,0,0|2,0,0]=4 1503 B8R0.3 CCOC(=O)C(=N)SC MCULE-1399563180 [0,1,1,0,0,0|1,0,0]=3 1504 B8R0.3 CCOC(=O)C(=NC)Cl MCULE-1326218878 [0,1,1,0,0,0|1,0,0]=3 1505 B8R0.3 CCOC(=O)C(=NO)C MCULE-5698950336 [0,1,1,0,0,0|2,0,0]=4 1506 B8R0.3 CCOC(=O)C(=NO)Cl MCULE-7370047890 [0,1,1,0,0,0|2,0,0]=4 1507 B8R0.3 CCOC(=O)C(=O)CBr MCULE-1292003261 [0,1,1,0,0,0|1,0,1]=4 1508 B8R0.3 CCOC(=O)C(=O)CC MCULE-6268795804 [0,1,1,0,0,0|0,0,1]=3 1509 B8R0.3 CCOC(=O)C(=O)NC MCULE-7000353340 [0,1,1,0,0,0|1,0,0]=3 1510 B8R0.3 CCOC(=O)C(=O)NN MCULE-2508041863 [0,1,1,0,0,0|2,0,0]=4 1511 B8R0.3 CCOC(=O)C(Br)CC MCULE-2467634064 [0,1,1,0,0,0|0,0,2]=4 1512 B8R0.3 CCOC(=O)C(C)C=O MCULE-9226849500 [0,1,1,0,0,0|1,0,1]=4 1513 B8R0.3 CCOC(=O)C(C)CC MCULE-3895639860 [0,1,1,0,0,0|0,0,2]=4 1514 B8R0.3 CCOC(=O)C(C)NC MCULE-3023497472 [0,1,1,0,0,0|1,0,1]=4 1515 B8R0.3 CCOC(=O)C(C)SC MCULE-5858818190 [0,1,1,0,0,0|1,0,1]=4 1516 B8R0.3 CCOC(=O)C(Cl)C=O MCULE-7751421571 [0,1,1,0,0,0|1,0,1]=4 1517 B8R0.3 CCOC(=O)C(Cl)SC MCULE-3290320839 [0,1,1,0,0,0|1,0,1]=4 1518 B8R0.3 CCOC(=O)C(N)CC MCULE-1078770122 [0,1,1,0,0,0|0,0,2]=4 1519 B8R0.3 CCOC(=O)C(N)CC MCULE-4005480919 [0,1,1,0,0,0|0,0,2]=4 1520 B8R0.3 CCOC(=O)C(N)CC MCULE-7008098270 [0,1,1,0,0,0|0,0,2]=4 1521 B8R0.3 CCOC(=O)C(N)CC MCULE-9698514597 [0,1,1,0,0,0|0,0,2]=4 1522 B8R0.3 CCOC(=O)C(O)CC MCULE-7418568069 [0,1,1,0,0,0|0,0,2]=4 1523 B8R0.3 CCOC(=O)C(S)CC MCULE-8709451175 [0,1,1,0,0,0|0,0,2]=4 1524 B8R0.3 CCOC(=O)C([Na])C=O MCULE-2917644984 [0,1,1,0,0,0|1,0,1]=4 1525 B8R0.3 CCOC(=O)N(C)CC MCULE-7562822763 [0,1,1,0,0,0|1,0,1]=4 1526 B8R0.3 CCOC(=O)N(C)OC MCULE-2061988934 [0,1,1,0,0,0|2,0,0]=4 1527 B8R0.3 CCOC(=O)[C-](Cl)C=O MCULE-3360882583 [0,1,1,0,0,0|1,0,1]=4 1528 B8R0.3 CCOC(=O)[C-](Cl)C=O MCULE-7337267098 [0,1,1,0,0,0|1,0,1]=4 1529 B8R0.3 CCOC(=O)[C@@H](C)OC MCULE-6015342828 [0,1,1,0,0,0|1,0,1]=4 1530 B8R0.3 CCOC(=O)[C@@H](C)OC MCULE-9016823576 [0,1,1,0,0,0|1,0,1]=4 1531 B8R0.3 CCOC(=O)[C@@H](N)CC MCULE-3295720196 [0,1,1,0,0,0|0,0,2]=4 1532 B8R0.3 CCOC(=O)[C@@H](N)CC MCULE-3974992068 [0,1,1,0,0,0|0,0,2]=4 1533 B8R0.3 CCOC(=O)[C@@H](N)CC MCULE-6812206052 [0,1,1,0,0,0|0,0,2]=4 1534 B8R0.3 CCOC(=O)[C@@H](N)CC MCULE-7278573962 [0,1,1,0,0,0|0,0,2]=4 1535 B8R0.3 CCOC(=O)[C@@H](O)CC MCULE-5702747043 [0,1,1,0,0,0|0,0,2]=4 1536 B8R0.3 CCOC(=O)[C@@H](O)CC MCULE-6151562245 [0,1,1,0,0,0|0,0,2]=4 1537 B8R0.3 CCOC(=O)[C@H](C)NC MCULE-1179895928 [0,1,1,0,0,0|1,0,1]=4 1538 B8R0.3 CCOC(=O)[C@H](C)NC MCULE-6687011613 [0,1,1,0,0,0|1,0,1]=4 1539 B8R0.3 CCOC(=O)[C@H](N)CC MCULE-6501312525 [0,1,1,0,0,0|0,0,2]=4 1540 B8R0.3 CCOC(=O)[C@H](O)CC MCULE-8200594440 [0,1,1,0,0,0|0,0,2]=4 1541 B8R0.30 C=CCC(C)(C)CC=O MCULE-7716755680 [0,1,1,0,0,0|1,0,0]=3 1542 B8R0.30 C=CCC(C)(N)CC=C MCULE-1291581560 [0,1,1,0,0,0|2,0,0]=4 1543 B8R0.30 C=CCC(C)(N)CC=C MCULE-9292207479 [0,1,1,0,0,0|2,0,0]=4 1544 B8R0.30 C=CCC(C)(O)CC=C MCULE-3347047294 [0,1,1,0,0,0|2,0,0]=4 1545 B8R1.2 CCC1=CCCC=C1 MCULE-7185315314 [1,1,0,0,0,0|2,0,0]=4 1546 B8R1.2 CCN1C=CC=CC1 MCULE-9364000935 [1,1,0,0,0,0|2,0,0]=4 1547 B8R1.2 COC1CCC=CO1 MCULE-2948054141 [1,1,0,0,0,0|0,0,1]=3 1548 B8R1.2 N#CC1=CCCCO1 MCULE-5646992777 [1,1,0,0,0,0|1,0,1]=4 1549 B8R1.2 N#CC1=COCCO1 MCULE-5964511526 [1,1,0,0,0,0|2,0,0]=4 1550 B8R1.2 NCC1CC=CCC1 MCULE-9374023591 [1,1,0,0,0,0|1,0,1]=4 1551 B8R1.2 NCC1CCC=CO1 MCULE-9848121283 [1,1,0,0,0,0|0,0,1]=3 1552 B8R1.2 O=CC1=CCCCC1 MCULE-6209420256 [1,1,0,0,0,0|1,0,1]=4 1553 B8R1.2 O=CC1=COCCC1 MCULE-5246467858 [1,1,0,0,0,0|2,0,0]=4 1554 B8R1.2 O=CC1=COCCO1 MCULE-4502742368 [1,1,0,0,0,0|1,0,0]=3 1555 B8R1.2 O=CC1C=CCCC1 MCULE-7360804121 [1,1,0,0,0,0|1,0,1]=4 1556 B8R1.2 O=CC1CCC=CO1 MCULE-1271711654 [1,1,0,0,0,0|0,0,2]=4 1557 B8R1.2 O=C[C@@H]1CCC=CO1 MCULE-1864295712 [1,1,0,0,0,0|0,0,2]=4 1558 B8R1.2 OCC1=CCCCO1 MCULE-1995059172 [1,1,0,0,0,0|0,0,2]=4 1559 B8R1.2 OCC1CC=CCC1 MCULE-7843809650 [1,1,0,0,0,0|1,0,1]=4 1560 B8R1.2 OCC1CC=CCO1 MCULE-1009946564 [1,1,0,0,0,0|0,0,1]=3 1561 B8R1.2 OCC1CCC=CO1 MCULE-7646685626 [1,1,0,0,0,0|0,0,1]=3 1562 B8R1.2 OC[C@H]1CCC=CO1 MCULE-3753346509 [1,1,0,0,0,0|0,0,1]=3 1563 B8R1.3 CC1C=CC(=O)CC1 MCULE-6972928704 [1,1,0,0,0,0|1,0,0]=3 1564 B8R1.3 CC1CC=C(CC1)Cl MCULE-9255462781 [1,1,0,0,0,0|1,0,1]=4 1565 B8R1.3 CC1CCC(=O)CO1 MCULE-8334906567 [1,1,0,0,0,0|0,0,2]=4 1566 B8R1.3 CC1CNC(=O)CO1 MCULE-6817757578 [1,1,0,0,0,0|1,0,1]=4 1567 B8R1.3 CC1COC(=O)OC1 MCULE-6795228051 [1,1,0,0,0,0|1,0,1]=4 1568 B8R1.3 C[C@@H]1CNC(=O)CO1 MCULE-7192421297 [1,1,0,0,0,0|1,0,1]=4 1569 B8R1.3 C[C@@H]1CNC(=O)CO1 MCULE-7394512903 [1,1,0,0,0,0|1,0,1]=4 1570 B8R1.3 C[C@H]1CNC(=O)CO1 MCULE-6169535590 [1,1,0,0,0,0|1,0,1]=4 1571 B8R1.3 C[C@H]1CNC(=O)CO1 MCULE-8876635175 [1,1,0,0,0,0|1,0,1]=4 1572 B8R1.3 O=C1C=CC(=CO1)Br MCULE-6339514817 [1,1,0,0,0,0|0,0,2]=4 1573 B8R1.3 O=C1C=CC(OC1)O MCULE-1206409270 [1,1,0,0,0,0|2,0,0]=4 1574 B8R1.3 O=C1CCC(CO1)O MCULE-6372408261 [1,1,0,0,0,0|0,0,2]=4 1575 B8R1.5 C=C1CCCNC1=O MCULE-1867993758 [1,1,0,0,0,0|1,0,1]=4 1576 B8R1.5 CC1=CCCCC1=O MCULE-6245248136 [1,1,0,0,0,0|1,0,0]=3 1577 B8R1.5 CC1CC=CCC1C MCULE-9305523958 [1,1,0,0,0,0|1,0,1]=4 1578 B8R1.5 CC1CCCOC1=O MCULE-5926029136 [1,1,0,0,0,0|0,0,2]=4 1579 B8R1.5 NN1CCCOC1=O MCULE-6942418314 [1,1,0,0,0,0|1,0,1]=4 1580 B8R1.5 O=C1CCCC=C1Br MCULE-3661382076 [1,1,0,0,0,0|1,0,0]=3 1581 B8R1.5 O=C1CCCC=C1I MCULE-5006563152 [1,1,0,0,0,0|1,0,0]=3 1582 B8R1.5 O=C1CCCCC1=O MCULE-5770827130 [1,1,0,0,0,0|1,0,1]=4 1583 B8R1.5 O=C1CCCNC1=O MCULE-3369124759 [1,1,0,0,0,0|1,0,1]=4 1584 B8R1.5 O=C1NCCC=C1Br MCULE-7421402456 [1,1,0,0,0,0|1,0,0]=3 