0 B5R0.3 BrCC(Br)CBr MCULE-7323713039 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 C#CC(=O)CC MCULE-1563732373 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.3 C#CC(C)NC MCULE-6738130869 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.3 C#CC(C)OC MCULE-3702592933 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.3 C#CC(C)OC MCULE-3806443816 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.3 C#CC(N)CC MCULE-2327605941 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.3 C#CC(N)CC MCULE-3572771620 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.3 C#CC(N)CO MCULE-2442851523 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.3 C#CC(N)CO MCULE-3866086926 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.3 C#CC(O)C=C MCULE-5849420618 [0,0,0,0,0,0|2,0,2]=4 10 B5R0.3 C#CC(O)CC MCULE-9890863731 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.3 C#C[C@H](C)OC MCULE-9002531152 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.3 C#C[C@H](N)CO MCULE-2312982984 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.3 C#C[C@H](N)CO MCULE-8124038281 [0,0,0,0,0,0|3,0,1]=4 14 B5R0.3 C#C[C@H](N)CO MCULE-8753140181 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.3 C#C[C@H](N)CO MCULE-9874393436 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.3 C/C(=C\Br)/C#N MCULE-5132213304 [0,0,0,0,0,0|2,0,2]=4 17 B5R0.3 C/C(=C\N)/C=O MCULE-4713460468 [0,0,0,0,0,0|1,0,2]=3 18 B5R0.3 C/C=C(/C)\CC MCULE-9789907985 [0,0,0,0,0,0|1,0,1]=2 19 B5R0.3 C/C=C(\C)/C=O MCULE-2818872726 [0,0,0,0,0,0|0,0,2]=2 20 B5R0.3 C/C=C(\C)/CC MCULE-7119786881 [0,0,0,0,0,0|1,0,1]=2 21 B5R0.3 C=C(C=O)CC MCULE-2875154067 [0,0,0,0,0,0|0,0,2]=2 22 B5R0.3 C=C(CC)CBr MCULE-1652422688 [0,0,0,0,0,0|1,0,3]=4 23 B5R0.3 C=C(CC)CC MCULE-9174509622 [0,0,0,0,0,0|1,0,3]=4 24 B5R0.3 C=C(CC)CN MCULE-2269385026 [0,0,0,0,0,0|1,0,3]=4 25 B5R0.3 C=C(CC)CN MCULE-3033447984 [0,0,0,0,0,0|1,0,3]=4 26 B5R0.3 C=C(CC)CO MCULE-8127766352 [0,0,0,0,0,0|0,0,4]=4 27 B5R0.3 C=C/C(=C/C)/C MCULE-6445909882 [0,0,0,0,0,0|1,0,2]=3 28 B5R0.3 C=CC(=CC)C MCULE-8585683674 [0,0,0,0,0,0|1,0,2]=3 29 B5R0.3 C=CC(=O)CC MCULE-7277696617 [0,0,0,0,0,0|2,0,1]=3 30 B5R0.3 C=CC(=O)NC MCULE-5619481947 [0,0,0,0,0,0|3,0,1]=4 31 B5R0.3 C=CC(=O)OC MCULE-6010665978 [0,0,0,0,0,0|3,0,1]=4 32 B5R0.3 C=CC(C)C#N MCULE-7507500865 [0,0,0,0,0,0|2,0,1]=3 33 B5R0.3 C=CC(C)CC MCULE-8112547661 [0,0,0,0,0,0|1,0,0]=1 34 B5R0.3 C=CC(C)NC MCULE-1929679074 [0,0,0,0,0,0|2,0,0]=2 35 B5R0.3 C=CC(C)NC MCULE-6382339452 [0,0,0,0,0,0|2,0,0]=2 36 B5R0.3 C=CC(C)ON MCULE-2385478473 [0,0,0,0,0,0|3,0,0]=3 37 B5R0.3 C=CC(C)ON MCULE-3428023923 [0,0,0,0,0,0|3,0,0]=3 38 B5R0.3 C=CC(Cl)CCl MCULE-8000466907 [0,0,0,0,0,0|3,0,0]=3 39 B5R0.3 C=CC(N)CC MCULE-6270835453 [0,0,0,0,0,0|2,0,0]=2 40 B5R0.3 C=CC(N)CC MCULE-7920121163 [0,0,0,0,0,0|2,0,0]=2 41 B5R0.3 C=CC(N)CO MCULE-2457433196 [0,0,0,0,0,0|3,0,0]=3 42 B5R0.3 C=CC(N)CO MCULE-6697949182 [0,0,0,0,0,0|3,0,0]=3 43 B5R0.3 C=CC(N)CO MCULE-7137123222 [0,0,0,0,0,0|3,0,0]=3 44 B5R0.3 C=CC(N)CO MCULE-8388687355 [0,0,0,0,0,0|3,0,0]=3 45 B5R0.3 C=CC(O)C#N MCULE-2341615846 [0,0,0,0,0,0|3,0,1]=4 46 B5R0.3 C=CC(O)C=C MCULE-7283842025 [0,0,0,0,0,0|2,0,2]=4 47 B5R0.3 C=CC(O)CBr MCULE-3538023814 [0,0,0,0,0,0|3,0,0]=3 48 B5R0.3 C=CC(O)CC MCULE-2794806228 [0,0,0,0,0,0|2,0,0]=2 49 B5R0.3 C=CC(O)CN MCULE-3472823475 [0,0,0,0,0,0|3,0,0]=3 50 B5R0.3 C=CC(O)CO MCULE-6172654550 [0,0,0,0,0,0|3,0,0]=3 51 B5R0.3 C=C[C@@H](N)CO MCULE-1000343618 [0,0,0,0,0,0|3,0,0]=3 52 B5R0.3 C=C[C@@H](N)CO MCULE-1074988940 [0,0,0,0,0,0|3,0,0]=3 53 B5R0.3 C=C[C@@H](N)CO MCULE-3685491078 [0,0,0,0,0,0|3,0,0]=3 54 B5R0.3 C=C[C@@H](N)CO MCULE-4969611575 [0,0,0,0,0,0|3,0,0]=3 55 B5R0.3 C=C[C@@H](O)CO MCULE-5957455616 [0,0,0,0,0,0|3,0,0]=3 56 B5R0.3 C=C[C@H](N)CO MCULE-2834725512 [0,0,0,0,0,0|3,0,0]=3 57 B5R0.3 C=C[C@H](N)CO MCULE-3281738311 [0,0,0,0,0,0|3,0,0]=3 58 B5R0.3 C=C[C@H](N)CO MCULE-3551585090 [0,0,0,0,0,0|3,0,0]=3 59 B5R0.3 C=C[C@H](N)CO MCULE-9055556349 [0,0,0,0,0,0|3,0,0]=3 60 B5R0.3 C=C[C@H](O)CO MCULE-6068203844 [0,0,0,0,0,0|3,0,0]=3 61 B5R0.3 C=C[C@H](O)CO MCULE-9367072182 [0,0,0,0,0,0|3,0,0]=3 62 B5R0.3 CC(=CBr)C#N MCULE-9263455697 [0,0,0,0,0,0|2,0,2]=4 63 B5R0.3 CC(=CCl)CCl MCULE-2732105685 [0,0,0,0,0,0|2,0,1]=3 64 B5R0.3 CC(=CI)CI MCULE-3347686188 [0,0,0,0,0,0|2,0,1]=3 65 B5R0.3 CC(=CI)CO MCULE-8491569199 [0,0,0,0,0,0|2,0,1]=3 66 B5R0.3 CC(=CN)C=O MCULE-5507488903 [0,0,0,0,0,0|1,0,2]=3 67 B5R0.3 CC(=NO)CS MCULE-9694340512 [0,0,0,0,0,0|2,0,2]=4 68 B5R0.3 CC(C#N)C#N MCULE-2264412372 [0,0,0,0,0,0|2,0,2]=4 69 B5R0.3 CC(C#N)CCl MCULE-9290621020 [0,0,0,0,0,0|2,0,1]=3 70 B5R0.3 CC(C#N)CN MCULE-8151367276 [0,0,0,0,0,0|2,0,1]=3 71 B5R0.3 CC(C#N)CO MCULE-1644391554 [0,0,0,0,0,0|2,0,1]=3 72 B5R0.3 CC(CBr)CBr MCULE-7586113999 [0,0,0,0,0,0|2,0,1]=3 73 B5R0.3 CC(CCl)CBr MCULE-5101754687 [0,0,0,0,0,0|2,0,1]=3 74 B5R0.3 CC(CCl)CCl MCULE-1169456620 [0,0,0,0,0,0|2,0,1]=3 75 B5R0.3 CC(CI)CI MCULE-4568725580 [0,0,0,0,0,0|2,0,1]=3 76 B5R0.3 CC(CN)CCl MCULE-2423692318 [0,0,0,0,0,0|2,0,1]=3 77 B5R0.3 CC(CN)CCl MCULE-8419541212 [0,0,0,0,0,0|2,0,1]=3 78 B5R0.3 CC(CN)CN MCULE-1464804013 [0,0,0,0,0,0|2,0,1]=3 79 B5R0.3 CC(CN)CN MCULE-3273307813 [0,0,0,0,0,0|2,0,1]=3 80 B5R0.3 CC(CN)CO MCULE-5880795484 [0,0,0,0,0,0|1,0,2]=3 81 B5R0.3 CC(CN)CO MCULE-8083007887 [0,0,0,0,0,0|1,0,2]=3 82 B5R0.3 CC(CO)CBr MCULE-3815333295 [0,0,0,0,0,0|1,0,2]=3 83 B5R0.3 CC(CO)CBr MCULE-5695891877 [0,0,0,0,0,0|1,0,2]=3 84 B5R0.3 CC(CO)CO MCULE-2340730326 [0,0,0,0,0,0|1,0,2]=3 85 B5R0.3 CC(CO)CS MCULE-1990992504 [0,0,0,0,0,0|1,0,2]=3 86 B5R0.3 CC(CO)NN MCULE-3362748538 [0,0,0,0,0,0|3,0,0]=3 87 B5R0.3 CC(CO)NN MCULE-4440318216 [0,0,0,0,0,0|3,0,0]=3 88 B5R0.3 CC/C(=N/O)/C MCULE-9139048973 [0,0,0,0,0,0|1,0,2]=3 89 B5R0.3 CC/C(=N/O)/N MCULE-2794748611 [0,0,0,0,0,0|2,0,2]=4 90 B5R0.3 CC/C(=N/O)/N MCULE-7162577220 [0,0,0,0,0,0|2,0,2]=4 91 B5R0.3 CC=C(Br)C=O MCULE-4703333701 [0,0,0,0,0,0|1,0,2]=3 92 B5R0.3 CC=C(C)C#N MCULE-4009455127 [0,0,0,0,0,0|1,0,3]=4 93 B5R0.3 CC=C(C)C=O MCULE-9453566957 [0,0,0,0,0,0|0,0,2]=2 94 B5R0.3 CC=C(C)CC MCULE-5790494157 [0,0,0,0,0,0|1,0,1]=2 95 B5R0.3 CC=C(C)CCl MCULE-2444762050 [0,0,0,0,0,0|2,0,1]=3 96 B5R0.3 CCC(=N)OC MCULE-4123543795 [0,0,0,0,0,0|3,0,1]=4 97 B5R0.3 CCC(=N)OC MCULE-5346320805 [0,0,0,0,0,0|3,0,1]=4 98 B5R0.3 CCC(=NO)C MCULE-1859652505 [0,0,0,0,0,0|1,0,2]=3 99 B5R0.3 CCC(=O)CBr MCULE-7825573294 [0,0,0,0,0,0|2,0,2]=4 100 B5R0.3 CCC(=O)CC MCULE-8236549739 [0,0,0,0,0,0|2,0,2]=4 101 B5R0.3 CCC(=O)CCl MCULE-9019890380 [0,0,0,0,0,0|2,0,2]=4 102 B5R0.3 CCC(=O)CN MCULE-1863418812 [0,0,0,0,0,0|2,0,2]=4 103 B5R0.3 CCC(=O)CN MCULE-5831164340 [0,0,0,0,0,0|2,0,2]=4 104 B5R0.3 CCC(=O)CO MCULE-8674894820 [0,0,0,0,0,0|1,0,3]=4 105 B5R0.3 CCC(=O)NC MCULE-5612060170 [0,0,0,0,0,0|3,0,1]=4 106 B5R0.3 CCC(=O)NN MCULE-1803705917 [0,0,0,0,0,0|3,0,1]=4 107 B5R0.3 CCC(=O)NO MCULE-1033164448 [0,0,0,0,0,0|2,0,2]=4 108 B5R0.3 CCC(=O)OC MCULE-7384824725 [0,0,0,0,0,0|3,0,1]=4 109 B5R0.3 CCC(=O)SC MCULE-9712192191 [0,0,0,0,0,0|3,0,1]=4 110 B5R0.3 CCC(Br)C#N MCULE-4015907163 [0,0,0,0,0,0|2,0,1]=3 111 B5R0.3 CCC(Br)C=O MCULE-3064952987 [0,0,0,0,0,0|1,0,0]=1 112 B5R0.3 CCC(Br)CBr MCULE-5254958560 [0,0,0,0,0,0|2,0,1]=3 113 B5R0.3 CCC(Br)CC MCULE-7435628721 [0,0,0,0,0,0|2,0,1]=3 114 B5R0.3 CCC(Br)CO MCULE-7211805716 [0,0,0,0,0,0|1,0,2]=3 115 B5R0.3 CCC(C)C#N MCULE-6204122967 [0,0,0,0,0,0|1,0,1]=2 116 B5R0.3 CCC(C)C=O MCULE-2523669899 [0,0,0,0,0,0|0,0,0]=0 117 B5R0.3 CCC(C)CBr MCULE-5451416952 [0,0,0,0,0,0|1,0,1]=2 118 B5R0.3 CCC(C)CC MCULE-2542807917 [0,0,0,0,0,0|1,0,1]=2 119 B5R0.3 CCC(C)CCl MCULE-7450386476 [0,0,0,0,0,0|1,0,1]=2 120 B5R0.3 CCC(C)CI MCULE-5444509280 [0,0,0,0,0,0|1,0,1]=2 121 B5R0.3 CCC(C)CN MCULE-2777327284 [0,0,0,0,0,0|1,0,1]=2 122 B5R0.3 CCC(C)CN MCULE-7014901600 [0,0,0,0,0,0|1,0,1]=2 123 B5R0.3 CCC(C)CO MCULE-6521026296 [0,0,0,0,0,0|0,0,2]=2 124 B5R0.3 CCC(C)CS MCULE-7795095685 [0,0,0,0,0,0|0,1,1]=2 125 B5R0.3 CCC(C)NC MCULE-2676584804 [0,0,0,0,0,0|2,0,0]=2 126 B5R0.3 CCC(C)NC MCULE-6158046887 [0,0,0,0,0,0|2,0,0]=2 127 B5R0.3 CCC(C)NN MCULE-6074476998 [0,0,0,0,0,0|2,0,0]=2 128 B5R0.3 CCC(C)NN MCULE-8130021960 [0,0,0,0,0,0|2,0,0]=2 129 B5R0.3 CCC(C)NN MCULE-8519369369 [0,0,0,0,0,0|2,0,0]=2 130 B5R0.3 CCC(C)NO MCULE-1247092627 [0,0,0,0,0,0|1,0,1]=2 131 B5R0.3 CCC(C)NO MCULE-6169819668 [0,0,0,0,0,0|1,0,1]=2 132 B5R0.3 CCC(C)OC MCULE-7354431606 [0,0,0,0,0,0|2,0,0]=2 133 B5R0.3 CCC(C)ON MCULE-2907890438 [0,0,0,0,0,0|2,0,0]=2 134 B5R0.3 CCC(C)ON MCULE-4364205813 [0,0,0,0,0,0|2,0,0]=2 135 B5R0.3 CCC(Cl)C#N MCULE-7185233128 [0,0,0,0,0,0|2,0,1]=3 136 B5R0.3 CCC(Cl)C=O MCULE-5238776091 [0,0,0,0,0,0|1,0,0]=1 137 B5R0.3 CCC(Cl)CCl MCULE-5122022797 [0,0,0,0,0,0|2,0,1]=3 138 B5R0.3 CCC(Cl)CO MCULE-1756262629 [0,0,0,0,0,0|1,0,2]=3 139 B5R0.3 CCC(F)CBr MCULE-3226052264 [0,0,0,0,0,0|2,0,1]=3 140 B5R0.3 CCC(F)CN MCULE-1291385596 [0,0,0,0,0,0|2,0,1]=3 141 B5R0.3 CCC(F)CN MCULE-7421331323 [0,0,0,0,0,0|2,0,1]=3 142 B5R0.3 CCC(I)CC MCULE-1119844552 [0,0,0,0,0,0|2,0,1]=3 143 B5R0.3 CCC(N)C#N MCULE-1350483203 [0,0,0,0,0,0|2,0,1]=3 144 B5R0.3 CCC(N)C#N MCULE-3867024162 [0,0,0,0,0,0|2,0,1]=3 145 B5R0.3 CCC(N)CBr MCULE-3567691924 [0,0,0,0,0,0|2,0,1]=3 146 B5R0.3 CCC(N)CC MCULE-4261937519 [0,0,0,0,0,0|2,0,1]=3 147 B5R0.3 CCC(N)CC MCULE-5899128891 [0,0,0,0,0,0|2,0,1]=3 148 B5R0.3 CCC(N)CN MCULE-6911484065 [0,0,0,0,0,0|2,0,1]=3 149 B5R0.3 CCC(N)CN MCULE-8376506697 [0,0,0,0,0,0|2,0,1]=3 150 B5R0.3 CCC(N)CO MCULE-1135809021 [0,0,0,0,0,0|1,0,2]=3 151 B5R0.3 CCC(N)CO MCULE-7588854111 [0,0,0,0,0,0|1,0,2]=3 152 B5R0.3 CCC(O)C#N MCULE-5389816542 [0,0,0,0,0,0|2,0,1]=3 153 B5R0.3 CCC(O)CBr MCULE-4205031860 [0,0,0,0,0,0|2,0,1]=3 154 B5R0.3 CCC(O)CC MCULE-5553645045 [0,0,0,0,0,0|2,0,1]=3 155 B5R0.3 CCC(O)CCl MCULE-8359810208 [0,0,0,0,0,0|2,0,1]=3 156 B5R0.3 CCC(O)CN MCULE-5197026448 [0,0,0,0,0,0|2,0,1]=3 157 B5R0.3 CCC(O)CO MCULE-2488753438 [0,0,0,0,0,0|1,0,2]=3 158 B5R0.3 CCC(O)CO MCULE-7297282094 [0,0,0,0,0,0|1,0,2]=3 159 B5R0.3 CCC(S)CC MCULE-2556259434 [0,0,0,0,0,0|2,0,1]=3 160 B5R0.3 CCC(S)CS MCULE-9332449950 [0,0,0,0,0,0|1,1,1]=3 161 B5R0.3 CCC([NH3+])CBr MCULE-6971158198 [0,0,0,0,0,0|2,0,1]=3 162 B5R0.3 CCN(C)C#N MCULE-1247613129 [0,0,0,0,0,0|2,0,1]=3 163 B5R0.3 CCN(C)C=O MCULE-2308681384 [0,0,0,0,0,0|1,0,0]=1 164 B5R0.3 CCN(C)CC MCULE-7207964917 [0,0,0,0,0,0|2,0,1]=3 165 B5R0.3 CCN(N)CC MCULE-9853386945 [0,0,0,0,0,0|3,0,1]=4 166 B5R0.3 CCN(N)CC MCULE-9962617398 [0,0,0,0,0,0|3,0,1]=4 167 B5R0.3 CCN(O)CC MCULE-6022935768 [0,0,0,0,0,0|3,0,1]=4 168 B5R0.3 CCP(=O)CC MCULE-2216184595 [0,0,0,0,0,0|3,0,1]=4 169 B5R0.3 CCP(Cl)CC MCULE-4484529264 [0,0,0,0,0,0|3,0,1]=4 170 B5R0.3 CCS(=O)CC MCULE-5102735179 [0,0,0,0,0,0|3,0,1]=4 171 B5R0.3 CC[C@@H](C)CBr MCULE-5675886072 [0,0,0,0,0,0|1,0,1]=2 172 B5R0.3 CC[C@@H](C)CN MCULE-7612408107 [0,0,0,0,0,0|1,0,1]=2 173 B5R0.3 CC[C@@H](C)CO MCULE-6700783698 [0,0,0,0,0,0|0,0,2]=2 174 B5R0.3 CC[C@@H](C)CO MCULE-8175790803 [0,0,0,0,0,0|0,0,2]=2 175 B5R0.3 CC[C@@H](N)C#N MCULE-3696119254 [0,0,0,0,0,0|2,0,1]=3 176 B5R0.3 CC[C@@H](N)C#N MCULE-5586041766 [0,0,0,0,0,0|2,0,1]=3 177 B5R0.3 CC[C@@H](N)CO MCULE-3821348404 [0,0,0,0,0,0|1,0,2]=3 178 B5R0.3 CC[C@@H](N)CO MCULE-7190248306 [0,0,0,0,0,0|1,0,2]=3 179 B5R0.3 CC[C@@H](O)CN MCULE-2854535153 [0,0,0,0,0,0|2,0,1]=3 180 B5R0.3 CC[C@@H](O)CN MCULE-8228547956 [0,0,0,0,0,0|2,0,1]=3 181 B5R0.3 CC[C@@H](O)CO MCULE-3948477298 [0,0,0,0,0,0|1,0,2]=3 182 B5R0.3 CC[C@@H](O)CO MCULE-5098109795 [0,0,0,0,0,0|1,0,2]=3 183 B5R0.3 CC[C@H](C)C#N MCULE-9118306872 [0,0,0,0,0,0|1,0,1]=2 184 B5R0.3 CC[C@H](C)CBr MCULE-3263714447 [0,0,0,0,0,0|1,0,1]=2 185 B5R0.3 CC[C@H](C)CBr MCULE-3384648570 [0,0,0,0,0,0|1,0,1]=2 186 B5R0.3 CC[C@H](C)CCl MCULE-6795758745 [0,0,0,0,0,0|1,0,1]=2 187 B5R0.3 CC[C@H](C)CCl MCULE-8147276830 [0,0,0,0,0,0|1,0,1]=2 188 B5R0.3 CC[C@H](C)CI MCULE-9690776923 [0,0,0,0,0,0|1,0,1]=2 189 B5R0.3 CC[C@H](C)CN MCULE-1380819951 [0,0,0,0,0,0|1,0,1]=2 190 B5R0.3 CC[C@H](C)CN MCULE-1396096112 [0,0,0,0,0,0|1,0,1]=2 191 B5R0.3 CC[C@H](C)CN MCULE-2971933862 [0,0,0,0,0,0|1,0,1]=2 192 B5R0.3 CC[C@H](C)CN MCULE-3698084674 [0,0,0,0,0,0|1,0,1]=2 193 B5R0.3 CC[C@H](C)CO MCULE-1493424061 [0,0,0,0,0,0|0,0,2]=2 194 B5R0.3 CC[C@H](C)CO MCULE-6879443668 [0,0,0,0,0,0|0,0,2]=2 195 B5R0.3 CC[C@H](N)C#N MCULE-4431283179 [0,0,0,0,0,0|2,0,1]=3 196 B5R0.3 CC[C@H](N)C#N MCULE-8842235277 [0,0,0,0,0,0|2,0,1]=3 197 B5R0.3 CC[C@H](N)CF MCULE-3646304583 [0,0,0,0,0,0|2,0,1]=3 198 B5R0.3 CC[C@H](N)CF MCULE-4493834638 [0,0,0,0,0,0|2,0,1]=3 199 B5R0.3 CC[C@H](N)CO MCULE-5500083870 [0,0,0,0,0,0|1,0,2]=3 200 B5R0.3 CC[C@H](N)CO MCULE-6312512384 [0,0,0,0,0,0|1,0,2]=3 201 B5R0.3 CC[C@H](O)CN MCULE-4385930741 [0,0,0,0,0,0|2,0,1]=3 202 B5R0.3 CC[C@H](O)CO MCULE-2194264642 [0,0,0,0,0,0|1,0,2]=3 203 B5R0.3 CC[C@H](O)CO MCULE-5503575962 [0,0,0,0,0,0|1,0,2]=3 204 B5R0.3 CN(C=O)C=O MCULE-7774435044 [0,0,0,0,0,0|2,0,1]=3 205 B5R0.3 CNC(C)C#N MCULE-6126262950 [0,0,0,0,0,0|2,0,1]=3 206 B5R0.3 CNC(C)C#N MCULE-8508083404 [0,0,0,0,0,0|2,0,1]=3 207 B5R0.3 CNC(C)CN MCULE-1599162912 [0,0,0,0,0,0|2,0,1]=3 208 B5R0.3 CNC(C)CN MCULE-1637391260 [0,0,0,0,0,0|2,0,1]=3 209 B5R0.3 CNC(C)CO MCULE-3841057780 [0,0,0,0,0,0|1,0,2]=3 210 B5R0.3 CNC(C)CO MCULE-6474892275 [0,0,0,0,0,0|1,0,2]=3 211 B5R0.3 CN[C@@H](C)CO MCULE-1633741835 [0,0,0,0,0,0|1,0,2]=3 212 B5R0.3 CN[C@@H](C)CO MCULE-6736108875 [0,0,0,0,0,0|1,0,2]=3 213 B5R0.3 CN[C@@H](C)CO MCULE-7554801630 [0,0,0,0,0,0|1,0,2]=3 214 B5R0.3 CN[C@@H](C)CO MCULE-9312521497 [0,0,0,0,0,0|1,0,2]=3 215 B5R0.3 CN[C@H](C)CO MCULE-2402322400 [0,0,0,0,0,0|1,0,2]=3 216 B5R0.3 CN[C@H](C)CO MCULE-4362091386 [0,0,0,0,0,0|1,0,2]=3 217 B5R0.3 CN[C@H](C)CO MCULE-5426855707 [0,0,0,0,0,0|1,0,2]=3 218 B5R0.3 CN[C@H](C)CO MCULE-9777995604 [0,0,0,0,0,0|1,0,2]=3 219 B5R0.3 COC(=O)C=O MCULE-2685327079 [0,0,0,0,0,0|2,0,1]=3 220 B5R0.3 COC(C)C#N MCULE-7716445717 [0,0,0,0,0,0|2,0,1]=3 221 B5R0.3 COC(C)CBr MCULE-6831960550 [0,0,0,0,0,0|2,0,1]=3 222 B5R0.3 COC(C)CCl MCULE-6614968111 [0,0,0,0,0,0|2,0,1]=3 223 B5R0.3 COC(C)CI MCULE-9561627722 [0,0,0,0,0,0|2,0,1]=3 224 B5R0.3 COC(C)CN MCULE-1378513525 [0,0,0,0,0,0|2,0,1]=3 225 B5R0.3 COC(C)CN MCULE-6114730248 [0,0,0,0,0,0|2,0,1]=3 226 B5R0.3 COC(C)CN MCULE-7516064224 [0,0,0,0,0,0|2,0,1]=3 227 B5R0.3 COC(C)CN MCULE-8277408054 [0,0,0,0,0,0|2,0,1]=3 228 B5R0.3 COC(C)CO MCULE-5269990702 [0,0,0,0,0,0|1,0,2]=3 229 B5R0.3 COC(C)CO MCULE-7173093332 [0,0,0,0,0,0|1,0,2]=3 230 B5R0.3 COC(C)OC MCULE-8241616143 [0,0,0,0,0,0|3,0,0]=3 231 B5R0.3 CON(C)C=O MCULE-6743121315 [0,0,0,0,0,0|2,0,0]=2 232 B5R0.3 CO[C@@H](C)C#N MCULE-1453263443 [0,0,0,0,0,0|2,0,1]=3 233 B5R0.3 CO[C@@H](C)CN MCULE-1448950160 [0,0,0,0,0,0|2,0,1]=3 234 B5R0.3 CO[C@@H](C)CN MCULE-3784073249 [0,0,0,0,0,0|2,0,1]=3 235 B5R0.3 CO[C@@H](C)CN MCULE-6073633931 [0,0,0,0,0,0|2,0,1]=3 236 B5R0.3 CO[C@@H](C)CN MCULE-9516756218 [0,0,0,0,0,0|2,0,1]=3 237 B5R0.3 CO[C@@H](C)CO MCULE-5600457791 [0,0,0,0,0,0|1,0,2]=3 238 B5R0.3 CO[C@@H](C)CO MCULE-7981152382 [0,0,0,0,0,0|1,0,2]=3 239 B5R0.3 CO[C@H](C)CN MCULE-4143562009 [0,0,0,0,0,0|2,0,1]=3 240 B5R0.3 CO[C@H](C)CN MCULE-4184510827 [0,0,0,0,0,0|2,0,1]=3 241 B5R0.3 CO[C@H](C)CN MCULE-9625722424 [0,0,0,0,0,0|2,0,1]=3 242 B5R0.3 CO[C@H](C)CN MCULE-9882567615 [0,0,0,0,0,0|2,0,1]=3 243 B5R0.3 CO[C@H](C)CO MCULE-4211976708 [0,0,0,0,0,0|1,0,2]=3 244 B5R0.3 CO[C@H](C)CO MCULE-7592020348 [0,0,0,0,0,0|1,0,2]=3 245 B5R0.3 CS/C(=N/O)/C MCULE-8496912522 [0,0,0,0,0,0|2,0,2]=4 246 B5R0.3 CSC(=NO)C MCULE-1500524467 [0,0,0,0,0,0|2,0,2]=4 247 B5R0.3 CSC(C)CN MCULE-8841622109 [0,0,0,0,0,0|2,0,1]=3 248 B5R0.3 CSC(C)CO MCULE-4646435737 [0,0,0,0,0,0|1,0,2]=3 249 B5R0.3 C[C@@H](CN)CO MCULE-4662215148 [0,0,0,0,0,0|1,0,2]=3 250 B5R0.3 C[C@@H](CN)CO MCULE-7870198689 [0,0,0,0,0,0|1,0,2]=3 251 B5R0.3 C[C@@H](CO)CBr MCULE-3691541800 [0,0,0,0,0,0|1,0,2]=3 252 B5R0.3 C[C@@H](CO)CBr MCULE-4447849056 [0,0,0,0,0,0|1,0,2]=3 253 B5R0.3 C[C@H](CO)CBr MCULE-4031825779 [0,0,0,0,0,0|1,0,2]=3 254 B5R0.3 C[C@H](CO)CBr MCULE-6846167456 [0,0,0,0,0,0|1,0,2]=3 255 B5R0.3 Cl/C=C(\Cl)/CCl MCULE-8945457634 [0,0,0,0,0,0|3,0,1]=4 256 B5R0.3 ClC=C(Cl)CCl MCULE-5187224514 [0,0,0,0,0,0|3,0,1]=4 257 B5R0.3 ClCC(Br)CBr MCULE-2454576835 [0,0,0,0,0,0|3,0,1]=4 258 B5R0.3 ClCC(Cl)CCl MCULE-3839333809 [0,0,0,0,0,0|3,0,1]=4 259 B5R0.3 FCC(Br)CBr MCULE-3296621964 [0,0,0,0,0,0|3,0,1]=4 260 B5R0.3 FCC(Cl)CF MCULE-6083002482 [0,0,0,0,0,0|3,0,1]=4 261 B5R0.3 FCC(I)CF MCULE-1837926612 [0,0,0,0,0,0|3,0,1]=4 262 B5R0.3 N#CC(Br)C=O MCULE-3951653048 [0,0,0,0,0,0|2,0,1]=3 263 B5R0.3 N#CC(Br)CBr MCULE-2310311576 [0,0,0,0,0,0|3,0,1]=4 264 B5R0.3 N#CC(Cl)C=O MCULE-3516957476 [0,0,0,0,0,0|2,0,1]=3 265 B5R0.3 N#CC(Cl)CCl MCULE-2637194973 [0,0,0,0,0,0|3,0,1]=4 266 B5R0.3 N#CC(N)CO MCULE-5918855868 [0,0,0,0,0,0|3,0,1]=4 267 B5R0.3 N#CC(N)CO MCULE-8439000158 [0,0,0,0,0,0|3,0,1]=4 268 B5R0.3 NC(CF)CF MCULE-4671221738 [0,0,0,0,0,0|3,0,1]=4 269 B5R0.3 NC(CF)CF MCULE-8916274721 [0,0,0,0,0,0|3,0,1]=4 270 B5R0.3 NC(CO)CF MCULE-3756808200 [0,0,0,0,0,0|2,0,2]=4 271 B5R0.3 NC(CO)CF MCULE-9468719402 [0,0,0,0,0,0|2,0,2]=4 272 B5R0.3 NC(CO)CO MCULE-1559988016 [0,0,0,0,0,0|2,0,2]=4 273 B5R0.3 NC(CO)CO MCULE-4954119952 [0,0,0,0,0,0|2,0,2]=4 274 B5R0.3 NCC(Br)CBr MCULE-4507622045 [0,0,0,0,0,0|3,0,1]=4 275 B5R0.3 NCC(Br)CBr MCULE-9707598399 [0,0,0,0,0,0|3,0,1]=4 276 B5R0.3 NCC(F)CN MCULE-8855486562 [0,0,0,0,0,0|3,0,1]=4 277 B5R0.3 NCC(F)CO MCULE-6156319956 [0,0,0,0,0,0|2,0,2]=4 278 B5R0.3 NCC(F)CO MCULE-7472307328 [0,0,0,0,0,0|2,0,2]=4 279 B5R0.3 NCC(O)CCl MCULE-1566349721 [0,0,0,0,0,0|3,0,1]=4 280 B5R0.3 NCC(O)CCl MCULE-3532626994 [0,0,0,0,0,0|3,0,1]=4 281 B5R0.3 NCC(O)CCl MCULE-5045913208 [0,0,0,0,0,0|3,0,1]=4 282 B5R0.3 NCC(O)CCl MCULE-7168455596 [0,0,0,0,0,0|3,0,1]=4 283 B5R0.3 NCC(O)CF MCULE-7529777116 [0,0,0,0,0,0|3,0,1]=4 284 B5R0.3 NCC(O)CF MCULE-8092861019 [0,0,0,0,0,0|3,0,1]=4 285 B5R0.3 NCC(O)CN MCULE-4689186078 [0,0,0,0,0,0|3,0,1]=4 286 B5R0.3 NCC(O)CO MCULE-2689763818 [0,0,0,0,0,0|2,0,2]=4 287 B5R0.3 NCC(O)CO MCULE-6096620010 [0,0,0,0,0,0|2,0,2]=4 288 B5R0.3 NCC(O)CO MCULE-7307777212 [0,0,0,0,0,0|2,0,2]=4 289 B5R0.3 NC[C@@H](F)CO MCULE-3273711180 [0,0,0,0,0,0|2,0,2]=4 290 B5R0.3 NC[C@@H](F)CO MCULE-6673969522 [0,0,0,0,0,0|2,0,2]=4 291 B5R0.3 NC[C@@H](N)CO MCULE-7333007012 [0,0,0,0,0,0|2,0,2]=4 292 B5R0.3 NC[C@@H](N)CO MCULE-9200386635 [0,0,0,0,0,0|2,0,2]=4 293 B5R0.3 NC[C@@H](O)CCl MCULE-1905964392 [0,0,0,0,0,0|3,0,1]=4 294 B5R0.3 NC[C@@H](O)CCl MCULE-5592096864 [0,0,0,0,0,0|3,0,1]=4 295 B5R0.3 NC[C@@H](O)CCl MCULE-5723497450 [0,0,0,0,0,0|3,0,1]=4 296 B5R0.3 NC[C@@H](O)CCl MCULE-7112738263 [0,0,0,0,0,0|3,0,1]=4 297 B5R0.3 NC[C@@H](O)CO MCULE-7897503444 [0,0,0,0,0,0|2,0,2]=4 298 B5R0.3 NC[C@@H](O)CO MCULE-8044821624 [0,0,0,0,0,0|2,0,2]=4 299 B5R0.3 NC[C@@H](O)CO MCULE-9443333756 [0,0,0,0,0,0|2,0,2]=4 300 B5R0.3 NC[C@H](F)CO MCULE-2595736378 [0,0,0,0,0,0|2,0,2]=4 301 B5R0.3 NC[C@H](F)CO MCULE-7417074078 [0,0,0,0,0,0|2,0,2]=4 302 B5R0.3 NC[C@H](F)CO MCULE-7938231499 [0,0,0,0,0,0|2,0,2]=4 303 B5R0.3 NC[C@H](N)CO MCULE-1060049548 [0,0,0,0,0,0|2,0,2]=4 304 B5R0.3 NC[C@H](N)CO MCULE-9942356112 [0,0,0,0,0,0|2,0,2]=4 305 B5R0.3 NC[C@H](O)CBr MCULE-4679771824 [0,0,0,0,0,0|3,0,1]=4 306 B5R0.3 NC[C@H](O)CBr MCULE-4785059460 [0,0,0,0,0,0|3,0,1]=4 307 B5R0.3 NC[C@H](O)CCl MCULE-3625478007 [0,0,0,0,0,0|3,0,1]=4 308 B5R0.3 NC[C@H](O)CCl MCULE-6692503791 [0,0,0,0,0,0|3,0,1]=4 309 B5R0.3 NC[C@H](O)CO MCULE-5835551322 [0,0,0,0,0,0|2,0,2]=4 310 B5R0.3 NC[C@H](O)CO MCULE-6021133883 [0,0,0,0,0,0|2,0,2]=4 311 B5R0.3 NC[C@H](O)CO MCULE-7461568841 [0,0,0,0,0,0|2,0,2]=4 312 B5R0.3 NC[C@H](O)CO MCULE-8112454132 [0,0,0,0,0,0|2,0,2]=4 313 B5R0.3 N[C@@H](CO)CF MCULE-1103631898 [0,0,0,0,0,0|2,0,2]=4 314 B5R0.3 N[C@@H](CO)CF MCULE-1137418239 [0,0,0,0,0,0|2,0,2]=4 315 B5R0.3 N[C@@H](CO)CF MCULE-7452275160 [0,0,0,0,0,0|2,0,2]=4 316 B5R0.3 N[C@@H](CO)CF MCULE-9154795583 [0,0,0,0,0,0|2,0,2]=4 317 B5R0.3 N[C@H](CO)CF MCULE-1070351343 [0,0,0,0,0,0|2,0,2]=4 318 B5R0.3 N[C@H](CO)CF MCULE-4715788718 [0,0,0,0,0,0|2,0,2]=4 319 B5R0.3 N[C@H](CO)CF MCULE-8220585202 [0,0,0,0,0,0|2,0,2]=4 320 B5R0.3 N[C@H](CO)CF MCULE-8991857376 [0,0,0,0,0,0|2,0,2]=4 321 B5R0.3 O=CC(=CO)Br MCULE-8777401868 [0,0,0,0,0,0|2,0,2]=4 322 B5R0.3 O=CC(=C[O-])F MCULE-8068241665 [0,0,0,0,0,0|2,0,2]=4 323 B5R0.3 O=CC(=C[O-])F MCULE-9099292239 [0,0,0,0,0,0|2,0,2]=4 324 B5R0.3 O=CC(=O)CO MCULE-7273475675 [0,0,0,0,0,0|2,0,1]=3 325 B5R0.3 O=CC(Br)C=O MCULE-4387864308 [0,0,0,0,0,0|2,0,1]=3 326 B5R0.3 O=CC(Cl)C=O MCULE-4927811862 [0,0,0,0,0,0|2,0,1]=3 327 B5R0.3 O=CC(O)CO MCULE-9581740191 [0,0,0,0,0,0|2,0,0]=2 328 B5R0.3 O=C[C@@H](O)CO MCULE-3883857491 [0,0,0,0,0,0|2,0,0]=2 329 B5R0.3 O=C[C@@H](O)CO MCULE-7852783182 [0,0,0,0,0,0|2,0,0]=2 330 B5R0.3 O=C[C@H](O)CO MCULE-4574984840 [0,0,0,0,0,0|2,0,0]=2 331 B5R0.3 OC(CBr)CBr MCULE-9071238259 [0,0,0,0,0,0|3,0,1]=4 332 B5R0.3 OC(CCl)CBr MCULE-3844020597 [0,0,0,0,0,0|3,0,1]=4 333 B5R0.3 OC(CCl)CCl MCULE-7873018520 [0,0,0,0,0,0|3,0,1]=4 334 B5R0.3 OC(CCl)CI MCULE-3276637880 [0,0,0,0,0,0|3,0,1]=4 335 B5R0.3 OC(CF)CBr MCULE-3915880352 [0,0,0,0,0,0|3,0,1]=4 336 B5R0.3 OC(CF)CCl MCULE-6441743377 [0,0,0,0,0,0|3,0,1]=4 337 B5R0.3 OC(CF)CF MCULE-3360341794 [0,0,0,0,0,0|3,0,1]=4 338 B5R0.3 OC(CI)CI MCULE-6842895270 [0,0,0,0,0,0|3,0,1]=4 339 B5R0.3 OCC(Br)CBr MCULE-9616107956 [0,0,0,0,0,0|2,0,2]=4 340 B5R0.3 OCC(Br)CO MCULE-9272628834 [0,0,0,0,0,0|2,0,2]=4 341 B5R0.3 OCC(Cl)CCl MCULE-2120585852 [0,0,0,0,0,0|2,0,2]=4 342 B5R0.3 OCC(Cl)CO MCULE-7487945326 [0,0,0,0,0,0|2,0,2]=4 343 B5R0.3 OCC(F)CBr MCULE-2889937576 [0,0,0,0,0,0|2,0,2]=4 344 B5R0.3 OCC(F)CO MCULE-2970537690 [0,0,0,0,0,0|2,0,2]=4 345 B5R0.3 OCC(O)CBr MCULE-9116190245 [0,0,0,0,0,0|2,0,2]=4 346 B5R0.3 OCC(O)CCl MCULE-7895191088 [0,0,0,0,0,0|2,0,2]=4 347 B5R0.3 OCC(O)CCl MCULE-8992242488 [0,0,0,0,0,0|2,0,2]=4 348 B5R0.3 OCC(O)CF MCULE-3575952891 [0,0,0,0,0,0|2,0,2]=4 349 B5R0.3 OCC(O)CF MCULE-8981430411 [0,0,0,0,0,0|2,0,2]=4 350 B5R0.3 OCC(O)CI MCULE-6705992930 [0,0,0,0,0,0|2,0,2]=4 351 B5R0.3 OCC(O)CO MCULE-6349111826 [0,0,0,0,0,0|2,0,2]=4 352 B5R0.3 OCC(O)CS MCULE-6300188207 [0,0,0,0,0,0|2,0,2]=4 353 B5R0.3 OCC(S)CS MCULE-9735516119 [0,0,0,0,0,0|2,0,2]=4 354 B5R0.3 OC[C@@H](O)CCl MCULE-1311776512 [0,0,0,0,0,0|2,0,2]=4 355 B5R0.3 OC[C@@H](O)CCl MCULE-2685107404 [0,0,0,0,0,0|2,0,2]=4 356 B5R0.3 OC[C@@H](O)CF MCULE-3274443966 [0,0,0,0,0,0|2,0,2]=4 357 B5R0.3 OC[C@@H](O)CF MCULE-5908395855 [0,0,0,0,0,0|2,0,2]=4 358 B5R0.3 OC[C@H](O)CBr MCULE-5035020863 [0,0,0,0,0,0|2,0,2]=4 359 B5R0.3 OC[C@H](O)CCl MCULE-2098232262 [0,0,0,0,0,0|2,0,2]=4 360 B5R0.3 OC[C@H](O)CCl MCULE-5801605349 [0,0,0,0,0,0|2,0,2]=4 361 B5R0.3 OC[C@H](O)CF MCULE-3309672397 [0,0,0,0,0,0|2,0,2]=4 362 B5R0.3 OC[C@H](O)CF MCULE-7695783253 [0,0,0,0,0,0|2,0,2]=4 363 B5R0.3 O[C@@H](CCl)CI MCULE-5324720097 [0,0,0,0,0,0|3,0,1]=4 364 B5R0.3 O[C@H](CCl)CI MCULE-2790157830 [0,0,0,0,0,0|3,0,1]=4 365 B5R0.3 [C@H](O)(CN)CCl MCULE-1220791610 [0,0,0,0,0,0|3,0,1]=4 366 B5R0.3 [C@H](O)(CN)CCl MCULE-4106901858 [0,0,0,0,0,0|3,0,1]=4 367 B4R0.1 BrCC(Br)Br MCULE-1904439252 [1,0,0,0,0,0|3,0,0]=4 368 B4R0.1 C#CC(=C)C MCULE-6826835331 [1,0,0,0,0,0|0,0,3]=4 369 B4R0.1 C#CC(=O)C MCULE-1296030711 [1,0,0,0,0,0|0,0,3]=4 370 B4R0.1 C#CC(C)Br MCULE-6701225038 [1,0,0,0,0,0|1,0,2]=4 371 B4R0.1 C#CC(C)C MCULE-4600802925 [1,0,0,0,0,0|1,0,1]=3 372 B4R0.1 C#CC(C)Cl MCULE-2069451312 [1,0,0,0,0,0|1,0,2]=4 373 B4R0.1 C#CC(C)N MCULE-5174459541 [1,0,0,0,0,0|1,0,2]=4 374 B4R0.1 C#CC(C)N MCULE-7552261137 [1,0,0,0,0,0|1,0,2]=4 375 B4R0.1 C#CC(C)N MCULE-8458008104 [1,0,0,0,0,0|1,0,2]=4 376 B4R0.1 C#CC(C)N MCULE-8872781976 [1,0,0,0,0,0|1,0,2]=4 377 B4R0.1 C#CC(C)O MCULE-6692690957 [1,0,0,0,0,0|0,0,3]=4 378 B4R0.1 C#CC(C)O MCULE-8115962170 [1,0,0,0,0,0|0,0,3]=4 379 B4R0.1 C#C[C@@H](C)N MCULE-1688945745 [1,0,0,0,0,0|1,0,2]=4 380 B4R0.1 C#C[C@@H](C)N MCULE-2648127023 [1,0,0,0,0,0|1,0,2]=4 381 B4R0.1 C#C[C@@H](C)N MCULE-4450167680 [1,0,0,0,0,0|1,0,2]=4 382 B4R0.1 C#C[C@@H](C)N MCULE-5940189329 [1,0,0,0,0,0|1,0,2]=4 383 B4R0.1 C#C[C@@H](C)O MCULE-3014030718 [1,0,0,0,0,0|0,0,3]=4 384 B4R0.1 C#C[C@@H](C)O MCULE-5925379513 [1,0,0,0,0,0|0,0,3]=4 385 B4R0.1 C#C[C@H](C)N MCULE-1256303297 [1,0,0,0,0,0|1,0,2]=4 386 B4R0.1 C#C[C@H](C)N MCULE-4223264163 [1,0,0,0,0,0|1,0,2]=4 387 B4R0.1 C#C[C@H](C)N MCULE-9450573338 [1,0,0,0,0,0|1,0,2]=4 388 B4R0.1 C#C[C@H](C)N MCULE-9795039145 [1,0,0,0,0,0|1,0,2]=4 389 B4R0.1 C#C[C@H](C)O MCULE-3264536845 [1,0,0,0,0,0|0,0,3]=4 390 B4R0.1 C(C)(N)CN MCULE-5877041140 [1,0,0,0,0,0|2,0,0]=3 391 B4R0.1 C(C)(N)CO MCULE-5844242932 [1,0,0,0,0,0|2,0,0]=3 392 B4R0.1 C/C=C(/C)\Cl MCULE-6841426098 [1,0,0,0,0,0|1,0,2]=4 393 B4R0.1 C/C=C(\C)/Br MCULE-3045523462 [1,0,0,0,0,0|1,0,2]=4 394 B4R0.1 C/C=C(\C)/Cl MCULE-4683862502 [1,0,0,0,0,0|1,0,2]=4 395 B4R0.1 C=C(Br)C=O MCULE-9500973388 [1,0,0,0,0,0|1,0,2]=4 396 B4R0.1 C=C(Br)CBr MCULE-1222617820 [1,0,0,0,0,0|2,0,1]=4 397 B4R0.1 C=C(Br)CC MCULE-6271946451 [1,0,0,0,0,0|1,0,1]=3 398 B4R0.1 C=C(Br)CN MCULE-1170417597 [1,0,0,0,0,0|2,0,1]=4 399 B4R0.1 C=C(Br)CN MCULE-9190049156 [1,0,0,0,0,0|2,0,1]=4 400 B4R0.1 C=C(Br)CO MCULE-7763893047 [1,0,0,0,0,0|2,0,1]=4 401 B4R0.1 C=C(C)C#N MCULE-9177849910 [1,0,0,0,0,0|1,0,2]=4 402 B4R0.1 C=C(C)C=O MCULE-3758355501 [1,0,0,0,0,0|0,0,2]=3 403 B4R0.1 C=C(C)CBr MCULE-1361893863 [1,0,0,0,0,0|1,0,1]=3 404 B4R0.1 C=C(C)CCl MCULE-5586406339 [1,0,0,0,0,0|1,0,1]=3 405 B4R0.1 C=C(C)CI MCULE-3678124406 [1,0,0,0,0,0|1,0,1]=3 406 B4R0.1 C=C(C)CN MCULE-1033495975 [1,0,0,0,0,0|1,0,1]=3 407 B4R0.1 C=C(C)CN MCULE-8730181300 [1,0,0,0,0,0|1,0,1]=3 408 B4R0.1 C=C(C)CO MCULE-8641288398 [1,0,0,0,0,0|1,0,1]=3 409 B4R0.1 C=C(C)CS MCULE-5174170431 [1,0,0,0,0,0|1,0,1]=3 410 B4R0.1 C=C(C)OC MCULE-7344104255 [1,0,0,0,0,0|1,0,1]=3 411 B4R0.1 C=C(Cl)CBr MCULE-9398157024 [1,0,0,0,0,0|2,0,1]=4 412 B4R0.1 C=C(Cl)CCl MCULE-4210429118 [1,0,0,0,0,0|2,0,1]=4 413 B4R0.1 C=C(Cl)CI MCULE-1908004565 [1,0,0,0,0,0|2,0,1]=4 414 B4R0.1 C=C(Cl)CN MCULE-2159410121 [1,0,0,0,0,0|2,0,1]=4 415 B4R0.1 C=C(Cl)CN MCULE-3454023553 [1,0,0,0,0,0|2,0,1]=4 416 B4R0.1 C=C(Cl)CO MCULE-8813337564 [1,0,0,0,0,0|2,0,1]=4 417 B4R0.1 C=C(F)CBr MCULE-6528430141 [1,0,0,0,0,0|2,0,1]=4 418 B4R0.1 C=C(F)CCl MCULE-4499400030 [1,0,0,0,0,0|2,0,1]=4 419 B4R0.1 C=C(F)CN MCULE-1603171858 [1,0,0,0,0,0|2,0,1]=4 420 B4R0.1 C=C(F)CN MCULE-3878727292 [1,0,0,0,0,0|2,0,1]=4 421 B4R0.1 C=C(F)CO MCULE-2779963696 [1,0,0,0,0,0|2,0,1]=4 422 B4R0.1 C=C(I)CO MCULE-2533897125 [1,0,0,0,0,0|2,0,1]=4 423 B4R0.1 C=C=C(C)C MCULE-8705186354 [1,0,0,0,0,0|1,0,2]=4 424 B4R0.1 C=CC(=C)C MCULE-1668999564 [1,0,0,0,0,0|0,0,3]=4 425 B4R0.1 C=CC(=O)C MCULE-4924646293 [1,0,0,0,0,0|0,0,3]=4 426 B4R0.1 C=CC(C)Cl MCULE-1756172983 [1,0,0,0,0,0|2,0,0]=3 427 B4R0.1 C=CC(C)N MCULE-5748048106 [1,0,0,0,0,0|2,0,0]=3 428 B4R0.1 C=CC(C)N MCULE-6786590923 [1,0,0,0,0,0|2,0,0]=3 429 B4R0.1 C=CC(C)O MCULE-4525368256 [1,0,0,0,0,0|2,0,0]=3 430 B4R0.1 C=C[C@@H](C)N MCULE-4388444035 [1,0,0,0,0,0|2,0,0]=3 431 B4R0.1 C=C[C@@H](C)N MCULE-6107415849 [1,0,0,0,0,0|2,0,0]=3 432 B4R0.1 C=C[C@@H](C)N MCULE-6707490046 [1,0,0,0,0,0|2,0,0]=3 433 B4R0.1 C=C[C@@H](C)N MCULE-9654995108 [1,0,0,0,0,0|2,0,0]=3 434 B4R0.1 C=C[C@H](C)N MCULE-1396113041 [1,0,0,0,0,0|2,0,0]=3 435 B4R0.1 C=C[C@H](C)N MCULE-2197513722 [1,0,0,0,0,0|2,0,0]=3 436 B4R0.1 C=C[C@H](C)N MCULE-4698235480 [1,0,0,0,0,0|2,0,0]=3 437 B4R0.1 C=C[C@H](C)N MCULE-8745929233 [1,0,0,0,0,0|2,0,0]=3 438 B4R0.1 C=C[C@H](C)O MCULE-2251589245 [1,0,0,0,0,0|2,0,0]=3 439 B4R0.1 C=NN(C)C MCULE-4915917395 [1,0,0,0,0,0|3,0,0]=4 440 B4R0.1 CC(=CBr)C MCULE-9508381610 [1,0,0,0,0,0|1,0,1]=3 441 B4R0.1 CC(=CCl)C MCULE-4321554138 [1,0,0,0,0,0|1,0,1]=3 442 B4R0.1 CC(=CCl)Cl MCULE-3528888685 [1,0,0,0,0,0|2,0,1]=4 443 B4R0.1 CC(=NN)C MCULE-8828852790 [1,0,0,0,0,0|2,0,1]=4 444 B4R0.1 CC(=NO)C MCULE-3243100216 [1,0,0,0,0,0|1,0,2]=4 445 B4R0.1 CC(=O)C#N MCULE-6317771757 [1,0,0,0,0,0|1,0,2]=4 446 B4R0.1 CC(=O)C=O MCULE-2718961814 [1,0,0,0,0,0|1,0,1]=3 447 B4R0.1 CC(=O)CBr MCULE-7812920675 [1,0,0,0,0,0|1,0,1]=3 448 B4R0.1 CC(=O)CCl MCULE-2501365933 [1,0,0,0,0,0|1,0,1]=3 449 B4R0.1 CC(=O)CF MCULE-7417279999 [1,0,0,0,0,0|1,0,1]=3 450 B4R0.1 CC(=O)CN MCULE-2715277783 [1,0,0,0,0,0|1,0,1]=3 451 B4R0.1 CC(=O)CN MCULE-6004541862 [1,0,0,0,0,0|1,0,1]=3 452 B4R0.1 CC(=O)CO MCULE-2989526028 [1,0,0,0,0,0|1,0,1]=3 453 B4R0.1 CC(=O)CS MCULE-9736174016 [1,0,0,0,0,0|1,0,1]=3 454 B4R0.1 CC(=O)NBr MCULE-6502070876 [1,0,0,0,0,0|2,0,1]=4 455 B4R0.1 CC(=O)NN MCULE-9183467120 [1,0,0,0,0,0|2,0,1]=4 456 B4R0.1 CC(=O)NO MCULE-2682231025 [1,0,0,0,0,0|2,0,1]=4 457 B4R0.1 CC(=O)OO MCULE-6028338742 [1,0,0,0,0,0|2,0,1]=4 458 B4R0.1 CC(Br)C#N MCULE-2994851090 [1,0,0,0,0,0|2,0,1]=4 459 B4R0.1 CC(Br)C=O MCULE-6060704330 [1,0,0,0,0,0|1,0,0]=2 460 B4R0.1 CC(Br)CBr MCULE-6304574748 [1,0,0,0,0,0|2,0,0]=3 461 B4R0.1 CC(Br)CCl MCULE-8021380791 [1,0,0,0,0,0|2,0,0]=3 462 B4R0.1 CC(Br)CN MCULE-5214613046 [1,0,0,0,0,0|2,0,0]=3 463 B4R0.1 CC(Br)CN MCULE-6326218362 [1,0,0,0,0,0|2,0,0]=3 464 B4R0.1 CC(Br)CO MCULE-8344365003 [1,0,0,0,0,0|2,0,0]=3 465 B4R0.1 CC(C)C#N MCULE-8390118776 [1,0,0,0,0,0|1,0,1]=3 466 B4R0.1 CC(C)C=O MCULE-3575731904 [1,0,0,0,0,0|0,0,0]=1 467 B4R0.1 CC(C)CBr MCULE-6039420480 [1,0,0,0,0,0|1,0,1]=3 468 B4R0.1 CC(C)CCl MCULE-6524976746 [1,0,0,0,0,0|1,0,1]=3 469 B4R0.1 CC(C)CI MCULE-5280589461 [1,0,0,0,0,0|1,0,1]=3 470 B4R0.1 CC(C)CN MCULE-2158650588 [1,0,0,0,0,0|1,0,1]=3 471 B4R0.1 CC(C)CN MCULE-6751437658 [1,0,0,0,0,0|1,0,1]=3 472 B4R0.1 CC(C)CN MCULE-8319193456 [1,0,0,0,0,0|1,0,1]=3 473 B4R0.1 CC(C)CN MCULE-8705657065 [1,0,0,0,0,0|1,0,1]=3 474 B4R0.1 CC(C)CO MCULE-6294327194 [1,0,0,0,0,0|0,0,2]=3 475 B4R0.1 CC(C)CP MCULE-3724358658 [1,0,0,0,0,0|1,0,1]=3 476 B4R0.1 CC(C)CS MCULE-7978911055 [1,0,0,0,0,0|0,1,1]=3 477 B4R0.1 CC(C)NN MCULE-4673953224 [1,0,0,0,0,0|2,0,0]=3 478 B4R0.1 CC(C)NN MCULE-7901160798 [1,0,0,0,0,0|2,0,0]=3 479 B4R0.1 CC(C)NN MCULE-9473118288 [1,0,0,0,0,0|2,0,0]=3 480 B4R0.1 CC(C)NO MCULE-6516566403 [1,0,0,0,0,0|1,0,1]=3 481 B4R0.1 CC(C)NO MCULE-8545146035 [1,0,0,0,0,0|1,0,1]=3 482 B4R0.1 CC(C)ON MCULE-4063407094 [1,0,0,0,0,0|2,0,0]=3 483 B4R0.1 CC(C)ON MCULE-9108231771 [1,0,0,0,0,0|2,0,0]=3 484 B4R0.1 CC(C)O[NH3+] MCULE-7527132972 [1,0,0,0,0,0|2,0,0]=3 485 B4R0.1 CC(C)O[NH3+] MCULE-8847326857 [1,0,0,0,0,0|2,0,0]=3 486 B4R0.1 CC(Cl)C#N MCULE-9841634909 [1,0,0,0,0,0|2,0,1]=4 487 B4R0.1 CC(Cl)CBr MCULE-8474943880 [1,0,0,0,0,0|2,0,0]=3 488 B4R0.1 CC(Cl)CCl MCULE-1548912109 [1,0,0,0,0,0|2,0,0]=3 489 B4R0.1 CC(Cl)CN MCULE-2637316379 [1,0,0,0,0,0|2,0,0]=3 490 B4R0.1 CC(Cl)CN MCULE-5591419030 [1,0,0,0,0,0|2,0,0]=3 491 B4R0.1 CC(Cl)CO MCULE-3857255988 [1,0,0,0,0,0|2,0,0]=3 492 B4R0.1 CC(Cl)CO MCULE-7538548427 [1,0,0,0,0,0|2,0,0]=3 493 B4R0.1 CC(F)CN MCULE-6584490651 [1,0,0,0,0,0|2,0,0]=3 494 B4R0.1 CC(F)CN MCULE-9499916116 [1,0,0,0,0,0|2,0,0]=3 495 B4R0.1 CC(F)CO MCULE-6006763378 [1,0,0,0,0,0|2,0,0]=3 496 B4R0.1 CC(N)C#N MCULE-4008524363 [1,0,0,0,0,0|2,0,1]=4 497 B4R0.1 CC(N)C#N MCULE-8654767875 [1,0,0,0,0,0|2,0,1]=4 498 B4R0.1 CC(N)C=O MCULE-3421118418 [1,0,0,0,0,0|1,0,0]=2 499 B4R0.1 CC(N)CBr MCULE-1783493149 [1,0,0,0,0,0|2,0,0]=3 500 B4R0.1 CC(N)CBr MCULE-2775398297 [1,0,0,0,0,0|2,0,0]=3 501 B4R0.1 CC(N)CCl MCULE-8652434595 [1,0,0,0,0,0|2,0,0]=3 502 B4R0.1 CC(N)CCl MCULE-9580466630 [1,0,0,0,0,0|2,0,0]=3 503 B4R0.1 CC(N)CF MCULE-1603143200 [1,0,0,0,0,0|2,0,0]=3 504 B4R0.1 CC(N)CF MCULE-3787216870 [1,0,0,0,0,0|2,0,0]=3 505 B4R0.1 CC(N)CF MCULE-4138869746 [1,0,0,0,0,0|2,0,0]=3 506 B4R0.1 CC(N)CF MCULE-8611760275 [1,0,0,0,0,0|2,0,0]=3 507 B4R0.1 CC(N)CN MCULE-2119036110 [1,0,0,0,0,0|2,0,0]=3 508 B4R0.1 CC(N)CN MCULE-6286216576 [1,0,0,0,0,0|2,0,0]=3 509 B4R0.1 CC(N)CN MCULE-9919433465 [1,0,0,0,0,0|2,0,0]=3 510 B4R0.1 CC(N)CO MCULE-1361379423 [1,0,0,0,0,0|2,0,0]=3 511 B4R0.1 CC(N)CO MCULE-2098440985 [1,0,0,0,0,0|2,0,0]=3 512 B4R0.1 CC(N)CS MCULE-1396853557 [1,0,0,0,0,0|2,0,0]=3 513 B4R0.1 CC(N)CS MCULE-4094732666 [1,0,0,0,0,0|2,0,0]=3 514 B4R0.1 CC(O)C#N MCULE-3166802314 [1,0,0,0,0,0|1,0,2]=4 515 B4R0.1 CC(O)CBr MCULE-7835094737 [1,0,0,0,0,0|1,0,1]=3 516 B4R0.1 CC(O)CCl MCULE-9140807958 [1,0,0,0,0,0|1,0,1]=3 517 B4R0.1 CC(O)CF MCULE-1023052065 [1,0,0,0,0,0|1,0,1]=3 518 B4R0.1 CC(O)CN MCULE-4370440652 [1,0,0,0,0,0|1,0,1]=3 519 B4R0.1 CC(O)CN MCULE-5694317743 [1,0,0,0,0,0|1,0,1]=3 520 B4R0.1 CC(O)CN MCULE-6406041538 [1,0,0,0,0,0|1,0,1]=3 521 B4R0.1 CC(O)CN MCULE-6636652305 [1,0,0,0,0,0|1,0,1]=3 522 B4R0.1 CC(O)CO MCULE-5574440784 [1,0,0,0,0,0|1,0,1]=3 523 B4R0.1 CC(O)CO MCULE-8743139013 [1,0,0,0,0,0|1,0,1]=3 524 B4R0.1 CC(O)CS MCULE-7881083356 [1,0,0,0,0,0|1,0,1]=3 525 B4R0.1 CC(O)C[NH3+] MCULE-6871369474 [1,0,0,0,0,0|1,0,1]=3 526 B4R0.1 CC(S)CN MCULE-1957568322 [1,0,0,0,0,0|1,1,0]=3 527 B4R0.1 CC(S)CN MCULE-7469442412 [1,0,0,0,0,0|1,1,0]=3 528 B4R0.1 CC(S)CO MCULE-5090908062 [1,0,0,0,0,0|1,1,0]=3 529 B4R0.1 CC(S)CS MCULE-9264694858 [1,0,0,0,0,0|1,1,0]=3 530 B4R0.1 CC=C(C)Br MCULE-1371905211 [1,0,0,0,0,0|1,0,2]=4 531 B4R0.1 CC=C(C)C MCULE-4230157245 [1,0,0,0,0,0|1,0,1]=3 532 B4R0.1 CC=C(C)Cl MCULE-3844314543 [1,0,0,0,0,0|1,0,2]=4 533 B4R0.1 CCB(O)O MCULE-1650960999 [1,0,0,0,0,0|2,0,1]=4 534 B4R0.1 CCC(=N)N MCULE-1856575742 [1,0,0,0,0,0|2,0,1]=4 535 B4R0.1 CCC(=N)N MCULE-2534386807 [1,0,0,0,0,0|2,0,1]=4 536 B4R0.1 CCC(=O)Br MCULE-7870678619 [1,0,0,0,0,0|1,0,1]=3 537 B4R0.1 CCC(=O)C MCULE-8276670748 [1,0,0,0,0,0|0,0,1]=2 538 B4R0.1 CCC(=O)Cl MCULE-3081874391 [1,0,0,0,0,0|1,0,1]=3 539 B4R0.1 CCC(=O)F MCULE-8783887670 [1,0,0,0,0,0|1,0,1]=3 540 B4R0.1 CCC(=O)N MCULE-3730796130 [1,0,0,0,0,0|1,0,1]=3 541 B4R0.1 CCC(=O)O MCULE-2199051150 [1,0,0,0,0,0|1,0,1]=3 542 B4R0.1 CCC(=O)O MCULE-9800054040 [1,0,0,0,0,0|1,0,1]=3 543 B4R0.1 CCC(=O)S MCULE-3392119766 [1,0,0,0,0,0|1,0,1]=3 544 B4R0.1 CCC(=O)[O-] MCULE-6321502767 [1,0,0,0,0,0|1,0,1]=3 545 B4R0.1 CCC(=S)N MCULE-3921479699 [1,0,0,0,0,0|1,1,1]=4 546 B4R0.1 CCC(C)Br MCULE-9661620259 [1,0,0,0,0,0|1,0,0]=2 547 B4R0.1 CCC(C)C MCULE-5376105936 [1,0,0,0,0,0|0,0,1]=2 548 B4R0.1 CCC(C)Cl MCULE-2954418486 [1,0,0,0,0,0|1,0,0]=2 549 B4R0.1 CCC(C)I MCULE-5239699587 [1,0,0,0,0,0|1,0,0]=2 550 B4R0.1 CCC(C)N MCULE-5041676035 [1,0,0,0,0,0|1,0,0]=2 551 B4R0.1 CCC(C)N MCULE-5835091553 [1,0,0,0,0,0|1,0,0]=2 552 B4R0.1 CCC(C)N MCULE-6631606230 [1,0,0,0,0,0|1,0,0]=2 553 B4R0.1 CCC(C)N MCULE-8165681721 [1,0,0,0,0,0|1,0,0]=2 554 B4R0.1 CCC(C)O MCULE-4099350806 [1,0,0,0,0,0|0,0,1]=2 555 B4R0.1 CCC(C)O MCULE-5005120003 [1,0,0,0,0,0|0,0,1]=2 556 B4R0.1 CCC(C)S MCULE-4988033753 [1,0,0,0,0,0|0,1,0]=2 557 B4R0.1 CCN(=O)=O MCULE-6603591614 [1,0,0,0,0,0|2,0,0]=3 558 B4R0.1 CCN(C)C MCULE-5825033552 [1,0,0,0,0,0|1,0,1]=3 559 B4R0.1 CCN(C)N MCULE-2279492356 [1,0,0,0,0,0|2,0,0]=3 560 B4R0.1 CCN(C)N MCULE-5660338703 [1,0,0,0,0,0|2,0,0]=3 561 B4R0.1 CCN(C)N MCULE-9839987578 [1,0,0,0,0,0|2,0,0]=3 562 B4R0.1 CCS(=O)C MCULE-4400935745 [1,0,0,0,0,0|1,0,0]=2 563 B4R0.1 CCS(=O)O MCULE-9872932319 [1,0,0,0,0,0|2,0,0]=3 564 B4R0.1 CCS(=O)[O-] MCULE-4386198822 [1,0,0,0,0,0|2,0,0]=3 565 B4R0.1 CC[C@@H](C)N MCULE-2017255826 [1,0,0,0,0,0|1,0,0]=2 566 B4R0.1 CC[C@@H](C)N MCULE-3555707512 [1,0,0,0,0,0|1,0,0]=2 567 B4R0.1 CC[C@@H](C)N MCULE-6783735598 [1,0,0,0,0,0|1,0,0]=2 568 B4R0.1 CC[C@@H](C)N MCULE-7004219201 [1,0,0,0,0,0|1,0,0]=2 569 B4R0.1 