0 B7R1.2 BrC1=CN=C(N1)I MCULE-2580134488 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.2 C1(CNC(=O)C1)N MCULE-6663942203 [0,0,0,0,0,0|3,0,1]=4 2 B7R1.2 C1(CNC(=O)C1)N MCULE-7862049809 [0,0,0,0,0,0|3,0,1]=4 3 B7R1.2 C1(CNC(=O)C1)O MCULE-5557473335 [0,0,0,0,0,0|2,0,2]=4 4 B7R1.2 C1(COC(=O)N1)C MCULE-2821940224 [0,0,0,0,0,0|2,0,1]=3 5 B7R1.2 C=C1C=CC(=O)O1 MCULE-1046353319 [0,0,0,0,0,0|2,0,2]=4 6 B7R1.2 C=C1CCC(=O)O1 MCULE-2485348963 [0,0,0,0,0,0|2,0,0]=2 7 B7R1.2 C=C1CNC(=S)S1 MCULE-5840114105 [0,0,0,0,0,0|3,1,0]=4 8 B7R1.2 CC1=CC(=O)CC1 MCULE-5496838191 [0,0,0,0,0,0|2,0,0]=2 9 B7R1.2 CC1=CC(=O)CO1 MCULE-6570401610 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.2 CC1=CC(=O)N=N1 MCULE-8356895370 [0,0,0,0,0,0|4,0,0]=4 11 B7R1.2 CC1=CC(=O)NO1 MCULE-4569959155 [0,0,0,0,0,0|4,0,0]=4 12 B7R1.2 CC1=CC(=O)OC1 MCULE-6549202383 [0,0,0,0,0,0|3,0,0]=3 13 B7R1.2 CC1=CC=C(N1)C MCULE-2630115640 [0,0,0,0,0,0|2,0,2]=4 14 B7R1.2 CC1=CC=C(N1)Cl MCULE-6650692655 [0,0,0,0,0,0|2,0,2]=4 15 B7R1.2 CC1=CCC(=O)O1 MCULE-5954539189 [0,0,0,0,0,0|2,0,1]=3 16 B7R1.2 CC1=CCC(=O)O1 MCULE-7236091694 [0,0,0,0,0,0|2,0,1]=3 17 B7R1.2 CC1=CCC(=O)S1 MCULE-5812502919 [0,0,0,0,0,0|2,0,1]=3 18 B7R1.2 CC1=CN=C(N1)N MCULE-5849111364 [0,0,0,0,0,0|3,0,1]=4 19 B7R1.2 CC1=CN=C(N1)N MCULE-9885122590 [0,0,0,0,0,0|3,0,1]=4 20 B7R1.2 CC1=CNC(=O)N1 MCULE-7571832495 [0,0,0,0,0,0|2,0,1]=3 21 B7R1.2 CC1=COC(=N)N1 MCULE-2875662146 [0,0,0,0,0,0|3,0,1]=4 22 B7R1.2 CC1=CSC(=O)N1 MCULE-6083480700 [0,0,0,0,0,0|2,0,1]=3 23 B7R1.2 CC1=NC(=O)N=N1 MCULE-2642903272 [0,0,0,0,0,0|3,0,1]=4 24 B7R1.2 CC1=NC(=O)NN1 MCULE-7112378155 [0,0,0,0,0,0|3,0,1]=4 25 B7R1.2 CC1=NC(CC1)C MCULE-9630685459 [0,0,0,0,0,0|2,0,2]=4 26 B7R1.2 CC1=NN=C(N1)N MCULE-5689037308 [0,0,0,0,0,0|4,0,0]=4 27 B7R1.2 CC1=NN=C(N1)S MCULE-6116140119 [0,0,0,0,0,0|3,1,0]=4 28 B7R1.2 CC1=NNC(=O)C1 MCULE-2406140611 [0,0,0,0,0,0|4,0,0]=4 29 B7R1.2 CC1=NOC(=O)C1 MCULE-2665741338 [0,0,0,0,0,0|4,0,0]=4 30 B7R1.2 CC1=NOC(=O)C1 MCULE-3084424307 [0,0,0,0,0,0|4,0,0]=4 31 B7R1.2 CC1=NOC(=O)O1 MCULE-5416417255 [0,0,0,0,0,0|4,0,0]=4 32 B7R1.2 CC1CC(=O)CO1 MCULE-7022597277 [0,0,0,0,0,0|3,0,1]=4 33 B7R1.2 CC1CC(=O)CS1 MCULE-7518365363 [0,0,0,0,0,0|3,0,1]=4 34 B7R1.2 CC1CCC(=N1)N MCULE-3470792627 [0,0,0,0,0,0|2,0,2]=4 35 B7R1.2 CC1CCC(=N1)N MCULE-7952001291 [0,0,0,0,0,0|2,0,2]=4 36 B7R1.2 CC1CCC(=O)C1 MCULE-6716533429 [0,0,0,0,0,0|2,0,1]=3 37 B7R1.2 CC1CCC(=O)N1 MCULE-8928464449 [0,0,0,0,0,0|1,0,1]=2 38 B7R1.2 CC1CCC(=O)N1 MCULE-9236321365 [0,0,0,0,0,0|1,0,1]=2 39 B7R1.2 CC1CCC(=O)O1 MCULE-3014789527 [0,0,0,0,0,0|2,0,1]=3 40 B7R1.2 CC1CCC(N1)C MCULE-8652550641 [0,0,0,0,0,0|2,0,2]=4 41 B7R1.2 CC1CCC(N1)C MCULE-9945795318 [0,0,0,0,0,0|2,0,2]=4 42 B7R1.2 CC1CC[C@H](N1)C MCULE-7537248866 [0,0,0,0,0,0|2,0,2]=4 43 B7R1.2 CC1CC[C@H](N1)C MCULE-8839413924 [0,0,0,0,0,0|2,0,2]=4 44 B7R1.2 CC1CNC(=O)C1 MCULE-7180589009 [0,0,0,0,0,0|3,0,1]=4 45 B7R1.2 CC1CNC(=O)N1 MCULE-3789430210 [0,0,0,0,0,0|2,0,1]=3 46 B7R1.2 CC1CNC(=O)O1 MCULE-1288358267 [0,0,0,0,0,0|3,0,1]=4 47 B7R1.2 CC1CNC(=S)N1 MCULE-5305006156 [0,0,0,0,0,0|2,1,1]=4 48 B7R1.2 CC1COC(=O)C1 MCULE-7226555218 [0,0,0,0,0,0|3,0,1]=4 49 B7R1.2 CC1COC(=O)N1 MCULE-5787960105 [0,0,0,0,0,0|2,0,1]=3 50 B7R1.2 CC1COC(=O)O1 MCULE-9055336051 [0,0,0,0,0,0|3,0,1]=4 51 B7R1.2 CC1COC(=S)N1 MCULE-4793665300 [0,0,0,0,0,0|2,1,1]=4 52 B7R1.2 CC1CSC(=O)S1 MCULE-5074098161 [0,0,0,0,0,0|3,0,1]=4 53 B7R1.2 CC1CSC(=S)N1 MCULE-9334196132 [0,0,0,0,0,0|2,1,1]=4 54 B7R1.2 CC1NCC(=O)N1 MCULE-9790180398 [0,0,0,0,0,0|2,0,1]=3 55 B7R1.2 CN1C=NC(=O)N1 MCULE-8089843600 [0,0,0,0,0,0|3,0,1]=4 56 B7R1.2 CN1CCC(=O)C1 MCULE-4017029823 [0,0,0,0,0,0|3,0,0]=3 57 B7R1.2 CN1CCC(=O)C1 MCULE-8684002131 [0,0,0,0,0,0|3,0,0]=3 58 B7R1.2 CN1N=CC(=O)N1 MCULE-1498333804 [0,0,0,0,0,0|3,0,1]=4 59 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-1621276410 [0,0,0,0,0,0|3,0,1]=4 60 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-8721208019 [0,0,0,0,0,0|3,0,1]=4 61 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-2915942259 [0,0,0,0,0,0|1,0,1]=2 62 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-8123247569 [0,0,0,0,0,0|1,0,1]=2 63 B7R1.2 C[C@@H]1CCC(=O)O1 MCULE-5934008113 [0,0,0,0,0,0|2,0,1]=3 64 B7R1.2 C[C@@H]1CC[C@H](N1)C MCULE-1673197449 [0,0,0,0,0,0|2,0,2]=4 65 B7R1.2 C[C@@H]1CC[C@H](N1)C MCULE-2729648845 [0,0,0,0,0,0|2,0,2]=4 66 B7R1.2 C[C@@H]1CC[C@H](N1)C MCULE-4960548681 [0,0,0,0,0,0|2,0,2]=4 67 B7R1.2 C[C@@H]1CC[C@H](N1)C MCULE-9686295802 [0,0,0,0,0,0|2,0,2]=4 68 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-2439559922 [0,0,0,0,0,0|3,0,1]=4 69 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-7246323100 [0,0,0,0,0,0|3,0,1]=4 70 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-8336717940 [0,0,0,0,0,0|3,0,1]=4 71 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-9661080313 [0,0,0,0,0,0|3,0,1]=4 72 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1121808555 [0,0,0,0,0,0|3,0,1]=4 73 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1627827491 [0,0,0,0,0,0|3,0,1]=4 74 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-2439588002 [0,0,0,0,0,0|2,0,1]=3 75 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-5329850427 [0,0,0,0,0,0|2,0,1]=3 76 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-3187800510 [0,0,0,0,0,0|3,0,1]=4 77 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-6719271655 [0,0,0,0,0,0|3,0,1]=4 78 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-3272300487 [0,0,0,0,0,0|3,0,1]=4 79 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-4583858198 [0,0,0,0,0,0|3,0,1]=4 80 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-5135895304 [0,0,0,0,0,0|3,0,1]=4 81 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-6058896534 [0,0,0,0,0,0|3,0,1]=4 82 B7R1.2 C[C@H]1CCC(=O)C1 MCULE-7319626625 [0,0,0,0,0,0|2,0,1]=3 83 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-2618122031 [0,0,0,0,0,0|1,0,1]=2 84 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-6630066118 [0,0,0,0,0,0|1,0,1]=2 85 B7R1.2 C[C@H]1CCC(=O)O1 MCULE-5274272771 [0,0,0,0,0,0|2,0,1]=3 86 B7R1.2 C[C@H]1CC[C@@H](N1)C MCULE-4583560293 [0,0,0,0,0,0|2,0,2]=4 87 B7R1.2 C[C@H]1CC[C@@H](N1)C MCULE-8297612622 [0,0,0,0,0,0|2,0,2]=4 88 B7R1.2 C[C@H]1CC[C@@H](N1)C MCULE-8699883146 [0,0,0,0,0,0|2,0,2]=4 89 B7R1.2 C[C@H]1CC[C@@H](N1)C MCULE-8917914682 [0,0,0,0,0,0|2,0,2]=4 90 B7R1.2 C[C@H]1CC[C@H](N1)C MCULE-1935235769 [0,0,0,0,0,0|2,0,2]=4 91 B7R1.2 C[C@H]1CC[C@H](N1)C MCULE-9833374653 [0,0,0,0,0,0|2,0,2]=4 92 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-3395896178 [0,0,0,0,0,0|3,0,1]=4 93 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-8492971593 [0,0,0,0,0,0|3,0,1]=4 94 B7R1.2 C[C@H]1COC(=O)C1 MCULE-6050720348 [0,0,0,0,0,0|3,0,1]=4 95 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7240884474 [0,0,0,0,0,0|2,0,1]=3 96 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7811823319 [0,0,0,0,0,0|2,0,1]=3 97 B7R1.2 C[C@H]1COC(=O)O1 MCULE-2416711374 [0,0,0,0,0,0|3,0,1]=4 98 B7R1.2 C[C@H]1COC(=O)O1 MCULE-4223856214 [0,0,0,0,0,0|3,0,1]=4 99 B7R1.2 C[C@H]1CSC(=S)N1 MCULE-6690407523 [0,0,0,0,0,0|2,1,1]=4 100 B7R1.2 IC1=CN=C(N1)I MCULE-6439751886 [0,0,0,0,0,0|3,0,1]=4 101 B7R1.2 N=C1CSC(=N1)N MCULE-1758228599 [0,0,0,0,0,0|3,0,1]=4 102 B7R1.2 N=C1CSC(=N1)N MCULE-8821439430 [0,0,0,0,0,0|3,0,1]=4 103 B7R1.2 N=C1CSC(=O)N1 MCULE-9647262906 [0,0,0,0,0,0|2,0,0]=2 104 B7R1.2 N=C1NC(=O)SS1 MCULE-7339465409 [0,0,0,0,0,0|3,0,0]=3 105 B7R1.2 NC1=CC(=O)CC1 MCULE-9465243079 [0,0,0,0,0,0|2,0,0]=2 106 B7R1.2 NC1=CC(=O)CS1 MCULE-9118810823 [0,0,0,0,0,0|3,0,0]=3 107 B7R1.2 NC1=CC(=O)NN1 MCULE-6721529473 [0,0,0,0,0,0|4,0,0]=4 108 B7R1.2 NC1=NC(=O)C=N1 MCULE-2020007120 [0,0,0,0,0,0|2,0,2]=4 109 B7R1.2 NC1=NC(=O)C=N1 MCULE-3303233815 [0,0,0,0,0,0|2,0,2]=4 110 B7R1.2 NC1=NC(=O)CO1 MCULE-5739646901 [0,0,0,0,0,0|2,0,1]=3 111 B7R1.2 NC1=NC(=O)CS1 MCULE-1329225872 [0,0,0,0,0,0|2,0,1]=3 112 B7R1.2 NC1=NC(=O)CS1 MCULE-6008399337 [0,0,0,0,0,0|2,0,1]=3 113 B7R1.2 NC1=NCC(=O)N1 MCULE-7816305365 [0,0,0,0,0,0|2,0,0]=2 114 B7R1.2 NC1=NCC(=O)N1 MCULE-9546104284 [0,0,0,0,0,0|2,0,0]=2 115 B7R1.2 NC1=NCC(=O)S1 MCULE-1885235061 [0,0,0,0,0,0|3,0,0]=3 116 B7R1.2 NC1=NN=C(N1)N MCULE-3092785488 [0,0,0,0,0,0|4,0,0]=4 117 B7R1.2 NC1=NNC(=O)C1 MCULE-1000997494 [0,0,0,0,0,0|4,0,0]=4 118 B7R1.2 NC1=NNC(=O)N1 MCULE-9633941721 [0,0,0,0,0,0|3,0,0]=3 119 B7R1.2 NC1CCC(=O)C1 MCULE-5102535286 [0,0,0,0,0,0|2,0,1]=3 120 B7R1.2 NC1CCC(=O)C1 MCULE-7722818264 [0,0,0,0,0,0|2,0,1]=3 121 B7R1.2 NC1CCC(=O)N1 MCULE-1843033026 [0,0,0,0,0,0|1,0,1]=2 122 B7R1.2 NC1CCC(=O)N1 MCULE-7671057220 [0,0,0,0,0,0|1,0,1]=2 123 B7R1.2 NC1CCS(=O)C1 MCULE-7416029311 [0,0,0,0,0,0|3,0,1]=4 124 B7R1.2 NC1CCS(=O)C1 MCULE-8914660363 [0,0,0,0,0,0|3,0,1]=4 125 B7R1.2 NC1CNC(=O)C1 MCULE-1690074091 [0,0,0,0,0,0|3,0,1]=4 126 B7R1.2 NC1CNC(=O)C1 MCULE-2563813057 [0,0,0,0,0,0|3,0,1]=4 127 B7R1.2 NC1CNC(=O)C1 MCULE-5332234739 [0,0,0,0,0,0|3,0,1]=4 128 B7R1.2 NC1CNC(=O)C1 MCULE-9955937074 [0,0,0,0,0,0|3,0,1]=4 129 B7R1.2 NC1COC(=O)C1 MCULE-1027386953 [0,0,0,0,0,0|3,0,1]=4 130 B7R1.2 NC1COC(=O)C1 MCULE-1493825051 [0,0,0,0,0,0|3,0,1]=4 131 B7R1.2 NC1COC(=O)C1 MCULE-3118610284 [0,0,0,0,0,0|3,0,1]=4 132 B7R1.2 NC1COC(=O)C1 MCULE-8194840985 [0,0,0,0,0,0|3,0,1]=4 133 B7R1.2 NC1NC(=O)CS1 MCULE-5789159592 [0,0,0,0,0,0|2,0,1]=3 134 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-1502944618 [0,0,0,0,0,0|3,0,1]=4 135 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-2444469131 [0,0,0,0,0,0|3,0,1]=4 136 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-7277309874 [0,0,0,0,0,0|3,0,1]=4 137 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-8533160250 [0,0,0,0,0,0|3,0,1]=4 138 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-2437548952 [0,0,0,0,0,0|3,0,1]=4 139 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4215135536 [0,0,0,0,0,0|3,0,1]=4 140 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4884145743 [0,0,0,0,0,0|3,0,1]=4 141 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-9276068415 [0,0,0,0,0,0|3,0,1]=4 142 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-1884894725 [0,0,0,0,0,0|3,0,1]=4 143 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-2130809002 [0,0,0,0,0,0|3,0,1]=4 144 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-3881338264 [0,0,0,0,0,0|3,0,1]=4 145 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-4324375667 [0,0,0,0,0,0|3,0,1]=4 146 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-5900761307 [0,0,0,0,0,0|3,0,1]=4 147 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-6007209179 [0,0,0,0,0,0|3,0,1]=4 148 B7R1.2 N[C@H]1COC(=O)C1 MCULE-2936782126 [0,0,0,0,0,0|3,0,1]=4 149 B7R1.2 N[C@H]1COC(=O)C1 MCULE-4255876921 [0,0,0,0,0,0|3,0,1]=4 150 B7R1.2 N[C@H]1COC(=O)C1 MCULE-5377151477 [0,0,0,0,0,0|3,0,1]=4 151 B7R1.2 N[C@H]1COC(=O)C1 MCULE-6406960509 [0,0,0,0,0,0|3,0,1]=4 152 B7R1.2 O=C1C=C(CC1)Br MCULE-8421005141 [0,0,0,0,0,0|2,0,0]=2 153 B7R1.2 O=C1C=C(CC1)Cl MCULE-4481059890 [0,0,0,0,0,0|2,0,0]=2 154 B7R1.2 O=C1C=C(CC1)I MCULE-9887353763 [0,0,0,0,0,0|2,0,0]=2 155 B7R1.2 O=C1C=C(CC1)O MCULE-4815747510 [0,0,0,0,0,0|1,0,1]=2 156 B7R1.2 O=C1C=C(CN1)Br MCULE-7250904402 [0,0,0,0,0,0|3,0,0]=3 157 B7R1.2 O=C1C=C(CN1)O MCULE-4305405716 [0,0,0,0,0,0|2,0,1]=3 158 B7R1.2 O=C1C=C(CO1)Br MCULE-8883097432 [0,0,0,0,0,0|3,0,0]=3 159 B7R1.2 O=C1C=C(CO1)O MCULE-5095558101 [0,0,0,0,0,0|2,0,1]=3 160 B7R1.2 O=C1C=C(SN1)Cl MCULE-6118293142 [0,0,0,0,0,0|4,0,0]=4 161 B7R1.2 O=C1C=CC(=O)C1 MCULE-7662591278 [0,0,0,0,0,0|1,0,2]=3 162 B7R1.2 O=C1C=CC(=O)N1 MCULE-3677915339 [0,0,0,0,0,0|0,0,2]=2 163 B7R1.2 O=C1C=CC(=O)O1 MCULE-5322674641 [0,0,0,0,0,0|1,0,2]=3 164 B7R1.2 O=C1CC(=CO1)O MCULE-3691688750 [0,0,0,0,0,0|2,0,2]=4 165 B7R1.2 O=C1CC(=O)NN1 MCULE-4591056937 [0,0,0,0,0,0|3,0,0]=3 166 B7R1.2 O=C1CC(CN1)O MCULE-8498039777 [0,0,0,0,0,0|2,0,2]=4 167 B7R1.2 O=C1CC(CN1)S MCULE-3257609096 [0,0,0,0,0,0|2,1,1]=4 168 B7R1.2 O=C1CC(CO1)O MCULE-3779919332 [0,0,0,0,0,0|2,0,2]=4 169 B7R1.2 O=C1CC(CO1)O MCULE-5609071664 [0,0,0,0,0,0|2,0,2]=4 170 B7R1.2 O=C1CCC(=O)C1 MCULE-6436831689 [0,0,0,0,0,0|1,0,0]=1 171 B7R1.2 O=C1CCC(=O)N1 MCULE-8278049979 [0,0,0,0,0,0|0,0,0]=0 172 B7R1.2 O=C1CCC(=O)O1 MCULE-1458819618 [0,0,0,0,0,0|1,0,0]=1 173 B7R1.2 O=C1CCC(C1)F MCULE-9585894610 [0,0,0,0,0,0|2,0,1]=3 174 B7R1.2 O=C1CCC(C1)I MCULE-5558007377 [0,0,0,0,0,0|2,0,1]=3 175 B7R1.2 O=C1CCC(C1)O MCULE-8500536547 [0,0,0,0,0,0|1,0,2]=3 176 B7R1.2 O=C1CCC(N1)O MCULE-1790956080 [0,0,0,0,0,0|0,0,2]=2 177 B7R1.2 O=C1CCC(O1)F MCULE-6874239017 [0,0,0,0,0,0|2,0,1]=3 178 B7R1.2 O=C1CCC(O1)O MCULE-5296344468 [0,0,0,0,0,0|1,0,2]=3 179 B7R1.2 O=C1CNC(=O)C1 MCULE-6981924013 [0,0,0,0,0,0|2,0,0]=2 180 B7R1.2 O=C1CNC(=O)N1 MCULE-6812812243 [0,0,0,0,0,0|1,0,0]=1 181 B7R1.2 O=C1CNC(=O)O1 MCULE-7702120642 [0,0,0,0,0,0|2,0,0]=2 182 B7R1.2 O=C1CNC(=O)S1 MCULE-5050685903 [0,0,0,0,0,0|2,0,0]=2 183 B7R1.2 O=C1CNC(=S)N1 MCULE-3766479597 [0,0,0,0,0,0|1,1,0]=2 184 B7R1.2 O=C1CNC(=S)S1 MCULE-4359186239 [0,0,0,0,0,0|2,1,0]=3 185 B7R1.2 O=C1CNC(S1)S MCULE-9237115672 [0,0,0,0,0,0|2,1,1]=4 186 B7R1.2 O=C1COC(=O)C1 MCULE-3258090872 [0,0,0,0,0,0|2,0,0]=2 187 B7R1.2 O=C1COC(=O)N1 MCULE-3103815953 [0,0,0,0,0,0|1,0,0]=1 188 B7R1.2 O=C1COC(=O)[N-]1 MCULE-2786348217 [0,0,0,0,0,0|1,0,1]=2 189 B7R1.2 O=C1CSC(=O)N1 MCULE-8206580994 [0,0,0,0,0,0|1,0,0]=1 190 B7R1.2 O=C1CSC(=S)N1 MCULE-8840169234 [0,0,0,0,0,0|1,1,0]=2 191 B7R1.2 O=C1C[C@@H](CN1)O MCULE-2016792324 [0,0,0,0,0,0|2,0,2]=4 192 B7R1.2 O=C1C[C@@H](CN1)O MCULE-9756194758 [0,0,0,0,0,0|2,0,2]=4 193 B7R1.2 O=C1C[C@@H](CO1)O MCULE-1467506377 [0,0,0,0,0,0|2,0,2]=4 194 B7R1.2 O=C1C[C@@H](CO1)O MCULE-3668466479 [0,0,0,0,0,0|2,0,2]=4 195 B7R1.2 O=C1C[C@H](CN1)O MCULE-2017150152 [0,0,0,0,0,0|2,0,2]=4 196 B7R1.2 O=C1C[C@H](CN1)O MCULE-5168961542 [0,0,0,0,0,0|2,0,2]=4 197 B7R1.2 O=C1C[C@H](CN1)S MCULE-6980612759 [0,0,0,0,0,0|2,1,1]=4 198 B7R1.2 O=C1C[C@H](CN1)S MCULE-7205538285 [0,0,0,0,0,0|2,1,1]=4 199 B7R1.2 O=C1C[C@H](CO1)O MCULE-5756899897 [0,0,0,0,0,0|2,0,2]=4 200 B7R1.2 O=C1C[C@H](CO1)O MCULE-6247095672 [0,0,0,0,0,0|2,0,2]=4 201 B7R1.2 O=C1N=C(NN1)S MCULE-4550378114 [0,0,0,0,0,0|2,1,1]=4 202 B7R1.2 O=C1NC(=CS1)O MCULE-2237666080 [0,0,0,0,0,0|1,0,2]=3 203 B7R1.2 O=C1NC(=S)CS1 MCULE-8601205978 [0,0,0,0,0,0|1,1,0]=2 204 B7R1.2 O=C1NC=C(S1)Cl MCULE-7571560638 [0,0,0,0,0,0|3,0,1]=4 205 B7R1.2 O=C1NCC(=S)N1 MCULE-9753398150 [0,0,0,0,0,0|1,1,0]=2 206 B7R1.2 O=C1NN=C(N1)Br MCULE-1124720587 [0,0,0,0,0,0|3,0,0]=3 207 B7R1.2 O=C1NN=C(N1)Cl MCULE-5593292847 [0,0,0,0,0,0|3,0,0]=3 208 B7R1.2 O=C1NN=C(S1)Cl MCULE-9941660941 [0,0,0,0,0,0|4,0,0]=4 209 B7R1.2 O=C1NNC(=O)N1 MCULE-5611157961 [0,0,0,0,0,0|2,0,0]=2 210 B7R1.2 O=C1NOC(=O)N1 MCULE-5599103299 [0,0,0,0,0,0|2,0,0]=2 211 B7R1.2 O=C1OCC(O1)Cl MCULE-4046020713 [0,0,0,0,0,0|3,0,1]=4 212 B7R1.2 O=C1OCC(O1)F MCULE-7198712298 [0,0,0,0,0,0|3,0,1]=4 213 B7R1.2 S=C1CCC(=S)N1 MCULE-1793012495 [0,0,0,0,0,0|0,2,0]=2 214 B7R1.2 [C@H]1(CCC(=O)C1)C MCULE-3827565169 [0,0,0,0,0,0|2,0,1]=3 215 B7R1.2 [O-]C1=CSC(=S)N1 MCULE-7540492613 [0,0,0,0,0,0|1,1,2]=4 216 B6R1.2 BrC1=CC=CN1 MCULE-5264580992 [1,0,0,0,0,0|1,0,2]=4 217 B6R1.2 BrC1=CCCC1 MCULE-1008379150 [1,0,0,0,0,0|2,0,1]=4 218 B6R1.2 BrC1=COCC1 MCULE-8057569313 [1,0,0,0,0,0|3,0,0]=4 219 B6R1.2 BrC1=NC=CN1 MCULE-6985395799 [1,0,0,0,0,0|2,0,1]=4 220 B6R1.2 BrC1=NC=CN1 MCULE-8632789036 [1,0,0,0,0,0|2,0,1]=4 221 B6R1.2 BrC1=NN=CN1 MCULE-7469880141 [1,0,0,0,0,0|3,0,0]=4 222 B6R1.2 C=C1CCCC1 MCULE-4115373196 [1,0,0,0,0,0|2,0,1]=4 223 B6R1.2 C=C1CCNC1 MCULE-7982953073 [1,0,0,0,0,0|3,0,0]=4 224 B6R1.2 C=C1CCNC1 MCULE-8428731599 [1,0,0,0,0,0|3,0,0]=4 225 B6R1.2 C=C1CCSC1 MCULE-7042571473 [1,0,0,0,0,0|3,0,0]=4 226 B6R1.2 CC1=CC=CC1 MCULE-3765599626 [1,0,0,0,0,0|2,0,1]=4 227 B6R1.2 CC1=CC=CN1 MCULE-7608248575 [1,0,0,0,0,0|1,0,2]=4 228 B6R1.2 CC1=CCCC1 MCULE-8508688474 [1,0,0,0,0,0|2,0,1]=4 229 B6R1.2 CC1=NC=CN1 MCULE-4484196639 [1,0,0,0,0,0|2,0,1]=4 230 B6R1.2 CC1=NCCC1 MCULE-5009170423 [1,0,0,0,0,0|1,0,2]=4 231 B6R1.2 CC1=NCCN1 MCULE-4787238872 [1,0,0,0,0,0|2,0,1]=4 232 B6R1.2 CC1=NN=CN1 MCULE-4297826922 [1,0,0,0,0,0|3,0,0]=4 233 B6R1.2 CC1=NNCC1 MCULE-1758510182 [1,0,0,0,0,0|2,0,1]=4 234 B6R1.2 CC1C=CCC1 MCULE-1638534048 [1,0,0,0,0,0|2,0,1]=4 235 B6R1.2 CC1CCCN1 MCULE-4853624560 [1,0,0,0,0,0|1,0,2]=4 236 B6R1.2 CC1CCCN1 MCULE-5939948024 [1,0,0,0,0,0|1,0,2]=4 237 B6R1.2 CC1CCCN1 MCULE-6020011445 [1,0,0,0,0,0|1,0,2]=4 238 B6R1.2 CC1CCCN1 MCULE-7855346849 [1,0,0,0,0,0|1,0,2]=4 239 B6R1.2 C[C@@H]1CCCN1 MCULE-1038329474 [1,0,0,0,0,0|1,0,2]=4 240 B6R1.2 C[C@@H]1CCCN1 MCULE-1829999308 [1,0,0,0,0,0|1,0,2]=4 241 B6R1.2 C[C@@H]1CCCN1 MCULE-8644278041 [1,0,0,0,0,0|1,0,2]=4 242 B6R1.2 C[C@@H]1CCCN1 MCULE-9243990647 [1,0,0,0,0,0|1,0,2]=4 243 B6R1.2 C[C@H]1CCCN1 MCULE-2078024663 [1,0,0,0,0,0|1,0,2]=4 244 B6R1.2 C[C@H]1CCCN1 MCULE-3113877345 [1,0,0,0,0,0|1,0,2]=4 245 B6R1.2 C[C@H]1CCCN1 MCULE-3426869473 [1,0,0,0,0,0|1,0,2]=4 246 B6R1.2 C[C@H]1CCCN1 MCULE-5093266679 [1,0,0,0,0,0|1,0,2]=4 247 B6R1.2 ClC1=CCCC1 MCULE-7680993065 [1,0,0,0,0,0|2,0,1]=4 248 B6R1.2 ClC1=NC=CN1 MCULE-6072122645 [1,0,0,0,0,0|2,0,1]=4 249 B6R1.2 ClC1=NCCN1 MCULE-2043711677 [1,0,0,0,0,0|2,0,1]=4 250 B6R1.2 ClC1=NCCN1 MCULE-2296476673 [1,0,0,0,0,0|2,0,1]=4 