1585 B8R1.5 O=C1NCCC=C1Cl MCULE-9026882449 [1,1,0,0,0,0|1,0,0]=3 1586 B8R1.5 O=C1NCCNC1=O MCULE-5492631108 [1,1,0,0,0,0|2,0,0]=4 1587 B8R1.5 O=C1NCCOC1=O MCULE-5092732656 [1,1,0,0,0,0|1,0,0]=3 1588 B8R1.5 O=C1OC=CC=C1Br MCULE-5287176026 [1,1,0,0,0,0|0,0,2]=4 1589 B8R1.5 O=C1OC=CC=C1O MCULE-9890470217 [1,1,0,0,0,0|0,0,2]=4 1590 B8R1.5 O=C1OCCC=C1Br MCULE-6619697801 [1,1,0,0,0,0|0,0,0]=2 1591 B8R1.5 O=C1OCCCC1Br MCULE-4407787541 [1,1,0,0,0,0|0,0,2]=4 1592 B8R1.5 O=C1OCCCC1O MCULE-3021418071 [1,1,0,0,0,0|0,0,2]=4 1593 B8R1.72 CC1(CC=CCC1)N MCULE-5975225665 [1,1,0,0,0,0|1,0,1]=4 1594 B8R1.72 CC1(CC=CCC1)N MCULE-9925004500 [1,1,0,0,0,0|1,0,1]=4 1595 B8R1.72 O=S1(=O)C=CCCC1 MCULE-1954116946 [1,1,0,0,0,0|2,0,0]=4 1596 B8R1.1 BrCC1=CC=C(O1)Br MCULE-1166921731 [0,1,0,0,1,0|1,0,1]=4 1597 B8R1.1 C#CC1=CC=C(O1)C MCULE-6522934730 [0,1,0,0,1,0|1,0,1]=4 1598 B8R1.1 C1(CCC(=O)N1)CBr MCULE-4451864575 [0,1,0,0,1,0|1,0,1]=4 1599 B8R1.1 C1(CCC(=O)N1)CN MCULE-3169700074 [0,1,0,0,1,0|1,0,1]=4 1600 B8R1.1 C1(CCC(=O)N1)CO MCULE-8513534447 [0,1,0,0,1,0|1,0,1]=4 1601 B8R1.1 C1(CNC(=O)C1)CN MCULE-6663370335 [0,1,0,0,1,0|2,0,0]=4 1602 B8R1.1 C1(CNC(=O)C1)CN MCULE-8237162259 [0,1,0,0,1,0|2,0,0]=4 1603 B8R1.1 C1(CNC(=O)O1)CO MCULE-2451079587 [0,1,0,0,1,0|1,0,0]=3 1604 B8R1.1 C=CC1COC(=O)O1 MCULE-3470962220 [0,1,0,0,1,0|1,0,1]=4 1605 B8R1.1 CC1=CC=C(N1)C=O MCULE-5354578462 [0,1,0,0,1,0|1,0,1]=4 1606 B8R1.1 CC1=CC=C(O1)C#N MCULE-5370154607 [0,1,0,0,1,0|1,0,1]=4 1607 B8R1.1 CC1=CC=C(O1)C=O MCULE-8936450429 [0,1,0,0,1,0|0,0,1]=3 1608 B8R1.1 CC1=CC=C(O1)CN MCULE-4910323936 [0,1,0,0,1,0|1,0,1]=4 1609 B8R1.1 CC1=CC=C(O1)CO MCULE-6432692687 [0,1,0,0,1,0|0,0,2]=4 1610 B8R1.1 CC1=CC=C(O1)CS MCULE-1214637321 [0,1,0,0,1,0|0,1,1]=4 1611 B8R1.1 CC1=CC=C(S1)C=O MCULE-5958342819 [0,1,0,0,1,0|0,1,1]=4 1612 B8R1.1 CC1=CN=C(O1)C=O MCULE-7319634106 [0,1,0,0,1,0|1,0,1]=4 1613 B8R1.1 CC1=NC=C(O1)C=O MCULE-1917920554 [0,1,0,0,1,0|1,0,1]=4 1614 B8R1.1 CCC1=CC=C(O1)C MCULE-5132828893 [0,1,0,0,1,0|1,0,1]=4 1615 B8R1.1 CCC1C=CC(=O)O1 MCULE-8058927851 [0,1,0,0,1,0|0,0,0]=2 1616 B8R1.1 CCC1CCC(=O)C1 MCULE-8455504217 [0,1,0,0,1,0|1,0,1]=4 1617 B8R1.1 CCC1CCC(=O)N1 MCULE-6150249637 [0,1,0,0,1,0|1,0,1]=4 1618 B8R1.1 CCC1CCC(=O)O1 MCULE-5161861312 [0,1,0,0,1,0|0,0,1]=3 1619 B8R1.1 CCC1CNC(=O)C1 MCULE-1800672545 [0,1,0,0,1,0|2,0,0]=4 1620 B8R1.1 CCC1CNC(=O)O1 MCULE-9388725409 [0,1,0,0,1,0|1,0,0]=3 1621 B8R1.1 CCC1COC(=O)C1 MCULE-1996435734 [0,1,0,0,1,0|2,0,0]=4 1622 B8R1.1 CCC1COC(=O)N1 MCULE-4345668230 [0,1,0,0,1,0|2,0,0]=4 1623 B8R1.1 CCC1COC(=O)O1 MCULE-5743084846 [0,1,0,0,1,0|1,0,0]=3 1624 B8R1.1 CC[C@@H]1CCC(=O)C1 MCULE-7687801028 [0,1,0,0,1,0|1,0,1]=4 1625 B8R1.1 CC[C@@H]1CCC(=O)O1 MCULE-9831904901 [0,1,0,0,1,0|0,0,1]=3 1626 B8R1.1 CC[C@H]1CCC(=O)C1 MCULE-6479003670 [0,1,0,0,1,0|1,0,1]=4 1627 B8R1.1 CC[C@H]1COC(=O)N1 MCULE-2443615902 [0,1,0,0,1,0|2,0,0]=4 1628 B8R1.1 CC[C@H]1COC(=O)N1 MCULE-9191549724 [0,1,0,0,1,0|2,0,0]=4 1629 B8R1.1 CN1C=CC(=C1)C=O MCULE-3196849957 [0,1,0,0,1,0|2,0,0]=4 1630 B8R1.1 CN1C=CC(=N1)C=O MCULE-9758898516 [0,1,0,0,1,0|2,0,0]=4 1631 B8R1.1 CNC1CNC(=O)C1 MCULE-1673491824 [0,1,0,0,1,0|2,0,0]=4 1632 B8R1.1 CN[C@H]1CNC(=O)C1 MCULE-7859463391 [0,1,0,0,1,0|2,0,0]=4 1633 B8R1.1 COC1C=CC(=O)C1 MCULE-3904672515 [0,1,0,0,1,0|1,0,0]=3 1634 B8R1.1 COC1CCC(=O)C1 MCULE-3259977239 [0,1,0,0,1,0|1,0,1]=4 1635 B8R1.1 COC1CCC(=O)N1 MCULE-9661875090 [0,1,0,0,1,0|1,0,1]=4 1636 B8R1.1 COC1CNC(=O)C1 MCULE-2023546447 [0,1,0,0,1,0|2,0,0]=4 1637 B8R1.1 CSC1=CC=C(O1)C MCULE-9492880629 [0,1,0,0,1,0|0,1,1]=4 1638 B8R1.1 N#CC1COC(=O)O1 MCULE-7635108167 [0,1,0,0,1,0|1,0,1]=4 1639 B8R1.1 NC1=NCC(O1)CBr MCULE-8408311546 [0,1,0,0,1,0|2,0,0]=4 1640 B8R1.1 NC1=NCC(O1)CBr MCULE-9513559204 [0,1,0,0,1,0|2,0,0]=4 1641 B8R1.1 NCC1=CC=C(O1)Br MCULE-2668133450 [0,1,0,0,1,0|1,0,1]=4 1642 B8R1.1 NCC1=CC=C(O1)Br MCULE-8433134171 [0,1,0,0,1,0|1,0,1]=4 1643 B8R1.1 NCC1=CC=C(O1)Cl MCULE-9752823854 [0,1,0,0,1,0|1,0,1]=4 1644 B8R1.1 NCC1CCC(=O)N1 MCULE-2195138544 [0,1,0,0,1,0|1,0,1]=4 1645 B8R1.1 NCC1CCC(=O)N1 MCULE-5064964559 [0,1,0,0,1,0|1,0,1]=4 1646 B8R1.1 NCC1CCC(=O)N1 MCULE-9686422256 [0,1,0,0,1,0|1,0,1]=4 1647 B8R1.1 NCC1CCC(=O)N1 MCULE-9973113927 [0,1,0,0,1,0|1,0,1]=4 1648 B8R1.1 NCC1CCC(=O)O1 MCULE-5413792723 [0,1,0,0,1,0|0,0,1]=3 1649 B8R1.1 NCC1CCC(=O)O1 MCULE-8312895206 [0,1,0,0,1,0|0,0,1]=3 1650 B8R1.1 NCC1CNC(=O)C1 MCULE-2522987651 [0,1,0,0,1,0|2,0,0]=4 1651 B8R1.1 NCC1CNC(=O)C1 MCULE-7249550892 [0,1,0,0,1,0|2,0,0]=4 1652 B8R1.1 NCC1CNC(=O)C1 MCULE-7253893960 [0,1,0,0,1,0|2,0,0]=4 1653 B8R1.1 NCC1CNC(=O)O1 MCULE-3940030823 [0,1,0,0,1,0|1,0,0]=3 1654 B8R1.1 NCC1CNC(=O)O1 MCULE-7671055394 [0,1,0,0,1,0|1,0,0]=3 1655 B8R1.1 NCC1COC(=O)N1 MCULE-8454292565 [0,1,0,0,1,0|2,0,0]=4 1656 B8R1.1 NCC1COC(=O)N1 MCULE-9068275563 [0,1,0,0,1,0|2,0,0]=4 1657 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-5772277021 [0,1,0,0,1,0|1,0,1]=4 1658 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-6147061481 [0,1,0,0,1,0|1,0,1]=4 1659 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-7644508115 [0,1,0,0,1,0|1,0,1]=4 1660 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-7782108755 [0,1,0,0,1,0|1,0,1]=4 1661 B8R1.1 NC[C@@H]1CNC(=O)C1 MCULE-1184474214 [0,1,0,0,1,0|2,0,0]=4 1662 B8R1.1 NC[C@@H]1CNC(=O)C1 MCULE-2421452869 [0,1,0,0,1,0|2,0,0]=4 1663 B8R1.1 NC[C@@H]1CNC(=O)C1 MCULE-3903743084 [0,1,0,0,1,0|2,0,0]=4 1664 B8R1.1 NC[C@@H]1CNC(=O)C1 MCULE-9080425518 [0,1,0,0,1,0|2,0,0]=4 1665 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-1463241001 [0,1,0,0,1,0|1,0,0]=3 1666 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-3217887113 [0,1,0,0,1,0|1,0,0]=3 1667 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-5423398321 [0,1,0,0,1,0|1,0,0]=3 1668 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-9322185538 [0,1,0,0,1,0|1,0,0]=3 1669 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-1485902199 [0,1,0,0,1,0|1,0,1]=4 1670 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-1751255260 [0,1,0,0,1,0|1,0,1]=4 1671 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-3641870628 [0,1,0,0,1,0|1,0,1]=4 1672 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-9839264859 [0,1,0,0,1,0|1,0,1]=4 1673 B8R1.1 NC[C@H]1CNC(=O)C1 MCULE-7212975165 [0,1,0,0,1,0|2,0,0]=4 1674 B8R1.1 NC[C@H]1CNC(=O)C1 MCULE-8203034485 [0,1,0,0,1,0|2,0,0]=4 1675 B8R1.1 NC[C@H]1CNC(=O)C1 MCULE-8803246698 [0,1,0,0,1,0|2,0,0]=4 1676 B8R1.1 NC[C@H]1CNC(=O)C1 MCULE-9580224880 [0,1,0,0,1,0|2,0,0]=4 1677 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-1224919034 [0,1,0,0,1,0|1,0,0]=3 1678 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-6003746665 [0,1,0,0,1,0|1,0,0]=3 1679 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-6937146715 [0,1,0,0,1,0|1,0,0]=3 1680 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-9419881517 [0,1,0,0,1,0|1,0,0]=3 1681 B8R1.1 NC[C@H]1COC(=O)N1 MCULE-1988909942 [0,1,0,0,1,0|2,0,0]=4 1682 B8R1.1 NC[C@H]1COC(=O)N1 MCULE-9340310155 [0,1,0,0,1,0|2,0,0]=4 1683 B8R1.1 O=C1C=CC(O1)CBr MCULE-5454606396 [0,1,0,0,1,0|0,0,0]=2 1684 B8R1.1 O=C1C=CC(O1)CO MCULE-4249850069 [0,1,0,0,1,0|0,0,0]=2 1685 B8R1.1 O=C1C=C[C@H](O1)CO MCULE-3027706549 [0,1,0,0,1,0|0,0,0]=2 1686 B8R1.1 O=C1C=C[C@H](O1)CO MCULE-5764400462 [0,1,0,0,1,0|0,0,0]=2 1687 B8R1.1 O=C1CC(CN1)CBr MCULE-1780879209 [0,1,0,0,1,0|2,0,0]=4 1688 B8R1.1 O=C1CC(CN1)CO MCULE-8619053563 [0,1,0,0,1,0|2,0,0]=4 1689 B8R1.1 O=C1CC(CO1)CO MCULE-7403068263 [0,1,0,0,1,0|2,0,0]=4 1690 B8R1.1 O=C1CCC(C1)CF MCULE-9077358027 [0,1,0,0,1,0|1,0,1]=4 1691 B8R1.1 O=C1CCC(C1)CO MCULE-7524267942 [0,1,0,0,1,0|1,0,1]=4 1692 B8R1.1 O=C1CCC(N1)CBr MCULE-7024022934 [0,1,0,0,1,0|1,0,1]=4 1693 B8R1.1 O=C1CCC(N1)CI MCULE-6956070937 [0,1,0,0,1,0|1,0,1]=4 1694 B8R1.1 O=C1CCC(N1)CO MCULE-1498000761 [0,1,0,0,1,0|1,0,1]=4 1695 B8R1.1 O=C1CCC(O1)CBr MCULE-9370722806 [0,1,0,0,1,0|0,0,1]=3 1696 B8R1.1 O=C1CCC(O1)CCl MCULE-3199749385 [0,1,0,0,1,0|0,0,1]=3 1697 B8R1.1 O=C1CCC(O1)CI MCULE-4432096360 [0,1,0,0,1,0|0,0,1]=3 1698 B8R1.1 O=C1CCC(O1)CO MCULE-3178999726 [0,1,0,0,1,0|0,0,1]=3 1699 B8R1.1 O=C1CCC(O1)CO MCULE-4390773734 [0,1,0,0,1,0|0,0,1]=3 1700 B8R1.1 O=C1CC[C@@H](C1)CO MCULE-2590805877 [0,1,0,0,1,0|1,0,1]=4 1701 B8R1.1 O=C1CC[C@@H](C1)CO MCULE-7134607780 [0,1,0,0,1,0|1,0,1]=4 1702 B8R1.1 O=C1CC[C@@H](N1)CBr MCULE-4537645558 [0,1,0,0,1,0|1,0,1]=4 1703 B8R1.1 O=C1CC[C@@H](N1)CBr MCULE-6830001458 [0,1,0,0,1,0|1,0,1]=4 1704 B8R1.1 O=C1CC[C@@H](N1)CO MCULE-3021506643 [0,1,0,0,1,0|1,0,1]=4 1705 B8R1.1 O=C1CC[C@@H](N1)CO MCULE-3659077476 [0,1,0,0,1,0|1,0,1]=4 1706 B8R1.1 O=C1CC[C@@H](O1)CO MCULE-1532290348 [0,1,0,0,1,0|0,0,1]=3 1707 B8R1.1 O=C1CC[C@@H](O1)CO MCULE-3600746831 [0,1,0,0,1,0|0,0,1]=3 1708 B8R1.1 O=C1CC[C@H](N1)CBr MCULE-1684731751 [0,1,0,0,1,0|1,0,1]=4 1709 B8R1.1 O=C1CC[C@H](N1)CBr MCULE-4479348379 [0,1,0,0,1,0|1,0,1]=4 1710 B8R1.1 O=C1CC[C@H](N1)CO MCULE-4532009930 [0,1,0,0,1,0|1,0,1]=4 1711 B8R1.1 O=C1CC[C@H](N1)CO MCULE-6466848372 [0,1,0,0,1,0|1,0,1]=4 1712 B8R1.1 O=C1CC[C@H](O1)CO MCULE-1675076625 [0,1,0,0,1,0|0,0,1]=3 1713 B8R1.1 O=C1CC[C@H](O1)CO MCULE-6265569115 [0,1,0,0,1,0|0,0,1]=3 1714 B8R1.1 O=C1C[C@@H](CN1)CO MCULE-5572559100 [0,1,0,0,1,0|2,0,0]=4 1715 B8R1.1 O=C1C[C@H](CN1)CO MCULE-4450345453 [0,1,0,0,1,0|2,0,0]=4 1716 B8R1.1 O=C1NC(CO1)CI MCULE-3725463438 [0,1,0,0,1,0|2,0,0]=4 1717 B8R1.1 O=C1NC(CO1)CI MCULE-8271591026 [0,1,0,0,1,0|2,0,0]=4 1718 B8R1.1 O=C1NC(CO1)CO MCULE-8296379772 [0,1,0,0,1,0|2,0,0]=4 1719 B8R1.1 O=C1NC(CO1)CO MCULE-9797812862 [0,1,0,0,1,0|2,0,0]=4 1720 B8R1.1 O=C1NCC(O1)CBr MCULE-3294572412 [0,1,0,0,1,0|1,0,0]=3 1721 B8R1.1 O=C1NCC(O1)CCl MCULE-6711754093 [0,1,0,0,1,0|1,0,0]=3 1722 B8R1.1 O=C1NCC(O1)CCl MCULE-6847066968 [0,1,0,0,1,0|1,0,0]=3 1723 B8R1.1 O=C1NCC(O1)CO MCULE-8225938772 [0,1,0,0,1,0|1,0,0]=3 1724 B8R1.1 O=C1NCC(S1)CBr MCULE-9963419555 [0,1,0,0,1,0|1,1,0]=4 1725 B8R1.1 O=C1NC[C@@H](O1)CCl MCULE-4606501061 [0,1,0,0,1,0|1,0,0]=3 1726 B8R1.1 O=C1NC[C@@H](O1)CO MCULE-4749906822 [0,1,0,0,1,0|1,0,0]=3 1727 B8R1.1 O=C1NC[C@@H](O1)CO MCULE-7879354917 [0,1,0,0,1,0|1,0,0]=3 1728 B8R1.1 O=C1NC[C@H](O1)CCl MCULE-1912687608 [0,1,0,0,1,0|1,0,0]=3 1729 B8R1.1 O=C1NC[C@H](O1)CO MCULE-2698871687 [0,1,0,0,1,0|1,0,0]=3 1730 B8R1.1 O=C1NC[C@H](O1)CO MCULE-5771560221 [0,1,0,0,1,0|1,0,0]=3 1731 B8R1.1 O=C1N[C@@H](CO1)CO MCULE-2270288938 [0,1,0,0,1,0|2,0,0]=4 1732 B8R1.1 O=C1N[C@@H](CO1)CO MCULE-5533745846 [0,1,0,0,1,0|2,0,0]=4 1733 B8R1.1 O=C1N[C@H](CO1)CI MCULE-5817468950 [0,1,0,0,1,0|2,0,0]=4 1734 B8R1.1 O=C1N[C@H](CO1)CI MCULE-6940377154 [0,1,0,0,1,0|2,0,0]=4 1735 B8R1.1 O=C1N[C@H](CO1)CO MCULE-3186572246 [0,1,0,0,1,0|2,0,0]=4 1736 B8R1.1 O=C1N[C@H](CO1)CO MCULE-4534112642 [0,1,0,0,1,0|2,0,0]=4 1737 B8R1.1 O=C1OCC(O1)CCl MCULE-7212643481 [0,1,0,0,1,0|1,0,0]=3 1738 B8R1.1 O=C1OCC(O1)CF MCULE-2066386250 [0,1,0,0,1,0|1,0,0]=3 1739 B8R1.1 O=C1OCC(O1)CO MCULE-1831262013 [0,1,0,0,1,0|1,0,0]=3 1740 B8R1.1 O=CC1=CC=C(O1)Br MCULE-1207870014 [0,1,0,0,1,0|1,0,1]=4 1741 B8R1.1 O=CC1=CC=C(O1)Cl MCULE-2826542626 [0,1,0,0,1,0|1,0,1]=4 1742 