CC[C@@H](C)O MCULE-2661481448 [1,0,0,0,0,0|0,0,1]=2 570 B4R0.1 CC[C@@H](C)O MCULE-6785232833 [1,0,0,0,0,0|0,0,1]=2 571 B4R0.1 CC[C@H](C)N MCULE-2450201533 [1,0,0,0,0,0|1,0,0]=2 572 B4R0.1 CC[C@H](C)N MCULE-2998961427 [1,0,0,0,0,0|1,0,0]=2 573 B4R0.1 CC[C@H](C)N MCULE-6692190471 [1,0,0,0,0,0|1,0,0]=2 574 B4R0.1 CC[C@H](C)N MCULE-6904795465 [1,0,0,0,0,0|1,0,0]=2 575 B4R0.1 CC[C@H](C)O MCULE-3700911573 [1,0,0,0,0,0|0,0,1]=2 576 B4R0.1 CC[C@H](C)O MCULE-6063716138 [1,0,0,0,0,0|0,0,1]=2 577 B4R0.1 CN(C)C#N MCULE-2744421860 [1,0,0,0,0,0|2,0,1]=4 578 B4R0.1 CN(C)C=O MCULE-6290117712 [1,0,0,0,0,0|1,0,0]=2 579 B4R0.1 CN(C)C=S MCULE-3571847382 [1,0,0,0,0,0|1,1,0]=3 580 B4R0.1 CN(C)CCl MCULE-4906480184 [1,0,0,0,0,0|2,0,1]=4 581 B4R0.1 CN(C)CCl MCULE-5465672480 [1,0,0,0,0,0|2,0,1]=4 582 B4R0.1 CN(C)N=O MCULE-1157726226 [1,0,0,0,0,0|2,0,0]=3 583 B4R0.1 CN(N)C=O MCULE-6353057165 [1,0,0,0,0,0|2,0,0]=3 584 B4R0.1 CNC(=O)C MCULE-2612997941 [1,0,0,0,0,0|1,0,1]=3 585 B4R0.1 CNC(=O)Cl MCULE-7743744606 [1,0,0,0,0,0|2,0,1]=4 586 B4R0.1 CNC(=O)N MCULE-6422331704 [1,0,0,0,0,0|2,0,1]=4 587 B4R0.1 CNC(=S)C MCULE-8699171591 [1,0,0,0,0,0|1,1,1]=4 588 B4R0.1 CNC(C)C MCULE-3849513543 [1,0,0,0,0,0|1,0,1]=3 589 B4R0.1 CNN(C)C MCULE-7120869955 [1,0,0,0,0,0|2,0,1]=4 590 B4R0.1 CNN(C)C MCULE-8318926099 [1,0,0,0,0,0|2,0,1]=4 591 B4R0.1 COC(=N)C MCULE-2752794913 [1,0,0,0,0,0|2,0,1]=4 592 B4R0.1 COC(=N)C MCULE-2904991083 [1,0,0,0,0,0|2,0,1]=4 593 B4R0.1 COC(=O)C MCULE-7368066093 [1,0,0,0,0,0|1,0,1]=3 594 B4R0.1 COC(=O)Cl MCULE-8022274771 [1,0,0,0,0,0|2,0,1]=4 595 B4R0.1 COC(=O)N MCULE-4070607369 [1,0,0,0,0,0|2,0,1]=4 596 B4R0.1 COC(C)Cl MCULE-9043930044 [1,0,0,0,0,0|2,0,0]=3 597 B4R0.1 COC(Cl)Cl MCULE-7296291650 [1,0,0,0,0,0|3,0,0]=4 598 B4R0.1 CSC(=O)C MCULE-7061634598 [1,0,0,0,0,0|1,0,1]=3 599 B4R0.1 CSC(=S)C MCULE-4836153374 [1,0,0,0,0,0|1,1,1]=4 600 B4R0.1 CSC(C)C MCULE-5932565699 [1,0,0,0,0,0|1,0,1]=3 601 B4R0.1 CSS(=O)C MCULE-6515592458 [1,0,0,0,0,0|2,0,0]=3 602 B4R0.1 CS[S+](C)C MCULE-1869043585 [1,0,0,0,0,0|2,0,1]=4 603 B4R0.1 CS[S+](C)C MCULE-4164877790 [1,0,0,0,0,0|2,0,1]=4 604 B4R0.1 C[C@@H](Cl)CO MCULE-4834664531 [1,0,0,0,0,0|2,0,0]=3 605 B4R0.1 C[C@@H](Cl)CO MCULE-8797955903 [1,0,0,0,0,0|2,0,0]=3 606 B4R0.1 C[C@@H](F)CO MCULE-3312305972 [1,0,0,0,0,0|2,0,0]=3 607 B4R0.1 C[C@@H](F)CO MCULE-4754825872 [1,0,0,0,0,0|2,0,0]=3 608 B4R0.1 C[C@@H](N)C#N MCULE-4366493733 [1,0,0,0,0,0|2,0,1]=4 609 B4R0.1 C[C@@H](N)C#N MCULE-4475438132 [1,0,0,0,0,0|2,0,1]=4 610 B4R0.1 C[C@@H](N)C#N MCULE-8152568021 [1,0,0,0,0,0|2,0,1]=4 611 B4R0.1 C[C@@H](N)C#N MCULE-9327848803 [1,0,0,0,0,0|2,0,1]=4 612 B4R0.1 C[C@@H](N)CF MCULE-2227343602 [1,0,0,0,0,0|2,0,0]=3 613 B4R0.1 C[C@@H](N)CF MCULE-2283243747 [1,0,0,0,0,0|2,0,0]=3 614 B4R0.1 C[C@@H](N)CF MCULE-6326763354 [1,0,0,0,0,0|2,0,0]=3 615 B4R0.1 C[C@@H](N)CF MCULE-6630824972 [1,0,0,0,0,0|2,0,0]=3 616 B4R0.1 C[C@@H](N)CN MCULE-5207840256 [1,0,0,0,0,0|2,0,0]=3 617 B4R0.1 C[C@@H](N)CN MCULE-5332214014 [1,0,0,0,0,0|2,0,0]=3 618 B4R0.1 C[C@@H](N)CN MCULE-7816211809 [1,0,0,0,0,0|2,0,0]=3 619 B4R0.1 C[C@@H](N)CN MCULE-7982492466 [1,0,0,0,0,0|2,0,0]=3 620 B4R0.1 C[C@@H](N)CO MCULE-5655560645 [1,0,0,0,0,0|2,0,0]=3 621 B4R0.1 C[C@@H](N)CO MCULE-8066658004 [1,0,0,0,0,0|2,0,0]=3 622 B4R0.1 C[C@@H](O)C=O MCULE-5921136435 [1,0,0,0,0,0|1,0,0]=2 623 B4R0.1 C[C@@H](O)CCl MCULE-4669677883 [1,0,0,0,0,0|1,0,1]=3 624 B4R0.1 C[C@@H](O)CCl MCULE-7670590902 [1,0,0,0,0,0|1,0,1]=3 625 B4R0.1 C[C@@H](O)CN MCULE-9301041927 [1,0,0,0,0,0|1,0,1]=3 626 B4R0.1 C[C@@H](O)CO MCULE-4464598400 [1,0,0,0,0,0|1,0,1]=3 627 B4R0.1 C[C@@H](O)CO MCULE-9914833832 [1,0,0,0,0,0|1,0,1]=3 628 B4R0.1 C[C@@H](O)CS MCULE-8817452889 [1,0,0,0,0,0|1,0,1]=3 629 B4R0.1 C[C@H](Cl)CO MCULE-6747279587 [1,0,0,0,0,0|2,0,0]=3 630 B4R0.1 C[C@H](Cl)CO MCULE-8509218918 [1,0,0,0,0,0|2,0,0]=3 631 B4R0.1 C[C@H](F)CO MCULE-1024261541 [1,0,0,0,0,0|2,0,0]=3 632 B4R0.1 C[C@H](F)CO MCULE-7028098137 [1,0,0,0,0,0|2,0,0]=3 633 B4R0.1 C[C@H](N)C#N MCULE-2449963253 [1,0,0,0,0,0|2,0,1]=4 634 B4R0.1 C[C@H](N)C#N MCULE-3624286995 [1,0,0,0,0,0|2,0,1]=4 635 B4R0.1 C[C@H](N)CF MCULE-1053227516 [1,0,0,0,0,0|2,0,0]=3 636 B4R0.1 C[C@H](N)CF MCULE-4024916343 [1,0,0,0,0,0|2,0,0]=3 637 B4R0.1 C[C@H](N)CF MCULE-6312285034 [1,0,0,0,0,0|2,0,0]=3 638 B4R0.1 C[C@H](N)CF MCULE-7630744199 [1,0,0,0,0,0|2,0,0]=3 639 B4R0.1 C[C@H](N)CN MCULE-2048837128 [1,0,0,0,0,0|2,0,0]=3 640 B4R0.1 C[C@H](N)CN MCULE-4105152552 [1,0,0,0,0,0|2,0,0]=3 641 B4R0.1 C[C@H](N)CN MCULE-7106390536 [1,0,0,0,0,0|2,0,0]=3 642 B4R0.1 C[C@H](N)CN MCULE-9863306005 [1,0,0,0,0,0|2,0,0]=3 643 B4R0.1 C[C@H](N)CO MCULE-2471107013 [1,0,0,0,0,0|2,0,0]=3 644 B4R0.1 C[C@H](N)CO MCULE-5424195678 [1,0,0,0,0,0|2,0,0]=3 645 B4R0.1 C[C@H](O)CCl MCULE-3018109825 [1,0,0,0,0,0|1,0,1]=3 646 B4R0.1 C[C@H](O)CCl MCULE-5836677540 [1,0,0,0,0,0|1,0,1]=3 647 B4R0.1 C[C@H](O)CN MCULE-3227371869 [1,0,0,0,0,0|1,0,1]=3 648 B4R0.1 C[C@H](O)CN MCULE-5480489257 [1,0,0,0,0,0|1,0,1]=3 649 B4R0.1 C[C@H](O)CO MCULE-6582852191 [1,0,0,0,0,0|1,0,1]=3 650 B4R0.1 C[C@H](O)CO MCULE-8074793296 [1,0,0,0,0,0|1,0,1]=3 651 B4R0.1 C[C@H](O)CS MCULE-9061842733 [1,0,0,0,0,0|1,0,1]=3 652 B4R0.1 C[N+](=CBr)C MCULE-4078543172 [1,0,0,0,0,0|2,0,0]=3 653 B4R0.1 C[N+](=CBr)C MCULE-9146783444 [1,0,0,0,0,0|2,0,0]=3 654 B4R0.1 C[N+](=CCl)C MCULE-5768539789 [1,0,0,0,0,0|2,0,0]=3 655 B4R0.1 C[N+](=CCl)C MCULE-6936774679 [1,0,0,0,0,0|2,0,0]=3 656 B4R0.1 ClC(Br)CBr MCULE-4330156086 [1,0,0,0,0,0|3,0,0]=4 657 B4R0.1 ClC(Cl)CBr MCULE-8368261609 [1,0,0,0,0,0|3,0,0]=4 658 B4R0.1 ClCC(Cl)Cl MCULE-9302905435 [1,0,0,0,0,0|3,0,0]=4 659 B4R0.1 FC(Br)CBr MCULE-2977436061 [1,0,0,0,0,0|3,0,0]=4 660 B4R0.1 FC(Cl)CCl MCULE-6531960916 [1,0,0,0,0,0|3,0,0]=4 661 B4R0.1 FC(F)CBr MCULE-5166579689 [1,0,0,0,0,0|3,0,0]=4 662 B4R0.1 FC(F)CI MCULE-4051435294 [1,0,0,0,0,0|3,0,0]=4 663 B4R0.1 FCC(F)Cl MCULE-7439685421 [1,0,0,0,0,0|3,0,0]=4 664 B4R0.1 NC(=O)CBr MCULE-9306090536 [1,0,0,0,0,0|2,0,1]=4 665 B4R0.1 NC(=O)CCl MCULE-3241549842 [1,0,0,0,0,0|2,0,1]=4 666 B4R0.1 NC(=O)CF MCULE-3344212657 [1,0,0,0,0,0|2,0,1]=4 667 B4R0.1 NC(=O)CI MCULE-4217973413 [1,0,0,0,0,0|2,0,1]=4 668 B4R0.1 NC(=O)CO MCULE-2739878376 [1,0,0,0,0,0|2,0,1]=4 669 B4R0.1 NC(=O)CS MCULE-2639305532 [1,0,0,0,0,0|2,0,1]=4 670 B4R0.1 NCC(=O)N MCULE-1048848056 [1,0,0,0,0,0|2,0,1]=4 671 B4R0.1 NCC(=O)N MCULE-2174395809 [1,0,0,0,0,0|2,0,1]=4 672 B4R0.1 NCC(=O)N MCULE-6113166250 [1,0,0,0,0,0|2,0,1]=4 673 B4R0.1 NCC(=O)O MCULE-2415764032 [1,0,0,0,0,0|2,0,1]=4 674 B4R0.1 NCC(=O)O MCULE-3643110755 [1,0,0,0,0,0|2,0,1]=4 675 B4R0.1 NCC(=O)O MCULE-4349255299 [1,0,0,0,0,0|2,0,1]=4 676 B4R0.1 NCC(=O)O MCULE-9146223615 [1,0,0,0,0,0|2,0,1]=4 677 B4R0.1 NCC(=O)O MCULE-9701991737 [1,0,0,0,0,0|2,0,1]=4 678 B4R0.1 NCC(=O)S MCULE-9837799864 [1,0,0,0,0,0|2,0,1]=4 679 B4R0.1 NCC(=O)[O-] MCULE-5975202378 [1,0,0,0,0,0|2,0,1]=4 680 B4R0.1 NCC(Cl)Cl MCULE-6022785182 [1,0,0,0,0,0|3,0,0]=4 681 B4R0.1 NCC(Cl)Cl MCULE-8181626787 [1,0,0,0,0,0|3,0,0]=4 682 B4R0.1 NCC(F)F MCULE-5562582586 [1,0,0,0,0,0|3,0,0]=4 683 B4R0.1 NCC(F)F MCULE-9437628707 [1,0,0,0,0,0|3,0,0]=4 684 B4R0.1 NCS(=O)[O-] MCULE-6627922989 [1,0,0,0,0,0|3,0,0]=4 685 B4R0.1 NCS(=O)[O-] MCULE-9434739250 [1,0,0,0,0,0|3,0,0]=4 686 B4R0.1 O=C(Br)CBr MCULE-6031858200 [1,0,0,0,0,0|2,0,1]=4 687 B4R0.1 O=C(Cl)CBr MCULE-7684029984 [1,0,0,0,0,0|2,0,1]=4 688 B4R0.1 O=C(Cl)CCl MCULE-7076914635 [1,0,0,0,0,0|2,0,1]=4 689 B4R0.1 O=C(Cl)CF MCULE-7182087882 [1,0,0,0,0,0|2,0,1]=4 690 B4R0.1 O=C(Cl)CI MCULE-5719121455 [1,0,0,0,0,0|2,0,1]=4 691 B4R0.1 O=C(O)CBr MCULE-1503716137 [1,0,0,0,0,0|2,0,1]=4 692 B4R0.1 O=C(O)CCl MCULE-9228754880 [1,0,0,0,0,0|2,0,1]=4 693 B4R0.1 O=C(O)CF MCULE-6584094437 [1,0,0,0,0,0|2,0,1]=4 694 B4R0.1 O=C(O)CI MCULE-3146792857 [1,0,0,0,0,0|2,0,1]=4 695 B4R0.1 O=C(O)CO MCULE-9792551388 [1,0,0,0,0,0|2,0,1]=4 696 B4R0.1 O=C(O)CS MCULE-8097997001 [1,0,0,0,0,0|2,0,1]=4 697 B4R0.1 O=C([O-])CF MCULE-8428965857 [1,0,0,0,0,0|2,0,1]=4 698 B4R0.1 O=C([O-])CO MCULE-2780567509 [1,0,0,0,0,0|2,0,1]=4 699 B4R0.1 O=C([O-])CS MCULE-3314809220 [1,0,0,0,0,0|2,0,1]=4 700 B4R0.1 O=C([O-])CS MCULE-5989133747 [1,0,0,0,0,0|2,0,1]=4 701 B4R0.1 O=CC(=O)O MCULE-5307898766 [1,0,0,0,0,0|2,0,1]=4 702 B4R0.1 O=CC(Cl)Cl MCULE-7925858204 [1,0,0,0,0,0|2,0,0]=3 703 B4R0.1 O=N(=O)CBr MCULE-5030744397 [1,0,0,0,0,0|3,0,0]=4 704 B4R0.1 O=N(=O)CF MCULE-9920695539 [1,0,0,0,0,0|3,0,0]=4 705 B4R0.1 O=S(O)CO MCULE-4195832185 [1,0,0,0,0,0|3,0,0]=4 706 B4R0.1 O=S([O-])CF MCULE-5711587598 [1,0,0,0,0,0|3,0,0]=4 707 B4R0.1 O=S([O-])CF MCULE-9276464291 [1,0,0,0,0,0|3,0,0]=4 708 B4R0.1 O=S([O-])CO MCULE-5211722344 [1,0,0,0,0,0|3,0,0]=4 709 B4R0.1 OCC(Cl)Cl MCULE-3279441180 [1,0,0,0,0,0|3,0,0]=4 710 B4R0.1 OCC(F)Br MCULE-5466660542 [1,0,0,0,0,0|3,0,0]=4 711 B4R0.1 OCC(F)F MCULE-3252378943 [1,0,0,0,0,0|3,0,0]=4 712 B4R0.1 P(=O)(O)CN MCULE-5441171864 [1,0,0,0,0,0|3,0,0]=4 713 B4R0.1 [C@@H](C)(O)C#C MCULE-8971134855 [1,0,0,0,0,0|0,0,3]=4 714 B4R0.1 [C@H](C)(O)CN MCULE-8212000072 [1,0,0,0,0,0|1,0,1]=3 715 B4R0.1 [NH3+]C(C)CC MCULE-3066898055 [1,0,0,0,0,0|1,0,0]=2 716 B4R0.2 BrC=CCBr MCULE-1480697982 [1,0,0,0,0,0|2,0,1]=4 717 B4R0.2 BrCCCBr MCULE-6500110480 [1,0,0,0,0,0|2,0,1]=4 718 B4R0.2 BrCCCI MCULE-6470610840 [1,0,0,0,0,0|2,0,1]=4 719 B4R0.2 C#CCCBr MCULE-1495603480 [1,0,0,0,0,0|2,0,1]=4 720 B4R0.2 C#CCCC MCULE-1233806896 [1,0,0,0,0,0|1,0,1]=3 721 B4R0.2 C#CCCCl MCULE-5602517887 [1,0,0,0,0,0|2,0,1]=4 722 B4R0.2 C#CCCI MCULE-2832310719 [1,0,0,0,0,0|2,0,1]=4 723 B4R0.2 C#CCCN MCULE-1223656854 [1,0,0,0,0,0|2,0,1]=4 724 B4R0.2 C#CCCN MCULE-6408469965 [1,0,0,0,0,0|2,0,1]=4 725 B4R0.2 C#CCCO MCULE-1797559276 [1,0,0,0,0,0|2,0,1]=4 726 B4R0.2 C#CCCO MCULE-8743964065 [1,0,0,0,0,0|2,0,1]=4 727 B4R0.2 C#CCNC MCULE-9758975590 [1,0,0,0,0,0|2,0,1]=4 728 B4R0.2 C#CCOC MCULE-9172422462 [1,0,0,0,0,0|2,0,1]=4 729 B4R0.2 C#CCSC MCULE-6808040899 [1,0,0,0,0,0|2,0,1]=4 730 B4R0.2 C#COCC MCULE-1522528824 [1,0,0,0,0,0|2,0,1]=4 731 B4R0.2 C/C=C/C=O MCULE-9924705308 [1,0,0,0,0,0|0,0,2]=3 732 B4R0.2 C/C=C/CCl MCULE-9977493525 [1,0,0,0,0,0|2,0,1]=4 733 B4R0.2 C/C=C/CO MCULE-2383161163 [1,0,0,0,0,0|2,0,1]=4 734 B4R0.2 C/C=C/OC MCULE-3906920304 [1,0,0,0,0,0|2,0,1]=4 735 B4R0.2 C/C=C\CO MCULE-5924662327 [1,0,0,0,0,0|2,0,1]=4 736 B4R0.2 C=C=CCC MCULE-6123315571 [1,0,0,0,0,0|1,0,2]=4 737 B4R0.2 C=CC=CC MCULE-4452516287 [1,0,0,0,0,0|1,0,2]=4 738 B4R0.2 C=CCC#N MCULE-2566589348 [1,0,0,0,0,0|2,0,1]=4 739 B4R0.2 C=CCCBr MCULE-2890129103 [1,0,0,0,0,0|2,0,0]=3 740 B4R0.2 C=CCCC MCULE-8386546337 [1,0,0,0,0,0|1,0,0]=2 741 B4R0.2 C=CCCCl MCULE-5903789900 [1,0,0,0,0,0|2,0,0]=3 742 B4R0.2 C=CCCI MCULE-1055671394 [1,0,0,0,0,0|2,0,0]=3 743 B4R0.2 C=CCCN MCULE-2471716627 [1,0,0,0,0,0|2,0,0]=3 744 B4R0.2 C=CCCN MCULE-2881108697 [1,0,0,0,0,0|2,0,0]=3 745 B4R0.2 C=CCCO MCULE-4582400839 [1,0,0,0,0,0|2,0,0]=3 746 B4R0.2 C=CCNC MCULE-3335720336 [1,0,0,0,0,0|2,0,0]=3 747 B4R0.2 C=CCNN MCULE-2550690274 [1,0,0,0,0,0|3,0,0]=4 748 B4R0.2 C=CCNN MCULE-3554567414 [1,0,0,0,0,0|3,0,0]=4 749 B4R0.2 C=CCNN MCULE-8741523989 [1,0,0,0,0,0|3,0,0]=4 750 B4R0.2 C=CCOC MCULE-3321225771 [1,0,0,0,0,0|2,0,0]=3 751 B4R0.2 C=CCON MCULE-2094787759 [1,0,0,0,0,0|3,0,0]=4 752 B4R0.2 C=CCON MCULE-6222602533 [1,0,0,0,0,0|3,0,0]=4 753 B4R0.2 C=CCSC MCULE-4452023915 [1,0,0,0,0,0|2,0,0]=3 754 B4R0.2 C=CNC=O MCULE-8403928899 [1,0,0,0,0,0|1,0,2]=4 755 B4R0.2 C=COCC MCULE-2569047033 [1,0,0,0,0,0|2,0,0]=3 756 B4R0.2 C=CSCC MCULE-8927374165 [1,0,0,0,0,0|2,0,0]=3 757 B4R0.2 CC#CC=O MCULE-9270622693 [1,0,0,0,0,0|0,0,2]=3 758 B4R0.2 CC#CCC MCULE-8848779220 [1,0,0,0,0,0|1,0,2]=4 759 B4R0.2 CC=CC=O MCULE-2497362981 [1,0,0,0,0,0|0,0,2]=3 760 B4R0.2 CC=CCBr MCULE-7855581866 [1,0,0,0,0,0|2,0,1]=4 761 B4R0.2 CC=CCC MCULE-5931905453 [1,0,0,0,0,0|1,0,1]=3 762 B4R0.2 CC=CCCl MCULE-3941962217 [1,0,0,0,0,0|2,0,1]=4 763 B4R0.2 CC=CCO MCULE-7490725844 [1,0,0,0,0,0|2,0,1]=4 764 B4R0.2 CC=COC MCULE-6712403535 [1,0,0,0,0,0|2,0,1]=4 765 B4R0.2 CC=CSC MCULE-5921906156 [1,0,0,0,0,0|2,0,1]=4 766 B4R0.2 CCC#CI MCULE-6466997582 [1,0,0,0,0,0|1,0,2]=4 767 B4R0.2 CCC=CBr MCULE-4471551501 [1,0,0,0,0,0|1,0,1]=3 768 B4R0.2 CCC=NO MCULE-9457280654 [1,0,0,0,0,0|1,0,2]=4 769 B4R0.2 CCCC#N MCULE-8571076087 [1,0,0,0,0,0|1,0,1]=3 770 B4R0.2 CCCC=O MCULE-8530391347 [1,0,0,0,0,0|0,0,0]=1 771 B4R0.2 CCCCBr MCULE-3390217131 [1,0,0,0,0,0|1,0,1]=3 772 B4R0.2 CCCCC MCULE-4643148765 [1,0,0,0,0,0|1,0,1]=3 773 B4R0.2 CCCCCl MCULE-5329900290 [1,0,0,0,0,0|1,0,1]=3 774 B4R0.2 CCCCF MCULE-7225760858 [1,0,0,0,0,0|1,0,1]=3 775 B4R0.2 CCCCI MCULE-1160974720 [1,0,0,0,0,0|1,0,1]=3 776 B4R0.2 CCCCN MCULE-1731874934 [1,0,0,0,0,0|1,0,1]=3 777 B4R0.2 CCCCN MCULE-4233278050 [1,0,0,0,0,0|1,0,1]=3 778 B4R0.2 CCCCN MCULE-5242069370 [1,0,0,0,0,0|1,0,1]=3 779 B4R0.2 CCCCN MCULE-7343835253 [1,0,0,0,0,0|1,0,1]=3 780 B4R0.2 CCCCO MCULE-1571156443 [1,0,0,0,0,0|0,0,2]=3 781 B4R0.2 CCCCS MCULE-9441213933 [1,0,0,0,0,0|0,1,1]=3 782 B4R0.2 CCCNC MCULE-2266616259 [1,0,0,0,0,0|2,0,0]=3 783 B4R0.2 CCCNC MCULE-7722796872 [1,0,0,0,0,0|2,0,0]=3 784 B4R0.2 CCCNN MCULE-4121438775 [1,0,0,0,0,0|2,0,0]=3 785 B4R0.2 CCCNN MCULE-5875592228 [1,0,0,0,0,0|2,0,0]=3 786 B4R0.2 CCCNN MCULE-9585694661 [1,0,0,0,0,0|2,0,0]=3 787 B4R0.2 CCCOC MCULE-5854067718 [1,0,0,0,0,0|2,0,0]=3 788 B4R0.2 CCCON MCULE-4800172637 [1,0,0,0,0,0|2,0,0]=3 789 B4R0.2 CCCON MCULE-7988781002 [1,0,0,0,0,0|2,0,0]=3 790 B4R0.2 CCCSC MCULE-8387041737 [1,0,0,0,0,0|2,0,0]=3 791 B4R0.2 CCN=C=O MCULE-6522145601 [1,0,0,0,0,0|1,0,1]=3 792 B4R0.2 CCN=C=S MCULE-9838756606 [1,0,0,0,0,0|1,1,1]=4 793 B4R0.2 CCNC=O MCULE-9309926274 [1,0,0,0,0,0|1,0,0]=2 794 B4R0.2 CCNCC MCULE-3395060353 [1,0,0,0,0,0|2,0,1]=4 795 B4R0.2 CCNCC MCULE-4374609736 [1,0,0,0,0,0|2,0,1]=4 796 B4R0.2 CCNCC MCULE-4555901025 [1,0,0,0,0,0|2,0,1]=4 797 B4R0.2 CCNCC MCULE-6895602113 [1,0,0,0,0,0|2,0,1]=4 798 B4R0.2 CCNOC MCULE-4797714235 [1,0,0,0,0,0|3,0,0]=4 799 B4R0.2 CCNOC MCULE-6486167423 [1,0,0,0,0,0|3,0,0]=4 800 B4R0.2 CCOC=N MCULE-5321655909 [1,0,0,0,0,0|2,0,0]=3 801 B4R0.2 CCOC=N MCULE-8158357614 [1,0,0,0,0,0|2,0,0]=3 802 B4R0.2 CCOC=O MCULE-6245072161 [1,0,0,0,0,0|1,0,0]=2 803 B4R0.2 CCOCBr MCULE-6644755987 [1,0,0,0,0,0|2,0,1]=4 804 B4R0.2 CCOCC MCULE-5665709021 [1,0,0,0,0,0|2,0,1]=4 805 B4R0.2 CCOCCl MCULE-5087992840 [1,0,0,0,0,0|2,0,1]=4 806 B4R0.2 CCONC MCULE-5446312516 [1,0,0,0,0,0|3,0,0]=4 807 B4R0.2 CCONC MCULE-7976027802 [1,0,0,0,0,0|3,0,0]=4 808 B4R0.2 CCSC#N MCULE-1270730084 [1,0,0,0,0,0|2,0,1]=4 809 B4R0.2 CCSCC MCULE-6480710239 [1,0,0,0,0,0|2,0,1]=4 810 B4R0.2 CCSCCl MCULE-3890542152 [1,0,0,0,0,0|2,0,1]=4 811 B4R0.2 CCSSC MCULE-9430585714 [1,0,0,0,0,0|3,0,0]=4 812 B4R0.2 CC[NH2+]CC MCULE-9899430356 [1,0,0,0,0,0|2,0,1]=4 813 B4R0.2 CNCC#N MCULE-1233170363 [1,0,0,0,0,0|2,0,1]=4 814 B4R0.2 CNCC#N MCULE-4334159739 [1,0,0,0,0,0|2,0,1]=4 815 B4R0.2 CNCC#N MCULE-8267124503 [1,0,0,0,0,0|2,0,1]=4 816 B4R0.2 CNCCBr MCULE-3708780806 [1,0,0,0,0,0|2,0,1]=4 817 B4R0.2 CNCCBr MCULE-6840755559 [1,0,0,0,0,0|2,0,1]=4 818 B4R0.2 CNCCCl MCULE-1666345560 [1,0,0,0,0,0|2,0,1]=4 819 B4R0.2 CNCCCl MCULE-8215813413 [1,0,0,0,0,0|2,0,1]=4 820 B4R0.2 CNCCF MCULE-3719880423 [1,0,0,0,0,0|2,0,1]=4 821 B4R0.2 CNCCF MCULE-3751701745 [1,0,0,0,0,0|2,0,1]=4 822 B4R0.2 CNCCI MCULE-7026781832 [1,0,0,0,0,0|2,0,1]=4 823 B4R0.2 CNCCI MCULE-8892686580 [1,0,0,0,0,0|2,0,1]=4 824 B4R0.2 CNCCN MCULE-2881688448 [1,0,0,0,0,0|2,0,1]=4 825 B4R0.2 CNCCN MCULE-7199403269 [1,0,0,0,0,0|2,0,1]=4 826 B4R0.2 CNCCO MCULE-7051900771 [1,0,0,0,0,0|1,0,2]=4 827 B4R0.2 CNCCO MCULE-7934732981 [1,0,0,0,0,0|1,0,2]=4 828 B4R0.2 CNCCS MCULE-6430516369 [1,0,0,0,0,0|1,1,1]=4 829 B4R0.2 COCC#N MCULE-9178522865 [1,0,0,0,0,0|2,0,1]=4 830 B4R0.2 COCC=O MCULE-9427361019 [1,0,0,0,0,0|1,0,0]=2 831 B4R0.2 COCCBr MCULE-8316331262 [1,0,0,0,0,0|2,0,1]=4 832 B4R0.2 COCCCl MCULE-8886627413 [1,0,0,0,0,0|2,0,1]=4 833 B4R0.2 COCCI MCULE-9391124374 [1,0,0,0,0,0|2,0,1]=4 834 B4R0.2 COCCN MCULE-5051556646 [1,0,0,0,0,0|2,0,1]=4 835 B4R0.2 COCCN MCULE-7519068386 [1,0,0,0,0,0|2,0,1]=4 836 B4R0.2 COCCO MCULE-4751927883 [1,0,0,0,0,0|1,0,2]=4 837 B4R0.2 COCCS MCULE-7803276094 [1,0,0,0,0,0|1,1,1]=4 838 B4R0.2 COCOC MCULE-8559076702 [1,0,0,0,0,0|3,0,0]=4 839 B4R0.2 COCON MCULE-6032854331 [1,0,0,0,0,0|3,0,0]=4 840 B4R0.2 CSCC#N MCULE-3607261611 [1,0,0,0,0,0|2,0,1]=4 841 B4R0.2 CSCCBr MCULE-1684461541 [1,0,0,0,0,0|2,0,1]=4 842 B4R0.2 CSCCCl MCULE-8593103756 [1,0,0,0,0,0|2,0,1]=4 843 B4R0.2 CSCCN MCULE-5168245255 [1,0,0,0,0,0|2,0,1]=4 844 B4R0.2 CSCCN MCULE-6275285732 [1,0,0,0,0,0|2,0,1]=4 845 B4R0.2 CSCCO MCULE-9706874325 [1,0,0,0,0,0|1,0,2]=4 846 B4R0.2 CSCSC MCULE-5603964020 [1,0,0,0,0,0|3,0,0]=4 847 B4R0.2 Cl/C=C/CCl MCULE-4516188972 [1,0,0,0,0,0|2,0,1]=4 848 B4R0.2 ClC/C=C/Br MCULE-1061414929 [1,0,0,0,0,0|2,0,1]=4 849 B4R0.2 ClC=CCCl MCULE-4655672652 [1,0,0,0,0,0|2,0,1]=4 850 B4R0.2 ClCCCBr MCULE-7937580875 [1,0,0,0,0,0|2,0,1]=4 851 B4R0.2 ClCCCCl MCULE-6693270397 [1,0,0,0,0,0|2,0,1]=4 852 B4R0.2 ClCCCI MCULE-1521526833 [1,0,0,0,0,0|2,0,1]=4 853 B4R0.2 FCCCBr MCULE-5674735753 [1,0,0,0,0,0|2,0,1]=4 854 B4R0.2 FCCCF MCULE-1803511350 [1,0,0,0,0,0|2,0,1]=4 855 B4R0.2 FCCCI MCULE-9287814857 [1,0,0,0,0,0|2,0,1]=4 856 B4R0.2 ICCCI MCULE-9849754168 [1,0,0,0,0,0|2,0,1]=4 857 B4R0.2 N#CCCBr MCULE-1744180602 [1,0,0,0,0,0|2,0,1]=4 858 B4R0.2 N#CCCCl MCULE-3511379481 [1,0,0,0,0,0|2,0,1]=4 859 B4R0.2 N#CCCI MCULE-1591942951 [1,0,0,0,0,0|2,0,1]=4 860 B4R0.2 N#CCCN MCULE-8482296338 [1,0,0,0,0,0|2,0,1]=4 861 B4R0.2 N#CCCN MCULE-9518086954 [1,0,0,0,0,0|2,0,1]=4 862 B4R0.2 N#CCCO MCULE-5098987368 [1,0,0,0,0,0|2,0,1]=4 863 B4R0.2 N#CCCS MCULE-7199964466 [1,0,0,0,0,0|2,0,1]=4 864 B4R0.2 N/C=C/C=O MCULE-2444951625 [1,0,0,0,0,0|1,0,2]=4 865 B4R0.2 NC=CC=O MCULE-4070918342 [1,0,0,0,0,0|1,0,2]=4 866 B4R0.2 NCCCBr MCULE-5485748003 [1,0,0,0,0,0|2,0,1]=4 867 B4R0.2 NCCCBr MCULE-7072709972 [1,0,0,0,0,0|2,0,1]=4 868 B4R0.2 NCCCCl MCULE-1324157004 [1,0,0,0,0,0|2,0,1]=4 869 B4R0.2 NCCCCl MCULE-3667248190 [1,0,0,0,0,0|2,0,1]=4 870 B4R0.2 NCCCF MCULE-5215746973 [1,0,0,0,0,0|2,0,1]=4 871 B4R0.2 NCCCF MCULE-8077133369 [1,0,0,0,0,0|2,0,1]=4 872 B4R0.2 NCCCI MCULE-3534892097 [1,0,0,0,0,0|2,0,1]=4 873 B4R0.2 NCCCI MCULE-8010453546 [1,0,0,0,0,0|2,0,1]=4 874 B4R0.2 NCCCN MCULE-4293255820 [1,0,0,0,0,0|2,0,1]=4 875 B4R0.2 NCCCN MCULE-5041378433 [1,0,0,0,0,0|2,0,1]=4 876 B4R0.2 NCCCN MCULE-6944452060 [1,0,0,0,0,0|2,0,1]=4 877 B4R0.2 NCCCN MCULE-7375662153 [1,0,0,0,0,0|2,0,1]=4 878 B4R0.2 NCCCN MCULE-8277465929 [1,0,0,0,0,0|2,0,1]=4 879 B4R0.2 NCCCN MCULE-9929373126 [1,0,0,0,0,0|2,0,1]=4 880 B4R0.2 NCCCO MCULE-2851278356 [1,0,0,0,0,0|1,0,2]=4 881 B4R0.2 NCCCO MCULE-9698089092 [1,0,0,0,0,0|1,0,2]=4 882 B4R0.2 NCCCS MCULE-3994478020 [1,0,0,0,0,0|1,1,1]=4 883 B4R0.2 NCCCS MCULE-7730973866 [1,0,0,0,0,0|1,1,1]=4 884 B4R0.2 NCCON MCULE-3613980902 [1,0,0,0,0,0|3,0,0]=4 885 B4R0.2 NCCON MCULE-7030217952 [1,0,0,0,0,0|3,0,0]=4 886 B4R0.2 NCCON MCULE-8959912781 [1,0,0,0,0,0|3,0,0]=4 887 B4R0.2 NNCCF MCULE-2712460031 [1,0,0,0,0,0|3,0,0]=4 888 B4R0.2 NNCCF MCULE-8505927457 [1,0,0,0,0,0|3,0,0]=4 889 B4R0.2 NNCCO MCULE-1290652744 [1,0,0,0,0,0|3,0,0]=4 890 B4R0.2 NOCCBr MCULE-2796346082 [1,0,0,0,0,0|3,0,0]=4 891 B4R0.2 NOCCBr MCULE-5636354898 [1,0,0,0,0,0|3,0,0]=4 892 B4R0.2 NOCCCl MCULE-5981688956 [1,0,0,0,0,0|3,0,0]=4 893 B4R0.2 NOCCF MCULE-1813481600 [1,0,0,0,0,0|3,0,0]=4 894 B4R0.2 NOCCF MCULE-2993254805 [1,0,0,0,0,0|3,0,0]=4 895 B4R0.2 NOCCO MCULE-2545004367 [1,0,0,0,0,0|3,0,0]=4 896 B4R0.2 O=C=NCCl MCULE-7751104052 [1,0,0,0,0,0|2,0,1]=4 897 B4R0.2 O=CCCBr MCULE-4107157458 [1,0,0,0,0,0|1,0,0]=2 898 B4R0.2 O=CCCCl MCULE-5863929313 [1,0,0,0,0,0|1,0,0]=2 899 B4R0.2 O=CCCI MCULE-9771140462 [1,0,0,0,0,0|1,0,0]=2 900 B4R0.2 O=CCCO MCULE-1685289763 [1,0,0,0,0,0|1,0,0]=2 901 B4R0.2 O=CNC=O MCULE-3098379420 [1,0,0,0,0,0|2,0,1]=4 902 B4R0.2 O=COC=O MCULE-6311384332 [1,0,0,0,0,0|2,0,1]=4 903 B4R0.2 O=C[N-]C=O MCULE-4923470284 [1,0,0,0,0,0|2,0,1]=4 904 B4R0.2 OC=CCCl MCULE-4750991393 [1,0,0,0,0,0|1,0,2]=4 905 B4R0.2 OCC=CBr MCULE-4636104289 [1,0,0,0,0,0|2,0,1]=4 906 B4R0.2 OCC=CCl MCULE-2110127594 [1,0,0,0,0,0|2,0,1]=4 907 B4R0.2 OCCCBr MCULE-3450011527 [1,0,0,0,0,0|1,0,2]=4 908 B4R0.2 OCCCCl MCULE-2319230957 [1,0,0,0,0,0|1,0,2]=4 909 B4R0.2 OCCCF MCULE-2347934403 [1,0,0,0,0,0|1,0,2]=4 910 B4R0.2 OCCCI MCULE-5200713967 [1,0,0,0,0,0|1,0,2]=4 911 B4R0.2 OCCCO MCULE-5166824786 [1,0,0,0,0,0|1,0,2]=4 912 B4R0.2 OCCCS MCULE-7930164048 [1,0,0,0,0,0|1,0,2]=4 913 B4R0.2 PCCCP MCULE-6048146071 [1,0,0,0,0,0|2,0,1]=4 914 B4R0.2 SCCCBr MCULE-4627341228 [1,0,0,0,0,0|1,1,1]=4 915 B4R0.2 SCCCCl MCULE-6410389127 [1,0,0,0,0,0|1,1,1]=4 916 B4R0.2 SCCCS MCULE-8220630729 [1,0,0,0,0,0|1,1,1]=4 917 B4R0.2 [NH2+](CC)CC MCULE-1192179232 [1,0,0,0,0,0|2,0,1]=4 918 B6R0.1 C#CC(N)CCC MCULE-1649795667 [0,1,0,0,0,0|2,0,1]=4 919 B6R0.1 C#CC(N)CCC MCULE-4074347601 [0,1,0,0,0,0|2,0,1]=4 920 B6R0.1 C#CC(N)COC MCULE-7083913188 [0,1,0,0,0,0|2,0,1]=4 921 B6R0.1 C#CC(O)CCC MCULE-6152066005 [0,1,0,0,0,0|2,0,1]=4 922 B6R0.1 C#CCC(C)CO MCULE-6139260605 [0,1,0,0,0,0|0,0,3]=4 923 B6R0.1 C#CCC(C)NC MCULE-1501548827 [0,1,0,0,0,0|2,0,1]=4 924 B6R0.1 C#CCC(C)NC MCULE-4715321546 [0,1,0,0,0,0|2,0,1]=4 925 B6R0.1 C#CCC(N)CC MCULE-4259544439 [0,1,0,0,0,0|2,0,1]=4 926 B6R0.1 C#CCC(O)CC MCULE-8783941008 [0,1,0,0,0,0|2,0,1]=4 927 B6R0.1 C#CCN(C)CC MCULE-4046146529 [0,1,0,0,0,0|2,0,1]=4 928 B6R0.1 C#CCN(C)CC MCULE-6846440848 [0,1,0,0,0,0|2,0,1]=4 929 B6R0.1 C(=C/C(=O)CC)\C MCULE-9250312874 [0,1,0,0,0,0|2,0,1]=4 930 B6R0.1 C=C=CC(C)CO MCULE-4111632331 [0,1,0,0,0,0|2,0,0]=3 931 B6R0.1 C=CC(=O)CCC MCULE-9373104880 [0,1,0,0,0,0|2,0,1]=4 932 B6R0.1 C=CC(=O)COC MCULE-1933195578 [0,1,0,0,0,0|2,0,1]=4 933 B6R0.1 C=CC(=O)NCC MCULE-3515057147 [0,1,0,0,0,0|2,0,1]=4 934 B6R0.1 C=CC(=O)OCC MCULE-9281713240 [0,1,0,0,0,0|2,0,1]=4 935 B6R0.1 C=CC(C)CCC MCULE-2692803387 [0,1,0,0,0,0|1,0,0]=2 936 B6R0.1 C=CC(C)CCO MCULE-2890369298 [0,1,0,0,0,0|1,0,0]=2 937 B6R0.1 C=CC(C)N=C=S MCULE-4236633560 [0,1,0,0,0,0|2,0,1]=4 938 B6R0.1 C=CC(N)CCO MCULE-7781906138 [0,1,0,0,0,0|2,0,0]=3 939 B6R0.1 C=CC(N)COC MCULE-3217346081 [0,1,0,0,0,0|2,0,0]=3 940 B6R0.1 C=CC(O)CC#N MCULE-2128554895 [0,1,0,0,0,0|2,0,1]=4 941 B6R0.1 C=CC(O)CCC MCULE-3664453040 [0,1,0,0,0,0|2,0,0]=3 942 B6R0.1 C=CC(O)CCN MCULE-9346205308 [0,1,0,0,0,0|2,0,0]=3 943 B6R0.1 C=CCC(C)C=O MCULE-3981206051 [0,1,0,0,0,0|0,0,1]=2 944 B6R0.1 C=CCC(C)CC MCULE-8680856865 [0,1,0,0,0,0|1,0,0]=2 945 B6R0.1 C=CCC(C)CO MCULE-9174943108 [0,1,0,0,0,0|2,0,0]=3 946 B6R0.1 C=CCC(N)CC MCULE-2309097248 [0,1,0,0,0,0|2,0,0]=3 947 B6R0.1 C=CCC(N)CC MCULE-8356954197 [0,1,0,0,0,0|2,0,0]=3 948 B6R0.1 C=CCC(N)CO MCULE-3854217705 [0,1,0,0,0,0|3,0,0]=4 949 B6R0.1 C=CCC(N)CO MCULE-6104194102 [0,1,0,0,0,0|3,0,0]=4 950 B6R0.1 C=CCC(N)CO MCULE-6473126335 [0,1,0,0,0,0|3,0,0]=4 951 B6R0.1 C=CCC(N)CO MCULE-8430673873 [0,1,0,0,0,0|3,0,0]=4 952 B6R0.1 C=CCC(O)C=C MCULE-3803883413 [0,1,0,0,0,0|2,0,1]=4 953 B6R0.1 C=CCC(O)CC MCULE-1497539816 [0,1,0,0,0,0|2,0,0]=3 954 B6R0.1 C=CCC(O)CN MCULE-8237489732 [0,1,0,0,0,0|3,0,0]=4 955 B6R0.1 C=CC[C@@H](N)CO MCULE-1869015815 [0,1,0,0,0,0|3,0,0]=4 956 B6R0.1 C=CC[C@@H](N)CO MCULE-2792980070 [0,1,0,0,0,0|3,0,0]=4 957 B6R0.1 C=CC[C@@H](N)CO MCULE-3168704187 [0,1,0,0,0,0|3,0,0]=4 958 B6R0.1 C=CC[C@@H](N)CO MCULE-4796522209 [0,1,0,0,0,0|3,0,0]=4 959 B6R0.1 C=CC[C@@H](O)CC MCULE-3259102701 [0,1,0,0,0,0|2,0,0]=3 960 B6R0.1 C=CC[C@H](C)C=O MCULE-6968117309 [0,1,0,0,0,0|0,0,1]=2 961 B6R0.1 C=CC[C@H](N)CO MCULE-2427943513 [0,1,0,0,0,0|3,0,0]=4 962 B6R0.1 C=CC[C@H](N)CO MCULE-4244461120 [0,1,0,0,0,0|3,0,0]=4 963 B6R0.1 C=CC[C@H](N)CO MCULE-6760610212 [0,1,0,0,0,0|3,0,0]=4 964 B6R0.1 C=CC[C@H](N)CO MCULE-7914934929 [0,1,0,0,0,0|3,0,0]=4 965 B6R0.1 C=CC[C@H](O)CC MCULE-6527977219 [0,1,0,0,0,0|2,0,0]=3 966 B6R0.1 C=COC(=O)CC MCULE-7662621547 [0,1,0,0,0,0|2,0,1]=4 967 B6R0.1 C=C[C@@H](O)CC#N MCULE-7370913372 [0,1,0,0,0,0|2,0,1]=4 968 B6R0.1 CC#CC(O)CC MCULE-9870271888 [0,1,0,0,0,0|2,0,1]=4 969 B6R0.1 CC(=CCBr)CBr MCULE-6875050264 [0,1,0,0,0,0|2,0,1]=4 970 B6R0.1 CC(=CCBr)CCl MCULE-3390489656 [0,1,0,0,0,0|2,0,1]=4 971 B6R0.1 CC(=CN=O)NO MCULE-1780424821 [0,1,0,0,0,0|2,0,1]=4 972 B6R0.1 CC(C#N)CNN MCULE-3638644383 [0,1,0,0,0,0|2,0,1]=4 973 B6R0.1 CC(CC#N)NN MCULE-3246854071 [0,1,0,0,0,0|2,0,1]=4 974 B6R0.1 CC(CN)CCN MCULE-2719332037 [0,1,0,0,0,0|1,0,1]=3 975 B6R0.1 CC(CN)CCN MCULE-4200375624 [0,1,0,0,0,0|1,0,1]=3 976 B6R0.1 CC(CN)CCO MCULE-5515163518 [0,1,0,0,0,0|1,0,1]=3 977 B6R0.1 CC(CO)CCN MCULE-9900244005 [0,1,0,0,0,0|0,0,2]=3 978 B6R0.1 CC(CO)CCO MCULE-5240961149 [0,1,0,0,0,0|0,0,2]=3 979 B6R0.1 CC(CO)CCO MCULE-8678967805 [0,1,0,0,0,0|0,0,2]=3 980 B6R0.1 CC/C(=C\C#N)/[O-] MCULE-6169735980 [0,1,0,0,0,0|2,0,1]=4 981 B6R0.1 CC/C(=C\C#N)/[O-] MCULE-7276617737 [0,1,0,0,0,0|2,0,1]=4 982 B6R0.1 CC/C=C(\C)/C=O MCULE-6692882718 [0,1,0,0,0,0|0,0,1]=2 983 B6R0.1 CC=CC(=O)CC MCULE-5948495959 [0,1,0,0,0,0|2,0,1]=4 984 B6R0.1 CC=C[C@@H](N)CO MCULE-4690559736 [0,1,0,0,0,0|3,0,0]=4 985 B6R0.1 CC=C[C@@H](N)CO MCULE-5852475953 [0,1,0,0,0,0|3,0,0]=4 986 B6R0.1 CC=C[C@H](N)CO MCULE-6168992245 [0,1,0,0,0,0|3,0,0]=4 987 B6R0.1 CC=C[C@H](N)CO MCULE-6971252398 [0,1,0,0,0,0|3,0,0]=4 988 B6R0.1 CCC(=CCO)C MCULE-5264054153 [0,1,0,0,0,0|0,0,2]=3 989 B6R0.1 CCC(Br)COC MCULE-7942540965 [0,1,0,0,0,0|1,0,2]=4 990 B6R0.1 CCC(C)C=NO MCULE-2829500970 [0,1,0,0,0,0|0,0,1]=2 991 B6R0.1 CCC(C)CC#N MCULE-8784266918 [0,1,0,0,0,0|1,0,1]=3 992 B6R0.1 CCC(C)CC=O MCULE-9143756592 [0,1,0,0,0,0|0,0,0]=1 993 B6R0.1 CCC(C)CCBr MCULE-6033010731 [0,1,0,0,0,0|1,0,1]=3 994 B6R0.1 CCC(C)CCCl MCULE-2069721626 [0,1,0,0,0,0|1,0,1]=3 995 B6R0.1 CCC(C)CCN MCULE-4140800594 [0,1,0,0,0,0|1,0,1]=3 996 B6R0.1 CCC(C)CCN MCULE-5509248218 [0,1,0,0,0,0|1,0,1]=3 997 B6R0.1 CCC(C)CCO MCULE-6482427735 [0,1,0,0,0,0|0,0,2]=3 998 B6R0.1 CCC(C)CNC MCULE-1998406301 [0,1,0,0,0,0|1,0,1]=3 999 B6R0.1 CCC(C)CNC MCULE-5957910094 [0,1,0,0,0,0|1,0,1]=3 1000 B6R0.1 CCC(C)CON MCULE-7033012303 [0,1,0,0,0,0|0,0,2]=3 1001 B6R0.1 CCC(C)N=C=O MCULE-4771945289 [0,1,0,0,0,0|0,0,1]=2 1002 B6R0.1 CCC(C)N=C=S MCULE-7411656228 [0,1,0,0,0,0|0,1,1]=3 1003 B6R0.1 CCC(C)NC=O MCULE-2197007756 [0,1,0,0,0,0|0,0,0]=1 1004 B6R0.1 CCC(C)OC=O MCULE-9361787208 [0,1,0,0,0,0|0,0,0]=1 1005 B6R0.1 CCC(C)SC#N MCULE-5870963705 [0,1,0,0,0,0|1,0,1]=3 1006 B6R0.1 CCC(N)CC#N MCULE-9550652690 [0,1,0,0,0,0|2,0,1]=4 1007 B6R0.1 CCC(N)CCN MCULE-8956610037 [0,1,0,0,0,0|2,0,1]=4 1008 B6R0.1 CCC(N)CCO MCULE-1511155206 [0,1,0,0,0,0|1,0,2]=4 1009 B6R0.1 CCC(N)CCO MCULE-5525302643 [0,1,0,0,0,0|1,0,2]=4 1010 B6R0.1 CCC(N)COC MCULE-2103613859 [0,1,0,0,0,0|1,0,2]=4 1011 B6R0.1 CCC(N)COC MCULE-5835446359 [0,1,0,0,0,0|1,0,2]=4 1012 B6R0.1 CCC(N)CSC MCULE-9145513729 [0,1,0,0,0,0|1,1,1]=4 1013 B6R0.1 CCC(O)CC#N MCULE-2542710031 [0,1,0,0,0,0|2,0,1]=4 1014 B6R0.1 CCC(O)CCN MCULE-5387303971 [0,1,0,0,0,0|2,0,1]=4 1015 B6R0.1 CCC(O)CCO MCULE-5156075792 [0,1,0,0,0,0|1,0,2]=4 1016 B6R0.1 CCC(O)CNC MCULE-2490431367 [0,1,0,0,0,0|2,0,1]=4 1017 B6R0.1 CCC(O)CNN MCULE-1038166714 [0,1,0,0,0,0|2,0,1]=4 1018 B6R0.1 CCC(O)CNN MCULE-6391104058 [0,1,0,0,0,0|2,0,1]=4 1019 B6R0.1 CCC(O)COC MCULE-6751000060 [0,1,0,0,0,0|1,0,2]=4 1020 B6R0.1 CCC(O)CSC MCULE-3582683720 [0,1,0,0,0,0|1,1,1]=4 1021 B6R0.1 CCC(S)CCO MCULE-4193788852 [0,1,0,0,0,0|1,0,2]=4 1022 B6R0.1 CCC=C(C)C=O MCULE-1636090264 [0,1,0,0,0,0|0,0,1]=2 1023 B6R0.1 CCCC(=NO)C MCULE-6437787263 [0,1,0,0,0,0|1,0,2]=4 1024 B6R0.1 CCCC(Br)CC MCULE-9116433502 [0,1,0,0,0,0|2,0,1]=4 1025 B6R0.1 CCCC(C)C#N MCULE-2492294131 [0,1,0,0,0,0|1,0,1]=3 1026 B6R0.1 CCCC(C)C=O MCULE-9756444218 [0,1,0,0,0,0|0,0,0]=1 1027 B6R0.1 CCCC(C)CBr MCULE-3437352091 [0,1,0,0,0,0|1,0,1]=3 1028 B6R0.1 CCCC(C)CC MCULE-7082933967 [0,1,0,0,0,0|1,0,1]=3 1029 B6R0.1 CCCC(C)CCl MCULE-2381010454 [0,1,0,0,0,0|1,0,1]=3 1030 B6R0.1 CCCC(C)CN MCULE-9552289739 [0,1,0,0,0,0|1,0,1]=3 1031 B6R0.1 CCCC(C)CO MCULE-9777250826 [0,1,0,0,0,0|0,0,2]=3 1032 B6R0.1 CCCC(C)NC MCULE-1560121168 [0,1,0,0,0,0|2,0,0]=3 1033 B6R0.1 CCCC(C)NC MCULE-2169396338 [0,1,0,0,0,0|2,0,0]=3 1034 B6R0.1 CCCC(Cl)CC MCULE-1581617529 [0,1,0,0,0,0|2,0,1]=4 1035 B6R0.1 CCCC(Cl)CCl MCULE-9464139069 [0,1,0,0,0,0|2,0,1]=4 1036 B6R0.1 CCCC(N)C#N MCULE-6830545935 [0,1,0,0,0,0|2,0,1]=4 1037 B6R0.1 CCCC(N)C#N MCULE-9818121096 [0,1,0,0,0,0|2,0,1]=4 1038 B6R0.1 CCCC(N)CC MCULE-5349906741 [0,1,0,0,0,0|2,0,1]=4 1039 B6R0.1 CCCC(N)CC MCULE-7172418373 [0,1,0,0,0,0|2,0,1]=4 1040 B6R0.1 CCCC(N)CN MCULE-8606218569 [0,1,0,0,0,0|2,0,1]=4 1041 B6R0.1 CCCC(N)CO MCULE-3404967504 [0,1,0,0,0,0|1,0,2]=4 1042 B6R0.1 CCCC(N)CO MCULE-3802448518 [0,1,0,0,0,0|1,0,2]=4 1043 B6R0.1 CCCC(N)CO MCULE-4259078445 [0,1,0,0,0,0|1,0,2]=4 1044 B6R0.1 CCCC(N)CO MCULE-6425025734 [0,1,0,0,0,0|1,0,2]=4 1045 B6R0.1 CCCC(O)C#N MCULE-7017059503 [0,1,0,0,0,0|2,0,1]=4 1046 B6R0.1 CCCC(O)CBr MCULE-5186252424 [0,1,0,0,0,0|2,0,1]=4 1047 B6R0.1 CCCC(O)CC MCULE-9504041935 [0,1,0,0,0,0|2,0,1]=4 1048 B6R0.1 CCCC(O)CCl MCULE-4737360217 [0,1,0,0,0,0|2,0,1]=4 1049 B6R0.1 CCCC(O)CN MCULE-9402934997 [0,1,0,0,0,0|2,0,1]=4 1050 B6R0.1 CCCC(O)CO MCULE-5124107719 [0,1,0,0,0,0|1,0,2]=4 1051 B6R0.1 CCCC(S)CC MCULE-1322481338 [0,1,0,0,0,0|2,0,1]=4 1052 B6R0.1 CCC[C@@H](N)CF MCULE-4702552251 [0,1,0,0,0,0|2,0,1]=4 1053 B6R0.1 CCC[C@@H](N)CF MCULE-8118043624 [0,1,0,0,0,0|2,0,1]=4 1054 B6R0.1 CCC[C@@H](N)CO MCULE-3684308356 [0,1,0,0,0,0|1,0,2]=4 1055 B6R0.1 CCC[C@@H](N)CO MCULE-4573401915 [0,1,0,0,0,0|1,0,2]=4 1056 B6R0.1 CCC[C@@H](N)CO MCULE-5502830670 [0,1,0,0,0,0|1,0,2]=4 1057 B6R0.1 CCC[C@@H](O)CC MCULE-7377135785 [0,1,0,0,0,0|2,0,1]=4 1058 B6R0.1 CCC[C@H](N)CF MCULE-7192744944 [0,1,0,0,0,0|2,0,1]=4 1059 B6R0.1 CCC[C@H](N)CF MCULE-7441387613 [0,1,0,0,0,0|2,0,1]=4 1060 B6R0.1 CCC[C@H](N)CO MCULE-4293730307 [0,1,0,0,0,0|1,0,2]=4 1061 B6R0.1 CCC[C@H](N)CO MCULE-5185063577 [0,1,0,0,0,0|1,0,2]=4 1062 B6R0.1 CCC[C@H](N)CO MCULE-5836622975 [0,1,0,0,0,0|1,0,2]=4 1063 B6R0.1 CCC[C@H](N)CO MCULE-7340014196 [0,1,0,0,0,0|1,0,2]=4 1064 B6R0.1 CCC[C@H](O)CC MCULE-2229025348 [0,1,0,0,0,0|2,0,1]=4 1065 B6R0.1 CCN(C)CCCl MCULE-4264927085 [0,1,0,0,0,0|2,0,1]=4 1066 B6R0.1 CCN(C)CCCl MCULE-8125659652 [0,1,0,0,0,0|2,0,1]=4 1067 B6R0.1 CCN(C)CCN MCULE-9503910262 [0,1,0,0,0,0|2,0,1]=4 1068 B6R0.1 CCN(C)CCO MCULE-5519271145 [0,1,0,0,0,0|1,0,2]=4 1069 B6R0.1 CCN(C)CCS MCULE-9974758531 [0,1,0,0,0,0|1,1,1]=4 1070 B6R0.1 CCNC(C)C#N MCULE-2197533334 [0,1,0,0,0,0|1,0,1]=3 1071 B6R0.1 CCNC(C)C#N MCULE-2463800188 [0,1,0,0,0,0|1,0,1]=3 1072 B6R0.1 CCNC(C)CC MCULE-1017617081 [0,1,0,0,0,0|1,0,1]=3 1073 B6R0.1 CCNC(C)CC MCULE-2691229640 [0,1,0,0,0,0|1,0,1]=3 1074 B6R0.1 CCNC(C)CO MCULE-4344397973 [0,1,0,0,0,0|0,0,2]=3 1075 B6R0.1 CCN[C@@H](C)CO MCULE-5648721449 [0,1,0,0,0,0|0,0,2]=3 1076 B6R0.1 CCN[C@H](C)CO MCULE-8047465405 [0,1,0,0,0,0|0,0,2]=3 1077 B6R0.1 CCO/C(=N/O)/C MCULE-2336241507 [0,1,0,0,0,0|1,0,2]=4 1078 B6R0.1 CCO/C(=N\O)/C MCULE-7101376522 [0,1,0,0,0,0|1,0,2]=4 1079 B6R0.1 CCOC(=NO)C MCULE-6964305821 [0,1,0,0,0,0|1,0,2]=4 1080 B6R0.1 CCOC(=O)C=O MCULE-3433596669 [0,1,0,0,0,0|1,0,1]=3 1081 B6R0.1 CCOC(C)CC MCULE-5049998907 [0,1,0,0,0,0|1,0,1]=3 1082 B6R0.1 CCOC(C)CN MCULE-2322112215 [0,1,0,0,0,0|1,0,1]=3 1083 B6R0.1 CCOC(C)CN MCULE-7307949125 [0,1,0,0,0,0|1,0,1]=3 1084 B6R0.1 CCOC(C)CO MCULE-1592146913 [0,1,0,0,0,0|0,0,2]=3 1085 B6R0.1 CCOC(Cl)CCl MCULE-2309448343 [0,1,0,0,0,0|2,0,1]=4 1086 B6R0.1 CCSC(C)C#N MCULE-1159924867 [0,1,0,0,0,0|1,0,1]=3 1087 B6R0.1 CC[C@@H](N)CC#N MCULE-3694594576 [0,1,0,0,0,0|2,0,1]=4 1088 B6R0.1 CC[C@@H](N)CC#N MCULE-9083117229 [0,1,0,0,0,0|2,0,1]=4 1089 B6R0.1 CC[C@@H](N)COC MCULE-2231338404 [0,1,0,0,0,0|1,0,2]=4 1090 B6R0.1 CC[C@@H](N)COC MCULE-2931188781 [0,1,0,0,0,0|1,0,2]=4 1091 B6R0.1 CC[C@@H](N)COC MCULE-5773677141 [0,1,0,0,0,0|1,0,2]=4 1092 B6R0.1 CC[C@@H](N)COC MCULE-5939905142 [0,1,0,0,0,0|1,0,2]=4 1093 B6R0.1 CC[C@@H](O)CC#N MCULE-5921416613 [0,1,0,0,0,0|2,0,1]=4 1094 B6R0.1 CC[C@@H](O)CC#N MCULE-8527710778 [0,1,0,0,0,0|2,0,1]=4 1095 B6R0.1 CC[C@H](C)CCO MCULE-1190203828 [0,1,0,0,0,0|0,0,2]=3 1096 B6R0.1 CC[C@H](C)CCO MCULE-8460710173 [0,1,0,0,0,0|0,0,2]=3 1097 B6R0.1 CC[C@H](N)CC#N MCULE-9692545503 [0,1,0,0,0,0|2,0,1]=4 1098 B6R0.1 CC[C@H](N)COC MCULE-1115072226 [0,1,0,0,0,0|1,0,2]=4 1099 B6R0.1 CC[C@H](N)COC MCULE-3917835289 [0,1,0,0,0,0|1,0,2]=4 1100 B6R0.1 CC[C@H](N)COC MCULE-8706423122 [0,1,0,0,0,0|1,0,2]=4 1101 B6R0.1 CC[C@H](N)COC MCULE-9406311547 [0,1,0,0,0,0|1,0,2]=4 1102 B6R0.1 CN(C=O)CCO MCULE-3588371476 [0,1,0,0,0,0|1,0,0]=2 1103 B6R0.1 CN(CCO)N=O MCULE-3975606321 [0,1,0,0,0,0|2,0,0]=3 1104 B6R0.1 CNC(C)CC#N MCULE-3748387165 [0,1,0,0,0,0|2,0,1]=4 1105 B6R0.1 CNC(C)CCO MCULE-4722422254 [0,1,0,0,0,0|2,0,0]=3 1106 B6R0.1 CNC(C)COC MCULE-6864731576 [0,1,0,0,0,0|2,0,0]=3 1107 B6R0.1 CNC(C)COC MCULE-9135013355 [0,1,0,0,0,0|2,0,0]=3 1108 B6R0.1 CNC(C)CSC MCULE-8293407208 [0,1,0,0,0,0|2,0,0]=3 1109 B6R0.1 CNCC(C)C#N MCULE-1673067512 [0,1,0,0,0,0|1,0,1]=3 1110 B6R0.1 CNCC(C)CN MCULE-1889673811 [0,1,0,0,0,0|1,0,1]=3 1111 B6R0.1 CNCC(C)CO MCULE-6329429747 [0,1,0,0,0,0|0,0,2]=3 1112 B6R0.1 CNCC(C)OC MCULE-6977139114 [0,1,0,0,0,0|2,0,0]=3 1113 B6R0.1 CNCC(C)OC MCULE-8216810034 [0,1,0,0,0,0|2,0,0]=3 1114 B6R0.1 CNCC(O)CF MCULE-3368370486 [0,1,0,0,0,0|2,0,1]=4 1115 B6R0.1 CNCC(O)CN MCULE-1077260629 [0,1,0,0,0,0|2,0,1]=4 1116 B6R0.1 CNCC(O)CO MCULE-4566952448 [0,1,0,0,0,0|1,0,2]=4 1117 B6R0.1 CNC[C@H](O)CO MCULE-3410453252 [0,1,0,0,0,0|1,0,2]=4 1118 B6R0.1 CNN(C)CCN MCULE-3863653213 [0,1,0,0,0,0|3,0,0]=4 1119 B6R0.1 COC(=O)CC=O MCULE-6624474559 [0,1,0,0,0,0|2,0,1]=4 1120 B6R0.1 COC(=O)NC=O MCULE-9852632340 [0,1,0,0,0,0|2,0,1]=4 1121 B6R0.1 COC(C)CC=O MCULE-7243333697 [0,1,0,0,0,0|1,0,0]=2 1122 B6R0.1 COC(C)CCN MCULE-8081876282 [0,1,0,0,0,0|2,0,0]=3 1123 B6R0.1 COC(C)CCN MCULE-8892057529 [0,1,0,0,0,0|2,0,0]=3 1124 B6R0.1 COC(C)CCO MCULE-7396381165 [0,1,0,0,0,0|2,0,0]=3 1125 B6R0.1 COCC(C)C#N MCULE-2978497753 [0,1,0,0,0,0|1,0,1]=3 1126 B6R0.1 COCC(C)C=O MCULE-7679332713 [0,1,0,0,0,0|0,0,0]=1 1127 B6R0.1 COCC(C)CN MCULE-3223901774 [0,1,0,0,0,0|1,0,1]=3 1128 B6R0.1 COCC(C)CO MCULE-7663064542 [0,1,0,0,0,0|0,0,2]=3 1129 B6R0.1 COCC(C)OC MCULE-1583498700 [0,1,0,0,0,0|2,0,0]=3 1130 B6R0.1 COCC(Cl)C#N MCULE-3128136686 [0,1,0,0,0,0|2,0,1]=4 1131 B6R0.1 COCC(F)CN MCULE-2821685967 [0,1,0,0,0,0|2,0,1]=4 1132 B6R0.1 COCC(F)CN MCULE-9691951401 [0,1,0,0,0,0|2,0,1]=4 1133 B6R0.1 COCC(N)C#N MCULE-4816557518 [0,1,0,0,0,0|2,0,1]=4 1134 B6R0.1 COCC(N)CN MCULE-1244199319 [0,1,0,0,0,0|2,0,1]=4 1135 B6R0.1 COCC(N)CO MCULE-2141613120 [0,1,0,0,0,0|1,0,2]=4 1136 B6R0.1 COCC(N)CO MCULE-3194232042 [0,1,0,0,0,0|1,0,2]=4 1137 B6R0.1 COCC(N)CO MCULE-6545937769 [0,1,0,0,0,0|1,0,2]=4 1138 B6R0.1 COCC(N)CO MCULE-7989665777 [0,1,0,0,0,0|1,0,2]=4 1139 B6R0.1 COCC(O)C#N MCULE-2148015888 [0,1,0,0,0,0|2,0,1]=4 1140 B6R0.1 COCC(O)CBr MCULE-6900294714 [0,1,0,0,0,0|2,0,1]=4 1141 B6R0.1 COCC(O)CCl MCULE-9314630227 [0,1,0,0,0,0|2,0,1]=4 1142 B6R0.1 COCC(O)CF MCULE-1938415887 [0,1,0,0,0,0|2,0,1]=4 1143 B6R0.1 COCC(O)CN MCULE-2044547388 [0,1,0,0,0,0|2,0,1]=4 1144 B6R0.1 COCC(O)CN MCULE-2145726384 [0,1,0,0,0,0|2,0,1]=4 1145 B6R0.1 COCC(O)CN MCULE-3637597204 [0,1,0,0,0,0|2,0,1]=4 1146 B6R0.1 COCC(O)CO MCULE-1154104224 [0,1,0,0,0,0|1,0,2]=4 1147 B6R0.1 COC[C@@H](N)CO MCULE-2792470078 [0,1,0,0,0,0|1,0,2]=4 1148 B6R0.1 COC[C@@H](N)CO