251 B6R1.2 FC1=CN=CN1 MCULE-9951835141 [1,0,0,0,0,0|2,0,1]=4 252 B6R1.2 FC1=NC=CN1 MCULE-1860701993 [1,0,0,0,0,0|2,0,1]=4 253 B6R1.2 FC1=NC=CN1 MCULE-5026249596 [1,0,0,0,0,0|2,0,1]=4 254 B6R1.2 F[C@H]1CCCN1 MCULE-8612757365 [1,0,0,0,0,0|1,0,2]=4 255 B6R1.2 IC1=CCCC1 MCULE-5953451970 [1,0,0,0,0,0|2,0,1]=4 256 B6R1.2 IC1=COCC1 MCULE-3076361502 [1,0,0,0,0,0|3,0,0]=4 257 B6R1.2 IC1=NC=CN1 MCULE-1690537323 [1,0,0,0,0,0|2,0,1]=4 258 B6R1.2 N=C1CCCS1 MCULE-4228855265 [1,0,0,0,0,0|2,0,1]=4 259 B6R1.2 N=C1CCCS1 MCULE-7496124035 [1,0,0,0,0,0|2,0,1]=4 260 B6R1.2 N=C1NCCN1 MCULE-4983030911 [1,0,0,0,0,0|2,0,1]=4 261 B6R1.2 NC1=CC=CN1 MCULE-5653620818 [1,0,0,0,0,0|1,0,2]=4 262 B6R1.2 NC1=CC=CN1 MCULE-9753432085 [1,0,0,0,0,0|1,0,2]=4 263 B6R1.2 NC1=CCNN1 MCULE-1539779543 [1,0,0,0,0,0|2,0,1]=4 264 B6R1.2 NC1=CCNN1 MCULE-3460056890 [1,0,0,0,0,0|2,0,1]=4 265 B6R1.2 NC1=CCNN1 MCULE-5423983278 [1,0,0,0,0,0|2,0,1]=4 266 B6R1.2 NC1=CN=CN1 MCULE-3029255616 [1,0,0,0,0,0|2,0,1]=4 267 B6R1.2 NC1=CN=CN1 MCULE-8873453977 [1,0,0,0,0,0|2,0,1]=4 268 B6R1.2 NC1=CN=CN1 MCULE-9206811415 [1,0,0,0,0,0|2,0,1]=4 269 B6R1.2 NC1=NC=CN1 MCULE-4937045321 [1,0,0,0,0,0|2,0,1]=4 270 B6R1.2 NC1=NC=CN1 MCULE-6371804569 [1,0,0,0,0,0|2,0,1]=4 271 B6R1.2 NC1=NC=CN1 MCULE-7485953374 [1,0,0,0,0,0|2,0,1]=4 272 B6R1.2 NC1=NC=CN1 MCULE-9607974759 [1,0,0,0,0,0|2,0,1]=4 273 B6R1.2 NC1=NCCC1 MCULE-6089369366 [1,0,0,0,0,0|1,0,2]=4 274 B6R1.2 NC1=NCCC1 MCULE-8979618464 [1,0,0,0,0,0|1,0,2]=4 275 B6R1.2 NC1=NCCN1 MCULE-1788173657 [1,0,0,0,0,0|2,0,1]=4 276 B6R1.2 NC1=NCCN1 MCULE-9804694628 [1,0,0,0,0,0|2,0,1]=4 277 B6R1.2 NC1=NNCC1 MCULE-4665265929 [1,0,0,0,0,0|2,0,1]=4 278 B6R1.2 NC1=NOCC1 MCULE-4971355735 [1,0,0,0,0,0|2,0,1]=4 279 B6R1.2 NC1C=CCC1 MCULE-2537724380 [1,0,0,0,0,0|2,0,1]=4 280 B6R1.2 NC1C=CCC1 MCULE-5017993489 [1,0,0,0,0,0|2,0,1]=4 281 B6R1.2 O=C1C=CCC1 MCULE-1844779047 [1,0,0,0,0,0|1,0,0]=2 282 B6R1.2 O=C1C=CCN1 MCULE-4338701003 [1,0,0,0,0,0|2,0,0]=3 283 B6R1.2 O=C1C=CCO1 MCULE-4296503663 [1,0,0,0,0,0|2,0,0]=3 284 B6R1.2 O=C1C=CCS1 MCULE-5623095583 [1,0,0,0,0,0|2,0,0]=3 285 B6R1.2 O=C1C=CNN1 MCULE-8045056316 [1,0,0,0,0,0|1,0,2]=4 286 B6R1.2 O=C1C=CSC1 MCULE-6580304664 [1,0,0,0,0,0|2,0,0]=3 287 B6R1.2 O=C1C=CSN1 MCULE-6820517860 [1,0,0,0,0,0|1,0,2]=4 288 B6R1.2 O=C1CC=CC1 MCULE-7606670114 [1,0,0,0,0,0|1,0,1]=3 289 B6R1.2 O=C1CC=NN1 MCULE-1672455504 [1,0,0,0,0,0|1,0,1]=3 290 B6R1.2 O=C1CCCC1 MCULE-9455227735 [1,0,0,0,0,0|1,0,1]=3 291 B6R1.2 O=C1CCCN1 MCULE-3061780794 [1,0,0,0,0,0|0,0,1]=2 292 B6R1.2 O=C1CCCO1 MCULE-6795890265 [1,0,0,0,0,0|1,0,1]=3 293 B6R1.2 O=C1CCCS1 MCULE-5361654550 [1,0,0,0,0,0|1,0,1]=3 294 B6R1.2 O=C1CCNC1 MCULE-2947789259 [1,0,0,0,0,0|2,0,0]=3 295 B6R1.2 O=C1CCNC1 MCULE-7192595052 [1,0,0,0,0,0|2,0,0]=3 296 B6R1.2 O=C1CCNN1 MCULE-7030953666 [1,0,0,0,0,0|1,0,0]=2 297 B6R1.2 O=C1CCOC1 MCULE-2031733910 [1,0,0,0,0,0|2,0,0]=3 298 B6R1.2 O=C1CCON1 MCULE-6799359324 [1,0,0,0,0,0|1,0,0]=2 299 B6R1.2 O=C1CCSC1 MCULE-2059655624 [1,0,0,0,0,0|2,0,0]=3 300 B6R1.2 O=C1CC[NH2+]N1 MCULE-5327505055 [1,0,0,0,0,0|1,0,0]=2 301 B6R1.2 O=C1CNCN1 MCULE-2645891847 [1,0,0,0,0,0|1,0,1]=3 302 B6R1.2 O=C1CNCN1 MCULE-9269137129 [1,0,0,0,0,0|1,0,1]=3 303 B6R1.2 O=C1CSCN1 MCULE-3946660854 [1,0,0,0,0,0|1,0,1]=3 304 B6R1.2 O=C1N=CN=N1 MCULE-3721166402 [1,0,0,0,0,0|2,0,1]=4 305 B6R1.2 O=C1NC=CN1 MCULE-6249170076 [1,0,0,0,0,0|1,0,1]=3 306 B6R1.2 O=C1NC=CO1 MCULE-4371023805 [1,0,0,0,0,0|1,0,1]=3 307 B6R1.2 O=C1NC=CS1 MCULE-2039347995 [1,0,0,0,0,0|1,0,1]=3 308 B6R1.2 O=C1NC=NN1 MCULE-8685001700 [1,0,0,0,0,0|2,0,0]=3 309 B6R1.2 O=C1NCCN1 MCULE-9806791551 [1,0,0,0,0,0|1,0,1]=3 310 B6R1.2 O=C1NCCO1 MCULE-3934923008 [1,0,0,0,0,0|1,0,1]=3 311 B6R1.2 O=C1NCCS1 MCULE-6732478086 [1,0,0,0,0,0|1,0,1]=3 312 B6R1.2 O=C1NN=NN1 MCULE-2843823671 [1,0,0,0,0,0|3,0,0]=4 313 B6R1.2 O=C1OC=CO1 MCULE-1924277704 [1,0,0,0,0,0|2,0,1]=4 314 B6R1.2 O=C1OCCO1 MCULE-9493253045 [1,0,0,0,0,0|2,0,1]=4 315 B6R1.2 O=S1CCCC1 MCULE-2442126780 [1,0,0,0,0,0|2,0,1]=4 316 B6R1.2 OC1C=CCC1 MCULE-3857764876 [1,0,0,0,0,0|1,0,2]=4 317 B6R1.2 OC1CCCN1 MCULE-4787168972 [1,0,0,0,0,0|0,0,3]=4 318 B6R1.2 S=C1CCCN1 MCULE-1089290822 [1,0,0,0,0,0|0,1,1]=3 319 B6R1.2 S=C1NC=CO1 MCULE-6706918798 [1,0,0,0,0,0|1,1,1]=4 320 B6R1.2 S=C1NCCN1 MCULE-3300710815 [1,0,0,0,0,0|1,1,1]=4 321 B6R1.2 SC1=NC=CN1 MCULE-1550904171 [1,0,0,0,0,0|1,1,1]=4 322 B6R1.2 SC1=NN=CN1 MCULE-5875245990 [1,0,0,0,0,0|2,1,0]=4 323 B6R1.2 [TlH2]C1=CC=CC1 MCULE-7402896981 [1,0,0,0,0,0|2,0,1]=4 324 B8R1.1 C#CC1COC(=O)N1 MCULE-7019791209 [0,1,0,0,0,0|2,0,1]=4 325 B8R1.1 C#C[C@@H]1COC(=O)N1 MCULE-3103635703 [0,1,0,0,0,0|2,0,1]=4 326 B8R1.1 C#C[C@@H]1COC(=O)N1 MCULE-7796064143 [0,1,0,0,0,0|2,0,1]=4 327 B8R1.1 C#C[C@H]1COC(=O)N1 MCULE-4375742729 [0,1,0,0,0,0|2,0,1]=4 328 B8R1.1 C#C[C@H]1COC(=O)N1 MCULE-5542662617 [0,1,0,0,0,0|2,0,1]=4 329 B8R1.1 C1(CCC(=O)N1)CBr MCULE-4451864575 [0,1,0,0,0,0|1,0,1]=3 330 B8R1.1 C1(CCC(=O)N1)CN MCULE-3169700074 [0,1,0,0,0,0|1,0,1]=3 331 B8R1.1 C1(CCC(=O)N1)CO MCULE-8513534447 [0,1,0,0,0,0|0,0,2]=3 332 B8R1.1 C=CC1CCC(=O)N1 MCULE-7994900822 [0,1,0,0,0,0|1,0,1]=3 333 B8R1.1 C=C[C@@H]1COC(=O)N1 MCULE-1532767336 [0,1,0,0,0,0|2,0,1]=4 334 B8R1.1 C=C[C@@H]1COC(=O)N1 MCULE-3932839401 [0,1,0,0,0,0|2,0,1]=4 335 B8R1.1 C=C[C@H]1COC(=O)N1 MCULE-3492854139 [0,1,0,0,0,0|2,0,1]=4 336 B8R1.1 C=C[C@H]1COC(=O)N1 MCULE-9796474747 [0,1,0,0,0,0|2,0,1]=4 337 B8R1.1 CC1=CC=C(N1)C=O MCULE-5354578462 [0,1,0,0,0,0|1,0,2]=4 338 B8R1.1 CC1=NN=C(N1)C=O MCULE-9873963685 [0,1,0,0,0,0|3,0,0]=4 339 B8R1.1 CCC1=CC(=O)CC1 MCULE-6681801286 [0,1,0,0,0,0|2,0,0]=3 340 B8R1.1 CCC1=CSC(=O)N1 MCULE-5077264383 [0,1,0,0,0,0|2,0,1]=4 341 B8R1.1 CCC1CCC(=O)C1 MCULE-8455504217 [0,1,0,0,0,0|2,0,1]=4 342 B8R1.1 CCC1CCC(=O)N1 MCULE-6150249637 [0,1,0,0,0,0|1,0,1]=3 343 B8R1.1 CCC1CCC(=O)O1 MCULE-5161861312 [0,1,0,0,0,0|2,0,1]=4 344 B8R1.1 CCC1COC(=O)N1 MCULE-4345668230 [0,1,0,0,0,0|2,0,1]=4 345 B8R1.1 CCN1CCC(=O)C1 MCULE-5806094458 [0,1,0,0,0,0|3,0,0]=4 346 B8R1.1 CC[C@@H]1CCC(=O)C1 MCULE-7687801028 [0,1,0,0,0,0|2,0,1]=4 347 B8R1.1 CC[C@@H]1CCC(=O)O1 MCULE-9831904901 [0,1,0,0,0,0|2,0,1]=4 348 B8R1.1 CC[C@H]1CCC(=O)C1 MCULE-6479003670 [0,1,0,0,0,0|2,0,1]=4 349 B8R1.1 CC[C@H]1COC(=O)N1 MCULE-2443615902 [0,1,0,0,0,0|2,0,1]=4 350 B8R1.1 CC[C@H]1COC(=O)N1 MCULE-9191549724 [0,1,0,0,0,0|2,0,1]=4 351 B8R1.1 CNC1=NC(=O)CS1 MCULE-8138376147 [0,1,0,0,0,0|2,0,1]=4 352 B8R1.1 COC1=CC(=O)CC1 MCULE-7963656232 [0,1,0,0,0,0|1,0,1]=3 353 B8R1.1 COC1=CC(=O)NC1 MCULE-1983848021 [0,1,0,0,0,0|2,0,1]=4 354 B8R1.1 COC1=CC(=O)OC1 MCULE-9199919492 [0,1,0,0,0,0|2,0,1]=4 355 B8R1.1 COC1CCC(=O)C1 MCULE-3259977239 [0,1,0,0,0,0|1,0,2]=4 356 B8R1.1 COC1CCC(=O)N1 MCULE-9661875090 [0,1,0,0,0,0|0,0,2]=3 357 B8R1.1 CSC1=NC(=O)CN1 MCULE-2550909457 [0,1,0,0,0,0|1,1,1]=4 358 B8R1.1 CSC1=NC(=O)CS1 MCULE-8345887508 [0,1,0,0,0,0|1,1,1]=4 359 B8R1.1 N#CC1CCC(=O)C1 MCULE-3783981366 [0,1,0,0,0,0|2,0,1]=4 360 B8R1.1 N#C[C@@H]1CCC(=O)C1 MCULE-1506687355 [0,1,0,0,0,0|2,0,1]=4 361 B8R1.1 N#C[C@H]1CCC(=O)C1 MCULE-3791390646 [0,1,0,0,0,0|2,0,1]=4 362 B8R1.1 NCC1=CNC(=O)N1 MCULE-3321939925 [0,1,0,0,0,0|2,0,1]=4 363 B8R1.1 NCC1=CNC(=O)N1 MCULE-3888589701 [0,1,0,0,0,0|2,0,1]=4 364 B8R1.1 NCC1CCC(=O)N1 MCULE-2195138544 [0,1,0,0,0,0|1,0,1]=3 365 B8R1.1 NCC1CCC(=O)N1 MCULE-5064964559 [0,1,0,0,0,0|1,0,1]=3 366 B8R1.1 NCC1CCC(=O)N1 MCULE-9686422256 [0,1,0,0,0,0|1,0,1]=3 367 B8R1.1 NCC1CCC(=O)N1 MCULE-9973113927 [0,1,0,0,0,0|1,0,1]=3 368 B8R1.1 NCC1CCC(=O)O1 MCULE-5413792723 [0,1,0,0,0,0|2,0,1]=4 369 B8R1.1 NCC1CCC(=O)O1 MCULE-8312895206 [0,1,0,0,0,0|2,0,1]=4 370 B8R1.1 NCC1COC(=O)N1 MCULE-8454292565 [0,1,0,0,0,0|2,0,1]=4 371 B8R1.1 NCC1COC(=O)N1 MCULE-9068275563 [0,1,0,0,0,0|2,0,1]=4 372 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-5772277021 [0,1,0,0,0,0|1,0,1]=3 373 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-6147061481 [0,1,0,0,0,0|1,0,1]=3 374 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-7644508115 [0,1,0,0,0,0|1,0,1]=3 375 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-7782108755 [0,1,0,0,0,0|1,0,1]=3 376 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-1485902199 [0,1,0,0,0,0|1,0,1]=3 377 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-1751255260 [0,1,0,0,0,0|1,0,1]=3 378 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-3641870628 [0,1,0,0,0,0|1,0,1]=3 379 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-9839264859 [0,1,0,0,0,0|1,0,1]=3 380 B8R1.1 NC[C@H]1COC(=O)N1 MCULE-1988909942 [0,1,0,0,0,0|2,0,1]=4 381 B8R1.1 NC[C@H]1COC(=O)N1 MCULE-9340310155 [0,1,0,0,0,0|2,0,1]=4 382 B8R1.1 NNC1=NCC(=O)N1 MCULE-1430423645 [0,1,0,0,0,0|2,0,0]=3 383 B8R1.1 NNC1=NCC(=O)N1 MCULE-5220093727 [0,1,0,0,0,0|2,0,0]=3 384 B8R1.1 O=C1C=C(CO1)CBr MCULE-1493137482 [0,1,0,0,0,0|3,0,0]=4 385 B8R1.1 O=C1C=C(CO1)CI MCULE-7834471824 [0,1,0,0,0,0|3,0,0]=4 386 B8R1.1 O=C1C=C(CO1)CO MCULE-9263407854 [0,1,0,0,0,0|2,0,1]=4 387 B8R1.1 O=C1CCC(C1)CF MCULE-9077358027 [0,1,0,0,0,0|2,0,1]=4 388 B8R1.1 O=C1CCC(C1)CO MCULE-7524267942 [0,1,0,0,0,0|1,0,2]=4 389 B8R1.1 O=C1CCC(N1)CBr MCULE-7024022934 [0,1,0,0,0,0|1,0,1]=3 390 B8R1.1 O=C1CCC(N1)CI MCULE-6956070937 [0,1,0,0,0,0|1,0,1]=3 391 B8R1.1 O=C1CCC(N1)CO MCULE-1498000761 [0,1,0,0,0,0|0,0,2]=3 392 B8R1.1 O=C1CCC(O1)CBr MCULE-9370722806 [0,1,0,0,0,0|2,0,1]=4 393 B8R1.1 O=C1CCC(O1)CCl MCULE-3199749385 [0,1,0,0,0,0|2,0,1]=4 394 B8R1.1 O=C1CCC(O1)CI MCULE-4432096360 [0,1,0,0,0,0|2,0,1]=4 395 B8R1.1 O=C1CCC(O1)CO MCULE-3178999726 [0,1,0,0,0,0|1,0,2]=4 396 B8R1.1 O=C1CCC(O1)CO MCULE-4390773734 [0,1,0,0,0,0|1,0,2]=4 397 B8R1.1 O=C1CC[C@@H](C1)CO MCULE-2590805877 [0,1,0,0,0,0|1,0,2]=4 398 B8R1.1 O=C1CC[C@@H](C1)CO MCULE-7134607780 [0,1,0,0,0,0|1,0,2]=4 399 B8R1.1 O=C1CC[C@@H](N1)CBr MCULE-4537645558 [0,1,0,0,0,0|1,0,1]=3 400 B8R1.1 O=C1CC[C@@H](N1)CBr MCULE-6830001458 [0,1,0,0,0,0|1,0,1]=3 401 B8R1.1 O=C1CC[C@@H](N1)CO MCULE-3021506643 [0,1,0,0,0,0|0,0,2]=3 402 B8R1.1 O=C1CC[C@@H](N1)CO MCULE-3659077476 [0,1,0,0,0,0|0,0,2]=3 403 B8R1.1 O=C1CC[C@@H](O1)CO MCULE-1532290348 [0,1,0,0,0,0|1,0,2]=4 404 B8R1.1 O=C1CC[C@@H](O1)CO MCULE-3600746831 [0,1,0,0,0,0|1,0,2]=4 405 B8R1.1 O=C1CC[C@H](N1)CBr MCULE-1684731751 [0,1,0,0,0,0|1,0,1]=3 406 B8R1.1 O=C1CC[C@H](N1)CBr MCULE-4479348379 [0,1,0,0,0,0|1,0,1]=3 407 B8R1.1 O=C1CC[C@H](N1)CO MCULE-4532009930 [0,1,0,0,0,0|0,0,2]=3 408 B8R1.1 O=C1CC[C@H](N1)CO MCULE-6466848372 [0,1,0,0,0,0|0,0,2]=3 409 B8R1.1 O=C1CC[C@H](O1)CO MCULE-1675076625 [0,1,0,0,0,0|1,0,2]=4 410 B8R1.1 O=C1CC[C@H](O1)CO MCULE-6265569115 [0,1,0,0,0,0|1,0,2]=4 411 B8R1.1 O=C1CS/C(=N/O)/N1 MCULE-9299576383 [0,1,0,0,0,0|1,0,1]=3 412 B8R1.1 O=C1NC(CO1)CI MCULE-3725463438 [0,1,0,0,0,0|2,0,1]=4 413 B8R1.1 O=C1NC(CO1)CI MCULE-8271591026 [0,1,0,0,0,0|2,0,1]=4 414 B8R1.1 O=C1NC(CO1)CO MCULE-8296379772 [0,1,0,0,0,0|1,0,2]=4 415 B8R1.1 O=C1NC(CO1)CO MCULE-9797812862 [0,1,0,0,0,0|1,0,2]=4 416 B8R1.1 O=C1NN=C(N1)CCl MCULE-2655378083 [0,1,0,0,0,0|3,0,0]=4 417 B8R1.1 O=C1NN=C(N1)CS MCULE-7569672257 [0,1,0,0,0,0|2,1,0]=4 418 B8R1.1 O=C1N[C@@H](CO1)CO MCULE-2270288938 [0,1,0,0,0,0|1,0,2]=4 419 B8R1.1 O=C1N[C@@H](CO1)CO MCULE-5533745846 [0,1,0,0,0,0|1,0,2]=4 420 B8R1.1 O=C1N[C@H](CO1)CI MCULE-5817468950 [0,1,0,0,0,0|2,0,1]=4 421 B8R1.1 O=C1N[C@H](CO1)CI MCULE-6940377154 [0,1,0,0,0,0|2,0,1]=4 422 B8R1.1 O=C1N[C@H](CO1)CO MCULE-3186572246 [0,1,0,0,0,0|1,0,2]=4 423 B8R1.1 O=C1N[C@H](CO1)CO MCULE-4534112642 [0,1,0,0,0,0|1,0,2]=4 424 B8R1.1 O=CC1=CC=C(N1)Br MCULE-8928897779 [0,1,0,0,0,0|1,0,2]=4 425 B8R1.1 O=CC1=CC=C(N1)Cl MCULE-5047257153 [0,1,0,0,0,0|1,0,2]=4 426 B8R1.1 O=CC1=CC=C(N1)I MCULE-3653035152 [0,1,0,0,0,0|1,0,2]=4 427 B8R1.1 O=CC1=CN=C(N1)Br MCULE-7917892628 [0,1,0,0,0,0|2,0,1]=4 428 B8R1.1 O=CC1=CNC(=O)N1 MCULE-9682504518 [0,1,0,0,0,0|1,0,1]=3 429 B8R1.1 O=CC1=NC=C(N1)Br MCULE-7056655906 [0,1,0,0,0,0|2,0,1]=4 430 B8R1.1 O=CC1COC(=O)C1 MCULE-7312168752 [0,1,0,0,0,0|2,0,1]=4 431 B8R1.18 C=C1CC(=O)OC1=O MCULE-1819893564 [0,1,0,0,0,0|1,0,1]=3 432 B8R1.18 CC1=C(NC(=O)N1)C MCULE-1459949338 [0,1,0,0,0,0|2,0,1]=4 433 B8R1.18 CC1=C(OC(=O)N1)C MCULE-9563427028 [0,1,0,0,0,0|2,0,1]=4 434 B8R1.18 CC1=C(SC(=O)N1)C MCULE-3147831549 [0,1,0,0,0,0|2,0,1]=4 435 B8R1.18 CC1=CC(=O)C(O1)C MCULE-7165152063 [0,1,0,0,0,0|3,0,0]=4 436 B8R1.18 CC1=CC(=O)CC1C MCULE-9587444246 [0,1,0,0,0,0|2,0,0]=3 437 B8R1.18 CC1=CC(=O)NC1=O MCULE-3109096484 [0,1,0,0,0,0|0,0,2]=3 438 B8R1.18 CC1=CC(=O)OC1=O MCULE-1735822163 [0,1,0,0,0,0|1,0,2]=4 439 B8R1.18 CC1=CC(=O)OC1O MCULE-2111708862 [0,1,0,0,0,0|3,0,0]=4 440 B8R1.18 CC1=CC(=O)O[C@@H]1O MCULE-3894053073 [0,1,0,0,0,0|3,0,0]=4 441 B8R1.18 CC1=CN(C(=O)N1)C MCULE-6864157223 [0,1,0,0,0,0|2,0,1]=4 442 B8R1.18 CC1CC(=O)CN1C MCULE-3142275674 [0,1,0,0,0,0|3,0,0]=4 443 B8R1.18 CC1CC(=O)NC1=O MCULE-2962850802 [0,1,0,0,0,0|0,0,0]=1 444 B8R1.18 CC1CC(=O)OC1=O MCULE-6043315810 [0,1,0,0,0,0|1,0,0]=2 445 B8R1.18 CC1CC(=O)OC1C MCULE-3906254123 [0,1,0,0,0,0|2,0,1]=4 446 B8R1.18 CC1CC(=O)OC1O MCULE-7140241012 [0,1,0,0,0,0|1,0,2]=4 447 B8R1.18 CC1CC(C(=O)O1)Br MCULE-3628819780 [0,1,0,0,0,0|2,0,1]=4 448 B8R1.18 CC1CC(C(=O)O1)N MCULE-4414809681 [0,1,0,0,0,0|2,0,1]=4 449 B8R1.18 CC1CC(C(=O)O1)N MCULE-7247771680 [0,1,0,0,0,0|2,0,1]=4 450 B8R1.18 CC1CN(CC1=O)C MCULE-3780339739 [0,1,0,0,0,0|3,0,0]=4 451 B8R1.18 CC1NC(=O)CC1=O MCULE-3973500509 [0,1,0,0,0,0|2,0,0]=3 452 B8R1.18 CC1NC(=O)CC1O MCULE-6370955032 [0,1,0,0,0,0|1,0,1]=3 453 B8R1.18 CC1NC(=O)NC1=O MCULE-4619149186 [0,1,0,0,0,0|1,0,0]=2 454 B8R1.18 CC1NC(=O)OC1=O MCULE-5437194910 [0,1,0,0,0,0|2,0,0]=3 455 B8R1.18 CC1NC(=O)OC1=O MCULE-6711218397 [0,1,0,0,0,0|2,0,0]=3 456 B8R1.18 CC1NC(=O)OC1C MCULE-5204749893 [0,1,0,0,0,0|2,0,1]=4 457 B8R1.18 CC1NC(=S)NC1=O MCULE-8518769044 [0,1,0,0,0,0|1,1,0]=3 458 B8R1.18 CC1OC(=O)C=C1O MCULE-1494473960 [0,1,0,0,0,0|2,0,1]=4 459 B8R1.18 CC1OC(=O)NC1=O MCULE-8191598152 [0,1,0,0,0,0|1,0,0]=2 460 B8R1.18 CC1SC(=NC1=O)N MCULE-7605573631 [0,1,0,0,0,0|2,0,1]=4 461 B8R1.18 CC1SC(=O)NC1=O MCULE-9249450232 [0,1,0,0,0,0|1,0,0]=2 462 B8R1.18 CN1CC(=O)CC1=O MCULE-9941627549 [0,1,0,0,0,0|2,0,0]=3 463 B8R1.18 CN1CC(=O)N=C1N MCULE-2231869894 [0,1,0,0,0,0|2,0,1]=4 464 B8R1.18 CN1CC(=O)NC1=N MCULE-7608108871 [0,1,0,0,0,0|2,0,0]=3 465 B8R1.18 CN1CC(=O)NC1=N MCULE-8832153777 [0,1,0,0,0,0|2,0,0]=3 466 B8R1.18 CN1CC(=O)NC1=O MCULE-6246850639 [0,1,0,0,0,0|1,0,0]=2 467 B8R1.18 CN1CC(=O)NC1=S MCULE-6474760923 [0,1,0,0,0,0|1,1,0]=3 468 B8R1.18 CN1CC(=O)OC1=O MCULE-7537862268 [0,1,0,0,0,0|2,0,0]=3 469 B8R1.18 CN1N=C(NC1=O)Cl MCULE-4149690737 [0,1,0,0,0,0|3,0,0]=4 470 B8R1.18 C[C@@H]1CC(=O)NC1=O MCULE-9043552998 [0,1,0,0,0,0|0,0,0]=1 471 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O MCULE-5647492108 [0,1,0,0,0,0|1,0,1]=3 472 B8R1.18 C[C@@H]1NC(=O)NC1=O MCULE-1126054848 [0,1,0,0,0,0|1,0,0]=2 473 B8R1.18 C[C@@H]1NC(=O)OC1=O MCULE-3338806314 [0,1,0,0,0,0|2,0,0]=3 474 B8R1.18 C[C@@H]1NC(=O)OC1=O MCULE-9892061668 [0,1,0,0,0,0|2,0,0]=3 475 B8R1.18 C[C@H]1CC(=O)OC1=O MCULE-7764909201 [0,1,0,0,0,0|1,0,0]=2 476 B8R1.18 C[C@H]1CC(=O)O[C@H]1C MCULE-7756599719 [0,1,0,0,0,0|2,0,1]=4 477 B8R1.18 C[C@H]1NC(=O)NC1=O MCULE-5443325319 [0,1,0,0,0,0|1,0,0]=2 478 B8R1.18 C[C@H]1NC(=O)OC1=O MCULE-2658468572 [0,1,0,0,0,0|2,0,0]=3 479 B8R1.18 C[C@H]1NC(=O)OC1=O MCULE-9205776561 [0,1,0,0,0,0|2,0,0]=3 480 B8R1.18 NC1CC(=O)NC1=O MCULE-6692452440 [0,1,0,0,0,0|0,0,0]=1 481 B8R1.18 NC1CC(=O)NC1=O MCULE-8447671567 [0,1,0,0,0,0|0,0,0]=1 482 B8R1.18 NC1CC(=O)OC1=O MCULE-1406790351 [0,1,0,0,0,0|1,0,0]=2 483 B8R1.18 NC1CC(=O)OC1=O MCULE-2807590870 [0,1,0,0,0,0|1,0,0]=2 484 B8R1.18 NC1SC(=O)NC1=O MCULE-8460816262 [0,1,0,0,0,0|1,0,0]=2 485 B8R1.18 NN1CC(=O)NC1=O MCULE-6319474334 [0,1,0,0,0,0|1,0,0]=2 486 B8R1.18 NN1CC(=O)NC1=O MCULE-7370713803 [0,1,0,0,0,0|1,0,0]=2 487 B8R1.18 N[C@@H]1CC(=O)NC1=O MCULE-1292090753 [0,1,0,0,0,0|0,0,0]=1 488 B8R1.18 N[C@@H]1CC(=O)NC1=O MCULE-9676397018 [0,1,0,0,0,0|0,0,0]=1 489 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-1937927503 [0,1,0,0,0,0|1,0,0]=2 490 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-2080587685 [0,1,0,0,0,0|1,0,0]=2 491 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-8793349665 [0,1,0,0,0,0|1,0,0]=2 492 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-9640337170 [0,1,0,0,0,0|1,0,0]=2 493 B8R1.18 N[C@H]1CC(=O)NC1=O MCULE-1052396743 [0,1,0,0,0,0|0,0,0]=1 494 B8R1.18 N[C@H]1CC(=O)NC1=O MCULE-1965803095 [0,1,0,0,0,0|0,0,0]=1 495 B8R1.18 N[C@H]1CC(=O)OC1=O MCULE-3191926438 [0,1,0,0,0,0|1,0,0]=2 496 B8R1.18 N[C@H]1CC(=O)OC1=O MCULE-4503342222 [0,1,0,0,0,0|1,0,0]=2 497 B8R1.18 O=C1C=C(C(=O)N1)Br MCULE-6173415556 [0,1,0,0,0,0|0,0,2]=3 498 B8R1.18 O=C1C=C(C(=O)O1)Br MCULE-2984870530 [0,1,0,0,0,0|1,0,2]=4 499 B8R1.18 O=C1C=C(C(N1)O)Br MCULE-4783191833 [0,1,0,0,0,0|3,0,0]=4 500 B8R1.18 O=C1C=C(C(O1)O)Cl MCULE-9764142144 [0,1,0,0,0,0|3,0,0]=4 501 B8R1.18 O=C1CC(=C(O1)Br)O MCULE-8632709834 [0,1,0,0,0,0|2,0,1]=4 502 B8R1.18 O=C1N=C(NC1=O)S MCULE-9704398967 [0,1,0,0,0,0|1,1,1]=4 503 B8R1.18 O=C1NC(=O)C(=O)N1 MCULE-1683872231 [0,1,0,0,0,0|1,0,1]=3 504 B8R1.18 O=C1NC(=O)C(N1)Br MCULE-9177153028 [0,1,0,0,0,0|1,0,0]=2 505 B8R1.18 O=C1NC(=O)C(S1)Br MCULE-7635505691 [0,1,0,0,0,0|1,0,0]=2 506 B8R1.18 O=C1NC(C(N1)O)O MCULE-4925329931 [0,1,0,0,0,0|1,0,2]=4 507 B8R1.50 CC1=C(C(=O)CC1)Br MCULE-4093496442 [0,1,0,0,0,0|2,0,0]=3 