B8R1.1 O=CC1=CC=C(O1)I MCULE-7150258096 [0,1,0,0,1,0|1,0,1]=4 1743 B8R1.1 OCC1=CC=C(O1)Br MCULE-1647425150 [0,1,0,0,1,0|1,0,1]=4 1744 B8R1.1 OCC1=CC=C(O1)Cl MCULE-4281362938 [0,1,0,0,1,0|1,0,1]=4 1745 B8R1.1 OCC1=CC=C(O1)I MCULE-5515138864 [0,1,0,0,1,0|1,0,1]=4 1746 B8R1.1 SCC1=CC=C(O1)Cl MCULE-6441600324 [0,1,0,0,1,0|1,0,1]=4 1747 B8R1.1 [C@H]1(CNC(=O)O1)CCl MCULE-6032247892 [0,1,0,0,1,0|1,0,0]=3 1748 B8R1.18 C=C1CC(=O)OC1=O MCULE-1819893564 [0,1,0,0,1,0|1,0,1]=4 1749 B8R1.18 C=C1CC(OC1=O)C MCULE-4610228867 [0,1,0,0,1,0|0,0,0]=2 1750 B8R1.18 CC1=C(OC(=O)N1)C MCULE-9563427028 [0,1,0,0,1,0|1,0,1]=4 1751 B8R1.18 CC1=C(OC(=O)O1)C MCULE-2205012091 [0,1,0,0,1,0|1,0,1]=4 1752 B8R1.18 CC1=CC(=C(O1)C)C MCULE-4079062433 [0,1,0,0,1,0|1,0,1]=4 1753 B8R1.18 CC1=CC(=C(O1)C)N MCULE-1778849195 [0,1,0,0,1,0|1,0,1]=4 1754 B8R1.18 CC1=CC(=C(O1)C)S MCULE-9143219265 [0,1,0,0,1,0|1,0,1]=4 1755 B8R1.18 CC1=CC(=O)C(O1)C MCULE-7165152063 [0,1,0,0,1,0|1,0,0]=3 1756 B8R1.18 CC1=CC(=O)CC1C MCULE-9587444246 [0,1,0,0,1,0|1,0,0]=3 1757 B8R1.18 CC1=CC(=O)NN1C MCULE-4105771613 [0,1,0,0,1,0|2,0,0]=4 1758 B8R1.18 CC1=CC(=O)NN1C MCULE-5102421138 [0,1,0,0,1,0|2,0,0]=4 1759 B8R1.18 CC1=CC(=O)OC1=O MCULE-1735822163 [0,1,0,0,1,0|1,0,1]=4 1760 B8R1.18 CC1=CC(=O)OC1O MCULE-2111708862 [0,1,0,0,1,0|1,0,0]=3 1761 B8R1.18 CC1=CC(=O)O[C@@H]1O MCULE-3894053073 [0,1,0,0,1,0|1,0,0]=3 1762 B8R1.18 CC1=CC(CC1=O)O MCULE-6348285774 [0,1,0,0,1,0|2,0,0]=4 1763 B8R1.18 CC1=CC(OC1=O)Br MCULE-3845731354 [0,1,0,0,1,0|1,0,0]=3 1764 B8R1.18 CC1=CC(OC1=O)Cl MCULE-5657964064 [0,1,0,0,1,0|1,0,0]=3 1765 B8R1.18 CC1=CC(OC1=O)O MCULE-9085952542 [0,1,0,0,1,0|1,0,0]=3 1766 B8R1.18 CC1=C[C@H](NC1=O)O MCULE-7726239614 [0,1,0,0,1,0|2,0,0]=4 1767 B8R1.18 CC1CC(=O)C(O1)C MCULE-9648127298 [0,1,0,0,1,0|1,0,1]=4 1768 B8R1.18 CC1CC(=O)N(C1)C MCULE-2164356802 [0,1,0,0,1,0|2,0,0]=4 1769 B8R1.18 CC1CC(=O)NC1=O MCULE-2962850802 [0,1,0,0,1,0|2,0,0]=4 1770 B8R1.18 CC1CC(=O)OC1=O MCULE-6043315810 [0,1,0,0,1,0|2,0,0]=4 1771 B8R1.18 CC1CC(=O)OC1C MCULE-3906254123 [0,1,0,0,1,0|0,0,1]=3 1772 B8R1.18 CC1CC(=O)OC1O MCULE-7140241012 [0,1,0,0,1,0|1,0,1]=4 1773 B8R1.18 CC1CC(C(=O)O1)Br MCULE-3628819780 [0,1,0,0,1,0|0,0,1]=3 1774 B8R1.18 CC1CC(C(=O)O1)N MCULE-4414809681 [0,1,0,0,1,0|0,0,1]=3 1775 B8R1.18 CC1CC(C(=O)O1)N MCULE-7247771680 [0,1,0,0,1,0|0,0,1]=3 1776 B8R1.18 CC1NC(=O)CC1=O MCULE-3973500509 [0,1,0,0,1,0|1,0,1]=4 1777 B8R1.18 CC1NC(=O)CC1O MCULE-6370955032 [0,1,0,0,1,0|1,0,1]=4 1778 B8R1.18 CC1NC(=O)NC1=O MCULE-4619149186 [0,1,0,0,1,0|2,0,0]=4 1779 B8R1.18 CC1NC(=O)OC1=O MCULE-5437194910 [0,1,0,0,1,0|2,0,0]=4 1780 B8R1.18 CC1NC(=O)OC1=O MCULE-6711218397 [0,1,0,0,1,0|2,0,0]=4 1781 B8R1.18 CC1NC(=O)OC1C MCULE-5204749893 [0,1,0,0,1,0|1,0,0]=3 1782 B8R1.18 CC1OC(=O)C=C1O MCULE-1494473960 [0,1,0,0,1,0|0,0,0]=2 1783 B8R1.18 CC1OC(=O)NC1=O MCULE-8191598152 [0,1,0,0,1,0|1,0,0]=3 1784 B8R1.18 CC1OC(=O)OC1C MCULE-1302025126 [0,1,0,0,1,0|1,0,0]=3 1785 B8R1.18 CC1OS(=O)OC1C MCULE-8578188591 [0,1,0,0,1,0|2,0,0]=4 1786 B8R1.18 CC1SC(=O)NC1=O MCULE-9249450232 [0,1,0,0,1,0|1,1,0]=4 1787 B8R1.18 CN1NC(=O)C=C1N MCULE-9124998543 [0,1,0,0,1,0|2,0,0]=4 1788 B8R1.18 CN1OC(=CC1=O)N MCULE-9415679355 [0,1,0,0,1,0|2,0,0]=4 1789 B8R1.18 CN1OC(=O)C=C1N MCULE-3196224067 [0,1,0,0,1,0|1,0,0]=3 1790 B8R1.18 C[C@@H]1CC(=O)NC1=O MCULE-9043552998 [0,1,0,0,1,0|2,0,0]=4 1791 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O MCULE-5647492108 [0,1,0,0,1,0|1,0,1]=4 1792 B8R1.18 C[C@@H]1NC(=O)NC1=O MCULE-1126054848 [0,1,0,0,1,0|2,0,0]=4 1793 B8R1.18 C[C@@H]1NC(=O)OC1=O MCULE-3338806314 [0,1,0,0,1,0|2,0,0]=4 1794 B8R1.18 C[C@@H]1NC(=O)OC1=O MCULE-9892061668 [0,1,0,0,1,0|2,0,0]=4 1795 B8R1.18 C[C@H]1CC(=O)OC1=O MCULE-7764909201 [0,1,0,0,1,0|2,0,0]=4 1796 B8R1.18 C[C@H]1CC(=O)O[C@H]1C MCULE-7756599719 [0,1,0,0,1,0|0,0,1]=3 1797 B8R1.18 C[C@H]1NC(=O)NC1=O MCULE-5443325319 [0,1,0,0,1,0|2,0,0]=4 1798 B8R1.18 C[C@H]1NC(=O)OC1=O MCULE-2658468572 [0,1,0,0,1,0|2,0,0]=4 1799 B8R1.18 C[C@H]1NC(=O)OC1=O MCULE-9205776561 [0,1,0,0,1,0|2,0,0]=4 1800 B8R1.18 O=C1C=C(C(=O)O1)Br MCULE-2984870530 [0,1,0,0,1,0|1,0,1]=4 1801 B8R1.18 O=C1C=C(C(N1)O)Br MCULE-4783191833 [0,1,0,0,1,0|2,0,0]=4 1802 B8R1.18 O=C1C=C(C(O1)O)Cl MCULE-9764142144 [0,1,0,0,1,0|1,0,0]=3 1803 B8R1.18 O=C1OC(C(O1)Cl)Cl MCULE-2346794223 [0,1,0,0,1,0|2,0,0]=4 1804 B8R1.18 O=C1O[C@@H]([C@H](O1)F)F MCULE-7614704509 [0,1,0,0,1,0|2,0,0]=4 1805 B8R1.50 CC1CCC(=O)C1=O MCULE-7649396652 [0,1,0,0,1,0|1,0,1]=4 1806 B8R1.50 CC1CCC(=O)N1C MCULE-7405072604 [0,1,0,0,1,0|1,0,1]=4 1807 B8R1.50 CC1CNC(=O)C1C MCULE-7439537346 [0,1,0,0,1,0|2,0,0]=4 1808 B8R1.51 CC1(C=CC(=O)C1)C MCULE-2691948275 [0,1,0,0,1,0|1,0,0]=3 1809 B8R1.51 CC1(CCC(=O)C1)C MCULE-9814375082 [0,1,0,0,1,0|1,0,1]=4 1810 B8R1.51 CC1(CCC(=O)N1)C MCULE-2538104334 [0,1,0,0,1,0|1,0,1]=4 1811 B8R1.51 CC1(CCC(=O)O1)C MCULE-3069658569 [0,1,0,0,1,0|0,0,1]=3 1812 B8R1.51 CC1(CN=C(O1)N)C MCULE-6517199560 [0,1,0,0,1,0|2,0,0]=4 1813 B8R1.51 CC1(CNC(=O)C1)C MCULE-1184902754 [0,1,0,0,1,0|2,0,0]=4 1814 B8R1.51 CC1(CNC(=O)C1)O MCULE-3317128471 [0,1,0,0,1,0|2,0,0]=4 1815 B8R1.51 CC1(CNC(=O)N1)C MCULE-2885809296 [0,1,0,0,1,0|2,0,0]=4 1816 B8R1.51 CC1(CNC(=O)O1)C MCULE-9188826896 [0,1,0,0,1,0|1,0,0]=3 1817 B8R1.51 CC1(COC(=O)C1)C MCULE-2810911497 [0,1,0,0,1,0|2,0,0]=4 1818 B8R1.51 CC1(COC(=O)N1)C MCULE-9709457440 [0,1,0,0,1,0|2,0,0]=4 1819 B8R1.51 CC1(OCC(=O)O1)C MCULE-5121540413 [0,1,0,0,1,0|1,0,1]=4 1820 B8R1.51 CC1CCS(=O)(=O)O1 MCULE-3194494728 [0,1,0,0,1,0|1,0,1]=4 1821 B8R1.51 CC1COS(=O)(=O)O1 MCULE-1582385826 [0,1,0,0,1,0|2,0,0]=4 1822 B8R1.51 CP1(=O)CCC(=O)O1 MCULE-3689691243 [0,1,0,0,1,0|1,0,1]=4 1823 B8R1.51 C[C@@H]1COS(=O)(=O)O1 MCULE-8592617135 [0,1,0,0,1,0|2,0,0]=4 1824 B8R1.51 C[C@@H]1COS(=O)(=O)O1 MCULE-8834088750 [0,1,0,0,1,0|2,0,0]=4 1825 B8R1.51 C[C@H]1COS(=O)(=O)O1 MCULE-3969026002 [0,1,0,0,1,0|2,0,0]=4 1826 B8R1.51 C[C@H]1COS(=O)(=O)O1 MCULE-5192877040 [0,1,0,0,1,0|2,0,0]=4 1827 B8R1.11 CC1=C(C=CO1)C=O MCULE-3756016050 [0,1,0,0,1,0|1,0,1]=4 1828 B8R1.11 CC1=C(C=CS1)C=O MCULE-6448646967 [0,1,0,0,1,0|1,0,1]=4 1829 B8R1.11 CCC1CCCC1=O MCULE-1884299455 [0,1,0,0,1,0|0,0,2]=4 1830 B8R1.11 CCC1CCNC1=O MCULE-8307536027 [0,1,0,0,1,0|1,0,1]=4 1831 B8R1.11 CCC1CCOC1=O MCULE-2375464273 [0,1,0,0,1,0|1,0,1]=4 1832 B8R1.11 CCC1COCC1=O MCULE-5486171882 [0,1,0,0,1,0|1,0,1]=4 1833 B8R1.11 CN1C=CC=C1C=O MCULE-6257317045 [0,1,0,0,1,0|1,0,1]=4 1834 B8R1.11 CN1N=CC=C1C=O MCULE-9719887404 [0,1,0,0,1,0|2,0,0]=4 1835 B8R1.11 CNC1CCNC1=O MCULE-1302732570 [0,1,0,0,1,0|1,0,1]=4 1836 B8R1.11 CNC1CCNC1=O MCULE-7065523709 [0,1,0,0,1,0|1,0,1]=4 1837 B8R1.11 COC1CCCC1=O MCULE-2741778082 [0,1,0,0,1,0|0,0,2]=4 1838 B8R1.11 COC1CCOC1=O MCULE-6321591157 [0,1,0,0,1,0|1,0,1]=4 1839 B8R1.11 COC1COCC1=O MCULE-2097991610 [0,1,0,0,1,0|1,0,1]=4 1840 B8R1.11 NCC1CCCC1=O MCULE-4144323636 [0,1,0,0,1,0|0,0,2]=4 1841 B8R1.11 NCC1CCCC1=O MCULE-8761719757 [0,1,0,0,1,0|0,0,2]=4 1842 B8R1.11 NCC1CCOC1=O MCULE-5843107965 [0,1,0,0,1,0|1,0,1]=4 1843 B8R1.11 NCC1CCOC1=O MCULE-6077637171 [0,1,0,0,1,0|1,0,1]=4 1844 B8R1.11 O=C1CCCC1CO MCULE-9171970685 [0,1,0,0,1,0|0,0,2]=4 1845 B8R1.11 O=C1NCCC1CO MCULE-8442279545 [0,1,0,0,1,0|1,0,1]=4 1846 B8R1.11 O=C1NCC[C@@H]1CO MCULE-5339343040 [0,1,0,0,1,0|1,0,1]=4 1847 B8R1.19 CC1(CC=CC1=O)C MCULE-5478168383 [0,1,0,0,1,0|0,0,0]=2 1848 B8R1.19 CC1(CCC=N1=O)C MCULE-3270262370 [0,1,0,0,1,0|1,0,1]=4 1849 B8R1.19 CC1(CCCC1=O)C MCULE-2010694408 [0,1,0,0,1,0|0,0,2]=4 1850 B8R1.19 CC1(CCCC1=O)F MCULE-5382994089 [0,1,0,0,1,0|0,0,2]=4 1851 B8R1.19 CC1(CCNC1=O)C MCULE-6714447777 [0,1,0,0,1,0|1,0,1]=4 1852 B8R1.19 CC1(CCNC1=O)C MCULE-7206545498 [0,1,0,0,1,0|1,0,1]=4 1853 B8R1.19 CC1(CCNC1=O)N MCULE-2999548291 [0,1,0,0,1,0|1,0,1]=4 1854 B8R1.19 CC1(CCNC1=O)O MCULE-2802989638 [0,1,0,0,1,0|1,0,1]=4 1855 B8R1.19 CC1(CCOC1=O)Br MCULE-3061445898 [0,1,0,0,1,0|1,0,1]=4 1856 B8R1.19 CC1(CCOC1=O)C MCULE-4294599964 [0,1,0,0,1,0|1,0,1]=4 1857 B8R1.19 CC1(CCOC1=O)N MCULE-5332143573 [0,1,0,0,1,0|1,0,1]=4 1858 B8R1.19 CC1(CCOC1=O)N MCULE-6557455932 [0,1,0,0,1,0|1,0,1]=4 1859 B8R1.19 CC1(COCC1=O)C MCULE-8148059071 [0,1,0,0,1,0|1,0,1]=4 1860 B8R1.19 CC1(CONC1=O)C MCULE-5889106208 [0,1,0,0,1,0|2,0,0]=4 1861 B8R1.19 CC1(OC=CC1=O)C MCULE-4109921623 [0,1,0,0,1,0|1,0,0]=3 1862 B10R1.330 CC1CNC(=O)CC(=O)C1 MCULE-4466752945 [0,1,0,0,0,1|1,0,1]=4 1863 B10R1.197 O=C1COC(CCN1)CO MCULE-1957898816 [0,1,0,0,0,1|1,0,1]=4 1864 B10R1.8 CC1=CC(=O)OC(=C1)CCl MCULE-4516724807 [0,2,0,0,0,0|0,0,2]=4 1865 B10R1.8 CCC1=CC(=CC(=O)O1)O MCULE-4474316336 [0,2,0,0,0,0|0,0,2]=4 1866 B10R1.8 CCC1CC(=O)C=C(C1)C MCULE-9551990259 [0,2,0,0,0,0|1,0,0]=3 1867 B10R1.8 CCC1CC(=O)NC(=O)C1 MCULE-5960815996 [0,2,0,0,0,0|2,0,0]=4 1868 B10R1.8 CCN1CC(=O)C=C(C1)C MCULE-3181194332 [0,2,0,0,0,0|2,0,0]=4 1869 B10R1.8 CCN1CC(=O)C=C(C1)C MCULE-9531347405 [0,2,0,0,0,0|2,0,0]=4 1870 B10R1.8 COC1=CC(=O)OC(=C1)C MCULE-9155067913 [0,2,0,0,0,0|0,0,2]=4 1871 B10R1.8 CSC1NC(=O)C=C(N1)N MCULE-9417952446 [0,2,0,0,0,0|2,0,0]=4 1872 B10R1.8 O=C1CC(=O)CC(C1)CO MCULE-2890708656 [0,2,0,0,0,0|1,0,1]=4 1873 B10R1.10 CCCC1CCCC(=O)O1 MCULE-9181432444 [0,2,0,0,0,0|0,0,2]=4 1874 B10R1.10 O=C1CCCC(O1)CCBr MCULE-4728327671 [0,2,0,0,0,0|0,0,2]=4 1875 B10R1.30 CC1CCC(=C(C1)C=O)Cl MCULE-9695913631 [0,2,0,0,0,0|1,0,1]=4 1876 B10R1.30 CSC1=NC(CC=C1C)C MCULE-9720586679 [0,2,0,0,0,0|1,1,0]=4 1877 B10R1.113 O=C1C=CCC(C1)C(=O)O MCULE-3511234259 [0,2,0,0,0,0|1,0,1]=4 1878 B10R1.176 NCC1CNC(=O)C(=O)N1 MCULE-8867930601 [0,2,0,0,0,0|2,0,0]=4 1879 B10R1.22 CC1=C(C(=CC(=O)O1)O)C MCULE-9746388385 [0,2,0,0,0,0|0,0,2]=4 1880 B10R1.22 CC1=CC(=C(C(=O)O1)Br)O MCULE-3089470990 [0,2,0,0,0,0|0,0,2]=4 1881 B10R1.22 CC1=CC(=C(C(=O)O1)C)O MCULE-5746210594 [0,2,0,0,0,0|0,0,2]=4 1882 B10R1.22 CC1=CC(=C(C(=O)O1)N)O MCULE-3942877134 [0,2,0,0,0,0|0,0,2]=4 1883 B10R1.329 CC1(CC(=CC(=O)N1)N)C MCULE-5507056185 [0,2,0,0,0,0|1,0,0]=3 1884 B10R1.329 CC1(CC(=CC(=O)N1)O)C MCULE-4857414161 [0,2,0,0,0,0|1,0,0]=3 1885 B10R1.329 CC1(CC(=O)C=C(C1)Cl)C MCULE-3214614711 [0,2,0,0,0,0|1,0,0]=3 1886 B10R1.329 CC1(CC(=O)C=C(C1)Cl)C MCULE-5004140628 [0,2,0,0,0,0|1,0,0]=3 1887 B10R1.329 CC1(CC(=O)C=C(C1)N)C MCULE-4783504703 [0,2,0,0,0,0|1,0,0]=3 1888 B10R1.329 CC1(CC(=O)CC(=O)C1)C MCULE-7089250511 [0,2,0,0,0,0|1,0,1]=4 1889 B10R1.329 CC1(CC(=O)CC(=O)N1)C MCULE-2163827196 [0,2,0,0,0,0|1,0,1]=4 1890 B10R1.329 CC1(CC(=O)CC(=O)O1)C MCULE-1924006071 [0,2,0,0,0,0|0,0,1]=3 1891 B10R1.329 CC1(CC(=O)CC(=O)S1)C MCULE-3161141847 [0,2,0,0,0,0|0,1,1]=4 1892 B10R1.329 CC1(CC(=O)NC(=O)C1)C MCULE-3949417263 [0,2,0,0,0,0|2,0,0]=4 1893 B10R1.329 CC1(CC(=O)OC(=O)C1)C MCULE-1747312582 [0,2,0,0,0,0|2,0,0]=4 1894 B10R1.329 CC1(CC(=O)OC(=O)C1)O MCULE-5750197379 [0,2,0,0,0,0|2,0,0]=4 1895 B10R1.329 CC1(OC(=O)CC(=O)O1)C MCULE-4060287248 [0,2,0,0,0,0|1,0,1]=4 1896 B10R1.329 CC1=CC(=O)CC(C1)(C)C MCULE-5564101474 [0,2,0,0,0,0|1,0,0]=3 1897 B10R1.329 CC1=CC(=O)OC(O1)(C)C MCULE-8323747910 [0,2,0,0,0,0|1,0,0]=3 1898 B10R1.329 CC1=CC(=S)NC(C1)(C)C MCULE-9442010343 [0,2,0,0,0,0|1,1,0]=4 1899 B10R1.329 CC1=CC(CC(=C1)C)(C)C MCULE-2964207491 [0,2,0,0,0,0|2,0,0]=4 