MCULE-3805343572 [0,1,0,0,0,0|1,0,2]=4 1149 B6R0.1 COC[C@@H](N)CO MCULE-7953239910 [0,1,0,0,0,0|1,0,2]=4 1150 B6R0.1 COC[C@@H](N)CO MCULE-9178553914 [0,1,0,0,0,0|1,0,2]=4 1151 B6R0.1 COC[C@@H](O)CN MCULE-2116679841 [0,1,0,0,0,0|2,0,1]=4 1152 B6R0.1 COC[C@@H](O)CN MCULE-4198842123 [0,1,0,0,0,0|2,0,1]=4 1153 B6R0.1 COC[C@@H](O)CN MCULE-6330998296 [0,1,0,0,0,0|2,0,1]=4 1154 B6R0.1 COC[C@H](C)CO MCULE-3120475252 [0,1,0,0,0,0|0,0,2]=3 1155 B6R0.1 COC[C@H](F)CN MCULE-2663238018 [0,1,0,0,0,0|2,0,1]=4 1156 B6R0.1 COC[C@H](N)CO MCULE-1678153673 [0,1,0,0,0,0|1,0,2]=4 1157 B6R0.1 COC[C@H](N)CO MCULE-2304967280 [0,1,0,0,0,0|1,0,2]=4 1158 B6R0.1 COC[C@H](N)CO MCULE-6509090198 [0,1,0,0,0,0|1,0,2]=4 1159 B6R0.1 COC[C@H](N)CO MCULE-9806530206 [0,1,0,0,0,0|1,0,2]=4 1160 B6R0.1 COC[C@H](O)CN MCULE-1962346446 [0,1,0,0,0,0|2,0,1]=4 1161 B6R0.1 COC[C@H](O)CN MCULE-6290984425 [0,1,0,0,0,0|2,0,1]=4 1162 B6R0.1 CON(C)CCN MCULE-9318319159 [0,1,0,0,0,0|3,0,0]=4 1163 B6R0.1 CSC(C)CC=O MCULE-9433914892 [0,1,0,0,0,0|1,0,0]=2 1164 B6R0.1 CSC(C)CCN MCULE-5474458753 [0,1,0,0,0,0|2,0,0]=3 1165 B6R0.1 CSC(C)CCO MCULE-4317600086 [0,1,0,0,0,0|2,0,0]=3 1166 B6R0.1 CSCC(C)CN MCULE-4493405290 [0,1,0,0,0,0|1,0,1]=3 1167 B6R0.1 CSCC(C)CO MCULE-3842820579 [0,1,0,0,0,0|0,0,2]=3 1168 B6R0.1 CSCC(O)CO MCULE-6573013078 [0,1,0,0,0,0|1,0,2]=4 1169 B6R0.1 C[C@@H](CN)N=[N+]=[N-] MCULE-7824219753 [0,1,0,0,0,0|3,0,0]=4 1170 B6R0.1 C[C@@H](CN)N=[N+]=[N-] MCULE-8820619468 [0,1,0,0,0,0|3,0,0]=4 1171 B6R0.1 C[C@@H](CO)CCN MCULE-4422620011 [0,1,0,0,0,0|0,0,2]=3 1172 B6R0.1 C[C@@H](CO)CCN MCULE-7560169391 [0,1,0,0,0,0|0,0,2]=3 1173 B6R0.1 C[C@@H](CO)CCO MCULE-6545491289 [0,1,0,0,0,0|0,0,2]=3 1174 B6R0.1 C[C@H](CN)N=[N+]=[N-] MCULE-6367279534 [0,1,0,0,0,0|3,0,0]=4 1175 B6R0.1 C[C@H](CN)N=[N+]=[N-] MCULE-9751083539 [0,1,0,0,0,0|3,0,0]=4 1176 B6R0.1 C[C@H](CO)CCO MCULE-2543010074 [0,1,0,0,0,0|0,0,2]=3 1177 B6R0.1 C[C@H](CO)CCO MCULE-6036462418 [0,1,0,0,0,0|0,0,2]=3 1178 B6R0.1 ClCC(Cl)CCBr MCULE-2469656567 [0,1,0,0,0,0|2,0,1]=4 1179 B6R0.1 FC(CBr)CCBr MCULE-2311323533 [0,1,0,0,0,0|2,0,1]=4 1180 B6R0.1 NC(CO)CCF MCULE-3691993352 [0,1,0,0,0,0|1,0,2]=4 1181 B6R0.1 NC(CO)CCO MCULE-3703088648 [0,1,0,0,0,0|1,0,2]=4 1182 B6R0.1 NC(CO)CCO MCULE-7609576462 [0,1,0,0,0,0|1,0,2]=4 1183 B6R0.1 NCC(N)CCO MCULE-2965554481 [0,1,0,0,0,0|2,0,1]=4 1184 B6R0.1 NCCC(F)CN MCULE-9478589176 [0,1,0,0,0,0|2,0,1]=4 1185 B6R0.1 NCCC(O)CN MCULE-9177974477 [0,1,0,0,0,0|2,0,1]=4 1186 B6R0.1 NCCC(O)CO MCULE-2556586168 [0,1,0,0,0,0|1,0,2]=4 1187 B6R0.1 N[C@@H](CO)CCO MCULE-4583236919 [0,1,0,0,0,0|1,0,2]=4 1188 B6R0.1 N[C@@H](CO)CCO MCULE-5489716742 [0,1,0,0,0,0|1,0,2]=4 1189 B6R0.1 N[C@H](CO)CCO MCULE-5338659573 [0,1,0,0,0,0|1,0,2]=4 1190 B6R0.1 N[C@H](CO)CCO MCULE-8998003003 [0,1,0,0,0,0|1,0,2]=4 1191 B6R0.1 N[C@H](CS)CCS MCULE-5846021725 [0,1,0,0,0,0|1,1,1]=4 1192 B6R0.1 N[C@H](CS)CCS MCULE-6871313350 [0,1,0,0,0,0|1,1,1]=4 1193 B6R0.1 N[C@H](CS)CCS MCULE-8095554848 [0,1,0,0,0,0|1,1,1]=4 1194 B6R0.1 N[C@H](CS)CCS MCULE-8177349504 [0,1,0,0,0,0|1,1,1]=4 1195 B6R0.1 O=CC[C@H](O)CCl MCULE-6385696769 [0,1,0,0,0,0|2,0,0]=3 1196 B6R0.1 OC(CBr)CCBr MCULE-5156583342 [0,1,0,0,0,0|2,0,1]=4 1197 B6R0.1 OC(CCl)CCCl MCULE-5495327725 [0,1,0,0,0,0|2,0,1]=4 1198 B6R0.1 OCCC(O)CCl MCULE-4752952606 [0,1,0,0,0,0|2,0,1]=4 1199 B6R0.1 OCCC(O)CO MCULE-6470178852 [0,1,0,0,0,0|1,0,2]=4 1200 B6R0.1 OCC[C@@H](Br)CO MCULE-4859199629 [0,1,0,0,0,0|1,0,2]=4 1201 B6R0.1 OCC[C@@H](O)CO MCULE-2312093276 [0,1,0,0,0,0|1,0,2]=4 1202 B6R0.1 OCC[C@@H](O)CO MCULE-4636748782 [0,1,0,0,0,0|1,0,2]=4 1203 B6R0.1 OCC[C@H](O)CBr MCULE-1990035925 [0,1,0,0,0,0|2,0,1]=4 1204 B6R0.1 OCC[C@H](O)CCl MCULE-4561806159 [0,1,0,0,0,0|2,0,1]=4 1205 B6R0.1 OCC[C@H](O)CCl MCULE-8582759529 [0,1,0,0,0,0|2,0,1]=4 1206 B6R0.1 OCC[C@H](O)CO MCULE-2265914374 [0,1,0,0,0,0|1,0,2]=4 1207 B6R0.1 OCC[C@H](O)CO MCULE-5459838421 [0,1,0,0,0,0|1,0,2]=4 1208 B6R0.1 O[C@@H](CBr)CCBr MCULE-2137750043 [0,1,0,0,0,0|2,0,1]=4 1209 B6R0.1 O[C@H](CBr)CCBr MCULE-2647046297 [0,1,0,0,0,0|2,0,1]=4 1210 B6R0.1 O[C@H](CBr)CCBr MCULE-5662911918 [0,1,0,0,0,0|2,0,1]=4 1211 B6R0.1 [C@@H](N)(CC)CC#N MCULE-3832898190 [0,1,0,0,0,0|2,0,1]=4 1212 B6R0.1 [C@H](N)(CC)CC#N MCULE-3962570164 [0,1,0,0,0,0|2,0,1]=4 1213 B6R0.1 [NH3+]CCC(F)C[NH3+] MCULE-8320233584 [0,1,0,0,0,0|2,0,1]=4 1214 B6R0.3 C#CC(N)C(C)C MCULE-3430729891 [0,1,0,0,0,0|2,0,1]=4 1215 B6R0.3 C#CC(N)C(C)C MCULE-7604887558 [0,1,0,0,0,0|2,0,1]=4 1216 B6R0.3 C#CC(O)C(=O)O MCULE-4214673632 [0,1,0,0,0,0|1,0,2]=4 1217 B6R0.3 C#CC(O)C(C)C MCULE-6729964061 [0,1,0,0,0,0|2,0,1]=4 1218 B6R0.3 C#C[C@@H](O)C(C)C MCULE-2957798079 [0,1,0,0,0,0|2,0,1]=4 1219 B6R0.3 C#C[C@H](O)C(C)C MCULE-7477457472 [0,1,0,0,0,0|2,0,1]=4 1220 B6R0.3 C(C)(OC)C(=O)O MCULE-4852209230 [0,1,0,0,0,0|1,0,0]=2 1221 B6R0.3 C(N)(CO)C(=O)N MCULE-5512645571 [0,1,0,0,0,0|2,0,0]=3 1222 B6R0.3 C(N)(CO)C(=O)N MCULE-5852943337 [0,1,0,0,0,0|2,0,0]=3 1223 B6R0.3 C/C=C(/C)\C(=O)O MCULE-2116066534 [0,1,0,0,0,0|0,0,2]=3 1224 B6R0.3 C/C=C(\Br)/C(=O)O MCULE-5940308548 [0,1,0,0,0,0|1,0,2]=4 1225 B6R0.3 C/C=C(\C)/C(=O)O MCULE-4890719796 [0,1,0,0,0,0|0,0,2]=3 1226 B6R0.3 C/C=C(\O)/C(=O)O MCULE-9596699660 [0,1,0,0,0,0|1,0,2]=4 1227 B6R0.3 C=C(C)C(C)CC MCULE-3736079313 [0,1,0,0,0,0|1,0,0]=2 1228 B6R0.3 C=C(CBr)C(=O)O MCULE-7257367588 [0,1,0,0,0,0|1,0,2]=4 1229 B6R0.3 C=C(CC)C(=O)O MCULE-7335567367 [0,1,0,0,0,0|0,0,2]=3 1230 B6R0.3 C=C(CO)C(=O)O MCULE-9731648602 [0,1,0,0,0,0|1,0,2]=4 1231 B6R0.3 C=C(I)C(C)CI MCULE-8558127481 [0,1,0,0,0,0|2,0,0]=3 1232 B6R0.3 C=C(I)[C@H](C)CI MCULE-1089285398 [0,1,0,0,0,0|2,0,0]=3 1233 B6R0.3 C=C(I)[C@H](C)CI MCULE-5444456468 [0,1,0,0,0,0|2,0,0]=3 1234 B6R0.3 C=C(OC)C(=O)O MCULE-9965334560 [0,1,0,0,0,0|1,0,2]=4 1235 B6R0.3 C=CC(=O)C(C)C MCULE-8577593172 [0,1,0,0,0,0|2,0,1]=4 1236 B6R0.3 C=CC(C)C(=O)O MCULE-7280145889 [0,1,0,0,0,0|0,0,2]=3 1237 B6R0.3 C=CC(C)C(C)C MCULE-4461669612 [0,1,0,0,0,0|1,0,0]=2 1238 B6R0.3 C=CC(C)C(C)O MCULE-5639096655 [0,1,0,0,0,0|1,0,0]=2 1239 B6R0.3 C=CC(N)C(=O)O MCULE-2000511750 [0,1,0,0,0,0|1,0,2]=4 1240 B6R0.3 C=CC(N)C(=O)O MCULE-7504415267 [0,1,0,0,0,0|1,0,2]=4 1241 B6R0.3 C=CC(N)C(=O)O MCULE-9012490000 [0,1,0,0,0,0|1,0,2]=4 1242 B6R0.3 C=CC(N)C(=O)O MCULE-9978294266 [0,1,0,0,0,0|1,0,2]=4 1243 B6R0.3 C=CC(O)C(=O)O MCULE-3847595710 [0,1,0,0,0,0|1,0,2]=4 1244 B6R0.3 C=CC(O)C(C)C MCULE-2504249276 [0,1,0,0,0,0|2,0,0]=3 1245 B6R0.3 C=CN(C)C(=O)C MCULE-2418332000 [0,1,0,0,0,0|1,0,2]=4 1246 B6R0.3 C=C[C@@H](C)C(=O)O MCULE-9719548038 [0,1,0,0,0,0|0,0,2]=3 1247 B6R0.3 C=C[C@@H](C)[C@@H](C)O MCULE-1946110265 [0,1,0,0,0,0|1,0,0]=2 1248 B6R0.3 C=C[C@@H](C)[C@@H](C)O MCULE-2042493608 [0,1,0,0,0,0|1,0,0]=2 1249 B6R0.3 C=C[C@@H](C)[C@H](C)O MCULE-1482556738 [0,1,0,0,0,0|1,0,0]=2 1250 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-3678761806 [0,1,0,0,0,0|1,0,2]=4 1251 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6682447306 [0,1,0,0,0,0|1,0,2]=4 1252 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6779191781 [0,1,0,0,0,0|1,0,2]=4 1253 B6R0.3 C=C[C@H](C)C(=O)O MCULE-1694697840 [0,1,0,0,0,0|0,0,2]=3 1254 B6R0.3 C=C[C@H](C)C(=O)O MCULE-2601438258 [0,1,0,0,0,0|0,0,2]=3 1255 B6R0.3 C=C[C@H](C)C(=O)O MCULE-6098133430 [0,1,0,0,0,0|0,0,2]=3 1256 B6R0.3 C=C[C@H](C)[C@@H](C)O MCULE-4591189626 [0,1,0,0,0,0|1,0,0]=2 1257 B6R0.3 C=C[C@H](C)[C@H](C)O MCULE-2180884086 [0,1,0,0,0,0|1,0,0]=2 1258 B6R0.3 C=C[C@H](C)[C@H](C)O MCULE-2347920403 [0,1,0,0,0,0|1,0,0]=2 1259 B6R0.3 C=C[C@H](N)C(=O)O MCULE-2657488498 [0,1,0,0,0,0|1,0,2]=4 1260 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5103456570 [0,1,0,0,0,0|1,0,2]=4 1261 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5936124947 [0,1,0,0,0,0|1,0,2]=4 1262 B6R0.3 C=C[C@H](N)C(=O)O MCULE-9631686254 [0,1,0,0,0,0|1,0,2]=4 1263 B6R0.3 CC(=C(C)CO)C MCULE-2852322197 [0,1,0,0,0,0|2,0,1]=4 1264 B6R0.3 CC(=CBr)C(=O)O MCULE-3682516046 [0,1,0,0,0,0|1,0,2]=4 1265 B6R0.3 CC(=NO)C(=O)O MCULE-8264934008 [0,1,0,0,0,0|2,0,1]=4 1266 B6R0.3 CC(=O)/C(=N/O)/C MCULE-2017881701 [0,1,0,0,0,0|2,0,1]=4 1267 B6R0.3 CC(=O)/C(=N\O)/C MCULE-6814264333 [0,1,0,0,0,0|2,0,1]=4 1268 B6R0.3 CC(=O)C(=NO)C MCULE-3626428375 [0,1,0,0,0,0|2,0,1]=4 1269 B6R0.3 CC(=O)C(=O)CBr MCULE-8560925164 [0,1,0,0,0,0|2,0,1]=4 1270 B6R0.3 CC(=O)C(=O)CCl MCULE-2778551811 [0,1,0,0,0,0|2,0,1]=4 1271 B6R0.3 CC(=O)C(Br)C=O MCULE-6904531970 [0,1,0,0,0,0|1,0,1]=3 1272 B6R0.3 CC(=O)C(C)C#N MCULE-3849364002 [0,1,0,0,0,0|1,0,1]=3 1273 B6R0.3 CC(=O)C(C)C=O MCULE-7133682970 [0,1,0,0,0,0|0,0,1]=2 1274 B6R0.3 CC(=O)C(C)CO MCULE-9026658672 [0,1,0,0,0,0|1,0,0]=2 1275 B6R0.3 CC(=O)C(Cl)C#N MCULE-7984925847 [0,1,0,0,0,0|2,0,1]=4 1276 B6R0.3 CC(=O)C(N)CO MCULE-4063057020 [0,1,0,0,0,0|2,0,0]=3 1277 B6R0.3 CC(=O)[C@@H](N)CO MCULE-9046372356 [0,1,0,0,0,0|2,0,0]=3 1278 B6R0.3 CC(Br)C(O)C#N MCULE-5520123598 [0,1,0,0,0,0|2,0,1]=4 1279 B6R0.3 CC(C#N)C(=O)N MCULE-2138676966 [0,1,0,0,0,0|1,0,1]=3 1280 B6R0.3 CC(C#N)C(=O)O MCULE-3302580561 [0,1,0,0,0,0|1,0,1]=3 1281 B6R0.3 CC(C#N)N(C)C MCULE-5893415129 [0,1,0,0,0,0|2,0,1]=4 1282 B6R0.3 CC(C)C(Br)C#N MCULE-3045325666 [0,1,0,0,0,0|2,0,1]=4 1283 B6R0.3 CC(C)C(Br)C=O MCULE-2054791376 [0,1,0,0,0,0|1,0,0]=2 1284 B6R0.3 CC(C)C(C)CBr MCULE-4323135623 [0,1,0,0,0,0|1,0,1]=3 1285 B6R0.3 CC(C)C(C)CN MCULE-1011041652 [0,1,0,0,0,0|1,0,1]=3 1286 B6R0.3 CC(C)C(C)CN MCULE-5682817467 [0,1,0,0,0,0|1,0,1]=3 1287 B6R0.3 CC(C)C(C)CO MCULE-7008552664 [0,1,0,0,0,0|0,0,2]=3 1288 B6R0.3 CC(C)C(C)NN MCULE-3145633578 [0,1,0,0,0,0|2,0,0]=3 1289 B6R0.3 CC(C)C(C)NN MCULE-5160672778 [0,1,0,0,0,0|2,0,0]=3 1290 B6R0.3 CC(C)C(C)NN MCULE-7702836838 [0,1,0,0,0,0|2,0,0]=3 1291 B6R0.3 CC(C)C(Cl)C#N MCULE-5102063658 [0,1,0,0,0,0|2,0,1]=4 1292 B6R0.3 CC(C)C(N)C#N MCULE-5486541909 [0,1,0,0,0,0|2,0,1]=4 1293 B6R0.3 CC(C)C(N)C#N MCULE-6250354053 [0,1,0,0,0,0|2,0,1]=4 1294 B6R0.3 CC(C)C(N)CF MCULE-4101575579 [0,1,0,0,0,0|2,0,1]=4 1295 B6R0.3 CC(C)C(N)CF MCULE-4888178244 [0,1,0,0,0,0|2,0,1]=4 1296 B6R0.3 CC(C)C(N)CN MCULE-3414430422 [0,1,0,0,0,0|2,0,1]=4 1297 B6R0.3 CC(C)C(N)CN MCULE-5279153780 [0,1,0,0,0,0|2,0,1]=4 1298 B6R0.3 CC(C)C(N)CO MCULE-2361921763 [0,1,0,0,0,0|1,0,2]=4 1299 B6R0.3 CC(C)C(N)CO MCULE-2989454077 [0,1,0,0,0,0|1,0,2]=4 1300 B6R0.3 CC(C)C(N)CO MCULE-9793548365 [0,1,0,0,0,0|1,0,2]=4 1301 B6R0.3 CC(C)C(O)C#N MCULE-1764798154 [0,1,0,0,0,0|2,0,1]=4 1302 B6R0.3 CC(C)C(O)CBr MCULE-1921145212 [0,1,0,0,0,0|2,0,1]=4 1303 B6R0.3 CC(C)C(O)CCl MCULE-7270676495 [0,1,0,0,0,0|2,0,1]=4 1304 B6R0.3 CC(C)C(O)CN MCULE-3560246402 [0,1,0,0,0,0|2,0,1]=4 1305 B6R0.3 CC(C)C(O)CN MCULE-9420842607 [0,1,0,0,0,0|2,0,1]=4 1306 B6R0.3 CC(C)C(O)CO MCULE-6069815474 [0,1,0,0,0,0|1,0,2]=4 1307 B6R0.3 CC(C)C(S)CO MCULE-1903780493 [0,1,0,0,0,0|1,0,2]=4 1308 B6R0.3 CC(C)N(C)N=O MCULE-3797884338 [0,1,0,0,0,0|2,0,0]=3 1309 B6R0.3 CC(C)[C@@H](C)CO MCULE-4943691177 [0,1,0,0,0,0|0,0,2]=3 1310 B6R0.3 CC(C)[C@@H](C)CO MCULE-6583781047 [0,1,0,0,0,0|0,0,2]=3 1311 B6R0.3 CC(C)[C@@H](N)C#N MCULE-3710740145 [0,1,0,0,0,0|2,0,1]=4 1312 B6R0.3 CC(C)[C@@H](N)C#N MCULE-6831295533 [0,1,0,0,0,0|2,0,1]=4 1313 B6R0.3 CC(C)[C@@H](N)CF MCULE-7429178470 [0,1,0,0,0,0|2,0,1]=4 1314 B6R0.3 CC(C)[C@@H](N)CF MCULE-7951488806 [0,1,0,0,0,0|2,0,1]=4 1315 B6R0.3 CC(C)[C@@H](N)CO MCULE-1135743088 [0,1,0,0,0,0|1,0,2]=4 1316 B6R0.3 CC(C)[C@@H](N)CO MCULE-3994511291 [0,1,0,0,0,0|1,0,2]=4 1317 B6R0.3 CC(C)[C@H](C)CO MCULE-9527582465 [0,1,0,0,0,0|0,0,2]=3 1318 B6R0.3 CC(C)[C@H](N)C#N MCULE-6519039369 [0,1,0,0,0,0|2,0,1]=4 1319 B6R0.3 CC(C)[C@H](N)C#N MCULE-8475611484 [0,1,0,0,0,0|2,0,1]=4 1320 B6R0.3 CC(C)[C@H](N)C=O MCULE-6686967175 [0,1,0,0,0,0|1,0,0]=2 1321 B6R0.3 CC(C)[C@H](N)CF MCULE-2978082368 [0,1,0,0,0,0|2,0,1]=4 1322 B6R0.3 CC(C)[C@H](N)CF MCULE-4609473233 [0,1,0,0,0,0|2,0,1]=4 1323 B6R0.3 CC(C)[C@H](N)CN MCULE-2884084983 [0,1,0,0,0,0|2,0,1]=4 1324 B6R0.3 CC(C)[C@H](N)CO MCULE-2625936994 [0,1,0,0,0,0|1,0,2]=4 1325 B6R0.3 CC(C)[C@H](N)CO MCULE-3229973889 [0,1,0,0,0,0|1,0,2]=4 1326 B6R0.3 CC(C)[C@H](N)CO MCULE-6090001117 [0,1,0,0,0,0|1,0,2]=4 1327 B6R0.3 CC(C)[C@H](N)CO MCULE-8284816696 [0,1,0,0,0,0|1,0,2]=4 1328 B6R0.3 CC(CBr)C(=O)O MCULE-1430003780 [0,1,0,0,0,0|1,0,0]=2 1329 B6R0.3 CC(CCl)N(C)C MCULE-1058476958 [0,1,0,0,0,0|2,0,1]=4 1330 B6R0.3 CC(CCl)N(C)C MCULE-3515287037 [0,1,0,0,0,0|2,0,1]=4 1331 B6R0.3 CC(CF)C(=O)O MCULE-7390028409 [0,1,0,0,0,0|1,0,0]=2 1332 B6R0.3 CC(CN)C(=O)O MCULE-5485986433 [0,1,0,0,0,0|1,0,0]=2 1333 B6R0.3 CC(CN)C(=O)O MCULE-5638884438 [0,1,0,0,0,0|1,0,0]=2 1334 B6R0.3 CC(CN)C(F)F MCULE-3764511329 [0,1,0,0,0,0|2,0,1]=4 1335 B6R0.3 CC(CN)C(F)F MCULE-3885392808 [0,1,0,0,0,0|2,0,1]=4 1336 B6R0.3 CC(CN)N(C)C MCULE-1383449400 [0,1,0,0,0,0|2,0,1]=4 1337 B6R0.3 CC(CN)N(C)C MCULE-9891789912 [0,1,0,0,0,0|2,0,1]=4 1338 B6R0.3 CC(CN)S(=O)C MCULE-9048112625 [0,1,0,0,0,0|2,0,0]=3 1339 B6R0.3 CC(CO)C(=O)O MCULE-2772009804 [0,1,0,0,0,0|1,0,0]=2 1340 B6R0.3 CC(CO)C(=O)[O-] MCULE-6956620176 [0,1,0,0,0,0|1,0,0]=2 1341 B6R0.3 CC(CO)N(=O)=O MCULE-5856696728 [0,1,0,0,0,0|2,0,0]=3 1342 B6R0.3 CC(CO)N(C)C MCULE-7300076854 [0,1,0,0,0,0|1,0,2]=4 1343 B6R0.3 CC(CO)N(C)N MCULE-8306784573 [0,1,0,0,0,0|1,0,2]=4 1344 B6R0.3 CC(CS)C(=O)O MCULE-9982386135 [0,1,0,0,0,0|1,0,0]=2 1345 B6R0.3 CC(Cl)C(O)CCl MCULE-5399761987 [0,1,0,0,0,0|2,0,1]=4 1346 B6R0.3 CC(N)C(C)CO MCULE-8179225289 [0,1,0,0,0,0|0,0,2]=3 1347 B6R0.3 CC(N)C(O)CO MCULE-8191126136 [0,1,0,0,0,0|1,0,2]=4 1348 B6R0.3 CC(O)C(C)C#N MCULE-2580244921 [0,1,0,0,0,0|1,0,1]=3 1349 B6R0.3 CC(O)C(C)CN MCULE-5251700993 [0,1,0,0,0,0|1,0,1]=3 1350 B6R0.3 CC(O)C(C)CO MCULE-4061946423 [0,1,0,0,0,0|0,0,2]=3 1351 B6R0.3 CC(O)C(N)CN MCULE-2787573482 [0,1,0,0,0,0|2,0,1]=4 1352 B6R0.3 CC(O)C(N)CN MCULE-5330950433 [0,1,0,0,0,0|2,0,1]=4 1353 B6R0.3 CC(O)C(N)CO MCULE-7733336449 [0,1,0,0,0,0|1,0,2]=4 1354 B6R0.3 CC(O)C(O)CN MCULE-6591390331 [0,1,0,0,0,0|2,0,1]=4 1355 B6R0.3 CC(O)C(O)CO MCULE-1795053551 [0,1,0,0,0,0|1,0,2]=4 1356 B6R0.3 CC(ON)C(=O)O MCULE-1969235976 [0,1,0,0,0,0|2,0,0]=3 1357 B6R0.3 CC(ON)C(=O)O MCULE-4318537884 [0,1,0,0,0,0|2,0,0]=3 1358 B6R0.3 CC(ON)C(=O)O MCULE-4455753863 [0,1,0,0,0,0|2,0,0]=3 1359 B6R0.3 CC(ON)C(=O)O MCULE-8893009712 [0,1,0,0,0,0|2,0,0]=3 1360 B6R0.3 CC(S)C(C)CO MCULE-5435813701 [0,1,0,0,0,0|0,0,2]=3 1361 B6R0.3 CC=C(Br)C(=O)O MCULE-5368794596 [0,1,0,0,0,0|1,0,2]=4 1362 B6R0.3 CC=C(C)C(=O)C MCULE-8950290711 [0,1,0,0,0,0|0,0,2]=3 1363 B6R0.3 CC=C(C)C(=O)Cl MCULE-2974704783 [0,1,0,0,0,0|0,0,2]=3 1364 B6R0.3 CC=C(C)C(=O)O MCULE-2390677360 [0,1,0,0,0,0|0,0,2]=3 1365 B6R0.3 CC=C(C)C(C)C MCULE-4070109813 [0,1,0,0,0,0|1,0,1]=3 1366 B6R0.3 CC=C(Cl)C(=O)O MCULE-5827690088 [0,1,0,0,0,0|1,0,2]=4 1367 B6R0.3 CC=C(F)C(=O)O MCULE-5053310707 [0,1,0,0,0,0|1,0,2]=4 1368 B6R0.3 CC=C(O)C(=O)O MCULE-7886990963 [0,1,0,0,0,0|1,0,2]=4 1369 B6R0.3 CCC(=C(C)C)C MCULE-7258057243 [0,1,0,0,0,0|1,0,1]=3 1370 B6R0.3 CCC(=O)C(=O)C MCULE-3065014067 [0,1,0,0,0,0|1,0,1]=3 1371 B6R0.3 CCC(=O)C(=O)O MCULE-8360398438 [0,1,0,0,0,0|1,0,1]=3 1372 B6R0.3 CCC(=O)C(=O)[O-] MCULE-7571698792 [0,1,0,0,0,0|1,0,1]=3 1373 B6R0.3 CCC(Br)C(=O)Br MCULE-2627972929 [0,1,0,0,0,0|1,0,0]=2 1374 B6R0.3 CCC(Br)C(=O)C MCULE-7759811805 [0,1,0,0,0,0|1,0,0]=2 1375 B6R0.3 CCC(Br)C(=O)Cl MCULE-1448867234 [0,1,0,0,0,0|1,0,0]=2 1376 B6R0.3 CCC(Br)C(=O)N MCULE-5823441392 [0,1,0,0,0,0|1,0,0]=2 1377 B6R0.3 CCC(Br)C(=O)O MCULE-4214463814 [0,1,0,0,0,0|1,0,0]=2 1378 B6R0.3 CCC(C)B(O)O MCULE-7544159454 [0,1,0,0,0,0|1,0,1]=3 1379 B6R0.3 CCC(C)C(=N)N MCULE-4070060089 [0,1,0,0,0,0|1,0,0]=2 1380 B6R0.3 CCC(C)C(=N)N MCULE-7020524406 [0,1,0,0,0,0|1,0,0]=2 1381 B6R0.3 CCC(C)C(=O)C MCULE-5294244024 [0,1,0,0,0,0|0,0,0]=1 1382 B6R0.3 CCC(C)C(=O)Cl MCULE-3594098886 [0,1,0,0,0,0|0,0,0]=1 1383 B6R0.3 CCC(C)C(=O)N MCULE-9298244547 [0,1,0,0,0,0|0,0,0]=1 1384 B6R0.3 CCC(C)C(=O)O MCULE-5615925204 [0,1,0,0,0,0|0,0,0]=1 1385 B6R0.3 CCC(C)C(=O)O MCULE-7434436828 [0,1,0,0,0,0|0,0,0]=1 1386 B6R0.3 CCC(C)C(=S)N MCULE-9682279721 [0,1,0,0,0,0|0,1,0]=2 1387 B6R0.3 CCC(C)C(C)Br MCULE-5368409335 [0,1,0,0,0,0|1,0,1]=3 1388 B6R0.3 CCC(C)C(C)C MCULE-9189749509 [0,1,0,0,0,0|1,0,1]=3 1389 B6R0.3 CCC(C)C(C)Cl MCULE-2663176330 [0,1,0,0,0,0|1,0,1]=3 1390 B6R0.3 CCC(C)C(C)N MCULE-1056466337 [0,1,0,0,0,0|1,0,1]=3 1391 B6R0.3 CCC(C)C(C)N MCULE-1503543126 [0,1,0,0,0,0|1,0,1]=3 1392 B6R0.3 CCC(C)C(C)O MCULE-8290655999 [0,1,0,0,0,0|0,0,2]=3 1393 B6R0.3 CCC(Cl)C(=O)Cl MCULE-6260726168 [0,1,0,0,0,0|1,0,0]=2 1394 B6R0.3 CCC(Cl)C(=O)N MCULE-7941338456 [0,1,0,0,0,0|1,0,0]=2 1395 B6R0.3 CCC(Cl)C(=O)O MCULE-6325944516 [0,1,0,0,0,0|1,0,0]=2 1396 B6R0.3 CCC(F)C(=O)O MCULE-3947852767 [0,1,0,0,0,0|1,0,0]=2 1397 B6R0.3 CCC(N)C(=O)N MCULE-2662930657 [0,1,0,0,0,0|1,0,0]=2 1398 B6R0.3 CCC(N)C(=O)N MCULE-5136248706 [0,1,0,0,0,0|1,0,0]=2 1399 B6R0.3 CCC(N)C(=O)N MCULE-8876361903 [0,1,0,0,0,0|1,0,0]=2 1400 B6R0.3 CCC(N)C(=O)N MCULE-9704177556 [0,1,0,0,0,0|1,0,0]=2 1401 B6R0.3 CCC(N)C(=O)O MCULE-2132009026 [0,1,0,0,0,0|1,0,0]=2 1402 B6R0.3 CCC(N)C(=O)O MCULE-7397078475 [0,1,0,0,0,0|1,0,0]=2 1403 B6R0.3 CCC(N)C(=O)O MCULE-8052711911 [0,1,0,0,0,0|1,0,0]=2 1404 B6R0.3 CCC(N)C(=O)O MCULE-9815187967 [0,1,0,0,0,0|1,0,0]=2 1405 B6R0.3 CCC(N)C(C)C MCULE-3624338196 [0,1,0,0,0,0|2,0,1]=4 1406 B6R0.3 CCC(N)C(C)C MCULE-4491326477 [0,1,0,0,0,0|2,0,1]=4 1407 B6R0.3 CCC(N)C(C)O MCULE-2752432664 [0,1,0,0,0,0|1,0,2]=4 1408 B6R0.3 CCC(N)C(C)O MCULE-6087590428 [0,1,0,0,0,0|1,0,2]=4 1409 B6R0.3 CCC(N)C(F)F MCULE-3079670807 [0,1,0,0,0,0|2,0,1]=4 1410 B6R0.3 CCC(N)C(F)F MCULE-4157824434 [0,1,0,0,0,0|2,0,1]=4 1411 B6R0.3 CCC(O)C(=O)N MCULE-4290959224 [0,1,0,0,0,0|1,0,0]=2 1412 B6R0.3 CCC(O)C(=O)O MCULE-1958918710 [0,1,0,0,0,0|1,0,0]=2 1413 B6R0.3 CCC(O)C(=O)O MCULE-2006594131 [0,1,0,0,0,0|1,0,0]=2 1414 B6R0.3 CCC(O)C(=O)[O-] MCULE-5297669254 [0,1,0,0,0,0|1,0,0]=2 1415 B6R0.3 CCC(O)C(=O)[O-] MCULE-5740032698 [0,1,0,0,0,0|1,0,0]=2 1416 B6R0.3 CCC(O)C(C)C MCULE-1130775455 [0,1,0,0,0,0|2,0,1]=4 1417 B6R0.3 CCC(O)C(C)N MCULE-4027170059 [0,1,0,0,0,0|2,0,1]=4 1418 B6R0.3 CCC(O)C(C)O MCULE-1468922095 [0,1,0,0,0,0|1,0,2]=4 1419 B6R0.3 CCC(S)C(=O)C MCULE-4243782106 [0,1,0,0,0,0|1,0,0]=2 1420 B6R0.3 CCC(S)C(=O)O MCULE-9887370695 [0,1,0,0,0,0|1,0,0]=2 1421 B6R0.3 CCN(C)C(=N)N MCULE-1941465818 [0,1,0,0,0,0|2,0,0]=3 1422 B6R0.3 CCN(C)C(=O)C MCULE-6881823095 [0,1,0,0,0,0|1,0,0]=2 1423 B6R0.3 CCN(C)C(=O)Cl MCULE-3697487267 [0,1,0,0,0,0|1,0,0]=2 1424 B6R0.3 CCN(N)C(=O)N MCULE-8674876262 [0,1,0,0,0,0|2,0,0]=3 1425 B6R0.3 CCN(O)C(=O)C MCULE-8547381969 [0,1,0,0,0,0|2,0,0]=3 1426 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-3890418201 [0,1,0,0,0,0|1,0,0]=2 1427 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-5910145154 [0,1,0,0,0,0|1,0,0]=2 1428 B6R0.3 CC[C@@H](C)C(=O)N MCULE-3083676357 [0,1,0,0,0,0|0,0,0]=1 1429 B6R0.3 CC[C@@H](C)C(=O)N MCULE-4584753474 [0,1,0,0,0,0|0,0,0]=1 1430 B6R0.3 CC[C@@H](C)C(=O)O MCULE-4225604875 [0,1,0,0,0,0|0,0,0]=1 1431 B6R0.3 CC[C@@H](C)C(=O)O MCULE-6581991788 [0,1,0,0,0,0|0,0,0]=1 1432 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-2496023102 [0,1,0,0,0,0|1,0,0]=2 1433 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-9719915588 [0,1,0,0,0,0|1,0,0]=2 1434 B6R0.3 CC[C@@H](N)C(=O)N MCULE-2790345262 [0,1,0,0,0,0|1,0,0]=2 1435 B6R0.3 CC[C@@H](N)C(=O)N MCULE-3501293124 [0,1,0,0,0,0|1,0,0]=2 1436 B6R0.3 CC[C@@H](N)C(=O)N MCULE-4913204798 [0,1,0,0,0,0|1,0,0]=2 1437 B6R0.3 CC[C@@H](N)C(=O)N MCULE-5005994513 [0,1,0,0,0,0|1,0,0]=2 1438 B6R0.3 CC[C@@H](N)C(=O)O MCULE-3824768448 [0,1,0,0,0,0|1,0,0]=2 1439 B6R0.3 CC[C@@H](N)C(=O)O MCULE-7078248621 [0,1,0,0,0,0|1,0,0]=2 1440 B6R0.3 CC[C@@H](N)C(=O)O MCULE-8856363896 [0,1,0,0,0,0|1,0,0]=2 1441 B6R0.3 CC[C@@H](N)C(=O)O MCULE-9662763952 [0,1,0,0,0,0|1,0,0]=2 1442 B6R0.3 CC[C@@H](N)[C@H](C)O MCULE-8294520512 [0,1,0,0,0,0|1,0,2]=4 1443 B6R0.3 CC[C@@H](N)[C@H](C)O MCULE-9521001934 [0,1,0,0,0,0|1,0,2]=4 1444 B6R0.3 CC[C@@H](O)C(=O)O MCULE-8118182602 [0,1,0,0,0,0|1,0,0]=2 1445 B6R0.3 CC[C@@H](O)C(=O)O MCULE-9744322272 [0,1,0,0,0,0|1,0,0]=2 1446 B6R0.3 CC[C@@H](O)C(C)C MCULE-3684327261 [0,1,0,0,0,0|2,0,1]=4 1447 B6R0.3 CC[C@H](Br)C(=O)O MCULE-2859668715 [0,1,0,0,0,0|1,0,0]=2 1448 B6R0.3 CC[C@H](Br)C(=O)O MCULE-9989821197 [0,1,0,0,0,0|1,0,0]=2 1449 B6R0.3 CC[C@H](C)C(=O)O MCULE-5170193492 [0,1,0,0,0,0|0,0,0]=1 1450 B6R0.3 CC[C@H](C)C(=O)O MCULE-6595467867 [0,1,0,0,0,0|0,0,0]=1 1451 B6R0.3 CC[C@H](Cl)C(=O)O MCULE-8870390851 [0,1,0,0,0,0|1,0,0]=2 1452 B6R0.3 CC[C@H](N)C(=O)N MCULE-1934671300 [0,1,0,0,0,0|1,0,0]=2 1453 B6R0.3 CC[C@H](N)C(=O)N MCULE-3034729287 [0,1,0,0,0,0|1,0,0]=2 1454 B6R0.3 CC[C@H](N)C(=O)N MCULE-6902117665 [0,1,0,0,0,0|1,0,0]=2 1455 B6R0.3 CC[C@H](N)C(=O)N MCULE-9419812665 [0,1,0,0,0,0|1,0,0]=2 1456 B6R0.3 CC[C@H](N)C(=O)O MCULE-3597025691 [0,1,0,0,0,0|1,0,0]=2 1457 B6R0.3 CC[C@H](N)C(=O)O MCULE-5445914617 [0,1,0,0,0,0|1,0,0]=2 1458 B6R0.3 CC[C@H](N)C(=O)O MCULE-7781302707 [0,1,0,0,0,0|1,0,0]=2 1459 B6R0.3 CC[C@H](N)C(=O)O MCULE-8446392822 [0,1,0,0,0,0|1,0,0]=2 1460 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-2161876558 [0,1,0,0,0,0|1,0,1]=3 1461 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-6045953433 [0,1,0,0,0,0|1,0,1]=3 1462 B6R0.3 CC[C@H](N)C(C)C MCULE-3200638239 [0,1,0,0,0,0|2,0,1]=4 1463 B6R0.3 CC[C@H](N)C(C)C MCULE-4973720203 [0,1,0,0,0,0|2,0,1]=4 1464 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-1930738992 [0,1,0,0,0,0|1,0,2]=4 1465 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-4226147180 [0,1,0,0,0,0|1,0,2]=4 1466 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-7445496718 [0,1,0,0,0,0|1,0,2]=4 1467 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-9770959398 [0,1,0,0,0,0|1,0,2]=4 1468 B6R0.3 CC[C@H](N)[C@H](C)O MCULE-3878355824 [0,1,0,0,0,0|1,0,2]=4 1469 B6R0.3 CC[C@H](N)[C@H](C)O MCULE-4791160457 [0,1,0,0,0,0|1,0,2]=4 1470 B6R0.3 CC[C@H](O)C(=O)O MCULE-4284991317 [0,1,0,0,0,0|1,0,0]=2 1471 B6R0.3 CC[C@H](O)C(=O)O MCULE-6782147427 [0,1,0,0,0,0|1,0,0]=2 1472 B6R0.3 CC[C@H](O)C(=O)[O-] MCULE-6073275709 [0,1,0,0,0,0|1,0,0]=2 1473 B6R0.3 CC[C@H](O)C(C)C MCULE-9659963395 [0,1,0,0,0,0|2,0,1]=4 1474 B6R0.3 CN(N=O)C(=O)N MCULE-7683488639 [0,1,0,0,0,0|3,0,0]=4 1475 B6R0.3 CNC(=O)C(=O)O MCULE-5436132271 [0,1,0,0,0,0|2,0,1]=4 1476 B6R0.3 CNC(C)C(=O)N MCULE-1426280147 [0,1,0,0,0,0|1,0,0]=2 1477 B6R0.3 CNC(C)C(=O)N MCULE-2344663168 [0,1,0,0,0,0|1,0,0]=2 1478 B6R0.3 CNC(C)C(=O)O MCULE-4088114502 [0,1,0,0,0,0|1,0,0]=2 1479 B6R0.3 CNC(C)C(=O)O MCULE-7300169560 [0,1,0,0,0,0|1,0,0]=2 1480 B6R0.3 CNC(C)C(=O)O MCULE-8623956615 [0,1,0,0,0,0|1,0,0]=2 1481 B6R0.3 CNC(C)C(C)C MCULE-3041212030 [0,1,0,0,0,0|2,0,0]=3 1482 B6R0.3 CNC(C)C(C)C MCULE-7052543779 [0,1,0,0,0,0|2,0,0]=3 1483 B6R0.3 CN[C@@H](C)C(=O)N MCULE-3316985921 [0,1,0,0,0,0|1,0,0]=2 1484 B6R0.3 CN[C@@H](C)C(=O)O MCULE-2079366664 [0,1,0,0,0,0|1,0,0]=2 1485 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4072364377 [0,1,0,0,0,0|1,0,0]=2 1486 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4518259073 [0,1,0,0,0,0|1,0,0]=2 1487 B6R0.3 CN[C@@H](C)C(=O)O MCULE-8200069325 [0,1,0,0,0,0|1,0,0]=2 1488 B6R0.3 CN[C@H](C)C(=O)O MCULE-2777429698 [0,1,0,0,0,0|1,0,0]=2 1489 B6R0.3 CN[C@H](C)C(=O)O MCULE-7282734154 [0,1,0,0,0,0|1,0,0]=2 1490 B6R0.3 CN[C@H](C)C(=O)O MCULE-9709122579 [0,1,0,0,0,0|1,0,0]=2 1491 B6R0.3 COC(=O)C(=O)C MCULE-5423483210 [0,1,0,0,0,0|2,0,1]=4 1492 B6R0.3 COC(=O)C(=O)Cl MCULE-1380456689 [0,1,0,0,0,0|2,0,1]=4 1493 B6R0.3 COC(=O)C(=O)O MCULE-8527842270 [0,1,0,0,0,0|2,0,1]=4 1494 B6R0.3 COC(=O)C(=O)[O-] MCULE-5187907456 [0,1,0,0,0,0|2,0,1]=4 1495 B6R0.3 COC(Br)C(=O)C MCULE-1220922171 [0,1,0,0,0,0|2,0,0]=3 1496 B6R0.3 COC(Br)C(=O)O MCULE-9018983840 [0,1,0,0,0,0|2,0,0]=3 1497 B6R0.3 COC(C)C(=O)C MCULE-8058502137 [0,1,0,0,0,0|1,0,0]=2 1498 B6R0.3 COC(C)C(=O)N MCULE-5955494048 [0,1,0,0,0,0|1,0,0]=2 1499 B6R0.3 COC(C)C(=O)O MCULE-8913745653 [0,1,0,0,0,0|1,0,0]=2 1500 B6R0.3 COC(C)C(=S)N MCULE-6827196665 [0,1,0,0,0,0|1,1,0]=3 1501 B6R0.3 COC(C)C(C)O MCULE-9844405908 [0,1,0,0,0,0|2,0,0]=3 1502 B6R0.3 COC(C)[C@@H](C)N MCULE-2029978265 [0,1,0,0,0,0|2,0,0]=3 1503 B6R0.3 COC(C)[C@@H](C)N MCULE-4755003017 [0,1,0,0,0,0|2,0,0]=3 1504 B6R0.3 COC(C)[C@@H](C)N MCULE-9820337483 [0,1,0,0,0,0|2,0,0]=3 1505 B6R0.3 COC(C)[C@@H](C)N MCULE-9820818995 [0,1,0,0,0,0|2,0,0]=3 1506 B6R0.3 CON(C)C(=O)C MCULE-8559238750 [0,1,0,0,0,0|2,0,0]=3 1507 B6R0.3 CON(C)C(=O)Cl MCULE-7217619495 [0,1,0,0,0,0|2,0,0]=3 1508 B6R0.3 CO[C@@H](C)C(=O)Cl MCULE-9335923061 [0,1,0,0,0,0|1,0,0]=2 1509 B6R0.3 CO[C@@H](C)C(=O)O MCULE-7456458246 [0,1,0,0,0,0|1,0,0]=2 1510 B6R0.3 CO[C@@H](C)C(=O)O MCULE-8108977564 [0,1,0,0,0,0|1,0,0]=2 1511 B6R0.3 CO[C@H](C)C(=O)O MCULE-3078851913 [0,1,0,0,0,0|1,0,0]=2 1512 B6R0.3 CO[C@H](C)C(=O)O MCULE-5370950850 [0,1,0,0,0,0|1,0,0]=2 1513 B6R0.3 CSC(C)C(=O)C MCULE-8567808254 [0,1,0,0,0,0|1,0,0]=2 1514 B6R0.3 CSC(C)C(=O)O MCULE-8062487948 [0,1,0,0,0,0|1,0,0]=2 1515 B6R0.3 CSC(C)C(C)O MCULE-9554880840 [0,1,0,0,0,0|2,0,0]=3 1516 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4438181090 [0,1,0,0,0,0|1,0,0]=2 1517 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4599481344 [0,1,0,0,0,0|1,0,0]=2 1518 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5826933618 [0,1,0,0,0,0|1,0,0]=2 1519 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5914856504 [0,1,0,0,0,0|1,0,0]=2 1520 B6R0.3 C[C@@H](CO)C(=O)O MCULE-1381224499 [0,1,0,0,0,0|1,0,0]=2 1521 B6R0.3 C[C@@H](CO)C(=O)O MCULE-4599417419 [0,1,0,0,0,0|1,0,0]=2 1522 B6R0.3 C[C@@H](CO)N(C)C MCULE-4388248602 [0,1,0,0,0,0|1,0,2]=4 1523 B6R0.3 C[C@@H](CS)N(C)C MCULE-7111398165 [0,1,0,0,0,0|1,1,1]=4 1524 B6R0.3 C[C@@H](F)[C@@H](F)CN MCULE-9285557840 [0,1,0,0,0,0|2,0,1]=4 1525 B6R0.3 C[C@@H](F)[C@H](F)CN MCULE-9353092073 [0,1,0,0,0,0|2,0,1]=4 1526 B6R0.3 C[C@@H](O)[C@@H](N)CO MCULE-1499224916 [0,1,0,0,0,0|1,0,2]=4 1527 B6R0.3 C[C@@H](O)[C@@H](N)CO MCULE-3539522955 [0,1,0,0,0,0|1,0,2]=4 1528 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-1381786707 [0,1,0,0,0,0|1,0,2]=4 1529 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-3627537672 [0,1,0,0,0,0|1,0,2]=4 1530 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-5429038645 [0,1,0,0,0,0|1,0,2]=4 1531 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-6146168744 [0,1,0,0,0,0|1,0,2]=4 1532 B6R0.3 C[C@@H](ON)C(=O)O MCULE-1538722507 [0,1,0,0,0,0|2,0,0]=3 1533 B6R0.3 C[C@@H](ON)C(=O)O MCULE-3835402446 [0,1,0,0,0,0|2,0,0]=3 1534 B6R0.3 C[C@H](CN)C(=O)O MCULE-3703540023 [0,1,0,0,0,0|1,0,0]=2 1535 B6R0.3 C[C@H](CN)C(=O)O MCULE-5714771083 [0,1,0,0,0,0|1,0,0]=2 1536 B6R0.3 C[C@H](CN)C(=O)O MCULE-9009901306 [0,1,0,0,0,0|1,0,0]=2 1537 B6R0.3 C[C@H](CN)C(=O)O MCULE-9217365463 [0,1,0,0,0,0|1,0,0]=2 1538 B6R0.3 C[C@H](CO)C(=O)O MCULE-7012562122 [0,1,0,0,0,0|1,0,0]=2 1539 B6R0.3 C[C@H](CO)C(=O)O MCULE-9702865885 [0,1,0,0,0,0|1,0,0]=2 1540 B6R0.3 C[C@H](CO)C(=O)[O-] MCULE-5733737039 [0,1,0,0,0,0|1,0,0]=2 1541 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-5329315346 [0,1,0,0,0,0|1,0,2]=4 1542 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-7239426628 [0,1,0,0,0,0|1,0,2]=4 1543 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-7437797788 [0,1,0,0,0,0|1,0,2]=4 1544 B6R0.3 C[C@H](O)[C@H](N)CO MCULE-2378004602 [0,1,0,0,0,0|1,0,2]=4 1545 B6R0.3 C[C@H](O)[C@H](N)CO MCULE-9436764758 [0,1,0,0,0,0|1,0,2]=4 1546 B6R0.3 C[C@H](ON)C(=O)O MCULE-3327889540 [0,1,0,0,0,0|2,0,0]=3 1547 B6R0.3 C[C@H](ON)C(=O)O MCULE-4523264650 [0,1,0,0,0,0|2,0,0]=3 1548 B6R0.3 N#CC(Br)C(=O)N MCULE-3091108124 [0,1,0,0,0,0|2,0,1]=4 1549 B6R0.3 N#CC(N)C(=O)N MCULE-3175667831 [0,1,0,0,0,0|2,0,1]=4 1550 B6R0.3 NC(=O)C(Br)CBr MCULE-3438242131 [0,1,0,0,0,0|2,0,0]=3 1551 B6R0.3 NC(=O)C(Cl)CCl MCULE-9549750186 [0,1,0,0,0,0|2,0,0]=3 1552 B6R0.3 NC(=O)C(N)CO MCULE-4842751232 [0,1,0,0,0,0|2,0,0]=3 1553 B6R0.3 NC(=O)C(N)CO MCULE-6854366147 [0,1,0,0,0,0|2,0,0]=3 1554 B6R0.3 NC(=O)C(N)CS MCULE-3144051628 [0,1,0,0,0,0|2,0,0]=3 1555 B6R0.3 NC(=O)C(N)CS MCULE-7739536595 [0,1,0,0,0,0|2,0,0]=3 1556 B6R0.3 NC(=O)[C@@H](N)CO MCULE-2185844038 [0,1,0,0,0,0|2,0,0]=3 1557 B6R0.3 NC(=O)[C@@H](N)CO MCULE-3623516041 [0,1,0,0,0,0|2,0,0]=3 1558 B6R0.3 NC(=O)[C@@H](N)CO MCULE-6218638108 [0,1,0,0,0,0|2,0,0]=3 1559 B6R0.3 NC(=O)[C@@H](N)CS MCULE-9790378691 [0,1,0,0,0,0|2,0,0]=3 1560 B6R0.3 NC(=O)[C@H](N)CO MCULE-2061645482 [0,1,0,0,0,0|2,0,0]=3 1561 B6R0.3 NC(=O)[C@H](N)CO MCULE-5920366137 [0,1,0,0,0,0|2,0,0]=3 1562 B6R0.3 NC(=O)[C@H](N)CO MCULE-7612340519 [0,1,0,0,0,0|2,0,0]=3 1563 B6R0.3 NC(=O)[C@H](N)CO MCULE-7734326153 [0,1,0,0,0,0|2,0,0]=3 1564 B6R0.3 NC(CCl)C(=O)O MCULE-1601405489 [0,1,0,0,0,0|2,0,0]=3 1565 B6R0.3 NC(CCl)C(=O)O MCULE-3020306643 [0,1,0,0,0,0|2,0,0]=3 1566 B6R0.3 NC(CCl)C(=O)O MCULE-5440349631 [0,1,0,0,0,0|2,0,0]=3 1567 B6R0.3 NC(CF)C(=O)O MCULE-3274339636 [0,1,0,0,0,0|2,0,0]=3 1568 B6R0.3 NC(CO)C(=O)O MCULE-2425237422 [0,1,0,0,0,0|2,0,0]=3 1569 B6R0.3 NC(CO)C(=O)O MCULE-6460387318 [0,1,0,0,0,0|2,0,0]=3 1570 B6R0.3 NC(CS)C(=O)O MCULE-1666411258 [0,1,0,0,0,0|2,0,0]=3 1571 B6R0.3 NC(CS)C(=O)O MCULE-2938329352 [0,1,0,0,0,0|2,0,0]=3 1572 B6R0.3 NC(CS)C(=O)O MCULE-7203902929 [0,1,0,0,0,0|2,0,0]=3 1573 B6R0.3 NC(CS)C(=O)O MCULE-7790846545 [0,1,0,0,0,0|2,0,0]=3 1574 B6R0.3 NCC(Br)C(=O)O MCULE-2289205408 [0,1,0,0,0,0|2,0,0]=3 1575 B6R0.3 NCC(Br)C(=O)O MCULE-9361399143 [0,1,0,0,0,0|2,0,0]=3 1576 B6R0.3 NCC(F)C(=O)O MCULE-5666887061 [0,1,0,0,0,0|2,0,0]=3 1577 B6R0.3 NCC(F)C(=O)O MCULE-6134707533 [0,1,0,0,0,0|2,0,0]=3 1578 B6R0.3 NCC(N)C(=O)O MCULE-1867799207 [0,1,0,0,0,0|2,0,0]=3 1579 B6R0.3 NCC(N)C(=O)O MCULE-4853376364 [0,1,0,0,0,0|2,0,0]=3 1580 B6R0.3 NCC(N)C(=O)O MCULE-7636331821 [0,1,0,0,0,0|2,0,0]=3 1581 B6R0.3 NCC(N)C(=O)O MCULE-7735444546 [0,1,0,0,0,0|2,0,0]=3 1582 B6R0.3 NCC(N)C(=O)O MCULE-9197553017 [0,1,0,0,0,0|2,0,0]=3 1583 B6R0.3 NCC(O)C(=O)N MCULE-1543465850 [0,1,0,0,0,0|2,0,0]=3 1584 B6R0.3 NCC(O)C(=O)N MCULE-9574499203 [0,1,0,0,0,0|2,0,0]=3 1585 B6R0.3 NCC(O)C(=O)O MCULE-2137675488 [0,1,0,0,0,0|2,0,0]=3 1586 B6R0.3 NCC(O)C(=O)O MCULE-3348306437 [0,1,0,0,0,0|2,0,0]=3 1587 B6R0.3 NC[C@@H](F)C(=O)O MCULE-3544959183 [0,1,0,0,0,0|2,0,0]=3 1588 B6R0.3 NC[C@@H](F)C(=O)O MCULE-4122418685 [0,1,0,0,0,0|2,0,0]=3 1589 B6R0.3 NC[C@@H](F)C(=O)O MCULE-8592364466 [0,1,0,0,0,0|2,0,0]=3 1590 B6R0.3 NC[C@@H](F)C(=O)O MCULE-9106826144 [0,1,0,0,0,0|2,0,0]=3 1591 B6R0.3 NC[C@@H](N)C(=O)O MCULE-5363126654 [0,1,0,0,0,0|2,0,0]=3 1592 B6R0.3 NC[C@@H](N)C(=O)O MCULE-8998345978 [0,1,0,0,0,0|2,0,0]=3 1593 B6R0.3 NC[C@@H](N)C(=O)O MCULE-9125384126 [0,1,0,0,0,0|2,0,0]=3 1594 B6R0.3 NC[C@@H](O)C(=O)O MCULE-5922773276 [0,1,0,0,0,0|2,0,0]=3 1595 B6R0.3 NC[C@@H](O)C(=O)O MCULE-8921832932 [0,1,0,0,0,0|2,0,0]=3 1596 B6R0.3 NC[C@H](F)C(=O)O MCULE-2695037152 [0,1,0,0,0,0|2,0,0]=3 1597 B6R0.3 NC[C@H](F)C(=O)O MCULE-4323150722 [0,1,0,0,0,0|2,0,0]=3 1598 B6R0.3 NC[C@H](F)C(=O)O MCULE-6701791437 [0,1,0,0,0,0|2,0,0]=3 1599 B6R0.3 NC[C@H](F)C(=O)O MCULE-7674783008 [0,1,0,0,0,0|2,0,0]=3 1600 B6R0.3 NC[C@H](N)C(=O)O MCULE-1389567062 [0,1,0,0,0,0|2,0,0]=3 1601 B6R0.3 NC[C@H](N)C(=O)O MCULE-1833064192 [0,1,0,0,0,0|2,0,0]=3 1602 B6R0.3 NC[C@H](N)C(=O)O MCULE-2347369254 [0,1,0,0,0,0|2,0,0]=3 1603 B6R0.3 NC[C@H](N)C(=O)O MCULE-2781423323 [0,1,0,0,0,0|2,0,0]=3 1604 B6R0.3 NC[C@H](N)C(=O)O MCULE-6498458695 [0,1,0,0,0,0|2,0,0]=3 1605 B6R0.3 NC[C@H](N)C(=O)O MCULE-8313668715 [0,1,0,0,0,0|2,0,0]=3 1606 B6R0.3 NC[C@H](O)C(=O)O MCULE-5854124012 [0,1,0,0,0,0|2,0,0]=3 1607 B6R0.3 NC[C@H](O)C(=O)O MCULE-7536593166 [0,1,0,0,0,0|2,0,0]=3 1608 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-2896868744 [0,1,0,0,0,0|2,0,0]=3 1609 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-5799339909 [0,1,0,0,0,0|2,0,0]=3 1610 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-7445121230 [0,1,0,0,0,0|2,0,0]=3 1611 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-9137000163 [0,1,0,0,0,0|2,0,0]=3 1612 B6R0.3 N[C@@H](CO)C(=O)O MCULE-4580794842 [0,1,0,0,0,0|2,0,0]=3 1613 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5604658333 [0,1,0,0,0,0|2,0,0]=3 1614 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5884286841 [0,1,0,0,0,0|2,0,0]=3 1615 B6R0.3 N[C@@H](CO)C(=O)O MCULE-6118038121 [0,1,0,0,0,0|2,0,0]=3 1616 B6R0.3 N[C@@H](CS)C(=O)O MCULE-1896679526 [0,1,0,0,0,0|2,0,0]=3 1617 B6R0.3 N[C@@H](CS)C(=O)O MCULE-2206038012 [0,1,0,0,0,0|2,0,0]=3 1618 B6R0.3 N[C@@H](CS)C(=O)O MCULE-6337217524 [0,1,0,0,0,0|2,0,0]=3 1619 B6R0.3 N[C@@H](CS)C(=O)O MCULE-9685479191 [0,1,0,0,0,0|2,0,0]=3 1620 B6R0.3 N[C@H](CCl)C(=O)O MCULE-2647266636 [0,1,0,0,0,0|2,0,0]=3 1621 B6R0.3 N[C@H](CCl)C(=O)O MCULE-7797369596 [0,1,0,0,0,0|2,0,0]=3 1622 B6R0.3 N[C@H](CCl)C(=O)O MCULE-8133148482 [0,1,0,0,0,0|2,0,0]=3 1623 B6R0.3 N[C@H](CCl)C(=O)O MCULE-9324545858 [0,1,0,0,0,0|2,0,0]=3 1624 B6R0.3 N[C@H](CF)C(=O)O MCULE-4766495272 [0,1,0,0,0,0|2,0,0]=3 1625 B6R0.3 N[C@H](CF)C(=O)O MCULE-7679315401 [0,1,0,0,0,0|2,0,0]=3 1626 B6R0.3 N[C@H](CO)C(=O)O MCULE-3271603208 [0,1,0,0,0,0|2,0,0]=3 1627 B6R0.3 N[C@H](CO)C(=O)O MCULE-8560981570 [0,1,0,0,0,0|2,0,0]=3 1628 B6R0.3 N[C@H](CS)C(=O)O MCULE-2137827959 [0,1,0,0,0,0|2,0,0]=3 1629 B6R0.3 N[C@H](CS)C(=O)O MCULE-4521387126 [0,1,0,0,0,0|2,0,0]=3 1630 B6R0.3 N[C@H](CS)C(=O)O MCULE-7201506202 [0,1,0,0,0,0|2,0,0]=3 1631 B6R0.3 N[C@H](CS)C(=O)O MCULE-9147562606 [0,1,0,0,0,0|2,0,0]=3 1632 B6R0.3 O=C(Cl)C(=O)CBr MCULE-1637788630 [0,1,0,0,0,0|2,0,1]=4 1633 B6R0.3 O=C(Cl)C(Br)CBr MCULE-8490174834 [0,1,0,0,0,0|2,0,0]=3 1634 B6R0.3 O=C(Cl)C(Cl)CCl MCULE-5571003994 [0,1,0,0,0,0|2,0,0]=3 1635 B6R0.3 O=C(O)C(=O)CBr MCULE-4768170572 [0,1,0,0,0,0|2,0,1]=4 1636 B6R0.3 O=C(O)C(=O)CCl MCULE-7853426045 [0,1,0,0,0,0|2,0,1]=4 1637 B6R0.3 O=C(O)C(=O)CF MCULE-5884987827 [0,1,0,0,0,0|2,0,1]=4 1638 B6R0.3 O=C(O)C(=O)CO MCULE-2263002631 [0,1,0,0,0,0|2,0,1]=4 1639 B6R0.3 O=C(O)C(=O)CS MCULE-7466669113 [0,1,0,0,0,0|2,0,1]=4 1640 B6R0.3 O=C(O)C(Br)CBr MCULE-9991448725 [0,1,0,0,0,0|2,0,0]=3 1641 B6R0.3 O=C(O)C(Br)CF MCULE-6577995297 [0,1,0,0,0,0|2,0,0]=3 1642 B6R0.3 O=C(O)C(Br)CO MCULE-9060407295 [0,1,0,0,0,0|2,0,0]=3 1643 B6R0.3 O=C(O)C(Cl)CCl MCULE-4757238565 [0,1,0,0,0,0|2,0,0]=3 1644 B6R0.3 O=C(O)C(Cl)CO MCULE-3671026398 [0,1,0,0,0,0|2,0,0]=3 1645 B6R0.3 O=C(O)C(F)CF MCULE-4323199927 [0,1,0,0,0,0|2,0,0]=3 1646 B6R0.3 O=C(O)C(O)CBr MCULE-2600199692 [0,1,0,0,0,0|2,0,0]=3 1647 B6R0.3 O=C(O)C(O)CCl MCULE-6346810624 [0,1,0,0,0,0|2,0,0]=3 1648 B6R0.3 O=C(O)C(O)CO MCULE-3634533503 [0,1,0,0,0,0|2,0,0]=3 1649 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-4486884639 [0,1,0,0,0,0|2,0,0]=3 1650 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-8586594526 [0,1,0,0,0,0|2,0,0]=3 1651 B6R0.3 O=C(O)[C@@H](O)CCl MCULE-4927034524 [0,1,0,0,0,0|2,0,0]=3 1652 B6R0.3 O=C(O)[C@@H](O)CO MCULE-4917119993 [0,1,0,0,0,0|2,0,0]=3 1653 B6R0.3 O=C(O)[C@@H](O)CO MCULE-7996851129 [0,1,0,0,0,0|2,0,0]=3 1654 B6R0.3 O=C(O)[C@H](Br)CO MCULE-3770944978 [0,1,0,0,0,0|2,0,0]=3 1655 B6R0.3 O=C(O)[C@H](Br)CO MCULE-6926119866 [0,1,0,0,0,0|2,0,0]=3 1656 B6R0.3 O=C(O)[C@H](O)CF MCULE-4453713074 [0,1,0,0,0,0|2,0,0]=3 1657 B6R0.3 O=C([O-])C(=O)CF MCULE-9109967389 [0,1,0,0,0,0|2,0,1]=4 1658 B6R0.3 O=C([O-])C(=O)CS MCULE-4375165973 [0,1,0,0,0,0|2,0,1]=4 1659 B6R0.3 O=C([O-])[C@@H](O)CO MCULE-4498291090 [0,1,0,0,0,0|2,0,0]=3 1660 B6R0.3 O=N(=O)C(Br)CO MCULE-2147001744 [0,1,0,0,0,0|3,0,0]=4 1661 B6R0.3 [C@@H](N)(C=C)C(=O)O MCULE-9406839633 [0,1,0,0,0,0|1,0,2]=4 1662 B6R0.3 [C@@H](N)(CN)C(=O)O MCULE-2844054083 [0,1,0,0,0,0|2,0,0]=3 1663 B6R0.3 [C@H](C)(NC)C(=O)O MCULE-3677465746 [0,1,0,0,0,0|1,0,0]=2 1664 B6R0.3 [C@H](N)(CO)C(=O)N MCULE-2792784400 [0,1,0,0,0,0|2,0,0]=3 1665 B6R0.3 [C@H](S)(CC)C(=O)O MCULE-4267293279 [0,1,0,0,0,0|1,0,0]=2 1666 B6R0.3 [SeH]C[C@H](N)C(=O)O MCULE-8205075370 [0,1,0,0,0,0|2,0,0]=3 1667 B6R0.8 C#CC(C)(C)CBr MCULE-7064498873 [0,1,0,0,0,0|2,0,1]=4 1668 B6R0.8 C#CC(C)(C)CC MCULE-7048640910 [0,1,0,0,0,0|1,0,1]=3 1669 B6R0.8 C#CC(C)(C)CO MCULE-2912434983 [0,1,0,0,0,0|2,0,1]=4 1670 B6R0.8 C#CC(C)(C)NC MCULE-8594241492 [0,1,0,0,0,0|2,0,1]=4 1671 B6R0.8 C#CC(C)(C)NC MCULE-9254800697 [0,1,0,0,0,0|2,0,1]=4 1672 B6R0.8 C#CC(C)(C)OC MCULE-7238312592 [0,1,0,0,0,0|2,0,1]=4 1673 B6R0.8 C#CC(C)(N)CC MCULE-1327940404 [0,1,0,0,0,0|1,0,1]=3 1674 B6R0.8 C#CC(C)(N)CC MCULE-2834355427 [0,1,0,0,0,0|1,0,1]=3 1675 B6R0.8 C#CC(C)(N)CC MCULE-4013726030 [0,1,0,0,0,0|1,0,1]=3 1676 B6R0.8 C#CC(C)(N)CC MCULE-4630359970 [0,1,0,0,0,0|1,0,1]=3 1677 B6R0.8 C#CC(C)(O)C=C MCULE-9590615335 [0,1,0,0,0,0|1,0,2]=4 1678 B6R0.8 C#CC(C)(O)CC MCULE-6936841705 [0,1,0,0,0,0|1,0,1]=3 1679 B6R0.8 C=CC(C)(C)CN MCULE-8097307618 [0,1,0,0,0,0|2,0,0]=3 1680 B6R0.8 C=CC(C)(C)CO MCULE-8447675743 [0,1,0,0,0,0|2,0,0]=3 1681 B6R0.8 C=CC(C)(O)CBr MCULE-8151064620 [0,1,0,0,0,0|2,0,0]=3 1682 B6R0.8 C=CC(C)(O)CC MCULE-7004958709 [0,1,0,0,0,0|1,0,0]=2 1683 B6R0.8 C=CC(C)(O)CN MCULE-2921164232 [0,1,0,0,0,0|2,0,0]=3 1684 B6R0.8 C=CC(F)(F)CO MCULE-9070059513 [0,1,0,0,0,0|3,0,0]=4 1685 B6R0.8 C=CS(=O)(=O)CC MCULE-1074829395 [0,1,0,0,0,0|3,0,0]=4 1686 B6R0.8 C=C[Si](C)(C)CCl MCULE-1738689023 [0,1,0,0,0,0|2,1,0]=4 1687 B6R0.8 C=C[Si](C)(C)OC MCULE-2954087667 [0,1,0,0,0,0|2,1,0]=4 1688 B6R0.8 CC(C)(C#N)CBr MCULE-3783365669 [0,1,0,0,0,0|2,0,1]=4 1689 B6R0.8 CC(C)(C#N)CCl MCULE-4466597930 [0,1,0,0,0,0|2,0,1]=4 1690 B6R0.8 CC(C)(C#N)CN MCULE-5152233975 [0,1,0,0,0,0|2,0,1]=4 1691 B6R0.8 CC(C)(C#N)CO MCULE-3713618417 [0,1,0,0,0,0|2,0,1]=4 1692 B6R0.8 CC(C)(C=O)CCl MCULE-4459822361 [0,1,0,0,0,0|1,0,0]=2 1693 B6R0.8 CC(C)(C=O)CF MCULE-7136604991 [0,1,0,0,0,0|1,0,0]=2 1694 B6R0.8 CC(C)(C=O)CI MCULE-4319040609 [0,1,0,0,0,0|1,0,0]=2 1695 B6R0.8 CC(C)(C=O)CO MCULE-9744921245 [0,1,0,0,0,0|1,0,0]=2 1696 B6R0.8 CC(C)(CBr)CBr MCULE-3867295521 [0,1,0,0,0,0|2,0,1]=4 1697 B6R0.8 CC(C)(CCl)CCl MCULE-4414378658 [0,1,0,0,0,0|2,0,1]=4 1698 B6R0.8 CC(C)(CN)CF MCULE-4530368386 [0,1,0,0,0,0|2,0,1]=4 1699 B6R0.8 CC(C)(CN)CF MCULE-7783060235 [0,1,0,0,0,0|2,0,1]=4 1700 B6R0.8 CC(C)(CN)CN MCULE-6969888863 [0,1,0,0,0,0|2,0,1]=4 1701 B6R0.8 CC(C)(CN)CO MCULE-5342400231 [0,1,0,0,0,0|1,0,2]=4 1702 B6R0.8 CC(C)(CO)CBr MCULE-5392401561 [0,1,0,0,0,0|1,0,2]=4 1703 B6R0.8 CC(C)(CO)CCl MCULE-4674403441 [0,1,0,0,0,0|1,0,2]=4 1704 B6R0.8 CC(C)(CO)CF MCULE-4462488929 [0,1,0,0,0,0|1,0,2]=4 1705 B6R0.8 CC(C)(CO)CO MCULE-3663555151 [0,1,0,0,0,0|1,0,2]=4 1706 B6R0.8 CC(C)(CO)CS MCULE-2478254611 [0,1,0,0,0,0|1,0,2]=4 1707 B6R0.8 CC(C)(CO)ON MCULE-7229580612 [0,1,0,0,0,0|3,0,0]=4 1708 B6R0.8 CC(C)(CO)ON MCULE-9993526575 [0,1,0,0,0,0|3,0,0]=4 1709 B6R0.8 CC(F)(CO)CO MCULE-6086305692 [0,1,0,0,0,0|1,0,2]=4 1710 B6R0.8 CC(N)(C#N)CO MCULE-2492555292 [0,1,0,0,0,0|2,0,1]=4 1711 B6R0.8 CC(N)(CO)CO MCULE-6546409175 [0,1,0,0,0,0|1,0,2]=4 1712 B6R0.8 CC(O)(CN)CO MCULE-2184919268 [0,1,0,0,0,0|1,0,2]=4 1713 B6R0.8 CC(O)(CO)CO MCULE-5281000424 [0,1,0,0,0,0|1,0,2]=4 1714 B6R0.8 CCC(Br)(Br)C=O MCULE-5893364801 [0,1,0,0,0,0|1,0,0]=2 1715 B6R0.8 CCC(C)(Br)CC MCULE-6306783726 [0,1,0,0,0,0|1,0,1]=3 1716 B6R0.8 CCC(C)(C)C#N MCULE-9978530963 [0,1,0,0,0,0|1,0,1]=3 1717 B6R0.8 CCC(C)(C)C=O MCULE-4902007320 [0,1,0,0,0,0|0,0,0]=1 1718 B6R0.8 CCC(C)(C)CC MCULE-7259470376 [0,1,0,0,0,0|1,0,1]=3 1719 B6R0.8 CCC(C)(C)CN MCULE-2321746087 [0,1,0,0,0,0|1,0,1]=3 1720 B6R0.8 CCC(C)(C)CN MCULE-9058132626 [0,1,0,0,0,0|1,0,1]=3 1721 B6R0.8 CCC(C)(C)CO MCULE-9731698451 [0,1,0,0,0,0|0,0,2]=3 1722 B6R0.8 CCC(C)(C)NC MCULE-2427210996 [0,1,0,0,0,0|2,0,0]=3 1723 B6R0.8 CCC(C)(C)NC MCULE-6316686584 [0,1,0,0,0,0|2,0,0]=3 1724 B6R0.8 CCC(C)(C)NN MCULE-5144292111 [0,1,0,0,0,0|2,0,0]=3 1725 B6R0.8 CCC(C)(C)NN MCULE-6427430833 [0,1,0,0,0,0|2,0,0]=3 1726 B6R0.8 CCC(C)(C)OC MCULE-3328037871 [0,1,0,0,0,0|2,0,0]=3 1727 B6R0.8 CCC(C)(Cl)CC MCULE-2958469449 [0,1,0,0,0,0|1,0,1]=3 1728 B6R0.8 CCC(C)(N)C#N MCULE-3668256074 [0,1,0,0,0,0|1,0,1]=3 1729 B6R0.8 CCC(C)(N)C#N MCULE-8050998496 [0,1,0,0,0,0|1,0,1]=3 1730 B6R0.8 CCC(C)(N)CC MCULE-6775882748 [0,1,0,0,0,0|1,0,1]=3 1731 B6R0.8 CCC(C)(N)CC MCULE-8120212652 [0,1,0,0,0,0|1,0,1]=3 1732 B6R0.8 CCC(C)(N)CN MCULE-3477587448 [0,1,0,0,0,0|1,0,1]=3 1733 B6R0.8 CCC(C)(N)CO MCULE-3364837123 [0,1,0,0,0,0|0,0,2]=3 1734 B6R0.8 CCC(C)(N)CO MCULE-6671299764 [0,1,0,0,0,0|0,0,2]=3 1735 B6R0.8 CCC(C)(O)C#N MCULE-9698927439 [0,1,0,0,0,0|1,0,1]=3 1736 B6R0.8 CCC(C)(O)CC MCULE-2300322554 [0,1,0,0,0,0|1,0,1]=3 1737 B6R0.8 CCC(C)(O)CN MCULE-2912898926 [0,1,0,0,0,0|1,0,1]=3 1738 B6R0.8 CCC(C)(O)CO MCULE-7272709587 [0,1,0,0,0,0|0,0,2]=3 1739 B6R0.8 CCC(F)(F)CN MCULE-5083755501 [0,1,0,0,0,0|2,0,1]=4 1740 B6R0.8 CCC(F)(F)CO MCULE-9442155245 [0,1,0,0,0,0|1,0,2]=4 1741 B6R0.8 CC[Si](C)(C)CCl MCULE-8740397646 [0,1,0,0,0,0|1,1,1]=4 1742 B6R0.8 CNC(C)(C)C#N MCULE-9915510488 [0,1,0,0,0,0|2,0,1]=4 1743 B6R0.8 CNC(C)(C)CBr MCULE-6159004014 [0,1,0,0,0,0|2,0,1]=4 1744 B6R0.8 CNC(C)(C)CBr MCULE-8678001868 [0,1,0,0,0,0|2,0,1]=4 1745 B6R0.8 CNC(C)(C)CN MCULE-8166828160 [0,1,0,0,0,0|2,0,1]=4 1746 B6R0.8 CNC(C)(C)CO MCULE-6733742999 [0,1,0,0,0,0|1,0,2]=4 1747 B6R0.8 CNC(C)(C)CO MCULE-8497514322 [0,1,0,0,0,0|1,0,2]=4 1748 B6R0.8 COC(C)(C)C#N MCULE-8347600095 [0,1,0,0,0,0|2,0,1]=4 1749 B6R0.8 COC(C)(C)CBr MCULE-2140114530 [0,1,0,0,0,0|2,0,1]=4 1750 B6R0.8 COC(C)(C)CN MCULE-3456895046 [0,1,0,0,0,0|2,0,1]=4 1751 B6R0.8 COC(C)(C)CN MCULE-4113959368 [0,1,0,0,0,0|2,0,1]=4 1752 B6R0.8 COC(C)(C)CN MCULE-7074369009 [0,1,0,0,0,0|2,0,1]=4 1753 B6R0.8 COC(C)(C)CO MCULE-2208581417 [0,1,0,0,0,0|1,0,2]=4 1754 B6R0.8 COC(C)(C)OC MCULE-2997403120 [0,1,0,0,0,0|3,0,0]=4 1755 B6R0.8 COC(C)(C)ON MCULE-9489606516 [0,1,0,0,0,0|3,0,0]=4 1756 B6R0.8 CSC(C)(C)C=O MCULE-7777472638 [0,1,0,0,0,0|1,0,0]=2 1757 B6R0.8 CSC(C)(C)CN MCULE-2872927545 [0,1,0,0,0,0|2,0,1]=4 1758 B6R0.8 CSC(C)(C)CO MCULE-7955741611 [0,1,0,0,0,0|1,0,2]=4 1759 B6R0.8 C[C@](O)(CO)CBr MCULE-3211170790 [0,1,0,0,0,0|1,0,2]=4 1760 B6R0.8 O=CC(Br)(Br)CBr MCULE-3050482544 [0,1,0,0,0,0|2,0,0]=3 1761 B6R0.8 O=CC(O)(O)C=O MCULE-5955049749 [0,1,0,0,0,0|2,0,1]=4 1762 B6R0.8 [NH3+]C(C)(C#C)CC MCULE-7386979197 [0,1,0,0,0,0|1,0,1]=3 1763 B6R0.9 C#CC(CC)CC MCULE-6184220024 [0,1,0,0,0,0|1,0,1]=3 1764 B6R0.9 C/C=C(/C=O)\CC MCULE-4811305564 [0,1,0,0,0,0|0,0,1]=2 1765 B6R0.9 C=CC(CCl)OC MCULE-7435605398 [0,1,0,0,0,0|2,0,0]=3 1766 B6R0.9 C=CC(OC)OC MCULE-7212819947 [0,1,0,0,0,0|2,0,0]=3 1767 B6R0.9 C=C[Te+](C=C)CC MCULE-1463602090 [0,1,0,0,0,0|2,0,1]=4 1768 B6R0.9 C=C[Te+](C=C)CC MCULE-4459353516 [0,1,0,0,0,0|2,0,1]=4 1769 B6R0.9 CC=C(C#N)CC MCULE-7873183675 [0,1,0,0,0,0|1,0,2]=4 1770 B6R0.9 CC=C(C=O)CC MCULE-3354209980 [0,1,0,0,0,0|0,0,1]=2 1771 B6R0.9 CC=C(CC)CC MCULE-5609717261 [0,1,0,0,0,0|1,0,1]=3 1772 B6R0.9 CCB(CC)OC MCULE-5839415433 [0,1,0,0,0,0|2,0,1]=4 1773 B6R0.9 CCC(=CO)CC MCULE-4973169590 [0,1,0,0,0,0|0,0,2]=3 1774 B6R0.9 CCC(=CO)CC MCULE-8459100577 [0,1,0,0,0,0|0,0,2]=3 1775 B6R0.9 CCC(C#N)C#N MCULE-1353864304 [0,1,0,0,0,0|1,0,2]=4 1776 B6R0.9 CCC(C#N)CC MCULE-1817171032 [0,1,0,0,0,0|1,0,1]=3 1777 B6R0.9 CCC(C#N)NC MCULE-2518843235 [0,1,0,0,0,0|1,0,1]=3 1778 B6R0.9 CCC(C#N)NC MCULE-9562458353 [0,1,0,0,0,0|1,0,1]=3 1779 B6R0.9 CCC(C=O)CC MCULE-3529464122 [0,1,0,0,0,0|0,0,0]=1 1780 B6R0.9 CCC(CBr)CBr MCULE-6164388407 [0,1,0,0,0,0|1,0,1]=3 1781 B6R0.9 CCC(CBr)OC MCULE-1656817461 [0,1,0,0,0,0|1,0,1]=3 1782 B6R0.9 CCC(CC)CBr MCULE-7035205946 [0,1,0,0,0,0|1,0,1]=3 1783 B6R0.9 CCC(CC)CC MCULE-4259310191 [0,1,0,0,0,0|1,0,1]=3 1784 B6R0.9 CCC(CC)CI MCULE-7444274747 [0,1,0,0,0,0|1,0,1]=3 1785 B6R0.9 CCC(CC)CN MCULE-2344837203 [0,1,0,0,0,0|1,0,1]=3 1786 B6R0.9 CCC(CC)CN MCULE-5753995416 [0,1,0,0,0,0|1,0,1]=3 1787 B6R0.9 CCC(CC)CO MCULE-8799293985 [0,1,0,0,0,0|0,0,2]=3 1788 B6R0.9 CCC(CC)NC MCULE-5581389070 [0,1,0,0,0,0|1,0,1]=3 1789 B6R0.9 CCC(CC)NC MCULE-9713693117 [0,1,0,0,0,0|1,0,1]=3 1790 B6R0.9 CCC(CC)NN MCULE-2238567966 [0,1,0,0,0,0|2,0,0]=3 1791 B6R0.9 CCC(CC)NN MCULE-6799511276 [0,1,0,0,0,0|2,0,0]=3 1792 B6R0.9 CCC(CC)NN MCULE-7243313185 [0,1,0,0,0,0|2,0,0]=3 1793 B6R0.9 CCC(CN)CN MCULE-8523664234 [0,1,0,0,0,0|1,0,1]=3 1794 B6R0.9 CCC(CN)CO MCULE-5933181303 [0,1,0,0,0,0|0,0,2]=3 1795 B6R0.9 CCC(CN)OC MCULE-2981477258 [0,1,0,0,0,0|1,0,1]=3 1796 B6R0.9 CCC(CN)OC MCULE-5102774189 [0,1,0,0,0,0|1,0,1]=3 1797 B6R0.9 CCC(CO)CO MCULE-5204077076 [0,1,0,0,0,0|0,0,2]=3 1798 B6R0.9 CCC(CO)NC MCULE-4151180539 [0,1,0,0,0,0|0,0,2]=3 1799 B6R0.9 CCC(CO)OC MCULE-3822452142 [0,1,0,0,0,0|0,0,2]=3 1800 B6R0.9 CCC(OC)OC MCULE-8987892974 [0,1,0,0,0,0|2,0,0]=3 1801 B6R0.9 CCN(C#N)CC MCULE-5340167535 [0,1,0,0,0,0|2,0,1]=4 1802 B6R0.9 CCN(C=O)CC MCULE-9053231156 [0,1,0,0,0,0|1,0,0]=2 1803 B6R0.9 CCN(CC)CC MCULE-1748959240 [0,1,0,0,0,0|2,0,1]=4 1804 B6R0.9 CCN(CC)CC MCULE-6692975244 [0,1,0,0,0,0|2,0,1]=4 1805 B6R0.9 CCN(CC)CC MCULE-8404374147 [0,1,0,0,0,0|2,0,1]=4 1806 B6R0.9 CCN(CC)CO MCULE-9782453115 [0,1,0,0,0,0|1,0,2]=4 1807 B6R0.9 CCN(CC)N=O MCULE-8931177297 [0,1,0,0,0,0|2,0,0]=3 1808 B6R0.9 CCP(CC)CC MCULE-9384101687 [0,1,0,0,0,0|2,0,1]=4 1809 B6R0.9 CC[BH-](CC)CC MCULE-2290572181 [0,1,0,0,0,0|2,0,1]=4 1810 B6R0.9 CC[BH-](CC)CC MCULE-8338494068 [0,1,0,0,0,0|2,0,1]=4 1811 B6R0.9 CC[C@@H](CO)NC MCULE-6281808613 [0,1,0,0,0,0|0,0,2]=3 1812 B6R0.9 CC[NH+](CC)CC MCULE-2368942907 [0,1,0,0,0,0|2,0,1]=4 1813 B6R0.9 CC[O+](CC)CC MCULE-2279228362 [0,1,0,0,0,0|2,0,1]=4 1814 B6R0.9 CC[O+](CC)CC MCULE-9717277153 [0,1,0,0,0,0|2,0,1]=4 1815 B6R0.9 CC[S+](CC)CC MCULE-1808998862 [0,1,0,0,0,0|2,0,1]=4 1816 B6R0.9 CC[S+](CC)CC MCULE-5064870708 [0,1,0,0,0,0|2,0,1]=4 1817 B6R0.9 CNC(CN)CO MCULE-7006149115 [0,1,0,0,0,0|1,0,2]=4 1818 B6R0.9 CNC(CO)CO MCULE-9323859576 [0,1,0,0,0,0|1,0,2]=4 1819 B6R0.9 COC(C#N)CBr MCULE-7382241537 [0,1,0,0,0,0|2,0,1]=4 1820 B6R0.9 COC(C=O)OC MCULE-7354932286 [0,1,0,0,0,0|1,0,0]=2 1821 B6R0.9 COC(CBr)OC MCULE-2277122528 [0,1,0,0,0,0|2,0,1]=4 1822 B6R0.9 COC(CCl)OC MCULE-2320305704 [0,1,0,0,0,0|2,0,1]=4 1823 B6R0.9 COC(CN)CN MCULE-3870266689 [0,1,0,0,0,0|2,0,1]=4 1824 B6R0.9 COC(CN)CO MCULE-2486586573 [0,1,0,0,0,0|1,0,2]=4 1825 B6R0.9 COC(CN)CO MCULE-3908535917 [0,1,0,0,0,0|1,0,2]=4 1826 B6R0.9 COC(CN)OC MCULE-1003844122 [0,1,0,0,0,0|2,0,1]=4 1827 B6R0.9 COC(CO)CBr MCULE-4957036064 [0,1,0,0,0,0|1,0,2]=4 1828 B6R0.9 COC(CO)CO MCULE-4778743592 [0,1,0,0,0,0|1,0,2]=4 1829 B6R0.9 COC(CO)OC MCULE-1980066235 [0,1,0,0,0,0|1,0,2]=4 1830 B6R0.9 COC(CS)OC MCULE-2408457054 [0,1,0,0,0,0|1,1,1]=4 1831 B6R0.9 COC(OC)OC MCULE-3414819011 [0,1,0,0,0,0|3,0,0]=4 1832 B6R0.9 CO[C@H](CN)CO MCULE-6065862053 [0,1,0,0,0,0|1,0,2]=4 1833 B6R0.9 CSC(SC)SC MCULE-6921370996 [0,1,0,0,0,0|3,0,0]=4 1834 B6R0.9 O=CC(C=O)C=O MCULE-4159404366 [0,1,0,0,0,0|1,0,2]=4 1835 B6R0.9 OCC(CBr)CBr MCULE-4153091765 [0,1,0,0,0,0|1,0,2]=4 1836 B6R0.9 OCC(CO)CO MCULE-7640074192 [0,1,0,0,0,0|1,0,2]=4 1837 B6R0.9 [SiH](CC)(CC)CC MCULE-6563417997 [0,1,0,0,0,0|1,1,1]=4 1838 B6R1.2 BrC1=CCCC1 MCULE-1008379150 [0,0,0,1,0,0|2,0,1]=4 1839 B6R1.2 BrC1=COCC1 MCULE-8057569313 [0,0,0,1,0,0|1,0,2]=4 1840 B6R1.2 BrC1CCCC1 MCULE-9383923023 [0,0,0,1,0,0|2,0,1]=4 1841 B6R1.2 BrC1CCNC1 MCULE-4841543716 [0,0,0,1,0,0|2,0,1]=4 1842 B6R1.2 BrC1CCNC1 MCULE-4954951045 [0,0,0,1,0,0|2,0,1]=4 1843 B6R1.2 BrC1CCNC1 MCULE-7176123276 [0,0,0,1,0,0|2,0,1]=4 1844 B6R1.2 BrC1CCOC1 MCULE-7037144528 [0,0,0,1,0,0|1,0,2]=4 1845 B6R1.2 BrC1CCSC1 MCULE-6663716947 [0,0,0,1,0,0|1,1,1]=4 1846 B6R1.2 Br[C@@H]1CCNC1 MCULE-1681494552 [0,0,0,1,0,0|2,0,1]=4 1847 B6R1.2 Br[C@@H]1CCNC1 MCULE-1764777534 [0,0,0,1,0,0|2,0,1]=4 1848 B6R1.2 Br[C@@H]1CCNC1 MCULE-2455801012 [0,0,0,1,0,0|2,0,1]=4 1849 B6R1.2 Br[C@@H]1CCNC1 MCULE-8945784733 [0,0,0,1,0,0|2,0,1]=4 1850 B6R1.2 Br[C@H]1CCNC1 MCULE-5014033994 [0,0,0,1,0,0|2,0,1]=4 1851 B6R1.2 Br[C@H]1CCNC1 MCULE-5217617272 [0,0,0,1,0,0|2,0,1]=4 1852 B6R1.2 Br[C@H]1CCNC1 MCULE-8899453530 [0,0,0,1,0,0|2,0,1]=4 1853 B6R1.2 Br[C@H]1CCNC1 MCULE-9461718131 [0,0,0,1,0,0|2,0,1]=4 1854 B6R1.2 Br[C@H]1CCOC1 MCULE-7554969036 [0,0,0,1,0,0|1,0,2]=4 1855 B6R1.2 C1(CCNC1)C MCULE-2542646403 [0,0,0,1,0,0|1,0,1]=3 1856 B6R1.2 C1(CCNC1)C MCULE-4538835016 [0,0,0,1,0,0|1,0,1]=3 1857 B6R1.2 C1(CCNC1)F MCULE-2259566125 [0,0,0,1,0,0|2,0,1]=4 1858 B6R1.2 C1(CCNC1)F MCULE-3325393466 [0,0,0,1,0,0|2,0,1]=4 1859 B6R1.2 C1(CCNC1)O MCULE-2676539647 [0,0,0,1,0,0|2,0,1]=4 1860 B6R1.2 C1(CCNC1)O MCULE-4228466615 [0,0,0,1,0,0|2,0,1]=4 1861 B6R1.2 C1(CCOC1)I MCULE-4877322062 [0,0,0,1,0,0|1,0,2]=4 1862 B6R1.2 C1(CCOC1)N MCULE-2221007915 [0,0,0,1,0,0|1,0,2]=4 1863 B6R1.2 C1(CCOC1)N MCULE-3972931474 [0,0,0,1,0,0|1,0,2]=4 1864 B6R1.2 C1(CCOC1)O MCULE-3631749536 [0,0,0,1,0,0|1,0,2]=4 1865 B6R1.2 CC1=CC=CC1 MCULE-3765599626 [0,0,0,1,0,0|1,0,2]=4 1866 B6R1.2 CC1=CCCC1 MCULE-8508688474 [0,0,0,1,0,0|1,0,1]=3 1867 B6R1.2 CC1=CCCO1 MCULE-7276659214 [0,0,0,1,0,0|2,0,1]=4 1868 B6R1.2 CC1=CCNC1 MCULE-5892113847 [0,0,0,1,0,0|2,0,1]=4 1869 B6R1.2 CC1=CCNC1 MCULE-9225220351 [0,0,0,1,0,0|2,0,1]=4 1870 B6R1.2 CC1=NCCC1 MCULE-5009170423 [0,0,0,1,0,0|2,0,1]=4 1871 B6R1.2 CC1=NNCC1 MCULE-1758510182 [0,0,0,1,0,0|2,0,1]=4 1872 B6R1.2 CC1C=CCC1 MCULE-1638534048 [0,0,0,1,0,0|1,0,0]=2 1873 B6R1.2 CC1CCCC1 MCULE-4702116068 [0,0,0,1,0,0|1,0,1]=3 1874 B6R1.2 CC1CCCN1 MCULE-4853624560 [0,0,0,1,0,0|2,0,0]=3 1875 B6R1.2 CC1CCCN1 MCULE-5939948024 [0,0,0,1,0,0|2,0,0]=3 1876 B6R1.2 CC1CCCN1 MCULE-6020011445 [0,0,0,1,0,0|2,0,0]=3 1877 B6R1.2 CC1CCCN1 MCULE-7855346849 [0,0,0,1,0,0|2,0,0]=3 1878 B6R1.2 CC1CCCO1 MCULE-2526138687 [0,0,0,1,0,0|2,0,0]=3 1879 B6R1.2 CC1CCCS1 MCULE-8372499972 [0,0,0,1,0,0|2,0,0]=3 1880 B6R1.2 CC1CCNC1 MCULE-6494098173 [0,0,0,1,0,0|1,0,1]=3 1881 B6R1.2 CC1CCNC1 MCULE-8260364514 [0,0,0,1,0,0|1,0,1]=3 1882 B6R1.2 CC1CCOC1 MCULE-6424683416 [0,0,0,1,0,0|0,0,2]=3 1883 B6R1.2 CC1CCSC1 MCULE-7445511318 [0,0,0,1,0,0|0,1,1]=3 1884 B6R1.2 CC1CNOC1 MCULE-1071803164 [0,0,0,1,0,0|1,0,2]=4 1885 B6R1.2 CC1CNOC1 MCULE-9455391174 [0,0,0,1,0,0|1,0,2]=4 1886 B6R1.2 CC1COCO1 MCULE-9332316279 [0,0,0,1,0,0|1,0,2]=4 1887 B6R1.2 CC1NCCS1 MCULE-8457840375 [0,0,0,1,0,0|3,0,0]=4 1888 B6R1.2 CC1OCCO1 MCULE-2943809591 [0,0,0,1,0,0|3,0,0]=4 1889 B6R1.2 CC1SCCS1 MCULE-5011453273 [0,0,0,1,0,0|3,0,0]=4 1890 B6R1.2 CN1CCCC1 MCULE-5387702231 [0,0,0,1,0,0|2,0,1]=4 1891 B6R1.2 CN1CCNC1 MCULE-8059197564 [0,0,0,1,0,0|2,0,1]=4 1892 B6R1.2 CN1CCNC1 MCULE-9818601515 [0,0,0,1,0,0|2,0,1]=4 1893 B6R1.2 CN1CCOC1 MCULE-5504672404 [0,0,0,1,0,0|1,0,2]=4 1894 B6R1.2 C[C@@H]1CCCN1 MCULE-1038329474 [0,0,0,1,0,0|2,0,0]=3 1895 B6R1.2 C[C@@H]1CCCN1 MCULE-1829999308 [0,0,0,1,0,0|2,0,0]=3 1896 B6R1.2 C[C@@H]1CCCN1 MCULE-8644278041 [0,0,0,1,0,0|2,0,0]=3 1897 B6R1.2 C[C@@H]1CCCN1 MCULE-9243990647 [0,0,0,1,0,0|2,0,0]=3 1898 B6R1.2 C[C@@H]1CCNC1 MCULE-5345577321 [0,0,0,1,0,0|1,0,1]=3 1899 B6R1.2 C[C@@H]1CCNC1 MCULE-5749945455 [0,0,0,1,0,0|1,0,1]=3 1900 B6R1.2 C[C@@H]1CCNC1 MCULE-8967606188 [0,0,0,1,0,0|1,0,1]=3 1901 B6R1.2 C[C@@H]1CCNC1 MCULE-8996756392 [0,0,0,1,0,0|1,0,1]=3 1902 B6R1.2 C[C@H]1CCCN1 MCULE-2078024663 [0,0,0,1,0,0|2,0,0]=3 1903 B6R1.2 C[C@H]1CCCN1 MCULE-3113877345 [0,0,0,1,0,0|2,0,0]=3 1904 B6R1.2 C[C@H]1CCCN1 MCULE-3426869473 [0,0,0,1,0,0|2,0,0]=3 1905 B6R1.2 C[C@H]1CCCN1 MCULE-5093266679 [0,0,0,1,0,0|2,0,0]=3 1906 B6R1.2 C[C@H]1CCNC1 MCULE-1866792897 [0,0,0,1,0,0|1,0,1]=3 1907 B6R1.2 C[C@H]1CCNC1 MCULE-3817248567 [0,0,0,1,0,0|1,0,1]=3 1908 B6R1.2 C[C@H]1CCNC1 MCULE-7938243226 [0,0,0,1,0,0|1,0,1]=3 1909 B6R1.2 C[C@H]1CCNC1 MCULE-8895875203 [0,0,0,1,0,0|1,0,1]=3 1910 B6R1.2 C[S+]1CCCC1 MCULE-6294888335 [0,0,0,1,0,0|2,0,1]=4 1911 B6R1.2 C[S+]1CCCC1 MCULE-8432227262 [0,0,0,1,0,0|2,0,1]=4 1912 B6R1.2 ClC1=CCCC1 MCULE-7680993065 [0,0,0,1,0,0|2,0,1]=4 1913 B6R1.2 ClC1CCCC1 MCULE-3285928655 [0,0,0,1,0,0|2,0,1]=4 1914 B6R1.2 ClC1CCNC1 MCULE-5659561118 [0,0,0,1,0,0|2,0,1]=4 1915 B6R1.2 ClC1CCNC1 MCULE-6180477494 [0,0,0,1,0,0|2,0,1]=4 1916 B6R1.2 ClC1CCNC1 MCULE-6964859207 [0,0,0,1,0,0|2,0,1]=4 1917 B6R1.2 ClC1CCNC1 MCULE-8389509440 [0,0,0,1,0,0|2,0,1]=4 1918 B6R1.2 ClC1CCOC1 MCULE-6903762147 [0,0,0,1,0,0|1,0,2]=4 1919 B6R1.2 Cl[C@@H]1CCNC1 MCULE-3218152098 [0,0,0,1,0,0|2,0,1]=4 1920 B6R1.2 Cl[C@@H]1CCNC1 MCULE-6728755007 [0,0,0,1,0,0|2,0,1]=4 1921 B6R1.2 Cl[C@@H]1CCNC1 MCULE-7223308304 [0,0,0,1,0,0|2,0,1]=4 1922 B6R1.2 Cl[C@@H]1CCNC1 MCULE-9699335522 [0,0,0,1,0,0|2,0,1]=4 1923 B6R1.2 Cl[C@H]1CCNC1 MCULE-1696981588 [0,0,0,1,0,0|2,0,1]=4 1924 B6R1.2 Cl[C@H]1CCNC1 MCULE-4535592624 [0,0,0,1,0,0|2,0,1]=4 1925 B6R1.2 Cl[C@H]1CCNC1 MCULE-4850151938 [0,0,0,1,0,0|2,0,1]=4 1926 B6R1.2 Cl[C@H]1CCNC1 MCULE-8947782807 [0,0,0,1,0,0|2,0,1]=4 1927 B6R1.2 FC1CCCC1 MCULE-1416016970 [0,0,0,1,0,0|2,0,1]=4 1928 B6R1.2 FC1CCNC1 MCULE-3601135445 [0,0,0,1,0,0|2,0,1]=4 1929 B6R1.2 FC1CCNC1 MCULE-8578750940 [0,0,0,1,0,0|2,0,1]=4 1930 B6R1.2 F[C@@H]1CCNC1 MCULE-4408739710 [0,0,0,1,0,0|2,0,1]=4 1931 B6R1.2 F[C@@H]1CCNC1 MCULE-5678498844 [0,0,0,1,0,0|2,0,1]=4 1932 B6R1.2 F[C@@H]1CCNC1 MCULE-5679054116 [0,0,0,1,0,0|2,0,1]=4 1933 B6R1.2 F[C@@H]1CCNC1 MCULE-7029204180 [0,0,0,1,0,0|2,0,1]=4 1934 B6R1.2 F[C@H]1CCCN1 MCULE-8612757365 [0,0,0,1,0,0|3,0,0]=4 1935 B6R1.2 F[C@H]1CCNC1 MCULE-2854402872 [0,0,0,1,0,0|2,0,1]=4 1936 B6R1.2 F[C@H]1CCNC1 MCULE-4493640982 [0,0,0,1,0,0|2,0,1]=4 1937 B6R1.2 F[C@H]1CCNC1 MCULE-7441383471 [0,0,0,1,0,0|2,0,1]=4 1938 B6R1.2 F[C@H]1CCNC1 MCULE-7946601643 [0,0,0,1,0,0|2,0,1]=4 1939 B6R1.2 IC1=CCCC1 MCULE-5953451970 [0,0,0,1,0,0|2,0,1]=4 1940 B6R1.2 IC1=COCC1 MCULE-3076361502 [0,0,0,1,0,0|1,0,2]=4 1941 B6R1.2 IC1CCCC1 MCULE-2705379744 [0,0,0,1,0,0|2,0,1]=4 1942 B6R1.2 IC1CCNC1 MCULE-3058541551 [0,0,0,1,0,0|2,0,1]=4 1943 B6R1.2 IC1CCNC1 MCULE-5326267139 [0,0,0,1,0,0|2,0,1]=4 1944 B6R1.2 IC1CCOC1 MCULE-1379775972 [0,0,0,1,0,0|1,0,2]=4 1945 B6R1.2 I[C@@H]1CCNC1 MCULE-3800433724 [0,0,0,1,0,0|2,0,1]=4 1946 B6R1.2 I[C@@H]1CCNC1 MCULE-3857825133 [0,0,0,1,0,0|2,0,1]=4 1947 B6R1.2 I[C@@H]1CCNC1 MCULE-7781267462 [0,0,0,1,0,0|2,0,1]=4 1948 B6R1.2 I[C@@H]1CCNC1 MCULE-7979843810 [0,0,0,1,0,0|2,0,1]=4 1949 B6R1.2 I[C@@H]1CCOC1 MCULE-2036157502 [0,0,0,1,0,0|1,0,2]=4 1950 B6R1.2 I[C@@H]1CCOC1 MCULE-4800752659 [0,0,0,1,0,0|1,0,2]=4 1951 B6R1.2 I[C@H]1CCNC1 MCULE-1218289403 [0,0,0,1,0,0|2,0,1]=4 1952 B6R1.2 I[C@H]1CCNC1 MCULE-7469922084 [0,0,0,1,0,0|2,0,1]=4 1953 B6R1.2 I[C@H]1CCOC1 MCULE-4242860607 [0,0,0,1,0,0|1,0,2]=4 1954 B6R1.2 I[C@H]1CCOC1 MCULE-7095404975 [0,0,0,1,0,0|1,0,2]=4 1955 B6R1.2 NC1C=CCC1 MCULE-2537724380 [0,0,0,1,0,0|2,0,0]=3 1956 B6R1.2 NC1C=CCC1 MCULE-5017993489 [0,0,0,1,0,0|2,0,0]=3 1957 B6R1.2 NC1CCCC1 MCULE-2292038009 [0,0,0,1,0,0|2,0,1]=4 1958 B6R1.2 NC1CCNC1 MCULE-2237528072 [0,0,0,1,0,0|2,0,1]=4 1959 B6R1.2 NC1CCNC1 MCULE-5167920547 [0,0,0,1,0,0|2,0,1]=4 1960 B6R1.2 NC1CCNC1 MCULE-5837785719 [0,0,0,1,0,0|2,0,1]=4 1961 B6R1.2 NC1CCOC1 MCULE-1276945018 [0,0,0,1,0,0|1,0,2]=4 1962 B6R1.2 NC1CCOC1 MCULE-8146259495 [0,0,0,1,0,0|1,0,2]=4 1963 B6R1.2 NC1CCSC1 MCULE-8972229387 [0,0,0,1,0,0|1,1,1]=4 1964 B6R1.2 NC1CCSC1 MCULE-9186640582 [0,0,0,1,0,0|1,1,1]=4 1965 B6R1.2 N[C@@H]1CCNC1 MCULE-6043697974 [0,0,0,1,0,0|2,0,1]=4 1966 B6R1.2 N[C@@H]1CCNC1 MCULE-8912264932 [0,0,0,1,0,0|2,0,1]=4 1967 B6R1.2 N[C@@H]1CCNC1 MCULE-9183647019 [0,0,0,1,0,0|2,0,1]=4 1968 B6R1.2 N[C@@H]1CCNC1 MCULE-9608760183 [0,0,0,1,0,0|2,0,1]=4 1969 B6R1.2 N[C@@H]1CCOC1 MCULE-1100136080 [0,0,0,1,0,0|1,0,2]=4 1970 B6R1.2 N[C@@H]1CCOC1 MCULE-4493278911 [0,0,0,1,0,0|1,0,2]=4 1971 B6R1.2 N[C@@H]1CCOC1 MCULE-5574536510 [0,0,0,1,0,0|1,0,2]=4 1972 B6R1.2 N[C@@H]1CCOC1 MCULE-7204677203 [0,0,0,1,0,0|1,0,2]=4 1973 B6R1.2 N[C@H]1CCNC1 MCULE-3573455998 [0,0,0,1,0,0|2,0,1]=4 1974 B6R1.2 N[C@H]1CCNC1 MCULE-3988158945 [0,0,0,1,0,0|2,0,1]=4 1975 B6R1.2 N[C@H]1CCNC1 MCULE-4526890579 [0,0,0,1,0,0|2,0,1]=4 1976 B6R1.2 N[C@H]1CCNC1 MCULE-8548728927 [0,0,0,1,0,0|2,0,1]=4 1977 B6R1.2 N[C@H]1CCOC1 MCULE-2273771439 [0,0,0,1,0,0|1,0,2]=4 1978 B6R1.2 N[C@H]1CCOC1 MCULE-3567904137 [0,0,0,1,0,0|1,0,2]=4 1979 B6R1.2 N[C@H]1CCOC1 MCULE-5268616156 [0,0,0,1,0,0|1,0,2]=4 1980 B6R1.2 N[C@H]1CCOC1 MCULE-7351975857 [0,0,0,1,0,0|1,0,2]=4 1981 B6R1.2 O=C1C=CCC1 MCULE-1844779047 [0,0,0,1,0,0|2,0,1]=4 1982 B6R1.2 OC1C=CCC1 MCULE-3857764876 [0,0,0,1,0,0|2,0,0]=3 1983 B6R1.2 OC1C=CCO1 MCULE-4636930669 [0,0,0,1,0,0|3,0,0]=4 1984 B6R1.2 OC1CCCC1 MCULE-1758440264 [0,0,0,1,0,0|2,0,1]=4 1985 B6R1.2 OC1CCCN1 MCULE-4787168972 [0,0,0,1,0,0|3,0,0]=4 1986 B6R1.2 OC1CCCO1 MCULE-9632627344 [0,0,0,1,0,0|3,0,0]=4 1987 B6R1.2 OC1CCNC1 MCULE-4307402606 [0,0,0,1,0,0|2,0,1]=4 1988 B6R1.2 OC1CCNC1 MCULE-6745480350 [0,0,0,1,0,0|2,0,1]=4 1989 B6R1.2 OC1CCOC1 MCULE-4469581028 [0,0,0,1,0,0|1,0,2]=4 1990 B6R1.2 OC1CCSC1 MCULE-9796808599 [0,0,0,1,0,0|1,1,1]=4 1991 B6R1.2 O[C@@H]1CCNC1 MCULE-8116497337 [0,0,0,1,0,0|2,0,1]=4 1992 B6R1.2 O[C@@H]1CCNC1 MCULE-8578068948 [0,0,0,1,0,0|2,0,1]=4 1993 B6R1.2 O[C@@H]1CCNC1 MCULE-9094582248 [0,0,0,1,0,0|2,0,1]=4 1994 B6R1.2 O[C@@H]1CCNC1 MCULE-9933593352 [0,0,0,1,0,0|2,0,1]=4 1995 B6R1.2 O[C@@H]1CCOC1 MCULE-7739141732 [0,0,0,1,0,0|1,0,2]=4 1996 B6R1.2 O[C@@H]1CCOC1 MCULE-8344812226 [0,0,0,1,0,0|1,0,2]=4 1997 B6R1.2 O[C@@H]1CCOC1 MCULE-9098074990 [0,0,0,1,0,0|1,0,2]=4 1998 B6R1.2 O[C@@H]1CCSC1 MCULE-3532754705 [0,0,0,1,0,0|1,1,1]=4 1999 B6R1.2 O[C@@H]1CCSC1 MCULE-5800407146 [0,0,0,1,0,0|1,1,1]=4 2000 B6R1.2 O[C@H]1CCNC1 MCULE-1100098088 [0,0,0,1,0,0|2,0,1]=4 2001 B6R1.2 O[C@H]1CCNC1 MCULE-3493644065 [0,0,0,1,0,0|2,0,1]=4 2002 B6R1.2 O[C@H]1CCNC1 MCULE-3778918259 [0,0,0,1,0,0|2,0,1]=4 2003 B6R1.2 O[C@H]1CCNC1 MCULE-4680162054 [0,0,0,1,0,0|2,0,1]=4 2004 B6R1.2 O[C@H]1CCOC1 MCULE-8518846297 [0,0,0,1,0,0|1,0,2]=4 2005 B6R1.2 O[C@H]1CCOC1 MCULE-9544747995 [0,0,0,1,0,0|1,0,2]=4 2006 B6R1.2 SC1CCCC1 MCULE-5932400506 [0,0,0,1,0,0|2,0,1]=4 2007 B6R1.2 SC1CCOC1 MCULE-9247906418 [0,0,0,1,0,0|1,0,2]=4 2008 B6R1.2 SC1CCSC1 MCULE-5955380477 [0,0,0,1,0,0|1,1,1]=4 2009 B6R1.2 [NH3+]C1CC[NH2+]C1 MCULE-3374468196 [0,0,0,1,0,0|2,0,1]=4 2010 B6R1.4 CC1CCC1=O MCULE-4548181715 [0,0,0,1,0,0|0,0,0]=1 2011 B6R1.4 CC1CCC1N MCULE-9634057678 [0,0,0,1,0,0|1,0,1]=3 2012 B6R1.4 CC1CCC1N MCULE-9849489304 [0,0,0,1,0,0|1,0,1]=3 2013 B6R1.4 CC1CCC1O MCULE-3852133104 [0,0,0,1,0,0|0,0,2]=3 2014 B6R1.4 CC1CNC1=O MCULE-5523309752 [0,0,0,1,0,0|1,0,0]=2 2015 B6R1.4 CC1CNC1C MCULE-6217110869 [0,0,0,1,0,0|1,0,1]=3 2016 B6R1.4 CC1CNC1C MCULE-8966220604 [0,0,0,1,0,0|1,0,1]=3 2017 B6R1.4 CC1COC1=O MCULE-9711165188 [0,0,0,1,0,0|1,0,0]=2 2018 B6R1.4 CC1NCC1F MCULE-2205876595 [0,0,0,1,0,0|2,0,1]=4 2019 B6R1.4 CC1NCC1F MCULE-3575637458 [0,0,0,1,0,0|2,0,1]=4 2020 B6R1.4 CC1NCC1O MCULE-6512695808 [0,0,0,1,0,0|1,0,2]=4 2021 B6R1.4 CC1NCC1O MCULE-8357296054 [0,0,0,1,0,0|1,0,2]=4 2022 B6R1.4 CC1OCC1=O MCULE-7718609686 [0,0,0,1,0,0|1,0,0]=2 2023 B6R1.4 CC1OCC1O MCULE-1893283492 [0,0,0,1,0,0|1,0,2]=4 2024 B6R1.4 C[C@@H]1CC[C@@H]1N MCULE-9803413081 [0,0,0,1,0,0|1,0,1]=3 2025 B6R1.4 C[C@@H]1CC[C@H]1N MCULE-3888655890 [0,0,0,1,0,0|1,0,1]=3 2026 B6R1.4 C[C@@H]1CN[C@@H]1C MCULE-5099590573 [0,0,0,1,0,0|1,0,1]=3 2027 B6R1.4 C[C@@H]1CN[C@@H]1C MCULE-6754257002 [0,0,0,1,0,0|1,0,1]=3 2028 B6R1.4 C[C@@H]1CN[C@@H]1C MCULE-7084262632 [0,0,0,1,0,0|1,0,1]=3 2029 B6R1.4 C[C@@H]1CN[C@@H]1C MCULE-9147724667 [0,0,0,1,0,0|1,0,1]=3 2030 B6R1.4 C[C@@H]1NC[C@@H]1F MCULE-2104999017 [0,0,0,1,0,0|2,0,1]=4 2031 B6R1.4 C[C@@H]1NC[C@@H]1F MCULE-9859591204 [0,0,0,1,0,0|2,0,1]=4 2032 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-1528414534 [0,0,0,1,0,0|1,0,2]=4 2033 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-2910306067 [0,0,0,1,0,0|1,0,2]=4 2034 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-3197698089 [0,0,0,1,0,0|1,0,2]=4 2035 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-3295326997 [0,0,0,1,0,0|1,0,2]=4 2036 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-5640695802 [0,0,0,1,0,0|1,0,2]=4 2037 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-7598216076 [0,0,0,1,0,0|1,0,2]=4 2038 B6R1.4 C[C@@H]1NC[C@H]1F MCULE-2384338566 [0,0,0,1,0,0|2,0,1]=4 2039 B6R1.4 C[C@@H]1NC[C@H]1F MCULE-3761027062 [0,0,0,1,0,0|2,0,1]=4 2040 B6R1.4 C[C@@H]1NC[C@H]1F MCULE-7625337051 [0,0,0,1,0,0|2,0,1]=4 2041 B6R1.4 C[C@@H]1NC[C@H]1F MCULE-8482078532 [0,0,0,1,0,0|2,0,1]=4 2042 B6R1.4 C[C@@H]1NC[C@H]1O MCULE-3152396704 [0,0,0,1,0,0|1,0,2]=4 2043 B6R1.4 C[C@@H]1NC[C@H]1O MCULE-3248209918 [0,0,0,1,0,0|1,0,2]=4 2044 B6R1.4 C[C@@H]1NC[C@H]1O MCULE-3575939824 [0,0,0,1,0,0|1,0,2]=4 2045 B6R1.4 C[C@@H]1NC[C@H]1O MCULE-4120662394 [0,0,0,1,0,0|1,0,2]=4 2046 B6R1.4 C[C@H]1CC[C@@H]1N MCULE-1445146965 [0,0,0,1,0,0|1,0,1]=3 2047 B6R1.4 C[C@H]1CC[C@H]1N MCULE-3329522369 [0,0,0,1,0,0|1,0,1]=3 2048 B6R1.4 C[C@H]1NC[C@@H]1F MCULE-6266484815 [0,0,0,1,0,0|2,0,1]=4 2049 B6R1.4 C[C@H]1NC[C@@H]1F MCULE-9525975864 [0,0,0,1,0,0|2,0,1]=4 2050 B6R1.4 C[C@H]1NC[C@@H]1O MCULE-3510002118 [0,0,0,1,0,0|1,0,2]=4 2051 B6R1.4 C[C@H]1NC[C@@H]1O MCULE-6901722671 [0,0,0,1,0,0|1,0,2]=4 2052 B6R1.4 C[C@H]1NC[C@H]1F MCULE-6303998999 [0,0,0,1,0,0|2,0,1]=4 2053 B6R1.4 C[C@H]1NC[C@H]1F MCULE-8897044344 [0,0,0,1,0,0|2,0,1]=4 2054 B6R1.4 C[C@H]1NC[C@H]1O MCULE-1733557375 [0,0,0,1,0,0|1,0,2]=4 2055 B6R1.4 C[C@H]1NC[C@H]1O MCULE-3026150373 [0,0,0,1,0,0|1,0,2]=4 2056 B6R1.4 C[C@H]1NC[C@H]1O MCULE-7386387747 [0,0,0,1,0,0|1,0,2]=4 2057 B6R1.4 C[C@H]1NC[C@H]1O MCULE-7405032693 [0,0,0,1,0,0|1,0,2]=4 2058 B6R1.4 NC1CCC1=O MCULE-3868209809 [0,0,0,1,0,0|1,0,0]=2 2059 B6R1.4 NC1CCC1=O MCULE-9741389143 [0,0,0,1,0,0|1,0,0]=2 2060 B6R1.4 NC1CCC1F MCULE-1403984623 [0,0,0,1,0,0|2,0,1]=4 2061 B6R1.4 NC1CCC1F MCULE-8216841286 [0,0,0,1,0,0|2,0,1]=4 2062 B6R1.4 NC1CCC1N MCULE-6052332328 [0,0,0,1,0,0|2,0,1]=4 2063 B6R1.4 NC1CCC1O MCULE-4636397534 [0,0,0,1,0,0|1,0,2]=4 2064 B6R1.4 NC1CCC1O MCULE-7148132261 [0,0,0,1,0,0|1,0,2]=4 2065 B6R1.4 NC1CNC1=O MCULE-2761616663 [0,0,0,1,0,0|2,0,0]=3 2066 B6R1.4 NC1CNC1=O MCULE-3021306383 [0,0,0,1,0,0|2,0,0]=3 2067 B6R1.4 NC1CNC1=O MCULE-3943057121 [0,0,0,1,0,0|2,0,0]=3 2068 B6R1.4 NC1COC1=O MCULE-6998565452 [0,0,0,1,0,0|2,0,0]=3 2069 B6R1.4 NN1CCC1=O MCULE-6200802911 [0,0,0,1,0,0|2,0,0]=3 2070 B6R1.4 NN1CCC1=O MCULE-8249778821 [0,0,0,1,0,0|2,0,0]=3 2071 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-1054283097 [0,0,0,1,0,0|1,0,2]=4 2072 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-3905992171 [0,0,0,1,0,0|1,0,2]=4 2073 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-6111990015 [0,0,0,1,0,0|1,0,2]=4 2074 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-9101755956 [0,0,0,1,0,0|1,0,2]=4 2075 B6R1.4 N[C@@H]1CC[C@H]1N MCULE-6204977772 [0,0,0,1,0,0|2,0,1]=4 2076 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-1883601377 [0,0,0,1,0,0|1,0,2]=4 2077 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-6045787726 [0,0,0,1,0,0|1,0,2]=4 2078 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-7120290402 [0,0,0,1,0,0|1,0,2]=4 2079 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-8603369729 [0,0,0,1,0,0|1,0,2]=4 2080 B6R1.4 N[C@@H]1CNC1=O MCULE-3645662662 [0,0,0,1,0,0|2,0,0]=3 2081 B6R1.4 N[C@@H]1CNC1=O MCULE-4399212271 [0,0,0,1,0,0|2,0,0]=3 2082 B6R1.4 N[C@@H]1CNC1=O MCULE-6332076219 [0,0,0,1,0,0|2,0,0]=3 2083 B6R1.4 N[C@@H]1CNC1=O MCULE-6365012530 [0,0,0,1,0,0|2,0,0]=3 2084 B6R1.4 N[C@@H]1COC1=O MCULE-8080548213 [0,0,0,1,0,0|2,0,0]=3 2085 B6R1.4 N[C@@H]1COC1=O MCULE-9370092691 [0,0,0,1,0,0|2,0,0]=3 2086 B6R1.4 N[C@H]1CC[C@@H]1N MCULE-3551063683 [0,0,0,1,0,0|2,0,1]=4 2087 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-1761694918 [0,0,0,1,0,0|1,0,2]=4 2088 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-2828590958 [0,0,0,1,0,0|1,0,2]=4 2089 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-3261752057 [0,0,0,1,0,0|1,0,2]=4 2090 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-7711512049 [0,0,0,1,0,0|1,0,2]=4 2091 B6R1.4 N[C@H]1CC[C@H]1N MCULE-2823061893 [0,0,0,1,0,0|2,0,1]=4 2092 B6R1.4 N[C@H]1CC[C@H]1N MCULE-6752412872 [0,0,0,1,0,0|2,0,1]=4 2093 B6R1.4 N[C@H]1CC[C@H]1O MCULE-3204268809 [0,0,0,1,0,0|1,0,2]=4 2094 B6R1.4 N[C@H]1CC[C@H]1O MCULE-4184135738 [0,0,0,1,0,0|1,0,2]=4 2095 B6R1.4 N[C@H]1CNC1=O MCULE-2792436534 [0,0,0,1,0,0|2,0,0]=3 2096 B6R1.4 N[C@H]1CNC1=O MCULE-6881316562 [0,0,0,1,0,0|2,0,0]=3 2097 B6R1.4 N[C@H]1CNC1=O MCULE-8864053661 [0,0,0,1,0,0|2,0,0]=3 2098 B6R1.4 N[C@H]1CNC1=O MCULE-9014449253 [0,0,0,1,0,0|2,0,0]=3 2099 B6R1.4 N[C@H]1COC1=O MCULE-4812631526 [0,0,0,1,0,0|2,0,0]=3 2100 B6R1.4 O=C1CCC1Br MCULE-1088592133 [0,0,0,1,0,0|1,0,0]=2 2101 B6R1.4 O=C1CCC1F MCULE-6197375881 [0,0,0,1,0,0|1,0,0]=2 2102 B6R1.4 O=C1CCC1O MCULE-1248327203 [0,0,0,1,0,0|1,0,0]=2 2103 B6R1.4 O=C1CC[C@@H]1Br MCULE-3455449754 [0,0,0,1,0,0|1,0,0]=2 2104 B6R1.4 OC1CCC1O MCULE-3286787157 [0,0,0,1,0,0|1,0,2]=4 2105 B6R1.4 O[C@@H]1CC[C@H]1O MCULE-5060593050 [0,0,0,1,0,0|1,0,2]=4 2106 B6R1.4 O[C@@H]1CC[C@H]1O MCULE-6357622033 [0,0,0,1,0,0|1,0,2]=4 2107 B6R1.4 O[C@H]1CC[C@H]1O MCULE-7964152901 [0,0,0,1,0,0|1,0,2]=4 2108 B6R1.4 [C@@H]1(COC1=O)N MCULE-7456320845 [0,0,0,1,0,0|2,0,0]=3 2109 B6R1.6 BrCC1CCC1 MCULE-6307620219 [0,0,0,1,0,0|1,0,1]=3 2110 B6R1.6 BrCC1CCO1 MCULE-8997197221 [0,0,0,1,0,0|2,0,1]=4 2111 B6R1.6 BrCC1CNC1 MCULE-5889797727 [0,0,0,1,0,0|2,0,1]=4 2112 B6R1.6 BrCC1CNC1 MCULE-7668948015 [0,0,0,1,0,0|2,0,1]=4 2113 B6R1.6 BrCC1COC1 MCULE-3267235863 [0,0,0,1,0,0|1,0,2]=4 2114 B6R1.6 BrC[C@@H]1CCO1 MCULE-5332541596 [0,0,0,1,0,0|2,0,1]=4 2115 B6R1.6 BrC[C@H]1CCO1 MCULE-4327725094 [0,0,0,1,0,0|2,0,1]=4 2116 B6R1.6 BrC[C@H]1CCO1 MCULE-5319595119 [0,0,0,1,0,0|2,0,1]=4 2117 B6R1.6 C#CC1CCC1 MCULE-3076610847 [0,0,0,1,0,0|1,0,1]=3 2118 B6R1.6 C#CC1CCN1 MCULE-4919064001 [0,0,0,1,0,0|2,0,1]=4 2119 B6R1.6 C#CC1CCN1 MCULE-9869131517 [0,0,0,1,0,0|2,0,1]=4 2120 B6R1.6 C#CC1CCO1 MCULE-6571223458 [0,0,0,1,0,0|2,0,1]=4 2121 B6R1.6 C#CC1CNC1 MCULE-4651971465 [0,0,0,1,0,0|2,0,1]=4 2122 B6R1.6 C#CC1CNC1 MCULE-9377887865 [0,0,0,1,0,0|2,0,1]=4 2123 B6R1.6 C#CC1COC1 MCULE-8724712442 [0,0,0,1,0,0|2,0,1]=4 2124 B6R1.6 C1(CCN1)CO MCULE-6309114010 [0,0,0,1,0,0|1,0,2]=4 2125 B6R1.6 C=CC1CNC1 MCULE-9929515921 [0,0,0,1,0,0|2,0,0]=3 2126 B6R1.6 CCC1CCN1 MCULE-2791335818 [0,0,0,1,0,0|2,0,0]=3 2127 B6R1.6 CCC1CCN1 MCULE-3929810240 [0,0,0,1,0,0|2,0,0]=3 2128 B6R1.6 CCC1CNC1 MCULE-5314495230 [0,0,0,1,0,0|1,0,1]=3 2129 B6R1.6 CCC1CNC1 MCULE-6675770601 [0,0,0,1,0,0|1,0,1]=3 2130 B6R1.6 CNC1CCC1 MCULE-1364608179 [0,0,0,1,0,0|2,0,0]=3 2131 B6R1.6 CNC1CCC1 MCULE-2951993315 [0,0,0,1,0,0|2,0,0]=3 2132 B6R1.6 CNC1CCN1 MCULE-7769870554 [0,0,0,1,0,0|3,0,0]=4 2133 B6R1.6 CNC1CCN1 MCULE-9764026934 [0,0,0,1,0,0|3,0,0]=4 2134 B6R1.6 CNC1CNC1 MCULE-1099597328 [0,0,0,1,0,0|2,0,1]=4 2135 B6R1.6 CNC1CNC1 MCULE-1308867000 [0,0,0,1,0,0|2,0,1]=4 2136 B6R1.6 CNC1COC1 MCULE-2040978636 [0,0,0,1,0,0|1,0,2]=4 2137 B6R1.6 CNC1COC1 MCULE-3130259264 [0,0,0,1,0,0|1,0,2]=4 2138 B6R1.6 CNC1COC1 MCULE-4618612030 [0,0,0,1,0,0|1,0,2]=4 2139 B6R1.6 CNC1CSC1 MCULE-6729829548 [0,0,0,1,0,0|1,1,1]=4 2140 B6R1.6 CNC1CSC1 MCULE-7173779891 [0,0,0,1,0,0|1,1,1]=4 2141 B6R1.6 COC1CNC1 MCULE-1522685592 [0,0,0,1,0,0|2,0,1]=4 2142 B6R1.6 COC1CNC1 MCULE-4835486151 [0,0,0,1,0,0|2,0,1]=4 2143 B6R1.6 CSC1CNC1 MCULE-2006549414 [0,0,0,1,0,0|2,0,1]=4 2144 B6R1.6 CSC1CNC1 MCULE-6024405532 [0,0,0,1,0,0|2,0,1]=4 2145 B6R1.6 ClCC1CCC1 MCULE-2464596839 [0,0,0,1,0,0|1,0,1]=3 2146 B6R1.6 ClCC1CCO1 MCULE-3809712491 [0,0,0,1,0,0|2,0,1]=4 2147 B6R1.6 ClCC1CNC1 MCULE-2451543932 [0,0,0,1,0,0|2,0,1]=4 2148 B6R1.6 ClCC1CNC1 MCULE-9626195989 [0,0,0,1,0,0|2,0,1]=4 2149 B6R1.6 ClCC1COC1 MCULE-1144637548 [0,0,0,1,0,0|1,0,2]=4 2150 B6R1.6 FCC1CCN1 MCULE-1368993155 [0,0,0,1,0,0|2,0,1]=4 2151 B6R1.6 FCC1CCN1 MCULE-8515014805 [0,0,0,1,0,0|2,0,1]=4 2152 B6R1.6 FCC1CCN1 MCULE-9723993015 [0,0,0,1,0,0|2,0,1]=4 2153 B6R1.6 FCC1CNC1 MCULE-4813599184 [0,0,0,1,0,0|2,0,1]=4 2154 B6R1.6 FCC1CNC1 MCULE-5694626686 [0,0,0,1,0,0|2,0,1]=4 2155 B6R1.6 FC[C@@H]1CCN1 MCULE-3863169127 [0,0,0,1,0,0|2,0,1]=4 2156 B6R1.6 FC[C@@H]1CCN1 MCULE-6069828502 [0,0,0,1,0,0|2,0,1]=4 2157 B6R1.6 FC[C@@H]1CCN1 MCULE-7267455157 [0,0,0,1,0,0|2,0,1]=4 2158 B6R1.6 FC[C@@H]1CCN1 MCULE-8157561423 [0,0,0,1,0,0|2,0,1]=4 2159 B6R1.6 FC[C@H]1CCN1 MCULE-3092369600 [0,0,0,1,0,0|2,0,1]=4 2160 B6R1.6 FC[C@H]1CCN1 MCULE-6708783004 [0,0,0,1,0,0|2,0,1]=4 2161 B6R1.6 ICC1CCC1 MCULE-7767711699 [0,0,0,1,0,0|1,0,1]=3 2162 B6R1.6 ICC1CCO1 MCULE-4132798336 [0,0,0,1,0,0|2,0,1]=4 2163 B6R1.6 ICC1COC1 MCULE-6325029437 [0,0,0,1,0,0|1,0,2]=4 2164 B6R1.6 N#CC1CCC1 MCULE-3335810526 [0,0,0,1,0,0|1,0,1]=3 2165 B6R1.6 N#CC1CCN1 MCULE-1911621774 [0,0,0,1,0,0|2,0,1]=4 2166 B6R1.6 N#CC1CCN1 MCULE-4794260273 [0,0,0,1,0,0|2,0,1]=4 2167 B6R1.6 N#CC1CCN1 MCULE-9823982389 [0,0,0,1,0,0|2,0,1]=4 2168 B6R1.6 N#CC1CNC1 MCULE-2385981463 [0,0,0,1,0,0|2,0,1]=4 2169 B6R1.6 N#CC1CNC1 MCULE-6516721657 [0,0,0,1,0,0|2,0,1]=4 2170 B6R1.6 N#CC1COC1 MCULE-8173442458 [0,0,0,1,0,0|2,0,1]=4 2171 B6R1.6 N#CC1CSC1 MCULE-8903032109 [0,0,0,1,0,0|2,0,1]=4 2172 B6R1.6 N#C[C@@H]1CCN1 MCULE-1138328452 [0,0,0,1,0,0|2,0,1]=4 2173 B6R1.6 N#C[C@@H]1CCN1 MCULE-5332905379 [0,0,0,1,0,0|2,0,1]=4 2174 B6R1.6 N#C[C@@H]1CCN1 MCULE-6157011731 [0,0,0,1,0,0|2,0,1]=4 2175 B6R1.6 N#C[C@@H]1CCN1 MCULE-8276413658 [0,0,0,1,0,0|2,0,1]=4 2176 B6R1.6 N#C[C@H]1CCN1 MCULE-1867811844 [0,0,0,1,0,0|2,0,1]=4 2177 B6R1.6 N#C[C@H]1CCN1 MCULE-2164621620 [0,0,0,1,0,0|2,0,1]=4 2178 B6R1.6 N#C[C@H]1CCN1 MCULE-7854885202 [0,0,0,1,0,0|2,0,1]=4 2179 B6R1.6 N#C[C@H]1CCN1 MCULE-8486466797 [0,0,0,1,0,0|2,0,1]=4 2180 B6R1.6 N#C[C@H]1CCN1 MCULE-9219109892 [0,0,0,1,0,0|2,0,1]=4 2181 B6R1.6 NCC1CCC1 MCULE-4977602211 [0,0,0,1,0,0|1,0,1]=3 2182 B6R1.6 NCC1CCC1 MCULE-8434128112 [0,0,0,1,0,0|1,0,1]=3 2183 B6R1.6 NCC1CCN1 MCULE-4988917629 [0,0,0,1,0,0|2,0,1]=4 2184 B6R1.6 NCC1CCN1 MCULE-5495577627 [0,0,0,1,0,0|2,0,1]=4 2185 B6R1.6 NCC1CCN1 MCULE-7749596260 [0,0,0,1,0,0|2,0,1]=4 2186 B6R1.6 NCC1CCO1 MCULE-4478591600 [0,0,0,1,0,0|2,0,1]=4 2187 B6R1.6 NCC1CCS1 MCULE-4026106833 [0,0,0,1,0,0|2,0,1]=4 2188 B6R1.6 NCC1CCS1 MCULE-5342015412 [0,0,0,1,0,0|2,0,1]=4 2189 B6R1.6 NCC1CNC1 MCULE-7601725567 [0,0,0,1,0,0|2,0,1]=4 2190 B6R1.6 NCC1CNC1 MCULE-7948891652 [0,0,0,1,0,0|2,0,1]=4 2191 B6R1.6 NCC1COC1 MCULE-4685637013 [0,0,0,1,0,0|1,0,2]=4 2192 B6R1.6 NCC1COC1 MCULE-6896653344 [0,0,0,1,0,0|1,0,2]=4 2193 B6R1.6 NCC1CSC1 MCULE-2317140221 [0,0,0,1,0,0|1,1,1]=4 2194 B6R1.6 NCC1CSC1 MCULE-2885312159 [0,0,0,1,0,0|1,1,1]=4 2195 B6R1.6 NC[C@@H]1CCO1 MCULE-2375359339 [0,0,0,1,0,0|2,0,1]=4 2196 B6R1.6 NC[C@@H]1CCO1 MCULE-4004256578 [0,0,0,1,0,0|2,0,1]=4 2197 B6R1.6 NC[C@H]1CCN1 MCULE-2270552795 [0,0,0,1,0,0|2,0,1]=4 2198 B6R1.6 NC[C@H]1CCN1 MCULE-2882990554 [0,0,0,1,0,0|2,0,1]=4 2199 B6R1.6 NC[C@H]1CCO1 MCULE-2811111103 [0,0,0,1,0,0|2,0,1]=4 2200 B6R1.6 NC[C@H]1CCO1 MCULE-4329808216 [0,0,0,1,0,0|2,0,1]=4 2201 B6R1.6 NC[C@H]1CCO1 MCULE-9974781002 [0,0,0,1,0,0|2,0,1]=4 2202 B6R1.6 NNC1CCC1 MCULE-2058855063 [0,0,0,1,0,0|2,0,0]=3 2203 B6R1.6 NNC1CCC1 MCULE-2355527907 [0,0,0,1,0,0|2,0,0]=3 2204 B6R1.6 NNC1CCC1 MCULE-7674249555 [0,0,0,1,0,0|2,0,0]=3 2205 B6R1.6 NNC1CNC1 MCULE-1383746939 [0,0,0,1,0,0|3,0,0]=4 2206 B6R1.6 NNC1CNC1 MCULE-8167393861 [0,0,0,1,0,0|3,0,0]=4 2207 B6R1.6 NNC1COC1 MCULE-2986078946 [0,0,0,1,0,0|3,0,0]=4 2208 B6R1.6 NNC1COC1 MCULE-4662390820 [0,0,0,1,0,0|3,0,0]=4 2209 B6R1.6 NNC1COC1 MCULE-7804737341 [0,0,0,1,0,0|3,0,0]=4 2210 B6R1.6 NNC1CSC1 MCULE-2341298971 [0,0,0,1,0,0|3,0,0]=4 2211 B6R1.6 NNC1CSC1 MCULE-6513117263 [0,0,0,1,0,0|3,0,0]=4 2212 B6R1.6 NNC1CSC1 MCULE-9957779440 [0,0,0,1,0,0|3,0,0]=4 2213 B6R1.6 NOC1CCC1 MCULE-2140396646 [0,0,0,1,0,0|2,0,0]=3 2214 B6R1.6 NOC1CCC1 MCULE-9347173321 [0,0,0,1,0,0|2,0,0]=3 2215 B6R1.6 NOC1COC1 MCULE-1949996102 [0,0,0,1,0,0|3,0,0]=4 2216 B6R1.6 O=CC1CCC1 MCULE-8678026416 [0,0,0,1,0,0|0,0,0]=1 2217 B6R1.6 O=CC1COC1 MCULE-3773699476 [0,0,0,1,0,0|1,0,0]=2 2218 B6R1.6 O=CC1CSC1 MCULE-2648443908 [0,0,0,1,0,0|1,0,0]=2 2219 B6R1.6 OCC1CCC1 MCULE-3046613150 [0,0,0,1,0,0|0,0,2]=3 2220 B6R1.6 OCC1CCN1 MCULE-1812443062 [0,0,0,1,0,0|1,0,2]=4 2221 B6R1.6 OCC1CCN1 MCULE-8390631765 [0,0,0,1,0,0|1,0,2]=4 2222 B6R1.6 OCC1CCO1 MCULE-7120761203 [0,0,0,1,0,0|1,0,2]=4 2223 B6R1.6 OCC1CCO1 MCULE-7517577386 [0,0,0,1,0,0|1,0,2]=4 2224 B6R1.6 OCC1CNC1 MCULE-1537874886 [0,0,0,1,0,0|1,0,2]=4 2225 B6R1.6 OCC1CNC1 MCULE-8316085177 [0,0,0,1,0,0|1,0,2]=4 2226 B6R1.6 OCC1COC1 MCULE-5031415478 [0,0,0,1,0,0|1,0,2]=4 2227 B6R1.6 OCC1CSC1 MCULE-9388221183 [0,0,0,1,0,0|1,0,2]=4 2228 B6R1.6 OC[C@@H]1CCN1 MCULE-5565957906 [0,0,0,1,0,0|1,0,2]=4 2229 B6R1.6 OC[C@@H]1CCN1 MCULE-7064010066 [0,0,0,1,0,0|1,0,2]=4 2230 B6R1.6 OC[C@@H]1CCN1 MCULE-7539121327 [0,0,0,1,0,0|1,0,2]=4 2231 B6R1.6 OC[C@@H]1CCN1 MCULE-9740096939 [0,0,0,1,0,0|1,0,2]=4 2232 B6R1.6 OC[C@@H]1CCO1 MCULE-7613449097 [0,0,0,1,0,0|1,0,2]=4 2233 B6R1.6 OC[C@@H]1CCO1 MCULE-9444003682 [0,0,0,1,0,0|1,0,2]=4 2234 B6R1.6 OC[C@H]1CCN1 MCULE-5733363493 [0,0,0,1,0,0|1,0,2]=4 2235 B6R1.6 OC[C@H]1CCN1 MCULE-8466413816 [0,0,0,1,0,0|1,0,2]=4 2236 B6R1.6 OC[C@H]1CCO1 MCULE-1446169257 [0,0,0,1,0,0|1,0,2]=4 2237 B6R1.6 OC[C@H]1CCO1 MCULE-2929052431 [0,0,0,1,0,0|1,0,2]=4 2238 B6R1.6 ON=C1CCC1 MCULE-4777625640 [0,0,0,1,0,0|1,0,2]=4 2239 B6R1.6 SCC1CCC1 MCULE-4083757063 [0,0,0,1,0,0|0,1,1]=3 2240 B6R1.6 SCC1COC1 MCULE-7193197469 [0,0,0,1,0,0|1,0,2]=4 2241 B6R1.7 BrCC1(CC1)Br MCULE-3664717874 [0,0,0,1,0,0|2,0,1]=4 2242 B6R1.7 C#CC1(CC1)C MCULE-7036163809 [0,0,0,1,0,0|1,0,1]=3 2243 B6R1.7 C#CC1(CC1)N MCULE-2111588628 [0,0,0,1,0,0|2,0,1]=4 2244 B6R1.7 C#CC1(CC1)N MCULE-6233600820 [0,0,0,1,0,0|2,0,1]=4 2245 B6R1.7 C#CC1(CC1)O MCULE-2391074408 [0,0,0,1,0,0|2,0,1]=4 2246 B6R1.7 C=CC1(CC1)O MCULE-4527683750 [0,0,0,1,0,0|2,0,0]=3 2247 B6R1.7 C=CC1(CO1)C MCULE-2507036726 [0,0,0,1,0,0|2,0,0]=3 2248 B6R1.7 CC1(CC1)C#N MCULE-1818955537 [0,0,0,1,0,0|1,0,1]=3 2249 B6R1.7 CC1(CC1)C=O MCULE-3651219428 [0,0,0,1,0,0|0,0,0]=1 2250 B6R1.7 CC1(CC1)CBr MCULE-7638105894 [0,0,0,1,0,0|1,0,1]=3 2251 B6R1.7 CC1(CC1)CCl MCULE-5653369516 [0,0,0,1,0,0|1,0,1]=3 2252 B6R1.7 CC1(CC1)CN MCULE-2933267296 [0,0,0,1,0,0|1,0,1]=3 2253 B6R1.7 CC1(CC1)CN MCULE-6561269012 [0,0,0,1,0,0|1,0,1]=3 2254 B6R1.7 CC1(CC1)CO MCULE-9292264802 [0,0,0,1,0,0|0,0,2]=3 2255 B6R1.7 CC1(CO1)CBr MCULE-5372688659 [0,0,0,1,0,0|1,0,2]=4 2256 B6R1.7 CC1(CO1)CCl MCULE-8847094307 [0,0,0,1,0,0|1,0,2]=4 2257 B6R1.7 CC1(CO1)CO MCULE-1000912721 [0,0,0,1,0,0|1,0,2]=4 2258 B6R1.7 CC1(N=N1)CN MCULE-9632613863 [0,0,0,1,0,0|3,0,0]=4 2259 B6R1.7 CC1(N=N1)CN MCULE-9741209062 [0,0,0,1,0,0|3,0,0]=4 2260 B6R1.7 CC1(N=N1)CO MCULE-3111044066 [0,0,0,1,0,0|3,0,0]=4 2261 B6R1.7 CCC1(CC1)N MCULE-3440893089 [0,0,0,1,0,0|2,0,1]=4 2262 B6R1.7 CCC1(CC1)N MCULE-8936334501 [0,0,0,1,0,0|2,0,1]=4 2263 B6R1.7 CCC1(CC1)O MCULE-7491011687 [0,0,0,1,0,0|2,0,1]=4 2264 B6R1.7 CCC1(CO1)C MCULE-5308881519 [0,0,0,1,0,0|0,0,2]=3 2265 B6R1.7 CNC1(CC1)C MCULE-5271625822 [0,0,0,1,0,0|2,0,0]=3 2266 B6R1.7 CNC1(CC1)C MCULE-9473196269 [0,0,0,1,0,0|2,0,0]=3 2267 B6R1.7 C[C@@]1(CO1)CO MCULE-2087028484 [0,0,0,1,0,0|1,0,2]=4 2268 B6R1.7 C[C@@]1(CO1)CO MCULE-6244999634 [0,0,0,1,0,0|1,0,2]=4 2269 B6R1.7 C[C@]1(CO1)CO MCULE-1098652766 [0,0,0,1,0,0|1,0,2]=4 2270 B6R1.7 C[C@]1(CO1)CO MCULE-9811443530 [0,0,0,1,0,0|1,0,2]=4 2271 B6R1.7 ClC1(CC1)CBr MCULE-5738182750 [0,0,0,1,0,0|2,0,1]=4 2272 B6R1.7 ClCC1(CC1)Br MCULE-5375999277 [0,0,0,1,0,0|2,0,1]=4 2273 B6R1.7 FC1(CC1)CBr MCULE-9308548759 [0,0,0,1,0,0|2,0,1]=4 2274 B6R1.7 N#CC1(CC1)Br MCULE-4275489303 [0,0,0,1,0,0|2,0,1]=4 2275 B6R1.7 N#CC1(CC1)N MCULE-2345532836 [0,0,0,1,0,0|2,0,1]=4 2276 B6R1.7 N#CC1(CC1)N MCULE-6976493694 [0,0,0,1,0,0|2,0,1]=4 2277 B6R1.7 N#CC1(CC1)O MCULE-1394111227 [0,0,0,1,0,0|2,0,1]=4 2278 B6R1.7 NC1(CC1)CF MCULE-3560419554 [0,0,0,1,0,0|2,0,1]=4 2279 B6R1.7 NC1(CC1)CF MCULE-5037711402 [0,0,0,1,0,0|2,0,1]=4 2280 B6R1.7 NC1(CC1)CO MCULE-5890036745 [0,0,0,1,0,0|1,0,2]=4 2281 B6R1.7 NC1(CC1)CO MCULE-6476116416 [0,0,0,1,0,0|1,0,2]=4 2282 B6R1.7 NCC1(CC1)Br MCULE-7318489845 [0,0,0,1,0,0|2,0,1]=4 2283 B6R1.7 NCC1(CC1)F MCULE-6736176817 [0,0,0,1,0,0|2,0,1]=4 2284 B6R1.7 NCC1(CC1)F MCULE-7735967320 [0,0,0,1,0,0|2,0,1]=4 2285 B6R1.7 NCC1(CC1)N MCULE-4980820376 [0,0,0,1,0,0|2,0,1]=4 2286 B6R1.7 NCC1(CC1)N MCULE-7033999881 [0,0,0,1,0,0|2,0,1]=4 2287 B6R1.7 NCC1(CC1)O MCULE-7633241990 [0,0,0,1,0,0|2,0,1]=4 2288 B6R1.7 NCC1(CC1)O MCULE-8264909288 [0,0,0,1,0,0|2,0,1]=4 2289 B6R1.7 O=CC1(CC1)F MCULE-5455667660 [0,0,0,1,0,0|1,0,0]=2 2290 B6R1.7 OCC1(CC1)Br MCULE-2797548638 [0,0,0,1,0,0|1,0,2]=4 2291 B6R1.7 OCC1(CC1)Cl MCULE-4350532922 [0,0,0,1,0,0|1,0,2]=4 2292 B6R1.7 OCC1(CC1)F MCULE-9539268105 [0,0,0,1,0,0|1,0,2]=4 2293 B6R1.7 OCC1(CC1)O MCULE-7768871656 [0,0,0,1,0,0|1,0,2]=4 2294 B6R1.8 C=C1CC1CO MCULE-4338601055 [0,0,0,1,0,0|2,0,0]=3 2295 B6R1.8 CC1CC1C#N MCULE-4373618430 [0,0,0,1,0,0|1,0,1]=3 2296 B6R1.8 CC1CC1C=O MCULE-2600627355 [0,0,0,1,0,0|0,0,0]=1 2297 B6R1.8 CC1CC1CN MCULE-2810102174 [0,0,0,1,0,0|1,0,1]=3 2298 B6R1.8 CC1CC1CN MCULE-7518062300 [0,0,0,1,0,0|1,0,1]=3 2299 B6R1.8 CC1CC1CO MCULE-5196594569 [0,0,0,1,0,0|0,0,2]=3 2300 B6R1.8 CC1OC1CBr MCULE-3133107383 [0,0,0,1,0,0|2,0,1]=4 2301 B6R1.8 CC1OC1CO MCULE-1680425960 [0,0,0,1,0,0|1,0,2]=4 2302 B6R1.8 CCC1CC1N MCULE-6304873051 [0,0,0,1,0,0|1,0,1]=3 2303 B6R1.8 CC[C@@H]1C[C@@H]1N MCULE-9218626187 [0,0,0,1,0,0|1,0,1]=3 2304 B6R1.8 CC[C@@H]1C[C@H]1N MCULE-5365117215 [0,0,0,1,0,0|1,0,1]=3 2305 B6R1.8 CC[C@@H]1C[C@H]1N MCULE-9993971387 [0,0,0,1,0,0|1,0,1]=3 2306 B6R1.8 CC[C@H]1C[C@@H]1N MCULE-5971477946 [0,0,0,1,0,0|1,0,1]=3 2307 B6R1.8 CC[C@H]1C[C@H]1N MCULE-4387456908 [0,0,0,1,0,0|1,0,1]=3 2308 B6R1.8 COC1CC1N MCULE-6836691149 [0,0,0,1,0,0|2,0,1]=4 2309 B6R1.8 COC1CC1N MCULE-9062056960 [0,0,0,1,0,0|2,0,1]=4 2310 B6R1.8 CO[C@@H]1C[C@@H]1N MCULE-6456572695 [0,0,0,1,0,0|2,0,1]=4 2311 B6R1.8 CO[C@@H]1C[C@@H]1N MCULE-9755300484 [0,0,0,1,0,0|2,0,1]=4 2312 B6R1.8 CO[C@@H]1C[C@H]1N MCULE-3862342520 [0,0,0,1,0,0|2,0,1]=4 2313 B6R1.8 CO[C@@H]1C[C@H]1N MCULE-4120361377 [0,0,0,1,0,0|2,0,1]=4 2314 B6R1.8 CO[C@H]1C[C@@H]1N MCULE-6295001950 [0,0,0,1,0,0|2,0,1]=4 2315 B6R1.8 CO[C@H]1C[C@@H]1N MCULE-7524472312 [0,0,0,1,0,0|2,0,1]=4 2316 B6R1.8 CO[C@H]1C[C@H]1N MCULE-3000810470 [0,0,0,1,0,0|2,0,1]=4 2317 B6R1.8 CO[C@H]1C[C@H]1N MCULE-6255571706 [0,0,0,1,0,0|2,0,1]=4 2318 B6R1.8 C[C@@H]1C[C@@H]1CN MCULE-5971817939 [0,0,0,1,0,0|1,0,1]=3 2319 B6R1.8 C[C@@H]1C[C@@H]1CO MCULE-7143685612 [0,0,0,1,0,0|0,0,2]=3 2320 B6R1.8 C[C@@H]1C[C@H]1CN MCULE-3418148363 [0,0,0,1,0,0|1,0,1]=3 2321 B6R1.8 C[C@@H]1C[C@H]1CN MCULE-3519756910 [0,0,0,1,0,0|1,0,1]=3 2322 B6R1.8 C[C@@H]1C[C@H]1CN MCULE-3649923384 [0,0,0,1,0,0|1,0,1]=3 2323 B6R1.8 C[C@@H]1C[C@H]1CN MCULE-8330237030 [0,0,0,1,0,0|1,0,1]=3 2324 B6R1.8 C[C@@H]1C[C@H]1CO MCULE-3741611930 [0,0,0,1,0,0|0,0,2]=3 2325 B6R1.8 C[C@H]1C[C@@H]1CN MCULE-9856477951 [0,0,0,1,0,0|1,0,1]=3 2326 B6R1.8 C[C@H]1C[C@@H]1CO MCULE-2846304871 [0,0,0,1,0,0|0,0,2]=3 2327 B6R1.8 C[C@H]1C[C@@H]1CO MCULE-9275931471 [0,0,0,1,0,0|0,0,2]=3 2328 B6R1.8 C[C@H]1C[C@H]1CN MCULE-4949172422 [0,0,0,1,0,0|1,0,1]=3 2329 B6R1.8 C[C@H]1C[C@H]1CO MCULE-3828120088 [0,0,0,1,0,0|0,0,2]=3 2330 B6R1.8 C[C@H]1C[C@H]1CO MCULE-8442952820 [0,0,0,1,0,0|0,0,2]=3 2331 B6R1.8 N#CC1CC1N MCULE-2917743786 [0,0,0,1,0,0|2,0,1]=4 2332 B6R1.8 N#CC1CC1N MCULE-6566554188 [0,0,0,1,0,0|2,0,1]=4 2333 B6R1.8 N#C[C@@H]1C[C@@H]1F MCULE-1410853829 [0,0,0,1,0,0|2,0,1]=4 2334 B6R1.8 N#C[C@H]1C[C@@H]1F MCULE-4546872877 [0,0,0,1,0,0|2,0,1]=4 2335 B6R1.8 N#C[C@H]1C[C@@H]1F MCULE-5765890863 [0,0,0,1,0,0|2,0,1]=4 2336 B6R1.8 N#C[C@H]1C[C@H]1F MCULE-4724318472 [0,0,0,1,0,0|2,0,1]=4 2337 B6R1.8 NC1CC1CO MCULE-7666097515 [0,0,0,1,0,0|1,0,2]=4 2338 B6R1.8 NCC1CC1N MCULE-4864283129 [0,0,0,1,0,0|2,0,1]=4 2339 B6R1.8 NCC1CC1N MCULE-7029010792 [0,0,0,1,0,0|2,0,1]=4 2340 B6R1.8 O=CC1CC1Cl MCULE-5539872961 [0,0,0,1,0,0|1,0,0]=2 2341 B6R1.8 OCC1CC1Cl MCULE-1321755136 [0,0,0,1,0,0|1,0,2]=4 2342 B6R1.8 OCC1C[C@@H]1F MCULE-2637570432 [0,0,0,1,0,0|1,0,2]=4 2343 B6R1.8 OC[C@@H]1C[C@@H]1F MCULE-9090620006 [0,0,0,1,0,0|1,0,2]=4 2344 B6R1.8 OC[C@@H]1C[C@H]1Br MCULE-8344332753 [0,0,0,1,0,0|1,0,2]=4 2345 B6R1.8 OC[C@@H]1C[C@H]1F MCULE-6282037947 [0,0,0,1,0,0|1,0,2]=4 2346 B6R1.8 OC[C@@H]1C[C@H]1F MCULE-8944803823 [0,0,0,1,0,0|1,0,2]=4 2347 B6R1.8 OC[C@H]1C[C@@H]1F MCULE-3157094299 [0,0,0,1,0,0|1,0,2]=4 2348 B3R0.1 BrCCBr MCULE-7586462642 [2,0,0,0,0,0|2,0,0]=4 2349 B3R0.1 BrCCI MCULE-8691237057 [2,0,0,0,0,0|2,0,0]=4 2350 B3R0.1 C#CC=O MCULE-4187736819 [2,0,0,0,0,0|0,0,2]=4 2351 B3R0.1 C#CCC MCULE-8090253856 [2,0,0,0,0,0|0,0,2]=4 2352 B3R0.1 C/C=C/Br MCULE-4076369660 [2,0,0,0,0,0|1,0,1]=4 2353 B3R0.1 C=CC=O MCULE-2104890669 [2,0,0,0,0,0|0,0,2]=4 2354 B3R0.1 C=CCBr MCULE-9486454833 [2,0,0,0,0,0|1,0,1]=4 2355 B3R0.1 C=CCC MCULE-8167907130 [2,0,0,0,0,0|0,0,1]=3 2356 B3R0.1 C=CCCl MCULE-4067772785 [2,0,0,0,0,0|1,0,1]=4 2357 B3R0.1 C=CCF MCULE-7783191980 [2,0,0,0,0,0|1,0,1]=4 2358 B3R0.1 C=CCI MCULE-5037698873 [2,0,0,0,0,0|1,0,1]=4 2359 B3R0.1 C=CCN MCULE-2424616806 [2,0,0,0,0,0|1,0,1]=4 2360 B3R0.1 C=CCN MCULE-2473480946 [2,0,0,0,0,0|1,0,1]=4 2361 B3R0.1 C=CCO MCULE-2145308838 [2,0,0,0,0,0|1,0,1]=4 2362 B3R0.1 C=CCS MCULE-7270484838 [2,0,0,0,0,0|1,0,1]=4 2363 B3R0.1 C=COC MCULE-4880746684 [2,0,0,0,0,0|1,0,1]=4 2364 B3R0.1 CC#CC MCULE-3721942346 [2,0,0,0,0,0|0,0,2]=4 2365 B3R0.1 CC=CBr MCULE-2098755460 [2,0,0,0,0,0|1,0,1]=4 2366 B3R0.1 CC=CCl MCULE-9225887510 [2,0,0,0,0,0|1,0,1]=4 2367 B3R0.1 CCC#N MCULE-9484970536 [2,0,0,0,0,0|1,0,1]=4 2368 B3R0.1 CCC=O MCULE-4079744837 [2,0,0,0,0,0|0,0,0]=2 2369 B3R0.1 CCCBr MCULE-2393970713 [2,0,0,0,0,0|1,0,0]=3 2370 B3R0.1 CCCC MCULE-9760497805 [2,0,0,0,0,0|0,0,0]=2 2371 B3R0.1 CCCCl MCULE-3496412829 [2,0,0,0,0,0|1,0,0]=3 2372 B3R0.1 CCCF MCULE-8540338768 [2,0,0,0,0,0|1,0,0]=3 2373 B3R0.1 CCCI MCULE-1721488805 [2,0,0,0,0,0|1,0,0]=3 2374 B3R0.1 CCCN MCULE-2885523792 [2,0,0,0,0,0|1,0,0]=3 2375 B3R0.1 CCCN MCULE-4318907091 [2,0,0,0,0,0|1,0,0]=3 2376 B3R0.1 CCCN MCULE-6330457870 [2,0,0,0,0,0|1,0,0]=3 2377 B3R0.1 CCCN MCULE-7146820007 [2,0,0,0,0,0|1,0,0]=3 2378 B3R0.1 CCCO MCULE-6252105126 [2,0,0,0,0,0|0,0,1]=3 2379 B3R0.1 CCCS MCULE-8267649092 [2,0,0,0,0,0|0,1,0]=3 2380 B3R0.1 CCNC MCULE-7215376398 [2,0,0,0,0,0|1,0,0]=3 2381 B3R0.1 CCNC MCULE-9811899205 [2,0,0,0,0,0|1,0,0]=3 2382 B3R0.1 CCNN MCULE-4753127904 [2,0,0,0,0,0|2,0,0]=4 2383 B3R0.1 CCNN MCULE-7630363192 [2,0,0,0,0,0|2,0,0]=4 2384 B3R0.1 CCNN MCULE-8402230944 [2,0,0,0,0,0|2,0,0]=4 2385 B3R0.1 CCNO MCULE-1215586669 [2,0,0,0,0,0|1,0,1]=4 2386 B3R0.1 CCNO MCULE-7075818857 [2,0,0,0,0,0|1,0,1]=4 2387 B3R0.1 CCON MCULE-5316082054 [2,0,0,0,0,0|2,0,0]=4 2388 B3R0.1 CCON MCULE-6621418839 [2,0,0,0,0,0|2,0,0]=4 2389 B3R0.1 CCO[NH3+] MCULE-7670481464 [2,0,0,0,0,0|2,0,0]=4 2390 B3R0.1 CCO[NH3+] MCULE-7871083232 [2,0,0,0,0,0|2,0,0]=4 2391 B3R0.1 CCSC MCULE-6944750263 [2,0,0,0,0,0|1,0,0]=3 2392 B3R0.1 CN=C=O MCULE-7764606582 [2,0,0,0,0,0|1,0,1]=4 2393 B3R0.1 CNC=O MCULE-4739122677 [2,0,0,0,0,0|1,0,0]=3 2394 B3R0.1 CNC=S MCULE-1018523469 [2,0,0,0,0,0|1,1,0]=4 2395 B3R0.1 CNNC MCULE-5932476941 [2,0,0,0,0,0|2,0,0]=4 2396 B3R0.1 CNNC MCULE-6419598860 [2,0,0,0,0,0|2,0,0]=4 2397 B3R0.1 CNOC MCULE-1706082503 [2,0,0,0,0,0|2,0,0]=4 2398 B3R0.1 CNOC MCULE-6224540090 [2,0,0,0,0,0|2,0,0]=4 2399 B3R0.1 COC=O MCULE-9122749354 [2,0,0,0,0,0|1,0,0]=3 2400 B3R0.1 COCBr MCULE-2566721472 [2,0,0,0,0,0|2,0,0]=4 2401 B3R0.1 COCCl MCULE-5928768006 [2,0,0,0,0,0|2,0,0]=4 2402 B3R0.1 COCI MCULE-5215132549 [2,0,0,0,0,0|2,0,0]=4 2403 B3R0.1 CSCCl MCULE-1281800596 [2,0,0,0,0,0|2,0,0]=4 2404 B3R0.1 CSSC MCULE-7451882535 [2,0,0,0,0,0|2,0,0]=4 2405 B3R0.1 C[Se][Se]C MCULE-1189700302 [2,0,0,0,0,0|2,0,0]=4 2406 B3R0.1 ClCCBr MCULE-3933774075 [2,0,0,0,0,0|2,0,0]=4 2407 B3R0.1 ClCCCl MCULE-3493741440 [2,0,0,0,0,0|2,0,0]=4 2408 B3R0.1 ClCCI MCULE-7847880962 [2,0,0,0,0,0|2,0,0]=4 2409 B3R0.1 FCCBr MCULE-3117974140 [2,0,0,0,0,0|2,0,0]=4 2410 B3R0.1 FCCCl MCULE-1862981403 [2,0,0,0,0,0|2,0,0]=4 2411 B3R0.1 FCCF MCULE-1975194621 [2,0,0,0,0,0|2,0,0]=4 2412 B3R0.1 FCCI MCULE-3689313503 [2,0,0,0,0,0|2,0,0]=4 2413 B3R0.1 ICCI MCULE-8025471988 [2,0,0,0,0,0|2,0,0]=4 2414 B3R0.1 NCCBr MCULE-3401124597 [2,0,0,0,0,0|2,0,0]=4 2415 B3R0.1 NCCBr MCULE-6215378497 [2,0,0,0,0,0|2,0,0]=4 2416 B3R0.1 NCCCl MCULE-1458699843 [2,0,0,0,0,0|2,0,0]=4 2417 B3R0.1 NCCCl MCULE-6944306112 [2,0,0,0,0,0|2,0,0]=4 2418 B3R0.1 NCCF MCULE-1670520169 [2,0,0,0,0,0|2,0,0]=4 2419 B3R0.1 NCCF MCULE-4963351029 [2,0,0,0,0,0|2,0,0]=4 2420 B3R0.1 NCCI MCULE-6905308399 [2,0,0,0,0,0|2,0,0]=4 2421 B3R0.1 NCCI MCULE-7487764362 [2,0,0,0,0,0|2,0,0]=4 2422 B3R0.1 NCCN MCULE-4740333723 [2,0,0,0,0,0|2,0,0]=4 2423 B3R0.1 NCCN MCULE-6795272853 [2,0,0,0,0,0|2,0,0]=4 2424 B3R0.1 NCCN MCULE-8304126024 [2,0,0,0,0,0|2,0,0]=4 2425 B3R0.1 NCCN MCULE-8325612144 [2,0,0,0,0,0|2,0,0]=4 2426 B3R0.1 NCCO MCULE-5175116598 [2,0,0,0,0,0|1,0,1]=4 2427 B3R0.1 NCCO MCULE-8624730373 [2,0,0,0,0,0|1,0,1]=4 2428 B3R0.1 NCCS MCULE-1838427828 [2,0,0,0,0,0|1,1,0]=4 2429 B3R0.1 NCCS MCULE-2418938683 [2,0,0,0,0,0|1,1,0]=4 2430 B3R0.1 NNC=O MCULE-6986968107 [2,0,0,0,0,0|2,0,0]=4 2431 B3R0.1 NOC=O MCULE-4489199776 [2,0,0,0,0,0|2,0,0]=4 2432 B3R0.1 O=CC=O MCULE-3212938778 [2,0,0,0,0,0|1,0,1]=4 2433 B3R0.1 O=CCBr MCULE-9076011270 [2,0,0,0,0,0|1,0,0]=3 2434 B3R0.1 O=CCCl MCULE-7307216184 [2,0,0,0,0,0|1,0,0]=3 2435 B3R0.1 O=CCI MCULE-1146810366 [2,0,0,0,0,0|1,0,0]=3 2436 B3R0.1 OCCBr MCULE-5097256006 [2,0,0,0,0,0|1,0,1]=4 2437 B3R0.1 OCCCl MCULE-5139580173 [2,0,0,0,0,0|1,0,1]=4 2438 B3R0.1 OCCF MCULE-7590677201 [2,0,0,0,0,0|1,0,1]=4 2439 B3R0.1 OCCI MCULE-8359750387 [2,0,0,0,0,0|1,0,1]=4 2440 B3R0.1 OCCO MCULE-6366313128 [2,0,0,0,0,0|1,0,1]=4 2441 B3R0.1 OCCS MCULE-2252943288 [2,0,0,0,0,0|1,0,1]=4 2442 B3R0.1 PCCP MCULE-2159678577 [2,0,0,0,0,0|2,0,0]=4 2443 B3R0.1 SCCBr MCULE-5899941299 [2,0,0,0,0,0|1,1,0]=4 2444 B3R0.1 SCCS MCULE-8277435664 [2,0,0,0,0,0|1,1,0]=4 2445 B3R0.1 [NH3+]CCS MCULE-6407472407 [2,0,0,0,0,0|1,1,0]=4 2446 B3R0.1 [NH3+]CC[NH3+] MCULE-5313549416 [2,0,0,0,0,0|2,0,0]=4 2447 B3R0.2 BN(C)C MCULE-2470964161 [2,0,0,0,0,0|2,0,0]=4 2448 B3R0.2 C=C(C)Br MCULE-7805530064 [2,0,0,0,0,0|1,0,1]=4 2449 B3R0.2 C=C(C)C MCULE-5640095130 [2,0,0,0,0,0|0,0,1]=3 2450 B3R0.2 C=C(C)Cl MCULE-1752401095 [2,0,0,0,0,0|1,0,1]=4 2451 B3R0.2 C=C(C)F MCULE-3213198231 [2,0,0,0,0,0|1,0,1]=4 2452 B3R0.2 C=[N+](C)C MCULE-4450980212 [2,0,0,0,0,0|1,0,0]=3 2453 B3R0.2 C=[N+](C)C MCULE-5309464837 [2,0,0,0,0,0|1,0,0]=3 2454 B3R0.2 C=[N+](C)C MCULE-9321779445 [2,0,0,0,0,0|1,0,0]=3 2455 B3R0.2 CC(=O)Br MCULE-4892265063 [2,0,0,0,0,0|1,0,1]=4 2456 B3R0.2 CC(=O)C MCULE-6679625040 [2,0,0,0,0,0|0,0,1]=3 2457 B3R0.2 CC(=O)Cl MCULE-9041746362 [2,0,0,0,0,0|1,0,1]=4 2458 B3R0.2 CC(=O)I MCULE-4812718701 [2,0,0,0,0,0|1,0,1]=4 2459 B3R0.2 CC(=O)N MCULE-9280264861 [2,0,0,0,0,0|1,0,1]=4 2460 B3R0.2 CC(=O)O MCULE-1502330578 [2,0,0,0,0,0|1,0,1]=4 2461 B3R0.2 CC(=O)O MCULE-5514028500 [2,0,0,0,0,0|1,0,1]=4 2462 B3R0.2 CC(=O)O MCULE-5942589566 [2,0,0,0,0,0|1,0,1]=4 2463 B3R0.2 CC(=O)O MCULE-6780070129 [2,0,0,0,0,0|1,0,1]=4 2464 B3R0.2 CC(=O)O MCULE-8295936189 [2,0,0,0,0,0|1,0,1]=4 2465 B3R0.2 CC(=O)O MCULE-9103972283 [2,0,0,0,0,0|1,0,1]=4 2466 B3R0.2 CC(=O)O MCULE-9900518424 [2,0,0,0,0,0|1,0,1]=4 2467 B3R0.2 CC(=O)S MCULE-5769447035 [2,0,0,0,0,0|1,0,1]=4 2468 B3R0.2 CC(=O)[O-] MCULE-2314460022 [2,0,0,0,0,0|1,0,1]=4 2469 B3R0.2 CC(=O)[O-] MCULE-2960771771 [2,0,0,0,0,0|1,0,1]=4 2470 B3R0.2 CC(=O)[O-] MCULE-5334052410 [2,0,0,0,0,0|1,0,1]=4 2471 B3R0.2 CC(=O)[O-] MCULE-5482908386 [2,0,0,0,0,0|1,0,1]=4 2472 B3R0.2 CC(=O)[O-] MCULE-9723570182 [2,0,0,0,0,0|1,0,1]=4 2473 B3R0.2 CC(=O)[O-] MCULE-9910426896 [2,0,0,0,0,0|1,0,1]=4 2474 B3R0.2 CC(Br)Br MCULE-3156450089 [2,0,0,0,0,0|2,0,0]=4 2475 B3R0.2 CC(C)Br MCULE-4068304617 [2,0,0,0,0,0|1,0,0]=3 2476 B3R0.2 CC(C)C MCULE-6616676274 [2,0,0,0,0,0|0,0,1]=3 2477 B3R0.2 CC(C)Cl MCULE-3190141598 [2,0,0,0,0,0|1,0,0]=3 2478 B3R0.2 CC(C)F MCULE-5333357055 [2,0,0,0,0,0|1,0,0]=3 2479 B3R0.2 CC(C)I MCULE-6151711033 [2,0,0,0,0,0|1,0,0]=3 2480 B3R0.2 CC(C)N MCULE-1048799006 [2,0,0,0,0,0|1,0,0]=3 2481 B3R0.2 CC(C)N MCULE-1125416142 [2,0,0,0,0,0|1,0,0]=3 2482 B3R0.2 CC(C)N MCULE-2418429353 [2,0,0,0,0,0|1,0,0]=3 2483 B3R0.2 CC(C)N MCULE-7280647435 [2,0,0,0,0,0|1,0,0]=3 2484 B3R0.2 CC(C)O MCULE-6646752234 [2,0,0,0,0,0|0,0,1]=3 2485 B3R0.2 CC(C)S MCULE-8283942088 [2,0,0,0,0,0|0,1,0]=3 2486 B3R0.2 CC(Cl)Br MCULE-6166388747 [2,0,0,0,0,0|2,0,0]=4 2487 B3R0.2 CC(Cl)Cl MCULE-2444543893 [2,0,0,0,0,0|2,0,0]=4 2488 B3R0.2 CC(F)Cl MCULE-1350283946 [2,0,0,0,0,0|2,0,0]=4 2489 B3R0.2 CC(F)F MCULE-1642052461 [2,0,0,0,0,0|2,0,0]=4 2490 B3R0.2 CN(=O)=O MCULE-8704524604 [2,0,0,0,0,0|2,0,0]=4 2491 B3R0.2 CN(C)C MCULE-5179437979 [2,0,0,0,0,0|1,0,1]=4 2492 B3R0.2 CN(C)C MCULE-6816696733 [2,0,0,0,0,0|1,0,1]=4 2493 B3R0.2 CN(C)C MCULE-7903544426 [2,0,0,0,0,0|1,0,1]=4 2494 B3R0.2 CN(C)N MCULE-7177216911 [2,0,0,0,0,0|2,0,0]=4 2495 B3R0.2 CN(C)N MCULE-8775366011 [2,0,0,0,0,0|2,0,0]=4 2496 B3R0.2 CN(C)O MCULE-6572915706 [2,0,0,0,0,0|1,0,1]=4 2497 B3R0.2 CN(C)O MCULE-6950647562 [2,0,0,0,0,0|1,0,1]=4 2498 B3R0.2 CP(=O)C MCULE-6150886622 [2,0,0,0,0,0|1,0,0]=3 2499 B3R0.2 CP(C)C MCULE-6703190251 [2,0,0,0,0,0|1,0,1]=4 2500 B3R0.2 CS(=O)C MCULE-2005841258 [2,0,0,0,0,0|1,0,0]=3 2501 B3R0.2 CS(=O)Cl MCULE-1292201352 [2,0,0,0,0,0|2,0,0]=4 2502 B3R0.2 CS(=O)N MCULE-5162949591 [2,0,0,0,0,0|2,0,0]=4 2503 B3R0.2 CS(=O)O MCULE-8711306710 [2,0,0,0,0,0|2,0,0]=4 2504 B3R0.2 CS(=O)[O-] MCULE-1437194827 [2,0,0,0,0,0|2,0,0]=4 2505 B3R0.2 C[Ga](C)C MCULE-6013775603 [2,0,0,0,0,0|1,0,1]=4 2506 B3R0.2 C[In](C)C MCULE-1424187192 [2,0,0,0,0,0|1,0,1]=4 2507 B3R0.2 C[O+](C)C MCULE-2925451414 [2,0,0,0,0,0|1,0,1]=4 2508 B3R0.2 C[S+](C)Br MCULE-2734391695 [2,0,0,0,0,0|2,0,0]=4 2509 B3R0.2 C[S+](C)Br MCULE-6411921824 [2,0,0,0,0,0|2,0,0]=4 2510 B3R0.2 C[S+](C)C MCULE-5867625832 [2,0,0,0,0,0|1,0,1]=4 2511 B3R0.2 C[S+](C)C MCULE-7678314643 [2,0,0,0,0,0|1,0,1]=4 2512 B3R0.2 C[S+](C)C MCULE-8005905986 [2,0,0,0,0,0|1,0,1]=4 2513 B3R0.2 C[Se](=O)C MCULE-4596040471 [2,0,0,0,0,0|1,0,0]=3 2514 B3R0.2 C[Se](=O)O MCULE-5568767851 [2,0,0,0,0,0|2,0,0]=4 2515 B5R0.1 C#CCC(C)C MCULE-2506063278 [1,1,0,0,0,0|0,0,2]=4 2516 B5R0.1 C#CCC(C)N MCULE-1523044787 [1,1,0,0,0,0|1,0,1]=4 2517 B5R0.1 C#CCC(C)N MCULE-3399522488 [1,1,0,0,0,0|1,0,1]=4 2518 B5R0.1 C#CCC(C)O MCULE-2487589857 [1,1,0,0,0,0|0,0,2]=4 2519 B5R0.1 C(C)(N)CCC MCULE-4800297905 [1,1,0,0,0,0|1,0,0]=3 2520 B5R0.1 C(C)(N)CCC MCULE-7674864567 [1,1,0,0,0,0|1,0,0]=3 2521 B5R0.1 C(C)(N)CCO MCULE-5545469271 [1,1,0,0,0,0|1,0,0]=3 2522 B5R0.1 C/C=C/C(=O)C MCULE-2109656516 [1,1,0,0,0,0|0,0,2]=4 2523 B5R0.1 C/C=C/C(C)C MCULE-8705863155 [1,1,0,0,0,0|1,0,0]=3 2524 B5R0.1 C/C=C/C(C)O MCULE-3191147789 [1,1,0,0,0,0|0,0,2]=4 2525 B5R0.1 C=C(Br)CCBr MCULE-7638627279 [1,1,0,0,0,0|1,0,1]=4 2526 B5R0.1 C=C(Br)CCO MCULE-3743908958 [1,1,0,0,0,0|1,0,1]=4 2527 B5R0.1 C=C(Br)COC MCULE-5349428431 [1,1,0,0,0,0|1,0,1]=4 2528 B5R0.1 C=C(C)CCBr MCULE-3439794005 [1,1,0,0,0,0|0,0,1]=3 2529 B5R0.1 C=C(C)CCC MCULE-8225129744 [1,1,0,0,0,0|0,0,1]=3 2530 B5R0.1 C=C(C)CCCl MCULE-2816016781 [1,1,0,0,0,0|0,0,1]=3 2531 B5R0.1 C=C(C)CCI MCULE-6317205481 [1,1,0,0,0,0|0,0,1]=3 2532 B5R0.1 C=C(C)CCN MCULE-4037025602 [1,1,0,0,0,0|0,0,1]=3 2533 B5R0.1 C=C(C)CCN MCULE-5001503744 [1,1,0,0,0,0|0,0,1]=3 2534 B5R0.1 C=C(C)CCO MCULE-2689800711 [1,1,0,0,0,0|0,0,1]=3 2535 B5R0.1 C=C(C)CNC MCULE-6783886553 [1,1,0,0,0,0|0,0,1]=3 2536 B5R0.1 C=C(C)CNC MCULE-8292313282 [1,1,0,0,0,0|0,0,1]=3 2537 B5R0.1 C=C(C)CNN MCULE-1117931770 [1,1,0,0,0,0|1,0,1]=4 2538 B5R0.1 C=C(C)CON MCULE-2773974323 [1,1,0,0,0,0|1,0,1]=4 2539 B5R0.1 C=C(C)CON MCULE-5978680243 [1,1,0,0,0,0|1,0,1]=4 2540 B5R0.1 C=C(C)OCC MCULE-5303468686 [1,1,0,0,0,0|0,0,1]=3 2541 B5R0.1 C=CC=C(C)C MCULE-7590870659 [1,1,0,0,0,0|1,0,1]=4 2542 B5R0.1 C=CCC(=C)C MCULE-6294070836 [1,1,0,0,0,0|0,0,2]=4 2543 B5R0.1 C=CCC(C)Br MCULE-5638987302 [1,1,0,0,0,0|1,0,1]=4 2544 B5R0.1 C=CCC(C)C MCULE-4586731422 [1,1,0,0,0,0|1,0,0]=3 2545 B5R0.1 C=CCC(C)N MCULE-5354228552 [1,1,0,0,0,0|1,0,1]=4 2546 B5R0.1 C=CCC(C)N MCULE-9454660067 [1,1,0,0,0,0|1,0,1]=4 2547 B5R0.1 C=CCC(C)O MCULE-7724200334 [1,1,0,0,0,0|0,0,2]=4 2548 B5R0.1 C=CCC(C)O MCULE-9910771503 [1,1,0,0,0,0|0,0,2]=4 2549 B5R0.1 C=CCN(C)C MCULE-6958853335 [1,1,0,0,0,0|2,0,0]=4 2550 B5R0.1 C=CC[C@@H](C)O MCULE-1663575568 [1,1,0,0,0,0|0,0,2]=4 2551 B5R0.1 C=CC[C@@H](C)O MCULE-3971480179 [1,1,0,0,0,0|0,0,2]=4 2552 B5R0.1 C=CC[C@H](C)N MCULE-2398654329 [1,1,0,0,0,0|1,0,1]=4 2553 B5R0.1 C=CC[C@H](C)N MCULE-5817451810 [1,1,0,0,0,0|1,0,1]=4 2554 B5R0.1 C=CC[C@H](C)O MCULE-5783959808 [1,1,0,0,0,0|0,0,2]=4 2555 B5R0.1 C=CC[C@H](C)O MCULE-6146696600 [1,1,0,0,0,0|0,0,2]=4 2556 B5R0.1 C=COC(C)C MCULE-6339383821 [1,1,0,0,0,0|1,0,0]=3 2557 B5R0.1 CC#CC(=O)C MCULE-4083248904 [1,1,0,0,0,0|0,0,2]=4 2558 B5R0.1 CC#CC(C)C MCULE-9841369985 [1,1,0,0,0,0|0,0,2]=4 2559 B5R0.1 CC#CC(C)O MCULE-5523814936 [1,1,0,0,0,0|0,0,2]=4 2560 B5R0.1 CC(=CC#N)C MCULE-7179601066 [1,1,0,0,0,0|1,0,1]=4 2561 B5R0.1 CC(=CC=O)C MCULE-7002222435 [1,1,0,0,0,0|0,0,1]=3 2562 B5R0.1 CC(=CC=O)Cl MCULE-2279693190 [1,1,0,0,0,0|1,0,1]=4 2563 B5R0.1 CC(=CC=O)N MCULE-2659507627 [1,1,0,0,0,0|1,0,1]=4 2564 B5R0.1 CC(=CCBr)C MCULE-7961276795 [1,1,0,0,0,0|1,0,1]=4 2565 B5R0.1 CC(=CCCl)C MCULE-1110417103 [1,1,0,0,0,0|1,0,1]=4 2566 B5R0.1 CC(=CCN)C MCULE-7220252581 [1,1,0,0,0,0|1,0,1]=4 2567 B5R0.1 CC(=CCN)C MCULE-8394581250 [1,1,0,0,0,0|1,0,1]=4 2568 B5R0.1 CC(=CCO)C MCULE-3984123588 [1,1,0,0,0,0|0,0,2]=4 2569 B5R0.1 CC(=CCS)C MCULE-4180446913 [1,1,0,0,0,0|0,1,1]=4 2570 B5R0.1 CC(=O)C=C=O MCULE-4335598177 [1,1,0,0,0,0|1,0,1]=4 2571 B5R0.1 CC(=O)CC#N MCULE-7203242552 [1,1,0,0,0,0|0,0,2]=4 2572 B5R0.1 CC(=O)CCBr MCULE-2615300206 [1,1,0,0,0,0|0,0,1]=3 2573 B5R0.1 CC(=O)CCCl MCULE-8019748964 [1,1,0,0,0,0|0,0,1]=3 2574 B5R0.1 CC(=O)CCN MCULE-7550348751 [1,1,0,0,0,0|0,0,1]=3 2575 B5R0.1 CC(=O)CCN MCULE-9519063810 [1,1,0,0,0,0|0,0,1]=3 2576 B5R0.1 CC(=O)CCO MCULE-6328537335 [1,1,0,0,0,0|0,0,1]=3 2577 B5R0.1 CC(=O)NCO MCULE-4563335540 [1,1,0,0,0,0|1,0,1]=4 2578 B5R0.1 CC(=O)OCBr MCULE-9842804945 [1,1,0,0,0,0|1,0,1]=4 2579 B5R0.1 CC(=O)OCCl MCULE-6822222026 [1,1,0,0,0,0|1,0,1]=4 2580 B5R0.1 CC(=O)SCBr MCULE-9794607323 [1,1,0,0,0,0|1,0,1]=4 2581 B5R0.1 CC(Br)CC#N MCULE-6321379216 [1,1,0,0,0,0|1,0,1]=4 2582 B5R0.1 CC(Br)CCBr MCULE-1045475402 [1,1,0,0,0,0|1,0,0]=3 2583 B5R0.1 CC(C)/C=N/O MCULE-3201457095 [1,1,0,0,0,0|0,0,1]=3 2584 B5R0.1 CC(C)C=NO MCULE-9842574696 [1,1,0,0,0,0|0,0,1]=3 2585 B5R0.1 CC(C)CC#N MCULE-4346986727 [1,1,0,0,0,0|0,0,2]=4 2586 B5R0.1 CC(C)CC=O MCULE-2939497534 [1,1,0,0,0,0|0,0,0]=2 2587 B5R0.1 CC(C)CCBr MCULE-7163010428 [1,1,0,0,0,0|0,0,1]=3 2588 B5R0.1 CC(C)CCCl MCULE-8360122696 [1,1,0,0,0,0|0,0,1]=3 2589 B5R0.1 CC(C)CCCl MCULE-9017922949 [1,1,0,0,0,0|0,0,1]=3 2590 B5R0.1 CC(C)CCI MCULE-4934529500 [1,1,0,0,0,0|0,0,1]=3 2591 B5R0.1 CC(C)CCN MCULE-3081003576 [1,1,0,0,0,0|0,0,1]=3 2592 B5R0.1 CC(C)CCN MCULE-5118782389 [1,1,0,0,0,0|0,0,1]=3 2593 B5R0.1 CC(C)CCN MCULE-5217981670 [1,1,0,0,0,0|0,0,1]=3 2594 B5R0.1 CC(C)CCN MCULE-6280940933 [1,1,0,0,0,0|0,0,1]=3 2595 B5R0.1 CC(C)CCO MCULE-7411270401 [1,1,0,0,0,0|0,0,1]=3 2596 B5R0.1 CC(C)CCS MCULE-7115473363 [1,1,0,0,0,0|0,0,1]=3 2597 B5R0.1 CC(C)CNN MCULE-6797887001 [1,1,0,0,0,0|1,0,1]=4 2598 B5R0.1 CC(C)CNN MCULE-9592971233 [1,1,0,0,0,0|1,0,1]=4 2599 B5R0.1 CC(C)CNN MCULE-9725792452 [1,1,0,0,0,0|1,0,1]=4 2600 B5R0.1 CC(C)CON MCULE-3476786246 [1,1,0,0,0,0|0,0,2]=4 2601 B5R0.1 CC(C)CON MCULE-4450654727 [1,1,0,0,0,0|0,0,2]=4 2602 B5R0.1 CC(C)N=C=O MCULE-8392299675 [1,1,0,0,0,0|0,0,1]=3 2603 B5R0.1 CC(C)N=C=S MCULE-7689456429 [1,1,0,0,0,0|0,1,1]=4 2604 B5R0.1 CC(C)N=N#N MCULE-4920057169 [1,1,0,0,0,0|2,0,0]=4 2605 B5R0.1 CC(C)NC=O MCULE-1764010394 [1,1,0,0,0,0|0,0,0]=2 2606 B5R0.1 CC(C)OC=O MCULE-8263698122 [1,1,0,0,0,0|0,0,0]=2 2607 B5R0.1 CC(C)OCCl MCULE-3680602217 [1,1,0,0,0,0|1,0,1]=4 2608 B5R0.1 CC(C)SC#N MCULE-2480992384 [1,1,0,0,0,0|1,0,1]=4 2609 B5R0.1 CC(C)SCCl MCULE-3836735379 [1,1,0,0,0,0|1,0,1]=4 2610 B5R0.1 CC(Cl)CCCl MCULE-3656498608 [1,1,0,0,0,0|1,0,0]=3 2611 B5R0.1 CC(Cl)CCO MCULE-1955496242 [1,1,0,0,0,0|1,0,0]=3 2612 B5R0.1 CC(F)CCBr MCULE-3035340901 [1,1,0,0,0,0|1,0,0]=3 2613 B5R0.1 CC(F)CCI MCULE-6469250150 [1,1,0,0,0,0|1,0,0]=3 2614 B5R0.1 CC(F)CCN MCULE-2805813131 [1,1,0,0,0,0|1,0,0]=3 2615 B5R0.1 CC(F)CCN MCULE-5849913362 [1,1,0,0,0,0|1,0,0]=3 2616 B5R0.1 CC(N)CC#N MCULE-2350352782 [1,1,0,0,0,0|1,0,1]=4 2617 B5R0.1 CC(N)CC#N MCULE-7269201059 [1,1,0,0,0,0|1,0,1]=4 2618 B5R0.1 CC(N)CCN MCULE-5308134596 [1,1,0,0,0,0|1,0,0]=3 2619 B5R0.1 CC(N)CCN MCULE-5880045507 [1,1,0,0,0,0|1,0,0]=3 2620 B5R0.1 CC(N)CCN MCULE-7827515430 [1,1,0,0,0,0|1,0,0]=3 2621 B5R0.1 CC(N)CCO MCULE-1771399942 [1,1,0,0,0,0|1,0,0]=3 2622 B5R0.1 CC(N)CCO MCULE-7239872808 [1,1,0,0,0,0|1,0,0]=3 2623 B5R0.1 CC(O)CC#N MCULE-7172428142 [1,1,0,0,0,0|0,0,2]=4 2624 B5R0.1 CC(O)CCBr MCULE-7983169885 [1,1,0,0,0,0|0,0,1]=3 2625 B5R0.1 CC(O)CCCl MCULE-2952545606 [1,1,0,0,0,0|0,0,1]=3 2626 B5R0.1 CC(O)CCN MCULE-6836791276 [1,1,0,0,0,0|0,0,1]=3 2627 B5R0.1 CC(O)CCN MCULE-7186260925 [1,1,0,0,0,0|0,0,1]=3 2628 B5R0.1 CC(O)CCO MCULE-1694239851 [1,1,0,0,0,0|0,0,1]=3 2629 B5R0.1 CC(O)CCO MCULE-7784884948 [1,1,0,0,0,0|0,0,1]=3 2630 B5R0.1 CC(O)CNN MCULE-4956670781 [1,1,0,0,0,0|1,0,1]=4 2631 B5R0.1 CC(O)CNN MCULE-7917439573 [1,1,0,0,0,0|1,0,1]=4 2632 B5R0.1 CC(O)CON MCULE-1051091134 [1,1,0,0,0,0|1,0,1]=4 2633 B5R0.1 CC(O)CON MCULE-6722092589 [1,1,0,0,0,0|1,0,1]=4 2634 B5R0.1 CC(S)CCO MCULE-5702212503 [1,1,0,0,0,0|0,1,0]=3 2635 B5R0.1 CC=CC(=O)C MCULE-4826977340 [1,1,0,0,0,0|0,0,2]=4 2636 B5R0.1 CC=CC(C)C MCULE-9898453837 [1,1,0,0,0,0|1,0,0]=3 2637 B5R0.1 CC=CC(C)O MCULE-4806592836 [1,1,0,0,0,0|0,0,2]=4 2638 B5R0.1 CC=NN(C)C MCULE-7039280578 [1,1,0,0,0,0|2,0,0]=4 2639 B5R0.1 CCC=C(C)C MCULE-2405063894 [1,1,0,0,0,0|0,0,2]=4 2640 B5R0.1 CCCC(=O)C MCULE-7174095676 [1,1,0,0,0,0|0,0,1]=3 2641 B5R0.1 CCCC(=O)Cl MCULE-3288175193 [1,1,0,0,0,0|1,0,1]=4 2642 B5R0.1 CCCC(=O)N MCULE-2712067671 [1,1,0,0,0,0|1,0,1]=4 2643 B5R0.1 CCCC(=O)O MCULE-4116382006 [1,1,0,0,0,0|1,0,1]=4 2644 B5R0.1 CCCC(=O)[O-] MCULE-8706538802 [1,1,0,0,0,0|1,0,1]=4 2645 B5R0.1 CCCC(=O)[O-] MCULE-9764702574 [1,1,0,0,0,0|1,0,1]=4 2646 B5R0.1 CCCC(C)Br MCULE-3178073667 [1,1,0,0,0,0|1,0,0]=3 2647 B5R0.1 CCCC(C)C MCULE-9604552974 [1,1,0,0,0,0|0,0,1]=3 2648 B5R0.1 CCCC(C)N MCULE-2640298430 [1,1,0,0,0,0|1,0,0]=3 2649 B5R0.1 CCCC(C)N MCULE-7225905167 [1,1,0,0,0,0|1,0,0]=3 2650 B5R0.1 CCCC(C)O MCULE-8205906299 [1,1,0,0,0,0|0,0,1]=3 2651 B5R0.1 CCCC(C)S MCULE-1649095713 [1,1,0,0,0,0|0,1,0]=3 2652 B5R0.1 CCCC(O)Cl MCULE-3188577082 [1,1,0,0,0,0|1,0,1]=4 2653 B5R0.1 CCCN(=O)=O MCULE-5615753372 [1,1,0,0,0,0|2,0,0]=4 2654 B5R0.1 CCCN(C)C MCULE-8702643596 [1,1,0,0,0,0|1,0,1]=4 2655 B5R0.1 CCCS(=O)[O-] MCULE-4306915022 [1,1,0,0,0,0|2,0,0]=4 2656 B5R0.1 CCCS(=O)[O-] MCULE-9775151913 [1,1,0,0,0,0|2,0,0]=4 2657 B5R0.1 CCC[C@@H](C)N MCULE-2394536966 [1,1,0,0,0,0|1,0,0]=3 2658 B5R0.1 CCC[C@@H](C)N MCULE-3008898216 [1,1,0,0,0,0|1,0,0]=3 2659 B5R0.1 CCC[C@@H](C)N MCULE-5656861143 [1,1,0,0,0,0|1,0,0]=3 2660 B5R0.1 CCC[C@@H](C)N MCULE-8113159645 [1,1,0,0,0,0|1,0,0]=3 2661 B5R0.1 CCC[C@@H](C)O MCULE-1540573875 [1,1,0,0,0,0|0,0,1]=3 2662 B5R0.1 CCC[C@H](C)N MCULE-2068574015 [1,1,0,0,0,0|1,0,0]=3 2663 B5R0.1 CCC[C@H](C)N MCULE-3439133019 [1,1,0,0,0,0|1,0,0]=3 2664 B5R0.1 CCC[C@H](C)N MCULE-5495177657 [1,1,0,0,0,0|1,0,0]=3 2665 B5R0.1 CCC[C@H](C)N MCULE-7962028651 [1,1,0,0,0,0|1,0,0]=3 2666 B5R0.1 CCC[C@H](C)O MCULE-6976816276 [1,1,0,0,0,0|0,0,1]=3 2667 B5R0.1 CCNC(=O)C MCULE-7543656350 [1,1,0,0,0,0|0,0,1]=3 2668 B5R0.1 CCNC(=O)Cl MCULE-5831262934 [1,1,0,0,0,0|1,0,1]=4 2669 B5R0.1 CCNC(=O)N MCULE-1913599861 [1,1,0,0,0,0|1,0,1]=4 2670 B5R0.1 CCNC(C)C MCULE-8064118469 [1,1,0,0,0,0|0,0,1]=3 2671 B5R0.1 CCOC(=N)C MCULE-3060267072 [1,1,0,0,0,0|1,0,1]=4 2672 B5R0.1 CCOC(=N)C MCULE-3943786182 [1,1,0,0,0,0|1,0,1]=4 2673 B5R0.1 CCOC(=O)C MCULE-6628539781 [1,1,0,0,0,0|0,0,1]=3 2674 B5R0.1 CCOC(=O)Cl MCULE-4167904934 [1,1,0,0,0,0|1,0,1]=4 2675 B5R0.1 CCOC(=O)N MCULE-1776877276 [1,1,0,0,0,0|1,0,1]=4 2676 B5R0.1 CCOC(=S)C MCULE-3358897597 [1,1,0,0,0,0|0,1,1]=4 2677 B5R0.1 CCOC(C)C MCULE-1934548340 [1,1,0,0,0,0|0,0,1]=3 2678 B5R0.1 CCOC(C)Cl MCULE-8486994638 [1,1,0,0,0,0|1,0,0]=3 2679 B5R0.1 CCSC(=O)C MCULE-8015440229 [1,1,0,0,0,0|0,0,1]=3 2680 B5R0.1 CCSC(=S)C MCULE-1502137460 [1,1,0,0,0,0|0,1,1]=4 2681 B5R0.1 CCSC(C)C MCULE-3738251898 [1,1,0,0,0,0|0,0,1]=3 2682 B5R0.1 CN(C)CC=O MCULE-1229218563 [1,1,0,0,0,0|1,0,0]=3 2683 B5R0.1 CN(C)CC=O MCULE-3577561950 [1,1,0,0,0,0|1,0,0]=3 2684 B5R0.1 CN(C)CC=O MCULE-4493766862 [1,1,0,0,0,0|1,0,0]=3 2685 B5R0.1 CN(C)CC=O MCULE-8123455398 [1,1,0,0,0,0|1,0,0]=3 2686 B5R0.1 CN(C)CCBr MCULE-4844398053 [1,1,0,0,0,0|1,0,1]=4 2687 B5R0.1 CN(C)CCCl MCULE-4297554717 [1,1,0,0,0,0|1,0,1]=4 2688 B5R0.1 CN(C)CCCl MCULE-4465544992 [1,1,0,0,0,0|1,0,1]=4 2689 B5R0.1 CN(C)CCI MCULE-4687894526 [1,1,0,0,0,0|1,0,1]=4 2690 B5R0.1 CN(C)CCI MCULE-7464680246 [1,1,0,0,0,0|1,0,1]=4 2691 B5R0.1 CN(C)CCI MCULE-9051868668 [1,1,0,0,0,0|1,0,1]=4 2692 B5R0.1 CN(C)CCN MCULE-6693759372 [1,1,0,0,0,0|1,0,1]=4 2693 B5R0.1 CN(C)CCN MCULE-6929925748 [1,1,0,0,0,0|1,0,1]=4 2694 B5R0.1 CN(C)CCN MCULE-7881547574 [1,1,0,0,0,0|1,0,1]=4 2695 B5R0.1 CN(C)CCO MCULE-5715813465 [1,1,0,0,0,0|1,0,1]=4 2696 B5R0.1 CN(C)CCO MCULE-7567469160 [1,1,0,0,0,0|1,0,1]=4 2697 B5R0.1 CN(C)CCO MCULE-9024108074 [1,1,0,0,0,0|1,0,1]=4 2698 B5R0.1 CN(C)CCS MCULE-4356815596 [1,1,0,0,0,0|1,0,1]=4 2699 B5R0.1 CN(C)CCS MCULE-4611688723 [1,1,0,0,0,0|1,0,1]=4 2700 B5R0.1 CN(C)CCS MCULE-6259585517 [1,1,0,0,0,0|1,0,1]=4 2701 B5R0.1 CN(C)NC=O MCULE-1557896286 [1,1,0,0,0,0|1,0,0]=3 2702 B5R0.1 CN(N)CCN MCULE-2782966878 [1,1,0,0,0,0|2,0,0]=4 2703 B5R0.1 CN=CN(C)C MCULE-2522407175 [1,1,0,0,0,0|2,0,0]=4 2704 B5R0.1 CNCC(=O)C MCULE-3695443024 [1,1,0,0,0,0|0,0,1]=3 2705 B5R0.1 CNCC(=O)C MCULE-7402723072 [1,1,0,0,0,0|0,0,1]=3 2706 B5R0.1 CNCC(=O)N MCULE-2328887394 [1,1,0,0,0,0|1,0,1]=4 2707 B5R0.1 CNCC(=O)N MCULE-3031605853 [1,1,0,0,0,0|1,0,1]=4 2708 B5R0.1 CNCC(=O)N MCULE-7300977677 [1,1,0,0,0,0|1,0,1]=4 2709 B5R0.1 CNCC(=O)O MCULE-3448356048 [1,1,0,0,0,0|1,0,1]=4 2710 B5R0.1 CNCC(=O)O MCULE-4484444573 [1,1,0,0,0,0|1,0,1]=4 2711 B5R0.1 CNCC(=O)[O-] MCULE-7993701866 [1,1,0,0,0,0|1,0,1]=4 2712 B5R0.1 CNCC(C)C MCULE-6582386339 [1,1,0,0,0,0|0,0,1]=3 2713 B5R0.1 CNCC(C)C MCULE-6856717783 [1,1,0,0,0,0|0,0,1]=3 2714 B5R0.1 CNCC(C)F MCULE-4381138647 [1,1,0,0,0,0|1,0,0]=3 2715 B5R0.1 CNCC(C)F MCULE-9018181183 [1,1,0,0,0,0|1,0,0]=3 2716 B5R0.1 CNCC(C)O MCULE-3671071529 [1,1,0,0,0,0|0,0,1]=3 2717 B5R0.1 CNCC(C)O MCULE-4171705304 [1,1,0,0,0,0|0,0,1]=3 2718 B5R0.1 CNCC(Cl)Cl MCULE-1176483469 [1,1,0,0,0,0|2,0,0]=4 2719 B5R0.1 CNCC(Cl)Cl MCULE-8474434261 [1,1,0,0,0,0|2,0,0]=4 2720 B5R0.1 CNCC(F)F MCULE-3004221847 [1,1,0,0,0,0|2,0,0]=4 2721 B5R0.1 CNCC(F)F MCULE-5997956111 [1,1,0,0,0,0|2,0,0]=4 2722 B5R0.1 CNC[C@@H](C)O MCULE-2953164520 [1,1,0,0,0,0|0,0,1]=3 2723 B5R0.1 CNC[C@@H](C)O MCULE-3161721140 [1,1,0,0,0,0|0,0,1]=3 2724 B5R0.1 CNC[C@@H](C)O MCULE-6218150837 [1,1,0,0,0,0|0,0,1]=3 2725 B5R0.1 CNC[C@@H](C)O MCULE-8245274547 [1,1,0,0,0,0|0,0,1]=3 2726 B5R0.1 CNC[C@H](C)O MCULE-2655303492 [1,1,0,0,0,0|0,0,1]=3 2727 B5R0.1 CNC[C@H](C)O MCULE-7346940457 [1,1,0,0,0,0|0,0,1]=3 2728 B5R0.1 CNOC(=O)C MCULE-1464426541 [1,1,0,0,0,0|1,0,1]=4 2729 B5R0.1 CNOC(=O)C MCULE-2976282666 [1,1,0,0,0,0|1,0,1]=4 2730 B5R0.1 COC=C(C)C MCULE-6348538911 [1,1,0,0,0,0|0,0,2]=4 2731 B5R0.1 COCC(=O)C MCULE-7262197587 [1,1,0,0,0,0|0,0,1]=3 2732 B5R0.1 COCC(=O)Cl MCULE-5449267495 [1,1,0,0,0,0|1,0,1]=4 2733 B5R0.1 COCC(=O)N MCULE-6674958132 [1,1,0,0,0,0|1,0,1]=4 2734 B5R0.1 COCC(=O)O MCULE-3945589151 [1,1,0,0,0,0|1,0,1]=4 2735 B5R0.1 COCC(C)Br MCULE-6850689931 [1,1,0,0,0,0|1,0,0]=3 2736 B5R0.1 COCC(C)I MCULE-8608265714 [1,1,0,0,0,0|1,0,0]=3 2737 B5R0.1 COCC(C)N MCULE-1896873634 [1,1,0,0,0,0|1,0,0]=3 2738 B5R0.1 COCC(C)N MCULE-2549420211 [1,1,0,0,0,0|1,0,0]=3 2739 B5R0.1 COCC(C)N MCULE-3490410444 [1,1,0,0,0,0|1,0,0]=3 2740 B5R0.1 COCC(C)N MCULE-7089888882 [1,1,0,0,0,0|1,0,0]=3 2741 B5R0.1 COCC(C)O MCULE-4022733014 [1,1,0,0,0,0|0,0,1]=3 2742 B5R0.1 COCC(C)O MCULE-7513310960 [1,1,0,0,0,0|0,0,1]=3 2743 B5R0.1 COCN(C)C MCULE-1963225930 [1,1,0,0,0,0|1,0,1]=4 2744 B5R0.1 COC[C@@H](C)N MCULE-1225912236 [1,1,0,0,0,0|1,0,0]=3 2745 B5R0.1 COC[C@@H](C)N MCULE-2754628271 [1,1,0,0,0,0|1,0,0]=3 2746 B5R0.1 COC[C@@H](C)N MCULE-4676764915 [1,1,0,0,0,0|1,0,0]=3 2747 B5R0.1 COC[C@@H](C)N MCULE-8891950737 [1,1,0,0,0,0|1,0,0]=3 2748 B5R0.1 COC[C@@H](C)O MCULE-6287552520 [1,1,0,0,0,0|0,0,1]=3 2749 B5R0.1 COC[C@@H](C)O MCULE-7942118801 [1,1,0,0,0,0|0,0,1]=3 2750 B5R0.1 COC[C@H](C)N MCULE-2465679418 [1,1,0,0,0,0|1,0,0]=3 2751 B5R0.1 COC[C@H](C)N MCULE-2998593539 [1,1,0,0,0,0|1,0,0]=3 2752 B5R0.1 COC[C@H](C)N MCULE-3161045661 [1,1,0,0,0,0|1,0,0]=3 2753 B5R0.1 COC[C@H](C)N MCULE-9550165578 [1,1,0,0,0,0|1,0,0]=3 2754 B5R0.1 COC[C@H](C)O MCULE-5908531683 [1,1,0,0,0,0|0,0,1]=3 2755 B5R0.1 COC[C@H](C)O MCULE-8619138238 [1,1,0,0,0,0|0,0,1]=3 2756 B5R0.1 CONC(=O)C MCULE-6601866630 [1,1,0,0,0,0|1,0,1]=4 2757 B5R0.1 CS(=O)CC#N MCULE-1246621507 [1,1,0,0,0,0|1,0,1]=4 2758 B5R0.1 CS(=O)CCBr MCULE-7846126230 [1,1,0,0,0,0|1,0,0]=3 2759 B5R0.1 CS(=O)CCCl MCULE-7012781505 [1,1,0,0,0,0|1,0,0]=3 2760 B5R0.1 CS(=O)CCN MCULE-6497874560 [1,1,0,0,0,0|1,0,0]=3 2761 B5R0.1 CS(=O)CCN MCULE-8275663766 [1,1,0,0,0,0|1,0,0]=3 2762 B5R0.1 CS(=O)CCN MCULE-8330490290 [1,1,0,0,0,0|1,0,0]=3 2763 B5R0.1 CS(=O)CCO MCULE-8331553582 [1,1,0,0,0,0|1,0,0]=3 2764 B5R0.1 CSC=[N+](C)C MCULE-3818988576 [1,1,0,0,0,0|1,1,0]=4 2765 B5R0.1 CSC=[N+](C)C MCULE-8015580251 [1,1,0,0,0,0|1,1,0]=4 2766 B5R0.1 CSCC(=O)C MCULE-4131794172 [1,1,0,0,0,0|0,0,1]=3 2767 B5R0.1 CSCC(=O)Cl MCULE-9750052685 [1,1,0,0,0,0|1,0,1]=4 2768 B5R0.1 CSCC(=O)N MCULE-4865579476 [1,1,0,0,0,0|1,0,1]=4 2769 B5R0.1 CSCC(=O)O MCULE-7003418159 [1,1,0,0,0,0|1,0,1]=4 2770 B5R0.1 CSCC(C)N MCULE-7985946030 [1,1,0,0,0,0|1,0,0]=3 2771 B5R0.1 CSCC(C)O MCULE-2227652351 [1,1,0,0,0,0|0,0,1]=3 2772 B5R0.1 CSCN(C)C MCULE-2931143051 [1,1,0,0,0,0|1,0,1]=4 2773 B5R0.1 CSCS(=O)C MCULE-3167702486 [1,1,0,0,0,0|1,0,0]=3 2774 B5R0.1 CSNC(=O)C MCULE-7350061514 [1,1,0,0,0,0|1,0,1]=4 2775 B5R0.1 C[C@@H](N)CC#N MCULE-1923686728 [1,1,0,0,0,0|1,0,1]=4 2776 B5R0.1 