508 B8R1.50 CC1=C(C(=O)CC1)C MCULE-6370073595 [0,1,0,0,0,0|2,0,0]=3 509 B8R1.50 CC1=C(C(=O)CC1)O MCULE-2968247012 [0,1,0,0,0,0|2,0,0]=3 510 B8R1.50 CC1=C(C(=O)CC1)O MCULE-9147894168 [0,1,0,0,0,0|2,0,0]=3 511 B8R1.50 CC1=C(C(=O)CO1)O MCULE-9541217217 [0,1,0,0,0,0|3,0,0]=4 512 B8R1.50 CC1=C(C(=O)NC1)C MCULE-4444366984 [0,1,0,0,0,0|3,0,0]=4 513 B8R1.50 CC1=C(C(=O)OC1)O MCULE-7870847121 [0,1,0,0,0,0|3,0,0]=4 514 B8R1.50 CC1=C(C(=O)SC1)O MCULE-2081484623 [0,1,0,0,0,0|3,0,0]=4 515 B8R1.50 CC1=C(CCC1=O)O MCULE-6367252690 [0,1,0,0,0,0|1,0,1]=3 516 B8R1.50 CC1=C(COC1=O)Br MCULE-6953448957 [0,1,0,0,0,0|3,0,0]=4 517 B8R1.50 CC1=C(COC1=O)O MCULE-4822806082 [0,1,0,0,0,0|2,0,1]=4 518 B8R1.50 CC1=C(OCC1=O)O MCULE-1835077768 [0,1,0,0,0,0|2,0,1]=4 519 B8R1.50 CC1=NNC(=O)N1C MCULE-7430385178 [0,1,0,0,0,0|3,0,0]=4 520 B8R1.50 CC1C(=O)CCC1=O MCULE-4418458735 [0,1,0,0,0,0|1,0,0]=2 521 B8R1.50 CC1C(=O)CCN1C MCULE-8191851293 [0,1,0,0,0,0|3,0,0]=4 522 B8R1.50 CC1C(=O)COC1=O MCULE-4188541096 [0,1,0,0,0,0|2,0,0]=3 523 B8R1.50 CC1CCC(=O)C1=O MCULE-7649396652 [0,1,0,0,0,0|2,0,1]=4 524 B8R1.50 CC1CCC(=O)N1C MCULE-7405072604 [0,1,0,0,0,0|1,0,1]=3 525 B8R1.50 CN1C(=O)C=CC1=O MCULE-2337038549 [0,1,0,0,0,0|0,0,2]=3 526 B8R1.50 CN1C(=O)CCC1=O MCULE-6726005566 [0,1,0,0,0,0|0,0,0]=1 527 B8R1.50 CN1C(=O)CCC1O MCULE-1070053575 [0,1,0,0,0,0|0,0,2]=3 528 B8R1.50 CN1C(=O)CNC1=O MCULE-8997643894 [0,1,0,0,0,0|1,0,0]=2 529 B8R1.50 CN1C(=O)CNC1=S MCULE-6633485185 [0,1,0,0,0,0|1,1,0]=3 530 B8R1.50 CN1C(=O)COC1=O MCULE-1190604947 [0,1,0,0,0,0|1,0,0]=2 531 B8R1.50 CN1C(=O)CSC1=O MCULE-8837313577 [0,1,0,0,0,0|1,0,0]=2 532 B8R1.50 CN1C(=O)CSC1=S MCULE-8742608574 [0,1,0,0,0,0|1,1,0]=3 533 B8R1.50 CN1C(=O)N=NC1=O MCULE-3120186978 [0,1,0,0,0,0|2,0,0]=3 534 B8R1.50 CN1C(=O)NN=C1S MCULE-4115576499 [0,1,0,0,0,0|2,1,0]=4 535 B8R1.50 CN1C(=O)NNC1=O MCULE-9990504316 [0,1,0,0,0,0|2,0,0]=3 536 B8R1.50 CN1CCC(=O)C1=O MCULE-7541521172 [0,1,0,0,0,0|3,0,0]=4 537 B8R1.50 NN1C(=O)CCC1=O MCULE-4432056181 [0,1,0,0,0,0|0,0,0]=1 538 B8R1.50 NN1C(=O)CCC1=O MCULE-8224510852 [0,1,0,0,0,0|0,0,0]=1 539 B8R1.50 NN1C(=O)CNC1=O MCULE-3172416594 [0,1,0,0,0,0|1,0,0]=2 540 B8R1.50 NN1C(=O)CSC1=S MCULE-7853752310 [0,1,0,0,0,0|1,1,0]=3 541 B8R1.50 NN1C(=O)NNC1=O MCULE-6234762498 [0,1,0,0,0,0|2,0,0]=3 542 B8R1.50 O=C1C=CC(=O)N1Cl MCULE-3334700253 [0,1,0,0,0,0|0,0,2]=3 543 B8R1.50 O=C1C=CC(=O)N1O MCULE-9775072223 [0,1,0,0,0,0|0,0,2]=3 544 B8R1.50 O=C1CCC(=C1F)O MCULE-4719137849 [0,1,0,0,0,0|1,0,1]=3 545 B8R1.50 O=C1CCC(=O)C1Br MCULE-7463233898 [0,1,0,0,0,0|1,0,0]=2 546 B8R1.50 O=C1CCC(=O)C1Cl MCULE-9440848782 [0,1,0,0,0,0|1,0,0]=2 547 B8R1.50 O=C1CCC(=O)N1Br MCULE-6561724377 [0,1,0,0,0,0|0,0,0]=1 548 B8R1.50 O=C1CCC(=O)N1Cl MCULE-3093539402 [0,1,0,0,0,0|0,0,0]=1 549 B8R1.50 O=C1CCC(=O)N1I MCULE-8261967194 [0,1,0,0,0,0|0,0,0]=1 550 B8R1.50 O=C1CCC(=O)N1O MCULE-5478278340 [0,1,0,0,0,0|0,0,0]=1 551 B8R1.50 O=C1COC(=O)C1Br MCULE-7458581655 [0,1,0,0,0,0|2,0,0]=3 552 B8R1.50 O=C1COC(=O)C1Cl MCULE-1326411169 [0,1,0,0,0,0|2,0,0]=3 553 B8R1.50 O=C1OCC(=C1Br)Br MCULE-4636963042 [0,1,0,0,0,0|3,0,0]=4 554 B8R1.50 O=C1OCC(=C1Br)O MCULE-3463044896 [0,1,0,0,0,0|2,0,1]=4 555 B8R1.50 O=C1OCC(=C1Cl)Cl MCULE-1730099484 [0,1,0,0,0,0|3,0,0]=4 556 B8R1.51 CC1(CCC(=O)C1)C MCULE-9814375082 [0,1,0,0,0,0|2,0,1]=4 557 B8R1.51 CC1(CCC(=O)N1)C MCULE-2538104334 [0,1,0,0,0,0|1,0,1]=3 558 B8R1.51 CC1(CCC(=O)O1)C MCULE-3069658569 [0,1,0,0,0,0|2,0,1]=4 559 B8R1.51 CC1(CNC(=O)N1)C MCULE-2885809296 [0,1,0,0,0,0|2,0,1]=4 560 B8R1.51 CC1(COC(=O)N1)C MCULE-9709457440 [0,1,0,0,0,0|2,0,1]=4 561 B8R1.51 CC1(NCC(=O)N1)C MCULE-4375597060 [0,1,0,0,0,0|2,0,1]=4 562 B8R1.51 CC1=CS(=O)(=O)CC1 MCULE-6179781717 [0,1,0,0,0,0|3,0,0]=4 563 B8R1.51 CC1CCS(=O)(=O)N1 MCULE-7593233575 [0,1,0,0,0,0|2,0,1]=4 564 B8R1.51 CP1(=O)CCC(=O)O1 MCULE-3689691243 [0,1,0,0,0,0|2,0,0]=3 565 B8R1.51 O=C1CCS(=O)(=O)C1 MCULE-8153139552 [0,1,0,0,0,0|2,0,0]=3 566 B8R1.51 O=C1CCS(=O)(=O)N1 MCULE-4505524753 [0,1,0,0,0,0|1,0,0]=2 567 B8R1.51 O=C1CCS(=O)(=O)O1 MCULE-1696670151 [0,1,0,0,0,0|2,0,0]=3 568 B8R1.51 O=S1(=O)C=C(CC1)Cl MCULE-6148265232 [0,1,0,0,0,0|3,0,0]=4 569 B6R0.1 C(=C/C(=O)CC)\C MCULE-9250312874 [0,0,1,0,0,0|2,0,0]=3 570 B6R0.1 C/C=C/C(=O)OC MCULE-8935178488 [0,0,1,0,0,0|3,0,0]=4 571 B6R0.1 C=CCC(=O)CN MCULE-3960819679 [0,0,1,0,0,0|3,0,0]=4 572 B6R0.1 C=CCC(=O)CN MCULE-8089375331 [0,0,1,0,0,0|3,0,0]=4 573 B6R0.1 C=CCC(=O)NC MCULE-4823208577 [0,0,1,0,0,0|3,0,0]=4 574 B6R0.1 C=CCC(=O)OC MCULE-5546680906 [0,0,1,0,0,0|3,0,0]=4 575 B6R0.1 C=COC(=O)CC MCULE-7662621547 [0,0,1,0,0,0|2,0,0]=3 576 B6R0.1 C=COC(=O)CCl MCULE-7675766105 [0,0,1,0,0,0|3,0,0]=4 577 B6R0.1 CC=CC(=O)CC MCULE-5948495959 [0,0,1,0,0,0|2,0,0]=3 578 B6R0.1 CC=CC(=O)OC MCULE-1093700917 [0,0,1,0,0,0|3,0,0]=4 579 B6R0.1 CCC(=O)CC#N MCULE-6150629588 [0,0,1,0,0,0|2,0,1]=4 580 B6R0.1 CCC(=O)CNC MCULE-3030105640 [0,0,1,0,0,0|3,0,0]=4 581 B6R0.1 CCC(=O)CNC MCULE-6945295017 [0,0,1,0,0,0|3,0,0]=4 582 B6R0.1 CCC(=O)COC MCULE-1087802011 [0,0,1,0,0,0|3,0,0]=4 583 B6R0.1 CCC(=O)CSC MCULE-3230433182 [0,0,1,0,0,0|3,0,0]=4 584 B6R0.1 CCC(=O)NOC MCULE-4440074406 [0,0,1,0,0,0|2,0,0]=3 585 B6R0.1 CCC(=O)OCCl MCULE-6975707373 [0,0,1,0,0,0|2,0,1]=4 586 B6R0.1 CCC(C)CC=O MCULE-9143756592 [0,0,1,0,0,0|2,0,1]=4 587 B6R0.1 CCC(C)NC=O MCULE-2197007756 [0,0,1,0,0,0|1,0,1]=3 588 B6R0.1 CCC(C)OC=O MCULE-9361787208 [0,0,1,0,0,0|2,0,1]=4 589 B6R0.1 CCCC(=O)CC MCULE-7121523805 [0,0,1,0,0,0|2,0,1]=4 590 B6R0.1 CCNC(=O)CBr MCULE-5393521747 [0,0,1,0,0,0|2,0,1]=4 591 B6R0.1 CCNC(=O)CC MCULE-8820594723 [0,0,1,0,0,0|1,0,1]=3 592 B6R0.1 CCNC(=O)CCl MCULE-7288703153 [0,0,1,0,0,0|2,0,1]=4 593 B6R0.1 CCNC(=O)CN MCULE-1913543460 [0,0,1,0,0,0|2,0,1]=4 594 B6R0.1 CCNC(=O)CN MCULE-5473845751 [0,0,1,0,0,0|2,0,1]=4 595 B6R0.1 CCNC(=O)CO MCULE-1386307800 [0,0,1,0,0,0|2,0,1]=4 596 B6R0.1 CCNC(=O)NC MCULE-7197803115 [0,0,1,0,0,0|2,0,1]=4 597 B6R0.1 CCNC(=O)OC MCULE-7110705188 [0,0,1,0,0,0|2,0,1]=4 598 B6R0.1 CCOC(=O)CC MCULE-1639864693 [0,0,1,0,0,0|2,0,1]=4 599 B6R0.1 CCSC(=O)CC MCULE-6361738004 [0,0,1,0,0,0|2,0,1]=4 600 B6R0.1 CNNC(=O)OC MCULE-4763095719 [0,0,1,0,0,0|3,0,0]=4 601 B6R0.1 COC(=O)/C=C/Br MCULE-8282646495 [0,0,1,0,0,0|3,0,0]=4 602 B6R0.1 COC(=O)/C=C/I MCULE-2652779390 [0,0,1,0,0,0|3,0,0]=4 603 B6R0.1 COC(=O)/C=C\Br MCULE-8147758029 [0,0,1,0,0,0|3,0,0]=4 604 B6R0.1 COC(=O)/C=C\I MCULE-9091408550 [0,0,1,0,0,0|3,0,0]=4 605 B6R0.1 COC(=O)C=CBr MCULE-6878439912 [0,0,1,0,0,0|3,0,0]=4 606 B6R0.1 COC(=O)C=CCl MCULE-6895925134 [0,0,1,0,0,0|3,0,0]=4 607 B6R0.1 COC(=O)C=CI MCULE-1616048599 [0,0,1,0,0,0|3,0,0]=4 608 B6R0.1 COC(=O)C=CN MCULE-4685220707 [0,0,1,0,0,0|3,0,0]=4 609 B6R0.1 COC(=O)CC=O MCULE-6624474559 [0,0,1,0,0,0|2,0,0]=3 610 B6R0.1 COC(=O)NC=O MCULE-9852632340 [0,0,1,0,0,0|1,0,0]=2 611 B6R0.1 CONC(=O)OC MCULE-9304532248 [0,0,1,0,0,0|3,0,0]=4 612 B6R0.1 O=C(C=CCl)CCl MCULE-6121304267 [0,0,1,0,0,0|3,0,0]=4 613 B6R0.1 O=C(CCl)NCO MCULE-9960585064 [0,0,1,0,0,0|1,0,2]=4 614 B6R0.1 O=C=NC(=O)CCl MCULE-8927897165 [0,0,1,0,0,0|1,0,2]=4 615 B6R0.2 C=C(C)C=C(C)C MCULE-1842732141 [0,0,1,0,0,0|3,0,0]=4 616 B6R0.2 C=C(C)CC(=O)C MCULE-3534735279 [0,0,1,0,0,0|2,0,0]=3 617 B6R0.2 C=C(C)CC(=O)O MCULE-5404023928 [0,0,1,0,0,0|3,0,0]=4 618 B6R0.2 C=C(C)OC(=O)C MCULE-9345377025 [0,0,1,0,0,0|2,0,0]=3 619 B6R0.2 CC(=CC(=O)Cl)C MCULE-7644585609 [0,0,1,0,0,0|3,0,0]=4 620 B6R0.2 CC(=CC(=O)N)C MCULE-6264319579 [0,0,1,0,0,0|3,0,0]=4 621 B6R0.2 CC(=CC(=O)O)C MCULE-4772426340 [0,0,1,0,0,0|3,0,0]=4 622 B6R0.2 CC(=CC(=O)O)Cl MCULE-7503760292 [0,0,1,0,0,0|3,0,0]=4 623 B6R0.2 CC(=CC(=O)O)I MCULE-2652373771 [0,0,1,0,0,0|3,0,0]=4 624 B6R0.2 CC(=CC(=O)O)N MCULE-5894724848 [0,0,1,0,0,0|3,0,0]=4 625 B6R0.2 CC(=N)CC(=O)C MCULE-4678643052 [0,0,1,0,0,0|2,0,0]=3 626 B6R0.2 CC(=O)/C=C(/C)\N MCULE-1235186190 [0,0,1,0,0,0|2,0,0]=3 627 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-3445340105 [0,0,1,0,0,0|1,0,1]=3 628 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-7833799417 [0,0,1,0,0,0|1,0,1]=3 629 B6R0.2 CC(=O)/C=C(\C)/N MCULE-6412393370 [0,0,1,0,0,0|2,0,0]=3 630 B6R0.2 CC(=O)C=C(C)C MCULE-4922478422 [0,0,1,0,0,0|2,0,0]=3 631 B6R0.2 CC(=O)C=C(C)N MCULE-2247743178 [0,0,1,0,0,0|2,0,0]=3 632 B6R0.2 CC(=O)C=C(C)O MCULE-7345258397 [0,0,1,0,0,0|1,0,1]=3 633 B6R0.2 CC(=O)C=C(C)[O-] MCULE-7733093724 [0,0,1,0,0,0|1,0,1]=3 634 B6R0.2 CC(=O)CC(=O)C MCULE-6481204381 [0,0,1,0,0,0|1,0,0]=2 635 B6R0.2 CC(=O)CC(=O)N MCULE-1618058771 [0,0,1,0,0,0|2,0,0]=3 636 B6R0.2 CC(=O)CC(=O)O MCULE-2601276539 [0,0,1,0,0,0|2,0,0]=3 637 B6R0.2 CC(=O)CC(=O)[O-] MCULE-6317885864 [0,0,1,0,0,0|2,0,0]=3 638 B6R0.2 CC(=O)CC(=O)[O-] MCULE-8448177875 [0,0,1,0,0,0|2,0,0]=3 639 B6R0.2 CC(=O)CC(C)C MCULE-2172909634 [0,0,1,0,0,0|2,0,1]=4 640 B6R0.2 CC(=O)CC(C)N MCULE-1028280795 [0,0,1,0,0,0|2,0,1]=4 641 B6R0.2 CC(=O)CC(C)N MCULE-7911343070 [0,0,1,0,0,0|2,0,1]=4 642 B6R0.2 CC(=O)CC(C)O MCULE-5175367575 [0,0,1,0,0,0|1,0,2]=4 643 B6R0.2 CC(=O)CN(=O)=O MCULE-3153232896 [0,0,1,0,0,0|3,0,0]=4 644 B6R0.2 CC(=O)CN(C)C MCULE-8561521241 [0,0,1,0,0,0|3,0,0]=4 645 B6R0.2 CC(=O)C[C@@H](C)N MCULE-1260669737 [0,0,1,0,0,0|2,0,1]=4 646 B6R0.2 CC(=O)C[C@@H](C)N MCULE-6556661125 [0,0,1,0,0,0|2,0,1]=4 647 B6R0.2 CC(=O)NC(=N)N MCULE-9300028018 [0,0,1,0,0,0|2,0,0]=3 648 B6R0.2 CC(=O)NC(=O)C MCULE-3040534108 [0,0,1,0,0,0|0,0,0]=1 649 B6R0.2 CC(=O)NC(=O)N MCULE-8999775359 [0,0,1,0,0,0|1,0,0]=2 650 B6R0.2 CC(=O)NC(=S)N MCULE-8448117000 [0,0,1,0,0,0|1,1,0]=3 651 B6R0.2 CC(=O)NC(C)C MCULE-2095134698 [0,0,1,0,0,0|1,0,1]=3 652 B6R0.2 CC(=O)NN(C)C MCULE-3444969121 [0,0,1,0,0,0|2,0,0]=3 653 B6R0.2 CC(=O)NN(C)C MCULE-5383938091 [0,0,1,0,0,0|2,0,0]=3 654 B6R0.2 CC(=O)OC(=O)C MCULE-9184217748 [0,0,1,0,0,0|1,0,0]=2 655 B6R0.2 CC(=O)OC(C)Br MCULE-6494616843 [0,0,1,0,0,0|2,0,1]=4 656 B6R0.2 CC(=O)OC(C)C MCULE-6152257819 [0,0,1,0,0,0|2,0,1]=4 657 B6R0.2 CC(=O)OC(C)Cl MCULE-3738479003 [0,0,1,0,0,0|2,0,1]=4 658 B6R0.2 CC(=O)SC(=O)C MCULE-5749449964 [0,0,1,0,0,0|1,0,0]=2 659 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-4855074933 [0,0,1,0,0,0|1,0,0]=2 660 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-6905854247 [0,0,1,0,0,0|1,0,0]=2 661 B6R0.2 CC(C)NC(=O)N MCULE-2725741897 [0,0,1,0,0,0|2,0,1]=4 662 B6R0.2 CN(C)NC(=O)N MCULE-4462686977 [0,0,1,0,0,0|3,0,0]=4 663 B6R0.2 N=C(N)NC(=O)N MCULE-1919966850 [0,0,1,0,0,0|3,0,0]=4 664 B6R0.2 N=C(N)NC(=O)N MCULE-3428379172 [0,0,1,0,0,0|3,0,0]=4 665 B6R0.2 N=C(N)NC(=O)N MCULE-6044803486 [0,0,1,0,0,0|3,0,0]=4 666 B6R0.2 N=C(N)NC(=O)N MCULE-8893931961 [0,0,1,0,0,0|3,0,0]=4 667 B6R0.2 NC(=O)CC(=O)N MCULE-7675159766 [0,0,1,0,0,0|3,0,0]=4 668 B6R0.2 NC(=O)CC(=O)O MCULE-1168254626 [0,0,1,0,0,0|3,0,0]=4 669 B6R0.2 NC(=O)NC(=O)N MCULE-4571627886 [0,0,1,0,0,0|2,0,0]=3 670 B6R0.2 O=C(Cl)CC(=O)Cl MCULE-8779098368 [0,0,1,0,0,0|3,0,0]=4 671 B6R0.2 O=C(O)CC(=O)O MCULE-5893043131 [0,0,1,0,0,0|3,0,0]=4 672 B6R0.2 O=C([O-])CC(=O)[O-] MCULE-2327820884 [0,0,1,0,0,0|3,0,0]=4 673 B6R0.2 O=C([O-])CC(=O)[O-] MCULE-6849635529 [0,0,1,0,0,0|3,0,0]=4 674 B6R0.4 C#CCCC(=O)C MCULE-8723638688 [0,0,1,0,0,0|2,0,1]=4 675 B6R0.4 C#CCCC(=O)Cl MCULE-5720262741 [0,0,1,0,0,0|2,0,1]=4 676 B6R0.4 C#CCCC(=O)N MCULE-4490482235 [0,0,1,0,0,0|1,0,1]=3 677 B6R0.4 C#CCCC(=O)O MCULE-6669146060 [0,0,1,0,0,0|2,0,1]=4 678 B6R0.4 C#CCCC(=O)[O-] MCULE-2972869840 [0,0,1,0,0,0|2,0,1]=4 679 B6R0.4 C#CCNC(=O)N MCULE-4499144419 [0,0,1,0,0,0|2,0,1]=4 680 B6R0.4 C#CCOC(=O)N MCULE-9698208346 [0,0,1,0,0,0|2,0,1]=4 681 B6R0.4 C/C=C/CC(=O)Cl MCULE-5377125313 [0,0,1,0,0,0|2,0,1]=4 682 B6R0.4 C/C=C/CC(=O)N MCULE-1942934157 [0,0,1,0,0,0|1,0,1]=3 683 B6R0.4 C/C=C/CC(=O)O MCULE-4626577048 [0,0,1,0,0,0|2,0,1]=4 684 B6R0.4 C/C=N/NC(=O)N MCULE-5855402964 [0,0,1,0,0,0|3,0,0]=4 685 B6R0.4 C=CCCC(=C)C MCULE-2323382963 [0,0,1,0,0,0|3,0,0]=4 686 B6R0.4 C=CCCC(=N)N MCULE-6900789687 [0,0,1,0,0,0|2,0,0]=3 687 B6R0.4 C=CCCC(=N)N MCULE-8560021860 [0,0,1,0,0,0|2,0,0]=3 688 B6R0.4 C=CCCC(=O)C MCULE-9598399930 [0,0,1,0,0,0|2,0,0]=3 689 B6R0.4 C=CCCC(=O)Cl MCULE-7378353157 [0,0,1,0,0,0|2,0,0]=3 690 B6R0.4 C=CCCC(=O)N MCULE-7202462484 [0,0,1,0,0,0|1,0,0]=2 691 B6R0.4 C=CCCC(=O)O MCULE-6221951425 [0,0,1,0,0,0|2,0,0]=3 692 B6R0.4 C=CCCN(=O)=O MCULE-9645435231 [0,0,1,0,0,0|3,0,0]=4 693 B6R0.4 C=CCNC(=O)C MCULE-7903624915 [0,0,1,0,0,0|3,0,0]=4 694 B6R0.4 C=CCNC(=O)N MCULE-1210131291 [0,0,1,0,0,0|2,0,0]=3 695 B6R0.4 C=CCNC(=S)N MCULE-4099442157 [0,0,1,0,0,0|2,1,0]=4 696 B6R0.4 C=CCOC(=O)C MCULE-9991130828 [0,0,1,0,0,0|3,0,0]=4 697 B6R0.4 C=CCOC(=O)Cl MCULE-3513251417 [0,0,1,0,0,0|3,0,0]=4 698 B6R0.4 C=CCOC(=O)N MCULE-4119124558 [0,0,1,0,0,0|2,0,0]=3 699 B6R0.4 C=CCSC(=N)N MCULE-8236628420 [0,0,1,0,0,0|3,0,0]=4 700 B6R0.4 C=CCSC(=[NH2+])N MCULE-7174450469 [0,0,1,0,0,0|3,0,0]=4 701 B6R0.4 C=CNCC(=O)O MCULE-5142273921 [0,0,1,0,0,0|3,0,0]=4 702 B6R0.4 CC(=O)CCC#N MCULE-6810756363 [0,0,1,0,0,0|2,0,1]=4 703 B6R0.4 CC(=O)CCC=O MCULE-4767690464 [0,0,1,0,0,0|1,0,0]=2 704 B6R0.4 CC(=O)CCCBr MCULE-7143092097 [0,0,1,0,0,0|2,0,1]=4 705 B6R0.4 CC(=O)CCCCl MCULE-7158553745 [0,0,1,0,0,0|2,0,1]=4 706 B6R0.4 CC(=O)CCCO MCULE-1335342150 [0,0,1,0,0,0|1,0,2]=4 707 B6R0.4 CC(C)CCC=O MCULE-9664145623 [0,0,1,0,0,0|2,0,1]=4 708 B6R0.4 CC=CCC(=O)O MCULE-9174714653 [0,0,1,0,0,0|2,0,1]=4 709 B6R0.4 CC=NNC(=O)N MCULE-3878774235 [0,0,1,0,0,0|3,0,0]=4 710 B6R0.4 CCCCC(=N)N MCULE-3271993509 [0,0,1,0,0,0|2,0,1]=4 711 B6R0.4 CCCCC(=N)N MCULE-3935017760 [0,0,1,0,0,0|2,0,1]=4 712 B6R0.4 CCCCC(=O)Br MCULE-2980405081 [0,0,1,0,0,0|2,0,1]=4 713 B6R0.4 CCCCC(=O)C MCULE-3554390184 [0,0,1,0,0,0|2,0,1]=4 714 B6R0.4 CCCCC(=O)Cl MCULE-3875407102 [0,0,1,0,0,0|2,0,1]=4 715 B6R0.4 CCCCC(=O)N MCULE-6419483436 [0,0,1,0,0,0|1,0,1]=3 716 B6R0.4 CCCCC(=O)O MCULE-2333640078 [0,0,1,0,0,0|2,0,1]=4 717 B6R0.4 CCCCC(=O)[O-] MCULE-4817107962 [0,0,1,0,0,0|2,0,1]=4 718 B6R0.4 CCCCC(=S)N MCULE-8236760762 [0,0,1,0,0,0|1,1,1]=4 719 B6R0.4 CCCNC(=O)N MCULE-8528844765 [0,0,1,0,0,0|2,0,1]=4 720 B6R0.4 CCCOC(=O)N MCULE-2760622567 [0,0,1,0,0,0|2,0,1]=4 721 B6R0.4 CCNCC(=O)N MCULE-1787248899 [0,0,1,0,0,0|2,0,1]=4 722 B6R0.4 CCNCC(=O)N MCULE-3821700273 [0,0,1,0,0,0|2,0,1]=4 723 B6R0.4 CN(C)CCC=O MCULE-6830649526 [0,0,1,0,0,0|3,0,0]=4 724 B6R0.4 CNCCC(=O)N MCULE-1118876220 [0,0,1,0,0,0|2,0,0]=3 725 B6R0.4 CNCCC(=O)N MCULE-6679713144 [0,0,1,0,0,0|2,0,0]=3 726 B6R0.4 CNCCC(=O)O MCULE-3627988097 [0,0,1,0,0,0|3,0,0]=4 727 B6R0.4 CNCCC(=O)O MCULE-9858204248 [0,0,1,0,0,0|3,0,0]=4 728 B6R0.4 COCCC(=N)N MCULE-8118559492 [0,0,1,0,0,0|3,0,0]=4 729 B6R0.4 COCCC(=N)N MCULE-9000138086 [0,0,1,0,0,0|3,0,0]=4 730 B6R0.4 COCCC(=O)C MCULE-5939812376 [0,0,1,0,0,0|3,0,0]=4 731 B6R0.4 COCCC(=O)Cl MCULE-9454266286 [0,0,1,0,0,0|3,0,0]=4 732 B6R0.4 COCCC(=O)N MCULE-7556483675 [0,0,1,0,0,0|2,0,0]=3 733 B6R0.4 COCCC(=O)O MCULE-3436347115 [0,0,1,0,0,0|3,0,0]=4 734 B6R0.4 COCNC(=O)N MCULE-8367032240 [0,0,1,0,0,0|3,0,0]=4 735 B6R0.4 CSCCC(=N)N MCULE-3926353306 [0,0,1,0,0,0|3,0,0]=4 736 B6R0.4 CSCCC(=N)N MCULE-4451485733 [0,0,1,0,0,0|3,0,0]=4 737 B6R0.4 CSCCC(=O)C MCULE-6178663156 [0,0,1,0,0,0|3,0,0]=4 738 B6R0.4 CSCCC(=O)Cl MCULE-9732512141 [0,0,1,0,0,0|3,0,0]=4 739 B6R0.4 CSCCC(=O)N MCULE-7105035733 [0,0,1,0,0,0|2,0,0]=3 740 B6R0.4 CSCCC(=O)O MCULE-9550032941 [0,0,1,0,0,0|3,0,0]=4 741 B6R0.4 N#CCCC(=O)O MCULE-3165189228 [0,0,1,0,0,0|2,0,1]=4 742 B6R0.4 N#CCNC(=O)N MCULE-9927791118 [0,0,1,0,0,0|2,0,1]=4 743 B6R0.4 N#N=NCC(=O)N MCULE-8839477322 [0,0,1,0,0,0|3,0,0]=4 744 B6R0.4 NC(=O)CCCCl MCULE-2774705212 [0,0,1,0,0,0|1,0,1]=3 745 B6R0.4 NC(=O)CCCO MCULE-3779341561 [0,0,1,0,0,0|0,0,2]=3 746 B6R0.4 NC(=O)CN=C=S MCULE-1111706944 [0,0,1,0,0,0|1,1,1]=4 747 B6R0.4 NC(=O)NCCCl MCULE-6117142945 [0,0,1,0,0,0|2,0,1]=4 748 B6R0.4 NC(=O)NCCF MCULE-9526714989 [0,0,1,0,0,0|2,0,1]=4 749 B6R0.4 NC(=O)NCCO MCULE-2353513655 [0,0,1,0,0,0|1,0,2]=4 750 B6R0.4 NC(=O)OCCCl MCULE-4259077420 [0,0,1,0,0,0|2,0,1]=4 751 B6R0.4 NC(=O)OCCO MCULE-7565460845 [0,0,1,0,0,0|1,0,2]=4 752 B6R0.4 NC(=S)CCCO MCULE-8951145487 [0,0,1,0,0,0|0,1,2]=4 753 B6R0.4 NC(=S)NNC=O MCULE-5309261345 [0,0,1,0,0,0|2,1,0]=4 754 B6R0.4 NCCCC(=O)Cl MCULE-1312882775 [0,0,1,0,0,0|2,0,1]=4 755 B6R0.4 NCCCC(=O)Cl MCULE-6405362906 [0,0,1,0,0,0|2,0,1]=4 756 B6R0.4 NCCCC(=O)N MCULE-8039142092 [0,0,1,0,0,0|1,0,1]=3 757 B6R0.4 NCCCC(=O)N MCULE-8262250872 [0,0,1,0,0,0|1,0,1]=3 758 B6R0.4 NCCCC(=O)O MCULE-3615304273 [0,0,1,0,0,0|2,0,1]=4 759 B6R0.4 NCCCC(=O)O MCULE-7613134021 [0,0,1,0,0,0|2,0,1]=4 760 B6R0.4 NCCNC(=O)N MCULE-1197396950 [0,0,1,0,0,0|2,0,1]=4 761 B6R0.4 NCCNC(=O)N MCULE-2171700183 [0,0,1,0,0,0|2,0,1]=4 762 B6R0.4 NCCNC(=O)N MCULE-3799764813 [0,0,1,0,0,0|2,0,1]=4 763 B6R0.4 NCCOC(=O)N MCULE-4144808257 [0,0,1,0,0,0|2,0,1]=4 764 B6R0.4 NCCOC(=O)N MCULE-5815053840 [0,0,1,0,0,0|2,0,1]=4 765 B6R0.4 NOCCC(=O)O MCULE-1529492904 [0,0,1,0,0,0|3,0,0]=4 766 B6R0.4 NOCCC(=O)O MCULE-6297331357 [0,0,1,0,0,0|3,0,0]=4 767 B6R0.4 O=C(Cl)CCCBr MCULE-1389049838 [0,0,1,0,0,0|2,0,1]=4 768 B6R0.4 O=C(Cl)CCCCl MCULE-5885932072 [0,0,1,0,0,0|2,0,1]=4 769 B6R0.4 O=C(O)CCCBr MCULE-5669825022 [0,0,1,0,0,0|2,0,1]=4 770 B6R0.4 O=C(O)CCCCl MCULE-7721427391 [0,0,1,0,0,0|2,0,1]=4 771 B6R0.4 O=C(O)CCCF MCULE-2415675768 [0,0,1,0,0,0|2,0,1]=4 772 B6R0.4 O=C(O)CCCI MCULE-7794841553 [0,0,1,0,0,0|2,0,1]=4 773 B6R0.4 O=C(O)CCCS MCULE-3352840152 [0,0,1,0,0,0|1,1,1]=4 774 B6R0.4 