1900 B10R1.329 CC1CC(NC(=O)O1)(C)C MCULE-9059038179 [0,2,0,0,0,0|1,0,1]=4 1901 B8R1.34 CC(=O)OC1CNC1 MCULE-1464943134 [0,0,1,1,0,0|1,0,1]=4 1902 B8R1.34 CC(=O)OC1CNC1 MCULE-2801618495 [0,0,1,1,0,0|1,0,1]=4 1903 B8R1.34 CC(=O)OC1CNC1 MCULE-5204587569 [0,0,1,1,0,0|1,0,1]=4 1904 B8R1.34 NC(=O)OC1CNC1 MCULE-1968679475 [0,0,1,1,0,0|2,0,0]=4 1905 B8R1.34 NC(=O)OC1CNC1 MCULE-9969958473 [0,0,1,1,0,0|2,0,0]=4 1906 B8R1.40 C=CC(=O)CC1CC1 MCULE-2286262087 [0,0,1,1,0,0|1,0,0]=3 1907 B8R1.40 C=CC(=O)NC1CC1 MCULE-2482571861 [0,0,1,1,0,0|1,0,0]=3 1908 B8R1.40 NCC(=O)OC1CC1 MCULE-9881697631 [0,0,1,1,0,0|1,0,1]=4 1909 B8R1.42 CC(=O)OC1(CC1)C MCULE-8484243192 [0,0,1,1,0,0|0,0,2]=4 1910 B8R1.7 CC(=O)C1=CCCC1 MCULE-9623046872 [0,0,1,1,0,0|1,0,0]=3 1911 B8R1.7 CC(O)C1=CC=CN1 MCULE-9583986368 [0,0,1,1,0,0|1,0,1]=4 1912 B8R1.7 CC(O)C1=CC=CO1 MCULE-3593974083 [0,0,1,1,0,0|0,0,2]=4 1913 B8R1.7 CC(O)C1=CC=CO1 MCULE-8955975517 [0,0,1,1,0,0|0,0,2]=4 1914 B8R1.7 CC(O)C1=CC=CS1 MCULE-6993804037 [0,0,1,1,0,0|0,1,1]=4 1915 B8R1.7 C[C@@H](O)C1=CC=CO1 MCULE-3160995315 [0,0,1,1,0,0|0,0,2]=4 1916 B8R1.7 C[C@@H](O)C1=CC=CO1 MCULE-5913992407 [0,0,1,1,0,0|0,0,2]=4 1917 B8R1.7 C[C@@H](O)C1=CC=CS1 MCULE-5544383027 [0,0,1,1,0,0|0,1,1]=4 1918 B8R1.7 C[C@@H](O)C1=CC=CS1 MCULE-9856187465 [0,0,1,1,0,0|0,1,1]=4 1919 B8R1.7 C[C@H](O)C1=CC=CO1 MCULE-4636464749 [0,0,1,1,0,0|0,0,2]=4 1920 B8R1.7 C[C@H](O)C1=CC=CS1 MCULE-2916392799 [0,0,1,1,0,0|0,1,1]=4 1921 B8R1.7 O=C(O)C1=CCCC1 MCULE-2928571993 [0,0,1,1,0,0|0,0,0]=2 1922 B8R1.7 O=C(O)C1=CCCO1 MCULE-8380391200 [0,0,1,1,0,0|1,0,0]=3 1923 B8R1.7 O=C(O)C1=CCCS1 MCULE-9231409703 [0,0,1,1,0,0|1,0,0]=3 1924 B8R1.7 O=C(O)C1=CCNC1 MCULE-2391284266 [0,0,1,1,0,0|1,0,0]=3 1925 B8R1.7 O=C(O)C1=CCNC1 MCULE-5725335930 [0,0,1,1,0,0|1,0,0]=3 1926 B8R1.7 O=C(O)C1=CCOC1 MCULE-3209603870 [0,0,1,1,0,0|1,0,0]=3 1927 B8R1.7 O=C(O)C1=CCSC1 MCULE-3187835692 [0,0,1,1,0,0|1,0,0]=3 1928 B8R1.7 O=C(O)C1=COCC1 MCULE-7263072561 [0,0,1,1,0,0|1,0,0]=3 1929 B8R1.7 O=C(O)C1=CSCS1 MCULE-2399429418 [0,0,1,1,0,0|2,0,0]=4 1930 B8R1.7 O=C(O)C1=NCCC1 MCULE-2664768755 [0,0,1,1,0,0|1,0,0]=3 1931 B8R1.7 O=C(O)C1=NOCC1 MCULE-3126584315 [0,0,1,1,0,0|2,0,0]=4 1932 B8R1.7 O=C(O)C1C=CCC1 MCULE-8870546284 [0,0,1,1,0,0|0,0,2]=4 1933 B8R1.7 O=C(O)C1CCCC1 MCULE-6415159340 [0,0,1,1,0,0|0,0,2]=4 1934 B8R1.7 O=C(O)C1CCCN1 MCULE-2229401513 [0,0,1,1,0,0|1,0,1]=4 1935 B8R1.7 O=C(O)C1CCCN1 MCULE-6305507014 [0,0,1,1,0,0|1,0,1]=4 1936 B8R1.7 O=C(O)C1CCCN1 MCULE-8387491590 [0,0,1,1,0,0|1,0,1]=4 1937 B8R1.7 O=C(O)C1CCCN1 MCULE-8611160929 [0,0,1,1,0,0|1,0,1]=4 1938 B8R1.7 O=C(O)C1CCCO1 MCULE-1952289090 [0,0,1,1,0,0|1,0,1]=4 1939 B8R1.7 O=C(O)C1CCCO1 MCULE-5387481824 [0,0,1,1,0,0|1,0,1]=4 1940 B8R1.7 O=C(O)C1CCCS1 MCULE-7760686042 [0,0,1,1,0,0|1,0,1]=4 1941 B8R1.7 O=C(O)N1CCCC1 MCULE-7984061130 [0,0,1,1,0,0|1,0,1]=4 1942 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-1020921088 [0,0,1,1,0,0|1,0,1]=4 1943 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6398060480 [0,0,1,1,0,0|1,0,1]=4 1944 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6772131264 [0,0,1,1,0,0|1,0,1]=4 1945 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-8415049837 [0,0,1,1,0,0|1,0,1]=4 1946 B8R1.7 O=C(O)[C@@H]1CCCO1 MCULE-5193388500 [0,0,1,1,0,0|1,0,1]=4 1947 B8R1.7 O=C(O)[C@@H]1CCCO1 MCULE-8181760406 [0,0,1,1,0,0|1,0,1]=4 1948 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-5856142508 [0,0,1,1,0,0|1,0,1]=4 1949 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-7748032436 [0,0,1,1,0,0|1,0,1]=4 1950 B8R1.7 O=C(O)[C@H]1CCCO1 MCULE-2258024439 [0,0,1,1,0,0|1,0,1]=4 1951 B8R1.7 O=C(O)[C@H]1CCCO1 MCULE-5143953192 [0,0,1,1,0,0|1,0,1]=4 1952 B8R1.7 OB(O)C1=CCCC1 MCULE-9719215712 [0,0,1,1,0,0|1,0,1]=4 1953 B8R1.22 O=C1C=CCCCC1 MCULE-5281461360 [0,0,1,1,0,0|1,0,0]=3 1954 B8R1.22 O=C1C=CCCCN1 MCULE-6257739832 [0,0,1,1,0,0|1,0,0]=3 1955 B8R1.22 O=C1CCCCCO1 MCULE-3051096014 [0,0,1,1,0,0|0,0,2]=4 1956 B8R1.22 O=C1OCCCCO1 MCULE-1107419276 [0,0,1,1,0,0|1,0,1]=4 1957 B8R1.35 O=C(O)/C=C/C1CC1 MCULE-2218783834 [0,0,1,1,0,0|0,0,0]=2 1958 B8R1.35 O=C(O)C#CC1CC1 MCULE-8494271998 [0,0,1,1,0,0|0,0,2]=4 1959 B8R1.35 O=C(O)C=CC1CC1 MCULE-9706214568 [0,0,1,1,0,0|0,0,0]=2 1960 B8R1.35 O=C(O)CCC1CC1 MCULE-1377442346 [0,0,1,1,0,0|0,0,2]=4 1961 B8R1.35 O=C(O)CNC1CC1 MCULE-7811029224 [0,0,1,1,0,0|1,0,1]=4 1962 B8R1.35 O=C(O)CNC1CC1 MCULE-9104732369 [0,0,1,1,0,0|1,0,1]=4 1963 B8R1.35 O=C(O)COC1CC1 MCULE-2555477617 [0,0,1,1,0,0|1,0,1]=4 1964 B8R1.35 O=C(O)CSC1CC1 MCULE-7890561094 [0,0,1,1,0,0|1,0,1]=4 1965 B8R1.35 O=[N+]([O-])C=CC1CC1 MCULE-1592208592 [0,0,1,1,0,0|1,0,1]=4 1966 B8R1.35 OB(O)/C=C/C1CC1 MCULE-3201965881 [0,0,1,1,0,0|1,0,1]=4 1967 B8R1.35 OB(O)C=CC1CC1 MCULE-7418523432 [0,0,1,1,0,0|1,0,1]=4 1968 B8R1.8 CCOC1=CC=CS1 MCULE-9738674536 [0,0,1,1,0,0|0,1,1]=4 1969 B8R1.8 CCOC1=CSC=C1 MCULE-5162522033 [0,0,1,1,0,0|2,0,0]=4 1970 B8R1.8 CCOC1=NNC=C1 MCULE-4229986059 [0,0,1,1,0,0|2,0,0]=4 1971 B8R1.8 O=C=NC1CC=CC1 MCULE-9103636427 [0,0,1,1,0,0|1,0,1]=4 1972 B8R1.37 CCOC(=O)C1CC1 MCULE-1233809766 [0,0,1,1,0,0|0,0,2]=4 1973 B8R1.37 CCOC(=O)C1CO1 MCULE-6286980506 [0,0,1,1,0,0|1,0,1]=4 1974 B8R1.37 CCOC(=O)[C@@H]1CO1 MCULE-2938641654 [0,0,1,1,0,0|1,0,1]=4 1975 B8R1.37 CCOC(=O)[C@@H]1CO1 MCULE-4221865731 [0,0,1,1,0,0|1,0,1]=4 1976 B8R1.37 CCOC(=O)[C@H]1CO1 MCULE-6602474167 [0,0,1,1,0,0|1,0,1]=4 1977 B8R2.4 O=C1CC2CC1C2 MCULE-5372379094 [0,0,0,1,1,0|1,0,1]=4 1978 B10R2.42 O=C1OC(=O)[C@H]2[C@@H]1C=C2 MCULE-9503529435 [0,0,0,1,0,1|1,0,1]=4 1979 B10R2.61 O=C1OC2C=CCC1C2 