C[C@@H](N)CC#N MCULE-5694530830 [1,1,0,0,0,0|1,0,1]=4 2777 B5R0.1 C[C@@H](N)CC#N MCULE-8880445785 [1,1,0,0,0,0|1,0,1]=4 2778 B5R0.1 C[C@@H](N)CC#N MCULE-9410509782 [1,1,0,0,0,0|1,0,1]=4 2779 B5R0.1 C[C@@H](N)CCO MCULE-4224878672 [1,1,0,0,0,0|1,0,0]=3 2780 B5R0.1 C[C@@H](N)CCO MCULE-5727539473 [1,1,0,0,0,0|1,0,0]=3 2781 B5R0.1 C[C@@H](O)CC#N MCULE-2879004464 [1,1,0,0,0,0|0,0,2]=4 2782 B5R0.1 C[C@@H](O)CCN MCULE-7588849994 [1,1,0,0,0,0|0,0,1]=3 2783 B5R0.1 C[C@@H](O)CCN MCULE-7895006310 [1,1,0,0,0,0|0,0,1]=3 2784 B5R0.1 C[C@@H](O)CCN MCULE-9071323255 [1,1,0,0,0,0|0,0,1]=3 2785 B5R0.1 C[C@@H](O)CCN MCULE-9627550610 [1,1,0,0,0,0|0,0,1]=3 2786 B5R0.1 C[C@@H](O)CCO MCULE-6277947442 [1,1,0,0,0,0|0,0,1]=3 2787 B5R0.1 C[C@@H](O)CCO MCULE-9742368348 [1,1,0,0,0,0|0,0,1]=3 2788 B5R0.1 C[C@@H](O)CON MCULE-3740397343 [1,1,0,0,0,0|1,0,1]=4 2789 B5R0.1 C[C@@H](O)CON MCULE-8274376872 [1,1,0,0,0,0|1,0,1]=4 2790 B5R0.1 C[C@H](N)CC#N MCULE-1876010727 [1,1,0,0,0,0|1,0,1]=4 2791 B5R0.1 C[C@H](N)CC#N MCULE-6927344020 [1,1,0,0,0,0|1,0,1]=4 2792 B5R0.1 C[C@H](N)CC#N MCULE-9082410813 [1,1,0,0,0,0|1,0,1]=4 2793 B5R0.1 C[C@H](N)CC#N MCULE-9498047771 [1,1,0,0,0,0|1,0,1]=4 2794 B5R0.1 C[C@H](N)CCO MCULE-1496375567 [1,1,0,0,0,0|1,0,0]=3 2795 B5R0.1 C[C@H](N)CCO MCULE-4744824708 [1,1,0,0,0,0|1,0,0]=3 2796 B5R0.1 C[C@H](N)CCO MCULE-7219173683 [1,1,0,0,0,0|1,0,0]=3 2797 B5R0.1 C[C@H](N)CCO MCULE-9164942837 [1,1,0,0,0,0|1,0,0]=3 2798 B5R0.1 C[C@H](O)CC#N MCULE-1968982761 [1,1,0,0,0,0|0,0,2]=4 2799 B5R0.1 C[C@H](O)CCN MCULE-7570743309 [1,1,0,0,0,0|0,0,1]=3 2800 B5R0.1 C[C@H](O)CCN MCULE-9428853702 [1,1,0,0,0,0|0,0,1]=3 2801 B5R0.1 C[C@H](O)CCO MCULE-2504912618 [1,1,0,0,0,0|0,0,1]=3 2802 B5R0.1 C[C@H](O)CCO MCULE-2958119786 [1,1,0,0,0,0|0,0,1]=3 2803 B5R0.1 C[C@H](O)CON MCULE-4216605221 [1,1,0,0,0,0|1,0,1]=4 2804 B5R0.1 C[C@H](O)CON MCULE-9863094719 [1,1,0,0,0,0|1,0,1]=4 2805 B5R0.1 C[NH+](C)CCBr MCULE-4990293495 [1,1,0,0,0,0|1,0,1]=4 2806 B5R0.1 C[S+](C)CCCl MCULE-1305595131 [1,1,0,0,0,0|1,0,1]=4 2807 B5R0.1 C[S+](C)CCCl MCULE-9761617787 [1,1,0,0,0,0|1,0,1]=4 2808 B5R0.1 C[S@@](=O)CCO MCULE-4485824334 [1,1,0,0,0,0|1,0,0]=3 2809 B5R0.1 NC(=O)CCBr MCULE-3930714776 [1,1,0,0,0,0|1,0,1]=4 2810 B5R0.1 NC(=O)CCCl MCULE-8300320959 [1,1,0,0,0,0|1,0,1]=4 2811 B5R0.1 NC(=O)CCO MCULE-4026170350 [1,1,0,0,0,0|1,0,1]=4 2812 B5R0.1 NC(=O)CCS MCULE-7451827717 [1,1,0,0,0,0|1,0,1]=4 2813 B5R0.1 NCCC(=O)Cl MCULE-1298355499 [1,1,0,0,0,0|1,0,1]=4 2814 B5R0.1 NCCC(=O)N MCULE-2899414135 [1,1,0,0,0,0|1,0,1]=4 2815 B5R0.1 NCCC(=O)N MCULE-6993286668 [1,1,0,0,0,0|1,0,1]=4 2816 B5R0.1 NCCC(=O)O MCULE-1344289084 [1,1,0,0,0,0|1,0,1]=4 2817 B5R0.1 NCCC(=O)O MCULE-2298605337 [1,1,0,0,0,0|1,0,1]=4 2818 B5R0.1 NCCC(=O)O MCULE-9375577631 [1,1,0,0,0,0|1,0,1]=4 2819 B5R0.1 NCCC(=O)[O-] MCULE-2492250086 [1,1,0,0,0,0|1,0,1]=4 2820 B5R0.1 NCCC(F)F MCULE-3610134573 [1,1,0,0,0,0|2,0,0]=4 2821 B5R0.1 NCCC(F)F MCULE-5561095460 [1,1,0,0,0,0|2,0,0]=4 2822 B5R0.1 NCCN(=O)=O MCULE-8137427440 [1,1,0,0,0,0|2,0,0]=4 2823 B5R0.1 NCCP(=O)O MCULE-7093964616 [1,1,0,0,0,0|2,0,0]=4 2824 B5R0.1 NCCS(=O)O MCULE-4372248641 [1,1,0,0,0,0|2,0,0]=4 2825 B5R0.1 O=C(Cl)CCBr MCULE-4659506608 [1,1,0,0,0,0|1,0,1]=4 2826 B5R0.1 O=C(Cl)CCCl MCULE-3313924878 [1,1,0,0,0,0|1,0,1]=4 2827 B5R0.1 O=C(Cl)CCF MCULE-3316397790 [1,1,0,0,0,0|1,0,1]=4 2828 B5R0.1 O=C(O)CCBr MCULE-2816055853 [1,1,0,0,0,0|1,0,1]=4 2829 B5R0.1 O=C(O)CCCl MCULE-8511144183 [1,1,0,0,0,0|1,0,1]=4 2830 B5R0.1 O=C(O)CCF MCULE-4382025684 [1,1,0,0,0,0|1,0,1]=4 2831 B5R0.1 O=C(O)CCI MCULE-3371354708 [1,1,0,0,0,0|1,0,1]=4 2832 B5R0.1 O=C(O)CCO MCULE-3428604829 [1,1,0,0,0,0|1,0,1]=4 2833 B5R0.1 O=C(O)CCS MCULE-3211932163 [1,1,0,0,0,0|1,0,1]=4 2834 B5R0.1 O=C([O-])CCO MCULE-4429611588 [1,1,0,0,0,0|1,0,1]=4 2835 B5R0.1 O=N(=O)CCO MCULE-2060841405 [1,1,0,0,0,0|2,0,0]=4 2836 B5R0.1 O=N(=O)CCS MCULE-4845430658 [1,1,0,0,0,0|2,0,0]=4 2837 B5R0.1 OCCC(F)F MCULE-9207688926 [1,1,0,0,0,0|2,0,0]=4 2838 B5R0.1 [C@@H](C)(O)CCC MCULE-9717120293 [1,1,0,0,0,0|0,0,1]=3 2839 B5R0.1 [C@@H](C)(O)CNC MCULE-2044067921 [1,1,0,0,0,0|0,0,1]=3 2840 B5R0.1 [C@H](C)(O)CC#N MCULE-6894178072 [1,1,0,0,0,0|0,0,2]=4 2841 B5R0.1 [C@H](C)(O)CCC MCULE-2689023898 [1,1,0,0,0,0|0,0,1]=3 2842 B5R0.1 [NH+](=CN(C)C)C MCULE-8771175095 [1,1,0,0,0,0|2,0,0]=4 2843 B5R0.4 C#CC(C)(C)Br MCULE-7564666708 [1,1,0,0,0,0|1,0,1]=4 2844 B5R0.4 C#CC(C)(C)C MCULE-9881326433 [1,1,0,0,0,0|1,0,1]=4 2845 B5R0.4 C#CC(C)(C)Cl MCULE-2301504796 [1,1,0,0,0,0|1,0,1]=4 2846 B5R0.4 C#CC(C)(C)N MCULE-3908309106 [1,1,0,0,0,0|1,0,1]=4 2847 B5R0.4 C#CC(C)(C)N MCULE-4795277170 [1,1,0,0,0,0|1,0,1]=4 2848 B5R0.4 C#CC(C)(C)O MCULE-7045265182 [1,1,0,0,0,0|1,0,1]=4 2849 B5R0.4 C=CC(C)(C)C MCULE-9118431864 [1,1,0,0,0,0|1,0,0]=3 2850 B5R0.4 C=CC(C)(C)Cl MCULE-4502558407 [1,1,0,0,0,0|1,0,0]=3 2851 B5R0.4 C=CC(C)(C)N MCULE-2016559865 [1,1,0,0,0,0|1,0,0]=3 2852 B5R0.4 C=CC(C)(C)N MCULE-2690537002 [1,1,0,0,0,0|1,0,0]=3 2853 B5R0.4 C=CC(C)(C)O MCULE-5809739830 [1,1,0,0,0,0|1,0,0]=3 2854 B5R0.4 C=CC(C)(Cl)Cl MCULE-7431364327 [1,1,0,0,0,0|2,0,0]=4 2855 B5R0.4 C=C[N+](C)(C)C MCULE-1874033627 [1,1,0,0,0,0|2,0,0]=4 2856 B5R0.4 C=C[N+](C)(C)C MCULE-3871229486 [1,1,0,0,0,0|2,0,0]=4 2857 B5R0.4 C=C[Si](C)(C)C MCULE-1884850322 [1,1,0,0,0,0|1,1,0]=4 2858 B5R0.4 C=C[Si](C)(C)Cl MCULE-3962013421 [1,1,0,0,0,0|1,1,0]=4 2859 B5R0.4 CC(C)(Br)C#N MCULE-3037751424 [1,1,0,0,0,0|1,0,1]=4 2860 B5R0.4 CC(C)(Br)C=O MCULE-8695321251 [1,1,0,0,0,0|0,0,0]=2 2861 B5R0.4 CC(C)(Br)CBr MCULE-2393829265 [1,1,0,0,0,0|1,0,1]=4 2862 B5R0.4 CC(C)(Br)CCl MCULE-4498591413 [1,1,0,0,0,0|1,0,1]=4 2863 B5R0.4 CC(C)(Br)CN MCULE-3220115637 [1,1,0,0,0,0|1,0,1]=4 2864 B5R0.4 CC(C)(Br)CN MCULE-3391853433 [1,1,0,0,0,0|1,0,1]=4 2865 B5R0.4 CC(C)(Br)CN MCULE-3819869078 [1,1,0,0,0,0|1,0,1]=4 2866 B5R0.4 CC(C)(Br)CO MCULE-5949221311 [1,1,0,0,0,0|0,0,2]=4 2867 B5R0.4 CC(C)(C)C#N MCULE-9460858712 [1,1,0,0,0,0|1,0,1]=4 2868 B5R0.4 CC(C)(C)C=O MCULE-6866358966 [1,1,0,0,0,0|0,0,0]=2 2869 B5R0.4 CC(C)(C)CBr MCULE-7545541733 [1,1,0,0,0,0|1,0,1]=4 2870 B5R0.4 CC(C)(C)CCl MCULE-1595599055 [1,1,0,0,0,0|1,0,1]=4 2871 B5R0.4 CC(C)(C)CI MCULE-6879787789 [1,1,0,0,0,0|1,0,1]=4 2872 B5R0.4 CC(C)(C)CN MCULE-1062894260 [1,1,0,0,0,0|1,0,1]=4 2873 B5R0.4 CC(C)(C)CN MCULE-2736289460 [1,1,0,0,0,0|1,0,1]=4 2874 B5R0.4 CC(C)(C)CN MCULE-5919012916 [1,1,0,0,0,0|1,0,1]=4 2875 B5R0.4 CC(C)(C)CN MCULE-6772338754 [1,1,0,0,0,0|1,0,1]=4 2876 B5R0.4 CC(C)(C)CN MCULE-8882959753 [1,1,0,0,0,0|1,0,1]=4 2877 B5R0.4 CC(C)(C)CO MCULE-4399535684 [1,1,0,0,0,0|0,0,2]=4 2878 B5R0.4 CC(C)(C)CS MCULE-7279455818 [1,1,0,0,0,0|0,1,1]=4 2879 B5R0.4 CC(C)(C)N=O MCULE-9098145731 [1,1,0,0,0,0|1,0,0]=3 2880 B5R0.4 CC(C)(C)NN MCULE-5464543607 [1,1,0,0,0,0|2,0,0]=4 2881 B5R0.4 CC(C)(C)NN MCULE-7962318499 [1,1,0,0,0,0|2,0,0]=4 2882 B5R0.4 CC(C)(C)NO MCULE-4676405280 [1,1,0,0,0,0|1,0,1]=4 2883 B5R0.4 CC(C)(C)NO MCULE-6482556352 [1,1,0,0,0,0|1,0,1]=4 2884 B5R0.4 CC(C)(C)NO MCULE-7368313644 [1,1,0,0,0,0|1,0,1]=4 2885 B5R0.4 CC(C)(C)ON MCULE-4114810129 [1,1,0,0,0,0|2,0,0]=4 2886 B5R0.4 CC(C)(C)ON MCULE-8439583419 [1,1,0,0,0,0|2,0,0]=4 2887 B5R0.4 CC(C)(C)OO MCULE-2835127745 [1,1,0,0,0,0|1,0,1]=4 2888 B5R0.4 CC(C)(C)O[NH3+] MCULE-3812247399 [1,1,0,0,0,0|2,0,0]=4 2889 B5R0.4 CC(C)(C)O[NH3+] MCULE-9310624088 [1,1,0,0,0,0|2,0,0]=4 2890 B5R0.4 CC(C)(Cl)CCl MCULE-3251179033 [1,1,0,0,0,0|1,0,1]=4 2891 B5R0.4 CC(C)(F)C=O MCULE-4323838362 [1,1,0,0,0,0|0,0,0]=2 2892 B5R0.4 CC(C)(F)CBr MCULE-3412419931 [1,1,0,0,0,0|1,0,1]=4 2893 B5R0.4 CC(C)(F)CI MCULE-8224019070 [1,1,0,0,0,0|1,0,1]=4 2894 B5R0.4 CC(C)(F)CN MCULE-3150098249 [1,1,0,0,0,0|1,0,1]=4 2895 B5R0.4 CC(C)(F)CN MCULE-8647719519 [1,1,0,0,0,0|1,0,1]=4 2896 B5R0.4 CC(C)(F)CO MCULE-1700621997 [1,1,0,0,0,0|0,0,2]=4 2897 B5R0.4 CC(C)(I)C#N MCULE-4123663068 [1,1,0,0,0,0|1,0,1]=4 2898 B5R0.4 CC(C)(N)C#N MCULE-4837687196 [1,1,0,0,0,0|1,0,1]=4 2899 B5R0.4 CC(C)(N)C#N MCULE-7947575054 [1,1,0,0,0,0|1,0,1]=4 2900 B5R0.4 CC(C)(N)CCl MCULE-2098848089 [1,1,0,0,0,0|1,0,1]=4 2901 B5R0.4 CC(C)(N)CCl MCULE-2847180011 [1,1,0,0,0,0|1,0,1]=4 2902 B5R0.4 CC(C)(N)CF MCULE-3102233948 [1,1,0,0,0,0|1,0,1]=4 2903 B5R0.4 CC(C)(N)CF MCULE-9737357598 [1,1,0,0,0,0|1,0,1]=4 2904 B5R0.4 CC(C)(N)CN MCULE-4218187677 [1,1,0,0,0,0|1,0,1]=4 2905 B5R0.4 CC(C)(N)CN MCULE-6476068080 [1,1,0,0,0,0|1,0,1]=4 2906 B5R0.4 CC(C)(N)CO MCULE-4072416202 [1,1,0,0,0,0|0,0,2]=4 2907 B5R0.4 CC(C)(N)CO MCULE-4209651459 [1,1,0,0,0,0|0,0,2]=4 2908 B5R0.4 CC(C)(N)CO MCULE-6047079177 [1,1,0,0,0,0|0,0,2]=4 2909 B5R0.4 CC(C)(O)C#N MCULE-7494613383 [1,1,0,0,0,0|1,0,1]=4 2910 B5R0.4 CC(C)(O)C=O MCULE-2581637282 [1,1,0,0,0,0|0,0,0]=2 2911 B5R0.4 CC(C)(O)CBr MCULE-6366129174 [1,1,0,0,0,0|1,0,1]=4 2912 B5R0.4 CC(C)(O)CCl MCULE-3118028441 [1,1,0,0,0,0|1,0,1]=4 2913 B5R0.4 CC(C)(O)CF MCULE-6616447132 [1,1,0,0,0,0|1,0,1]=4 2914 B5R0.4 CC(C)(O)CI MCULE-5132198363 [1,1,0,0,0,0|1,0,1]=4 2915 B5R0.4 CC(C)(O)CN MCULE-5270413077 [1,1,0,0,0,0|1,0,1]=4 2916 B5R0.4 CC(C)(O)CN MCULE-7438555366 [1,1,0,0,0,0|1,0,1]=4 2917 B5R0.4 CC(C)(O)CO MCULE-6797456030 [1,1,0,0,0,0|0,0,2]=4 2918 B5R0.4 CC(C)(O)CS MCULE-2370088388 [1,1,0,0,0,0|0,1,1]=4 2919 B5R0.4 CC(C)(S)CN MCULE-4256015369 [1,1,0,0,0,0|1,0,1]=4 2920 B5R0.4 CC(C)(S)CN MCULE-8836856580 [1,1,0,0,0,0|1,0,1]=4 2921 B5R0.4 CC(C)(S)CO MCULE-6119329508 [1,1,0,0,0,0|0,0,2]=4 2922 B5R0.4 CC(Cl)(Cl)CCl MCULE-8236164177 [1,1,0,0,0,0|2,0,0]=4 2923 B5R0.4 CC(F)(F)CF MCULE-6634311008 [1,1,0,0,0,0|2,0,0]=4 2924 B5R0.4 CC(F)(F)CN MCULE-5449109500 [1,1,0,0,0,0|2,0,0]=4 2925 B5R0.4 CC(F)(F)CN MCULE-9330314243 [1,1,0,0,0,0|2,0,0]=4 2926 B5R0.4 CC(F)(F)CO MCULE-1049181656 [1,1,0,0,0,0|2,0,0]=4 2927 B5R0.4 CCC(C)(C)Br MCULE-8895489875 [1,1,0,0,0,0|0,0,1]=3 2928 B5R0.4 CCC(C)(C)C MCULE-3388707671 [1,1,0,0,0,0|0,0,1]=3 2929 B5R0.4 CCC(C)(C)Cl MCULE-9597829372 [1,1,0,0,0,0|0,0,1]=3 2930 B5R0.4 CCC(C)(C)I MCULE-3678105747 [1,1,0,0,0,0|0,0,1]=3 2931 B5R0.4 CCC(C)(C)N MCULE-5538333672 [1,1,0,0,0,0|0,0,1]=3 2932 B5R0.4 CCC(C)(C)O MCULE-7894262803 [1,1,0,0,0,0|0,0,1]=3 2933 B5R0.4 CCC(C)(Cl)Cl MCULE-7771494508 [1,1,0,0,0,0|1,0,0]=3 2934 B5R0.4 CCC(C)(F)F MCULE-9944788511 [1,1,0,0,0,0|1,0,0]=3 2935 B5R0.4 CCC(Cl)(Cl)Cl MCULE-2160409083 [1,1,0,0,0,0|2,0,0]=4 2936 B5R0.4 CCC(F)(F)F MCULE-7641898897 [1,1,0,0,0,0|2,0,0]=4 2937 B5R0.4 CCP(=O)(Cl)Cl MCULE-3811520604 [1,1,0,0,0,0|2,0,0]=4 2938 B5R0.4 CCP(=O)(O)O MCULE-5185791919 [1,1,0,0,0,0|2,0,0]=4 2939 B5R0.4 CCS(=N)(=O)C MCULE-6682726319 [1,1,0,0,0,0|1,0,0]=3 2940 B5R0.4 CCS(=O)(=O)C MCULE-8932195925 [1,1,0,0,0,0|1,0,0]=3 2941 B5R0.4 CCS(=O)(=O)Cl MCULE-4280260185 [1,1,0,0,0,0|2,0,0]=4 2942 B5R0.4 CCS(=O)(=O)F MCULE-9460711277 [1,1,0,0,0,0|2,0,0]=4 2943 B5R0.4 CCS(=O)(=O)N MCULE-4542844597 [1,1,0,0,0,0|2,0,0]=4 2944 B5R0.4 CCS(=O)(=O)O MCULE-4408374633 [1,1,0,0,0,0|2,0,0]=4 2945 B5R0.4 CCS(=O)(=S)O MCULE-3229359913 [1,1,0,0,0,0|2,0,0]=4 2946 B5R0.4 CCS(=O)(=S)[O-] MCULE-8602343929 [1,1,0,0,0,0|2,0,0]=4 2947 B5R0.4 CC[N+](C)(C)C MCULE-6470651588 [1,1,0,0,0,0|1,0,1]=4 2948 B5R0.4 CC[N+](C)(C)C MCULE-9796203912 [1,1,0,0,0,0|1,0,1]=4 2949 B5R0.4 CC[Si](C)(C)C MCULE-3153744967 [1,1,0,0,0,0|0,1,1]=4 2950 B5R0.4 CC[Si](C)(C)Cl MCULE-8119153773 [1,1,0,0,0,0|0,1,1]=4 2951 B5R0.4 CC[Si](C)(Cl)Cl MCULE-6915255927 [1,1,0,0,0,0|1,1,0]=4 2952 B5R0.4 CNC(C)(C)C MCULE-7155937642 [1,1,0,0,0,0|1,0,1]=4 2953 B5R0.4 CNS(=O)(=O)C MCULE-1909911079 [1,1,0,0,0,0|2,0,0]=4 2954 B5R0.4 COC(C)(C)C MCULE-5235179974 [1,1,0,0,0,0|1,0,1]=4 2955 B5R0.4 COS(=O)(=O)C MCULE-4411511042 [1,1,0,0,0,0|2,0,0]=4 2956 B5R0.4 CP(=O)(C)CCl MCULE-8860798375 [1,1,0,0,0,0|2,0,0]=4 2957 B5R0.4 CS(=O)(=O)CBr MCULE-2231437619 [1,1,0,0,0,0|2,0,0]=4 2958 B5R0.4 CS(=O)(=O)CCl MCULE-3138137071 [1,1,0,0,0,0|2,0,0]=4 2959 B5R0.4 CSC(C)(C)C MCULE-8798542499 [1,1,0,0,0,0|1,0,1]=4 2960 B5R0.4 CSS(=O)(=O)C MCULE-2094653694 [1,1,0,0,0,0|2,0,0]=4 2961 B5R0.4 O=CC(Br)(Br)Br MCULE-5990521436 [1,1,0,0,0,0|2,0,0]=4 2962 B5R0.4 O=CC(Cl)(Cl)Cl MCULE-5840193226 [1,1,0,0,0,0|2,0,0]=4 2963 B5R0.4 O=CC(F)(F)F MCULE-4938131324 [1,1,0,0,0,0|2,0,0]=4 2964 B5R0.5 C=C(C)C(=C)C MCULE-6799765242 [1,1,0,0,0,0|0,0,2]=4 2965 B5R0.5 C=C(C)C(=O)C MCULE-5872425076 [1,1,0,0,0,0|0,0,2]=4 2966 B5R0.5 C=C(C)C(=O)Cl MCULE-9163474336 [1,1,0,0,0,0|0,0,2]=4 2967 B5R0.5 C=C(C)C(=O)N MCULE-3416322097 [1,1,0,0,0,0|0,0,2]=4 2968 B5R0.5 C=C(C)C(=O)O MCULE-9899621926 [1,1,0,0,0,0|0,0,2]=4 2969 B5R0.5 C=C(C)C(=O)[O-] MCULE-5299174444 [1,1,0,0,0,0|0,0,2]=4 2970 B5R0.5 C=C(C)C(=O)[O-] MCULE-7320418926 [1,1,0,0,0,0|0,0,2]=4 2971 B5R0.5 C=C(C)C(=O)[O-] MCULE-7347881815 [1,1,0,0,0,0|0,0,2]=4 2972 B5R0.5 C=C(C)C(C)C MCULE-2535284443 [1,1,0,0,0,0|0,0,1]=3 2973 B5R0.5 C=C(C)C(C)Cl MCULE-5294924458 [1,1,0,0,0,0|0,0,1]=3 2974 B5R0.5 C=C(C)C(C)O MCULE-3768810742 [1,1,0,0,0,0|0,0,1]=3 2975 B5R0.5 C=C(C)C(Cl)Cl MCULE-4460311331 [1,1,0,0,0,0|1,0,1]=4 2976 B5R0.5 C=C(C)C(Cl)Cl MCULE-5923487420 [1,1,0,0,0,0|1,0,1]=4 2977 B5R0.5 CC(=C(C)Br)C MCULE-2244219065 [1,1,0,0,0,0|1,0,1]=4 2978 B5R0.5 CC(=C(C)C)C MCULE-2888318026 [1,1,0,0,0,0|1,0,1]=4 2979 B5R0.5 CC(=O)C(=O)C MCULE-5742661187 [1,1,0,0,0,0|0,0,2]=4 2980 B5R0.5 CC(=O)C(=O)Cl MCULE-3413498860 [1,1,0,0,0,0|1,0,1]=4 2981 B5R0.5 CC(=O)C(=O)N MCULE-6804734996 [1,1,0,0,0,0|1,0,1]=4 2982 B5R0.5 CC(=O)C(=O)O MCULE-8587144313 [1,1,0,0,0,0|1,0,1]=4 2983 B5R0.5 CC(=O)C(=O)[O-] MCULE-2773521709 [1,1,0,0,0,0|1,0,1]=4 2984 B5R0.5 CC(=O)C(=O)[O-] MCULE-7007482346 [1,1,0,0,0,0|1,0,1]=4 2985 B5R0.5 CC(=O)C(=O)[O-] MCULE-8344520452 [1,1,0,0,0,0|1,0,1]=4 2986 B5R0.5 CC(=O)C(C)Br MCULE-3764525199 [1,1,0,0,0,0|0,0,1]=3 2987 B5R0.5 CC(=O)C(C)C MCULE-5982732938 [1,1,0,0,0,0|0,0,0]=2 2988 B5R0.5 CC(=O)C(C)Cl MCULE-5065840606 [1,1,0,0,0,0|0,0,1]=3 2989 B5R0.5 CC(=O)C(C)F MCULE-2129925918 [1,1,0,0,0,0|0,0,1]=3 2990 B5R0.5 CC(=O)C(C)N MCULE-5716124999 [1,1,0,0,0,0|0,0,1]=3 2991 B5R0.5 CC(=O)C(C)N MCULE-9248002534 [1,1,0,0,0,0|0,0,1]=3 2992 B5R0.5 CC(=O)C(C)O MCULE-5374414264 [1,1,0,0,0,0|0,0,1]=3 2993 B5R0.5 CC(=O)C(C)S MCULE-2716722148 [1,1,0,0,0,0|0,0,1]=3 2994 B5R0.5 CC(=O)C(Cl)Cl MCULE-9043899746 [1,1,0,0,0,0|1,0,1]=4 2995 B5R0.5 CC(=O)C(F)F MCULE-9206168077 [1,1,0,0,0,0|1,0,1]=4 2996 B5R0.5 CC(=O)N(C)C MCULE-4256511309 [1,1,0,0,0,0|1,0,0]=3 2997 B5R0.5 CC(=O)N(C)N MCULE-2447375293 [1,1,0,0,0,0|1,0,1]=4 2998 B5R0.5 CC(=O)[C@H](C)N MCULE-2609095078 [1,1,0,0,0,0|0,0,1]=3 2999 B5R0.5 CC(=O)[C@H](C)N MCULE-6039921944 [1,1,0,0,0,0|0,0,1]=3 3000 B5R0.5 CC(=O)[C@H](C)N MCULE-6387613992 [1,1,0,0,0,0|0,0,1]=3 3001 B5R0.5 CC(=O)[C@H](C)N MCULE-7052375323 [1,1,0,0,0,0|0,0,1]=3 3002 B5R0.5 CC(=S)N(C)C MCULE-6797990305 [1,1,0,0,0,0|1,1,0]=4 3003 B5R0.5 CC(Br)C(=O)Br MCULE-2400047844 [1,1,0,0,0,0|1,0,0]=3 3004 B5R0.5 CC(Br)C(=O)Cl MCULE-7431871683 [1,1,0,0,0,0|1,0,0]=3 3005 B5R0.5 CC(Br)C(=O)N MCULE-9226586148 [1,1,0,0,0,0|1,0,0]=3 3006 B5R0.5 CC(Br)C(=O)O MCULE-3935837943 [1,1,0,0,0,0|1,0,0]=3 3007 B5R0.5 CC(Br)C(=O)O MCULE-6068441065 [1,1,0,0,0,0|1,0,0]=3 3008 B5R0.5 CC(Br)C(C)Br MCULE-8272754345 [1,1,0,0,0,0|1,0,0]=3 3009 B5R0.5 CC(Br)C(Cl)Br MCULE-8471336753 [1,1,0,0,0,0|2,0,0]=4 3010 B5R0.5 CC(Br)C(Cl)Cl MCULE-1643063989 [1,1,0,0,0,0|2,0,0]=4 3011 B5R0.5 CC(C)B(O)O MCULE-1255589444 [1,1,0,0,0,0|1,0,1]=4 3012 B5R0.5 CC(C)C(=N)N MCULE-2464075086 [1,1,0,0,0,0|1,0,0]=3 3013 B5R0.5 CC(C)C(=N)N MCULE-6743996580 [1,1,0,0,0,0|1,0,0]=3 3014 B5R0.5 CC(C)C(=O)Br MCULE-3679003896 [1,1,0,0,0,0|0,0,0]=2 3015 B5R0.5 CC(C)C(=O)Cl MCULE-6582236331 [1,1,0,0,0,0|0,0,0]=2 3016 B5R0.5 CC(C)C(=O)N MCULE-9773835068 [1,1,0,0,0,0|0,0,0]=2 3017 B5R0.5 CC(C)C(=O)O MCULE-7783770647 [1,1,0,0,0,0|0,0,0]=2 3018 B5R0.5 CC(C)C(=O)S MCULE-9552406593 [1,1,0,0,0,0|0,0,0]=2 3019 B5R0.5 CC(C)C(=S)N MCULE-3546856315 [1,1,0,0,0,0|0,1,0]=3 3020 B5R0.5 CC(C)C(C)Br MCULE-8934980523 [1,1,0,0,0,0|0,0,1]=3 3021 B5R0.5 CC(C)C(C)C MCULE-7887644548 [1,1,0,0,0,0|0,0,1]=3 3022 B5R0.5 CC(C)C(C)I MCULE-7528764320 [1,1,0,0,0,0|0,0,1]=3 3023 B5R0.5 CC(C)C(C)N MCULE-1630754475 [1,1,0,0,0,0|0,0,1]=3 3024 B5R0.5 CC(C)C(C)N MCULE-1801901816 [1,1,0,0,0,0|0,0,1]=3 3025 B5R0.5 CC(C)C(C)N MCULE-3544463874 [1,1,0,0,0,0|0,0,1]=3 3026 B5R0.5 CC(C)C(C)N MCULE-4774844065 [1,1,0,0,0,0|0,0,1]=3 3027 B5R0.5 CC(C)C(C)O MCULE-4829392845 [1,1,0,0,0,0|0,0,1]=3 3028 B5R0.5 CC(C)C(C)S MCULE-7489203323 [1,1,0,0,0,0|0,0,1]=3 3029 B5R0.5 CC(C)C(I)I MCULE-6684789578 [1,1,0,0,0,0|1,0,1]=4 3030 B5R0.5 CC(C)N(=O)=O MCULE-8418443353 [1,1,0,0,0,0|1,0,0]=3 3031 B5R0.5 CC(C)N(C)C MCULE-1993251030 [1,1,0,0,0,0|1,0,1]=4 3032 B5R0.5 CC(C)S(=O)N MCULE-8425110407 [1,1,0,0,0,0|1,0,0]=3 3033 B5R0.5 CC(C)S(=O)O MCULE-5200056082 [1,1,0,0,0,0|1,0,0]=3 3034 B5R0.5 CC(C)S(=O)[O-] MCULE-2354817364 [1,1,0,0,0,0|1,0,0]=3 3035 B5R0.5 CC(C)[C@@H](C)N MCULE-1953734886 [1,1,0,0,0,0|0,0,1]=3 3036 B5R0.5 CC(C)[C@@H](C)N MCULE-3105334197 [1,1,0,0,0,0|0,0,1]=3 3037 B5R0.5 CC(C)[C@@H](C)N MCULE-9470429569 [1,1,0,0,0,0|0,0,1]=3 3038 B5R0.5 CC(C)[C@@H](C)O MCULE-3565458505 [1,1,0,0,0,0|0,0,1]=3 3039 B5R0.5 CC(C)[C@H](C)N MCULE-2859174363 [1,1,0,0,0,0|0,0,1]=3 3040 B5R0.5 CC(C)[C@H](C)N MCULE-3034457659 [1,1,0,0,0,0|0,0,1]=3 3041 B5R0.5 CC(C)[C@H](C)N MCULE-5904658917 [1,1,0,0,0,0|0,0,1]=3 3042 B5R0.5 CC(C)[C@H](C)O MCULE-1553214756 [1,1,0,0,0,0|0,0,1]=3 3043 B5R0.5 CC(C)[C@H](C)O MCULE-8141633445 [1,1,0,0,0,0|0,0,1]=3 3044 B5R0.5 CC(Cl)C(=N)N MCULE-2357555185 [1,1,0,0,0,0|2,0,0]=4 3045 B5R0.5 CC(Cl)C(=N)N MCULE-5302250002 [1,1,0,0,0,0|2,0,0]=4 3046 B5R0.5 CC(Cl)C(=O)Cl MCULE-6547241717 [1,1,0,0,0,0|1,0,0]=3 3047 B5R0.5 CC(Cl)C(=O)N MCULE-5322078211 [1,1,0,0,0,0|1,0,0]=3 3048 B5R0.5 CC(Cl)C(=O)O MCULE-3597230803 [1,1,0,0,0,0|1,0,0]=3 3049 B5R0.5 CC(Cl)C(=O)O MCULE-5449120618 [1,1,0,0,0,0|1,0,0]=3 3050 B5R0.5 CC(Cl)C(C)Cl MCULE-6954506926 [1,1,0,0,0,0|1,0,0]=3 3051 B5R0.5 CC(Cl)C(Cl)Cl MCULE-1848161215 [1,1,0,0,0,0|2,0,0]=4 3052 B5R0.5 CC(F)C(=O)O MCULE-7334922730 [1,1,0,0,0,0|1,0,0]=3 3053 B5R0.5 CC(I)C(=O)N MCULE-8608495554 [1,1,0,0,0,0|1,0,0]=3 3054 B5R0.5 CC(N)C(=O)N MCULE-1264398810 [1,1,0,0,0,0|1,0,0]=3 3055 B5R0.5 CC(N)C(=O)N MCULE-2251123672 [1,1,0,0,0,0|1,0,0]=3 3056 B5R0.5 CC(N)C(=O)N MCULE-2273926073 [1,1,0,0,0,0|1,0,0]=3 3057 B5R0.5 CC(N)C(=O)N MCULE-5340923071 [1,1,0,0,0,0|1,0,0]=3 3058 B5R0.5 CC(N)C(=O)N MCULE-6061233032 [1,1,0,0,0,0|1,0,0]=3 3059 B5R0.5 CC(N)C(=O)N MCULE-9273221837 [1,1,0,0,0,0|1,0,0]=3 3060 B5R0.5 CC(N)C(=O)O MCULE-3498369789 [1,1,0,0,0,0|1,0,0]=3 3061 B5R0.5 CC(N)C(=O)O MCULE-3809839392 [1,1,0,0,0,0|1,0,0]=3 3062 B5R0.5 CC(N)C(=O)O MCULE-4751903561 [1,1,0,0,0,0|1,0,0]=3 3063 B5R0.5 CC(N)C(=O)O MCULE-6963397848 [1,1,0,0,0,0|1,0,0]=3 3064 B5R0.5 CC(N)C(C)N MCULE-6724099648 [1,1,0,0,0,0|1,0,0]=3 3065 B5R0.5 CC(N)C(C)O MCULE-3512899672 [1,1,0,0,0,0|0,0,1]=3 3066 B5R0.5 CC(N)C(C)O MCULE-6286987696 [1,1,0,0,0,0|0,0,1]=3 3067 B5R0.5 CC(N)C(F)F MCULE-5449346446 [1,1,0,0,0,0|2,0,0]=4 3068 B5R0.5 CC(O)C(=N)N MCULE-4358846536 [1,1,0,0,0,0|2,0,0]=4 3069 B5R0.5 CC(O)C(=N)N MCULE-5644516205 [1,1,0,0,0,0|2,0,0]=4 3070 B5R0.5 CC(O)C(=O)N MCULE-6247123668 [1,1,0,0,0,0|1,0,0]=3 3071 B5R0.5 CC(O)C(=O)N MCULE-7823792358 [1,1,0,0,0,0|1,0,0]=3 3072 B5R0.5 CC(O)C(=O)O MCULE-3922256529 [1,1,0,0,0,0|1,0,0]=3 3073 B5R0.5 CC(O)C(=O)O MCULE-5387110670 [1,1,0,0,0,0|1,0,0]=3 3074 B5R0.5 CC(O)C(=O)[O-] MCULE-1056716990 [1,1,0,0,0,0|1,0,0]=3 3075 B5R0.5 CC(O)C(=O)[O-] MCULE-8184872865 [1,1,0,0,0,0|1,0,0]=3 3076 B5R0.5 CC(O)C(=O)[O-] MCULE-8730993694 [1,1,0,0,0,0|1,0,0]=3 3077 B5R0.5 CC(O)C(C)Br MCULE-1140424623 [1,1,0,0,0,0|0,0,1]=3 3078 B5R0.5 CC(O)C(C)Cl MCULE-3352632568 [1,1,0,0,0,0|0,0,1]=3 3079 B5R0.5 CC(O)C(C)O MCULE-2858785316 [1,1,0,0,0,0|0,0,1]=3 3080 B5R0.5 CC(O)C(C)S MCULE-3741743569 [1,1,0,0,0,0|0,0,1]=3 3081 B5R0.5 CC(O)C(F)F MCULE-1258374037 [1,1,0,0,0,0|1,0,1]=4 3082 B5R0.5 CC(S)C(=O)N MCULE-1465182001 [1,1,0,0,0,0|1,0,0]=3 3083 B5R0.5 CC(S)C(=O)O MCULE-6944738352 [1,1,0,0,0,0|1,0,0]=3 3084 B5R0.5 CC(S)C(C)S MCULE-3508721208 [1,1,0,0,0,0|0,1,0]=3 3085 B5R0.5 CN(C)C(=N)N MCULE-6863213372 [1,1,0,0,0,0|2,0,0]=4 3086 B5R0.5 CN(C)C(=N)N MCULE-7950775799 [1,1,0,0,0,0|2,0,0]=4 3087 B5R0.5 CN(C)C(=N)N MCULE-8265374681 [1,1,0,0,0,0|2,0,0]=4 3088 B5R0.5 CN(C)C(=N)N MCULE-9153833571 [1,1,0,0,0,0|2,0,0]=4 3089 B5R0.5 CN(C)C(=O)Cl MCULE-1738506605 [1,1,0,0,0,0|1,0,0]=3 3090 B5R0.5 CN(C)C(=O)N MCULE-3142720631 [1,1,0,0,0,0|1,0,0]=3 3091 B5R0.5 CN(C)C(=O)O MCULE-1039144559 [1,1,0,0,0,0|1,0,0]=3 3092 B5R0.5 CN(C)C(=O)[O-] MCULE-5405204721 [1,1,0,0,0,0|1,0,0]=3 3093 B5R0.5 CN(C)C(=S)Cl MCULE-5232126468 [1,1,0,0,0,0|1,1,0]=4 3094 B5R0.5 CN(C)C(=S)N MCULE-6937388954 [1,1,0,0,0,0|1,1,0]=4 3095 B5R0.5 CN(C)C(=S)S MCULE-4296425055 [1,1,0,0,0,0|1,1,0]=4 3096 B5R0.5 CN(C)C(=S)S MCULE-5159570847 [1,1,0,0,0,0|1,1,0]=4 3097 B5R0.5 CN(C)C(=S)[S-] MCULE-6390941151 [1,1,0,0,0,0|1,1,0]=4 3098 B5R0.5 CN(C)C(=S)[S-] MCULE-7709633048 [1,1,0,0,0,0|1,1,0]=4 3099 B5R0.5 CN(N)C(=O)N MCULE-9114734246 [1,1,0,0,0,0|2,0,0]=4 3100 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8303539222 [1,1,0,0,0,0|1,0,0]=3 3101 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8530283309 [1,1,0,0,0,0|1,0,0]=3 3102 B5R0.5 C[C@@H](Cl)C(=O)Cl MCULE-3579498695 [1,1,0,0,0,0|1,0,0]=3 3103 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-6578788045 [1,1,0,0,0,0|1,0,0]=3 3104 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-8314108697 [1,1,0,0,0,0|1,0,0]=3 3105 B5R0.5 C[C@@H](F)C(=O)N MCULE-1505685009 [1,1,0,0,0,0|1,0,0]=3 3106 B5R0.5 C[C@@H](N)C(=O)N MCULE-4677983549 [1,1,0,0,0,0|1,0,0]=3 3107 B5R0.5 C[C@@H](N)C(=O)N MCULE-6112443507 [1,1,0,0,0,0|1,0,0]=3 3108 B5R0.5 C[C@@H](N)C(=O)N MCULE-7940270709 [1,1,0,0,0,0|1,0,0]=3 3109 B5R0.5 C[C@@H](N)C(=O)N MCULE-8482332558 [1,1,0,0,0,0|1,0,0]=3 3110 B5R0.5 C[C@@H](N)C(=O)O MCULE-3571488623 [1,1,0,0,0,0|1,0,0]=3 3111 B5R0.5 C[C@@H](N)C(=O)O MCULE-9756365751 [1,1,0,0,0,0|1,0,0]=3 3112 B5R0.5 C[C@@H](N)C(F)F MCULE-3679161461 [1,1,0,0,0,0|2,0,0]=4 3113 B5R0.5 C[C@@H](N)C(F)F MCULE-5068481064 [1,1,0,0,0,0|2,0,0]=4 3114 B5R0.5 C[C@@H](N)[C@@H](C)N MCULE-5194916344 [1,1,0,0,0,0|1,0,0]=3 3115 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-4537991630 [1,1,0,0,0,0|0,0,1]=3 3116 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-5710552020 [1,1,0,0,0,0|0,0,1]=3 3117 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-5951487868 [1,1,0,0,0,0|0,0,1]=3 3118 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-8093543292 [1,1,0,0,0,0|0,0,1]=3 3119 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-8196664475 [1,1,0,0,0,0|0,0,1]=3 3120 B5R0.5 C[C@@H](O)C(=N)N MCULE-1498978023 [1,1,0,0,0,0|2,0,0]=4 3121 B5R0.5 C[C@@H](O)C(=N)N MCULE-6124491136 [1,1,0,0,0,0|2,0,0]=4 3122 B5R0.5 C[C@@H](O)C(=N)N MCULE-7410387081 [1,1,0,0,0,0|2,0,0]=4 3123 B5R0.5 C[C@@H](O)C(=N)N MCULE-9566288141 [1,1,0,0,0,0|2,0,0]=4 3124 B5R0.5 C[C@@H](O)C(=O)N MCULE-2026557726 [1,1,0,0,0,0|1,0,0]=3 3125 B5R0.5 C[C@@H](O)C(=O)N MCULE-8056291801 [1,1,0,0,0,0|1,0,0]=3 3126 B5R0.5 C[C@@H](O)C(=O)O MCULE-4625208788 [1,1,0,0,0,0|1,0,0]=3 3127 B5R0.5 C[C@@H](O)C(=O)O MCULE-9141235095 [1,1,0,0,0,0|1,0,0]=3 3128 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-5673591667 [1,1,0,0,0,0|1,0,0]=3 3129 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-8146434340 [1,1,0,0,0,0|1,0,0]=3 3130 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-9026662277 [1,1,0,0,0,0|1,0,0]=3 3131 B5R0.5 C[C@@H](O)[C@@H](C)O MCULE-2843927827 [1,1,0,0,0,0|0,0,1]=3 3132 B5R0.5 C[C@@H](O)[C@@H](C)O MCULE-3739961672 [1,1,0,0,0,0|0,0,1]=3 3133 B5R0.5 C[C@@H](O)[C@@H](C)O MCULE-5488313047 [1,1,0,0,0,0|0,0,1]=3 3134 B5R0.5 C[C@H](Br)C(=O)Cl MCULE-2960953088 [1,1,0,0,0,0|1,0,0]=3 3135 B5R0.5 C[C@H](Br)C(=O)O MCULE-4788730445 [1,1,0,0,0,0|1,0,0]=3 3136 B5R0.5 C[C@H](Br)C(=O)O MCULE-9354978281 [1,1,0,0,0,0|1,0,0]=3 3137 B5R0.5 C[C@H](Br)[C@@H](C)Br MCULE-7263507123 [1,1,0,0,0,0|1,0,0]=3 3138 B5R0.5 C[C@H](Cl)C(=O)O MCULE-4816831649 [1,1,0,0,0,0|1,0,0]=3 3139 B5R0.5 C[C@H](Cl)C(=O)O MCULE-8389122613 [1,1,0,0,0,0|1,0,0]=3 3140 B5R0.5 C[C@H](F)C(=O)N MCULE-7457242428 [1,1,0,0,0,0|1,0,0]=3 3141 B5R0.5 C[C@H](N)C(=O)N MCULE-4716963408 [1,1,0,0,0,0|1,0,0]=3 3142 B5R0.5 C[C@H](N)C(=O)N MCULE-6879702251 [1,1,0,0,0,0|1,0,0]=3 3143 B5R0.5 C[C@H](N)C(=O)N MCULE-7090555441 [1,1,0,0,0,0|1,0,0]=3 3144 B5R0.5 C[C@H](N)C(=O)N MCULE-7293369315 [1,1,0,0,0,0|1,0,0]=3 3145 B5R0.5 C[C@H](N)C(=O)N MCULE-7341432132 [1,1,0,0,0,0|1,0,0]=3 3146 B5R0.5 C[C@H](N)C(=O)N MCULE-7556063213 [1,1,0,0,0,0|1,0,0]=3 3147 B5R0.5 C[C@H](N)C(=O)N MCULE-8320991932 [1,1,0,0,0,0|1,0,0]=3 3148 B5R0.5 C[C@H](N)C(=O)N MCULE-8491573930 [1,1,0,0,0,0|1,0,0]=3 3149 B5R0.5 C[C@H](N)C(=O)O MCULE-4916719758 [1,1,0,0,0,0|1,0,0]=3 3150 B5R0.5 C[C@H](N)C(=O)O MCULE-5261590548 [1,1,0,0,0,0|1,0,0]=3 3151 B5R0.5 C[C@H](N)C(=O)O MCULE-7791919887 [1,1,0,0,0,0|1,0,0]=3 3152 B5R0.5 C[C@H](N)C(=O)O MCULE-8724854497 [1,1,0,0,0,0|1,0,0]=3 3153 B5R0.5 C[C@H](N)[C@@H](C)O MCULE-6389040758 [1,1,0,0,0,0|0,0,1]=3 3154 B5R0.5 C[C@H](N)[C@@H](C)O MCULE-7956913866 [1,1,0,0,0,0|0,0,1]=3 3155 B5R0.5 C[C@H](N)[C@H](C)N MCULE-1560418234 [1,1,0,0,0,0|1,0,0]=3 3156 B5R0.5 C[C@H](N)[C@H](C)O MCULE-1340338147 [1,1,0,0,0,0|0,0,1]=3 3157 B5R0.5 C[C@H](N)[C@H](C)O MCULE-1738016964 [1,1,0,0,0,0|0,0,1]=3 3158 B5R0.5 C[C@H](N)[C@H](C)O MCULE-2254798251 [1,1,0,0,0,0|0,0,1]=3 3159 B5R0.5 C[C@H](N)[C@H](C)O MCULE-7688101680 [1,1,0,0,0,0|0,0,1]=3 3160 B5R0.5 C[C@H](O)C(=O)N MCULE-8400190365 [1,1,0,0,0,0|1,0,0]=3 3161 B5R0.5 C[C@H](O)C(=O)O MCULE-5695391344 [1,1,0,0,0,0|1,0,0]=3 3162 B5R0.5 C[C@H](O)C(=O)O MCULE-8864689875 [1,1,0,0,0,0|1,0,0]=3 3163 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-1034285072 [1,1,0,0,0,0|1,0,0]=3 3164 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-3598405830 [1,1,0,0,0,0|1,0,0]=3 3165 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-7525689298 [1,1,0,0,0,0|1,0,0]=3 3166 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8057429776 [1,1,0,0,0,0|1,0,0]=3 3167 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8729310894 [1,1,0,0,0,0|1,0,0]=3 3168 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-3776841970 [1,1,0,0,0,0|0,0,1]=3 3169 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-4906999918 [1,1,0,0,0,0|0,0,1]=3 3170 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-5860404631 [1,1,0,0,0,0|0,0,1]=3 3171 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-5888789996 [1,1,0,0,0,0|0,0,1]=3 3172 B5R0.5 C[C@H](O)[C@@H](C)O MCULE-8389904530 [1,1,0,0,0,0|0,0,1]=3 3173 B5R0.5 C[C@H](O)[C@H](C)O MCULE-8448870055 [1,1,0,0,0,0|0,0,1]=3 3174 B5R0.5 C[C@H](O)[C@H](C)O MCULE-9615630900 [1,1,0,0,0,0|0,0,1]=3 3175 B5R0.5 C[C@H](S)[C@@H](C)O MCULE-3347141817 [1,1,0,0,0,0|0,0,1]=3 3176 B5R0.5 C[N+](=C(Cl)Cl)C MCULE-8024225536 [1,1,0,0,0,0|2,0,0]=4 3177 B5R0.5 C[N+](=C(Cl)Cl)C MCULE-9306949257 [1,1,0,0,0,0|2,0,0]=4 3178 B5R0.5 NC(=O)C(Cl)Br MCULE-9082770089 [1,1,0,0,0,0|2,0,0]=4 3179 B5R0.5 NC(=O)C(Cl)Cl MCULE-3389337354 [1,1,0,0,0,0|2,0,0]=4 3180 B5R0.5 NC(=O)C(F)Br MCULE-8795303515 [1,1,0,0,0,0|2,0,0]=4 3181 B5R0.5 NC(=O)C(F)Cl MCULE-4267127037 [1,1,0,0,0,0|2,0,0]=4 3182 B5R0.5 NC(=O)C(F)F MCULE-7881392368 [1,1,0,0,0,0|2,0,0]=4 3183 B5R0.5 NC(=O)C(F)I MCULE-6067421301 [1,1,0,0,0,0|2,0,0]=4 3184 B5R0.5 NC(O)C(=O)O MCULE-6546070388 [1,1,0,0,0,0|2,0,0]=4 3185 B5R0.5 O=C(Cl)C(Cl)Cl MCULE-2883143305 [1,1,0,0,0,0|2,0,0]=4 3186 B5R0.5 O=C(Cl)C(F)Cl MCULE-1579940277 [1,1,0,0,0,0|2,0,0]=4 3187 B5R0.5 O=C(Cl)C(F)F MCULE-6700400389 [1,1,0,0,0,0|2,0,0]=4 3188 B5R0.5 O=C(F)C(F)F MCULE-6722746663 [1,1,0,0,0,0|2,0,0]=4 3189 B5R0.5 O=C(O)C(Br)Br MCULE-4908900588 [1,1,0,0,0,0|2,0,0]=4 3190 B5R0.5 O=C(O)C(Cl)Br MCULE-4569127340 [1,1,0,0,0,0|2,0,0]=4 3191 B5R0.5 O=C(O)C(Cl)Cl MCULE-1246638159 [1,1,0,0,0,0|2,0,0]=4 3192 B5R0.5 O=C(O)C(F)Br MCULE-5639771935 [1,1,0,0,0,0|2,0,0]=4 3193 B5R0.5 O=C(O)C(F)Cl MCULE-8791727704 [1,1,0,0,0,0|2,0,0]=4 3194 B5R0.5 O=C(O)C(F)F MCULE-9791449975 [1,1,0,0,0,0|2,0,0]=4 3195 B5R0.5 O=C(O)C(F)I MCULE-2596137309 [1,1,0,0,0,0|2,0,0]=4 3196 B5R0.5 O=C(O)C(O)O MCULE-8045135900 [1,1,0,0,0,0|2,0,0]=4 3197 B5R0.5 O=C(O)[C@@H](F)Cl MCULE-9934674808 [1,1,0,0,0,0|2,0,0]=4 3198 B5R0.5 O=C(O)[C@H](F)Cl MCULE-8184552815 [1,1,0,0,0,0|2,0,0]=4 3199 B5R0.5 O=C([O-])C(F)Br MCULE-3214706920 [1,1,0,0,0,0|2,0,0]=4 3200 B5R0.5 O=C([O-])C(F)Cl MCULE-6121365584 [1,1,0,0,0,0|2,0,0]=4 3201 B5R0.5 O=C([O-])C(F)I MCULE-5263796115 [1,1,0,0,0,0|2,0,0]=4 3202 B5R0.5 [C@@H](C)(O)C(=O)N MCULE-6953360641 [1,1,0,0,0,0|1,0,0]=3 3203 B5R0.5 [NH2+]=C(Cl)N(C)C MCULE-1016641329 [1,1,0,0,0,0|2,0,0]=4 3204 B5R0.5 [NH2+]=C(Cl)N(C)C MCULE-1067760866 [1,1,0,0,0,0|2,0,0]=4 3205 B5R0.5 [NH3+]C(C)C(C)[NH3+] MCULE-4215582247 [1,1,0,0,0,0|1,0,0]=3 3206 B5R0.2 BrCCCCBr MCULE-5088378536 [1,1,0,0,0,0|1,0,1]=4 3207 B5R0.2 C#CCCC=C MCULE-4858099861 [1,1,0,0,0,0|1,0,1]=4 3208 B5R0.2 C#CCCC=O MCULE-9994552907 [1,1,0,0,0,0|0,0,1]=3 3209 B5R0.2 C#CCCCBr MCULE-3834416844 [1,1,0,0,0,0|1,0,1]=4 3210 B5R0.2 C#CCCCC MCULE-5706969297 [1,1,0,0,0,0|1,0,1]=4 3211 B5R0.2 C#CCCCCl MCULE-3879115419 [1,1,0,0,0,0|1,0,1]=4 3212 B5R0.2 C#CCCCI MCULE-4063232871 [1,1,0,0,0,0|1,0,1]=4 3213 B5R0.2 C#CCCCN MCULE-3191305523 [1,1,0,0,0,0|1,0,1]=4 3214 B5R0.2 C#CCCCN MCULE-3259677872 [1,1,0,0,0,0|1,0,1]=4 3215 B5R0.2 C#CCCCO MCULE-6360852809 [1,1,0,0,0,0|1,0,1]=4 3216 B5R0.2 C#CCCNC MCULE-1590490287 [1,1,0,0,0,0|1,0,1]=4 3217 B5R0.2 C#CCCNC MCULE-4004733974 [1,1,0,0,0,0|1,0,1]=4 3218 B5R0.2 C#CCCNC MCULE-7566671614 [1,1,0,0,0,0|1,0,1]=4 3219 B5R0.2 C#CCCOC MCULE-7152168835 [1,1,0,0,0,0|1,0,1]=4 3220 B5R0.2 C#CCNCC MCULE-1258696824 [1,1,0,0,0,0|1,0,1]=4 3221 B5R0.2 C#CCNCC MCULE-3363103527 [1,1,0,0,0,0|1,0,1]=4 3222 B5R0.2 C#CCOCC MCULE-1055202735 [1,1,0,0,0,0|1,0,1]=4 3223 B5R0.2 C#CCSCC MCULE-5718021970 [1,1,0,0,0,0|1,0,1]=4 3224 B5R0.2 C/C=C/CCC MCULE-9851656818 [1,1,0,0,0,0|1,0,0]=3 3225 B5R0.2 C/C=C/CCO MCULE-3952855392 [1,1,0,0,0,0|1,0,1]=4 3226 B5R0.2 C/C=C/OCC MCULE-2891896400 [1,1,0,0,0,0|1,0,1]=4 3227 B5R0.2 C/C=C\CCC MCULE-1013657748 [1,1,0,0,0,0|1,0,0]=3 3228 B5R0.2 C=C/C=C/CC MCULE-5996202716 [1,1,0,0,0,0|1,0,1]=4 3229 B5R0.2 C=C=CCCBr MCULE-5561919067 [1,1,0,0,0,0|2,0,0]=4 3230 B5R0.2 C=C=CCCI MCULE-7583015374 [1,1,0,0,0,0|2,0,0]=4 3231 B5R0.2 C=C=CCCN MCULE-5814175873 [1,1,0,0,0,0|2,0,0]=4 3232 B5R0.2 C=C=CCCN MCULE-8177198091 [1,1,0,0,0,0|2,0,0]=4 3233 B5R0.2 C=C=CCCO MCULE-1054355649 [1,1,0,0,0,0|2,0,0]=4 3234 B5R0.2 C=CC/C=C/C MCULE-8732875285 [1,1,0,0,0,0|1,0,1]=4 3235 B5R0.2 C=CCC=CC MCULE-8643449832 [1,1,0,0,0,0|1,0,1]=4 3236 B5R0.2 C=CCCC#N MCULE-8967750268 [1,1,0,0,0,0|1,0,1]=4 3237 B5R0.2 C=CCCC=C MCULE-2599309974 [1,1,0,0,0,0|1,0,1]=4 3238 B5R0.2 C=CCCC=O MCULE-7850336174 [1,1,0,0,0,0|0,0,1]=3 3239 B5R0.2 C=CCCCBr MCULE-5027518679 [1,1,0,0,0,0|1,0,0]=3 3240 B5R0.2 C=CCCCC MCULE-4750698031 [1,1,0,0,0,0|1,0,0]=3 3241 B5R0.2 C=CCCCCl MCULE-3877430809 [1,1,0,0,0,0|1,0,0]=3 3242 B5R0.2 C=CCCCI MCULE-8692831514 [1,1,0,0,0,0|1,0,0]=3 3243 B5R0.2 C=CCCCN MCULE-5787926547 [1,1,0,0,0,0|1,0,0]=3 3244 B5R0.2 C=CCCCN MCULE-7346989227 [1,1,0,0,0,0|1,0,0]=3 3245 B5R0.2 C=CCCCO MCULE-5946342321 [1,1,0,0,0,0|1,0,0]=3 3246 B5R0.2 C=CCCNC MCULE-2124263362 [1,1,0,0,0,0|1,0,0]=3 3247 B5R0.2 C=CCCNC MCULE-5024925990 [1,1,0,0,0,0|1,0,0]=3 3248 B5R0.2 C=CCCOC MCULE-4681354270 [1,1,0,0,0,0|1,0,0]=3 3249 B5R0.2 C=CCCON MCULE-3476228435 [1,1,0,0,0,0|2,0,0]=4 3250 B5R0.2 C=CCCON MCULE-9206052895 [1,1,0,0,0,0|2,0,0]=4 3251 B5R0.2 C=CCNC=O MCULE-1911798514 [1,1,0,0,0,0|0,0,2]=4 3252 B5R0.2 C=CCNCC MCULE-6987567673 [1,1,0,0,0,0|1,0,0]=3 3253 B5R0.2 C=CCNCC MCULE-8318544337 [1,1,0,0,0,0|1,0,0]=3 3254 B5R0.2 C=CCOC=O MCULE-4161785970 [1,1,0,0,0,0|0,0,2]=4 3255 B5R0.2 C=CCOCC MCULE-4363356618 [1,1,0,0,0,0|1,0,0]=3 3256 B5R0.2 C=CCOCCl MCULE-6656252526 [1,1,0,0,0,0|2,0,0]=4 3257 B5R0.2 C=CCONC MCULE-4537899476 [1,1,0,0,0,0|2,0,0]=4 3258 B5R0.2 C=CCONC MCULE-9645204142 [1,1,0,0,0,0|2,0,0]=4 3259 B5R0.2 C=CCSCC MCULE-3816911529 [1,1,0,0,0,0|1,0,0]=3 3260 B5R0.2 C=CCSSC MCULE-8417830164 [1,1,0,0,0,0|2,0,0]=4 3261 B5R0.2 C=COCCC MCULE-4423853666 [1,1,0,0,0,0|1,0,0]=3 3262 B5R0.2 C=COCCCl MCULE-7782311030 [1,1,0,0,0,0|2,0,0]=4 3263 B5R0.2 C=COCCN MCULE-8052872924 [1,1,0,0,0,0|2,0,0]=4 3264 B5R0.2 C=COCCN MCULE-8496820259 [1,1,0,0,0,0|2,0,0]=4 3265 B5R0.2 C=COCCO MCULE-9383372818 [1,1,0,0,0,0|2,0,0]=4 3266 B5R0.2 CC#CCC=O MCULE-6071390808 [1,1,0,0,0,0|0,0,1]=3 3267 B5R0.2 CC#CCCC MCULE-8179328151 [1,1,0,0,0,0|1,0,1]=4 3268 B5R0.2 CC/C=C/C=O MCULE-5102906061 [1,1,0,0,0,0|0,0,1]=3 3269 B5R0.2 CC/C=C/CC MCULE-6762040186 [1,1,0,0,0,0|1,0,1]=4 3270 B5R0.2 CC/C=C\C#N MCULE-2648641382 [1,1,0,0,0,0|1,0,1]=4 3271 B5R0.2 CC/C=C\CC MCULE-9418110460 [1,1,0,0,0,0|1,0,1]=4 3272 B5R0.2 CC/C=C\CO MCULE-5480473249 [1,1,0,0,0,0|0,0,2]=4 3273 B5R0.2 CC=CCCBr MCULE-7329159278 [1,1,0,0,0,0|1,0,1]=4 3274 B5R0.2 CC=CCCC MCULE-8736231124 [1,1,0,0,0,0|1,0,0]=3 3275 B5R0.2 CC=CCCN MCULE-5129102475 [1,1,0,0,0,0|1,0,1]=4 3276 B5R0.2 CC=CCCN MCULE-8500001929 [1,1,0,0,0,0|1,0,1]=4 3277 B5R0.2 CC=CCCO MCULE-4302367089 [1,1,0,0,0,0|1,0,1]=4 3278 B5R0.2 CC=COCC MCULE-1473170404 [1,1,0,0,0,0|1,0,1]=4 3279 B5R0.2 CCC#CC=O MCULE-3889262436 [1,1,0,0,0,0|0,0,1]=3 3280 B5R0.2 CCC=CC#N MCULE-1091834842 [1,1,0,0,0,0|1,0,1]=4 3281 B5R0.2 CCC=CC=O MCULE-1318250395 [1,1,0,0,0,0|0,0,1]=3 3282 B5R0.2 CCC=CCBr MCULE-5326763881 [1,1,0,0,0,0|1,0,1]=4 3283 B5R0.2 CCC=CCC MCULE-5435957422 [1,1,0,0,0,0|1,0,1]=4 3284 B5R0.2 CCC=CCO MCULE-5633399984 [1,1,0,0,0,0|0,0,2]=4 3285 B5R0.2 CCCC#CI MCULE-5016901652 [1,1,0,0,0,0|1,0,1]=4 3286 B5R0.2 CCCC=NO MCULE-7364375780 [1,1,0,0,0,0|0,0,1]=3 3287 B5R0.2 CCCCC#N MCULE-4015236167 [1,1,0,0,0,0|1,0,1]=4 3288 B5R0.2 CCCCC=O MCULE-4736782822 [1,1,0,0,0,0|0,0,0]=2 3289 B5R0.2 CCCCCBr MCULE-8513521912 [1,1,0,0,0,0|1,0,1]=4 3290 B5R0.2 CCCCCC MCULE-3465692202 [1,1,0,0,0,0|1,0,1]=4 3291 B5R0.2 CCCCCCl MCULE-4412759460 [1,1,0,0,0,0|1,0,1]=4 3292 B5R0.2 CCCCCF MCULE-6399883281 [1,1,0,0,0,0|1,0,1]=4 3293 B5R0.2 CCCCCI MCULE-4590300793 [1,1,0,0,0,0|1,0,1]=4 3294 B5R0.2 CCCCCN MCULE-3371742982 [1,1,0,0,0,0|1,0,1]=4 3295 B5R0.2 CCCCCN MCULE-4371067300 [1,1,0,0,0,0|1,0,1]=4 3296 B5R0.2 CCCCCN MCULE-6547961798 [1,1,0,0,0,0|1,0,1]=4 3297 B5R0.2 CCCCCN MCULE-7483248760 [1,1,0,0,0,0|1,0,1]=4 3298 B5R0.2 CCCCCO MCULE-8714292632 [1,1,0,0,0,0|0,0,2]=4 3299 B5R0.2 CCCCCS MCULE-5476379340 [1,1,0,0,0,0|0,1,1]=4 3300 B5R0.2 CCCCNC MCULE-9321610906 [1,1,0,0,0,0|1,0,1]=4 3301 B5R0.2 CCCCNN MCULE-6681305566 [1,1,0,0,0,0|1,0,1]=4 3302 B5R0.2 CCCCNN MCULE-6890760890 [1,1,0,0,0,0|1,0,1]=4 3303 B5R0.2 CCCCNN MCULE-7362497327 [1,1,0,0,0,0|1,0,1]=4 3304 B5R0.2 CCCCNN MCULE-8463623644 [1,1,0,0,0,0|1,0,1]=4 3305 B5R0.2 CCCCNO MCULE-1911206569 [1,1,0,0,0,0|0,0,2]=4 3306 B5R0.2 CCCCNO MCULE-3820646216 [1,1,0,0,0,0|0,0,2]=4 3307 B5R0.2 CCCCOC MCULE-9814272675 [1,1,0,0,0,0|0,0,2]=4 3308 B5R0.2 CCCCON MCULE-7582349983 [1,1,0,0,0,0|0,0,2]=4 3309 B5R0.2 CCCCON MCULE-8175627798 [1,1,0,0,0,0|0,0,2]=4 3310 B5R0.2 CCCCSC MCULE-2799775567 [1,1,0,0,0,0|0,1,1]=4 3311 B5R0.2 CCCN=C=O MCULE-9014468293 [1,1,0,0,0,0|0,0,1]=3 3312 B5R0.2 CCCN=C=S MCULE-7947940355 [1,1,0,0,0,0|0,1,1]=4 3313 B5R0.2 CCCNC=O MCULE-6344556391 [1,1,0,0,0,0|0,0,0]=2 3314 B5R0.2 CCCNCC MCULE-7948828264 [1,1,0,0,0,0|1,0,1]=4 3315 B5R0.2 CCCNCC MCULE-9107549207 [1,1,0,0,0,0|1,0,1]=4 3316 B5R0.2 CCCOC=O MCULE-3133604529 [1,1,0,0,0,0|0,0,0]=2 3317 