O=C([O-])CCCCl MCULE-4131322715 [0,0,1,0,0,0|2,0,1]=4 775 B6R0.4 O=CCCC(=O)O MCULE-7183864722 [0,0,1,0,0,0|1,0,0]=2 776 B6R0.4 O=CCCC(F)F MCULE-4743402824 [0,0,1,0,0,0|2,0,1]=4 777 B6R0.4 O=CCCN(=O)=O MCULE-3692892497 [0,0,1,0,0,0|2,0,0]=3 778 B6R0.4 O=CNCC(=O)O MCULE-3251128290 [0,0,1,0,0,0|2,0,0]=3 779 B8R2.4 O=C1CC2CC1C2 MCULE-5372379094 [0,0,0,1,0,0|2,0,1]=4 780 B8R2.18 O=C1CC2CC2C1 MCULE-4411193370 [0,0,0,1,0,0|2,0,1]=4 781 B8R2.18 O=C1CC2CC2N1 MCULE-6301280583 [0,0,0,1,0,0|1,0,1]=3 782 B8R2.18 O=C1CC2OC2C1 MCULE-2497020989 [0,0,0,1,0,0|1,0,2]=4 783 B8R2.18 O=C1C[C@@H]2C[C@@H]2C1 MCULE-3069760916 [0,0,0,1,0,0|2,0,1]=4 784 B8R2.38 O=C1CCC2C1C2 MCULE-4714285285 [0,0,0,1,0,0|2,0,1]=4 785 B8R2.38 O=C1CCC2C1O2 MCULE-5532735099 [0,0,0,1,0,0|1,0,2]=4 786 B8R2.38 O=C1CC[C@@H]2[C@H]1C2 MCULE-7728867768 [0,0,0,1,0,0|2,0,1]=4 787 B8R2.38 O=C1CC[C@H]2[C@@H]1C2 MCULE-1007541778 [0,0,0,1,0,0|2,0,1]=4 788 B8R2.38 O=C1CC[C@H]2[C@@H]1C2 MCULE-8077752466 [0,0,0,1,0,0|2,0,1]=4 789 B6R1.4 CC1CCC1=O MCULE-4548181715 [0,0,0,0,1,0|1,0,1]=3 790 B6R1.4 CC1CNC1=O MCULE-5523309752 [0,0,0,0,1,0|2,0,1]=4 791 B6R1.4 CC1COC1=O MCULE-9711165188 [0,0,0,0,1,0|2,0,1]=4 792 B6R1.4 CC1OCC1=O MCULE-7718609686 [0,0,0,0,1,0|2,0,1]=4 793 B6R1.4 NC1CCC1=O MCULE-3868209809 [0,0,0,0,1,0|1,0,1]=3 794 B6R1.4 NC1CCC1=O MCULE-9741389143 [0,0,0,0,1,0|1,0,1]=3 795 B6R1.4 NC1CNC1=O MCULE-2761616663 [0,0,0,0,1,0|2,0,1]=4 796 B6R1.4 NC1CNC1=O MCULE-3021306383 [0,0,0,0,1,0|2,0,1]=4 797 B6R1.4 NC1CNC1=O MCULE-3943057121 [0,0,0,0,1,0|2,0,1]=4 798 B6R1.4 NC1COC1=O MCULE-6998565452 [0,0,0,0,1,0|2,0,1]=4 799 B6R1.4 NN1CCC1=O MCULE-6200802911 [0,0,0,0,1,0|2,0,0]=3 800 B6R1.4 NN1CCC1=O MCULE-8249778821 [0,0,0,0,1,0|2,0,0]=3 801 B6R1.4 N[C@@H]1CNC1=O MCULE-3645662662 [0,0,0,0,1,0|2,0,1]=4 802 B6R1.4 N[C@@H]1CNC1=O MCULE-4399212271 [0,0,0,0,1,0|2,0,1]=4 803 B6R1.4 N[C@@H]1CNC1=O MCULE-6332076219 [0,0,0,0,1,0|2,0,1]=4 804 B6R1.4 N[C@@H]1CNC1=O MCULE-6365012530 [0,0,0,0,1,0|2,0,1]=4 805 B6R1.4 N[C@@H]1COC1=O MCULE-8080548213 [0,0,0,0,1,0|2,0,1]=4 806 B6R1.4 N[C@@H]1COC1=O MCULE-9370092691 [0,0,0,0,1,0|2,0,1]=4 807 B6R1.4 N[C@H]1CNC1=O MCULE-2792436534 [0,0,0,0,1,0|2,0,1]=4 808 B6R1.4 N[C@H]1CNC1=O MCULE-6881316562 [0,0,0,0,1,0|2,0,1]=4 809 B6R1.4 N[C@H]1CNC1=O MCULE-8864053661 [0,0,0,0,1,0|2,0,1]=4 810 B6R1.4 N[C@H]1CNC1=O MCULE-9014449253 [0,0,0,0,1,0|2,0,1]=4 811 B6R1.4 N[C@H]1COC1=O MCULE-4812631526 [0,0,0,0,1,0|2,0,1]=4 812 B6R1.4 O=C1CCC1Br MCULE-1088592133 [0,0,0,0,1,0|1,0,1]=3 813 B6R1.4 O=C1CCC1F MCULE-6197375881 [0,0,0,0,1,0|1,0,1]=3 814 B6R1.4 O=C1CCC1O MCULE-1248327203 [0,0,0,0,1,0|0,0,2]=3 815 B6R1.4 O=C1CC[C@@H]1Br MCULE-3455449754 [0,0,0,0,1,0|1,0,1]=3 816 B6R1.4 [C@@H]1(COC1=O)N MCULE-7456320845 [0,0,0,0,1,0|2,0,1]=4 817 B6R1.5 C=C1CC(=O)O1 MCULE-7149487095 [0,0,0,0,1,0|2,0,0]=3 818 B6R1.5 CC1CC(=O)C1 MCULE-2159393653 [0,0,0,0,1,0|2,0,1]=4 819 B6R1.5 CC1CC(=O)N1 MCULE-6139592633 [0,0,0,0,1,0|1,0,1]=3 820 B6R1.5 CC1CC(=O)O1 MCULE-9285847382 [0,0,0,0,1,0|2,0,1]=4 821 B6R1.5 CN1CC(=O)C1 MCULE-1685267969 [0,0,0,0,1,0|3,0,0]=4 822 B6R1.5 CN1CC(=O)C1 MCULE-2242594777 [0,0,0,0,1,0|3,0,0]=4 823 B6R1.5 C[C@@H]1CC(=O)O1 MCULE-3257475519 [0,0,0,0,1,0|2,0,1]=4 824 B6R1.5 NC1CC(=O)C1 MCULE-3450860282 [0,0,0,0,1,0|2,0,1]=4 825 B6R1.5 NC1CC(=O)C1 MCULE-5974961836 [0,0,0,0,1,0|2,0,1]=4 826 B6R1.5 O=C1CC(C1)Br MCULE-1715982282 [0,0,0,0,1,0|2,0,1]=4 827 B6R1.5 O=C1CC(C1)F MCULE-2541516698 [0,0,0,0,1,0|2,0,1]=4 828 B6R1.5 O=C1CC(C1)O MCULE-7099112258 [0,0,0,0,1,0|1,0,2]=4 829 B8R1.3 C1(CNC(=O)CN1)C MCULE-9891046463 [0,0,0,0,0,1|2,0,1]=4 830 B8R1.3 C=C1CCC(=O)CC1 MCULE-8766071389 [0,0,0,0,0,1|2,0,0]=3 831 B8R1.3 CC1=CCC(=O)CC1 MCULE-5396065385 [0,0,0,0,0,1|2,0,0]=3 832 B8R1.3 CC1=CNC(=O)C=N1 MCULE-2679502239 [0,0,0,0,0,1|2,0,1]=4 833 B8R1.3 CC1=NNC(=O)C=C1 MCULE-2635221520 [0,0,0,0,0,1|1,0,2]=4 834 B8R1.3 CC1=NNC(=O)CC1 MCULE-3548202908 [0,0,0,0,0,1|1,0,0]=2 835 B8R1.3 CC1C=CC(=O)CC1 MCULE-6972928704 [0,0,0,0,0,1|2,0,1]=4 836 B8R1.3 CC1CCC(=O)CC1 MCULE-5534475096 [0,0,0,0,0,1|2,0,1]=4 837 B8R1.3 CC1CCC(=O)CC1 MCULE-9038467737 [0,0,0,0,0,1|2,0,1]=4 838 B8R1.3 CC1CCC(=O)CN1 MCULE-1285022466 [0,0,0,0,0,1|1,0,1]=3 839 B8R1.3 CC1CCC(=O)CN1 MCULE-9314433387 [0,0,0,0,0,1|1,0,1]=3 840 B8R1.3 CC1CCC(=O)CO1 MCULE-8334906567 [0,0,0,0,0,1|2,0,1]=4 841 B8R1.3 CC1CCC(=O)CS1 MCULE-9188619559 [0,0,0,0,0,1|2,0,1]=4 842 B8R1.3 CC1CCC(=O)NC1 MCULE-1307751847 [0,0,0,0,0,1|1,0,1]=3 843 B8R1.3 CC1CNC(=O)CN1 MCULE-2050820306 [0,0,0,0,0,1|2,0,1]=4 844 B8R1.3 CC1CNC(=O)CN1 MCULE-9509469557 [0,0,0,0,0,1|2,0,1]=4 845 B8R1.3 CC1CNC(=O)CO1 MCULE-6817757578 [0,0,0,0,0,1|2,0,1]=4 846 B8R1.3 CN1CCC(=O)CC1 MCULE-3370577555 [0,0,0,0,0,1|3,0,0]=4 847 B8R1.3 CN1CCC(=O)CC1 MCULE-5364011649 [0,0,0,0,0,1|3,0,0]=4 848 B8R1.3 C[C@@H]1CCC(=O)CN1 MCULE-4693797730 [0,0,0,0,0,1|1,0,1]=3 849 B8R1.3 C[C@@H]1CCC(=O)CN1 MCULE-5991774380 [0,0,0,0,0,1|1,0,1]=3 850 B8R1.3 C[C@@H]1CCC(=O)CN1 MCULE-6484213897 [0,0,0,0,0,1|1,0,1]=3 851 B8R1.3 C[C@@H]1CCC(=O)CN1 MCULE-7346191190 [0,0,0,0,0,1|1,0,1]=3 852 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-1088991552 [0,0,0,0,0,1|2,0,1]=4 853 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-1952714815 [0,0,0,0,0,1|2,0,1]=4 854 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-3350871833 [0,0,0,0,0,1|2,0,1]=4 855 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-9637742350 [0,0,0,0,0,1|2,0,1]=4 856 B8R1.3 C[C@@H]1CNC(=O)CO1 MCULE-7192421297 [0,0,0,0,0,1|2,0,1]=4 857 B8R1.3 C[C@@H]1CNC(=O)CO1 MCULE-7394512903 [0,0,0,0,0,1|2,0,1]=4 858 B8R1.3 C[C@H]1CCC(=O)CN1 MCULE-6334939841 [0,0,0,0,0,1|1,0,1]=3 859 B8R1.3 C[C@H]1CCC(=O)CN1 MCULE-8476307649 [0,0,0,0,0,1|1,0,1]=3 860 B8R1.3 C[C@H]1CCC(=O)NC1 MCULE-5712112445 [0,0,0,0,0,1|1,0,1]=3 861 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-3373819559 [0,0,0,0,0,1|2,0,1]=4 862 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-4486681671 [0,0,0,0,0,1|2,0,1]=4 863 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-7180229103 [0,0,0,0,0,1|2,0,1]=4 864 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-9466864223 [0,0,0,0,0,1|2,0,1]=4 865 B8R1.3 C[C@H]1CNC(=O)CO1 MCULE-6169535590 [0,0,0,0,0,1|2,0,1]=4 866 B8R1.3 C[C@H]1CNC(=O)CO1 MCULE-8876635175 [0,0,0,0,0,1|2,0,1]=4 867 B8R1.3 NC1=CNC(=O)N=C1 MCULE-2442673142 [0,0,0,0,0,1|2,0,1]=4 868 B8R1.3 NC1CCC(=O)CC1 MCULE-5825363145 [0,0,0,0,0,1|2,0,1]=4 869 B8R1.3 NC1CCC(=O)CC1 MCULE-6212878324 [0,0,0,0,0,1|2,0,1]=4 870 B8R1.3 NC1CCC(=O)NC1 MCULE-2677675224 [0,0,0,0,0,1|1,0,1]=3 871 B8R1.3 NC1CCC(=O)NC1 MCULE-8711968877 [0,0,0,0,0,1|1,0,1]=3 872 B8R1.3 NC1CCC(=O)NC1 MCULE-8915391016 [0,0,0,0,0,1|1,0,1]=3 873 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-5372893548 [0,0,0,0,0,1|1,0,1]=3 874 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-6411408704 [0,0,0,0,0,1|1,0,1]=3 875 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-6771263407 [0,0,0,0,0,1|1,0,1]=3 876 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-9035818807 [0,0,0,0,0,1|1,0,1]=3 877 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-1921494480 [0,0,0,0,0,1|1,0,1]=3 878 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-4843708987 [0,0,0,0,0,1|1,0,1]=3 879 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-6599794889 [0,0,0,0,0,1|1,0,1]=3 880 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-7112568050 [0,0,0,0,0,1|1,0,1]=3 881 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-9053885307 [0,0,0,0,0,1|1,0,1]=3 882 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-9780118077 [0,0,0,0,0,1|1,0,1]=3 883 B8R1.3 O=C1C=CC(=CN1)Br MCULE-5174732595 [0,0,0,0,0,1|1,0,2]=4 884 B8R1.3 O=C1C=CC(=NN1)Cl MCULE-9091661850 [0,0,0,0,0,1|1,0,2]=4 885 B8R1.3 O=C1C=CC(=NN1)F MCULE-8050086590 [0,0,0,0,0,1|1,0,2]=4 886 B8R1.3 O=C1C=CC(=O)C=C1 MCULE-2576853438 [0,0,0,0,0,1|1,0,2]=4 887 B8R1.3 O=C1C=CC(=O)N=N1 MCULE-5664955304 [0,0,0,0,0,1|0,0,3]=4 888 B8R1.3 O=C1C=CC(=O)NN1 MCULE-5100178532 [0,0,0,0,0,1|0,0,2]=3 889 B8R1.3 O=C1C=NC(=CN1)F MCULE-6846208345 [0,0,0,0,0,1|2,0,1]=4 890 B8R1.3 O=C1C=NC(=CN1)I MCULE-6198334100 [0,0,0,0,0,1|2,0,1]=4 891 B8R1.3 O=C1CC=C(C=N1)Br MCULE-7996644847 [0,0,0,0,0,1|1,0,2]=4 892 B8R1.3 O=C1CCC(=O)CC1 MCULE-5432049567 [0,0,0,0,0,1|1,0,0]=2 893 B8R1.3 O=C1CCC(=O)NC1 MCULE-8297515560 [0,0,0,0,0,1|0,0,0]=1 894 B8R1.3 O=C1CCC(=O)NN1 MCULE-3404255918 [0,0,0,0,0,1|0,0,0]=1 895 B8R1.3 O=C1CCC(=O)OC1 MCULE-5478039984 [0,0,0,0,0,1|1,0,0]=2 896 B8R1.3 O=C1CCC(CC1)Br MCULE-1177789896 [0,0,0,0,0,1|2,0,1]=4 897 B8R1.3 O=C1CCC(CC1)Cl MCULE-3647406761 [0,0,0,0,0,1|2,0,1]=4 898 B8R1.3 O=C1CCC(CC1)F MCULE-5757540710 [0,0,0,0,0,1|2,0,1]=4 899 B8R1.3 O=C1CCC(CC1)O MCULE-7247867750 [0,0,0,0,0,1|1,0,2]=4 900 B8R1.3 O=C1CCC(CN1)F MCULE-1848493447 [0,0,0,0,0,1|1,0,1]=3 901 B8R1.3 O=C1CCC(CN1)O MCULE-4501886280 [0,0,0,0,0,1|0,0,2]=3 902 B8R1.3 O=C1CCC(CO1)O MCULE-6372408261 [0,0,0,0,0,1|1,0,2]=4 903 B8R1.3 O=C1CCS(=O)CC1 MCULE-5385870019 [0,0,0,0,0,1|2,0,0]=3 904 B8R1.3 O=C1CC[C@@H](CN1)O MCULE-3426407148 [0,0,0,0,0,1|0,0,2]=3 905 B8R1.3 O=C1CC[C@@H](CN1)O MCULE-9592320749 [0,0,0,0,0,1|0,0,2]=3 906 B8R1.3 O=C1CC[C@H](CN1)O MCULE-1500705916 [0,0,0,0,0,1|0,0,2]=3 907 B8R1.3 O=C1CC[C@H](CN1)O MCULE-9578240246 [0,0,0,0,0,1|0,0,2]=3 908 B8R1.3 O=C1CNC(=O)CN1 MCULE-7134033861 [0,0,0,0,0,1|1,0,0]=2 909 B8R1.3 O=C1COC(=O)CN1 MCULE-4171313774 [0,0,0,0,0,1|1,0,0]=2 910 B8R1.3 O=C1COC(=O)CO1 MCULE-8927291216 [0,0,0,0,0,1|2,0,0]=3 911 B8R1.3 O=C1N=CC(=CN1)Br MCULE-9370622613 [0,0,0,0,0,1|2,0,1]=4 912 B8R1.3 O=C1N=CC(=CN1)F MCULE-6016921664 [0,0,0,0,0,1|2,0,1]=4 913 B8R1.3 O=C1N=CC(=CN1)O MCULE-9708220927 [0,0,0,0,0,1|1,0,2]=4 914 B8R1.3 O=C1NCC(CN1)O MCULE-7019603243 [0,0,0,0,0,1|1,0,2]=4 915 B8R1.4 C1(CC(=O)CCN1)C MCULE-1061296374 [0,0,0,0,0,1|2,0,1]=4 916 B8R1.4 C1(CC(=O)CCN1)C MCULE-4465075512 [0,0,0,0,0,1|2,0,1]=4 917 B8R1.4 C1(CC(=O)CCN1)C MCULE-9958407361 [0,0,0,0,0,1|2,0,1]=4 918 B8R1.4 C1(CNCC(=O)N1)C MCULE-3246707428 [0,0,0,0,0,1|1,0,1]=3 919 B8R1.4 C=C1CCCC(=O)O1 MCULE-1342678884 [0,0,0,0,0,1|2,0,0]=3 920 B8R1.4 CC1=CC(=O)CCC1 MCULE-6849313207 [0,0,0,0,0,1|2,0,0]=3 921 B8R1.4 CC1=CC(=O)OCC1 MCULE-1467184061 [0,0,0,0,0,1|2,0,0]=3 922 B8R1.4 CC1=CC=CC(=O)N1 MCULE-2763977381 [0,0,0,0,0,1|1,0,2]=4 923 B8R1.4 CC1=CC=NC(=O)N1 MCULE-6541642341 [0,0,0,0,0,1|1,0,2]=4 924 B8R1.4 CC1=CCCC(=O)C1 MCULE-8078773996 [0,0,0,0,0,1|2,0,0]=3 925 B8R1.4 CC1=CCCC(=O)O1 MCULE-1590433845 [0,0,0,0,0,1|2,0,0]=3 926 B8R1.4 CC1CC(=O)CCN1 MCULE-3306158037 [0,0,0,0,0,1|2,0,1]=4 927 B8R1.4 CC1CC(=O)CCN1 MCULE-4556824309 [0,0,0,0,0,1|2,0,1]=4 928 B8R1.4 CC1CC(=O)CCN1 MCULE-6103506996 [0,0,0,0,0,1|2,0,1]=4 929 B8R1.4 CC1CC(=O)CCN1 MCULE-9670943852 [0,0,0,0,0,1|2,0,1]=4 930 B8R1.4 CC1CC(=O)CCO1 MCULE-3051168755 [0,0,0,0,0,1|2,0,1]=4 931 B8R1.4 CC1CCCC(=O)C1 MCULE-6473963111 [0,0,0,0,0,1|2,0,1]=4 932 B8R1.4 CC1CCCC(=O)C1 MCULE-9918051823 [0,0,0,0,0,1|2,0,1]=4 933 B8R1.4 CC1CCCC(=O)N1 MCULE-3851963076 [0,0,0,0,0,1|1,0,1]=3 934 B8R1.4 CC1CCCC(=O)O1 MCULE-4000069856 [0,0,0,0,0,1|2,0,1]=4 935 B8R1.4 CC1CCNC(=O)C1 MCULE-8903018599 [0,0,0,0,0,1|2,0,1]=4 936 B8R1.4 CC1CCNC(=O)N1 MCULE-6491047836 [0,0,0,0,0,1|1,0,1]=3 937 B8R1.4 CC1CCOC(=O)C1 MCULE-2682865017 [0,0,0,0,0,1|2,0,1]=4 938 B8R1.4 CC1CCOC(=O)O1 MCULE-5929311811 [0,0,0,0,0,1|2,0,1]=4 939 B8R1.4 CC1CNCC(=O)N1 MCULE-5727167900 [0,0,0,0,0,1|1,0,1]=3 940 B8R1.4 CC1CNCC(=O)N1 MCULE-9599432640 [0,0,0,0,0,1|1,0,1]=3 941 B8R1.4 CC1COCC(=O)N1 MCULE-4768427051 [0,0,0,0,0,1|1,0,1]=3 942 B8R1.4 CC1COCC(=O)N1 MCULE-5909800781 [0,0,0,0,0,1|1,0,1]=3 943 B8R1.4 CN1CCCC(=O)C1 MCULE-1067967474 [0,0,0,0,0,1|3,0,0]=4 944 B8R1.4 CN1CCCC(=O)C1 MCULE-4816876030 [0,0,0,0,0,1|3,0,0]=4 945 B8R1.4 CN1CCNC(=O)C1 MCULE-5564854834 [0,0,0,0,0,1|3,0,0]=4 946 B8R1.4 CN1CCOC(=O)C1 MCULE-2224720964 [0,0,0,0,0,1|3,0,0]=4 947 B8R1.4 CN1CCOC(=O)C1 MCULE-9163078129 [0,0,0,0,0,1|3,0,0]=4 948 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-7688577280 [0,0,0,0,0,1|2,0,1]=4 949 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-7762440526 [0,0,0,0,0,1|2,0,1]=4 950 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-8158589956 [0,0,0,0,0,1|2,0,1]=4 951 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-9544551566 [0,0,0,0,0,1|2,0,1]=4 952 B8R1.4 C[C@@H]1CC(=O)CCO1 MCULE-4878813100 [0,0,0,0,0,1|2,0,1]=4 953 B8R1.4 C[C@@H]1CC(=O)CCO1 MCULE-7917159022 [0,0,0,0,0,1|2,0,1]=4 954 B8R1.4 C[C@@H]1CCCC(=O)C1 MCULE-1868776628 [0,0,0,0,0,1|2,0,1]=4 955 B8R1.4 C[C@@H]1CCCC(=O)C1 MCULE-6973928430 [0,0,0,0,0,1|2,0,1]=4 956 B8R1.4 C[C@@H]1CCCC(=O)N1 MCULE-2050655386 [0,0,0,0,0,1|1,0,1]=3 957 B8R1.4 C[C@@H]1CCCC(=O)N1 MCULE-7049359933 [0,0,0,0,0,1|1,0,1]=3 958 B8R1.4 C[C@@H]1CCCC(=O)O1 MCULE-6306078053 [0,0,0,0,0,1|2,0,1]=4 959 B8R1.4 C[C@@H]1CCCC(=O)O1 MCULE-7616070208 [0,0,0,0,0,1|2,0,1]=4 960 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-3378865379 [0,0,0,0,0,1|1,0,1]=3 961 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-5740698320 [0,0,0,0,0,1|1,0,1]=3 962 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-7692987274 [0,0,0,0,0,1|1,0,1]=3 963 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-8897582822 [0,0,0,0,0,1|1,0,1]=3 964 B8R1.4 C[C@@H]1COCC(=O)N1 MCULE-1758598852 [0,0,0,0,0,1|1,0,1]=3 965 B8R1.4 C[C@@H]1COCC(=O)N1 MCULE-2011395384 [0,0,0,0,0,1|1,0,1]=3 966 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-1599463757 [0,0,0,0,0,1|2,0,1]=4 967 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-4580048332 [0,0,0,0,0,1|2,0,1]=4 968 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-5356496154 [0,0,0,0,0,1|2,0,1]=4 969 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-5733481696 [0,0,0,0,0,1|2,0,1]=4 970 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-6641640616 [0,0,0,0,0,1|2,0,1]=4 971 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-8001129555 [0,0,0,0,0,1|2,0,1]=4 972 B8R1.4 C[C@H]1CC(=O)CCO1 MCULE-7799394182 [0,0,0,0,0,1|2,0,1]=4 973 B8R1.4 C[C@H]1CCCC(=O)C1 MCULE-4643975445 [0,0,0,0,0,1|2,0,1]=4 974 B8R1.4 C[C@H]1CCCC(=O)C1 MCULE-6122391840 [0,0,0,0,0,1|2,0,1]=4 975 B8R1.4 C[C@H]1CCNC(=O)C1 MCULE-7120988665 [0,0,0,0,0,1|2,0,1]=4 976 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-3182538973 [0,0,0,0,0,1|1,0,1]=3 977 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-3207104811 [0,0,0,0,0,1|1,0,1]=3 978 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-5895954143 [0,0,0,0,0,1|1,0,1]=3 979 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-6535652978 [0,0,0,0,0,1|1,0,1]=3 980 B8R1.4 C[C@H]1COCC(=O)N1 MCULE-5693624195 [0,0,0,0,0,1|1,0,1]=3 981 B8R1.4 C[C@H]1COCC(=O)N1 MCULE-8476323396 [0,0,0,0,0,1|1,0,1]=3 982 B8R1.4 N=C1NC(=N)SCS1 MCULE-5624881713 [0,0,0,0,0,1|3,0,0]=4 983 B8R1.4 N=C1NC(=N)SCS1 MCULE-6621214556 [0,0,0,0,0,1|3,0,0]=4 984 B8R1.4 NC1=CC(=O)CCC1 MCULE-3362548403 [0,0,0,0,0,1|2,0,0]=3 985 B8R1.4 NC1=CC(=O)COC1 MCULE-7765608843 [0,0,0,0,0,1|2,0,0]=3 986 B8R1.4 NC1=CN=CC(=O)N1 MCULE-3785264411 [0,0,0,0,0,1|1,0,2]=4 987 B8R1.4 NC1=NC=CC(=O)N1 MCULE-7474139826 [0,0,0,0,0,1|1,0,2]=4 988 B8R1.4 NC1=NC=NC(=O)N1 MCULE-2741288744 [0,0,0,0,0,1|2,0,1]=4 989 B8R1.4 NC1=NCCC(=O)N1 MCULE-1616157929 [0,0,0,0,0,1|1,0,0]=2 990 B8R1.4 NC1CCCC(=O)C1 MCULE-3659606498 [0,0,0,0,0,1|2,0,1]=4 991 B8R1.4 NC1CCCC(=O)C1 MCULE-8815445353 [0,0,0,0,0,1|2,0,1]=4 992 B8R1.4 NC1CCNC(=O)C1 MCULE-2185303732 [0,0,0,0,0,1|2,0,1]=4 993 B8R1.4 NC1CCNC(=O)C1 MCULE-4290135082 [0,0,0,0,0,1|2,0,1]=4 994 B8R1.4 NC1CCNC(=O)C1 MCULE-6525283699 [0,0,0,0,0,1|2,0,1]=4 995 B8R1.4 NC1CCNC(=O)C1 MCULE-8080194775 [0,0,0,0,0,1|2,0,1]=4 996 B8R1.4 NC1COCC(=O)C1 MCULE-4958107203 [0,0,0,0,0,1|2,0,1]=4 997 B8R1.4 NC1COCC(=O)C1 MCULE-9645630994 [0,0,0,0,0,1|2,0,1]=4 998 B8R1.4 N[C@@H]1CCCC(=O)C1 MCULE-4006583256 [0,0,0,0,0,1|2,0,1]=4 999 B8R1.4 N[C@@H]1CCNC(=O)C1 MCULE-8276559925 [0,0,0,0,0,1|2,0,1]=4 1000 B8R1.4 N[C@@H]1COCC(=O)C1 MCULE-3299834957 [0,0,0,0,0,1|2,0,1]=4 1001 B8R1.4 N[C@@H]1COCC(=O)C1 MCULE-6683156371 [0,0,0,0,0,1|2,0,1]=4 1002 B8R1.4 N[C@H]1CCCC(=O)C1 MCULE-9786035316 [0,0,0,0,0,1|2,0,1]=4 1003 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-1641151984 [0,0,0,0,0,1|2,0,1]=4 1004 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-2042394403 [0,0,0,0,0,1|2,0,1]=4 1005 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-6400271298 [0,0,0,0,0,1|2,0,1]=4 1006 B8R1.4 O=C1C=C(CCC1)Br MCULE-3733885681 [0,0,0,0,0,1|2,0,0]=3 1007 B8R1.4 O=C1C=C(CCC1)Cl MCULE-9612484193 [0,0,0,0,0,1|2,0,0]=3 1008 B8R1.4 O=C1C=C(CCC1)I MCULE-4085762002 [0,0,0,0,0,1|2,0,0]=3 1009 B8R1.4 O=C1C=C(CCC1)O MCULE-5615245957 [0,0,0,0,0,1|1,0,1]=3 1010 B8R1.4 O=C1C=C(CCN1)Br MCULE-5356952780 [0,0,0,0,0,1|2,0,0]=3 1011 B8R1.4 O=C1C=C(COC1)O MCULE-2385941614 [0,0,0,0,0,1|1,0,1]=3 1012 B8R1.4 O=C1C=C(N=CC1)Cl MCULE-8901399182 [0,0,0,0,0,1|2,0,1]=4 1013 B8R1.4 O=C1C=CC=C(N1)Cl MCULE-5990074384 [0,0,0,0,0,1|1,0,2]=4 1014 B8R1.4 O=C1C=CC=C(N1)I MCULE-7962501587 [0,0,0,0,0,1|1,0,2]=4 1015 B8R1.4 O=C1C=CNC(=O)C1 MCULE-7422070219 [0,0,0,0,0,1|1,0,2]=4 1016 B8R1.4 O=C1C=CNC(=O)O1 MCULE-3791093466 [0,0,0,0,0,1|1,0,2]=4 1017 B8R1.4 O=C1C=CNC(=[Se])N1 MCULE-7954757005 [0,0,0,0,0,1|0,1,2]=4 1018 B8R1.4 O=C1C=COC(=O)C1 MCULE-9289887221 [0,0,0,0,0,1|1,0,2]=4 1019 B8R1.4 O=C1CC(=O)NC=N1 MCULE-1818472509 [0,0,0,0,0,1|2,0,1]=4 