MCULE-3922449822 [0,0,0,1,0,1|0,0,2]=4 1980 B10R2.61 O=C1OC2CCNC1C2 MCULE-8392788767 [0,0,0,1,0,1|0,0,2]=4 1981 B10R2.61 O=C1OC2CCOC1C2 MCULE-4977323499 [0,0,0,1,0,1|0,0,2]=4 1982 B10R2.179 CC12CCCC(=O)C1O2 MCULE-5513375456 [0,0,0,1,0,1|0,0,2]=4 1983 B10R2.62 C12CCC(CC1)C(=O)O2 MCULE-4611258343 [0,1,0,1,0,0|0,0,2]=4 1984 B10R2.62 O=C1OC2CCC1CC2 MCULE-7150392682 [0,1,0,1,0,0|0,0,2]=4 1985 B10R2.60 O=C1OC2CC1CC2Br MCULE-9788012516 [0,1,0,1,0,0|0,0,2]=4 1986 B6R0.3 C#CC(=O)C(C)C MCULE-9471281560 [0,0,1,0,1,0|0,0,2]=4 1987 B6R0.3 C=C(C)C(C)CC MCULE-3736079313 [0,0,1,0,1,0|1,0,1]=4 1988 B6R0.3 C=C(I)C(C)CI MCULE-8558127481 [0,0,1,0,1,0|2,0,0]=4 1989 B6R0.3 C=C(I)[C@H](C)CI MCULE-1089285398 [0,0,1,0,1,0|2,0,0]=4 1990 B6R0.3 C=C(I)[C@H](C)CI MCULE-5444456468 [0,0,1,0,1,0|2,0,0]=4 1991 B6R0.3 C=CC(=O)C(C)C MCULE-8577593172 [0,0,1,0,1,0|0,0,0]=2 1992 B6R0.3 C=CC(=O)N(C)C MCULE-3105693382 [0,0,1,0,1,0|1,0,0]=3 1993 B6R0.3 C=CC(C)C(=O)O MCULE-7280145889 [0,0,1,0,1,0|1,0,1]=4 1994 B6R0.3 C=CC(C)C(C)C MCULE-4461669612 [0,0,1,0,1,0|1,0,1]=4 1995 B6R0.3 C=CC(O)C(C)C MCULE-2504249276 [0,0,1,0,1,0|0,0,2]=4 1996 B6R0.3 C=C[C@@H](C)C(=O)O MCULE-9719548038 [0,0,1,0,1,0|1,0,1]=4 1997 B6R0.3 C=C[C@H](C)C(=O)O MCULE-1694697840 [0,0,1,0,1,0|1,0,1]=4 1998 B6R0.3 C=C[C@H](C)C(=O)O MCULE-2601438258 [0,0,1,0,1,0|1,0,1]=4 1999 B6R0.3 C=C[C@H](C)C(=O)O MCULE-6098133430 [0,0,1,0,1,0|1,0,1]=4 2000 B6R0.3 CC(=O)C(C)CO MCULE-9026658672 [0,0,1,0,1,0|1,0,1]=4 2001 B6R0.3 CC(C)C(=O)CBr MCULE-5913227185 [0,0,1,0,1,0|1,0,1]=4 2002 B6R0.3 CC(C)C(=O)CCl MCULE-4093256141 [0,0,1,0,1,0|1,0,1]=4 2003 B6R0.3 CC(C)C(=O)CN MCULE-6091425997 [0,0,1,0,1,0|1,0,1]=4 2004 B6R0.3 CC(C)C(=O)CN MCULE-7368122425 [0,0,1,0,1,0|1,0,1]=4 2005 B6R0.3 CC(C)C(=O)CO MCULE-8746789873 [0,0,1,0,1,0|1,0,1]=4 2006 B6R0.3 CC(C)C(=O)NN MCULE-1262854337 [0,0,1,0,1,0|2,0,0]=4 2007 B6R0.3 CC(CBr)C(=O)O MCULE-1430003780 [0,0,1,0,1,0|2,0,0]=4 2008 B6R0.3 CC(CF)C(=O)O MCULE-7390028409 [0,0,1,0,1,0|2,0,0]=4 2009 B6R0.3 CC(CN)C(=O)O MCULE-5485986433 [0,0,1,0,1,0|2,0,0]=4 2010 B6R0.3 CC(CN)C(=O)O MCULE-5638884438 [0,0,1,0,1,0|2,0,0]=4 2011 B6R0.3 CC(CO)C(=O)O MCULE-2772009804 [0,0,1,0,1,0|2,0,0]=4 2012 B6R0.3 CC(CO)C(=O)[O-] MCULE-6956620176 [0,0,1,0,1,0|2,0,0]=4 2013 B6R0.3 CC(CS)C(=O)O MCULE-9982386135 [0,0,1,0,1,0|2,0,0]=4 2014 B6R0.3 CC=C(C)C(C)C MCULE-4070109813 [0,0,1,0,1,0|1,0,1]=4 2015 B6R0.3 CCC(=O)C(C)C MCULE-9576230007 [0,0,1,0,1,0|0,0,2]=4 2016 B6R0.3 CCC(C)C(=O)C MCULE-5294244024 [0,0,1,0,1,0|0,0,2]=4 2017 B6R0.3 CCC(C)C(=O)Cl MCULE-3594098886 [0,0,1,0,1,0|1,0,1]=4 2018 B6R0.3 CCC(C)C(=O)N MCULE-9298244547 [0,0,1,0,1,0|1,0,1]=4 2019 B6R0.3 CCC(C)C(=O)O MCULE-5615925204 [0,0,1,0,1,0|1,0,1]=4 2020 B6R0.3 CCC(C)C(=O)O MCULE-7434436828 [0,0,1,0,1,0|1,0,1]=4 2021 B6R0.3 CC[C@@H](C)C(=O)N MCULE-3083676357 [0,0,1,0,1,0|1,0,1]=4 2022 B6R0.3 CC[C@@H](C)C(=O)N MCULE-4584753474 [0,0,1,0,1,0|1,0,1]=4 2023 B6R0.3 CC[C@@H](C)C(=O)O MCULE-4225604875 [0,0,1,0,1,0|1,0,1]=4 2024 B6R0.3 CC[C@@H](C)C(=O)O MCULE-6581991788 [0,0,1,0,1,0|1,0,1]=4 2025 B6R0.3 CC[C@H](C)C(=O)O MCULE-5170193492 [0,0,1,0,1,0|1,0,1]=4 2026 B6R0.3 CC[C@H](C)C(=O)O MCULE-6595467867 [0,0,1,0,1,0|1,0,1]=4 2027 B6R0.3 CNC(=O)C(C)C MCULE-9646758802 [0,0,1,0,1,0|1,0,1]=4 2028 B6R0.3 COC(=O)C(C)C MCULE-8740211817 [0,0,1,0,1,0|1,0,1]=4 2029 B6R0.3 CSC(=O)C(C)C MCULE-3533547228 [0,0,1,0,1,0|1,0,1]=4 2030 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4438181090 [0,0,1,0,1,0|2,0,0]=4 2031 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4599481344 [0,0,1,0,1,0|2,0,0]=4 2032 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5826933618 [0,0,1,0,1,0|2,0,0]=4 2033 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5914856504 [0,0,1,0,1,0|2,0,0]=4 2034 B6R0.3 C[C@@H](CO)C(=O)O MCULE-1381224499 [0,0,1,0,1,0|2,0,0]=4 2035 B6R0.3 C[C@@H](CO)C(=O)O MCULE-4599417419 [0,0,1,0,1,0|2,0,0]=4 2036 B6R0.3 C[C@H](CN)C(=O)O MCULE-3703540023 [0,0,1,0,1,0|2,0,0]=4 2037 B6R0.3 C[C@H](CN)C(=O)O MCULE-5714771083 [0,0,1,0,1,0|2,0,0]=4 2038 B6R0.3 C[C@H](CN)C(=O)O MCULE-9009901306 [0,0,1,0,1,0|2,0,0]=4 2039 B6R0.3 C[C@H](CN)C(=O)O MCULE-9217365463 [0,0,1,0,1,0|2,0,0]=4 2040 B6R0.3 C[C@H](CO)C(=O)O MCULE-7012562122 [0,0,1,0,1,0|2,0,0]=4 2041 B6R0.3 C[C@H](CO)C(=O)O MCULE-9702865885 [0,0,1,0,1,0|2,0,0]=4 2042 B6R0.3 C[C@H](CO)C(=O)[O-] MCULE-5733737039 [0,0,1,0,1,0|2,0,0]=4 2043 B6R1.2 BrC1=CC=CO1 MCULE-5734064318 [1,0,0,0,1,0|1,0,1]=4 2044 B6R1.2 BrC1=CC=NO1 MCULE-9219362534 [1,0,0,0,1,0|2,0,0]=4 2045 B6R1.2 BrC1=CCCC1 MCULE-1008379150 [1,0,0,0,1,0|1,0,1]=4 2046 B6R1.2 BrC1=COCC1 MCULE-8057569313 [1,0,0,0,1,0|2,0,0]=4 2047 B6R1.2 BrC1CC=CC1 MCULE-8834603275 [1,0,0,0,1,0|1,0,1]=4 2048 B6R1.2 CC1=CC=CC1 MCULE-3765599626 [1,0,0,0,1,0|0,0,1]=3 2049 B6R1.2 CC1=CC=CN1 MCULE-7608248575 [1,0,0,0,1,0|1,0,1]=4 2050 B6R1.2 CC1=CC=CO1 MCULE-3620289319 [1,0,0,0,1,0|0,0,1]=3 2051 B6R1.2 CC1=CC=CS1 MCULE-7297776024 [1,0,0,0,1,0|0,1,1]=4 2052 B6R1.2 CC1=CC=NO1 MCULE-3188314923 [1,0,0,0,1,0|1,0,1]=4 2053 B6R1.2 CC1=CCCC1 MCULE-8508688474 [1,0,0,0,1,0|1,0,1]=4 2054 B6R1.2 CC1=CCCO1 MCULE-7276659214 [1,0,0,0,1,0|1,0,0]=3 2055 B6R1.2 CC1=CN=CO1 MCULE-4609626879 [1,0,0,0,1,0|1,0,1]=4 2056 B6R1.2 CC1=NC=CO1 MCULE-7894525701 [1,0,0,0,1,0|1,0,1]=4 2057 B6R1.2 CC1=NCCO1 MCULE-8564633040 [1,0,0,0,1,0|2,0,0]=4 2058 B6R1.2 CC1C=CCC1 MCULE-1638534048 [1,0,0,0,1,0|0,0,1]=3 2059 B6R1.2 CC1CCCO1 MCULE-2526138687 [1,0,0,0,1,0|0,0,2]=4 2060 B6R1.2 CC1COCO1 MCULE-9332316279 [1,0,0,0,1,0|1,0,1]=4 2061 B6R1.2 CN1C=CC=C1 