B5R0.2 CCCOCBr MCULE-3585683043 [1,1,0,0,0,0|1,0,1]=4 3318 B5R0.2 CCCOCC MCULE-9971916790 [1,1,0,0,0,0|1,0,1]=4 3319 B5R0.2 CCCOCCl MCULE-1932627202 [1,1,0,0,0,0|1,0,1]=4 3320 B5R0.2 CCCSC#N MCULE-9018157774 [1,1,0,0,0,0|1,0,1]=4 3321 B5R0.2 CCCSCC MCULE-4547385568 [1,1,0,0,0,0|1,0,1]=4 3322 B5R0.2 CCCSSC MCULE-3127072032 [1,1,0,0,0,0|1,1,0]=4 3323 B5R0.2 CCNCC#N MCULE-8279629720 [1,1,0,0,0,0|1,0,1]=4 3324 B5R0.2 CCNCCCl MCULE-2589770119 [1,1,0,0,0,0|1,0,1]=4 3325 B5R0.2 CCNCCCl MCULE-3098032672 [1,1,0,0,0,0|1,0,1]=4 3326 B5R0.2 CCNCCN MCULE-7854769899 [1,1,0,0,0,0|1,0,1]=4 3327 B5R0.2 CCNCCO MCULE-2537734730 [1,1,0,0,0,0|0,0,2]=4 3328 B5R0.2 CCNCCO MCULE-3738714907 [1,1,0,0,0,0|0,0,2]=4 3329 B5R0.2 CCO/C=C\Br MCULE-7396084973 [1,1,0,0,0,0|1,0,1]=4 3330 B5R0.2 CCOC=CBr MCULE-5241125671 [1,1,0,0,0,0|1,0,1]=4 3331 B5R0.2 CCOCC#N MCULE-6709940440 [1,1,0,0,0,0|1,0,1]=4 3332 B5R0.2 CCOCCBr MCULE-4818900555 [1,1,0,0,0,0|1,0,1]=4 3333 B5R0.2 CCOCCCl MCULE-1290576729 [1,1,0,0,0,0|1,0,1]=4 3334 B5R0.2 CCOCCI MCULE-1833092968 [1,1,0,0,0,0|1,0,1]=4 3335 B5R0.2 CCOCCN MCULE-1254431240 [1,1,0,0,0,0|1,0,1]=4 3336 B5R0.2 CCOCCN MCULE-4039110889 [1,1,0,0,0,0|1,0,1]=4 3337 B5R0.2 CCOCCN MCULE-4400456933 [1,1,0,0,0,0|1,0,1]=4 3338 B5R0.2 CCOCCO MCULE-4311513289 [1,1,0,0,0,0|0,0,2]=4 3339 B5R0.2 CCOCCS MCULE-3968740645 [1,1,0,0,0,0|0,1,1]=4 3340 B5R0.2 CCSCC#N MCULE-4093791055 [1,1,0,0,0,0|1,0,1]=4 3341 B5R0.2 CCSCC=O MCULE-8069035019 [1,1,0,0,0,0|0,0,0]=2 3342 B5R0.2 CCSCCBr MCULE-9449933342 [1,1,0,0,0,0|1,0,1]=4 3343 B5R0.2 CCSCCCl MCULE-4057847237 [1,1,0,0,0,0|1,0,1]=4 3344 B5R0.2 CCSCCN MCULE-3375644872 [1,1,0,0,0,0|1,0,1]=4 3345 B5R0.2 CCSCCN MCULE-4466279976 [1,1,0,0,0,0|1,0,1]=4 3346 B5R0.2 CCSCCO MCULE-3557086162 [1,1,0,0,0,0|0,0,2]=4 3347 B5R0.2 CCSCCS MCULE-4583054157 [1,1,0,0,0,0|0,1,1]=4 3348 B5R0.2 CNCCC#N MCULE-6686234290 [1,1,0,0,0,0|1,0,1]=4 3349 B5R0.2 CNCCCBr MCULE-3376600253 [1,1,0,0,0,0|1,0,1]=4 3350 B5R0.2 CNCCCBr MCULE-6212326106 [1,1,0,0,0,0|1,0,1]=4 3351 B5R0.2 CNCCCCl MCULE-1007719210 [1,1,0,0,0,0|1,0,1]=4 3352 B5R0.2 CNCCCCl MCULE-6146901643 [1,1,0,0,0,0|1,0,1]=4 3353 B5R0.2 CNCCCF MCULE-7647417887 [1,1,0,0,0,0|1,0,1]=4 3354 B5R0.2 CNCCCN MCULE-1736081896 [1,1,0,0,0,0|1,0,1]=4 3355 B5R0.2 CNCCCO MCULE-9530478547 [1,1,0,0,0,0|0,0,2]=4 3356 B5R0.2 CNCCNC MCULE-1378979868 [1,1,0,0,0,0|2,0,0]=4 3357 B5R0.2 CNCCNC MCULE-3281508478 [1,1,0,0,0,0|2,0,0]=4 3358 B5R0.2 CNCCOC MCULE-2857904484 [1,1,0,0,0,0|2,0,0]=4 3359 B5R0.2 CNCCOC MCULE-5342712496 [1,1,0,0,0,0|2,0,0]=4 3360 B5R0.2 CNCCSC MCULE-2812984399 [1,1,0,0,0,0|2,0,0]=4 3361 B5R0.2 CNCCSC MCULE-2942435951 [1,1,0,0,0,0|2,0,0]=4 3362 B5R0.2 COCCC#N MCULE-3009737584 [1,1,0,0,0,0|1,0,1]=4 3363 B5R0.2 COCCC=O MCULE-2812117208 [1,1,0,0,0,0|0,0,0]=2 3364 B5R0.2 COCCCBr MCULE-6489536401 [1,1,0,0,0,0|1,0,1]=4 3365 B5R0.2 COCCCCl MCULE-9192274624 [1,1,0,0,0,0|1,0,1]=4 3366 B5R0.2 COCCCF MCULE-5055725246 [1,1,0,0,0,0|1,0,1]=4 3367 B5R0.2 COCCCI MCULE-9111605439 [1,1,0,0,0,0|1,0,1]=4 3368 B5R0.2 COCCCN MCULE-1421362990 [1,1,0,0,0,0|1,0,1]=4 3369 B5R0.2 COCCCN MCULE-4783132205 [1,1,0,0,0,0|1,0,1]=4 3370 B5R0.2 COCCCO MCULE-4041418048 [1,1,0,0,0,0|0,0,2]=4 3371 B5R0.2 COCCCS MCULE-2371333731 [1,1,0,0,0,0|0,1,1]=4 3372 B5R0.2 COCCNN MCULE-2086510453 [1,1,0,0,0,0|2,0,0]=4 3373 B5R0.2 COCCNN MCULE-4830987822 [1,1,0,0,0,0|2,0,0]=4 3374 B5R0.2 COCCNN MCULE-8361975855 [1,1,0,0,0,0|2,0,0]=4 3375 B5R0.2 COCCOC MCULE-7572196731 [1,1,0,0,0,0|2,0,0]=4 3376 B5R0.2 COCCON MCULE-3507489398 [1,1,0,0,0,0|2,0,0]=4 3377 B5R0.2 COCCON MCULE-8506879697 [1,1,0,0,0,0|2,0,0]=4 3378 B5R0.2 COCCSC MCULE-5362054021 [1,1,0,0,0,0|2,0,0]=4 3379 B5R0.2 COCN=C=O MCULE-6951734265 [1,1,0,0,0,0|1,0,1]=4 3380 B5R0.2 CSCCC#N MCULE-5755086116 [1,1,0,0,0,0|1,0,1]=4 3381 B5R0.2 CSCCC=O MCULE-6273241704 [1,1,0,0,0,0|0,0,0]=2 3382 B5R0.2 CSCCCBr MCULE-8399851816 [1,1,0,0,0,0|1,0,1]=4 3383 B5R0.2 CSCCCCl MCULE-1829120476 [1,1,0,0,0,0|1,0,1]=4 3384 B5R0.2 CSCCCN MCULE-1030938424 [1,1,0,0,0,0|1,0,1]=4 3385 B5R0.2 CSCCCN MCULE-4664984921 [1,1,0,0,0,0|1,0,1]=4 3386 B5R0.2 CSCCCO MCULE-9232413185 [1,1,0,0,0,0|0,0,2]=4 3387 B5R0.2 CSCCCS MCULE-8405766359 [1,1,0,0,0,0|0,1,1]=4 3388 B5R0.2 CSCCON MCULE-9125601960 [1,1,0,0,0,0|2,0,0]=4 3389 B5R0.2 ClCCCCBr MCULE-7973194927 [1,1,0,0,0,0|1,0,1]=4 3390 B5R0.2 ClCCCCCl MCULE-4863501782 [1,1,0,0,0,0|1,0,1]=4 3391 B5R0.2 ClCCCCI MCULE-4303507089 [1,1,0,0,0,0|1,0,1]=4 3392 B5R0.2 FCCCCBr MCULE-8408956872 [1,1,0,0,0,0|1,0,1]=4 3393 B5R0.2 FCCCCF MCULE-1347438150 [1,1,0,0,0,0|1,0,1]=4 3394 B5R0.2 ICCCCI MCULE-1390457250 [1,1,0,0,0,0|1,0,1]=4 3395 B5R0.2 N#CCCC=O MCULE-9521735106 [1,1,0,0,0,0|0,0,1]=3 3396 B5R0.2 N#CCCCBr MCULE-2664469446 [1,1,0,0,0,0|1,0,1]=4 3397 B5R0.2 N#CCCCCl MCULE-3310172135 [1,1,0,0,0,0|1,0,1]=4 3398 B5R0.2 N#CCCCF MCULE-3514322336 [1,1,0,0,0,0|1,0,1]=4 3399 B5R0.2 N#CCCCI MCULE-7661529037 [1,1,0,0,0,0|1,0,1]=4 3400 B5R0.2 N#CCCCN MCULE-7159177087 [1,1,0,0,0,0|1,0,1]=4 3401 B5R0.2 N#CCCCN MCULE-8406710235 [1,1,0,0,0,0|1,0,1]=4 3402 B5R0.2 N#CCCCO MCULE-2108386837 [1,1,0,0,0,0|1,0,1]=4 3403 B5R0.2 N#CCOC=O MCULE-4453241991 [1,1,0,0,0,0|1,0,1]=4 3404 B5R0.2 N#N=NCC=O MCULE-8370335984 [1,1,0,0,0,0|2,0,0]=4 3405 B5R0.2 NCCCCBr MCULE-7095299053 [1,1,0,0,0,0|1,0,1]=4 3406 B5R0.2 NCCCCBr MCULE-7716027825 [1,1,0,0,0,0|1,0,1]=4 3407 B5R0.2 NCCCCCl MCULE-8484381726 [1,1,0,0,0,0|1,0,1]=4 3408 B5R0.2 NCCCCCl MCULE-9917306082 [1,1,0,0,0,0|1,0,1]=4 3409 B5R0.2 NCCCCF MCULE-4260727945 [1,1,0,0,0,0|1,0,1]=4 3410 B5R0.2 NCCCCF MCULE-7716720921 [1,1,0,0,0,0|1,0,1]=4 3411 B5R0.2 NCCCCN MCULE-3098044935 [1,1,0,0,0,0|1,0,1]=4 3412 B5R0.2 NCCCCN MCULE-7898833229 [1,1,0,0,0,0|1,0,1]=4 3413 B5R0.2 NCCCCN MCULE-8029479697 [1,1,0,0,0,0|1,0,1]=4 3414 B5R0.2 NCCCCN MCULE-8509656776 [1,1,0,0,0,0|1,0,1]=4 3415 B5R0.2 NCCCCO MCULE-7395674091 [1,1,0,0,0,0|0,0,2]=4 3416 B5R0.2 NCCCCS MCULE-4353910418 [1,1,0,0,0,0|0,1,1]=4 3417 B5R0.2 NCCCCS MCULE-9812416858 [1,1,0,0,0,0|0,1,1]=4 3418 B5R0.2 NCCCNN MCULE-7657257572 [1,1,0,0,0,0|2,0,0]=4 3419 B5R0.2 NCCCON MCULE-1071170242 [1,1,0,0,0,0|2,0,0]=4 3420 B5R0.2 NCCCON MCULE-7767315563 [1,1,0,0,0,0|2,0,0]=4 3421 B5R0.2 NNCCCO MCULE-5557482626 [1,1,0,0,0,0|2,0,0]=4 3422 B5R0.2 NNCCCO MCULE-7351853032 [1,1,0,0,0,0|2,0,0]=4 3423 B5R0.2 NNCCCO MCULE-7919314403 [1,1,0,0,0,0|2,0,0]=4 3424 B5R0.2 NOCCCO MCULE-1072312935 [1,1,0,0,0,0|2,0,0]=4 3425 B5R0.2 NOCCCO MCULE-3715520109 [1,1,0,0,0,0|2,0,0]=4 3426 B5R0.2 NOCCCS MCULE-2063976508 [1,1,0,0,0,0|2,0,0]=4 3427 B5R0.2 NOCCCS MCULE-3464018652 [1,1,0,0,0,0|2,0,0]=4 3428 B5R0.2 O=C=NCCBr MCULE-9707894644 [1,1,0,0,0,0|1,0,1]=4 3429 B5R0.2 O=C=NCCCl MCULE-8919918461 [1,1,0,0,0,0|1,0,1]=4 3430 B5R0.2 O=CCCC=O MCULE-3362810468 [1,1,0,0,0,0|0,0,1]=3 3431 B5R0.2 O=CCCC=O MCULE-3813951568 [1,1,0,0,0,0|0,0,1]=3 3432 B5R0.2 O=CCCCBr MCULE-7239613396 [1,1,0,0,0,0|0,0,0]=2 3433 B5R0.2 O=CCCCCl MCULE-3011225716 [1,1,0,0,0,0|0,0,0]=2 3434 B5R0.2 O=CCCCI MCULE-3153720790 [1,1,0,0,0,0|0,0,0]=2 3435 B5R0.2 O=CCCCO MCULE-8728420992 [1,1,0,0,0,0|0,0,0]=2 3436 B5R0.2 O=CNCCO MCULE-3688614090 [1,1,0,0,0,0|1,0,0]=3 3437 B5R0.2 O=COCCO MCULE-1922672843 [1,1,0,0,0,0|1,0,0]=3 3438 B5R0.2 OC=CCCBr MCULE-3964604828 [1,1,0,0,0,0|0,0,2]=4 3439 B5R0.2 OC=CCCBr MCULE-5728835735 [1,1,0,0,0,0|0,0,2]=4 3440 B5R0.2 OCCCCBr MCULE-9231591925 [1,1,0,0,0,0|0,0,2]=4 3441 B5R0.2 OCCCCCl MCULE-3507644812 [1,1,0,0,0,0|0,0,2]=4 3442 B5R0.2 OCCCCF MCULE-9242285588 [1,1,0,0,0,0|0,0,2]=4 3443 B5R0.2 OCCCCI MCULE-8723720522 [1,1,0,0,0,0|0,0,2]=4 3444 B5R0.2 OCCCCO MCULE-2010022287 [1,1,0,0,0,0|0,0,2]=4 3445 B5R0.2 OCCCCO MCULE-6551106098 [1,1,0,0,0,0|0,0,2]=4 3446 B5R0.2 OCCCCS MCULE-8169490949 [1,1,0,0,0,0|0,0,2]=4 3447 B5R0.2 SCCCCS MCULE-6695609899 [1,1,0,0,0,0|0,1,1]=4 3448 B7R0.2 C#CC(C)CC(=O)O MCULE-8780802803 [0,2,0,0,0,0|0,0,2]=4 3449 B7R0.2 C(O)(CN)CC(=O)O MCULE-8378388788 [0,2,0,0,0,0|2,0,0]=4 3450 B7R0.2 C/C(=C/N(C)C)/C=O MCULE-5191348171 [0,2,0,0,0,0|0,0,2]=4 3451 B7R0.2 C/C(=C\N(C)C)/C=O MCULE-4104391160 [0,2,0,0,0,0|0,0,2]=4 3452 B7R0.2 C=C(C)CC(C)CC MCULE-1001667584 [0,2,0,0,0,0|1,0,0]=3 3453 B7R0.2 C=CC(C)CC(=O)O MCULE-4817084034 [0,2,0,0,0,0|0,0,2]=4 3454 B7R0.2 C=CC(C)CC(C)C MCULE-9111388336 [0,2,0,0,0,0|1,0,0]=3 3455 B7R0.2 C=CC(C)OC(=O)C MCULE-9221300039 [0,2,0,0,0,0|0,0,2]=4 3456 B7R0.2 C=CC(O)CC(C)C MCULE-7389371130 [0,2,0,0,0,0|2,0,0]=4 3457 B7R0.2 CC(=CN(C)C)C=O MCULE-6590049848 [0,2,0,0,0,0|0,0,2]=4 3458 B7R0.2 CC(=O)NC(C)CN MCULE-4226474809 [0,2,0,0,0,0|1,0,0]=3 3459 B7R0.2 CC(=O)NC(C)CN MCULE-7570690280 [0,2,0,0,0,0|1,0,0]=3 3460 B7R0.2 CC(=O)NC(C)CO MCULE-9455210462 [0,2,0,0,0,0|1,0,0]=3 3461 B7R0.2 CC(=O)N[C@H](C)CO MCULE-2174899443 [0,2,0,0,0,0|1,0,0]=3 3462 B7R0.2 CC(=O)N[C@H](C)CO MCULE-5097293473 [0,2,0,0,0,0|1,0,0]=3 3463 B7R0.2 CC(=O)OC(Br)CBr MCULE-7215936142 [0,2,0,0,0,0|2,0,0]=4 3464 B7R0.2 CC(C#N)CN(C)C MCULE-7558052841 [0,2,0,0,0,0|1,0,1]=4 3465 B7R0.2 CC(C#N)NC(=O)N MCULE-6628848826 [0,2,0,0,0,0|1,0,1]=4 3466 B7R0.2 CC(C)CC(C)C=O MCULE-4209363554 [0,2,0,0,0,0|0,0,0]=2 3467 B7R0.2 CC(C)CC(C)CBr MCULE-6800285380 [0,2,0,0,0,0|1,0,1]=4 3468 B7R0.2 CC(C)CC(C)CO MCULE-5856507691 [0,2,0,0,0,0|0,0,2]=4 3469 B7R0.2 CC(C)CN(C)N=O MCULE-1639713023 [0,2,0,0,0,0|2,0,0]=4 3470 B7R0.2 CC(C)C[C@H](N)C=O MCULE-3713415627 [0,2,0,0,0,0|1,0,0]=3 3471 B7R0.2 CC(CBr)CC(F)F MCULE-3122361238 [0,2,0,0,0,0|1,0,1]=4 3472 B7R0.2 CC(CC(=O)O)NN MCULE-2614719429 [0,2,0,0,0,0|2,0,0]=4 3473 B7R0.2 CC(CC(=O)O)NN MCULE-2739806820 [0,2,0,0,0,0|2,0,0]=4 3474 B7R0.2 CC(CCl)CC(=O)Cl MCULE-3163826919 [0,2,0,0,0,0|1,0,0]=3 3475 B7R0.2 CC(CCl)CN(C)C MCULE-4809914471 [0,2,0,0,0,0|1,0,1]=4 3476 B7R0.2 CC(CCl)CN(C)C MCULE-7169724566 [0,2,0,0,0,0|1,0,1]=4 3477 B7R0.2 CC(CCl)OC(=O)N MCULE-7734729292 [0,2,0,0,0,0|1,0,0]=3 3478 B7R0.2 CC(CN)CC(=O)O MCULE-1594242184 [0,2,0,0,0,0|1,0,0]=3 3479 B7R0.2 CC(CN)CC(=O)O MCULE-8074816359 [0,2,0,0,0,0|1,0,0]=3 3480 B7R0.2 CC(CN)CC(F)F MCULE-2945792041 [0,2,0,0,0,0|1,0,1]=4 3481 B7R0.2 CC(CN)CC(F)F MCULE-5449897456 [0,2,0,0,0,0|1,0,1]=4 3482 B7R0.2 CC(CN)CN(C)C MCULE-4741402612 [0,2,0,0,0,0|1,0,1]=4 3483 B7R0.2 CC(CO)CC(F)F MCULE-1470130605 [0,2,0,0,0,0|0,0,2]=4 3484 B7R0.2 CC(CO)CN(C)C MCULE-3103307387 [0,2,0,0,0,0|0,0,2]=4 3485 B7R0.2 CC(O)CC(C)CN MCULE-3086796159 [0,2,0,0,0,0|1,0,1]=4 3486 B7R0.2 CCC(=CC(=O)O)C MCULE-3864767099 [0,2,0,0,0,0|0,0,1]=3 3487 B7R0.2 CCC(=CC(C)C)C MCULE-7337557698 [0,2,0,0,0,0|1,0,1]=4 3488 B7R0.2 CCC(=O)CC(=O)C MCULE-1892470405 [0,2,0,0,0,0|1,0,1]=4 3489 B7R0.2 CCC(=O)CC(=O)O MCULE-1083768149 [0,2,0,0,0,0|1,0,1]=4 3490 B7R0.2 CCC(=O)OC(=O)C MCULE-8264492254 [0,2,0,0,0,0|1,0,1]=4 3491 B7R0.2 CCC(C)CB(O)O MCULE-4978906892 [0,2,0,0,0,0|0,0,2]=4 3492 B7R0.2 CCC(C)CC(=N)N MCULE-6434778899 [0,2,0,0,0,0|1,0,0]=3 3493 B7R0.2 CCC(C)CC(=N)N MCULE-7964734356 [0,2,0,0,0,0|1,0,0]=3 3494 B7R0.2 CCC(C)CC(=O)C MCULE-5801548800 [0,2,0,0,0,0|0,0,0]=2 3495 B7R0.2 CCC(C)CC(=O)Cl MCULE-3063561496 [0,2,0,0,0,0|0,0,0]=2 3496 B7R0.2 CCC(C)CC(=O)O MCULE-3409782202 [0,2,0,0,0,0|0,0,0]=2 3497 B7R0.2 CCC(C)CC(=O)O MCULE-6537278030 [0,2,0,0,0,0|0,0,0]=2 3498 B7R0.2 CCC(C)CC(C)C MCULE-9492683095 [0,2,0,0,0,0|1,0,1]=4 3499 B7R0.2 CCC(C)CC(C)N MCULE-2633957870 [0,2,0,0,0,0|1,0,1]=4 3500 B7R0.2 CCC(C)CC(C)N MCULE-5740038174 [0,2,0,0,0,0|1,0,1]=4 3501 B7R0.2 CCC(C)NC(=O)N MCULE-6186330882 [0,2,0,0,0,0|0,0,0]=2 3502 B7R0.2 CCC(C)NC(=S)N MCULE-8856391382 [0,2,0,0,0,0|0,1,0]=3 3503 B7R0.2 CCC(C)OC(=O)C MCULE-8410375215 [0,2,0,0,0,0|0,0,0]=2 3504 B7R0.2 CCC(C)OC(=O)Cl MCULE-1512790698 [0,2,0,0,0,0|0,0,0]=2 3505 B7R0.2 CCC(C)SC(=O)Cl MCULE-4681925921 [0,2,0,0,0,0|0,0,0]=2 3506 B7R0.2 CCC(N)CC(=O)O MCULE-1744910444 [0,2,0,0,0,0|1,0,0]=3 3507 B7R0.2 CCC(N)CC(=O)O MCULE-5610499925 [0,2,0,0,0,0|1,0,0]=3 3508 B7R0.2 CCC(O)CC(=O)C MCULE-1222748729 [0,2,0,0,0,0|1,0,0]=3 3509 B7R0.2 CCC(O)CC(=O)O MCULE-4663578527 [0,2,0,0,0,0|1,0,0]=3 3510 B7R0.2 CCC(O)CN(=O)=O MCULE-6965491054 [0,2,0,0,0,0|1,0,1]=4 3511 B7R0.2 CCN(C)CC(=O)C MCULE-5302720081 [0,2,0,0,0,0|1,0,0]=3 3512 B7R0.2 CCN(C)CC(=O)C MCULE-7283054437 [0,2,0,0,0,0|1,0,0]=3 3513 B7R0.2 CCN(C)CC(=O)O MCULE-3102395413 [0,2,0,0,0,0|1,0,0]=3 3514 B7R0.2 CCS(=O)CC(=O)O MCULE-5648298475 [0,2,0,0,0,0|2,0,0]=4 3515 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-5550070887 [0,2,0,0,0,0|0,0,0]=2 3516 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-9572363620 [0,2,0,0,0,0|0,0,0]=2 3517 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-1158271004 [0,2,0,0,0,0|1,0,0]=3 3518 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-2354820947 [0,2,0,0,0,0|1,0,0]=3 3519 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-4284161835 [0,2,0,0,0,0|1,0,0]=3 3520 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-9523089766 [0,2,0,0,0,0|1,0,0]=3 3521 B7R0.2 CC[C@H](C)CC(=O)O MCULE-4177365854 [0,2,0,0,0,0|0,0,0]=2 3522 B7R0.2 CC[C@H](C)CC(=O)O MCULE-5173108207 [0,2,0,0,0,0|0,0,0]=2 3523 B7R0.2 CC[C@H](N)CC(=O)O MCULE-1463536674 [0,2,0,0,0,0|1,0,0]=3 3524 B7R0.2 CC[C@H](N)CC(=O)O MCULE-2865599647 [0,2,0,0,0,0|1,0,0]=3 3525 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4506847599 [0,2,0,0,0,0|1,0,0]=3 3526 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4819674539 [0,2,0,0,0,0|1,0,0]=3 3527 B7R0.2 CN(C=O)CC(=O)O MCULE-2679649056 [0,2,0,0,0,0|1,0,1]=4 3528 B7R0.2 CNC(=CC(=O)C)C MCULE-1943688292 [0,2,0,0,0,0|1,0,1]=4 3529 B7R0.2 CNC(C)CC(=O)N MCULE-1474658720 [0,2,0,0,0,0|1,0,0]=3 3530 B7R0.2 CNC(C)CC(=O)N MCULE-4481385519 [0,2,0,0,0,0|1,0,0]=3 3531 B7R0.2 CNC(C)CC(=O)O MCULE-6592893730 [0,2,0,0,0,0|1,0,0]=3 3532 B7R0.2 CNC(C)CC(=O)O MCULE-7655437452 [0,2,0,0,0,0|1,0,0]=3 3533 B7R0.2 CNC(C)CC(C)C MCULE-4458579180 [0,2,0,0,0,0|2,0,0]=4 3534 B7R0.2 CNC(C)CC(C)C MCULE-9768203107 [0,2,0,0,0,0|2,0,0]=4 3535 B7R0.2 CNC(C)CS(=O)C MCULE-5598071425 [0,2,0,0,0,0|1,0,1]=4 3536 B7R0.2 CO/C(=C/C(=O)O)/C MCULE-5031076713 [0,2,0,0,0,0|1,0,1]=4 3537 B7R0.2 COC(=CC(=O)C)C MCULE-1939113485 [0,2,0,0,0,0|1,0,1]=4 3538 B7R0.2 COC(=CC(=O)O)C MCULE-2215306459 [0,2,0,0,0,0|1,0,1]=4 3539 B7R0.2 COC(C)CC(=O)O MCULE-7063015720 [0,2,0,0,0,0|1,0,0]=3 3540 B7R0.2 COC(C)CC(C)O MCULE-3635789827 [0,2,0,0,0,0|2,0,0]=4 3541 B7R0.2 CSC(C)CC(=O)O MCULE-7827833531 [0,2,0,0,0,0|1,0,0]=3 3542 B7R0.2 C[C@H](CN)CC(=O)O MCULE-4808630217 [0,2,0,0,0,0|1,0,0]=3 3543 B7R0.2 C[C@H](CN)CC(=O)O MCULE-5474405940 [0,2,0,0,0,0|1,0,0]=3 3544 B7R0.2 NC(CO)CC(=O)O MCULE-4749383822 [0,2,0,0,0,0|2,0,0]=4 3545 B7R0.2 NC(CO)CC(=O)O MCULE-7973334774 [0,2,0,0,0,0|2,0,0]=4 3546 B7R0.2 NC(CO)CC(=O)O MCULE-8406665261 [0,2,0,0,0,0|2,0,0]=4 3547 B7R0.2 NCC(N)CC(=O)O MCULE-5523883615 [0,2,0,0,0,0|2,0,0]=4 3548 B7R0.2 NCC(N)CC(=O)O MCULE-7594259237 [0,2,0,0,0,0|2,0,0]=4 3549 B7R0.2 NCC(O)CC(=O)O MCULE-9221352157 [0,2,0,0,0,0|2,0,0]=4 3550 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-6348974465 [0,2,0,0,0,0|2,0,0]=4 3551 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-9397628218 [0,2,0,0,0,0|2,0,0]=4 3552 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-2174350055 [0,2,0,0,0,0|2,0,0]=4 3553 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-8177708130 [0,2,0,0,0,0|2,0,0]=4 3554 B7R0.2 NC[C@H](N)CC(=O)O MCULE-6133569516 [0,2,0,0,0,0|2,0,0]=4 3555 B7R0.2 NC[C@H](N)CC(=O)O MCULE-7098533469 [0,2,0,0,0,0|2,0,0]=4 3556 B7R0.2 NC[C@H](O)CC(=O)O MCULE-6634973995 [0,2,0,0,0,0|2,0,0]=4 3557 B7R0.2 NC[C@H](O)CC(=O)O MCULE-8055679819 [0,2,0,0,0,0|2,0,0]=4 3558 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-1773927420 [0,2,0,0,0,0|2,0,0]=4 3559 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-2797951743 [0,2,0,0,0,0|2,0,0]=4 3560 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-3839766977 [0,2,0,0,0,0|2,0,0]=4 3561 B7R0.2 N[C@H](CO)CC(=O)O MCULE-4130106630 [0,2,0,0,0,0|2,0,0]=4 3562 B7R0.2 O=C(O)CC(O)CO MCULE-2851149196 [0,2,0,0,0,0|2,0,0]=4 3563 B7R0.2 O=C(O)C[C@H](O)CO MCULE-5671818548 [0,2,0,0,0,0|2,0,0]=4 3564 B7R0.2 O=C([O-])CC(O)CO MCULE-5202762172 [0,2,0,0,0,0|2,0,0]=4 3565 B7R0.2 O=C([O-])CC(O)CO MCULE-6219855770 [0,2,0,0,0,0|2,0,0]=4 3566 B7R0.2 [NH3+][C@H](CO)CC(=O)[O-] MCULE-5131942851 [0,2,0,0,0,0|2,0,0]=4 3567 B7R0.3 C=C(C=O)CCC#N MCULE-3479954551 [0,2,0,0,0,0|0,0,2]=4 3568 B7R0.3 C=C(C=O)CCCC MCULE-4974026399 [0,2,0,0,0,0|0,0,2]=4 3569 B7R0.3 C=CC(O)CCCC MCULE-1674668011 [0,2,0,0,0,0|2,0,0]=4 3570 B7R0.3 C=CCCC(C)C#N MCULE-9800999429 [0,2,0,0,0,0|1,0,1]=4 3571 B7R0.3 C=CCCC(C)CN MCULE-2246705867 [0,2,0,0,0,0|1,0,1]=4 3572 B7R0.3 C=CCCC(C)CN MCULE-5238030814 [0,2,0,0,0,0|1,0,1]=4 3573 B7R0.3 C=CCCC(N)CC MCULE-4520234599 [0,2,0,0,0,0|2,0,0]=4 3574 B7R0.3 C=CCCC(N)CC MCULE-9493759139 [0,2,0,0,0,0|2,0,0]=4 3575 B7R0.3 C=CCCC(O)CC MCULE-1265881694 [0,2,0,0,0,0|2,0,0]=4 3576 B7R0.3 C=CCOC(C)CN MCULE-7634569955 [0,2,0,0,0,0|2,0,0]=4 3577 B7R0.3 C=CCO[C@@H](C)CN MCULE-4623222070 [0,2,0,0,0,0|2,0,0]=4 3578 B7R0.3 C=CCO[C@@H](C)CO MCULE-6699692288 [0,2,0,0,0,0|2,0,0]=4 3579 B7R0.3 CC(C#N)CCC#N MCULE-7948505358 [0,2,0,0,0,0|1,0,1]=4 3580 B7R0.3 CC(C#N)OCCBr MCULE-3358143980 [0,2,0,0,0,0|1,0,1]=4 3581 B7R0.3 CC(C=O)CCC#N MCULE-6355316754 [0,2,0,0,0,0|0,0,0]=2 3582 B7R0.3 CC(CBr)OCCBr MCULE-2889401501 [0,2,0,0,0,0|1,0,1]=4 3583 B7R0.3 CC(CCCO)NN MCULE-8201748999 [0,2,0,0,0,0|2,0,0]=4 3584 B7R0.3 CC(CN)CCCN MCULE-1249275042 [0,2,0,0,0,0|1,0,1]=4 3585 B7R0.3 CC(CN)CCCO MCULE-2908684674 [0,2,0,0,0,0|1,0,1]=4 3586 B7R0.3 CC(CN)CCCO MCULE-5608783947 [0,2,0,0,0,0|1,0,1]=4 3587 B7R0.3 CC(CN)CCCO MCULE-9269954426 [0,2,0,0,0,0|1,0,1]=4 3588 B7R0.3 CC(CO)CCCO MCULE-8589885622 [0,2,0,0,0,0|0,0,2]=4 3589 B7R0.3 CC(CO)NCCO MCULE-5180763491 [0,2,0,0,0,0|0,0,2]=4 3590 B7R0.3 CC/C=C/C(C)CC MCULE-2438890702 [0,2,0,0,0,0|1,0,0]=3 3591 B7R0.3 CC=CCC(C)CC MCULE-4817855750 [0,2,0,0,0,0|1,0,0]=3 3592 B7R0.3 CCC(=O)/C=C/C=O MCULE-5654548275 [0,2,0,0,0,0|1,0,1]=4 3593 B7R0.3 CCC(=O)C=CC=O MCULE-8246295239 [0,2,0,0,0,0|1,0,1]=4 3594 B7R0.3 CCC(C)CCCO MCULE-2323419626 [0,2,0,0,0,0|0,0,2]=4 3595 B7R0.3 CCC(C)CN=C=S MCULE-2028313910 [0,2,0,0,0,0|0,1,1]=4 3596 B7R0.3 CCC(C)NCCO MCULE-1340916666 [0,2,0,0,0,0|0,0,2]=4 3597 B7R0.3 CCC(O)C=CC=O MCULE-4385008411 [0,2,0,0,0,0|1,0,0]=3 3598 B7R0.3 CCC=CC(C)CC MCULE-8910467842 [0,2,0,0,0,0|1,0,0]=3 3599 B7R0.3 CCCC=C(C)CC MCULE-4699949699 [0,2,0,0,0,0|1,0,1]=4 3600 B7R0.3 CCCCC(C)CC MCULE-9471981954 [0,2,0,0,0,0|1,0,1]=4 3601 B7R0.3 CCCCC(C)NC MCULE-7492621121 [0,2,0,0,0,0|2,0,0]=4 3602 B7R0.3 CCCCC(Cl)C=O MCULE-7474969991 [0,2,0,0,0,0|1,0,0]=3 3603 B7R0.3 CCCC[C@H](C)C=O MCULE-7821873587 [0,2,0,0,0,0|0,0,0]=2 3604 B7R0.3 CCCNC(C)CC MCULE-8533643430 [0,2,0,0,0,0|1,0,1]=4 3605 B7R0.3 CCCNC(C)CO MCULE-6575712324 [0,2,0,0,0,0|0,0,2]=4 3606 B7R0.3 CCCOC(C)CN MCULE-2816840734 [0,2,0,0,0,0|1,0,1]=4 3607 B7R0.3 CCCOC(C)CN MCULE-6461157704 [0,2,0,0,0,0|1,0,1]=4 3608 B7R0.3 CCNCC(C)C#N MCULE-5920854475 [0,2,0,0,0,0|1,0,1]=4 3609 B7R0.3 CCNCC(C)CC MCULE-8768620428 [0,2,0,0,0,0|1,0,1]=4 3610 B7R0.3 CCNCC(C)CC MCULE-9491990692 [0,2,0,0,0,0|1,0,1]=4 3611 B7R0.3 CCNCC(C)OC MCULE-9115511555 [0,2,0,0,0,0|2,0,0]=4 3612 B7R0.3 CCO/C=C(/C)\C=O MCULE-3167895853 [0,2,0,0,0,0|0,0,1]=3 3613 B7R0.3 CCO/C=C(\C)/C=O MCULE-5904529641 [0,2,0,0,0,0|0,0,1]=3 3614 B7R0.3 CCOC=C(C)C=O MCULE-8349392891 [0,2,0,0,0,0|0,0,1]=3 3615 B7R0.3 CCOCC(C)CO MCULE-6831759423 [0,2,0,0,0,0|0,0,2]=4 3616 B7R0.3 CCSCC(C)NC MCULE-6245105657 [0,2,0,0,0,0|2,0,0]=4 3617 B7R0.3 CCSCC(C)NN MCULE-5847763411 [0,2,0,0,0,0|2,0,0]=4 3618 B7R0.3 CC[C@H](C)CCCO MCULE-1760153718 [0,2,0,0,0,0|0,0,2]=4 3619 B7R0.3 CC[C@H](C)CCCO MCULE-3488695651 [0,2,0,0,0,0|0,0,2]=4 3620 B7R0.3 CNC(C)CCSC MCULE-2095620023 [0,2,0,0,0,0|2,0,0]=4 3621 B7R0.3 COCCC(C)CN MCULE-7288397543 [0,2,0,0,0,0|1,0,1]=4 3622 B7R0.3 COCOC(C)CO MCULE-5033492685 [0,2,0,0,0,0|0,0,2]=4 3623 B7R0.3 COCO[C@@H](C)CO MCULE-2279257941 [0,2,0,0,0,0|0,0,2]=4 3624 B7R0.3 COCO[C@H](C)CO MCULE-6639618074 [0,2,0,0,0,0|0,0,2]=4 3625 B7R0.3 COCO[C@H](C)CO MCULE-9421136678 [0,2,0,0,0,0|0,0,2]=4 3626 B7R0.3 C[C@@H](CN)CCCO MCULE-2859776250 [0,2,0,0,0,0|1,0,1]=4 3627 B7R0.3 C[C@@H](CN)CCCO MCULE-3245433953 [0,2,0,0,0,0|1,0,1]=4 3628 B7R0.3 C[C@@H](CN)CCCO MCULE-7698870351 [0,2,0,0,0,0|1,0,1]=4 3629 B7R0.3 C[C@@H](CN)CCCO MCULE-9900676606 [0,2,0,0,0,0|1,0,1]=4 3630 B7R0.5 C#CCC(C)C(=O)O MCULE-4819055703 [0,2,0,0,0,0|0,0,1]=3 3631 B7R0.5 C#CCC(F)C(=O)O MCULE-1070671235 [0,2,0,0,0,0|1,0,1]=4 3632 B7R0.5 C#CCC(N)C(=O)O MCULE-2022398365 [0,2,0,0,0,0|1,0,1]=4 3633 B7R0.5 C#CCC(N)C(=O)O MCULE-2451098139 [0,2,0,0,0,0|1,0,1]=4 3634 B7R0.5 C#CCC(N)C(=O)O MCULE-4330300997 [0,2,0,0,0,0|1,0,1]=4 3635 B7R0.5 C#CCC(N)C(=O)O MCULE-5100293043 [0,2,0,0,0,0|1,0,1]=4 3636 B7R0.5 C#CCC(O)C(=O)O MCULE-4988425198 [0,2,0,0,0,0|1,0,1]=4 3637 B7R0.5 C#CCN(C)C(=O)C MCULE-6473061855 [0,2,0,0,0,0|1,0,1]=4 3638 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-1266511504 [0,2,0,0,0,0|1,0,1]=4 3639 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-2589808316 [0,2,0,0,0,0|1,0,1]=4 3640 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-4703021434 [0,2,0,0,0,0|1,0,1]=4 3641 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-5616417783 [0,2,0,0,0,0|1,0,1]=4 3642 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-1593368546 [0,2,0,0,0,0|1,0,1]=4 3643 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-5683421535 [0,2,0,0,0,0|1,0,1]=4 3644 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-7302855511 [0,2,0,0,0,0|1,0,1]=4 3645 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-9256626051 [0,2,0,0,0,0|1,0,1]=4 3646 B7R0.5 C=C(CCC)C(=O)O MCULE-5702167426 [0,2,0,0,0,0|0,0,2]=4 3647 B7R0.5 C=C(CCO)C(=O)O MCULE-3336434079 [0,2,0,0,0,0|0,0,2]=4 3648 B7R0.5 C=C(COC)C(=O)O MCULE-8964616960 [0,2,0,0,0,0|0,0,2]=4 3649 B7R0.5 C=C=CC(C)C(=O)O MCULE-3438905862 [0,2,0,0,0,0|0,0,2]=4 3650 B7R0.5 C=CCC(C)C(=N)N MCULE-3296730912 [0,2,0,0,0,0|1,0,1]=4 3651 B7R0.5 C=CCC(C)C(=N)N MCULE-6538157119 [0,2,0,0,0,0|1,0,1]=4 3652 B7R0.5 C=CCC(C)C(=O)C MCULE-4395269639 [0,2,0,0,0,0|0,0,1]=3 3653 B7R0.5 C=CCC(C)C(=O)O MCULE-2912410432 [0,2,0,0,0,0|0,0,1]=3 3654 B7R0.5 C=CCC(C)C(C)C MCULE-8461199830 [0,2,0,0,0,0|1,0,0]=3 3655 B7R0.5 C=CCC(N)C(=O)O MCULE-1550468430 [0,2,0,0,0,0|1,0,1]=4 3656 B7R0.5 C=CCC(N)C(=O)O MCULE-1783682768 [0,2,0,0,0,0|1,0,1]=4 3657 B7R0.5 C=CCC(N)C(=O)O MCULE-8721864064 [0,2,0,0,0,0|1,0,1]=4 3658 B7R0.5 C=CCC(N)C(=O)O MCULE-9091562338 [0,2,0,0,0,0|1,0,1]=4 3659 B7R0.5 C=CCC(O)C(=O)O MCULE-6418899544 [0,2,0,0,0,0|1,0,1]=4 3660 B7R0.5 C=CCC(O)C(C)C MCULE-2334905388 [0,2,0,0,0,0|2,0,0]=4 3661 B7R0.5 C=CCN(C)C(=O)N MCULE-1459320786 [0,2,0,0,0,0|1,0,1]=4 3662 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-3817126030 [0,2,0,0,0,0|1,0,1]=4 3663 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-5479618260 [0,2,0,0,0,0|1,0,1]=4 3664 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-6719393730 [0,2,0,0,0,0|1,0,1]=4 3665 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-7577627870 [0,2,0,0,0,0|1,0,1]=4 3666 B7R0.5 C=CC[C@@H](O)C(=O)O MCULE-4103471826 [0,2,0,0,0,0|1,0,1]=4 3667 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-2073484196 [0,2,0,0,0,0|1,0,1]=4 3668 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-3267648941 [0,2,0,0,0,0|1,0,1]=4 3669 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-4183531139 [0,2,0,0,0,0|1,0,1]=4 3670 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-8225762047 [0,2,0,0,0,0|1,0,1]=4 3671 B7R0.5 C=CC[C@H](O)C(=O)O MCULE-8230827617 [0,2,0,0,0,0|1,0,1]=4 3672 B7R0.5 CC(=O)C(C)CCBr MCULE-4705039689 [0,2,0,0,0,0|0,0,0]=2 3673 B7R0.5 CC(=O)C(C)CCCl MCULE-2960091698 [0,2,0,0,0,0|0,0,0]=2 3674 B7R0.5 CC(=O)C(C)CCO MCULE-3907160101 [0,2,0,0,0,0|0,0,0]=2 3675 B7R0.5 CC(=O)C(Cl)CCCl MCULE-4634341484 [0,2,0,0,0,0|1,0,0]=3 3676 B7R0.5 CC(=O)C(Cl)CCO MCULE-1606704903 [0,2,0,0,0,0|1,0,0]=3 3677 B7R0.5 CC(=O)N(C)CCN MCULE-3153405152 [0,2,0,0,0,0|1,0,0]=3 3678 B7R0.5 CC(=O)N(C)CCN MCULE-4043248689 [0,2,0,0,0,0|1,0,0]=3 3679 B7R0.5 CC(=O)N(C)CCO MCULE-4135818139 [0,2,0,0,0,0|1,0,0]=3 3680 B7R0.5 CC(C)C(C)CCO MCULE-9837449555 [0,2,0,0,0,0|0,0,2]=4 3681 B7R0.5 CC(C)C(C)N=C=O MCULE-2911676446 [0,2,0,0,0,0|0,0,1]=3 3682 B7R0.5 CC(C)C(C)N=C=S MCULE-2850451977 [0,2,0,0,0,0|0,1,1]=4 3683 B7R0.5 CC(C)[C@@H](C)N=C=S MCULE-3092055671 [0,2,0,0,0,0|0,1,1]=4 3684 B7R0.5 CC(C)[C@@H](C)N=C=S MCULE-6664975182 [0,2,0,0,0,0|0,1,1]=4 3685 B7R0.5 CC(CCCl)C(=O)Cl MCULE-4844969943 [0,2,0,0,0,0|0,0,0]=2 3686 B7R0.5 CC(CCN)C(=O)O MCULE-8098419324 [0,2,0,0,0,0|0,0,0]=2 3687 B7R0.5 CC(CCN)C(=O)O MCULE-8509861009 [0,2,0,0,0,0|0,0,0]=2 3688 B7R0.5 CC(CCN)N(C)C MCULE-6425205723 [0,2,0,0,0,0|2,0,0]=4 3689 B7R0.5 CC(CCN)S(=O)C MCULE-4983155747 [0,2,0,0,0,0|1,0,0]=3 3690 B7R0.5 CC(CCO)C(=O)N MCULE-3037868887 [0,2,0,0,0,0|0,0,0]=2 3691 B7R0.5 CC(CCO)C(=O)O MCULE-9724304469 [0,2,0,0,0,0|0,0,0]=2 3692 B7R0.5 CC(CCO)C(=O)[O-] MCULE-2278638513 [0,2,0,0,0,0|0,0,0]=2 3693 B7R0.5 CC(CCO)N(C)C MCULE-4175956173 [0,2,0,0,0,0|2,0,0]=4 3694 B7R0.5 CC(N=N#N)C(=O)N MCULE-4148116960 [0,2,0,0,0,0|2,0,0]=4 3695 B7R0.5 CC(N=N#N)C(=O)O MCULE-1449528032 [0,2,0,0,0,0|2,0,0]=4 3696 B7R0.5 CC(N=N#N)C(=O)O MCULE-6367123914 [0,2,0,0,0,0|2,0,0]=4 3697 B7R0.5 CC(NC=O)C(=O)O MCULE-7277951464 [0,2,0,0,0,0|1,0,1]=4 3698 B7R0.5 CC/C=C(\C)/C(=O)O MCULE-1290613859 [0,2,0,0,0,0|0,0,1]=3 3699 B7R0.5 CC=CC(C)C(=O)O MCULE-5584906296 [0,2,0,0,0,0|0,0,1]=3 3700 B7R0.5 CC=CC(O)C(=O)O MCULE-5249095255 [0,2,0,0,0,0|1,0,1]=4 3701 B7R0.5 CCC=C(C)C(=O)O MCULE-5045441145 [0,2,0,0,0,0|0,0,1]=3 3702 B7R0.5 CCC=C(F)C(=O)O MCULE-6630499680 [0,2,0,0,0,0|1,0,1]=4 3703 B7R0.5 CCCC(=O)C(=O)C MCULE-8267463586 [0,2,0,0,0,0|1,0,1]=4 3704 B7R0.5 CCCC(=O)C(=O)N MCULE-6625605588 [0,2,0,0,0,0|1,0,1]=4 3705 B7R0.5 CCCC(=O)C(=O)O MCULE-5281491858 [0,2,0,0,0,0|1,0,1]=4 3706 B7R0.5 CCCC(Br)C(=O)C MCULE-2062903416 [0,2,0,0,0,0|1,0,0]=3 3707 B7R0.5 CCCC(Br)C(=O)O MCULE-4304229911 [0,2,0,0,0,0|1,0,0]=3 3708 B7R0.5 CCCC(C)C(=O)C MCULE-5585795289 [0,2,0,0,0,0|0,0,0]=2 3709 B7R0.5 CCCC(C)C(=O)Cl MCULE-4855016209 [0,2,0,0,0,0|0,0,0]=2 3710 B7R0.5 CCCC(C)C(=O)N MCULE-1948746391 [0,2,0,0,0,0|0,0,0]=2 3711 B7R0.5 CCCC(C)C(=O)O MCULE-7779384365 [0,2,0,0,0,0|0,0,0]=2 3712 B7R0.5 CCCC(C)C(C)C MCULE-1008931357 [0,2,0,0,0,0|1,0,1]=4 3713 B7R0.5 CCCC(C)C(C)N MCULE-3555650010 [0,2,0,0,0,0|1,0,1]=4 3714 B7R0.5 CCCC(C)C(C)N MCULE-8637319249 [0,2,0,0,0,0|1,0,1]=4 3715 B7R0.5 CCCC(C)C(C)O MCULE-3222709632 [0,2,0,0,0,0|0,0,2]=4 3716 B7R0.5 CCCC(Cl)C(=O)O MCULE-1265367924 [0,2,0,0,0,0|1,0,0]=3 3717 B7R0.5 CCCC(F)C(=O)O MCULE-5551678948 [0,2,0,0,0,0|1,0,0]=3 3718 B7R0.5 CCCC(N)C(=O)N MCULE-5159221123 [0,2,0,0,0,0|1,0,0]=3 3719 B7R0.5 CCCC(N)C(=O)N MCULE-5742773956 [0,2,0,0,0,0|1,0,0]=3 3720 B7R0.5 CCCC(N)C(=O)O MCULE-1684743992 [0,2,0,0,0,0|1,0,0]=3 3721 B7R0.5 CCCC(N)C(=O)O MCULE-5263067403 [0,2,0,0,0,0|1,0,0]=3 3722 B7R0.5 CCCC(N)C(=O)O MCULE-7151907627 [0,2,0,0,0,0|1,0,0]=3 3723 B7R0.5 CCCC(O)C(=O)N MCULE-3143432132 [0,2,0,0,0,0|1,0,0]=3 3724 B7R0.5 CCCC(O)C(=O)O MCULE-8533446195 [0,2,0,0,0,0|1,0,0]=3 3725 B7R0.5 CCCC(O)C(=O)O MCULE-9586449213 [0,2,0,0,0,0|1,0,0]=3 3726 B7R0.5 CCCN(C)C(=O)Cl MCULE-2930764127 [0,2,0,0,0,0|1,0,0]=3 3727 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-1302378905 [0,2,0,0,0,0|1,0,0]=3 3728 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-5246507817 [0,2,0,0,0,0|1,0,0]=3 3729 B7R0.5 CCC[C@@H](O)C(=O)O MCULE-2742119346 [0,2,0,0,0,0|1,0,0]=3 3730 B7R0.5 CCC[C@H](Br)C(=O)O MCULE-3070253588 [0,2,0,0,0,0|1,0,0]=3 3731 B7R0.5 CCC[C@H](N)C(=O)N MCULE-2163059771 [0,2,0,0,0,0|1,0,0]=3 3732 B7R0.5 CCC[C@H](N)C(=O)N MCULE-4687172013 [0,2,0,0,0,0|1,0,0]=3 3733 B7R0.5 CCC[C@H](N)C(=O)N MCULE-7482592029 [0,2,0,0,0,0|1,0,0]=3 3734 B7R0.5 CCC[C@H](N)C(=O)N MCULE-9639796243 [0,2,0,0,0,0|1,0,0]=3 3735 B7R0.5 CCC[C@H](N)C(=O)O MCULE-2890516597 [0,2,0,0,0,0|1,0,0]=3 3736 B7R0.5 CCC[C@H](N)C(=O)O MCULE-4690406880 [0,2,0,0,0,0|1,0,0]=3 3737 B7R0.5 CCC[C@H](N)C(=O)O MCULE-9323049450 [0,2,0,0,0,0|1,0,0]=3 3738 B7R0.5 CCC[C@H](O)C(=O)O MCULE-6533548138 [0,2,0,0,0,0|1,0,0]=3 3739 B7R0.5 CCC[C@H](O)C(=O)O MCULE-8321722254 [0,2,0,0,0,0|1,0,0]=3 3740 B7R0.5 CCNC(=O)C(=O)O MCULE-1213485294 [0,2,0,0,0,0|1,0,1]=4 3741 B7R0.5 CCNC(C)C(=O)N MCULE-2861818493 [0,2,0,0,0,0|0,0,0]=2 3742 B7R0.5 CCNC(C)C(=O)N MCULE-6110291237 [0,2,0,0,0,0|0,0,0]=2 3743 B7R0.5 CCNC(C)C(=O)O MCULE-5445574810 [0,2,0,0,0,0|0,0,0]=2 3744 B7R0.5 CCNC(C)C(=O)O MCULE-5666785247 [0,2,0,0,0,0|0,0,0]=2 3745 B7R0.5 CCNC(C)C(C)C MCULE-4222747158 [0,2,0,0,0,0|1,0,1]=4 3746 B7R0.5 CCNC(C)C(C)C MCULE-4653009965 [0,2,0,0,0,0|1,0,1]=4 3747 B7R0.5 CCN[C@H](C)C(=O)O MCULE-9676358201 [0,2,0,0,0,0|0,0,0]=2 3748 B7R0.5 CCOC(=O)C(=O)C MCULE-5817261721 [0,2,0,0,0,0|1,0,1]=4 3749 B7R0.5 CCOC(=O)C(=O)Cl MCULE-6454421959 [0,2,0,0,0,0|1,0,1]=4 3750 B7R0.5 CCOC(=O)C(=O)N MCULE-2968497645 [0,2,0,0,0,0|1,0,1]=4 3751 B7R0.5 CCOC(=O)C(=O)O MCULE-2368024441 [0,2,0,0,0,0|1,0,1]=4 3752 B7R0.5 CCOC(=O)C(=O)[O-] MCULE-1807862684 [0,2,0,0,0,0|1,0,1]=4 3753 B7R0.5 CCOC(=S)C(=O)N MCULE-4600711043 [0,2,0,0,0,0|1,0,1]=4 3754 B7R0.5 CCOC(C)C(=O)O MCULE-2185795311 [0,2,0,0,0,0|0,0,0]=2 3755 B7R0.5 CCOC(C)C(=S)N MCULE-2027801148 [0,2,0,0,0,0|0,1,0]=3 3756 B7R0.5 CCSC(C)C(=O)O MCULE-9817243573 [0,2,0,0,0,0|0,0,0]=2 3757 B7R0.5 CN(CC#N)C(=O)Cl MCULE-2638241948 [0,2,0,0,0,0|1,0,1]=4 3758 B7R0.5 CNCC(C)C(=O)O MCULE-4255373615 [0,2,0,0,0,0|0,0,0]=2 3759 B7R0.5 CNCC(C)C(=O)O MCULE-8076489545 [0,2,0,0,0,0|0,0,0]=2 3760 B7R0.5 CNCC(N)C(=O)O MCULE-4360775406 [0,2,0,0,0,0|1,0,0]=3 3761 B7R0.5 CNCC(N)C(=O)O MCULE-4913403405 [0,2,0,0,0,0|1,0,0]=3 3762 B7R0.5 CNC[C@H](N)C(=O)O MCULE-3465445123 [0,2,0,0,0,0|1,0,0]=3 3763 B7R0.5 CNC[C@H](N)C(=O)O MCULE-7309489523 [0,2,0,0,0,0|1,0,0]=3 3764 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8418254346 [0,2,0,0,0,0|1,0,0]=3 3765 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8752314299 [0,2,0,0,0,0|1,0,0]=3 3766 B7R0.5 COCC(Br)C(=O)O MCULE-2977381282 [0,2,0,0,0,0|1,0,0]=3 3767 B7R0.5 COCC(C)C(=O)C MCULE-5328927786 [0,2,0,0,0,0|0,0,0]=2 3768 B7R0.5 COCC(C)C(=O)O MCULE-9776415948 [0,2,0,0,0,0|0,0,0]=2 3769 B7R0.5 COCC(C)C(=S)N MCULE-6392999047 [0,2,0,0,0,0|0,1,0]=3 3770 B7R0.5 COCC(C)C(C)N MCULE-6465669754 [0,2,0,0,0,0|0,0,2]=4 3771 B7R0.5 COCC(Cl)C(=O)O MCULE-1439107016 [0,2,0,0,0,0|1,0,0]=3 3772 B7R0.5 COCC(N)C(=O)N MCULE-2465830538 [0,2,0,0,0,0|1,0,0]=3 3773 B7R0.5 COCC(N)C(=O)N MCULE-6194410780 [0,2,0,0,0,0|1,0,0]=3 3774 B7R0.5 COCC(N)C(=O)O MCULE-4336440568 [0,2,0,0,0,0|1,0,0]=3 3775 B7R0.5 COCC(N)C(=O)O MCULE-4899043582 [0,2,0,0,0,0|1,0,0]=3 3776 B7R0.5 COCC(N)C(=O)O MCULE-6964823693 [0,2,0,0,0,0|1,0,0]=3 3777 B7R0.5 COCC(N)C(=O)O MCULE-7037870255 [0,2,0,0,0,0|1,0,0]=3 3778 B7R0.5 COCC(O)C(=O)O MCULE-3185498869 [0,2,0,0,0,0|1,0,0]=3 3779 B7R0.5 COC[C@@H](N)C(=O)O MCULE-1827086666 [0,2,0,0,0,0|1,0,0]=3 3780 B7R0.5 COC[C@@H](N)C(=O)O MCULE-4868456769 [0,2,0,0,0,0|1,0,0]=3 3781 B7R0.5 COC[C@@H](N)C(=O)O MCULE-5275247485 [0,2,0,0,0,0|1,0,0]=3 3782 B7R0.5 COC[C@@H](N)C(=O)O MCULE-7339751251 [0,2,0,0,0,0|1,0,0]=3 3783 B7R0.5 COC[C@H](N)C(=O)O MCULE-3719679803 [0,2,0,0,0,0|1,0,0]=3 3784 B7R0.5 COC[C@H](N)C(=O)O MCULE-4874807874 [0,2,0,0,0,0|1,0,0]=3 3785 B7R0.5 COC[C@H](N)C(=O)O MCULE-5303156917 [0,2,0,0,0,0|1,0,0]=3 3786 B7R0.5 COC[C@H](N)C(=O)O MCULE-8138564560 [0,2,0,0,0,0|1,0,0]=3 3787 B7R0.5 CON=C(C)C(=O)O MCULE-8599774085 [0,2,0,0,0,0|1,0,1]=4 3788 B7R0.5 CSCC(C)C(=O)O MCULE-7112130175 [0,2,0,0,0,0|0,0,0]=2 3789 B7R0.5 CSCC(N)C(=O)O MCULE-7668628251 [0,2,0,0,0,0|1,0,0]=3 3790 B7R0.5 CSC[C@H](N)C(=O)O MCULE-1178337776 [0,2,0,0,0,0|1,0,0]=3 3791 B7R0.5 CSC[C@H](N)C(=O)O MCULE-2769761337 [0,2,0,0,0,0|1,0,0]=3 3792 B7R0.5 C[C@@H](CCS)C(=O)O MCULE-2918304262 [0,2,0,0,0,0|0,0,0]=2 3793 B7R0.5 C[C@@H](N=[N+]=[N-])C(=O)O MCULE-2214426945 [0,2,0,0,0,0|2,0,0]=4 3794 B7R0.5 C[C@@H](N=[N+]=[N-])C(=O)O MCULE-6124505236 [0,2,0,0,0,0|2,0,0]=4 3795 B7R0.5 C[C@H](N=[N+]=[N-])C(=O)O MCULE-3591368470 [0,2,0,0,0,0|2,0,0]=4 3796 B7R0.5 C[C@H](N=[N+]=[N-])C(=O)O MCULE-5109353470 [0,2,0,0,0,0|2,0,0]=4 3797 B7R0.5 C[C@H](N=[N+]=[N-])C(=O)O MCULE-6277841083 [0,2,0,0,0,0|2,0,0]=4 3798 B7R0.5 C[C@H](N=[N+]=[N-])C(=O)O MCULE-7843278634 [0,2,0,0,0,0|2,0,0]=4 3799 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-3824082361 [0,2,0,0,0,0|1,0,1]=4 3800 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-5248110352 [0,2,0,0,0,0|1,0,1]=4 3801 B7R0.5 C[Se]CC(N)C(=O)O MCULE-3357465269 [0,2,0,0,0,0|1,0,0]=3 3802 B7R0.5 C[Se]CC(N)C(=O)O MCULE-7671606756 [0,2,0,0,0,0|1,0,0]=3 3803 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-5208306365 [0,2,0,0,0,0|1,0,0]=3 3804 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6734478742 [0,2,0,0,0,0|1,0,0]=3 3805 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6760615750 [0,2,0,0,0,0|1,0,0]=3 3806 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-7512025617 [0,2,0,0,0,0|1,0,0]=3 3807 B7R0.5 N#CCC(N)C(=O)O MCULE-4929926467 [0,2,0,0,0,0|1,0,1]=4 3808 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6294926701 [0,2,0,0,0,0|1,0,1]=4 3809 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6432920316 [0,2,0,0,0,0|1,0,1]=4 3810 B7R0.5 NC(=O)C(Br)CCBr MCULE-5008510444 [0,2,0,0,0,0|1,0,0]=3 3811 B7R0.5 NC(CCBr)C(=O)O MCULE-1900559475 [0,2,0,0,0,0|1,0,0]=3 3812 B7R0.5 NC(CCBr)C(=O)O MCULE-7293320576 [0,2,0,0,0,0|1,0,0]=3 3813 B7R0.5 NC(CCF)C(=O)O MCULE-5519595590 [0,2,0,0,0,0|1,0,0]=3 3814 B7R0.5 NC(CCF)C(=O)O MCULE-7293194855 [0,2,0,0,0,0|1,0,0]=3 3815 B7R0.5 NC(CCO)C(=O)O MCULE-1744838687 [0,2,0,0,0,0|1,0,0]=3 3816 B7R0.5 NC(CCO)C(=O)O MCULE-9642233758 [0,2,0,0,0,0|1,0,0]=3 3817 B7R0.5 NC(CCS)C(=O)O MCULE-8057550187 [0,2,0,0,0,0|1,0,0]=3 3818 B7R0.5 NC(CCS)C(=O)O MCULE-8117596001 [0,2,0,0,0,0|1,0,0]=3 3819 B7R0.5 NC(CNO)C(=O)O MCULE-2332662988 [0,2,0,0,0,0|2,0,0]=4 3820 B7R0.5 NCCC(F)C(=O)O MCULE-5068755002 [0,2,0,0,0,0|1,0,0]=3 3821 B7R0.5 NCCC(F)C(=O)O MCULE-9196695600 [0,2,0,0,0,0|1,0,0]=3 3822 B7R0.5 NCCC(N)C(=O)O MCULE-1239764966 [0,2,0,0,0,0|1,0,0]=3 3823 B7R0.5 NCCC(N)C(=O)O MCULE-2441123923 [0,2,0,0,0,0|1,0,0]=3 3824 B7R0.5 NCCC(N)C(=O)O MCULE-3966593369 [0,2,0,0,0,0|1,0,0]=3 3825 B7R0.5 NCCC(N)C(=O)O MCULE-4212078130 [0,2,0,0,0,0|1,0,0]=3 3826 B7R0.5 NCCC(N)C(=O)O MCULE-7713366571 [0,2,0,0,0,0|1,0,0]=3 3827 B7R0.5 NCCC(N)C(=O)O MCULE-8402131049 [0,2,0,0,0,0|1,0,0]=3 3828 B7R0.5 NCCC(N)C(=O)O MCULE-9198187552 [0,2,0,0,0,0|1,0,0]=3 3829 B7R0.5 NCCC(O)C(=O)O MCULE-3670080484 [0,2,0,0,0,0|1,0,0]=3 3830 B7R0.5 NCCC(O)C(=O)O MCULE-6540935279 [0,2,0,0,0,0|1,0,0]=3 3831 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-4000770618 [0,2,0,0,0,0|1,0,0]=3 3832 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-5775312784 [0,2,0,0,0,0|1,0,0]=3 3833 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-6259961704 [0,2,0,0,0,0|1,0,0]=3 3834 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-9871958374 [0,2,0,0,0,0|1,0,0]=3 3835 B7R0.5 NCC[C@@H](O)C(=O)O MCULE-9726912888 [0,2,0,0,0,0|1,0,0]=3 3836 B7R0.5 NCC[C@H](N)C(=O)O MCULE-1745978456 [0,2,0,0,0,0|1,0,0]=3 3837 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3856066353 [0,2,0,0,0,0|1,0,0]=3 3838 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3919721317 [0,2,0,0,0,0|1,0,0]=3 3839 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5434373726 [0,2,0,0,0,0|1,0,0]=3 3840 