1020 B8R1.4 O=C1CC(CCN1)F MCULE-3828280868 [0,0,0,0,0,1|2,0,1]=4 1021 B8R1.4 O=C1CC(CCN1)F MCULE-8150833328 [0,0,0,0,0,1|2,0,1]=4 1022 B8R1.4 O=C1CC(CCN1)O MCULE-5400068518 [0,0,0,0,0,1|1,0,2]=4 1023 B8R1.4 O=C1CC(CCN1)O MCULE-8702086069 [0,0,0,0,0,1|1,0,2]=4 1024 B8R1.4 O=C1CCCC(=O)C1 MCULE-7494421285 [0,0,0,0,0,1|1,0,0]=2 1025 B8R1.4 O=C1CCCC(=O)N1 MCULE-7505150579 [0,0,0,0,0,1|0,0,0]=1 1026 B8R1.4 O=C1CCCC(=O)O1 MCULE-4866925975 [0,0,0,0,0,1|1,0,0]=2 1027 B8R1.4 O=C1CCCC(C1)O MCULE-3100717907 [0,0,0,0,0,1|1,0,2]=4 1028 B8R1.4 O=C1CCC[C@@H](C1)O MCULE-3841179351 [0,0,0,0,0,1|1,0,2]=4 1029 B8R1.4 O=C1CCNC(=O)C1 MCULE-7662080105 [0,0,0,0,0,1|1,0,0]=2 1030 B8R1.4 O=C1CCNC(=O)N1 MCULE-8986910982 [0,0,0,0,0,1|0,0,0]=1 1031 B8R1.4 O=C1CCNC(=O)O1 MCULE-8298722634 [0,0,0,0,0,1|1,0,0]=2 1032 B8R1.4 O=C1CCOC(=O)C1 MCULE-3134133687 [0,0,0,0,0,1|1,0,0]=2 1033 B8R1.4 O=C1CNCC(=O)C1 MCULE-9390215509 [0,0,0,0,0,1|1,0,0]=2 1034 B8R1.4 O=C1CNCC(=O)C1 MCULE-9631657912 [0,0,0,0,0,1|1,0,0]=2 1035 B8R1.4 O=C1CNCC(=O)N1 MCULE-2684405909 [0,0,0,0,0,1|0,0,0]=1 1036 B8R1.4 O=C1CNCC(=O)N1 MCULE-8918860650 [0,0,0,0,0,1|0,0,0]=1 1037 B8R1.4 O=C1COCC(=O)C1 MCULE-1763175933 [0,0,0,0,0,1|1,0,0]=2 1038 B8R1.4 O=C1COCC(=O)N1 MCULE-2640203723 [0,0,0,0,0,1|0,0,0]=1 1039 B8R1.4 O=C1COCC(=O)O1 MCULE-7640970930 [0,0,0,0,0,1|1,0,0]=2 1040 B8R1.4 O=C1COCC(C1)O MCULE-6056926421 [0,0,0,0,0,1|1,0,2]=4 1041 B8R1.4 O=C1CSCC(=O)C1 MCULE-7749510849 [0,0,0,0,0,1|1,0,0]=2 1042 B8R1.4 O=C1CSCC(=O)N1 MCULE-5124635458 [0,0,0,0,0,1|0,0,0]=1 1043 B8R1.4 O=C1CSCC(=O)O1 MCULE-6767203470 [0,0,0,0,0,1|1,0,0]=2 1044 B8R1.4 O=C1C[C@@H](CCN1)O MCULE-8279613188 [0,0,0,0,0,1|1,0,2]=4 1045 B8R1.4 O=C1C[C@@H](CCN1)O MCULE-9911849866 [0,0,0,0,0,1|1,0,2]=4 1046 B8R1.4 O=C1C[C@H](CCN1)O MCULE-3843806479 [0,0,0,0,0,1|1,0,2]=4 1047 B8R1.4 O=C1C[C@H](CCN1)O MCULE-9127195212 [0,0,0,0,0,1|1,0,2]=4 1048 B8R1.4 O=C1N=CCC(=S)N1 MCULE-8510009070 [0,0,0,0,0,1|0,1,1]=3 1049 B8R1.4 O=C1N=CNC(=O)N1 MCULE-2256730820 [0,0,0,0,0,1|1,0,1]=3 1050 B8R1.4 O=C1NC(=S)CCS1 MCULE-5745642312 [0,0,0,0,0,1|0,1,0]=2 1051 B8R1.4 O=C1NCNC(=O)N1 MCULE-7478557250 [0,0,0,0,0,1|1,0,0]=2 1052 B8R1.4 O=C1NN=CC(=S)N1 MCULE-8520073366 [0,0,0,0,0,1|1,1,1]=4 1053 B8R1.4 O=C1[CH-]C(=O)COC1 MCULE-6235987509 [0,0,0,0,0,1|1,0,0]=2 1054 B8R1.4 O=C1[CH-]C(=O)COC1 MCULE-9016019550 [0,0,0,0,0,1|1,0,0]=2 1055 B8R1.4 S=C1CCSC(=S)N1 MCULE-9772893889 [0,0,0,0,0,1|0,2,0]=3 1056 B8R1.4 [C@@H]1(CCCC(=O)N1)C MCULE-8906937588 [0,0,0,0,0,1|1,0,1]=3 1057 B5R0.1 C/C=C/C(=O)C MCULE-2109656516 [1,0,1,0,0,0|1,0,0]=3 1058 B5R0.1 C/C=C/C(=O)Cl MCULE-8378824386 [1,0,1,0,0,0|2,0,0]=4 1059 B5R0.1 C/C=C/C(=O)N MCULE-2532228624 [1,0,1,0,0,0|1,0,1]=4 1060 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [1,0,1,0,0,0|2,0,0]=4 1061 B5R0.1 C=CCC(=N)N MCULE-6305125234 [1,0,1,0,0,0|1,0,1]=4 1062 B5R0.1 C=CCC(=O)Cl MCULE-6033189203 [1,0,1,0,0,0|1,0,1]=4 1063 B5R0.1 C=CCC(=O)N MCULE-1205335257 [1,0,1,0,0,0|0,0,1]=3 1064 B5R0.1 C=CCC(=O)O MCULE-6288979337 [1,0,1,0,0,0|1,0,1]=4 1065 B5R0.1 C=CNC(=O)C MCULE-1260296806 [1,0,1,0,0,0|0,0,1]=3 1066 B5R0.1 C=CNC(=O)N MCULE-4235216182 [1,0,1,0,0,0|1,0,1]=4 1067 B5R0.1 C=COC(=O)C MCULE-7626795765 [1,0,1,0,0,0|1,0,1]=4 1068 B5R0.1 C=NCC(=O)N MCULE-7609497329 [1,0,1,0,0,0|1,0,0]=3 1069 B5R0.1 C=NCC(=S)N MCULE-6261527142 [1,0,1,0,0,0|1,1,0]=4 1070 B5R0.1 CC#CC(=O)C MCULE-4083248904 [1,0,1,0,0,0|1,0,1]=4 1071 B5R0.1 CC(=CC=O)C MCULE-7002222435 [1,0,1,0,0,0|2,0,0]=4 1072 B5R0.1 CC(=CC=O)Cl MCULE-2279693190 [1,0,1,0,0,0|2,0,0]=4 1073 B5R0.1 CC(=CC=O)N MCULE-2659507627 [1,0,1,0,0,0|1,0,1]=4 1074 B5R0.1 CC(=O)C=C=O MCULE-4335598177 [1,0,1,0,0,0|1,0,1]=4 1075 B5R0.1 CC(=O)CCBr MCULE-2615300206 [1,0,1,0,0,0|2,0,0]=4 1076 B5R0.1 CC(=O)CCCl MCULE-8019748964 [1,0,1,0,0,0|2,0,0]=4 1077 B5R0.1 CC(=O)CCN MCULE-7550348751 [1,0,1,0,0,0|2,0,0]=4 1078 B5R0.1 CC(=O)CCN MCULE-9519063810 [1,0,1,0,0,0|2,0,0]=4 1079 B5R0.1 CC(=O)CCO MCULE-6328537335 [1,0,1,0,0,0|1,0,1]=4 1080 B5R0.1 CC(=O)N=S=O MCULE-1420371815 [1,0,1,0,0,0|1,0,1]=4 1081 B5R0.1 CC(=O)NC#N MCULE-8444599659 [1,0,1,0,0,0|1,0,1]=4 1082 B5R0.1 CC(=O)NCO MCULE-4563335540 [1,0,1,0,0,0|0,0,2]=4 1083 B5R0.1 CC(C)NC=O MCULE-1764010394 [1,0,1,0,0,0|1,0,1]=4 1084 B5R0.1 CC=CC(=O)C MCULE-4826977340 [1,0,1,0,0,0|1,0,0]=3 1085 B5R0.1 CC=CC(=O)Cl MCULE-2747622237 [1,0,1,0,0,0|2,0,0]=4 1086 B5R0.1 CC=CC(=O)N MCULE-9693879476 [1,0,1,0,0,0|1,0,1]=4 1087 B5R0.1 CC=CC(=O)O MCULE-7970410217 [1,0,1,0,0,0|2,0,0]=4 1088 B5R0.1 CCCC(=N)N MCULE-5974105638 [1,0,1,0,0,0|1,0,1]=4 1089 B5R0.1 CCCC(=N)N MCULE-9230704591 [1,0,1,0,0,0|1,0,1]=4 1090 B5R0.1 CCCC(=O)C MCULE-7174095676 [1,0,1,0,0,0|1,0,1]=4 1091 B5R0.1 CCCC(=O)Cl MCULE-3288175193 [1,0,1,0,0,0|1,0,1]=4 1092 B5R0.1 CCCC(=O)N MCULE-2712067671 [1,0,1,0,0,0|0,0,1]=3 1093 B5R0.1 CCCC(=O)O MCULE-4116382006 [1,0,1,0,0,0|1,0,1]=4 1094 B5R0.1 CCCC(=O)[O-] MCULE-8706538802 [1,0,1,0,0,0|1,0,1]=4 1095 B5R0.1 CCCC(=O)[O-] MCULE-9764702574 [1,0,1,0,0,0|1,0,1]=4 1096 B5R0.1 CCCC(=S)N MCULE-3529335988 [1,0,1,0,0,0|0,1,1]=4 1097 B5R0.1 CCNC(=O)C MCULE-7543656350 [1,0,1,0,0,0|0,0,1]=3 1098 B5R0.1 CCNC(=O)Cl MCULE-5831262934 [1,0,1,0,0,0|1,0,1]=4 1099 B5R0.1 CCNC(=O)N MCULE-1913599861 [1,0,1,0,0,0|1,0,1]=4 1100 B5R0.1 CCOC(=O)C MCULE-6628539781 [1,0,1,0,0,0|1,0,1]=4 1101 B5R0.1 CCOC(=O)N MCULE-1776877276 [1,0,1,0,0,0|1,0,1]=4 1102 B5R0.1 CCSC(=O)C MCULE-8015440229 [1,0,1,0,0,0|1,0,1]=4 1103 B5R0.1 CN(C)NC=O MCULE-1557896286 [1,0,1,0,0,0|2,0,0]=4 1104 B5R0.1 CNCC(=O)C MCULE-3695443024 [1,0,1,0,0,0|2,0,0]=4 1105 B5R0.1 CNCC(=O)C MCULE-7402723072 [1,0,1,0,0,0|2,0,0]=4 1106 B5R0.1 CNCC(=O)N MCULE-2328887394 [1,0,1,0,0,0|1,0,1]=4 1107 B5R0.1 CNCC(=O)N MCULE-3031605853 [1,0,1,0,0,0|1,0,1]=4 1108 B5R0.1 CNCC(=O)N MCULE-7300977677 [1,0,1,0,0,0|1,0,1]=4 1109 B5R0.1 CNOC(=O)C MCULE-1464426541 [1,0,1,0,0,0|2,0,0]=4 1110 B5R0.1 CNOC(=O)C MCULE-2976282666 [1,0,1,0,0,0|2,0,0]=4 1111 B5R0.1 COCC(=O)C MCULE-7262197587 [1,0,1,0,0,0|2,0,0]=4 1112 B5R0.1 COCC(=O)N MCULE-6674958132 [1,0,1,0,0,0|1,0,1]=4 1113 B5R0.1 CONC(=O)C MCULE-6601866630 [1,0,1,0,0,0|1,0,0]=3 1114 B5R0.1 CONC(=O)N MCULE-3063713861 [1,0,1,0,0,0|2,0,0]=4 1115 B5R0.1 CONC(=S)C MCULE-1876042939 [1,0,1,0,0,0|1,1,0]=4 1116 B5R0.1 CSCC(=O)C MCULE-4131794172 [1,0,1,0,0,0|2,0,0]=4 1117 B5R0.1 CSCC(=O)N MCULE-4865579476 [1,0,1,0,0,0|1,0,1]=4 1118 B5R0.1 CSNC(=O)C MCULE-7350061514 [1,0,1,0,0,0|1,0,0]=3 1119 B5R0.1 N#CCC(=O)N MCULE-8538286230 [1,0,1,0,0,0|1,0,1]=4 1120 B5R0.1 N=C(N)CCCl MCULE-2314996365 [1,0,1,0,0,0|2,0,0]=4 1121 B5R0.1 N=C(N)CCCl MCULE-3129838313 [1,0,1,0,0,0|2,0,0]=4 1122 B5R0.1 N=C(N)CCO MCULE-4567824707 [1,0,1,0,0,0|1,0,1]=4 1123 B5R0.1 N=C(N)CCO MCULE-7139693715 [1,0,1,0,0,0|1,0,1]=4 1124 B5R0.1 N=C(N)NC=O MCULE-2702198735 [1,0,1,0,0,0|2,0,0]=4 1125 B5R0.1 NC(=O)C=CCl MCULE-3595468874 [1,0,1,0,0,0|1,0,1]=4 1126 B5R0.1 NC(=O)CCBr MCULE-3930714776 [1,0,1,0,0,0|1,0,0]=3 1127 B5R0.1 NC(=O)CCCl MCULE-8300320959 [1,0,1,0,0,0|1,0,0]=3 1128 B5R0.1 NC(=O)CCO MCULE-4026170350 [1,0,1,0,0,0|0,0,1]=3 1129 B5R0.1 NC(=O)CCS MCULE-7451827717 [1,0,1,0,0,0|0,1,0]=3 1130 B5R0.1 NC(=O)NCO MCULE-7403641101 [1,0,1,0,0,0|1,0,1]=4 1131 B5R0.1 NC(=O)NN=O MCULE-2820469915 [1,0,1,0,0,0|2,0,0]=4 1132 B5R0.1 NCCC(=O)Cl MCULE-1298355499 [1,0,1,0,0,0|2,0,0]=4 1133 B5R0.1 NCCC(=O)N MCULE-2899414135 [1,0,1,0,0,0|1,0,0]=3 1134 B5R0.1 NCCC(=O)N MCULE-6993286668 [1,0,1,0,0,0|1,0,0]=3 1135 B5R0.1 NCCC(=O)O MCULE-1344289084 [1,0,1,0,0,0|2,0,0]=4 1136 B5R0.1 NCCC(=O)O MCULE-2298605337 [1,0,1,0,0,0|2,0,0]=4 1137 B5R0.1 NCCC(=O)O MCULE-9375577631 [1,0,1,0,0,0|2,0,0]=4 1138 B5R0.1 NCCC(=O)[O-] MCULE-2492250086 [1,0,1,0,0,0|2,0,0]=4 1139 B5R0.1 NNCC(=O)N MCULE-2794619708 [1,0,1,0,0,0|2,0,0]=4 1140 B5R0.1 NNCC(=O)N MCULE-6773156087 [1,0,1,0,0,0|2,0,0]=4 1141 B5R0.1 O=C(Cl)CCBr MCULE-4659506608 [1,0,1,0,0,0|2,0,0]=4 1142 B5R0.1 O=C(Cl)CCCl MCULE-3313924878 [1,0,1,0,0,0|2,0,0]=4 1143 B5R0.1 O=C(Cl)CCF MCULE-3316397790 [1,0,1,0,0,0|2,0,0]=4 1144 B5R0.1 O=C(O)CCBr MCULE-2816055853 [1,0,1,0,0,0|2,0,0]=4 1145 B5R0.1 O=C(O)CCCl MCULE-8511144183 [1,0,1,0,0,0|2,0,0]=4 1146 B5R0.1 O=C(O)CCF MCULE-4382025684 [1,0,1,0,0,0|2,0,0]=4 1147 B5R0.1 O=C(O)CCI MCULE-3371354708 [1,0,1,0,0,0|2,0,0]=4 1148 B5R0.1 O=C(O)CCO MCULE-3428604829 [1,0,1,0,0,0|1,0,1]=4 1149 B5R0.1 O=C(O)CCS MCULE-3211932163 [1,0,1,0,0,0|1,1,0]=4 1150 B5R0.1 O=C([O-])CCO MCULE-4429611588 [1,0,1,0,0,0|1,0,1]=4 1151 B5R0.2 C#CCCC=O MCULE-9994552907 [1,0,1,0,0,0|1,0,1]=4 1152 B5R0.2 C=C/C=C/CC MCULE-5996202716 [1,0,1,0,0,0|2,0,0]=4 1153 B5R0.2 C=CCCC=C MCULE-2599309974 [1,0,1,0,0,0|2,0,0]=4 1154 B5R0.2 C=CCCC=O MCULE-7850336174 [1,0,1,0,0,0|1,0,0]=3 1155 B5R0.2 C=CCCCN MCULE-5787926547 [1,0,1,0,0,0|1,0,1]=4 1156 B5R0.2 C=CCCCN MCULE-7346989227 [1,0,1,0,0,0|1,0,1]=4 1157 B5R0.2 C=CCCON MCULE-3476228435 [1,0,1,0,0,0|2,0,0]=4 1158 B5R0.2 C=CCCON MCULE-9206052895 [1,0,1,0,0,0|2,0,0]=4 1159 B5R0.2 C=CCNC=O MCULE-1911798514 [1,0,1,0,0,0|2,0,0]=4 1160 B5R0.2 C=CCOC=O MCULE-4161785970 [1,0,1,0,0,0|2,0,0]=4 1161 B5R0.2 CC/C=C/C=O MCULE-5102906061 [1,0,1,0,0,0|1,0,0]=3 1162 B5R0.2 CCC#CC=O MCULE-3889262436 [1,0,1,0,0,0|1,0,1]=4 1163 B5R0.2 CCC=CC=O MCULE-1318250395 [1,0,1,0,0,0|1,0,0]=3 1164 B5R0.2 CCCCC=O MCULE-4736782822 [1,0,1,0,0,0|1,0,1]=4 1165 B5R0.2 CCCNC=O MCULE-6344556391 [1,0,1,0,0,0|0,0,1]=3 1166 B5R0.2 CCCOC=O MCULE-3133604529 [1,0,1,0,0,0|1,0,1]=4 1167 B5R0.2 CCSCC=O MCULE-8069035019 [1,0,1,0,0,0|2,0,0]=4 1168 B5R0.2 COCCC=O MCULE-2812117208 [1,0,1,0,0,0|2,0,0]=4 1169 B5R0.2 CSCCC=O MCULE-6273241704 [1,0,1,0,0,0|2,0,0]=4 1170 B5R0.2 N#CCCC=O MCULE-9521735106 [1,0,1,0,0,0|0,0,2]=4 1171 B5R0.2 O=CCCC=O MCULE-3362810468 [1,0,1,0,0,0|0,0,0]=2 1172 B5R0.2 O=CCCC=O MCULE-3813951568 [1,0,1,0,0,0|0,0,0]=2 1173 B5R0.2 O=CCCCBr MCULE-7239613396 [1,0,1,0,0,0|1,0,1]=4 1174 B5R0.2 O=CCCCCl MCULE-3011225716 [1,0,1,0,0,0|1,0,1]=4 1175 B5R0.2 O=CCCCI MCULE-3153720790 [1,0,1,0,0,0|1,0,1]=4 1176 B5R0.2 O=CCCCO MCULE-8728420992 [1,0,1,0,0,0|0,0,2]=4 1177 B5R0.2 O=CNCCO MCULE-3688614090 [1,0,1,0,0,0|1,0,1]=4 1178 B5R0.2 O=CNNC=O MCULE-7634212643 [1,0,1,0,0,0|2,0,0]=4 1179 B5R0.3 C#CC(=O)CC MCULE-1563732373 [1,0,1,0,0,0|1,0,1]=4 1180 B5R0.3 C/C=C(/C)\CC MCULE-9789907985 [1,0,1,0,0,0|2,0,0]=4 1181 B5R0.3 C/C=C(\C)/C=O MCULE-2818872726 [1,0,1,0,0,0|1,0,1]=4 1182 B5R0.3 C/C=C(\C)/CC MCULE-7119786881 [1,0,1,0,0,0|2,0,0]=4 1183 B5R0.3 C=C(C=O)CC MCULE-2875154067 [1,0,1,0,0,0|1,0,0]=3 1184 B5R0.3 C=CC(=O)CC MCULE-7277696617 [1,0,1,0,0,0|1,0,0]=3 1185 B5R0.3 C=CC(=O)NC MCULE-5619481947 [1,0,1,0,0,0|2,0,0]=4 1186 B5R0.3 C=CC(=O)OC MCULE-6010665978 [1,0,1,0,0,0|2,0,0]=4 1187 B5R0.3 CC=C(Br)C=O MCULE-4703333701 [1,0,1,0,0,0|1,0,1]=4 1188 B5R0.3 CC=C(C)C=O MCULE-9453566957 [1,0,1,0,0,0|1,0,1]=4 1189 B5R0.3 CC=C(C)CC MCULE-5790494157 [1,0,1,0,0,0|2,0,0]=4 1190 B5R0.3 CCC(=O)CBr MCULE-7825573294 [1,0,1,0,0,0|1,0,1]=4 1191 B5R0.3 CCC(=O)CC MCULE-8236549739 [1,0,1,0,0,0|1,0,1]=4 1192 B5R0.3 CCC(=O)CCl MCULE-9019890380 [1,0,1,0,0,0|1,0,1]=4 1193 B5R0.3 CCC(=O)CN MCULE-1863418812 [1,0,1,0,0,0|1,0,1]=4 1194 B5R0.3 CCC(=O)CN MCULE-5831164340 [1,0,1,0,0,0|1,0,1]=4 1195 B5R0.3 CCC(=O)CO MCULE-8674894820 [1,0,1,0,0,0|0,0,2]=4 1196 B5R0.3 CCC(=O)NC MCULE-5612060170 [1,0,1,0,0,0|0,0,1]=3 1197 B5R0.3 CCC(=O)NN MCULE-1803705917 [1,0,1,0,0,0|1,0,0]=3 1198 B5R0.3 CCC(=O)NO MCULE-1033164448 [1,0,1,0,0,0|0,0,1]=3 1199 B5R0.3 CCC(=O)OC MCULE-7384824725 [1,0,1,0,0,0|1,0,1]=4 1200 B5R0.3 CCC(=O)SC MCULE-9712192191 [1,0,1,0,0,0|1,0,1]=4 1201 B5R0.3 CCC(Br)C=O MCULE-3064952987 [1,0,1,0,0,0|1,0,1]=4 1202 B5R0.3 CCC(C)C=O MCULE-2523669899 [1,0,1,0,0,0|1,0,1]=4 1203 B5R0.3 CCC(Cl)C=O MCULE-5238776091 [1,0,1,0,0,0|1,0,1]=4 1204 B5R0.3 CCN(C)C=O MCULE-2308681384 [1,0,1,0,0,0|2,0,0]=4 1205 B5R0.3 CNC(=O)CBr MCULE-1439209307 [1,0,1,0,0,0|1,0,1]=4 1206 B5R0.3 CNC(=O)CCl MCULE-1437904095 [1,0,1,0,0,0|1,0,1]=4 1207 B5R0.3 CNC(=O)CI MCULE-1687694185 [1,0,1,0,0,0|1,0,1]=4 1208 B5R0.3 CNC(=O)CN MCULE-1901033297 [1,0,1,0,0,0|1,0,1]=4 1209 B5R0.3 CNC(=O)CN MCULE-8532774234 [1,0,1,0,0,0|1,0,1]=4 1210 B5R0.3 CNC(=O)CO MCULE-5899226107 [1,0,1,0,0,0|1,0,1]=4 1211 B5R0.3 CNC(=O)CS MCULE-7032391129 [1,0,1,0,0,0|1,0,1]=4 1212 B5R0.3 CNC(=O)NC MCULE-5319497155 [1,0,1,0,0,0|1,0,1]=4 1213 B5R0.3 CNC(=O)NN MCULE-2093843774 [1,0,1,0,0,0|2,0,0]=4 1214 B5R0.3 CNC(=O)OC MCULE-1162861376 [1,0,1,0,0,0|1,0,1]=4 1215 B5R0.3 COC(=O)C=O MCULE-2685327079 [1,0,1,0,0,0|1,0,0]=3 1216 B5R0.3 COC(=O)NN MCULE-2637794839 [1,0,1,0,0,0|2,0,0]=4 1217 B5R0.3 NCC(=O)NN MCULE-2318099199 [1,0,1,0,0,0|2,0,0]=4 1218 B5R0.3 NCC(=O)NN MCULE-3392354502 [1,0,1,0,0,0|2,0,0]=4 1219 B5R0.3 NCC(=O)NO MCULE-5417617455 [1,0,1,0,0,0|1,0,1]=4 1220 B5R0.3 NNC(=O)CCl MCULE-2158347473 [1,0,1,0,0,0|2,0,0]=4 1221 B5R0.3 NNC(=O)CCl MCULE-9762553206 [1,0,1,0,0,0|2,0,0]=4 1222 B5R0.3 NNC(=O)CO MCULE-8443636349 [1,0,1,0,0,0|2,0,0]=4 1223 B5R0.3 NNC(=O)CS MCULE-4913925166 [1,0,1,0,0,0|2,0,0]=4 1224 B5R0.3 O=CC(=O)CO MCULE-7273475675 [1,0,1,0,0,0|1,0,0]=3 1225 B5R1.1 C1=CCC=C1 MCULE-1776679581 [2,0,0,0,0,0|1,0,1]=4 1226 B5R1.1 C1=CCCC1 MCULE-8785635218 [2,0,0,0,0,0|1,0,1]=4 1227 B5R1.1 C1=CNC=C1 MCULE-7417495535 [2,0,0,0,0,0|0,0,2]=4 1228 B5R1.1 C1=CNC=N1 MCULE-1256901064 [2,0,0,0,0,0|1,0,1]=4 1229 B5R1.1 C1=CNC=N1 MCULE-1410806694 [2,0,0,0,0,0|1,0,1]=4 1230 B5R1.1 C1=CNC=N1 MCULE-5649243123 [2,0,0,0,0,0|1,0,1]=4 1231 B5R1.1 C1=CNC=N1 MCULE-6335507586 [2,0,0,0,0,0|1,0,1]=4 1232 B5R1.1 C1=COCC1 MCULE-7714726225 [2,0,0,0,0,0|2,0,0]=4 1233 B5R1.1 C1=NCCN1 MCULE-6281004177 [2,0,0,0,0,0|1,0,1]=4 1234 B5R1.1 C1=NNCC1 MCULE-2270087414 [2,0,0,0,0,0|1,0,1]=4 1235 B5R1.1 C1CCNC1 MCULE-2816679267 [2,0,0,0,0,0|0,0,2]=4 1236 B5R1.1 C1CCNC1 MCULE-8439725600 [2,0,0,0,0,0|0,0,2]=4 1237 B5R1.1 C1CCNC1 MCULE-8653165010 [2,0,0,0,0,0|0,0,2]=4 1238 B5R1.1 C1CCNC1 MCULE-9053007443 [2,0,0,0,0,0|0,0,2]=4 1239 B5R1.1 C1CNNC1 MCULE-9192384720 [2,0,0,0,0,0|1,0,1]=4 1240 B5R1.1 C1CNNC1 MCULE-9418244562 [2,0,0,0,0,0|1,0,1]=4 1241 B5R1.1 C1CNOC1 MCULE-3922840312 [2,0,0,0,0,0|1,0,1]=4 1242 B5R1.1 C1CNOC1 MCULE-6084499894 [2,0,0,0,0,0|1,0,1]=4 1243 B7R0.2 C=CC(=O)NC(=O)N MCULE-8826369233 [0,1,1,0,0,0|0,0,2]=4 1244 B7R0.2 CC(=O)NC(=O)CBr MCULE-3222708274 [0,1,1,0,0,0|1,0,0]=3 1245 B7R0.2 CCC(=CC(=O)O)C MCULE-3864767099 [0,1,1,0,0,0|2,0,0]=4 1246 B7R0.2 CCC(=O)CC(=O)C MCULE-1892470405 [0,1,1,0,0,0|1,0,0]=3 1247 B7R0.2 CCC(=O)CC(=O)O MCULE-1083768149 [0,1,1,0,0,0|1,0,0]=3 1248 B7R0.2 CCC(=O)NC(=S)N MCULE-7487842736 [0,1,1,0,0,0|0,1,0]=3 1249 B7R0.2 CCC(=O)NC(C)C MCULE-3565002235 [0,1,1,0,0,0|1,0,1]=4 1250 B7R0.2 CCC(=O)OC(=O)C MCULE-8264492254 [0,1,1,0,0,0|1,0,0]=3 1251 B7R0.2 CCC(C)NC(=O)N MCULE-6186330882 [0,1,1,0,0,0|1,0,1]=4 1252 B7R0.2 CCS(=O)CC(=O)O MCULE-5648298475 [0,1,1,0,0,0|2,0,0]=4 1253 B7R0.2 CNC(=O)CC(=O)C MCULE-4316009681 [0,1,1,0,0,0|2,0,0]=4 1254 B7R0.2 CNC(=O)CC(=O)O MCULE-3506871336 [0,1,1,0,0,0|2,0,0]=4 1255 B7R0.2 CNC(=O)NC(=O)C MCULE-9100713966 [0,1,1,0,0,0|1,0,0]=3 1256 B7R0.2 CNC(=O)NC(=O)N MCULE-8107942434 [0,1,1,0,0,0|1,0,0]=3 1257 B7R0.2 COC(=O)CC(=O)C MCULE-1265364784 [0,1,1,0,0,0|2,0,0]=4 1258 B7R0.2 COC(=O)CC(=O)Cl MCULE-5016603273 [0,1,1,0,0,0|2,0,0]=4 1259 B7R0.2 COC(=O)CC(=O)N MCULE-7129379910 [0,1,1,0,0,0|2,0,0]=4 1260 B7R0.2 COC(=O)CC(=O)O MCULE-7983457925 [0,1,1,0,0,0|2,0,0]=4 1261 B7R0.2 COC(=O)CC(=O)[O-] MCULE-4316322156 [0,1,1,0,0,0|2,0,0]=4 1262 B7R0.2 N=C(N)NC(=O)CO MCULE-1435627041 [0,1,1,0,0,0|2,0,0]=4 1263 B7R0.2 NC(=O)NC(=O)CBr MCULE-4561848957 [0,1,1,0,0,0|1,0,0]=3 1264 B7R0.2 NC(=O)NC(=O)CCl MCULE-6047100495 [0,1,1,0,0,0|1,0,0]=3 1265 B7R0.2 O=C(Br)CC(=O)CBr MCULE-5776576043 [0,1,1,0,0,0|2,0,0]=4 1266 B7R0.2 O=C(Cl)CC(=O)CCl MCULE-6416318811 [0,1,1,0,0,0|2,0,0]=4 1267 B7R0.2 O=C(O)CC(=O)CCl MCULE-9671015150 [0,1,1,0,0,0|2,0,0]=4 1268 B7R0.2 O=C(O)CC(=O)CO MCULE-2224143705 [0,1,1,0,0,0|2,0,0]=4 1269 B7R0.3 C#CCNC(=O)CC MCULE-2258533582 [0,1,1,0,0,0|1,0,1]=4 1270 B7R0.3 C=CCCC(=O)CC MCULE-7933484898 [0,1,1,0,0,0|2,0,0]=4 1271 B7R0.3 C=CCNC(=O)CBr MCULE-5894560132 [0,1,1,0,0,0|2,0,0]=4 1272 B7R0.3 C=CCNC(=O)CCl MCULE-4830676670 [0,1,1,0,0,0|2,0,0]=4 1273 B7R0.3 C=CCNC(=O)CN MCULE-8221456161 [0,1,1,0,0,0|2,0,0]=4 1274 B7R0.3 C=CCNC(=O)CN MCULE-9764331326 [0,1,1,0,0,0|2,0,0]=4 1275 B7R0.3 C=CCNC(=O)CO MCULE-1240234665 [0,1,1,0,0,0|2,0,0]=4 1276 B7R0.3 C=CCNC(=O)CS MCULE-1040670812 [0,1,1,0,0,0|2,0,0]=4 1277 B7R0.3 CCC(=O)/C=C/C=O MCULE-5654548275 [0,1,1,0,0,0|1,0,0]=3 1278 B7R0.3 CCC(=O)C=CC=O MCULE-8246295239 [0,1,1,0,0,0|1,0,0]=3 1279 B7R0.3 CCC(=O)NCCN MCULE-3384406070 [0,1,1,0,0,0|1,0,1]=4 1280 B7R0.3 CCC(=O)NCCN MCULE-3992696592 [0,1,1,0,0,0|1,0,1]=4 1281 B7R0.3 CCC(=O)NCCN MCULE-4556462042 [0,1,1,0,0,0|1,0,1]=4 1282 B7R0.3 CCC(=O)NCCO MCULE-7351790148 [0,1,1,0,0,0|0,0,2]=4 1283 B7R0.3 COC(=O)C=CC=O MCULE-3663456611 [0,1,1,0,0,0|2,0,0]=4 1284 B7R0.3 COC(=O)CCC=O MCULE-2572188002 [0,1,1,0,0,0|2,0,0]=4 1285 B7R0.3 COC(=O)CNC=O MCULE-1485317532 [0,1,1,0,0,0|1,0,0]=3 1286 B7R0.5 CC(C)C(=O)NCO MCULE-4279406951 [0,1,1,0,0,0|0,0,2]=4 1287 B7R0.5 CCNC(=O)C(C)Br MCULE-4342500989 [0,1,1,0,0,0|1,0,1]=4 1288 B7R0.5 CCNC(=O)C(C)Cl MCULE-2094375104 [0,1,1,0,0,0|1,0,1]=4 1289 B7R0.5 CCNC(=O)C(C)N MCULE-7767946644 [0,1,1,0,0,0|1,0,1]=4 1290 B7R0.5 CCNC(=O)C(C)N MCULE-8324775088 [0,1,1,0,0,0|1,0,1]=4 1291 B7R0.5 CCNC(=O)C(C)N