MCULE-4929965979 [1,0,0,0,1,0|1,0,1]=4 2062 B6R1.2 CN1C=CC=N1 MCULE-9409141633 [1,0,0,0,1,0|2,0,0]=4 2063 B6R1.2 CN1CC=CC1 MCULE-2586884916 [1,0,0,0,1,0|1,0,1]=4 2064 B6R1.2 ClC1=CC=CO1 MCULE-3538307465 [1,0,0,0,1,0|1,0,1]=4 2065 B6R1.2 ClC1=CCCC1 MCULE-7680993065 [1,0,0,0,1,0|1,0,1]=4 2066 B6R1.2 IC1=CC=CO1 MCULE-6467830719 [1,0,0,0,1,0|1,0,1]=4 2067 B6R1.2 IC1=CCCC1 MCULE-5953451970 [1,0,0,0,1,0|1,0,1]=4 2068 B6R1.2 IC1=COCC1 MCULE-3076361502 [1,0,0,0,1,0|2,0,0]=4 2069 B6R1.2 NC1=CC=CO1 MCULE-2421139965 [1,0,0,0,1,0|1,0,1]=4 2070 B6R1.2 NC1=CC=NO1 MCULE-3638275568 [1,0,0,0,1,0|2,0,0]=4 2071 B6R1.2 NC1=NCCO1 MCULE-1257431295 [1,0,0,0,1,0|2,0,0]=4 2072 B6R1.2 NC1=NCCO1 MCULE-9912511107 [1,0,0,0,1,0|2,0,0]=4 2073 B6R1.2 NC1C=CCC1 MCULE-2537724380 [1,0,0,0,1,0|1,0,1]=4 2074 B6R1.2 NC1C=CCC1 MCULE-5017993489 [1,0,0,0,1,0|1,0,1]=4 2075 B6R1.2 NC1CC=CC1 MCULE-3815719332 [1,0,0,0,1,0|1,0,1]=4 2076 B6R1.2 NC1CC=CC1 MCULE-9984030144 [1,0,0,0,1,0|1,0,1]=4 2077 B6R1.2 O=C1C=CCC1 MCULE-1844779047 [1,0,0,0,1,0|0,0,0]=2 2078 B6R1.2 O=C1C=CCN1 MCULE-4338701003 [1,0,0,0,1,0|1,0,0]=3 2079 B6R1.2 O=C1C=CCO1 MCULE-4296503663 [1,0,0,0,1,0|0,0,0]=2 2080 B6R1.2 O=C1C=CCS1 MCULE-5623095583 [1,0,0,0,1,0|0,1,0]=3 2081 B6R1.2 O=C1C=CNN1 MCULE-8045056316 [1,0,0,0,1,0|2,0,0]=4 2082 B6R1.2 O=C1C=CSC1 MCULE-6580304664 [1,0,0,0,1,0|1,0,0]=3 2083 B6R1.2 O=C1C=CSN1 MCULE-6820517860 [1,0,0,0,1,0|2,0,0]=4 2084 B6R1.2 O=C1CC=CC1 MCULE-7606670114 [1,0,0,0,1,0|0,0,2]=4 2085 B6R1.2 O=C1CCCC1 MCULE-9455227735 [1,0,0,0,1,0|0,0,2]=4 2086 B6R1.2 O=C1CCCN1 MCULE-3061780794 [1,0,0,0,1,0|1,0,1]=4 2087 B6R1.2 O=C1CCCO1 MCULE-6795890265 [1,0,0,0,1,0|0,0,1]=3 2088 B6R1.2 O=C1CCCS1 MCULE-5361654550 [1,0,0,0,1,0|0,1,1]=4 2089 B6R1.2 O=C1CCNC1 MCULE-2947789259 [1,0,0,0,1,0|1,0,1]=4 2090 B6R1.2 O=C1CCNC1 MCULE-7192595052 [1,0,0,0,1,0|1,0,1]=4 2091 B6R1.2 O=C1CCNN1 MCULE-7030953666 [1,0,0,0,1,0|2,0,0]=4 2092 B6R1.2 O=C1CCOC1 MCULE-2031733910 [1,0,0,0,1,0|1,0,1]=4 2093 B6R1.2 O=C1CCON1 MCULE-6799359324 [1,0,0,0,1,0|2,0,0]=4 2094 B6R1.2 O=C1CCSC1 MCULE-2059655624 [1,0,0,0,1,0|1,0,1]=4 2095 B6R1.2 O=C1CC[NH2+]N1 MCULE-5327505055 [1,0,0,0,1,0|2,0,0]=4 2096 B6R1.2 O=C1NC=CO1 MCULE-4371023805 [1,0,0,0,1,0|1,0,1]=4 2097 B6R1.2 O=C1NCCN1 MCULE-9806791551 [1,0,0,0,1,0|2,0,0]=4 2098 B6R1.2 O=C1NCCO1 MCULE-3934923008 [1,0,0,0,1,0|1,0,0]=3 2099 B6R1.2 O=C1NCCS1 MCULE-6732478086 [1,0,0,0,1,0|1,1,0]=4 2100 B6R1.2 O=C1OC=CO1 MCULE-1924277704 [1,0,0,0,1,0|1,0,1]=4 2101 B6R1.2 O=C1OCCO1 MCULE-9493253045 [1,0,0,0,1,0|1,0,0]=3 2102 B6R1.2 O=S1OCCO1 MCULE-5773173321 [1,0,0,0,1,0|2,0,0]=4 2103 B6R1.2 OC1=CC=CO1 MCULE-7591676996 [1,0,0,0,1,0|0,0,2]=4 2104 B6R1.2 OC1C=CCC1 MCULE-3857764876 [1,0,0,0,1,0|0,0,2]=4 2105 B6R1.2 OC1C=CCO1 MCULE-4636930669 [1,0,0,0,1,0|0,0,2]=4 2106 B6R1.2 OC1CC=CC1 MCULE-6176562196 [1,0,0,0,1,0|1,0,1]=4 2107 B6R1.2 P1(=O)OCCO1 MCULE-3753821837 [1,0,0,0,1,0|2,0,0]=4 2108 B6R1.2 SC1=NCCO1 MCULE-6684545723 [1,0,0,0,1,0|1,1,0]=4 2109 B6R1.2 [Li]C1C=CC=C1 MCULE-1100709751 [1,0,0,0,1,0|1,0,1]=4 2110 B6R1.2 [TlH2]C1=CC=CC1 MCULE-7402896981 [1,0,0,0,1,0|1,0,1]=4 2111 B6R1.4 CC1CCC1=O MCULE-4548181715 [0,0,0,0,2,0|0,0,1]=3 2112 B6R1.4 CC1CNC1=O MCULE-5523309752 [0,0,0,0,2,0|1,0,0]=3 2113 B6R1.4 CC1COC1=O MCULE-9711165188 [0,0,0,0,2,0|1,0,0]=3 2114 B6R1.4 CC1OCC1=O MCULE-7718609686 [0,0,0,0,2,0|1,0,1]=4 2115 B6R1.4 NC1CCC1=O MCULE-3868209809 [0,0,0,0,2,0|1,0,1]=4 2116 B6R1.4 NC1CCC1=O MCULE-9741389143 [0,0,0,0,2,0|1,0,1]=4 2117 B6R1.4 NC1CNC1=O MCULE-2761616663 [0,0,0,0,2,0|2,0,0]=4 2118 B6R1.4 NC1CNC1=O MCULE-3021306383 [0,0,0,0,2,0|2,0,0]=4 2119 B6R1.4 NC1CNC1=O MCULE-3943057121 [0,0,0,0,2,0|2,0,0]=4 2120 B6R1.4 NC1COC1=O MCULE-6998565452 [0,0,0,0,2,0|2,0,0]=4 2121 B6R1.4 N[C@@H]1CNC1=O MCULE-3645662662 [0,0,0,0,2,0|2,0,0]=4 2122 B6R1.4 N[C@@H]1CNC1=O MCULE-4399212271 [0,0,0,0,2,0|2,0,0]=4 2123 B6R1.4 N[C@@H]1CNC1=O MCULE-6332076219 [0,0,0,0,2,0|2,0,0]=4 2124 B6R1.4 N[C@@H]1CNC1=O MCULE-6365012530 [0,0,0,0,2,0|2,0,0]=4 2125 B6R1.4 N[C@@H]1COC1=O MCULE-8080548213 [0,0,0,0,2,0|2,0,0]=4 2126 B6R1.4 N[C@@H]1COC1=O MCULE-9370092691 [0,0,0,0,2,0|2,0,0]=4 2127 B6R1.4 N[C@H]1CNC1=O MCULE-2792436534 [0,0,0,0,2,0|2,0,0]=4 2128 B6R1.4 N[C@H]1CNC1=O MCULE-6881316562 [0,0,0,0,2,0|2,0,0]=4 2129 B6R1.4 N[C@H]1CNC1=O MCULE-8864053661 [0,0,0,0,2,0|2,0,0]=4 2130 B6R1.4 N[C@H]1CNC1=O MCULE-9014449253 [0,0,0,0,2,0|2,0,0]=4 2131 B6R1.4 N[C@H]1COC1=O MCULE-4812631526 [0,0,0,0,2,0|2,0,0]=4 2132 B6R1.4 O=C1CCC1Br MCULE-1088592133 [0,0,0,0,2,0|1,0,1]=4 2133 B6R1.4 O=C1CCC1F MCULE-6197375881 [0,0,0,0,2,0|1,0,1]=4 2134 B6R1.4 O=C1CCC1O MCULE-1248327203 [0,0,0,0,2,0|1,0,1]=4 2135 B6R1.4 O=C1CC[C@@H]1Br MCULE-3455449754 [0,0,0,0,2,0|1,0,1]=4 2136 B6R1.4 [C@@H]1(COC1=O)N MCULE-7456320845 [0,0,0,0,2,0|2,0,0]=4 2137 B6R1.5 C=C1CC(=O)O1 MCULE-7149487095 [0,0,0,0,2,0|0,0,2]=4 2138 B6R1.5 CC1CC(=O)C1 MCULE-2159393653 [0,0,0,0,2,0|1,0,0]=3 2139 B6R1.5 CC1CC(=O)N1 MCULE-6139592633 [0,0,0,0,2,0|1,0,0]=3 2140 B6R1.5 CC1CC(=O)O1 MCULE-9285847382 [0,0,0,0,2,0|0,0,0]=2 2141 B6R1.5 CN1CC(=O)C1 MCULE-1685267969 [0,0,0,0,2,0|2,0,0]=4 2142 B6R1.5 CN1CC(=O)C1 MCULE-2242594777 [0,0,0,0,2,0|2,0,0]=4 2143 B6R1.5 C[C@@H]1CC(=O)O1 MCULE-3257475519 [0,0,0,0,2,0|0,0,0]=2 2144 B6R1.5 NC1CC(=O)C1 MCULE-3450860282 [0,0,0,0,2,0|2,0,0]=4 2145 B6R1.5 NC1CC(=O)C1 MCULE-5974961836 [0,0,0,0,2,0|2,0,0]=4 2146 B6R1.5 O=C1CC(C1)Br MCULE-1715982282 [0,0,0,0,2,0|2,0,0]=4 2147 B6R1.5 O=C1CC(C1)F MCULE-2541516698 [0,0,0,0,2,0|2,0,0]=4 2148 B6R1.5 O=C1CC(C1)O MCULE-7099112258 [0,0,0,0,2,0|2,0,0]=4