MCULE-9028977052 [0,1,1,0,0,0|1,0,1]=4 1292 B7R0.5 CCNC(=O)[C@H](C)N MCULE-1043080386 [0,1,1,0,0,0|1,0,1]=4 1293 B7R0.5 CCNC(=O)[C@H](C)O MCULE-9098995292 [0,1,1,0,0,0|1,0,1]=4 1294 B7R0.7 C/C=C/C(=O)OCC MCULE-8433823264 [0,1,1,0,0,0|2,0,0]=4 1295 B7R0.7 C=CCC(=O)OCC MCULE-2006542536 [0,1,1,0,0,0|2,0,0]=4 1296 B7R0.7 C=COC(=O)CCC MCULE-2764567967 [0,1,1,0,0,0|2,0,0]=4 1297 B7R0.7 CC=CC(=O)OCC MCULE-1904771513 [0,1,1,0,0,0|2,0,0]=4 1298 B7R0.7 CCNC(=O)CCCl MCULE-3246776319 [0,1,1,0,0,0|1,0,1]=4 1299 B7R0.7 CCNC(=O)CCN MCULE-2856252531 [0,1,1,0,0,0|1,0,1]=4 1300 B7R0.7 CCNC(=O)CCN MCULE-3929666209 [0,1,1,0,0,0|1,0,1]=4 1301 B7R0.7 CCNC(=O)CCO MCULE-3624072697 [0,1,1,0,0,0|1,0,1]=4 1302 B7R0.7 CCNC(=O)CNC MCULE-1939824251 [0,1,1,0,0,0|1,0,1]=4 1303 B7R0.7 CCNC(=O)CNC MCULE-2815515396 [0,1,1,0,0,0|1,0,1]=4 1304 B7R0.7 CCNC(=O)NCC MCULE-2253571388 [0,1,1,0,0,0|1,0,1]=4 1305 B7R0.7 CCNC(=O)OCC MCULE-3910060770 [0,1,1,0,0,0|1,0,1]=4 1306 B7R0.7 CCOC(=O)/C=C/I MCULE-4105665503 [0,1,1,0,0,0|2,0,0]=4 1307 B7R0.7 CCOC(=O)/C=C/O MCULE-1984925411 [0,1,1,0,0,0|1,0,1]=4 1308 B7R0.7 CCOC(=O)/C=C/[O-] MCULE-5625833261 [0,1,1,0,0,0|1,0,1]=4 1309 B7R0.7 CCOC(=O)/C=C\Br MCULE-7525620721 [0,1,1,0,0,0|2,0,0]=4 1310 B7R0.7 CCOC(=O)/C=C\I MCULE-4741067503 [0,1,1,0,0,0|2,0,0]=4 1311 B7R0.7 CCOC(=O)/C=C\N MCULE-1135242139 [0,1,1,0,0,0|2,0,0]=4 1312 B7R0.7 CCOC(=O)C=CBr MCULE-3778834856 [0,1,1,0,0,0|2,0,0]=4 1313 B7R0.7 CCOC(=O)C=CI MCULE-9930784067 [0,1,1,0,0,0|2,0,0]=4 1314 B7R0.7 CCOC(=O)C=CO MCULE-2570791221 [0,1,1,0,0,0|1,0,1]=4 1315 B7R0.7 CCOC(=O)C=C[O-] MCULE-8425740727 [0,1,1,0,0,0|1,0,1]=4 1316 B7R0.7 CCOC(=O)CC=O MCULE-5042552247 [0,1,1,0,0,0|1,0,0]=3 1317 B7R0.7 CCOC(=O)N=C=O MCULE-6030513409 [0,1,1,0,0,0|0,0,2]=4 1318 B7R0.7 CCOC(=O)N=S=O MCULE-2418866175 [0,1,1,0,0,0|1,0,1]=4 1319 B7R0.7 CCOC(=O)NCCl MCULE-9646468987 [0,1,1,0,0,0|1,0,1]=4 1320 B7R0.7 CCOC(=O)NCO MCULE-1265242244 [0,1,1,0,0,0|0,0,2]=4 1321 B7R0.7 CCOC(=O)NNC MCULE-8689837834 [0,1,1,0,0,0|2,0,0]=4 1322 B7R0.7 CCOC(=O)NOC MCULE-2256963329 [0,1,1,0,0,0|2,0,0]=4 1323 B7R0.7 CCOC(=O)[CH-]C=O MCULE-1944484299 [0,1,1,0,0,0|1,0,0]=3 1324 B7R0.7 CCOC(=O)[CH-]C=O MCULE-5022028224 [0,1,1,0,0,0|1,0,0]=3 1325 B7R0.7 O=CNC(=O)NC=O MCULE-8913644353 [0,1,1,0,0,0|1,0,1]=4 1326 B7R0.10 CCC(=O)N(C)CC MCULE-1764457516 [0,1,1,0,0,0|1,0,1]=4 1327 B7R0.10 CCC(=O)N(C)OC MCULE-7450696534 [0,1,1,0,0,0|2,0,0]=4 1328 B7R0.10 COC(=O)C(C)C=O MCULE-8461987901 [0,1,1,0,0,0|2,0,0]=4 1329 B7R0.10 COC(=O)C(Cl)C=O MCULE-1767241035 [0,1,1,0,0,0|2,0,0]=4 1330 B7R0.10 COC(=O)[C@H](C)C=O MCULE-9841785503 [0,1,1,0,0,0|2,0,0]=4 1331 B7R0.9 CC(=O)CS(=O)(=O)C MCULE-5686426572 [0,1,1,0,0,0|2,0,0]=4 1332 B7R0.9 CC(=O)NC(C)(C)C MCULE-7590749185 [0,1,1,0,0,0|1,0,1]=4 1333 B7R0.9 CC(=O)NS(=O)(=O)Cl MCULE-3658721510 [0,1,1,0,0,0|2,0,0]=4 1334 B7R0.9 CC(=O)N[Si](C)(C)C MCULE-1892187625 [0,1,1,0,0,0|1,1,0]=4 1335 B7R0.9 CC(=O)OS(=O)(=O)C MCULE-1489852585 [0,1,1,0,0,0|2,0,0]=4 1336 B7R0.9 CS(=O)(=O)NC(=O)N MCULE-7868605068 [0,1,1,0,0,0|2,0,0]=4 1337 B7R0.16 C=C(C)C(C)C(=O)C MCULE-2480790812 [0,1,1,0,0,0|2,0,0]=4 1338 B7R0.16 CC(=O)C(=C(C)[O-])C MCULE-1358390281 [0,1,1,0,0,0|1,0,1]=4 1339 B7R0.16 CC(=O)C(=C(C)[O-])C MCULE-6098819264 [0,1,1,0,0,0|1,0,1]=4 1340 B7R0.16 CC(=O)C(Br)C(=O)C MCULE-2980550700 [0,1,1,0,0,0|1,0,0]=3 1341 B7R0.16 CC(=O)C(C)C(=O)C MCULE-9607259412 [0,1,1,0,0,0|1,0,0]=3 1342 B7R0.16 CC(=O)C(Cl)C(=O)C MCULE-4716617423 [0,1,1,0,0,0|1,0,0]=3 1343 B7R0.16 CC(=O)C(F)C(=O)C MCULE-4665621902 [0,1,1,0,0,0|1,0,0]=3 1344 B7R0.16 CC(=O)C(N)C(=O)C MCULE-6440496769 [0,1,1,0,0,0|1,0,0]=3 1345 B7R0.16 CC(=O)C(N)C(=O)C MCULE-8525737264 [0,1,1,0,0,0|1,0,0]=3 1346 B7R0.16 CC(=O)N(C)C(=O)C MCULE-6245493539 [0,1,1,0,0,0|0,0,0]=2 1347 B7R0.16 CN(C(=O)Cl)C(=O)Cl MCULE-8169088410 [0,1,1,0,0,0|2,0,0]=4 1348 B7R0.4 C#CCCCC(=O)N MCULE-3927386617 [0,1,1,0,0,0|1,0,1]=4 1349 B7R0.4 C#CCCNC(=O)N MCULE-3889590992 [0,1,1,0,0,0|1,0,1]=4 1350 B7R0.4 C#CCCOC(=O)N MCULE-4721276092 [0,1,1,0,0,0|1,0,1]=4 1351 B7R0.4 C=C=CCCC(=O)O MCULE-4179366971 [0,1,1,0,0,0|2,0,0]=4 1352 B7R0.4 C=CCCCC(=O)Cl MCULE-9125909850 [0,1,1,0,0,0|2,0,0]=4 1353 B7R0.4 C=CCCCC(=O)O MCULE-6043142578 [0,1,1,0,0,0|2,0,0]=4 1354 B7R0.4 C=CCCOC(=O)C MCULE-4554969214 [0,1,1,0,0,0|2,0,0]=4 1355 B7R0.4 C=CCCOC(=O)Cl MCULE-1917342500 [0,1,1,0,0,0|2,0,0]=4 1356 B7R0.4 C=CCNCC(=O)O MCULE-2925626447 [0,1,1,0,0,0|2,0,0]=4 1357 B7R0.4 C=CCNCC(=O)O MCULE-6980667867 [0,1,1,0,0,0|2,0,0]=4 1358 B7R0.4 C=CCOCC(=O)O MCULE-1419435306 [0,1,1,0,0,0|2,0,0]=4 1359 B7R0.4 C=CCSCC(=O)O MCULE-1950424629 [0,1,1,0,0,0|2,0,0]=4 1360 B7R0.4 CC(=CCCC=O)C MCULE-3815388926 [0,1,1,0,0,0|2,0,0]=4 1361 B7R0.4 CC(=O)NCCC=O MCULE-1907633123 [0,1,1,0,0,0|1,0,0]=3 1362 B7R0.4 CC(=O)SCCC=O MCULE-3054558493 [0,1,1,0,0,0|1,0,0]=3 1363 B7R0.4 CC=CCCC(=O)O MCULE-4275247668 [0,1,1,0,0,0|2,0,0]=4 1364 B7R0.4 CCCCCC(=O)N MCULE-3215992514 [0,1,1,0,0,0|1,0,1]=4 1365 B7R0.4 CCCCNC(=O)N MCULE-3263036294 [0,1,1,0,0,0|1,0,1]=4 1366 B7R0.4 CCCCOC(=O)N MCULE-7719579696 [0,1,1,0,0,0|1,0,1]=4 1367 B7R0.4 CCCNCC(=O)N MCULE-2330202708 [0,1,1,0,0,0|1,0,1]=4 1368 B7R0.4 CCCNCC(=O)N MCULE-3731054780 [0,1,1,0,0,0|1,0,1]=4 1369 B7R0.4 CCNCCC(=O)N MCULE-4857735433 [0,1,1,0,0,0|1,0,1]=4 1370 B7R0.4 CCNCCC(=O)N MCULE-8238114591 [0,1,1,0,0,0|1,0,1]=4 1371 B7R0.4 CNCCCC(=O)N MCULE-8337447772 [0,1,1,0,0,0|1,0,1]=4 1372 B7R0.4 CNCCCC(=O)N MCULE-9037809827 [0,1,1,0,0,0|1,0,1]=4 1373 B7R0.4 COCCNC(=O)N MCULE-1380726553 [0,1,1,0,0,0|2,0,0]=4 1374 B7R0.4 COCCOC(=O)N MCULE-3401505850 [0,1,1,0,0,0|2,0,0]=4 1375 B7R0.4 CSCCNC(=O)N MCULE-7254695938 [0,1,1,0,0,0|2,0,0]=4 1376 B7R0.4 NC(=O)CCCCBr MCULE-4949681497 [0,1,1,0,0,0|1,0,1]=4 1377 B7R0.4 NC(=O)CCCCCl MCULE-7937142112 [0,1,1,0,0,0|1,0,1]=4 1378 B7R0.4 NC(=O)CCCCO MCULE-4820227146 [0,1,1,0,0,0|0,0,2]=4 1379 B7R0.4 NC(=O)COCCCl MCULE-1141300697 [0,1,1,0,0,0|1,0,1]=4 1380 B7R0.4 NC(=O)COCCO MCULE-3158372920 [0,1,1,0,0,0|0,0,2]=4 1381 B7R0.4 NC(=O)CSCCO MCULE-8225407259 [0,1,1,0,0,0|0,0,2]=4 1382 B7R0.4 NC(=O)NCCCO MCULE-3167491311 [0,1,1,0,0,0|0,0,2]=4 1383 B7R0.4 NCCCCC(=O)N MCULE-3198962228 [0,1,1,0,0,0|1,0,1]=4 1384 B7R0.4 NCCCCC(=O)N MCULE-7986221705 [0,1,1,0,0,0|1,0,1]=4 1385 B7R0.4 NCCCNC(=O)N MCULE-1109440921 [0,1,1,0,0,0|1,0,1]=4 1386 B7R0.4 NCCCNC(=O)N MCULE-3933221897 [0,1,1,0,0,0|1,0,1]=4 1387 B7R0.4 O=C(O)CCC=CBr MCULE-1826887170 [0,1,1,0,0,0|2,0,0]=4 1388 B7R0.4 O=C=NCCC(=O)Cl MCULE-4830401558 [0,1,1,0,0,0|1,0,1]=4 1389 B7R0.4 O=CCCCC(=O)O MCULE-8389457571 [0,1,1,0,0,0|1,0,0]=3 1390 B7R0.6 C=C(Br)CCC(=O)O MCULE-5257916083 [0,1,1,0,0,0|2,0,0]=4 1391 B7R0.6 C=C(C)CCC(=O)C MCULE-4201277876 [0,1,1,0,0,0|2,0,0]=4 1392 B7R0.6 C=C(C)CCC(=O)N MCULE-7602727888 [0,1,1,0,0,0|1,0,0]=3 1393 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [0,1,1,0,0,0|2,0,0]=4 1394 B7R0.6 C=C(Cl)CCC(=O)O MCULE-8617886776 [0,1,1,0,0,0|2,0,0]=4 1395 B7R0.6 CC(=O)CCC(=O)C MCULE-3166810473 [0,1,1,0,0,0|1,0,0]=3 1396 B7R0.6 CC(=O)CCC(=O)N MCULE-8943258659 [0,1,1,0,0,0|0,0,0]=2 1397 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [0,1,1,0,0,0|1,0,0]=3 1398 B7R0.6 CC(=O)CCC(=O)[O-] MCULE-4975344808 [0,1,1,0,0,0|1,0,0]=3 1399 B7R0.6 CC(=O)CCN(=O)=O MCULE-4726243654 [0,1,1,0,0,0|2,0,0]=4 1400 B7R0.6 CC(=O)CNC(=O)C MCULE-7941086302 [0,1,1,0,0,0|2,0,0]=4 1401 B7R0.6 CC(=O)CNC(=O)Cl MCULE-2043888982 [0,1,1,0,0,0|2,0,0]=4 1402 B7R0.6 CC(=O)COC(=O)C MCULE-2994552521 [0,1,1,0,0,0|2,0,0]=4 1403 B7R0.6 CC(=O)NCC(=O)Cl MCULE-3900899057 [0,1,1,0,0,0|2,0,0]=4 1404 B7R0.6 CC(=O)NCC(=O)N MCULE-7934502236 [0,1,1,0,0,0|1,0,0]=3 1405 B7R0.6 CC(=O)NCC(=O)O MCULE-5811325186 [0,1,1,0,0,0|2,0,0]=4 1406 B7R0.6 CC(=O)OCC(=O)Cl MCULE-3086938222 [0,1,1,0,0,0|2,0,0]=4 1407 B7R0.6 CC(=O)OCC(=O)O MCULE-6837320824 [0,1,1,0,0,0|2,0,0]=4 1408 B7R0.6 CC(=O)OCC(=S)N MCULE-7893306089 [0,1,1,0,0,0|1,1,0]=4 1409 B7R0.6 CC(=O)SCC(=O)O MCULE-1974657694 [0,1,1,0,0,0|2,0,0]=4 1410 B7R0.6 CC(C)CCC(=O)N MCULE-3571818514 [0,1,1,0,0,0|1,0,1]=4 1411 B7R0.6 CC(N)CCC(=O)O MCULE-3711689460 [0,1,1,0,0,0|1,0,1]=4 1412 B7R0.6 CC(N)CCC(=O)O MCULE-5008572656 [0,1,1,0,0,0|1,0,1]=4 1413 B7R0.6 CS(=O)CCC(=O)O MCULE-8243349779 [0,1,1,0,0,0|2,0,0]=4 1414 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-3295260637 [0,1,1,0,0,0|1,0,1]=4 1415 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-5409083898 [0,1,1,0,0,0|1,0,1]=4 1416 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-6530230723 [0,1,1,0,0,0|1,0,1]=4 1417 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-7530095699 [0,1,1,0,0,0|1,0,1]=4 1418 B7R0.6 C[C@H](N)CCC(=O)O MCULE-3621527632 [0,1,1,0,0,0|1,0,1]=4 1419 B7R0.6 C[C@H](N)CCC(=O)O MCULE-7670557122 [0,1,1,0,0,0|1,0,1]=4 1420 B7R0.6 N=C(N)NCC(=O)O MCULE-8180759180 [0,1,1,0,0,0|2,0,0]=4 1421 B7R0.6 N=C(N)NCC(=O)O MCULE-8327589872 [0,1,1,0,0,0|2,0,0]=4 1422 B7R0.6 N=C(N)SCC(=O)N MCULE-5295318661 [0,1,1,0,0,0|2,0,0]=4 1423 B7R0.6 N=C(N)SCC(=O)N MCULE-9179434239 [0,1,1,0,0,0|2,0,0]=4 1424 B7R0.6 N=C(N)SCC(=O)O MCULE-2089510220 [0,1,1,0,0,0|2,0,0]=4 1425 B7R0.6 N=C(N)SCC(=O)O MCULE-3427937751 [0,1,1,0,0,0|2,0,0]=4 1426 B7R0.6 NC(=O)/C=C/C(=O)N MCULE-4395066945 [0,1,1,0,0,0|0,0,2]=4 1427 B7R0.6 NC(=O)/C=C/C(=O)O MCULE-4042951919 [0,1,1,0,0,0|0,0,2]=4 1428 B7R0.6 NC(=O)/C=C\C(=O)O MCULE-9066996879 [0,1,1,0,0,0|0,0,2]=4 1429 B7R0.6 NC(=O)/N=N/C(=O)N MCULE-4339161906 [0,1,1,0,0,0|2,0,0]=4 1430 B7R0.6 NC(=O)C#CC(=O)N MCULE-4585775503 [0,1,1,0,0,0|0,0,2]=4 1431 B7R0.6 NC(=O)C=CC(=O)N MCULE-6392282813 [0,1,1,0,0,0|0,0,2]=4 1432 B7R0.6 NC(=O)C=CC(=O)O MCULE-2401877342 [0,1,1,0,0,0|0,0,2]=4 1433 B7R0.6 NC(=O)CCC(=O)N MCULE-2107382817 [0,1,1,0,0,0|0,0,0]=2 1434 B7R0.6 NC(=O)CCC(=O)O MCULE-5813999826 [0,1,1,0,0,0|0,0,0]=2 1435 B7R0.6 NC(=O)CNC(=S)N MCULE-6504333241 [0,1,1,0,0,0|1,1,0]=4 1436 B7R0.6 NC(=O)N=NC(=O)N MCULE-2129487615 [0,1,1,0,0,0|2,0,0]=4 1437 B7R0.6 NC(=O)NCC(=O)O MCULE-7640310218 [0,1,1,0,0,0|1,0,0]=3 1438 B7R0.6 NC(=O)NNC(=O)N MCULE-1306740070 [0,1,1,0,0,0|2,0,0]=4 1439 B7R0.6 NC(=O)SCC(=O)O MCULE-2409074226 [0,1,1,0,0,0|1,0,0]=3 1440 B7R0.6 NC(=S)NCC(=O)O MCULE-7421473219 [0,1,1,0,0,0|1,1,0]=4 1441 B7R0.6 O=C(Cl)CCC(=O)Cl MCULE-6220065982 [0,1,1,0,0,0|1,0,0]=3 1442 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [0,1,1,0,0,0|1,0,0]=3 1443 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [0,1,1,0,0,0|1,0,0]=3 1444 B7R0.6 O=C(O)CCN(=O)=O MCULE-1879231817 [0,1,1,0,0,0|2,0,0]=4 1445 B7R0.6 O=C([O-])CCC(=O)O MCULE-9149947862 [0,1,1,0,0,0|1,0,0]=3 1446 B7R0.6 O=C([O-])CCC(=O)[O-] MCULE-6304944077 [0,1,1,0,0,0|1,0,0]=3 1447 B7R0.8 C=CCCS(=O)(=O)N MCULE-5790165741 [0,1,1,0,0,0|2,0,0]=4 1448 B7R0.8 CS(=O)(=O)CCC=O MCULE-1821843669 [0,1,1,0,0,0|2,0,0]=4 1449 B7R1.1 O/N=C/1\CCCN1 MCULE-9494233692 [1,1,0,0,0,0|0,0,2]=4 1450 B7R1.1 O=CC1=CC=CN1 MCULE-4586543663 [1,1,0,0,0,0|0,0,2]=4 1451 B7R1.1 O=CC1=CCCC1 MCULE-2270030217 [1,1,0,0,0,0|1,0,1]=4 1452 B7R1.1 O=CC1=CN=CN1 MCULE-5099904928 [1,1,0,0,0,0|1,0,1]=4 1453 B7R1.1 O=CC1=NC=CN1 MCULE-7353417190 [1,1,0,0,0,0|1,0,1]=4 1454 B7R1.1 O=S=C1NC=CO1 MCULE-4980537256 [1,1,0,0,0,0|1,0,1]=4 1455 B7R1.4 C1(CCNC1=O)N MCULE-4906952813 [1,1,0,0,0,0|0,0,1]=3 1456 B7R1.4 C1(CCNC1=O)N MCULE-9500853209 [1,1,0,0,0,0|0,0,1]=3 1457 B7R1.4 C=C1CCNC1=O MCULE-2729105523 [1,1,0,0,0,0|0,0,2]=4 1458 B7R1.4 CC1=CCCC1=O MCULE-3713655264 [1,1,0,0,0,0|1,0,0]=3 1459 B7R1.4 CC1=CCOC1=O MCULE-9785490540 [1,1,0,0,0,0|2,0,0]=4 1460 B7R1.4 CC1C=NNC1=O MCULE-2547711142 [1,1,0,0,0,0|1,0,1]=4 1461 B7R1.4 CC1CCCC1=O MCULE-3710290162 [1,1,0,0,0,0|1,0,1]=4 1462 B7R1.4 CC1CCNC1=O MCULE-7799644249 [1,1,0,0,0,0|0,0,1]=3 1463 B7R1.4 CC1CCOC1=O MCULE-2223078294 [1,1,0,0,0,0|1,0,1]=4 1464 B7R1.4 CC1CNCC1=O MCULE-2728909327 [1,1,0,0,0,0|2,0,0]=4 1465 B7R1.4 CC1CNCC1=O MCULE-9172381840 [1,1,0,0,0,0|2,0,0]=4 1466 B7R1.4 CC1COCC1=O MCULE-8115238635 [1,1,0,0,0,0|2,0,0]=4 1467 B7R1.4 CC1CSCC1=O MCULE-5611423322 [1,1,0,0,0,0|2,0,0]=4 1468 B7R1.4 CC1NCCC1=O MCULE-4206844406 [1,1,0,0,0,0|2,0,0]=4 1469 B7R1.4 CC1NCCC1=O MCULE-7025918222 [1,1,0,0,0,0|2,0,0]=4 1470 B7R1.4 CC1OCCC1=O MCULE-8278816952 [1,1,0,0,0,0|2,0,0]=4 1471 B7R1.4 CC1SCCC1=O MCULE-5264322365 [1,1,0,0,0,0|2,0,0]=4 1472 B7R1.4 CN1C=CNC1=O MCULE-9198950029 [1,1,0,0,0,0|1,0,1]=4 1473 B7R1.4 CN1C=NNC1=O MCULE-2122203722 [1,1,0,0,0,0|2,0,0]=4 1474 B7R1.4 CN1CC=CC1=O MCULE-7879549885 [1,1,0,0,0,0|2,0,0]=4 1475 B7R1.4 CN1CCCC1=O MCULE-1381506705 [1,1,0,0,0,0|0,0,1]=3 1476 B7R1.4 CN1CCCC1=S MCULE-1990879544 [1,1,0,0,0,0|0,1,1]=4 1477 B7R1.4 CN1CCNC1=O MCULE-9774864412 [1,1,0,0,0,0|1,0,1]=4 1478 B7R1.4 CN1CCOC1=O MCULE-7467321799 [1,1,0,0,0,0|1,0,1]=4 1479 B7R1.4 CN1CNCC1=O MCULE-2252466841 [1,1,0,0,0,0|1,0,1]=4 1480 B7R1.4 CN1N=CCC1=O MCULE-2362806196 [1,1,0,0,0,0|1,0,1]=4 1481 B7R1.4 C[C@@H]1CCNC1=O MCULE-1037883660 [1,1,0,0,0,0|0,0,1]=3 1482 B7R1.4 C[C@H]1CCNC1=O MCULE-9500360544 [1,1,0,0,0,0|0,0,1]=3 1483 B7R1.4 NC1=CCOC1=O MCULE-9089854091 [1,1,0,0,0,0|2,0,0]=4 1484 B7R1.4 NC1CCCC1=O MCULE-3654949473 [1,1,0,0,0,0|1,0,1]=4 1485 B7R1.4 NC1CCCC1=O MCULE-6579965788 [1,1,0,0,0,0|1,0,1]=4 1486 B7R1.4 NC1CCNC1=O MCULE-2061829370 [1,1,0,0,0,0|0,0,1]=3 1487 B7R1.4 NC1CCNC1=O MCULE-4272585488 [1,1,0,0,0,0|0,0,1]=3 1488 B7R1.4 NC1CCOC1=O MCULE-1011670330 [1,1,0,0,0,0|1,0,1]=4 1489 B7R1.4 NC1CCOC1=O MCULE-1366805966 [1,1,0,0,0,0|1,0,1]=4 1490 B7R1.4 NC1CCOC1=O MCULE-1874490478 [1,1,0,0,0,0|1,0,1]=4 1491 B7R1.4 NC1CCOC1=O MCULE-4434379753 [1,1,0,0,0,0|1,0,1]=4 1492 B7R1.4 NC1CCOC1=O MCULE-7302633352 [1,1,0,0,0,0|1,0,1]=4 1493 B7R1.4 NC1CCOC1=O MCULE-8009953591 [1,1,0,0,0,0|1,0,1]=4 1494 B7R1.4 NC1CCSC1=O MCULE-5181497015 [1,1,0,0,0,0|1,0,1]=4 1495 B7R1.4 NC1CCSC1=O MCULE-8775141567 [1,1,0,0,0,0|1,0,1]=4 1496 B7R1.4 NC1CONC1=O MCULE-3118867985 [1,1,0,0,0,0|1,0,0]=3 1497 B7R1.4 NC1CONC1=O MCULE-3159218372 [1,1,0,0,0,0|1,0,0]=3 1498 B7R1.4 NN1C=NNC1=O MCULE-1613661520 [1,1,0,0,0,0|2,0,0]=4 1499 B7R1.4 NN1CCCC1=O MCULE-2994786381 [1,1,0,0,0,0|0,0,1]=3 1500 B7R1.4 NN1CCCC1=O MCULE-5599329775 [1,1,0,0,0,0|0,0,1]=3 1501 B7R1.4 NN1CCNC1=O MCULE-9094725216 [1,1,0,0,0,0|1,0,1]=4 1502 B7R1.4 NN1CCOC1=O MCULE-7407834106 [1,1,0,0,0,0|1,0,1]=4 1503 B7R1.4 NN1CCOC1=O MCULE-8091613930 [1,1,0,0,0,0|1,0,1]=4 1504 B7R1.4 N[C@@H]1CCNC1=O MCULE-2357766642 [1,1,0,0,0,0|0,0,1]=3 1505 B7R1.4 N[C@@H]1CCNC1=O MCULE-9089591546 [1,1,0,0,0,0|0,0,1]=3 1506 B7R1.4 N[C@@H]1CCNC1=O MCULE-9558758567 [1,1,0,0,0,0|0,0,1]=3 1507 B7R1.4 N[C@@H]1CCNC1=O MCULE-9668255740 [1,1,0,0,0,0|0,0,1]=3 1508 B7R1.4 N[C@@H]1CCOC1=O MCULE-1027751896 [1,1,0,0,0,0|1,0,1]=4 1509 B7R1.4 N[C@@H]1CCOC1=O MCULE-4034349263 [1,1,0,0,0,0|1,0,1]=4 1510 B7R1.4 N[C@@H]1CCOC1=O MCULE-8790782772 [1,1,0,0,0,0|1,0,1]=4 1511 B7R1.4 N[C@@H]1CCOC1=O MCULE-9300265861 [1,1,0,0,0,0|1,0,1]=4 1512 B7R1.4 N[C@@H]1CCSC1=O MCULE-1269968791 [1,1,0,0,0,0|1,0,1]=4 1513 B7R1.4 N[C@@H]1CCSC1=O MCULE-5374422420 [1,1,0,0,0,0|1,0,1]=4 1514 B7R1.4 N[C@@H]1CCSC1=O MCULE-8203732076 [1,1,0,0,0,0|1,0,1]=4 1515 B7R1.4 N[C@@H]1CCSC1=O MCULE-8418670804 [1,1,0,0,0,0|1,0,1]=4 1516 B7R1.4 N[C@@H]1CONC1=O MCULE-4212827696 [1,1,0,0,0,0|1,0,0]=3 1517 B7R1.4 N[C@@H]1CONC1=O MCULE-6014142329 [1,1,0,0,0,0|1,0,0]=3 1518 B7R1.4 N[C@H]1CCNC1=O MCULE-2327147408 [1,1,0,0,0,0|0,0,1]=3 1519 B7R1.4 N[C@H]1CCNC1=O MCULE-2923469662 [1,1,0,0,0,0|0,0,1]=3 1520 B7R1.4 N[C@H]1CCNC1=O MCULE-5882745021 [1,1,0,0,0,0|0,0,1]=3 1521 B7R1.4 N[C@H]1CCNC1=O MCULE-7846724738 [1,1,0,0,0,0|0,0,1]=3 1522 B7R1.4 N[C@H]1CCOC1=O MCULE-4393293388 [1,1,0,0,0,0|1,0,1]=4 1523 B7R1.4 N[C@H]1CCOC1=O MCULE-4751602783 [1,1,0,0,0,0|1,0,1]=4 1524 B7R1.4 N[C@H]1CCOC1=O MCULE-7924572479 [1,1,0,0,0,0|1,0,1]=4 1525 B7R1.4 N[C@H]1CCOC1=O MCULE-8545644747 [1,1,0,0,0,0|1,0,1]=4 1526 B7R1.4 N[C@H]1CCOC1=O MCULE-8634641228 [1,1,0,0,0,0|1,0,1]=4 1527 B7R1.4 N[C@H]1CCSC1=O MCULE-4497814170 [1,1,0,0,0,0|1,0,1]=4 1528 B7R1.4 N[C@H]1CCSC1=O MCULE-6209097230 [1,1,0,0,0,0|1,0,1]=4 1529 B7R1.4 N[C@H]1CCSC1=O MCULE-6419348515 [1,1,0,0,0,0|1,0,1]=4 1530 B7R1.4 N[C@H]1CCSC1=O MCULE-9091827364 [1,1,0,0,0,0|1,0,1]=4 1531 B7R1.4 N[C@H]1CONC1=O MCULE-4286940154 [1,1,0,0,0,0|1,0,0]=3 1532 B7R1.4 N[C@H]1CONC1=O MCULE-9925977120 [1,1,0,0,0,0|1,0,0]=3 1533 B7R1.4 O=C1CCC=C1Br MCULE-1509582125 [1,1,0,0,0,0|1,0,0]=3 1534 B7R1.4 O=C1CCC=C1I MCULE-2710048446 [1,1,0,0,0,0|1,0,0]=3 1535 B7R1.4 O=C1CCC=C1O MCULE-8745661989 [1,1,0,0,0,0|1,0,0]=3 1536 B7R1.4 O=C1CCCC1=O MCULE-8040167119 [1,1,0,0,0,0|1,0,1]=4 1537 B7R1.4 O=C1CCCC1Br MCULE-3651373380 [1,1,0,0,0,0|1,0,1]=4 1538 B7R1.4 O=C1CCCC1Cl MCULE-7745647260 [1,1,0,0,0,0|1,0,1]=4 1539 B7R1.4 O=C1CCCC1F MCULE-8001765295 [1,1,0,0,0,0|1,0,1]=4 1540 B7R1.4 O=C1CCCC1O MCULE-6795188798 [1,1,0,0,0,0|1,0,1]=4 1541 B7R1.4 O=C1CCNC1=O MCULE-6243503430 [1,1,0,0,0,0|0,0,2]=4 1542 B7R1.4 O=C1NCCC1Br MCULE-5321265801 [1,1,0,0,0,0|0,0,1]=3 1543 B7R1.4 O=C1NCCC1Cl MCULE-1663035789 [1,1,0,0,0,0|0,0,1]=3 1544 B7R1.4 O=C1NCCC1F MCULE-2209899044 [1,1,0,0,0,0|0,0,1]=3 1545 B7R1.4 O=C1NCCC1O MCULE-8818841339 [1,1,0,0,0,0|0,0,1]=3 1546 B7R1.4 O=C1NCCC1O MCULE-9662824811 [1,1,0,0,0,0|0,0,1]=3 1547 B7R1.4 O=C1NCC[C@@H]1O MCULE-3212474164 [1,1,0,0,0,0|0,0,1]=3 1548 B7R1.4 O=C1NCC[C@@H]1O MCULE-7816291255 [1,1,0,0,0,0|0,0,1]=3 1549 B7R1.4 O=C1NCC[C@H]1O MCULE-1281835510 [1,1,0,0,0,0|0,0,1]=3 1550 B7R1.4 O=C1NCC[C@H]1O MCULE-6809356348 [1,1,0,0,0,0|0,0,1]=3 1551 B7R1.4 O=C1OCC=C1Br MCULE-9287853531 [1,1,0,0,0,0|2,0,0]=4 1552 B7R1.4 O=C1OCCC1Br MCULE-8316114331 [1,1,0,0,0,0|1,0,1]=4 1553 B7R1.4 O=C1OCCC1O MCULE-2144002601 [1,1,0,0,0,0|1,0,1]=4 1554 B7R1.4 O=C1OCCC1S MCULE-2130434062 [1,1,0,0,0,0|1,0,1]=4 1555 B7R1.4 O=C1OCC[C@@H]1O MCULE-7764011790 [1,1,0,0,0,0|1,0,1]=4 1556 B7R1.4 O=C1OCC[C@@H]1O MCULE-9001729998 [1,1,0,0,0,0|1,0,1]=4 1557 B7R1.4 O=C1OCC[C@H]1O MCULE-6949645282 [1,1,0,0,0,0|1,0,1]=4 1558 B7R1.4 O=C1OCC[C@H]1O MCULE-7110242636 [1,1,0,0,0,0|1,0,1]=4 1559 B7R1.4 [NH3+][C@H]1CCOC1=O MCULE-8903471982 [1,1,0,0,0,0|1,0,1]=4 1560 B7R1.14 O=P1(C=CCC1)Cl MCULE-4153870806 [1,1,0,0,0,0|2,0,0]=4 1561 B7R1.14 O=S1(=O)C=CCC1 MCULE-7689521769 [1,1,0,0,0,0|2,0,0]=4 1562 B7R1.14 O=S1(=O)CCC=N1 MCULE-3928927688 [1,1,0,0,0,0|1,0,1]=4 1563 B7R1.14 O=S1(=O)CCCN1 MCULE-8201546192 [1,1,0,0,0,0|1,0,1]=4 1564 B7R1.8 CCC1CCC1=O MCULE-5109615435 [0,1,0,0,1,0|1,0,1]=4 1565 B7R1.8 COC1CCC1=O MCULE-6511996246 [0,1,0,0,1,0|0,0,2]=4 1566 B7R1.8 CSC1CCC1=O MCULE-3892720319 [0,1,0,0,1,0|0,1,1]=4 1567 B7R1.8 N#CC1CCC1=O MCULE-3371494435 [0,1,0,0,1,0|1,0,1]=4 1568 B7R1.8 O=C1CCC1CO MCULE-5501600764 [0,1,0,0,1,0|0,0,2]=4 1569 B7R1.8 O=C1CC[C@@H]1CO MCULE-9840363539 [0,1,0,0,1,0|0,0,2]=4 1570 B7R1.15 CC1CC(=O)C1C MCULE-1068922218 [0,1,0,0,1,0|1,0,1]=4 1571 B7R1.15 O=C1C=C(C1=O)O MCULE-3440355716 [0,1,0,0,1,0|0,0,2]=4 1572 B7R1.15 O=C1C=C(C1=O)[O-] MCULE-9991893223 [0,1,0,0,1,0|0,0,2]=4 1573 B7R1.17 CC1(CCC1=O)C MCULE-3723871956 [0,1,0,0,1,0|1,0,1]=4 1574 B7R1.17 O=C1CCC1(Br)Br MCULE-8976658449 [0,1,0,0,1,0|1,0,1]=4 1575 B7R1.17 O=C1CCC1(F)F MCULE-4827224161 [0,1,0,0,1,0|1,0,1]=4 1576 B7R1.10 C=CC1CC(=O)N1 MCULE-2790457728 [0,1,0,0,1,0|1,0,1]=4 1577 B7R1.10 NCC1CC(=O)N1 MCULE-6099913032 [0,1,0,0,1,0|1,0,1]=4 1578 B7R1.10 O=C1CC(N1)CI MCULE-8223453504 [0,1,0,0,1,0|1,0,1]=4 1579 B7R1.10 O=C1CC(N1)CO MCULE-5966757004 [0,1,0,0,1,0|0,0,2]=4 1580 B7R1.10 O=C1CC(N1)CO MCULE-7672639952 [0,1,0,0,1,0|0,0,2]=4 1581 B7R1.10 O=C1C[C@@H](N1)CO MCULE-7235908958 [0,1,0,0,1,0|0,0,2]=4 1582 B7R1.10 O=C1C[C@@H](N1)CO MCULE-9940834935 [0,1,0,0,1,0|0,0,2]=4 1583 B7R1.10 O=C1C[C@H](N1)CO MCULE-1643787736 [0,1,0,0,1,0|0,0,2]=4 1584 B7R1.16 CC1(CC(=O)N1)C MCULE-5555898363 [0,1,0,0,1,0|1,0,1]=4 1585 B7R1.16 O=C1CS(=O)(=O)C1 MCULE-9020745203 [0,1,0,0,1,0|2,0,0]=4 1586 B9R1.1 N#CC1=CNC(=O)NC1 MCULE-2895626671 [0,1,0,0,0,1|2,0,0]=4 1587 B9R1.1 NCC1CCC(=O)NC1 MCULE-5893065665 [0,1,0,0,0,1|1,0,1]=4 1588 B9R1.1 NCC1CCC(=O)NC1 MCULE-9881642861 [0,1,0,0,0,1|1,0,1]=4 1589 B9R1.1 NC[C@H]1CCC(=O)NC1 MCULE-9489755430 [0,1,0,0,0,1|1,0,1]=4 1590 B9R1.1 O=C1CCC(CN1)CBr MCULE-4686085649 [0,1,0,0,0,1|1,0,1]=4 1591 B9R1.1 O=C1CCC(CN1)CO MCULE-5019571847 [0,1,0,0,0,1|0,0,2]=4 1592 B9R1.1 O=CC1=CNC(=O)C=N1 MCULE-4119067496 [0,1,0,0,0,1|1,0,1]=4 1593 B9R1.1 O=CC1CCC(=O)CC1 MCULE-3607149578 [0,1,0,0,0,1|1,0,1]=4 1594 B9R1.1 O=CN1CCC(=O)CC1 MCULE-8700120367 [0,1,0,0,0,1|2,0,0]=4 1595 B9R1.10 CC1(CCC(=O)NC1)C MCULE-9831115400 [0,1,0,0,0,1|1,0,1]=4 1596 B9R1.10 CC1(CCC(=O)NC1)O MCULE-7575084639 [0,1,0,0,0,1|0,0,2]=4 1597 B9R1.10 O=C1C=CS(=O)(=O)CC1 MCULE-7430599828 [0,1,0,0,0,1|2,0,0]=4 1598 B9R1.10 O=C1CCC(CN1)(F)F MCULE-5822819851 [0,1,0,0,0,1|1,0,1]=4 1599 B9R1.10 O=C1CCS(=O)(=O)CC1 MCULE-5397121534 [0,1,0,0,0,1|2,0,0]=4 1600 B9R1.69 C=C1CCC(=O)NC1=O MCULE-9917847735 [0,1,0,0,0,1|1,0,0]=3 1601 B9R1.69 CC1=CC(=O)NNC1=O MCULE-6634066970 [0,1,0,0,0,1|0,0,2]=4 1602 B9R1.69 CC1=NN(C(=O)CC1)C MCULE-6057053372 [0,1,0,0,0,1|1,0,0]=3 1603 B9R1.69 CC1=NNC(=O)CC1C MCULE-3840929129 [0,1,0,0,0,1|1,0,0]=3 1604 B9R1.69 CC1=NNC(=O)N(C1)N MCULE-3336334312 [0,1,0,0,0,1|2,0,0]=4 1605 B9R1.69 CC1=NNC(=O)N(C1)N MCULE-3643228591 [0,1,0,0,0,1|2,0,0]=4 1606 B9R1.69 CC1CC(=O)CCC1=O MCULE-2258739718 [0,1,0,0,0,1|1,0,0]=3 1607 B9R1.69 CC1CCC(=O)N(C1)C MCULE-1335993518 [0,1,0,0,0,1|1,0,1]=4 1608 B9R1.69 CC1CCC(=O)NC1=O MCULE-4999120435 [0,1,0,0,0,1|1,0,1]=4 1609 B9R1.69 CC1NC(=O)CCC1N MCULE-2884344617 [0,1,0,0,0,1|1,0,1]=4 1610 B9R1.69 CC1NC(=O)CCC1O MCULE-3879531993 [0,1,0,0,0,1|0,0,2]=4 1611 B9R1.69 CC1NC(=O)CNC1=O MCULE-3674832613 [0,1,0,0,0,1|1,0,0]=3 1612 B9R1.69 CC1NC(=O)CNC1=O MCULE-9058910414 [0,1,0,0,0,1|1,0,0]=3 1613 B9R1.69 CC1OC(=O)COC1=O MCULE-8718960339 [0,1,0,0,0,1|2,0,0]=4 1614 B9R1.69 CN1CC(=O)CCC1=O MCULE-3870648341 [0,1,0,0,0,1|0,0,0]=2 1615 B9R1.69 CN1CC(=O)NCC1=O MCULE-2620095873 [0,1,0,0,0,1|1,0,0]=3 1616 B9R1.69 CN1CC(CCC1=O)N MCULE-3963982685 [0,1,0,0,0,1|1,0,1]=4 1617 B9R1.69 CN1CC(CCC1=O)N MCULE-5748915949 [0,1,0,0,0,1|1,0,1]=4 1618 B9R1.69 CN1CC(CCC1=O)N MCULE-6364341404 [0,1,0,0,0,1|1,0,1]=4 1619 B9R1.69 CN1CC(CCC1=O)O MCULE-4021195315 [0,1,0,0,0,1|0,0,2]=4 1620 B9R1.69 CN1CCC(=O)NC1=O MCULE-1338210074 [0,1,0,0,0,1|2,0,0]=4 1621 B9R1.69 CN1C[C@@H](CCC1=O)N MCULE-5278708810 [0,1,0,0,0,1|1,0,1]=4 1622 B9R1.69 CN1C[C@H](CCC1=O)N MCULE-3815293463 [0,1,0,0,0,1|1,0,1]=4 1623 B9R1.69 CN1C[C@H](CCC1=O)N MCULE-7566756339 [0,1,0,0,0,1|1,0,1]=4 1624 B9R1.69 CN1C[C@H](CCC1=O)N MCULE-7777098063 [0,1,0,0,0,1|1,0,1]=4 1625 B9R1.69 CN1C[C@H](CCC1=O)N MCULE-8273332398 [0,1,0,0,0,1|1,0,1]=4 1626 B9R1.69 C[C@@H]1NC(=O)CNC1=O MCULE-2449320004 [0,1,0,0,0,1|1,0,0]=3 1627 B9R1.69 C[C@@H]1NC(=O)CNC1=O MCULE-7629090482 [0,1,0,0,0,1|1,0,0]=3 1628 B9R1.69 C[C@H]1NC(=O)CNC1=O MCULE-5376605309 [0,1,0,0,0,1|1,0,0]=3 1629 B9R1.69 NC1=NC(=O)NCC1=O MCULE-2660856699 [0,1,0,0,0,1|1,0,1]=4 1630 B9R1.69 NC1CCC(=O)NC1=O MCULE-4373046338 [0,1,0,0,0,1|1,0,1]=4 1631 B9R1.69 NC1CCC(=O)NC1=O MCULE-5761090335 [0,1,0,0,0,1|1,0,1]=4 1632 B9R1.69 NC1CCC(=O)NC1=O MCULE-6512527532 [0,1,0,0,0,1|1,0,1]=4 1633 B9R1.69 NC1NC(=O)NC=C1F MCULE-6799586428 [0,1,0,0,0,1|2,0,0]=4 1634 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-2259559652 [0,1,0,0,0,1|1,0,1]=4 1635 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-5099911990 [0,1,0,0,0,1|1,0,1]=4 1636 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-5834100164 [0,1,0,0,0,1|1,0,1]=4 1637 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-9198243816 [0,1,0,0,0,1|1,0,1]=4 1638 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-2839925566 [0,1,0,0,0,1|1,0,1]=4 1639 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-4993857257 [0,1,0,0,0,1|1,0,1]=4 1640 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-5773933419 [0,1,0,0,0,1|1,0,1]=4 1641 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-7730306323 [0,1,0,0,0,1|1,0,1]=4 1642 B9R1.69 N[C@H]1C[C@H](CNC1=O)O MCULE-9955363059 [0,1,0,0,0,1|0,0,2]=4 1643 B9R1.69 O=C1CCC(C(=O)N1)Br MCULE-2957692520 [0,1,0,0,0,1|1,0,1]=4 1644 B9R1.69 O=C1NCC(=O)C(=O)N1 MCULE-3608761998 [0,1,0,0,0,1|1,0,0]=3 1645 B9R1.69 [NH3+]C1CCC(=O)NC1=O MCULE-8832573768 [0,1,0,0,0,1|1,0,1]=4 1646 B9R1.2 C#CC1=CC(=O)CCC1 MCULE-4235041240 [0,1,0,0,0,1|2,0,0]=4 1647 B9R1.2 CCC1=CC(=O)CCC1 MCULE-3934640256 [0,1,0,0,0,1|2,0,0]=4 1648 B9R1.2 CCC1CCCC(=O)N1 MCULE-7034650517 [0,1,0,0,0,1|1,0,1]=4 1649 B9R1.2 CCC1CNCC(=O)N1 MCULE-1768212982 [0,1,0,0,0,1|1,0,1]=4 1650 B9R1.2 CCC1COCC(=O)N1 MCULE-1841359305 [0,1,0,0,0,1|1,0,1]=4 1651 B9R1.2 CC[C@@H]1COCC(=O)N1 MCULE-9098123465 [0,1,0,0,0,1|1,0,1]=4 1652 B9R1.2 CC[C@H]1CNCC(=O)N1 MCULE-5604046217 [0,1,0,0,0,1|1,0,1]=4 1653 B9R1.2 COC1=CC(=O)CCC1 MCULE-7315684808 [0,1,0,0,0,1|1,0,1]=4 1654 B9R1.2 COC1CCCC(=O)N1 MCULE-3771491986 [0,1,0,0,0,1|0,0,2]=4 1655 B9R1.2 CSC1=NC(=O)CCN1 MCULE-9697046626 [0,1,0,0,0,1|0,1,1]=4 1656 B9R1.2 NCC1CCCC(=O)N1 MCULE-2515108436 [0,1,0,0,0,1|1,0,1]=4 1657 B9R1.2 NCC1CCCC(=O)N1 MCULE-2893640240 [0,1,0,0,0,1|1,0,1]=4 1658 B9R1.2 NCC1CCCC(=O)N1 MCULE-4568961930 [0,1,0,0,0,1|1,0,1]=4 1659 B9R1.2 NCC1CCNC(=O)N1 MCULE-7299072097 [0,1,0,0,0,1|1,0,1]=4 1660 B9R1.2 O=C1C=C(CCO1)CO MCULE-1101464960 [0,1,0,0,0,1|1,0,1]=4 1661 B9R1.2 O=C1CC(=NO)CCN1 MCULE-6345454324 [0,1,0,0,0,1|1,0,1]=4 1662 B9R1.2 O=C1CCCC(N1)CO MCULE-6546170250 [0,1,0,0,0,1|0,0,2]=4 1663 B9R1.2 O=C1CCC[C@@H](N1)CO MCULE-6845836782 [0,1,0,0,0,1|0,0,2]=4 1664 B9R1.2 O=C1CCC[C@H](N1)CO MCULE-2745722091 [0,1,0,0,0,1|0,0,2]=4 1665 B9R1.2 O=C1CCC[C@H](N1)CO MCULE-3358051383 [0,1,0,0,0,1|0,0,2]=4 1666 B9R1.2 O=C1CNC[C@H](N1)CO MCULE-7459264375 [0,1,0,0,0,1|0,0,2]=4 1667 B9R1.2 O=C1COCC(N1)CO MCULE-2108098178 [0,1,0,0,0,1|0,0,2]=4 1668 B9R1.2 O=C1COC[C@@H](N1)CO MCULE-1640734818 [0,1,0,0,0,1|0,0,2]=4 1669 B9R1.2 O=C1COC[C@@H](N1)CO MCULE-6633625871 [0,1,0,0,0,1|0,0,2]=4 1670 B9R1.2 O=CC1=CC=CC(=O)N1 MCULE-3898981854 [0,1,0,0,0,1|0,0,2]=4 1671 B9R1.3 CC1=C(C(=O)CCC1)C MCULE-2092030294 [0,1,0,0,0,1|2,0,0]=4 1672 B9R1.3 CC1=C(C(=O)CCC1)I MCULE-1524025435 [0,1,0,0,0,1|2,0,0]=4 1673 B9R1.3 CC1=C(C(=O)CCO1)O MCULE-4821746307 [0,1,0,0,0,1|2,0,0]=4 1674 B9R1.3 CC1=C(CCCC1=O)O MCULE-2811033912 [0,1,0,0,0,1|1,0,1]=4 1675 B9R1.3 CC1C(=O)CCCC1=O MCULE-6372223277 [0,1,0,0,0,1|1,0,0]=3 1676 B9R1.3 CC1CNCC(=O)N1C MCULE-6146515954 [0,1,0,0,0,1|1,0,1]=4 1677 B9R1.3 CC1CNCC(=O)N1C MCULE-6324850501 [0,1,0,0,0,1|1,0,1]=4 1678 B9R1.3 CN1C(=O)C=CNC1=O MCULE-5392412214 [0,1,0,0,0,1|0,0,2]=4 1679 B9R1.3 CN1C(=O)C=NNC1=O MCULE-6864350387 [0,1,0,0,0,1|1,0,1]=4 1680 B9R1.3 CN1C(=O)CCCC1=O MCULE-4787684091 [0,1,0,0,0,1|0,0,0]=2 1681 B9R1.3 CN1C(=O)CNCC1=O MCULE-1069132233 [0,1,0,0,0,1|0,0,0]=2 1682 B9R1.3 CN1C(=O)CNCC1=O MCULE-4060585109 [0,1,0,0,0,1|0,0,0]=2 1683 B9R1.3 CN1C(=O)CNCC1=O MCULE-8726062423 [0,1,0,0,0,1|0,0,0]=2 1684 B9R1.3 C[C@@H]1CNCC(=O)N1C MCULE-2631912609 [0,1,0,0,0,1|1,0,1]=4 1685 B9R1.3 C[C@@H]1CNCC(=O)N1C MCULE-3626784899 [0,1,0,0,0,1|1,0,1]=4 1686 B9R1.3 C[C@@H]1CNCC(=O)N1C MCULE-5129830315 [0,1,0,0,0,1|1,0,1]=4 1687 B9R1.3 C[C@@H]1CNCC(=O)N1C MCULE-9747041418 [0,1,0,0,0,1|1,0,1]=4 1688 B9R1.3 C[C@H]1CNCC(=O)N1C MCULE-1364393332 [0,1,0,0,0,1|1,0,1]=4 1689 B9R1.3 C[C@H]1CNCC(=O)N1C MCULE-4965977180 [0,1,0,0,0,1|1,0,1]=4 1690 B9R1.3 C[C@H]1CNCC(=O)N1C MCULE-5863604180 [0,1,0,0,0,1|1,0,1]=4 1691 B9R1.3 C[C@H]1CNCC(=O)N1C MCULE-8897457682 [0,1,0,0,0,1|1,0,1]=4 1692 B9R1.3 NN1C(=O)C=NNC1=O MCULE-5939036900 [0,1,0,0,0,1|1,0,1]=4 1693 B9R1.3 O=C1CCCC(=C1Br)O MCULE-8690607372 [0,1,0,0,0,1|1,0,1]=4 1694 B9R1.3 O=C1CCCC(=C1Cl)O MCULE-2266106107 [0,1,0,0,0,1|1,0,1]=4 1695 B9R1.3 O=C1CCCC(=C1F)O MCULE-5456728328 [0,1,0,0,0,1|1,0,1]=4 1696 B9R1.3 O=C1CCCC(=C1I)O MCULE-5138602231 [0,1,0,0,0,1|1,0,1]=4 1697 B9R1.3 O=C1CCCC(=O)C1Br MCULE-7816833236 [0,1,0,0,0,1|1,0,0]=3 1698 B9R1.3 O=C1CCCC(=O)C1Cl MCULE-7334645492 [0,1,0,0,0,1|1,0,0]=3 1699 B9R1.3 O=C1CCCC(=O)N1Br MCULE-4460128380 [0,1,0,0,0,1|0,0,0]=2 1700 B9R1.34 CC1=CC(=O)CC(C1)C MCULE-4391727742 [0,1,0,0,0,1|2,0,0]=4 1701 B9R1.34 CC1=CC(CC(=O)C1)C MCULE-3058901389 [0,1,0,0,0,1|2,0,0]=4 1702 B9R1.34 CC1=CC(CC(=O)O1)O MCULE-2892113646 [0,1,0,0,0,1|2,0,0]=4 1703 B9R1.34 CC1CC(=CC(=O)O1)O MCULE-3566980219 [0,1,0,0,0,1|1,0,1]=4 1704 B9R1.34 CC1CC(=O)C=C(C1)N MCULE-4451452781 [0,1,0,0,0,1|2,0,0]=4 1705 B9R1.34 CC1CC(=O)CC(=O)C1 MCULE-9077952779 [0,1,0,0,0,1|1,0,0]=3 1706 B9R1.34 CC1CC(=O)CC(=O)N1 MCULE-4178844211 [0,1,0,0,0,1|1,0,0]=3 1707 B9R1.34 CC1CC(=O)CC(=O)O1 MCULE-8800349509 [0,1,0,0,0,1|1,0,0]=3 1708 B9R1.34 CC1CC(=O)NC(=O)N1 MCULE-2066103800 [0,1,0,0,0,1|0,0,0]=2 1709 B9R1.34 CC1CC(=O)NC(=S)N1 MCULE-3560554851 [0,1,0,0,0,1|0,1,0]=3 1710 B9R1.34 CC1CC(=O)OC(=O)C1 MCULE-7493778576 [0,1,0,0,0,1|1,0,0]=3 1711 B9R1.34 CN1CC(=O)NC(=O)C1 MCULE-9312522895 [0,1,0,0,0,1|0,0,0]=2 1712 B9R1.34 CN1CC(=O)OC(=O)C1 MCULE-5682675378 [0,1,0,0,0,1|1,0,0]=3 1713 B9R1.34 C[C@H]1CC(=O)CC(=O)N1 MCULE-6238430821 [0,1,0,0,0,1|1,0,0]=3 1714 B9R1.34 NC1=NC(=O)CC(=O)N1 MCULE-4304162919 [0,1,0,0,0,1|1,0,1]=4 1715 B9R1.34 NC1CC(=O)NC(=O)C1 MCULE-6382091482 [0,1,0,0,0,1|0,0,0]=2 1716 B9R1.34 NC1CC(=O)NC(=O)C1 MCULE-9933185634 [0,1,0,0,0,1|0,0,0]=2 1717 B9R1.34 O=C1C=C(NC(=O)N1)Br MCULE-3840650924 [0,1,0,0,0,1|0,0,2]=4 1718 B9R1.34 O=C1C=C(NC(=O)N1)Cl MCULE-2281590199 [0,1,0,0,0,1|0,0,2]=4 1719 B9R1.34 O=C1C=C(NC(=O)N1)F MCULE-4457115383 [0,1,0,0,0,1|0,0,2]=4 1720 B9R1.34 O=C1C=C(NC(=O)N1)I MCULE-4986004483 [0,1,0,0,0,1|0,0,2]=4 1721 B9R1.34 O=C1CC(=NC(=O)N1)[O-] MCULE-5852182390 [0,1,0,0,0,1|0,0,1]=3 1722 B9R1.34 O=C1CC(=O)NC(=O)N1 MCULE-3947237773 [0,1,0,0,0,1|0,0,1]=3 1723 B9R1.34 O=C1CC(=O)NC(=S)N1 MCULE-6314984434 [0,1,0,0,0,1|0,1,1]=4 1724 B9R1.34 O=C1CC(=O)OC(=O)C1 MCULE-9015105238 [0,1,0,0,0,1|1,0,0]=3 1725 B9R1.34 O=C1N=C(NC(=O)N1)Cl MCULE-5015398867 [0,1,0,0,0,1|1,0,1]=4 1726 B9R1.66 CC1(CCCC(=O)N1)C MCULE-9506005736 [0,1,0,0,0,1|1,0,1]=4 1727 B9R1.66 CC1(CNCC(=O)N1)C MCULE-1640277430 [0,1,0,0,0,1|1,0,1]=4 1728 B9R1.66 CC1(CNCC(=O)N1)C MCULE-6894196220 [0,1,0,0,0,1|1,0,1]=4 1729 B9R1.66 CC1(COCC(=O)N1)C MCULE-4764218630 [0,1,0,0,0,1|1,0,1]=4 1730 B9R1.66 O=C1CCCS(=O)(=O)C1 MCULE-5523551731 [0,1,0,0,0,1|2,0,0]=4 1731 B9R1.66 O=C1CCCS(=O)(=O)N1 MCULE-4670322076 [0,1,0,0,0,1|1,0,0]=3 1732 B9R1.66 O=C1CS(=O)(=O)CCN1 MCULE-7263537050 [0,1,0,0,0,1|2,0,0]=4 1733 B9R1.7 CCOC1=CC(=O)CC1 MCULE-4336671577 [0,2,0,0,0,0|1,0,1]=4 1734 B9R1.7 CCOC1CCC(=O)N1 MCULE-6221129998 [0,2,0,0,0,0|0,0,2]=4 1735 B9R1.7 CNCC1CCC(=O)N1 MCULE-3081580104 [0,2,0,0,0,0|1,0,1]=4 1736 B9R1.7 CNC[C@@H]1CCC(=O)N1 MCULE-2568268658 [0,2,0,0,0,0|1,0,1]=4 1737 B9R1.7 CNC[C@@H]1CCC(=O)N1 MCULE-3483815914 [0,2,0,0,0,0|1,0,1]=4 1738 B9R1.7 N#CC=C1NC(=O)CS1 MCULE-1181466377 [0,2,0,0,0,0|2,0,0]=4 1739 B9R1.7 N#CCC1CCC(=O)N1 MCULE-1936081162 [0,2,0,0,0,0|1,0,1]=4 1740 B9R1.7 N#CC[C@@H]1CCC(=O)N1 MCULE-6728125451 [0,2,0,0,0,0|1,0,1]=4 1741 B9R1.7 N#CC[C@H]1CCC(=O)N1 MCULE-1463443311 [0,2,0,0,0,0|1,0,1]=4 1742 B9R1.7 N#CC[C@H]1CCC(=O)N1 MCULE-3830054780 [0,2,0,0,0,0|1,0,1]=4 1743 B9R1.7 NCCC1CCC(=O)N1 MCULE-5980289637 [0,2,0,0,0,0|1,0,1]=4 1744 B9R1.7 NCC[C@@H]1CCC(=O)N1 MCULE-8053535061 [0,2,0,0,0,0|1,0,1]=4 1745 B9R1.7 O=C1CCC(N1)CCO MCULE-8691061986 [0,2,0,0,0,0|0,0,2]=4 1746 B9R1.7 O=C1CC[C@H](N1)CCO MCULE-7396523836 [0,2,0,0,0,0|0,0,2]=4 1747 B9R1.7 O=C1CC[C@H](N1)CCO MCULE-8307506069 [0,2,0,0,0,0|0,0,2]=4 1748 B9R1.21 O=CC1=CC=C(N1)C=O MCULE-2450190034 [0,2,0,0,0,0|0,0,2]=4 1749 B9R1.22 CC1CC(=O)NC1CO MCULE-1890923185 [0,2,0,0,0,0|0,0,2]=4 1750 B9R1.22 CCC1NC(=O)NC1=O MCULE-7573161756 [0,2,0,0,0,0|1,0,0]=3 1751 B9R1.22 CCN1CC(=O)NC1=O MCULE-1851701594 [0,2,0,0,0,0|1,0,0]=3 1752 B9R1.22 CC[C@@H]1NC(=O)OC1=O MCULE-8362688943 [0,2,0,0,0,0|2,0,0]=4 1753 B9R1.22 CC[C@H]1NC(=O)OC1=O MCULE-2218316523 [0,2,0,0,0,0|2,0,0]=4 1754 B9R1.22 C[C@@H]1CC(=O)N[C@@H]1CO MCULE-7022189173 [0,2,0,0,0,0|0,0,2]=4 1755 B9R1.22 C[C@@H]1CC(=O)N[C@H]1CO MCULE-2239273281 [0,2,0,0,0,0|0,0,2]=4 1756 B9R1.22 C[C@H]1CC(=O)N[C@@H]1CO MCULE-6299915210 [0,2,0,0,0,0|0,0,2]=4 1757 B9R1.22 C[C@H]1CC(=O)N[C@H]1CO MCULE-9870605893 [0,2,0,0,0,0|0,0,2]=4 1758 B9R1.22 NCC1CC(=O)NC1=O MCULE-4273797051 [0,2,0,0,0,0|0,0,0]=2 1759 B9R1.22 NCC1CC(=O)NC1=O MCULE-5127529700 [0,2,0,0,0,0|0,0,0]=2 1760 B9R1.22 NCC1NC(=O)NC1=O MCULE-3949033042 [0,2,0,0,0,0|1,0,0]=3 1761 B9R1.22 O=C1NC(=O)/C(=C\Br)/N1 MCULE-7888734075 [0,2,0,0,0,0|1,0,1]=4 1762 B9R1.22 O=C1NC(=O)C(=CBr)N1 MCULE-4118151888 [0,2,0,0,0,0|1,0,1]=4 1763 B9R1.22 O=C1NC(=O)C(N1)CO MCULE-3745105690 [0,2,0,0,0,0|1,0,0]=3 1764 B9R1.22 O=C1NC(=O)[C@@H](N1)CO MCULE-4356522352 [0,2,0,0,0,0|1,0,0]=3 1765 B9R1.22 O=C1N[C@@H](C(=O)O1)CCl MCULE-3047027162 [0,2,0,0,0,0|2,0,0]=4 1766 B9R1.22 O=C1N[C@H](C(=O)O1)CCl MCULE-4583448386 [0,2,0,0,0,0|2,0,0]=4 1767 B9R1.35 C1(CCC(=O)C1)C(=O)O MCULE-7485965564 [0,2,0,0,0,0|1,0,1]=4 1768 B9R1.35 C1(CCC(=O)O1)C(=O)O MCULE-6663255579 [0,2,0,0,0,0|1,0,1]=4 1769 B9R1.35 CC(=O)C1CCC(=O)O1 MCULE-5049805875 [0,2,0,0,0,0|1,0,1]=4 1770 B9R1.35 CC(=O)N1CCC(=O)C1 MCULE-3924044267 [0,2,0,0,0,0|2,0,0]=4 1771 B9R1.35 CC(C)C1CCC(=O)N1 MCULE-4396910868 [0,2,0,0,0,0|1,0,1]=4 1772 B9R1.35 CC(C)[C@@H]1CCC(=O)N1 MCULE-8463254156 [0,2,0,0,0,0|1,0,1]=4 1773 B9R1.35 CC(C)[C@@H]1CCC(=O)N1 MCULE-9798698843 [0,2,0,0,0,0|1,0,1]=4 1774 B9R1.35 CC(C)[C@H]1CCC(=O)N1 MCULE-1275403270 [0,2,0,0,0,0|1,0,1]=4 1775 B9R1.35 NC(=O)C1CCC(=O)N1 MCULE-1717146839 [0,2,0,0,0,0|0,0,1]=3 1776 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 MCULE-5928054942 [0,2,0,0,0,0|0,0,1]=3 1777 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 MCULE-8978218986 [0,2,0,0,0,0|0,0,1]=3 1778 B9R1.35 O=C1C=C(CC1)C(=O)O MCULE-7681373121 [0,2,0,0,0,0|1,0,0]=3 1779 B9R1.35 O=C1CCC(C1)C(=O)O MCULE-8715651663 [0,2,0,0,0,0|1,0,1]=4 1780 B9R1.35 O=C1CCC(N1)C(=O)Cl MCULE-7943877958 [0,2,0,0,0,0|0,0,1]=3 1781 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-4175874303 [0,2,0,0,0,0|0,0,1]=3 1782 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-9028773140 [0,2,0,0,0,0|0,0,1]=3 1783 B9R1.35 O=C1CCC(N1)C(=O)[O-] MCULE-1554748470 [0,2,0,0,0,0|0,0,1]=3 1784 B9R1.35 O=C1CCC(O1)C(=O)O MCULE-1992756541 [0,2,0,0,0,0|1,0,1]=4 1785 B9R1.35 O=C1CCC(S1)C(=O)O MCULE-8929436839 [0,2,0,0,0,0|1,0,1]=4 1786 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-1554776363 [0,2,0,0,0,0|1,0,1]=4 1787 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-4649943680 [0,2,0,0,0,0|1,0,1]=4 1788 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-5900221010 [0,2,0,0,0,0|0,0,1]=3 1789 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-8170238114 [0,2,0,0,0,0|0,0,1]=3 1790 B9R1.35 O=C1CC[C@@H](O1)C(=O)Cl MCULE-2420158992 [0,2,0,0,0,0|1,0,1]=4 1791 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-1446049605 [0,2,0,0,0,0|1,0,1]=4 1792 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-6745317325 [0,2,0,0,0,0|1,0,1]=4 1793 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-6597072682 [0,2,0,0,0,0|1,0,1]=4 1794 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-7880064966 [0,2,0,0,0,0|1,0,1]=4 1795 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4204877494 [0,2,0,0,0,0|0,0,1]=3 1796 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4908547112 [0,2,0,0,0,0|0,0,1]=3 1797 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-6422141688 [0,2,0,0,0,0|0,0,1]=3 1798 B9R1.35 O=C1CC[C@H](N1)C(=O)[O-] MCULE-2892153827 [0,2,0,0,0,0|0,0,1]=3 1799 B9R1.35 O=C1CC[C@H](N1)C(=O)[O-] MCULE-8083669516 [0,2,0,0,0,0|0,0,1]=3 1800 B9R1.35 O=C1CC[C@H](O1)C(=O)Cl MCULE-2111028314 [0,2,0,0,0,0|1,0,1]=4 1801 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-5669975621 [0,2,0,0,0,0|1,0,1]=4 1802 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-7113736527 [0,2,0,0,0,0|1,0,1]=4 1803 B9R1.35 O=C1CC[C@H](S1)C(=O)O MCULE-4843749267 [0,2,0,0,0,0|1,0,1]=4 1804 B9R1.35 O=C1NC(=CO1)C(=O)O MCULE-2610586771 [0,2,0,0,0,0|1,0,1]=4 1805 B9R1.35 O=C1NC(=CS1)C(=O)O MCULE-6848220699 [0,2,0,0,0,0|1,0,1]=4 1806 B9R1.35 O=C1NC(=NO1)C(=O)O MCULE-5897124585 [0,2,0,0,0,0|2,0,0]=4 1807 B9R1.35 O=C1NC(CO1)C(=O)O MCULE-5946769187 [0,2,0,0,0,0|1,0,1]=4 1808 B9R1.35 O=C1NC(CS1)C(=O)O MCULE-4574359237 [0,2,0,0,0,0|1,0,1]=4 1809 B9R1.35 O=C1NC=C(N1)C(=O)O MCULE-2879870126 [0,2,0,0,0,0|1,0,1]=4 1810 B9R1.35 O=C1NCC(N1)C(=O)O MCULE-5872947769 [0,2,0,0,0,0|1,0,1]=4 1811 B9R1.35 O=C1NC[C@@H](N1)C(=O)O MCULE-3499982275 [0,2,0,0,0,0|1,0,1]=4 1812 B9R1.35 O=C1NC[C@@H](N1)C(=O)O MCULE-9995046216 [0,2,0,0,0,0|1,0,1]=4 1813 B9R1.35 O=C1NC[C@H](N1)C(=O)O MCULE-2524102915 [0,2,0,0,0,0|1,0,1]=4 1814 B9R1.35 O=C1NC[C@H](N1)C(=O)O MCULE-5992511798 [0,2,0,0,0,0|1,0,1]=4 1815 B9R1.35 O=C1NN=C(N1)C(=O)[O-] MCULE-6855966971 [0,2,0,0,0,0|2,0,0]=4 1816 B9R1.35 O=C1NN=C(N1)N(=O)=O MCULE-4531950425 [0,2,0,0,0,0|2,0,0]=4 1817 B9R1.35 O=C1N[C@@H](CO1)C(=O)O MCULE-2786614278 [0,2,0,0,0,0|1,0,1]=4 1818 B9R1.35 O=C1N[C@@H](CO1)C(=O)O MCULE-8589745511 [0,2,0,0,0,0|1,0,1]=4 1819 B9R1.35 O=C1N[C@@H](CS1)C(=O)O MCULE-8232416107 [0,2,0,0,0,0|1,0,1]=4 1820 B9R1.35 O=C1N[C@@H](CS1)C(=O)O MCULE-9439896780 [0,2,0,0,0,0|1,0,1]=4 1821 B9R1.35 O=C1N[C@H](CO1)C(=O)O MCULE-3716829138 [0,2,0,0,0,0|1,0,1]=4 1822 B9R1.35 O=C1N[C@H](CO1)C(=O)O MCULE-9300998688 [0,2,0,0,0,0|1,0,1]=4 1823 B9R1.35 O=C1N[C@H](CS1)C(=O)O MCULE-3120744944 [0,2,0,0,0,0|1,0,1]=4 1824 B9R1.125 CC1(CCC(=O)N1)C#N MCULE-1747516411 [0,2,0,0,0,0|1,0,1]=4 1825 B9R1.125 CC1(CCC(=O)N1)CN MCULE-5027285094 [0,2,0,0,0,0|1,0,1]=4 1826 B9R1.125 CC1(CCC(=O)N1)CN MCULE-6327832088 [0,2,0,0,0,0|1,0,1]=4 1827 B9R1.125 CC1(CCC(=O)N1)CO MCULE-9700105207 [0,2,0,0,0,0|0,0,2]=4 1828 B9R1.132 CCC1=C(C(=O)CC1)O MCULE-3983794608 [0,2,0,0,0,0|2,0,0]=4 1829 B9R1.132 CN1C(=O)CCC1C#N MCULE-7353146419 [0,2,0,0,0,0|1,0,1]=4 1830 B9R1.132 CN1C(=O)CCC1CBr MCULE-9411477362 [0,2,0,0,0,0|1,0,1]=4 1831 B9R1.132 CN1C(=O)CCC1CN MCULE-5871779409 [0,2,0,0,0,0|1,0,1]=4 1832 B9R1.132 CN1C(=O)CCC1CN MCULE-8080412333 [0,2,0,0,0,0|1,0,1]=4 1833 B9R1.132 CN1C(=O)CCC1CO MCULE-1191755112 [0,2,0,0,0,0|0,0,2]=4 1834 B9R1.132 CN1C(=O)CC[C@@H]1CN MCULE-8818444582 [0,2,0,0,0,0|1,0,1]=4 1835 B9R1.132 CN1C(=O)CC[C@@H]1CN MCULE-9421193159 [0,2,0,0,0,0|1,0,1]=4 1836 B9R1.132 CN1C(=O)CC[C@@H]1CO MCULE-3774785586 [0,2,0,0,0,0|0,0,2]=4 1837 B9R1.132 CN1C(=O)CC[C@@H]1CO MCULE-6918454394 [0,2,0,0,0,0|0,0,2]=4 1838 B9R1.132 CN1C(=O)CC[C@H]1CN MCULE-2222415070 [0,2,0,0,0,0|1,0,1]=4 1839 B9R1.132 CN1C(=O)CC[C@H]1CN MCULE-5580238692 [0,2,0,0,0,0|1,0,1]=4 1840 B9R1.132 CN1C(=O)CC[C@H]1CO MCULE-2827633861 [0,2,0,0,0,0|0,0,2]=4 1841 B9R1.132 CN1C(=O)CC[C@H]1CO MCULE-6009129420 [0,2,0,0,0,0|0,0,2]=4 1842 B9R1.132 COC1=C(C(=O)CC1)Br MCULE-3706141828 [0,2,0,0,0,0|1,0,1]=4 1843 B9R1.36 CC1(CC(C(=O)N1)O)C MCULE-6193972218 [0,2,0,0,0,0|1,0,1]=4 1844 B9R1.36 CC1CC(NC1=O)(C)C MCULE-3640588755 [0,2,0,0,0,0|1,0,1]=4 1845 B9R1.36 NC1CS(=O)(=O)NC1=O MCULE-5308687626 [0,2,0,0,0,0|1,0,0]=3 1846 B9R1.36 NC1CS(=O)(=O)NC1=O MCULE-7250097397 [0,2,0,0,0,0|1,0,0]=3 1847 B9R1.37 C1(C(=O)OC(=O)N1C)C MCULE-3598751334 [0,2,0,0,0,0|2,0,0]=4 1848 B9R1.37 CC1=C(C(=O)CC1C)O MCULE-3677110376 [0,2,0,0,0,0|2,0,0]=4 1849 B9R1.37 CC1=CC(=O)N(C1=O)N MCULE-1955900673 [0,2,0,0,0,0|0,0,2]=4 1850 B9R1.37 CC1=CC(=O)N(C1=O)N MCULE-3848588925 [0,2,0,0,0,0|0,0,2]=4 1851 B9R1.37 CC1C(=O)CC(=O)N1C MCULE-5385796348 [0,2,0,0,0,0|2,0,0]=4 1852 B9R1.37 CC1C(=O)CC(=O)N1C MCULE-6531132040 [0,2,0,0,0,0|2,0,0]=4 1853 B9R1.37 CC1C(=O)NC(=O)C1C MCULE-1244228905 [0,2,0,0,0,0|0,0,0]=2 1854 B9R1.37 CC1C(=O)NC(=O)N1C MCULE-8491807319 [0,2,0,0,0,0|1,0,0]=3 1855 B9R1.37 CC1C(=O)OC(=O)C1C MCULE-1136120780 [0,2,0,0,0,0|1,0,0]=3 1856 B9R1.37 CC1C(=O)OC(=O)N1C MCULE-1864135953 [0,2,0,0,0,0|2,0,0]=4 1857 B9R1.37 CC1C(CC(=O)N1C)O MCULE-1269195673 [0,2,0,0,0,0|1,0,1]=4 1858 B9R1.37 CC1NC(=O)N(C1=O)C MCULE-9574379568 [0,2,0,0,0,0|1,0,0]=3 1859 B9R1.37 CC1SC(=S)N(C1=O)N MCULE-9909170601 [0,2,0,0,0,0|1,1,0]=4 1860 B9R1.37 CN1C(=O)C=C(C1=O)Br MCULE-6711543006 [0,2,0,0,0,0|0,0,2]=4 1861 B9R1.37 CN1C(=O)C=C(C1=O)N MCULE-4181324260 [0,2,0,0,0,0|0,0,2]=4 1862 B9R1.37 CN1C(=O)CC(C1=O)N MCULE-1881097860 [0,2,0,0,0,0|0,0,0]=2 1863 B9R1.37 CN1C(=O)CC(C1=O)N MCULE-9743249390 [0,2,0,0,0,0|0,0,0]=2 1864 B9R1.37 CN1C(=O)CC(C1=O)O MCULE-4159978894 [0,2,0,0,0,0|0,0,0]=2 1865 B9R1.37 CN1C(=O)C[C@@H](C1=O)N MCULE-4253353358 [0,2,0,0,0,0|0,0,0]=2 1866 B9R1.37 CN1C(=O)C[C@@H](C1=O)N MCULE-8722122900 [0,2,0,0,0,0|0,0,0]=2 1867 B9R1.37 CN1C(=O)C[C@@H](C1=O)O MCULE-4702742954 [0,2,0,0,0,0|0,0,0]=2 1868 B9R1.37 CN1C(=O)NC(=O)C1=O MCULE-3910177119 [0,2,0,0,0,0|1,0,1]=4 1869 B9R1.37 CN1C(=O)NC(=O)C1O MCULE-7416083579 [0,2,0,0,0,0|1,0,0]=3 1870 B9R1.37 CN1CC(=O)N(C1=N)C MCULE-2819990793 [0,2,0,0,0,0|2,0,0]=4 1871 B9R1.37 CN1CC(=O)N(C1=N)C MCULE-5017302963 [0,2,0,0,0,0|2,0,0]=4 1872 B9R1.37 CN1CC(=O)N(C1=O)C MCULE-4679697256 [0,2,0,0,0,0|1,0,0]=3 1873 B9R1.37 CN1CC(=O)N(C1=O)N MCULE-1002182902 [0,2,0,0,0,0|1,0,0]=3 1874 B9R1.37 CN1CC(=O)N(C1=S)C MCULE-4702271205 [0,2,0,0,0,0|1,1,0]=4 1875 B9R1.37 C[C@@H]1C(=O)OC(=O)N1C MCULE-4681877546 [0,2,0,0,0,0|2,0,0]=4 1876 B9R1.37 C[C@@H]1C(=O)OC(=O)N1C MCULE-6732719128 [0,2,0,0,0,0|2,0,0]=4 1877 B9R1.37 C[C@H]1C(=O)OC(=O)N1C MCULE-7917103150 [0,2,0,0,0,0|2,0,0]=4 1878 B9R1.37 C[C@H]1C(=O)OC(=O)N1C MCULE-9101652594 [0,2,0,0,0,0|2,0,0]=4 1879 B9R1.37 NN1C(=O)NC(=O)C1=O MCULE-8303778577 [0,2,0,0,0,0|1,0,1]=4 1880 B9R1.37 O=C1NC(=O)C(=C1Br)Br MCULE-9909317409 [0,2,0,0,0,0|0,0,2]=4 1881 B9R1.37 O=C1NC(=O)C(=C1Cl)Cl MCULE-3248050786 [0,2,0,0,0,0|0,0,2]=4 1882 B9R1.37 O=C1NC(=O)C(C1Br)Br MCULE-7924949949 [0,2,0,0,0,0|0,0,0]=2 1883 B9R1.37 O=C1OC(=O)C(C1Br)Br MCULE-1918579313 [0,2,0,0,0,0|1,0,0]=3 1884 B9R1.38 CC1(CC(=O)CC1=O)C MCULE-3397643509 [0,2,0,0,0,0|1,0,0]=3 1885 B9R1.38 CC1(CC(=O)NC1=O)Br MCULE-2450694121 [0,2,0,0,0,0|0,0,0]=2 1886 B9R1.38 CC1(CC(=O)NC1=O)C MCULE-3157279987 [0,2,0,0,0,0|0,0,0]=2 1887 B9R1.38 CC1(CC(=O)OC1=O)C MCULE-3767285740 [0,2,0,0,0,0|1,0,0]=3 1888 B9R1.38 CC1(NC(=O)CC1=O)C MCULE-8883060941 [0,2,0,0,0,0|2,0,0]=4 1889 B9R1.38 CC1(NC(=O)CC1N)C MCULE-9628793006 [0,2,0,0,0,0|1,0,1]=4 1890 B9R1.38 CC1(NC(=O)CC1O)C MCULE-8306254701 [0,2,0,0,0,0|1,0,1]=4 1891 B9R1.38 CC1(NC(=O)NC1=O)C MCULE-9870409973 [0,2,0,0,0,0|1,0,0]=3 1892 B9R1.38 CC1(NC(=S)NC1=O)C MCULE-8133524359 [0,2,0,0,0,0|1,1,0]=4 1893 B9R1.38 CC1(OC(=O)CC1=O)C MCULE-9824471420 [0,2,0,0,0,0|2,0,0]=4 1894 B9R1.38 CC1(OC(=O)NC1=O)C MCULE-2681916511 [0,2,0,0,0,0|1,0,0]=3 1895 B9R1.38 CC1(SC(=O)NC1=O)C MCULE-6487661721 [0,2,0,0,0,0|1,0,0]=3 1896 B9R1.38 CC1CC(=O)NC1(C)C MCULE-4801665077 [0,2,0,0,0,0|1,0,1]=4 1897 B9R1.38 O=C1CC(C(=O)O1)(F)F MCULE-1317624407 [0,2,0,0,0,0|1,0,0]=3 1898 B9R1.27 CCC1C(=O)CCC1=O MCULE-9997239659 [0,2,0,0,0,0|1,0,0]=3 1899 B9R1.27 CCN1C(=O)C=CC1=O MCULE-9216989340 [0,2,0,0,0,0|0,0,2]=4 1900 B9R1.27 CCN1C(=O)CCC1=O MCULE-3955479682 [0,2,0,0,0,0|0,0,0]=2 1901 B9R1.27 CCN1C(=O)CNC1=O MCULE-7012305681 [0,2,0,0,0,0|1,0,0]=3 1902 B9R1.27 CCN1C(=O)CNC1=S MCULE-4101647203 [0,2,0,0,0,0|1,1,0]=4 1903 B9R1.27 CCN1C(=O)COC1=S MCULE-8441116729 [0,2,0,0,0,0|1,1,0]=4 1904 B9R1.27 CCN1C(=O)CSC1=S MCULE-7069138767 [0,2,0,0,0,0|1,1,0]=4 1905 B9R1.27 N#CN1C(=O)CCC1=O MCULE-3098343266 [0,2,0,0,0,0|0,0,0]=2 1906 B9R1.27 O=C1C=CC(=O)N1CO MCULE-9063303630 [0,2,0,0,0,0|0,0,2]=4 1907 B9R1.27 O=C1CCC(=O)N1CO MCULE-2404690751 [0,2,0,0,0,0|0,0,0]=2 1908 B9R1.106 CC1(C(=O)CCC1=O)C MCULE-2491276008 [0,2,0,0,0,0|1,0,0]=3 1909 B9R1.106 CC1(C(=O)COC1=O)C MCULE-4169378372 [0,2,0,0,0,0|2,0,0]=4 1910 B9R1.106 O=C1CCC(=O)C1(F)F MCULE-8671792302 [0,2,0,0,0,0|1,0,0]=3 1911 B7R1.3 O=C1C=CCCC1 MCULE-5207755083 [0,0,1,1,0,0|2,0,0]=4 1912 B7R1.3 O=C1C=COCC1 MCULE-2954829305 [0,0,1,1,0,0|1,0,1]=4 1913 B7R1.3 O=C1CCCCN1 MCULE-9168245534 [0,0,1,1,0,0|1,0,1]=4 1914 B7R1.3 O=C1CCNCN1 MCULE-5793765281 [0,0,1,1,0,0|1,0,1]=4 1915 B7R1.3 O=C1CSC=CN1 MCULE-7195428643 [0,0,1,1,0,0|2,0,0]=4 1916 B7R1.20 CC(=O)NC1CC1 MCULE-7553641762 [0,0,1,1,0,0|1,0,1]=4 1917 B7R1.18 NC(=O)C1CCC1 MCULE-5151176129 [0,0,1,1,0,0|1,0,1]=4 1918 B7R1.18 NC(=O)C1CCN1 MCULE-1856696035 [0,0,1,1,0,0|1,0,1]=4 1919 B7R1.18 NC(=O)C1CCN1 MCULE-5757704016 [0,0,1,1,0,0|1,0,1]=4 1920 B7R1.18 NC(=O)C1CNC1 MCULE-2319282799 [0,0,1,1,0,0|2,0,0]=4 1921 B7R1.18 NC(=O)C1CNC1 MCULE-4985073048 [0,0,1,1,0,0|2,0,0]=4 1922 B7R1.18 NC(=O)C1CNC1 MCULE-8796959516 [0,0,1,1,0,0|2,0,0]=4 1923 B7R1.18 NC(=O)C1COC1 MCULE-1077689713 [0,0,1,1,0,0|2,0,0]=4 1924 B7R1.18 NC(=O)[C@H]1CCN1 MCULE-7187425143 [0,0,1,1,0,0|1,0,1]=4 1925 B9R2.19 O=C1NCC2CC1C2 MCULE-1404448235 [0,0,0,1,0,1|1,0,1]=4 1926 B9R2.19 O=C1NCC2CC1N2 MCULE-4322893965 [0,0,0,1,0,1|1,0,1]=4 1927 B9R2.21 O=C1CC2CC2CN1 MCULE-8535104450 [0,0,0,1,0,1|1,0,1]=4 1928 B9R2.21 O=C1CCC2CC2N1 MCULE-1049659983 [0,0,0,1,0,1|1,0,1]=4 1929 B9R2.25 NC1=NC(=O)N2C1C2 MCULE-5660903088 [0,0,0,1,0,1|1,0,1]=4 1930 B9R2.25 O=C1NC(=O)C2C1C2 MCULE-6452102558 [0,0,0,1,0,1|0,0,0]=2 1931 B9R2.25 O=C1OC(=O)C2C1C2 MCULE-2570796017 [0,0,0,1,0,1|1,0,0]=3 1932 B9R2.39 O=C1NC2CCC1C2 MCULE-2050587567 [0,0,0,1,0,1|1,0,1]=4 1933 B9R2.39 O=C1N[C@@H]2CC[C@H]1C2 MCULE-2601085316 [0,0,0,1,0,1|1,0,1]=4 1934 B9R2.39 O=C1N[C@@H]2CN[C@H]1C2 MCULE-6049411288 [0,0,0,1,0,1|1,0,1]=4 1935 B9R2.39 O=C1N[C@@H]2CN[C@H]1C2 MCULE-7775612507 [0,0,0,1,0,1|1,0,1]=4 1936 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 MCULE-6863863448 [0,0,0,1,0,1|1,0,1]=4 1937 B9R2.39 [C@H]12CC[C@H](C1)C(=O)N2 MCULE-3838940137 [0,0,0,1,0,1|1,0,1]=4 1938 B9R2.139 O=C1CCC2(N1)CC2 MCULE-2706136990 [0,1,0,1,0,0|1,0,1]=4 1939 B5R0.5 C=C(C)C(=C)C MCULE-6799765242 [0,0,1,0,1,0|2,0,0]=4 1940 B5R0.5 C=C(C)C(=O)C MCULE-5872425076 [0,0,1,0,1,0|1,0,0]=3 1941 B5R0.5 C=C(C)C(=O)Cl MCULE-9163474336 [0,0,1,0,1,0|2,0,0]=4 1942 B5R0.5 C=C(C)C(=O)N MCULE-3416322097 [0,0,1,0,1,0|2,0,0]=4 1943 B5R0.5 C=C(C)C(=O)O MCULE-9899621926 [0,0,1,0,1,0|2,0,0]=4 1944 B5R0.5 C=C(C)C(=O)[O-] MCULE-5299174444 [0,0,1,0,1,0|2,0,0]=4 1945 B5R0.5 C=C(C)C(=O)[O-] MCULE-7320418926 [0,0,1,0,1,0|2,0,0]=4 1946 B5R0.5 C=C(C)C(=O)[O-] MCULE-7347881815 [0,0,1,0,1,0|2,0,0]=4 1947 B5R0.5 CC(=C(C)Br)C MCULE-2244219065 [0,0,1,0,1,0|2,0,0]=4 1948 B5R0.5 CC(=C(C)C)C MCULE-2888318026 [0,0,1,0,1,0|2,0,0]=4 1949 B5R0.5 CC(=O)C(=O)C MCULE-5742661187 [0,0,1,0,1,0|0,0,0]=2 1950 B5R0.5 CC(=O)C(=O)Cl MCULE-3413498860 [0,0,1,0,1,0|1,0,0]=3 1951 B5R0.5 CC(=O)C(=O)N MCULE-6804734996 [0,0,1,0,1,0|1,0,0]=3 1952 B5R0.5 CC(=O)C(=O)O MCULE-8587144313 [0,0,1,0,1,0|1,0,0]=3 1953 B5R0.5 CC(=O)C(=O)[O-] MCULE-2773521709 [0,0,1,0,1,0|1,0,0]=3 1954 B5R0.5 CC(=O)C(=O)[O-] MCULE-7007482346 [0,0,1,0,1,0|1,0,0]=3 1955 B5R0.5 CC(=O)C(=O)[O-] MCULE-8344520452 [0,0,1,0,1,0|1,0,0]=3 1956 B5R0.5 CC(=O)C(=S)N MCULE-3142518834 [0,0,1,0,1,0|1,1,0]=4 1957 B5R0.5 CC(=O)C(C)Br MCULE-3764525199 [0,0,1,0,1,0|1,0,1]=4 1958 B5R0.5 CC(=O)C(C)C MCULE-5982732938 [0,0,1,0,1,0|1,0,1]=4 1959 B5R0.5 CC(=O)C(C)Cl MCULE-5065840606 [0,0,1,0,1,0|1,0,1]=4 1960 B5R0.5 CC(=O)C(C)F MCULE-2129925918 [0,0,1,0,1,0|1,0,1]=4 1961 B5R0.5 CC(=O)C(C)N MCULE-5716124999 [0,0,1,0,1,0|1,0,1]=4 1962 B5R0.5 CC(=O)C(C)N MCULE-9248002534 [0,0,1,0,1,0|1,0,1]=4 1963 B5R0.5 CC(=O)C(C)O MCULE-5374414264 [0,0,1,0,1,0|0,0,2]=4 1964 B5R0.5 CC(=O)C(C)S MCULE-2716722148 [0,0,1,0,1,0|0,1,1]=4 1965 B5R0.5 CC(=O)N(C)C MCULE-4256511309 [0,0,1,0,1,0|2,0,0]=4 1966 B5R0.5 CC(=O)N(C)N MCULE-2447375293 [0,0,1,0,1,0|2,0,0]=4 1967 B5R0.5 CC(=O)[C@H](C)N MCULE-2609095078 [0,0,1,0,1,0|1,0,1]=4 1968 B5R0.5 CC(=O)[C@H](C)N MCULE-6039921944 [0,0,1,0,1,0|1,0,1]=4 1969 B5R0.5 CC(=O)[C@H](C)N MCULE-6387613992 [0,0,1,0,1,0|1,0,1]=4 1970 B5R0.5 CC(=O)[C@H](C)N MCULE-7052375323 [0,0,1,0,1,0|1,0,1]=4 1971 B5R0.5 NC(=O)C(=O)N MCULE-9024594322 [0,0,1,0,1,0|2,0,0]=4 1972 B5R0.5 NC(=O)C(=O)O MCULE-4442165428 [0,0,1,0,1,0|2,0,0]=4 1973 B5R0.5 NC(=O)C(=O)[O-] MCULE-6520154385 [0,0,1,0,1,0|2,0,0]=4 1974 B5R0.5 NC(=O)C(=O)[O-] MCULE-9489956613 [0,0,1,0,1,0|2,0,0]=4 1975 B5R0.5 O=C(Br)C(=O)Br MCULE-6502494359 [0,0,1,0,1,0|2,0,0]=4 1976 B5R0.5 O=C(Cl)C(=O)Cl MCULE-7263932124 [0,0,1,0,1,0|2,0,0]=4 1977 B5R0.5 O=C(O)C(=O)O MCULE-2859436444 [0,0,1,0,1,0|2,0,0]=4 1978 B5R0.5 O=C(O)C(=O)O MCULE-3054574273 [0,0,1,0,1,0|2,0,0]=4 1979 B5R0.5 O=C(O)C(=O)O MCULE-4285591204 [0,0,1,0,1,0|2,0,0]=4 1980 B5R0.5 O=C(O)C(=O)O MCULE-4461843798 [0,0,1,0,1,0|2,0,0]=4 1981 B5R0.5 O=C(O)C(=O)O MCULE-6031758101 [0,0,1,0,1,0|2,0,0]=4 1982 B5R0.5 O=C(O)C(=O)O MCULE-6647815245 [0,0,1,0,1,0|2,0,0]=4 1983 B5R0.5 O=C(O)C(=O)O MCULE-7895971003 [0,0,1,0,1,0|2,0,0]=4 1984 B5R0.5 O=C(O)C(=O)O MCULE-8046063377 [0,0,1,0,1,0|2,0,0]=4 1985 B5R0.5 O=C(O)C(=O)O MCULE-8198551041 [0,0,1,0,1,0|2,0,0]=4 1986 B5R0.5 O=C(O)C(=O)O MCULE-8472527874 [0,0,1,0,1,0|2,0,0]=4 1987 B5R0.5 O=C(O)C(=O)O MCULE-9701145416 [0,0,1,0,1,0|2,0,0]=4 1988 B5R0.5 O=C([O-])C(=O)[O-] MCULE-1850167183 [0,0,1,0,1,0|2,0,0]=4 1989 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2102182772 [0,0,1,0,1,0|2,0,0]=4 1990 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2594600365 [0,0,1,0,1,0|2,0,0]=4 1991 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2876490980 [0,0,1,0,1,0|2,0,0]=4 1992 B5R0.5 O=C([O-])C(=O)[O-] MCULE-4875218588 [0,0,1,0,1,0|2,0,0]=4 1993 B5R0.5 O=C([O-])C(=O)[O-] MCULE-6598296804 [0,0,1,0,1,0|2,0,0]=4 1994 B5R0.5 O=C([O-])C(=O)[O-] MCULE-6729461006 [0,0,1,0,1,0|2,0,0]=4 1995 B5R0.5 O=C([O-])C(=O)[O-] MCULE-7607695802 [0,0,1,0,1,0|2,0,0]=4 1996 B5R1.2 BrC1=CCC1 MCULE-7839710306 [1,0,0,0,1,0|1,0,0]=3 1997 B5R1.2 C=C1CCC1 MCULE-8318650413 [1,0,0,0,1,0|1,0,1]=4 1998 B5R1.2 CC1CCN1 MCULE-7952714343 [1,0,0,0,1,0|1,0,1]=4 1999 B5R1.2 CC1CCN1 MCULE-9084374728 [1,0,0,0,1,0|1,0,1]=4 2000 B5R1.2 C[C@@H]1CCN1 MCULE-1326888606 [1,0,0,0,1,0|1,0,1]=4 2001 B5R1.2 C[C@@H]1CCN1 MCULE-4242598105 [1,0,0,0,1,0|1,0,1]=4 2002 B5R1.2 C[C@@H]1CCN1 MCULE-7982357684 [1,0,0,0,1,0|1,0,1]=4 2003 B5R1.2 C[C@@H]1CCN1 MCULE-9443505478 [1,0,0,0,1,0|1,0,1]=4 2004 B5R1.2 C[C@H]1CCN1 MCULE-3178162849 [1,0,0,0,1,0|1,0,1]=4 2005 B5R1.2 C[C@H]1CCN1 MCULE-4001397038 [1,0,0,0,1,0|1,0,1]=4 2006 B5R1.2 C[C@H]1CCN1 MCULE-4361200248 [1,0,0,0,1,0|1,0,1]=4 2007 B5R1.2 C[C@H]1CCN1 MCULE-6534579029 [1,0,0,0,1,0|1,0,1]=4 2008 B5R1.2 O=C1CCC1 MCULE-4870967355 [1,0,0,0,1,0|0,0,1]=3 2009 B5R1.2 O=C1CCN1 MCULE-9053067221 [1,0,0,0,1,0|0,0,0]=2 2010 B5R1.2 O=C1CCO1 MCULE-1277069147 [1,0,0,0,1,0|1,0,0]=3 2011 B5R1.2 O=C1CNC1 MCULE-5171659870 [1,0,0,0,1,0|1,0,1]=4 2012 B5R1.2 O=C1CNC1 MCULE-8293494956 [1,0,0,0,1,0|1,0,1]=4 2013 B5R1.2 O=C1COC1 MCULE-6847248632 [1,0,0,0,1,0|1,0,1]=4 2014 B5R1.2 O=C1CSC1 MCULE-4436071261 [1,0,0,0,1,0|1,0,1]=4 2015 B9R1.49 CC1CCNC(=O)CC1 MCULE-4158970437 [0,0,0,0,0,2|1,0,1]=4 2016 B9R1.49 CC1CNC(=O)CCN1 MCULE-4770101901 [0,0,0,0,0,2|1,0,1]=4 2017 B9R1.49 CC1CNC(=O)CCN1 MCULE-5299288950 [0,0,0,0,0,2|1,0,1]=4 2018 B9R1.49 CN1CCNC(=O)CC1 MCULE-4386852783 [0,0,0,0,0,2|2,0,0]=4 2019 B9R1.49 CN1CCNC(=O)CC1 MCULE-7599377981 [0,0,0,0,0,2|2,0,0]=4 2020 B9R1.49 NC1CCCC(=O)NC1 MCULE-1344459585 [0,0,0,0,0,2|1,0,1]=4 2021 B9R1.49 NC1CCCC(=O)NC1 MCULE-1546951296 [0,0,0,0,0,2|1,0,1]=4 2022 B9R1.49 NC1CCNC(=O)CC1 MCULE-5608507579 [0,0,0,0,0,2|1,0,1]=4 2023 B9R1.49 NC1CCNC(=O)CC1 MCULE-7880148448 [0,0,0,0,0,2|1,0,1]=4 2024 B9R1.49 O=C1CCC(=O)COC1 MCULE-3449745230 [0,0,0,0,0,2|1,0,0]=3 2025 B9R1.49 O=C1CCCC(=O)NC1 MCULE-4912384035 [0,0,0,0,0,2|0,0,0]=2 2026 B9R1.49 O=C1CCCC(CN1)O MCULE-2883103344 [0,0,0,0,0,2|0,0,2]=4 2027 B9R1.49 O=C1CCCS(=O)CC1 MCULE-7517634998 [0,0,0,0,0,2|2,0,0]=4 2028 B9R1.49 O=C1CCNC(=O)CC1 MCULE-7393024422 [0,0,0,0,0,2|0,0,0]=2 2029 B9R1.48 CC1=CC(=O)CCCC1 MCULE-5466118884 [0,0,0,0,0,2|2,0,0]=4 2030 B9R1.48 CC1CCCCC(=O)N1 MCULE-8985894348 [0,0,0,0,0,2|1,0,1]=4 2031 B9R1.48 CC1CNCCC(=O)N1 MCULE-3663408616 [0,0,0,0,0,2|1,0,1]=4 2032 B9R1.48 O=C1CCCCC(=O)C1 MCULE-7105668998 [0,0,0,0,0,2|1,0,0]=3 2033 B9R1.48 O=C1CCCCC(=O)N1 MCULE-4575266335 [0,0,0,0,0,2|0,0,0]=2 2034 B9R1.48 O=C1CCCCC(=O)O1 MCULE-7893102377 [0,0,0,0,0,2|1,0,0]=3 2035 B9R1.48 O=C1CCCCC(=S)N1 MCULE-9950295037 [0,0,0,0,0,2|0,1,0]=3 2036 B9R1.48 O=C1CCCCC(N1)O MCULE-6756895418 [0,0,0,0,0,2|0,0,2]=4 2037 B9R1.48 O=C1CCCNC(=O)C1 MCULE-3387303399 [0,0,0,0,0,2|1,0,0]=3