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5992578597 [0,2,0,0,0,0|1,0,0]=3 3841 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6536533546 [0,2,0,0,0,0|1,0,0]=3 3842 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6978035806 [0,2,0,0,0,0|1,0,0]=3 3843 B7R0.5 NCC[C@H](N)C(=O)O MCULE-8762011291 [0,2,0,0,0,0|1,0,0]=3 3844 B7R0.5 NCC[C@H](N)C(=O)O MCULE-9645608127 [0,2,0,0,0,0|1,0,0]=3 3845 B7R0.5 NCC[C@H](O)C(=O)O MCULE-3296998083 [0,2,0,0,0,0|1,0,0]=3 3846 B7R0.5 NCC[C@H](O)C(=O)O MCULE-7901866019 [0,2,0,0,0,0|1,0,0]=3 3847 B7R0.5 NOC[C@H](N)C(=O)O MCULE-1050292176 [0,2,0,0,0,0|2,0,0]=4 3848 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2388269464 [0,2,0,0,0,0|1,0,0]=3 3849 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2456796412 [0,2,0,0,0,0|1,0,0]=3 3850 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-6229782603 [0,2,0,0,0,0|1,0,0]=3 3851 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-8123446168 [0,2,0,0,0,0|1,0,0]=3 3852 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-2370353784 [0,2,0,0,0,0|1,0,0]=3 3853 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-4861747928 [0,2,0,0,0,0|1,0,0]=3 3854 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-4021115723 [0,2,0,0,0,0|1,0,0]=3 3855 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-7661321953 [0,2,0,0,0,0|1,0,0]=3 3856 B7R0.5 N[C@@H](CSS)C(=O)O MCULE-3029500977 [0,2,0,0,0,0|2,0,0]=4 3857 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-1975650690 [0,2,0,0,0,0|1,0,0]=3 3858 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-7245104465 [0,2,0,0,0,0|1,0,0]=3 3859 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8005652100 [0,2,0,0,0,0|1,0,0]=3 3860 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8613625039 [0,2,0,0,0,0|1,0,0]=3 3861 B7R0.5 N[C@H](CCS)C(=O)O MCULE-1110046008 [0,2,0,0,0,0|1,0,0]=3 3862 B7R0.5 N[C@H](CCS)C(=O)O MCULE-7556963357 [0,2,0,0,0,0|1,0,0]=3 3863 B7R0.5 O=C(Br)C(Br)CCBr MCULE-1496301616 [0,2,0,0,0,0|1,0,0]=3 3864 B7R0.5 O=C(Cl)C(Br)CCBr MCULE-9787639147 [0,2,0,0,0,0|1,0,0]=3 3865 B7R0.5 O=C(Cl)C(Br)CCCl MCULE-6400872582 [0,2,0,0,0,0|1,0,0]=3 3866 B7R0.5 O=C(O)C(Br)CCBr MCULE-3091819269 [0,2,0,0,0,0|1,0,0]=3 3867 B7R0.5 O=C(O)C(O)CCO MCULE-9096271794 [0,2,0,0,0,0|1,0,0]=3 3868 B7R0.5 [C@H](N)(CC#C)C(=O)O MCULE-7308061694 [0,2,0,0,0,0|1,0,1]=4 3869 B7R0.7 C=CCC(N)COC MCULE-6306522587 [0,2,0,0,0,0|2,0,0]=4 3870 B7R0.7 C=CCC(O)CCC MCULE-4006607391 [0,2,0,0,0,0|2,0,0]=4 3871 B7R0.7 C=CCN(C)CCO MCULE-5364416545 [0,2,0,0,0,0|2,0,0]=4 3872 B7R0.7 CC(CCBr)CCBr MCULE-4358998001 [0,2,0,0,0,0|1,0,1]=4 3873 B7R0.7 CC(CCN)CCO MCULE-7864092529 [0,2,0,0,0,0|0,0,2]=4 3874 B7R0.7 CC(CCO)CCO MCULE-5426211201 [0,2,0,0,0,0|0,0,2]=4 3875 B7R0.7 CC=CC(O)CCC MCULE-2375824505 [0,2,0,0,0,0|2,0,0]=4 3876 B7R0.7 CCCC(C)CCC MCULE-5291190768 [0,2,0,0,0,0|1,0,1]=4 3877 B7R0.7 CCCC(C)CCO MCULE-6887128167 [0,2,0,0,0,0|0,0,2]=4 3878 B7R0.7 CCCC(C)N=C=O MCULE-9843542105 [0,2,0,0,0,0|0,0,1]=3 3879 B7R0.7 CCCC(C)N=C=S MCULE-8776201078 [0,2,0,0,0,0|0,1,1]=4 3880 B7R0.7 CCCC(C)NCC MCULE-3443551812 [0,2,0,0,0,0|1,0,1]=4 3881 B7R0.7 CCCC(C)NCC MCULE-7227087576 [0,2,0,0,0,0|1,0,1]=4 3882 B7R0.7 CCCC(C)OCC MCULE-2678814077 [0,2,0,0,0,0|1,0,1]=4 3883 B7R0.7 CCCC(C)SC#N MCULE-3982266922 [0,2,0,0,0,0|1,0,1]=4 3884 B7R0.7 CCNC(C)CCO MCULE-5904294074 [0,2,0,0,0,0|0,0,2]=4 3885 B7R0.7 CCNC(C)COC MCULE-3519332383 [0,2,0,0,0,0|0,0,2]=4 3886 B7R0.7 CCNC(C)COC MCULE-9226487666 [0,2,0,0,0,0|0,0,2]=4 3887 B7R0.7 CCOC(=O)CC=O MCULE-5042552247 [0,2,0,0,0,0|1,0,1]=4 3888 B7R0.7 CCOC(=O)[CH-]C=O MCULE-1944484299 [0,2,0,0,0,0|1,0,1]=4 3889 B7R0.7 CCOC(=O)[CH-]C=O MCULE-5022028224 [0,2,0,0,0,0|1,0,1]=4 3890 B7R0.7 CCOC(C)CNC MCULE-9630095723 [0,2,0,0,0,0|1,0,1]=4 3891 B7R0.7 CCOC(C)OCC MCULE-7152410134 [0,2,0,0,0,0|1,0,1]=4 3892 B7R0.7 CCSC(C)CC=O MCULE-8200772170 [0,2,0,0,0,0|0,0,0]=2 3893 B7R0.7 COCC(=CCBr)C MCULE-6258296852 [0,2,0,0,0,0|1,0,1]=4 3894 B7R0.7 COCC(C)CC#N MCULE-8156908577 [0,2,0,0,0,0|1,0,1]=4 3895 B7R0.7 COCC(C)CCO MCULE-6812981556 [0,2,0,0,0,0|0,0,2]=4 3896 B7R0.7 COCC(C)N=C=O MCULE-5875044784 [0,2,0,0,0,0|0,0,1]=3 3897 B7R0.7 COCC(C)N=C=S MCULE-1397440898 [0,2,0,0,0,0|0,1,1]=4 3898 B7R0.10 C#CC(N)C(C)CC MCULE-4599913336 [0,2,0,0,0,0|1,0,1]=4 3899 B7R0.10 C#CC(N)C(C)CC MCULE-6841022785 [0,2,0,0,0,0|1,0,1]=4 3900 B7R0.10 C/C=C(/C)\C(=O)OC MCULE-6490619453 [0,2,0,0,0,0|0,0,2]=4 3901 B7R0.10 C/C=C(\C)/C(=O)OC MCULE-2521624465 [0,2,0,0,0,0|0,0,2]=4 3902 B7R0.10 C=C(CC)C(=O)OC MCULE-2064145693 [0,2,0,0,0,0|0,0,2]=4 3903 B7R0.10 C=CC(=O)N(C)CC MCULE-8629361048 [0,2,0,0,0,0|1,0,0]=3 3904 B7R0.10 C=CC(=O)N(C)OC MCULE-8945434721 [0,2,0,0,0,0|2,0,0]=4 3905 B7R0.10 C=CC(C)C(C)CC MCULE-2366850706 [0,2,0,0,0,0|1,0,0]=3 3906 B7R0.10 CC(CCl)C(=N)NO MCULE-4023987029 [0,2,0,0,0,0|1,0,1]=4 3907 B7R0.10 CC(CCl)C(C)CCl MCULE-1834137730 [0,2,0,0,0,0|1,0,1]=4 3908 B7R0.10 CC(CN)C(N)CO MCULE-1520376315 [0,2,0,0,0,0|1,0,1]=4 3909 B7R0.10 CC(CN)[C@H](N)CO MCULE-9250442888 [0,2,0,0,0,0|1,0,1]=4 3910 B7R0.10 CC=C(C)C(=O)OC MCULE-7431996149 [0,2,0,0,0,0|0,0,2]=4 3911 B7R0.10 CCC(=O)C(=O)CC MCULE-4346857339 [0,2,0,0,0,0|1,0,1]=4 3912 B7R0.10 CCC(=O)C(=O)OC MCULE-6526576267 [0,2,0,0,0,0|1,0,1]=4 3913 B7R0.10 CCC(=O)C(C)C#N MCULE-5937845036 [0,2,0,0,0,0|1,0,1]=4 3914 B7R0.10 CCC(=O)C(O)CC MCULE-7549931190 [0,2,0,0,0,0|1,0,0]=3 3915 B7R0.10 CCC(=O)N(C)CC MCULE-1764457516 [0,2,0,0,0,0|1,0,0]=3 3916 B7R0.10 CCC(=O)N(C)OC MCULE-7450696534 [0,2,0,0,0,0|2,0,0]=4 3917 B7R0.10 CCC(Br)C(=O)NC MCULE-5335067622 [0,2,0,0,0,0|1,0,0]=3 3918 B7R0.10 CCC(Br)C(=O)OC MCULE-2335527491 [0,2,0,0,0,0|1,0,0]=3 3919 B7R0.10 CCC(C)/C(=N/O)/N MCULE-3220820796 [0,2,0,0,0,0|0,0,1]=3 3920 B7R0.10 CCC(C)/C(=N/O)/N MCULE-6860766298 [0,2,0,0,0,0|0,0,1]=3 3921 B7R0.10 CCC(C)C(=O)CBr MCULE-7022126762 [0,2,0,0,0,0|0,0,0]=2 3922 B7R0.10 CCC(C)C(=O)CCl MCULE-6800466655 [0,2,0,0,0,0|0,0,0]=2 3923 B7R0.10 CCC(C)C(=O)NC MCULE-5599095900 [0,2,0,0,0,0|0,0,0]=2 3924 B7R0.10 CCC(C)C(=O)NN MCULE-4144584435 [0,2,0,0,0,0|0,0,0]=2 3925 B7R0.10 CCC(C)C(=O)OC MCULE-9845747952 [0,2,0,0,0,0|0,0,0]=2 3926 B7R0.10 CCC(C)C(C)CC MCULE-8164178184 [0,2,0,0,0,0|1,0,1]=4 3927 B7R0.10 CCC(C)C(N)C#N MCULE-4516295423 [0,2,0,0,0,0|1,0,1]=4 3928 B7R0.10 CCC(C)C(N)C#N MCULE-9668149479 [0,2,0,0,0,0|1,0,1]=4 3929 B7R0.10 CCC(C)C(N)CO MCULE-3990781918 [0,2,0,0,0,0|0,0,2]=4 3930 B7R0.10 CCC(C)C(N)CO MCULE-9261445768 [0,2,0,0,0,0|0,0,2]=4 3931 B7R0.10 CCC(C)C(O)CC MCULE-3936368693 [0,2,0,0,0,0|0,0,2]=4 3932 B7R0.10 CCC(C)C(O)CN MCULE-1941564207 [0,2,0,0,0,0|0,0,2]=4 3933 B7R0.10 CCC(C)C(O)CO MCULE-9999862073 [0,2,0,0,0,0|0,0,2]=4 3934 B7R0.10 CCC(C)[C@H](N)C#N MCULE-7403677699 [0,2,0,0,0,0|1,0,1]=4 3935 B7R0.10 CCC(C)[C@H](N)C#N MCULE-7724941860 [0,2,0,0,0,0|1,0,1]=4 3936 B7R0.10 CCC(C)[C@H](N)C#N MCULE-8975526389 [0,2,0,0,0,0|1,0,1]=4 3937 B7R0.10 CCC(C)[C@H](N)C#N MCULE-9352431409 [0,2,0,0,0,0|1,0,1]=4 3938 B7R0.10 CCC(Cl)C(=O)OC MCULE-4773486285 [0,2,0,0,0,0|1,0,0]=3 3939 B7R0.10 CCC(N)C(=O)NC MCULE-7274856339 [0,2,0,0,0,0|1,0,0]=3 3940 B7R0.10 CCC(N)C(=O)NC MCULE-9912780545 [0,2,0,0,0,0|1,0,0]=3 3941 B7R0.10 CCC(N)C(=O)NO MCULE-9162328479 [0,2,0,0,0,0|1,0,0]=3 3942 B7R0.10 CCC(N)C(=O)OC MCULE-1569242271 [0,2,0,0,0,0|1,0,0]=3 3943 B7R0.10 CCC(N)C(=O)OC MCULE-3183954116 [0,2,0,0,0,0|1,0,0]=3 3944 B7R0.10 CCC(N)C(=O)OC MCULE-4045754117 [0,2,0,0,0,0|1,0,0]=3 3945 B7R0.10 CCC(N)C(=O)OC MCULE-5328984047 [0,2,0,0,0,0|1,0,0]=3 3946 B7R0.10 CCC(O)C(=O)OC MCULE-8768500574 [0,2,0,0,0,0|1,0,0]=3 3947 B7R0.10 CCC(O)C(C)CO MCULE-3930931405 [0,2,0,0,0,0|0,0,2]=4 3948 B7R0.10 CCC(O)C(C)CO MCULE-4472852672 [0,2,0,0,0,0|0,0,2]=4 3949 B7R0.10 CCC(S)C(C)CO MCULE-1500370684 [0,2,0,0,0,0|0,0,2]=4 3950 B7R0.10 CCN(C)C(=O)CBr MCULE-4444194334 [0,2,0,0,0,0|1,0,0]=3 3951 B7R0.10 CCN(C)C(=O)CCl MCULE-7762522604 [0,2,0,0,0,0|1,0,0]=3 3952 B7R0.10 CCN(C)C(C)CO MCULE-3647031998 [0,2,0,0,0,0|0,0,2]=4 3953 B7R0.10 CC[C@@H](Br)C(=O)OC MCULE-2676798410 [0,2,0,0,0,0|1,0,0]=3 3954 B7R0.10 CC[C@@H](C)[C@@H](N)CO MCULE-2122638055 [0,2,0,0,0,0|0,0,2]=4 3955 B7R0.10 CC[C@@H](C)[C@@H](N)CO MCULE-7964651759 [0,2,0,0,0,0|0,0,2]=4 3956 B7R0.10 CC[C@@H](C)[C@@H](N)CO MCULE-8482653298 [0,2,0,0,0,0|0,0,2]=4 3957 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-6794991435 [0,2,0,0,0,0|1,0,0]=3 3958 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-6825672331 [0,2,0,0,0,0|1,0,0]=3 3959 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-7307663817 [0,2,0,0,0,0|1,0,0]=3 3960 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-8717527808 [0,2,0,0,0,0|1,0,0]=3 3961 B7R0.10 CC[C@@H](O)C(=O)OC MCULE-6916010003 [0,2,0,0,0,0|1,0,0]=3 3962 B7R0.10 CC[C@@H](O)C(=O)OC MCULE-9376722018 [0,2,0,0,0,0|1,0,0]=3 3963 B7R0.10 CC[C@H](Br)C(=O)OC MCULE-5490793206 [0,2,0,0,0,0|1,0,0]=3 3964 B7R0.10 CC[C@H](C)[C@H](N)CF MCULE-3409941550 [0,2,0,0,0,0|1,0,1]=4 3965 B7R0.10 CC[C@H](C)[C@H](N)CF MCULE-9750756690 [0,2,0,0,0,0|1,0,1]=4 3966 B7R0.10 CC[C@H](C)[C@H](N)CO MCULE-3647332227 [0,2,0,0,0,0|0,0,2]=4 3967 B7R0.10 CC[C@H](C)[C@H](N)CO MCULE-5774547825 [0,2,0,0,0,0|0,0,2]=4 3968 B7R0.10 CC[C@H](C)[C@H](N)CO MCULE-8401203397 [0,2,0,0,0,0|0,0,2]=4 3969 B7R0.10 CC[C@H](C)[C@H](N)CO MCULE-8452836661 [0,2,0,0,0,0|0,0,2]=4 3970 B7R0.10 CC[C@H](C)[C@H](N)CO MCULE-9307589673 [0,2,0,0,0,0|0,0,2]=4 3971 B7R0.10 CC[C@H](N)C(=O)OC MCULE-2336816190 [0,2,0,0,0,0|1,0,0]=3 3972 B7R0.10 CC[C@H](N)C(=O)OC MCULE-3480066740 [0,2,0,0,0,0|1,0,0]=3 3973 B7R0.10 CC[C@H](N)C(=O)OC MCULE-4883083558 [0,2,0,0,0,0|1,0,0]=3 3974 B7R0.10 CC[C@H](N)C(=O)OC MCULE-6241184216 [0,2,0,0,0,0|1,0,0]=3 3975 B7R0.10 CC[C@H](O)C(=O)OC MCULE-5873092635 [0,2,0,0,0,0|1,0,0]=3 3976 B7R0.10 CC[C@H](O)C(=O)OC MCULE-8209874812 [0,2,0,0,0,0|1,0,0]=3 3977 B7R0.10 CNC(=O)C(C)CN MCULE-6853199259 [0,2,0,0,0,0|1,0,0]=3 3978 B7R0.10 CNC(=O)C(C)CN MCULE-9315732080 [0,2,0,0,0,0|1,0,0]=3 3979 B7R0.10 CNC(=O)C(C)NC MCULE-5788965533 [0,2,0,0,0,0|1,0,0]=3 3980 B7R0.10 CNC(=O)C(N)CO MCULE-1507161216 [0,2,0,0,0,0|2,0,0]=4 3981 B7R0.10 CNC(=O)C(O)CN MCULE-4650373222 [0,2,0,0,0,0|2,0,0]=4 3982 B7R0.10 CNC(=O)C(O)CN MCULE-8978952332 [0,2,0,0,0,0|2,0,0]=4 3983 B7R0.10 CNC(=O)[C@H](C)NC MCULE-4236618966 [0,2,0,0,0,0|1,0,0]=3 3984 B7R0.10 CNC(=O)[C@H](C)NC MCULE-9974564724 [0,2,0,0,0,0|1,0,0]=3 3985 B7R0.10 CNC(C)C(=O)OC MCULE-1524259113 [0,2,0,0,0,0|1,0,0]=3 3986 B7R0.10 CNC(C)C(=O)OC MCULE-2414146201 [0,2,0,0,0,0|1,0,0]=3 3987 B7R0.10 CNC(C)C(=O)OC MCULE-3192973771 [0,2,0,0,0,0|1,0,0]=3 3988 B7R0.10 CNC(C)C(=O)OC MCULE-9929257431 [0,2,0,0,0,0|1,0,0]=3 3989 B7R0.10 CN[C@@H](C)C(=O)OC MCULE-1271745038 [0,2,0,0,0,0|1,0,0]=3 3990 B7R0.10 CN[C@@H](C)C(=O)OC MCULE-3018199319 [0,2,0,0,0,0|1,0,0]=3 3991 B7R0.10 CN[C@H](C)C(=O)OC MCULE-3420184809 [0,2,0,0,0,0|1,0,0]=3 3992 B7R0.10 CN[C@H](C)C(=O)OC MCULE-3818454089 [0,2,0,0,0,0|1,0,0]=3 3993 B7R0.10 CN[C@H](C)C(=O)OC MCULE-8297775033 [0,2,0,0,0,0|1,0,0]=3 3994 B7R0.10 CN[C@H](C)C(=O)OC MCULE-9637759835 [0,2,0,0,0,0|1,0,0]=3 3995 B7R0.10 COC(=O)C(Br)CBr MCULE-7056048789 [0,2,0,0,0,0|2,0,0]=4 3996 B7R0.10 COC(=O)C(Br)CF MCULE-4013908914 [0,2,0,0,0,0|2,0,0]=4 3997 B7R0.10 COC(=O)C(Br)CO MCULE-1678765423 [0,2,0,0,0,0|2,0,0]=4 3998 B7R0.10 COC(=O)C(Br)CO MCULE-8437488397 [0,2,0,0,0,0|2,0,0]=4 3999 B7R0.10 COC(=O)C(Br)OC MCULE-5672396067 [0,2,0,0,0,0|2,0,0]=4 4000 B7R0.10 COC(=O)C(C)C#N MCULE-3764857061 [0,2,0,0,0,0|1,0,1]=4 4001 B7R0.10 COC(=O)C(C)C=O MCULE-8461987901 [0,2,0,0,0,0|0,0,1]=3 4002 B7R0.10 COC(=O)C(C)CBr MCULE-5887558960 [0,2,0,0,0,0|1,0,0]=3 4003 B7R0.10 COC(=O)C(C)CBr MCULE-9291707503 [0,2,0,0,0,0|1,0,0]=3 4004 B7R0.10 COC(=O)C(C)CN MCULE-8139628698 [0,2,0,0,0,0|1,0,0]=3 4005 B7R0.10 COC(=O)C(C)CN MCULE-8839292519 [0,2,0,0,0,0|1,0,0]=3 4006 B7R0.10 COC(=O)C(C)CO MCULE-1168600238 [0,2,0,0,0,0|1,0,0]=3 4007 B7R0.10 COC(=O)C(C)CO MCULE-9207150786 [0,2,0,0,0,0|1,0,0]=3 4008 B7R0.10 COC(=O)C(C)CS MCULE-2870797526 [0,2,0,0,0,0|1,0,0]=3 4009 B7R0.10 COC(=O)C(C)OC MCULE-3274761391 [0,2,0,0,0,0|1,0,0]=3 4010 B7R0.10 COC(=O)C(C)ON MCULE-1829014190 [0,2,0,0,0,0|2,0,0]=4 4011 B7R0.10 COC(=O)C(C)ON MCULE-4104938309 [0,2,0,0,0,0|2,0,0]=4 4012 B7R0.10 COC(=O)C(C)SC MCULE-6914204626 [0,2,0,0,0,0|1,0,0]=3 4013 B7R0.10 COC(=O)C(Cl)C=O MCULE-1767241035 [0,2,0,0,0,0|1,0,1]=4 4014 B7R0.10 COC(=O)C(Cl)CCl MCULE-3086208783 [0,2,0,0,0,0|2,0,0]=4 4015 B7R0.10 COC(=O)C(Cl)CO MCULE-9496750776 [0,2,0,0,0,0|2,0,0]=4 4016 B7R0.10 COC(=O)C(Cl)OC MCULE-8296320773 [0,2,0,0,0,0|2,0,0]=4 4017 B7R0.10 COC(=O)C(F)CN MCULE-3089053107 [0,2,0,0,0,0|2,0,0]=4 4018 B7R0.10 COC(=O)C(F)CN MCULE-5618581260 [0,2,0,0,0,0|2,0,0]=4 4019 B7R0.10 COC(=O)C(F)CO MCULE-2188518229 [0,2,0,0,0,0|2,0,0]=4 4020 B7R0.10 COC(=O)C(N)CCl MCULE-2253564316 [0,2,0,0,0,0|2,0,0]=4 4021 B7R0.10 COC(=O)C(N)CCl MCULE-3851909822 [0,2,0,0,0,0|2,0,0]=4 4022 B7R0.10 COC(=O)C(N)CCl MCULE-4649966066 [0,2,0,0,0,0|2,0,0]=4 4023 B7R0.10 COC(=O)C(N)CCl MCULE-9193407415 [0,2,0,0,0,0|2,0,0]=4 4024 B7R0.10 COC(=O)C(N)CF MCULE-2617218019 [0,2,0,0,0,0|2,0,0]=4 4025 B7R0.10 COC(=O)C(N)CF MCULE-3926207531 [0,2,0,0,0,0|2,0,0]=4 4026 B7R0.10 COC(=O)C(N)CN MCULE-7949926265 [0,2,0,0,0,0|2,0,0]=4 4027 B7R0.10 COC(=O)C(N)CN MCULE-9215212479 [0,2,0,0,0,0|2,0,0]=4 4028 B7R0.10 COC(=O)C(N)CO MCULE-1874204534 [0,2,0,0,0,0|2,0,0]=4 4029 B7R0.10 COC(=O)C(N)CO MCULE-1907797317 [0,2,0,0,0,0|2,0,0]=4 4030 B7R0.10 COC(=O)C(N)CO MCULE-3851022091 [0,2,0,0,0,0|2,0,0]=4 4031 B7R0.10 COC(=O)C(N)CO MCULE-9875856930 [0,2,0,0,0,0|2,0,0]=4 4032 B7R0.10 COC(=O)C(N)CS MCULE-5131519605 [0,2,0,0,0,0|2,0,0]=4 4033 B7R0.10 COC(=O)C(N)CS MCULE-5561205392 [0,2,0,0,0,0|2,0,0]=4 4034 B7R0.10 COC(=O)C(N)CS MCULE-9291008448 [0,2,0,0,0,0|2,0,0]=4 4035 B7R0.10 COC(=O)C(N)CS MCULE-9963292576 [0,2,0,0,0,0|2,0,0]=4 4036 B7R0.10 COC(=O)C(O)CCl MCULE-1480405341 [0,2,0,0,0,0|2,0,0]=4 4037 B7R0.10 COC(=O)C(O)CN MCULE-1003241246 [0,2,0,0,0,0|2,0,0]=4 4038 B7R0.10 COC(=O)C(O)CN MCULE-9006804473 [0,2,0,0,0,0|2,0,0]=4 4039 B7R0.10 COC(=O)C(O)CO MCULE-1234820163 [0,2,0,0,0,0|2,0,0]=4 4040 B7R0.10 COC(=O)C(O)CO MCULE-2142801284 [0,2,0,0,0,0|2,0,0]=4 4041 B7R0.10 COC(=O)C(O)OC MCULE-5465190164 [0,2,0,0,0,0|2,0,0]=4 4042 B7R0.10 COC(=O)N(C)CCl MCULE-8717315487 [0,2,0,0,0,0|2,0,0]=4 4043 B7R0.10 COC(=O)[C@@H](Br)CO MCULE-8075978888 [0,2,0,0,0,0|2,0,0]=4 4044 B7R0.10 COC(=O)[C@@H](Br)CO MCULE-8903256620 [0,2,0,0,0,0|2,0,0]=4 4045 B7R0.10 COC(=O)[C@@H](C)CBr MCULE-5530851181 [0,2,0,0,0,0|1,0,0]=3 4046 B7R0.10 COC(=O)[C@@H](C)CBr MCULE-8885621324 [0,2,0,0,0,0|1,0,0]=3 4047 B7R0.10 COC(=O)[C@@H](C)CN MCULE-7205157481 [0,2,0,0,0,0|1,0,0]=3 4048 B7R0.10 COC(=O)[C@@H](C)CN MCULE-9885299909 [0,2,0,0,0,0|1,0,0]=3 4049 B7R0.10 COC(=O)[C@@H](C)CO MCULE-6738074317 [0,2,0,0,0,0|1,0,0]=3 4050 B7R0.10 COC(=O)[C@@H](C)CO MCULE-9697255968 [0,2,0,0,0,0|1,0,0]=3 4051 B7R0.10 COC(=O)[C@@H](F)CN MCULE-2209395189 [0,2,0,0,0,0|2,0,0]=4 4052 B7R0.10 COC(=O)[C@@H](F)CN MCULE-2951378763 [0,2,0,0,0,0|2,0,0]=4 4053 B7R0.10 COC(=O)[C@@H](F)CN MCULE-4599856185 [0,2,0,0,0,0|2,0,0]=4 4054 B7R0.10 COC(=O)[C@@H](F)CN MCULE-5571914049 [0,2,0,0,0,0|2,0,0]=4 4055 B7R0.10 COC(=O)[C@@H](N)CCl MCULE-1649684135 [0,2,0,0,0,0|2,0,0]=4 4056 B7R0.10 COC(=O)[C@@H](N)CCl MCULE-4803192908 [0,2,0,0,0,0|2,0,0]=4 4057 B7R0.10 COC(=O)[C@@H](N)CCl MCULE-6514033613 [0,2,0,0,0,0|2,0,0]=4 4058 B7R0.10 COC(=O)[C@@H](N)CCl MCULE-7997387565 [0,2,0,0,0,0|2,0,0]=4 4059 B7R0.10 COC(=O)[C@@H](N)CN MCULE-4407014418 [0,2,0,0,0,0|2,0,0]=4 4060 B7R0.10 COC(=O)[C@@H](N)CN MCULE-4854066134 [0,2,0,0,0,0|2,0,0]=4 4061 B7R0.10 COC(=O)[C@@H](N)CN MCULE-5060962890 [0,2,0,0,0,0|2,0,0]=4 4062 B7R0.10 COC(=O)[C@@H](N)CN MCULE-8572432694 [0,2,0,0,0,0|2,0,0]=4 4063 B7R0.10 COC(=O)[C@@H](N)CO MCULE-2171593224 [0,2,0,0,0,0|2,0,0]=4 4064 B7R0.10 COC(=O)[C@@H](N)CO MCULE-3393088985 [0,2,0,0,0,0|2,0,0]=4 4065 B7R0.10 COC(=O)[C@@H](N)CO MCULE-5476910845 [0,2,0,0,0,0|2,0,0]=4 4066 B7R0.10 COC(=O)[C@@H](N)CO MCULE-9984439264 [0,2,0,0,0,0|2,0,0]=4 4067 B7R0.10 COC(=O)[C@@H](N)CS MCULE-2560943261 [0,2,0,0,0,0|2,0,0]=4 4068 B7R0.10 COC(=O)[C@@H](N)CS MCULE-3682774490 [0,2,0,0,0,0|2,0,0]=4 4069 B7R0.10 COC(=O)[C@@H](N)CS MCULE-6613123984 [0,2,0,0,0,0|2,0,0]=4 4070 B7R0.10 COC(=O)[C@@H](N)CS MCULE-7354291938 [0,2,0,0,0,0|2,0,0]=4 4071 B7R0.10 COC(=O)[C@@H](O)CN MCULE-1265508864 [0,2,0,0,0,0|2,0,0]=4 4072 B7R0.10 COC(=O)[C@@H](O)CN MCULE-2334791448 [0,2,0,0,0,0|2,0,0]=4 4073 B7R0.10 COC(=O)[C@@H](O)CN MCULE-6207278824 [0,2,0,0,0,0|2,0,0]=4 4074 B7R0.10 COC(=O)[C@@H](O)CN MCULE-6634004594 [0,2,0,0,0,0|2,0,0]=4 4075 B7R0.10 COC(=O)[C@@H](O)CO MCULE-3655137528 [0,2,0,0,0,0|2,0,0]=4 4076 B7R0.10 COC(=O)[C@@H](O)CO MCULE-5801355812 [0,2,0,0,0,0|2,0,0]=4 4077 B7R0.10 COC(=O)[C@H](Br)CO MCULE-8230787734 [0,2,0,0,0,0|2,0,0]=4 4078 B7R0.10 COC(=O)[C@H](C)C=O MCULE-9841785503 [0,2,0,0,0,0|0,0,1]=3 4079 B7R0.10 COC(=O)[C@H](C)CBr MCULE-3829202918 [0,2,0,0,0,0|1,0,0]=3 4080 B7R0.10 COC(=O)[C@H](C)CBr MCULE-4931737781 [0,2,0,0,0,0|1,0,0]=3 4081 B7R0.10 COC(=O)[C@H](C)CN MCULE-4694019206 [0,2,0,0,0,0|1,0,0]=3 4082 B7R0.10 COC(=O)[C@H](C)CN MCULE-9113866081 [0,2,0,0,0,0|1,0,0]=3 4083 B7R0.10 COC(=O)[C@H](C)CO MCULE-5719676432 [0,2,0,0,0,0|1,0,0]=3 4084 B7R0.10 COC(=O)[C@H](C)CO MCULE-8479546806 [0,2,0,0,0,0|1,0,0]=3 4085 B7R0.10 COC(=O)[C@H](C)OC MCULE-3095326114 [0,2,0,0,0,0|1,0,0]=3 4086 B7R0.10 COC(=O)[C@H](N)CCl MCULE-1199425954 [0,2,0,0,0,0|2,0,0]=4 4087 B7R0.10 COC(=O)[C@H](N)CCl MCULE-2611523756 [0,2,0,0,0,0|2,0,0]=4 4088 B7R0.10 COC(=O)[C@H](N)CCl MCULE-6503487325 [0,2,0,0,0,0|2,0,0]=4 4089 B7R0.10 COC(=O)[C@H](N)CCl MCULE-8714444412 [0,2,0,0,0,0|2,0,0]=4 4090 B7R0.10 COC(=O)[C@H](N)CO MCULE-4463451892 [0,2,0,0,0,0|2,0,0]=4 4091 B7R0.10 COC(=O)[C@H](N)CO MCULE-5622938569 [0,2,0,0,0,0|2,0,0]=4 4092 B7R0.10 COC(=O)[C@H](N)CO MCULE-6021580541 [0,2,0,0,0,0|2,0,0]=4 4093 B7R0.10 COC(=O)[C@H](N)CO MCULE-8237708167 [0,2,0,0,0,0|2,0,0]=4 4094 B7R0.10 COC(=O)[C@H](N)CS MCULE-1845308816 [0,2,0,0,0,0|2,0,0]=4 4095 B7R0.10 COC(=O)[C@H](N)CS MCULE-3480554390 [0,2,0,0,0,0|2,0,0]=4 4096 B7R0.10 COC(=O)[C@H](N)CS MCULE-4432617084 [0,2,0,0,0,0|2,0,0]=4 4097 B7R0.10 COC(=O)[C@H](N)CS MCULE-5747217193 [0,2,0,0,0,0|2,0,0]=4 4098 B7R0.10 COC(=O)[C@H](O)CN MCULE-5902729244 [0,2,0,0,0,0|2,0,0]=4 4099 B7R0.10 COC(=O)[C@H](O)CN MCULE-9252373981 [0,2,0,0,0,0|2,0,0]=4 4100 B7R0.10 COC(=O)[C@H](O)CO MCULE-4219956218 [0,2,0,0,0,0|2,0,0]=4 4101 B7R0.10 COC(=O)[C@H](O)CO MCULE-8891571940 [0,2,0,0,0,0|2,0,0]=4 4102 B7R0.10 COC(C)/C(=N/O)/N MCULE-3009628521 [0,2,0,0,0,0|1,0,1]=4 4103 B7R0.10 COC(C)C(=O)NN MCULE-7263059210 [0,2,0,0,0,0|1,0,0]=3 4104 B7R0.10 CON(C)C(=O)CBr MCULE-2482429241 [0,2,0,0,0,0|2,0,0]=4 4105 B7R0.10 CON(C)C(=O)CCl MCULE-1502732282 [0,2,0,0,0,0|2,0,0]=4 4106 B7R0.10 CON(C)C(=O)CF MCULE-9037247053 [0,2,0,0,0,0|2,0,0]=4 4107 B7R0.10 CON(C)C(=O)CN MCULE-1461344814 [0,2,0,0,0,0|2,0,0]=4 4108 B7R0.10 CON(C)C(=O)CN MCULE-5305104539 [0,2,0,0,0,0|2,0,0]=4 4109 B7R0.10 NC(CCl)C(=O)NO MCULE-8256545065 [0,2,0,0,0,0|2,0,0]=4 4110 B7R0.10 NNC(=O)C(N)CO MCULE-3324075598 [0,2,0,0,0,0|2,0,0]=4 4111 B7R0.10 NNC(=O)C(N)CO MCULE-6651241883 [0,2,0,0,0,0|2,0,0]=4 4112 B7R0.10 NNC(=O)[C@@H](N)CS MCULE-9375468264 [0,2,0,0,0,0|2,0,0]=4 4113 B7R0.10 O=C(CO)C(O)CO MCULE-9818197491 [0,2,0,0,0,0|2,0,0]=4 4114 B7R0.10 O=C(CO)[C@@H](O)CO MCULE-8306776225 [0,2,0,0,0,0|2,0,0]=4 4115 B7R0.10 O=C(CO)[C@@H](O)CO MCULE-8666498937 [0,2,0,0,0,0|2,0,0]=4 4116 B7R0.10 O=C(CO)[C@H](O)CO MCULE-7828531161 [0,2,0,0,0,0|2,0,0]=4 4117 B7R0.10 O=CC(O)C(O)C=O MCULE-3439629952 [0,2,0,0,0,0|1,0,1]=4 4118 B7R0.10 O=CC(O)C(O)CO MCULE-9564469242 [0,2,0,0,0,0|1,0,0]=3 4119 B7R0.10 O=C[C@@H](O)[C@@H](O)CO MCULE-3532911413 [0,2,0,0,0,0|1,0,0]=3 4120 B7R0.10 O=C[C@@H](O)[C@@H](O)CO MCULE-5707669784 [0,2,0,0,0,0|1,0,0]=3 4121 B7R0.10 O=C[C@@H](O)[C@H](O)CO MCULE-4902023669 [0,2,0,0,0,0|1,0,0]=3 4122 B7R0.10 O=C[C@H](O)[C@@H](O)CO MCULE-5975565699 [0,2,0,0,0,0|1,0,0]=3 4123 B7R0.10 O=C[C@H](O)[C@H](O)CO MCULE-3036594515 [0,2,0,0,0,0|1,0,0]=3 4124 B7R0.10 O=C[C@H](O)[C@H](O)CO MCULE-5412566780 [0,2,0,0,0,0|1,0,0]=3 4125 B7R0.10 [C@@H](C)(CC)[C@@H](N)CO MCULE-4423825378 [0,2,0,0,0,0|0,0,2]=4 4126 B7R0.10 [C@@H](C)(NC)C(=O)OC MCULE-1799930850 [0,2,0,0,0,0|1,0,0]=3 4127 B7R0.10 [C@@H](C)(NC)C(=O)OC MCULE-5931188957 [0,2,0,0,0,0|1,0,0]=3 4128 B7R0.11 C#CC(C)(C)NCC MCULE-7501693773 [0,2,0,0,0,0|1,0,1]=4 4129 B7R0.11 C#CC(C)(O)CCC MCULE-3734924257 [0,2,0,0,0,0|1,0,1]=4 4130 B7R0.11 C#CC(C)(O)COC MCULE-1647227373 [0,2,0,0,0,0|1,0,1]=4 4131 B7R0.11 C#CCC(C)(O)CC MCULE-6426679594 [0,2,0,0,0,0|1,0,1]=4 4132 B7R0.11 C=CC(C)(C)CCC MCULE-7100135827 [0,2,0,0,0,0|1,0,0]=3 4133 B7R0.11 C=CC(C)(C)CCN MCULE-5742499645 [0,2,0,0,0,0|1,0,0]=3 4134 B7R0.11 C=CC(C)(C)CCO MCULE-8304657692 [0,2,0,0,0,0|1,0,0]=3 4135 B7R0.11 C=CCC(C)(C)C=O MCULE-7775740469 [0,2,0,0,0,0|0,0,1]=3 4136 B7R0.11 C=CCC(C)(C)CBr MCULE-9740943164 [0,2,0,0,0,0|2,0,0]=4 4137 B7R0.11 C=CCC(C)(C)CN MCULE-2595926487 [0,2,0,0,0,0|2,0,0]=4 4138 B7R0.11 C=CCC(C)(C)CN MCULE-2740367961 [0,2,0,0,0,0|2,0,0]=4 4139 B7R0.11 C=CCC(C)(C)CO MCULE-7471335170 [0,2,0,0,0,0|2,0,0]=4 4140 B7R0.11 C=CCC(C)(O)CC MCULE-9630662931 [0,2,0,0,0,0|1,0,0]=3 4141 B7R0.11 C=C[Si](C)(C)OCC MCULE-9281604517 [0,2,0,0,0,0|1,1,0]=4 4142 B7R0.11 CC(C)(C#N)CC=O MCULE-9073567251 [0,2,0,0,0,0|1,0,1]=4 4143 B7R0.11 CC(C)(C#N)CCBr MCULE-9415057453 [0,2,0,0,0,0|1,0,1]=4 4144 B7R0.11 CC(C)(C#N)CCCl MCULE-1635402787 [0,2,0,0,0,0|1,0,1]=4 4145 B7R0.11 CC(C)(C#N)CCN MCULE-7392723389 [0,2,0,0,0,0|1,0,1]=4 4146 B7R0.11 CC(C)(C#N)CCO MCULE-3558208026 [0,2,0,0,0,0|1,0,1]=4 4147 B7R0.11 CC(C)(CCO)NN MCULE-1046472199 [0,2,0,0,0,0|2,0,0]=4 4148 B7R0.11 CC(C)(CCO)NN MCULE-7858562799 [0,2,0,0,0,0|2,0,0]=4 4149 B7R0.11 CC(C)(CCl)CCCl MCULE-9732928702 [0,2,0,0,0,0|1,0,1]=4 4150 B7R0.11 CC(C)(CN)CCO MCULE-8453542373 [0,2,0,0,0,0|1,0,1]=4 4151 B7R0.11 CC(C)(CO)CCN MCULE-5221703852 [0,2,0,0,0,0|0,0,2]=4 4152 B7R0.11 CC(C)(CO)CCN MCULE-7380535368 [0,2,0,0,0,0|0,0,2]=4 4153 B7R0.11 CC(C)(CO)CCO MCULE-1756560398 [0,2,0,0,0,0|0,0,2]=4 4154 B7R0.11 CC(C)(CO)NC=O MCULE-3904144073 [0,2,0,0,0,0|1,0,0]=3 4155 B7R0.11 CC(N)(CO)CCF MCULE-5569472665 [0,2,0,0,0,0|0,0,2]=4 4156 B7R0.11 CC(O)(CO)CCO MCULE-4148316300 [0,2,0,0,0,0|0,0,2]=4 4157 B7R0.11 CCC(C)(C)C=NO MCULE-6597900233 [0,2,0,0,0,0|0,0,1]=3 4158 B7R0.11 CCC(C)(C)CC=O MCULE-5511626130 [0,2,0,0,0,0|0,0,0]=2 4159 B7R0.11 CCC(C)(C)CCBr MCULE-8754627573 [0,2,0,0,0,0|1,0,1]=4 4160 B7R0.11 CCC(C)(C)CCCl MCULE-2699346020 [0,2,0,0,0,0|1,0,1]=4 4161 B7R0.11 CCC(C)(C)CCN MCULE-3224833531 [0,2,0,0,0,0|1,0,1]=4 4162 B7R0.11 CCC(C)(C)CCN MCULE-6016829915 [0,2,0,0,0,0|1,0,1]=4 4163 B7R0.11 CCC(C)(C)CCO MCULE-5248034600 [0,2,0,0,0,0|0,0,2]=4 4164 B7R0.11 CCC(C)(C)N=C=S MCULE-7235202433 [0,2,0,0,0,0|0,1,1]=4 4165 B7R0.11 CCC(C)(N)CCO MCULE-7673513204 [0,2,0,0,0,0|0,0,2]=4 4166 B7R0.11 CCC(C)(O)CCO MCULE-6173398477 [0,2,0,0,0,0|0,0,2]=4 4167 B7R0.11 CCCC(C)(C)C#N MCULE-6368929813 [0,2,0,0,0,0|1,0,1]=4 4168 B7R0.11 CCCC(C)(C)C=O MCULE-1675435662 [0,2,0,0,0,0|0,0,0]=2 4169 B7R0.11 CCCC(C)(C)CC MCULE-6673337989 [0,2,0,0,0,0|1,0,1]=4 4170 B7R0.11 CCCC(C)(N)C#N MCULE-6266398743 [0,2,0,0,0,0|1,0,1]=4 4171 B7R0.11 CCCC(C)(N)CN MCULE-3215432035 [0,2,0,0,0,0|1,0,1]=4 4172 B7R0.11 CCCC(C)(N)CO MCULE-9180767555 [0,2,0,0,0,0|0,0,2]=4 4173 B7R0.11 CCCC(C)(O)C#N MCULE-3772295069 [0,2,0,0,0,0|1,0,1]=4 4174 B7R0.11 CCCC(C)(O)CC MCULE-9155096022 [0,2,0,0,0,0|1,0,1]=4 4175 B7R0.11 CCCC(C)(O)CN MCULE-4716937953 [0,2,0,0,0,0|1,0,1]=4 4176 B7R0.11 CCCC(C)(O)CO MCULE-3737630396 [0,2,0,0,0,0|0,0,2]=4 4177 B7R0.11 CCNC(C)(C)C#N MCULE-4668863517 [0,2,0,0,0,0|1,0,1]=4 4178 B7R0.11 CCNC(C)(C)CO MCULE-9120392867 [0,2,0,0,0,0|0,0,2]=4 4179 B7R0.11 CCNC(C)(C)CO MCULE-9465450982 [0,2,0,0,0,0|0,0,2]=4 4180 B7R0.11 CCOC(C)(C)C=O MCULE-7101941149 [0,2,0,0,0,0|0,0,0]=2 4181 B7R0.11 CCOC(C)(C)CC MCULE-6659357523 [0,2,0,0,0,0|1,0,1]=4 4182 B7R0.11 CCOC(C)(C)CN MCULE-5951578625 [0,2,0,0,0,0|1,0,1]=4 4183 B7R0.11 CCOC(C)(C)CN MCULE-9391246326 [0,2,0,0,0,0|1,0,1]=4 4184 B7R0.11 CCOC(C)(C)CO MCULE-6294474255 [0,2,0,0,0,0|0,0,2]=4 4185 B7R0.11 CCO[C@](C)(O)CO MCULE-2547633573 [0,2,0,0,0,0|0,0,2]=4 4186 B7R0.11 CNC(C)(C)CCO MCULE-4689746373 [0,2,0,0,0,0|2,0,0]=4 4187 B7R0.11 CNC(C)(C)COC MCULE-2651000110 [0,2,0,0,0,0|2,0,0]=4 4188 B7R0.11 CNC(C)(C)COC MCULE-7557622880 [0,2,0,0,0,0|2,0,0]=4 4189 B7R0.11 CNCC(C)(C)C#N MCULE-2457192996 [0,2,0,0,0,0|1,0,1]=4 4190 B7R0.11 CNCC(C)(C)C#N MCULE-8651669230 [0,2,0,0,0,0|1,0,1]=4 4191 B7R0.11 CNCC(C)(C)CN MCULE-1948897636 [0,2,0,0,0,0|1,0,1]=4 4192 B7R0.11 CNCC(C)(C)CO MCULE-1912751262 [0,2,0,0,0,0|0,0,2]=4 4193 B7R0.11 COC(C)(C)CC=O MCULE-7442199663 [0,2,0,0,0,0|1,0,0]=3 4194 B7R0.11 COC(C)(C)CCBr MCULE-4991560289 [0,2,0,0,0,0|2,0,0]=4 4195 B7R0.11 COC(C)(C)CCN MCULE-7302419141 [0,2,0,0,0,0|2,0,0]=4 4196 B7R0.11 COC(C)(C)CCN MCULE-8717421395 [0,2,0,0,0,0|2,0,0]=4 4197 B7R0.11 COC(C)(C)CCO MCULE-4448949329 [0,2,0,0,0,0|2,0,0]=4 4198 B7R0.11 COCC(C)(C)C#N MCULE-9099540228 [0,2,0,0,0,0|1,0,1]=4 4199 B7R0.11 COCC(C)(C)C=O MCULE-9091298674 [0,2,0,0,0,0|0,0,0]=2 4200 B7R0.11 COCC(C)(C)CBr MCULE-2591763859 [0,2,0,0,0,0|1,0,1]=4 4201 B7R0.11 COCC(C)(C)CN MCULE-6321252323 [0,2,0,0,0,0|1,0,1]=4 4202 B7R0.11 COCC(C)(C)CN MCULE-8662870324 [0,2,0,0,0,0|1,0,1]=4 4203 B7R0.11 COCC(C)(C)CO MCULE-2985367717 [0,2,0,0,0,0|0,0,2]=4 4204 B7R0.11 COCC(C)(N)C#N MCULE-4779930875 [0,2,0,0,0,0|1,0,1]=4 4205 B7R0.11 COCC(C)(N)CN MCULE-1467574919 [0,2,0,0,0,0|1,0,1]=4 4206 B7R0.11 COCC(C)(N)CO MCULE-2603485329 [0,2,0,0,0,0|0,0,2]=4 4207 B7R0.11 COCC(C)(N)CO MCULE-3416999559 [0,2,0,0,0,0|0,0,2]=4 4208 B7R0.11 COCC(C)(O)CN MCULE-8403551049 [0,2,0,0,0,0|1,0,1]=4 4209 B7R0.11 COCC(C)(O)CN MCULE-8479817538 [0,2,0,0,0,0|1,0,1]=4 4210 B7R0.11 CSC(C)(C)CC=O MCULE-1759296791 [0,2,0,0,0,0|1,0,0]=3 4211 B7R0.11 CSCC(C)(C)CO MCULE-4089291196 [0,2,0,0,0,0|0,0,2]=4 4212 B7R0.11 CSCC(C)(N)C#N MCULE-4406087207 [0,2,0,0,0,0|1,0,1]=4 4213 B7R0.11 CSCC(C)(N)C#N MCULE-4987558587 [0,2,0,0,0,0|1,0,1]=4 4214 B7R0.11 CSCC(C)(O)CN MCULE-7935135383 [0,2,0,0,0,0|1,0,1]=4 4215 B7R0.12 C=CCC(CO)CO MCULE-4178696072 [0,2,0,0,0,0|2,0,0]=4 4216 B7R0.12 C=CCN(CC)CC MCULE-1169203218 [0,2,0,0,0,0|2,0,0]=4 4217 B7R0.12 CCC(CC)CC=O MCULE-2208426846 [0,2,0,0,0,0|0,0,0]=2 4218 B7R0.12 CCC(CC)CCN MCULE-4512470364 [0,2,0,0,0,0|1,0,1]=4 4219 B7R0.12 CCC(CC)CCO MCULE-1684491793 [0,2,0,0,0,0|0,0,2]=4 4220 B7R0.12 CCC(CC)CNN MCULE-7524193355 [0,2,0,0,0,0|1,0,1]=4 4221 B7R0.12 CCC(CC)CNN MCULE-7889669164 [0,2,0,0,0,0|1,0,1]=4 4222 B7R0.12 CCC(CC)CON MCULE-6366873843 [0,2,0,0,0,0|0,0,2]=4 4223 B7R0.12 CCC(CC)N=C=O MCULE-1936358951 [0,2,0,0,0,0|0,0,1]=3 4224 B7R0.12 CCC(CC)N=C=S MCULE-3779180400 [0,2,0,0,0,0|0,1,1]=4 4225 B7R0.12 CCC(CN)CCO MCULE-4612619767 [0,2,0,0,0,0|0,0,2]=4 4226 B7R0.12 CCC(CSC)NC MCULE-6079897043 [0,2,0,0,0,0|0,1,1]=4 4227 B7R0.12 CCCC(C#N)NC MCULE-1865924335 [0,2,0,0,0,0|1,0,1]=4 4228 B7R0.12 CCCC(C#N)NC MCULE-4445984378 [0,2,0,0,0,0|1,0,1]=4 4229 B7R0.12 CCCC(C#N)OC MCULE-8004262029 [0,2,0,0,0,0|1,0,1]=4 4230 B7R0.12 CCCC(CN)OC MCULE-6456891707 [0,2,0,0,0,0|1,0,1]=4 4231 B7R0.12 CCCC(CO)CO MCULE-2372919180 [0,2,0,0,0,0|0,0,2]=4 4232 B7R0.12 CCCC(CO)OC MCULE-9427398002 [0,2,0,0,0,0|0,0,2]=4 4233 B7R0.12 CCCC(OC)OC MCULE-9755419351 [0,2,0,0,0,0|2,0,0]=4 4234 B7R0.12 CCN(CCO)N=O MCULE-3100234015 [0,2,0,0,0,0|2,0,0]=4 4235 B7R0.12 CCNC(C#N)CC MCULE-4041959325 [0,2,0,0,0,0|1,0,1]=4 4236 B7R0.12 CCNC(C#N)CC MCULE-8502710031 [0,2,0,0,0,0|1,0,1]=4 4237 B7R0.12 CCNC(CC)CC MCULE-2150962345 [0,2,0,0,0,0|1,0,1]=4 4238 B7R0.12 CCNC(CC)CC MCULE-7819167061 [0,2,0,0,0,0|1,0,1]=4 4239 B7R0.12 CCNC(CC)CO MCULE-2240229411 [0,2,0,0,0,0|0,0,2]=4 4240 B7R0.12 CCN[C@@H](CC)CO MCULE-3793090402 [0,2,0,0,0,0|0,0,2]=4 4241 B7R0.12 CCN[C@@H](CC)CO MCULE-7960570694 [0,2,0,0,0,0|0,0,2]=4 4242 B7R0.12 CCOC(C#N)CBr MCULE-9192705646 [0,2,0,0,0,0|1,0,1]=4 4243 B7R0.12 CCOC(CC)CBr MCULE-9805591276 [0,2,0,0,0,0|1,0,1]=4 4244 B7R0.12 CCOC(CC)CN MCULE-3206225209 [0,2,0,0,0,0|1,0,1]=4 4245 B7R0.12 CCOC(CC)CN MCULE-9811140121 [0,2,0,0,0,0|1,0,1]=4 4246 B7R0.12 CCOC(CN)CN MCULE-8474624366 [0,2,0,0,0,0|1,0,1]=4 4247 B7R0.12 CCOC(CO)CBr MCULE-3004663873 [0,2,0,0,0,0|0,0,2]=4 4248 B7R0.12 CNCC(OC)OC MCULE-4492281270 [0,2,0,0,0,0|2,0,0]=4 4249 B7R0.12 COC(C#N)CCN MCULE-5270955180 [0,2,0,0,0,0|1,0,1]=4 4250 B7R0.12 COC(CCBr)OC MCULE-4690008517 [0,2,0,0,0,0|2,0,0]=4 4251 B7R0.12 COC(CCCl)OC MCULE-1101836062 [0,2,0,0,0,0|2,0,0]=4 4252 B7R0.12 COC(CN)CCN MCULE-6044078562 [0,2,0,0,0,0|1,0,1]=4 4253 B7R0.12 COC(CO)CCN MCULE-1177905249 [0,2,0,0,0,0|0,0,2]=4 4254 B7R0.12 COC(CSC)OC MCULE-7367035915 [0,2,0,0,0,0|2,0,0]=4 4255 B7R0.12 COCC(C#N)OC MCULE-4608647789 [0,2,0,0,0,0|1,0,1]=4 4256 B7R0.12 COCC(CBr)OC MCULE-9551672317 [0,2,0,0,0,0|1,0,1]=4 4257 B7R0.12 COCC(CN)OC MCULE-4660699329 [0,2,0,0,0,0|1,0,1]=4 4258 B7R0.12 COCC(CO)OC MCULE-6775038884 [0,2,0,0,0,0|0,0,2]=4 4259 B7R0.12 COCC(OC)OC MCULE-1839791643 [0,2,0,0,0,0|2,0,0]=4 4260 B7R0.12 COC[C@@H](CO)OC MCULE-7098934437 [0,2,0,0,0,0|0,0,2]=4 4261 B7R0.12 COC[C@H](CN)OC MCULE-7911151873 [0,2,0,0,0,0|1,0,1]=4 4262 B7R0.12 NCCC(CO)CO MCULE-7028267284 [0,2,0,0,0,0|0,0,2]=4 4263 B7R0.12 NCCC(CO)CO MCULE-8865812482 [0,2,0,0,0,0|0,0,2]=4 4264 B7R0.12 OCCC(CO)CO MCULE-7198799967 [0,2,0,0,0,0|0,0,2]=4 4265 B7R0.13 C#CC(C)(C)C(=O)O MCULE-4971472343 [0,2,0,0,0,0|0,0,2]=4 4266 B7R0.13 C#CC(C)(O)C(C)C MCULE-4336185437 [0,2,0,0,0,0|1,0,1]=4 4267 B7R0.13 C=CC(C)(C)C(=O)O MCULE-4029204507 [0,2,0,0,0,0|0,0,2]=4 4268 B7R0.13 C=CC(C)(O)C(=O)O MCULE-2362688567 [0,2,0,0,0,0|0,0,2]=4 4269 B7R0.13 C=C[C@@](C)(N)C(=O)O MCULE-4703482436 [0,2,0,0,0,0|0,0,2]=4 4270 B7R0.13 CC(=O)C(C)(C)C#N MCULE-1850672063 [0,2,0,0,0,0|1,0,1]=4 4271 B7R0.13 CC(=O)C(C)(C)CO MCULE-7885820738 [0,2,0,0,0,0|1,0,0]=3 4272 B7R0.13 CC(=O)C(F)(F)CBr MCULE-6144124710 [0,2,0,0,0,0|2,0,0]=4 4273 B7R0.13 CC(Br)(CBr)C(=O)O MCULE-1859698457 [0,2,0,0,0,0|1,0,0]=3 4274 B7R0.13 CC(Br)(CO)N(=O)=O MCULE-7018173037 [0,2,0,0,0,0|2,0,0]=4 4275 B7R0.13 CC(C)(C#N)C(=O)N MCULE-9366288195 [0,2,0,0,0,0|1,0,1]=4 4276 B7R0.13 CC(C)(C#N)C(=O)O MCULE-8297007076 [0,2,0,0,0,0|1,0,1]=4 4277 B7R0.13 CC(C)(C=O)C(F)F MCULE-3442956000 [0,2,0,0,0,0|1,0,0]=3 4278 B7R0.13 CC(C)(CBr)C(=O)Cl MCULE-2173837084 [0,2,0,0,0,0|1,0,0]=3 4279 B7R0.13 CC(C)(CBr)C(=O)F MCULE-3596602192 [0,2,0,0,0,0|1,0,0]=3 4280 B7R0.13 CC(C)(CBr)C(=O)N MCULE-5685972374 [0,2,0,0,0,0|1,0,0]=3 4281 B7R0.13 CC(C)(CBr)C(=O)O MCULE-2715950010 [0,2,0,0,0,0|1,0,0]=3 4282 B7R0.13 CC(C)(CCl)C(=O)O MCULE-2346120215 [0,2,0,0,0,0|1,0,0]=3 4283 B7R0.13 CC(C)(CF)C(=O)O MCULE-5866229087 [0,2,0,0,0,0|1,0,0]=3 4284 B7R0.13 CC(C)(CN)C(=O)N MCULE-6885361465 [0,2,0,0,0,0|1,0,0]=3 4285 B7R0.13 CC(C)(CN)C(=O)O MCULE-1750685187 [0,2,0,0,0,0|1,0,0]=3 4286 B7R0.13 CC(C)(CN)C(=O)O MCULE-7138204669 [0,2,0,0,0,0|1,0,0]=3 4287 B7R0.13 CC(C)(CO)C(=O)O MCULE-8700273400 [0,2,0,0,0,0|1,0,0]=3 4288 B7R0.13 CC(C)(CO)N(=O)=O MCULE-6787663159 [0,2,0,0,0,0|2,0,0]=4 4289 B7R0.13 CC(C)(ON)C(=O)O MCULE-3628409953 [0,2,0,0,0,0|2,0,0]=4 4290 B7R0.13 CC(C)(ON)C(=O)O MCULE-4840137554 [0,2,0,0,0,0|2,0,0]=4 4291 B7R0.13 CC(C)C(C)(C)C=O MCULE-5719710912 [0,2,0,0,0,0|0,0,0]=2 4292 B7R0.13 CC(C)C(C)(C)CBr MCULE-1417156153 [0,2,0,0,0,0|1,0,1]=4 4293 B7R0.13 CC(C)C(C)(C)CN MCULE-1474008645 [0,2,0,0,0,0|1,0,1]=4 4294 B7R0.13 CC(C)C(C)(C)CN MCULE-3575810096 [0,2,0,0,0,0|1,0,1]=4 4295 B7R0.13 CC(C)C(C)(C)CO MCULE-1206498909 [0,2,0,0,0,0|0,0,2]=4 4296 B7R0.13 CC(C)C(C)(N)C#N MCULE-1173643434 [0,2,0,0,0,0|1,0,1]=4 4297 B7R0.13 CC(C)C(C)(N)CN MCULE-2884198159 [0,2,0,0,0,0|1,0,1]=4 4298 B7R0.13 CC(C)C(C)(O)CN MCULE-2436598879 [0,2,0,0,0,0|1,0,1]=4 4299 B7R0.13 CC(C)C(C)(O)CO MCULE-7640109698 [0,2,0,0,0,0|0,0,2]=4 4300 B7R0.13 CC(C)C(Cl)(Cl)C=O MCULE-3185088427 [0,2,0,0,0,0|1,0,0]=3 4301 B7R0.13 CC(Cl)(CCl)C(=O)O MCULE-9297172670 [0,2,0,0,0,0|1,0,0]=3 4302 B7R0.13 CC(N)(CO)C(=O)O MCULE-5973815630 [0,2,0,0,0,0|1,0,0]=3 4303 B7R0.13 CC(N)(CO)C(=O)O MCULE-6877149014 [0,2,0,0,0,0|1,0,0]=3 4304 B7R0.13 CC(N)(CS)C(=O)O MCULE-4669241619 [0,2,0,0,0,0|1,0,0]=3 4305 B7R0.13 CC(N)(CS)C(=O)O MCULE-8539612367 [0,2,0,0,0,0|1,0,0]=3 4306 B7R0.13 CC(N)C(C)(C)C#N MCULE-8101579755 [0,2,0,0,0,0|1,0,1]=4 4307 B7R0.13 CC(N)C(C)(C)C#N MCULE-9684699745 [0,2,0,0,0,0|1,0,1]=4 4308 B7R0.13 CC(O)(CBr)C(=O)O MCULE-4224343890 [0,2,0,0,0,0|1,0,0]=3 4309 B7R0.13 CC(O)(CBr)C(=O)O MCULE-5597565903 [0,2,0,0,0,0|1,0,0]=3 4310 B7R0.13 CC(O)(CO)C(=O)O MCULE-5566145169 [0,2,0,0,0,0|1,0,0]=3 4311 B7R0.13 CC(O)C(C)(C)C#N MCULE-7199396443 [0,2,0,0,0,0|1,0,1]=4 4312 B7R0.13 CC(O)C(C)(C)CN MCULE-2675460571 [0,2,0,0,0,0|1,0,1]=4 4313 B7R0.13 CC(O)C(C)(C)CO MCULE-1064066796 [0,2,0,0,0,0|0,0,2]=4 4314 B7R0.13 CCC(C)(Br)B(O)O MCULE-2332813193 [0,2,0,0,0,0|1,0,1]=4 4315 B7R0.13 CCC(C)(Br)C(=O)Br MCULE-8711399189 [0,2,0,0,0,0|0,0,0]=2 4316 B7R0.13 CCC(C)(Br)C(=O)O MCULE-2564629085 [0,2,0,0,0,0|0,0,0]=2 4317 B7R0.13 CCC(C)(C)C(=O)C MCULE-3647111938 [0,2,0,0,0,0|0,0,0]=2 4318 B7R0.13 CCC(C)(C)C(=O)Cl MCULE-7950206740 [0,2,0,0,0,0|0,0,0]=2 4319 B7R0.13 CCC(C)(C)C(=O)O MCULE-2539552186 [0,2,0,0,0,0|0,0,0]=2 4320 B7R0.13 CCC(C)(C)C(C)N MCULE-8507623985 [0,2,0,0,0,0|1,0,1]=4 4321 B7R0.13 CCC(C)(C)C(C)N MCULE-9937664897 [0,2,0,0,0,0|1,0,1]=4 4322 B7R0.13 CCC(C)(C)S(=O)N MCULE-1907765063 [0,2,0,0,0,0|1,0,0]=3 4323 B7R0.13 CCC(C)(C)[S@@](=O)N MCULE-2523817278 [0,2,0,0,0,0|1,0,0]=3 4324 B7R0.13 CCC(C)(C)[S@@](=O)N MCULE-5923909544 [0,2,0,0,0,0|1,0,0]=3 4325 B7R0.13 CCC(C)(C)[S@](=O)N MCULE-9246547080 [0,2,0,0,0,0|1,0,0]=3 4326 B7R0.13 CCC(C)(C)[S@](=O)N MCULE-9419544831 [0,2,0,0,0,0|1,0,0]=3 4327 B7R0.13 CCC(C)(N)C(=O)N MCULE-6399521661 [0,2,0,0,0,0|0,0,0]=2 4328 B7R0.13 CCC(C)(N)C(=O)O MCULE-4944905519 [0,2,0,0,0,0|0,0,0]=2 4329 B7R0.13 CCC(C)(N)C(=O)O MCULE-8684474701 [0,2,0,0,0,0|0,0,0]=2 4330 B7R0.13 CCC(C)(N)C(=O)O MCULE-9925925283 [0,2,0,0,0,0|0,0,0]=2 4331 B7R0.13 CCC(C)(O)C(=O)C MCULE-5532598723 [0,2,0,0,0,0|0,0,0]=2 4332 B7R0.13 CCC(C)(O)C(=O)Cl MCULE-2893490565 [0,2,0,0,0,0|0,0,0]=2 4333 B7R0.13 CCC(C)(O)C(=O)N MCULE-7082405574 [0,2,0,0,0,0|0,0,0]=2 4334 B7R0.13 CCC(C)(O)C(=O)O MCULE-1193062860 [0,2,0,0,0,0|0,0,0]=2 4335 B7R0.13 CCC(C)(O)C(C)O MCULE-5475978311 [0,2,0,0,0,0|0,0,2]=4 4336 B7R0.13 CCC(F)(Br)C(=O)O MCULE-8280947459 [0,2,0,0,0,0|1,0,0]=3 4337 B7R0.13 CCC(F)(F)C(=O)O MCULE-3712601150 [0,2,0,0,0,0|1,0,0]=3 4338 B7R0.13 CCC(F)(F)C(=O)[O-] MCULE-3572838764 [0,2,0,0,0,0|1,0,0]=3 4339 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-4076270773 [0,2,0,0,0,0|0,0,0]=2 4340 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-4696366287 [0,2,0,0,0,0|0,0,0]=2 4341 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-7243626223 [0,2,0,0,0,0|0,0,0]=2 4342 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-8928070809 [0,2,0,0,0,0|0,0,0]=2 4343 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-1912860688 [0,2,0,0,0,0|0,0,0]=2 4344 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-3601494140 [0,2,0,0,0,0|0,0,0]=2 4345 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-4886902354 [0,2,0,0,0,0|0,0,0]=2 4346 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-8271138085 [0,2,0,0,0,0|0,0,0]=2 4347 B7R0.13 CC[C@](C)(O)C(=O)O MCULE-3871181536 [0,2,0,0,0,0|0,0,0]=2 4348 B7R0.13 CN(C)C(C)(C)C=O MCULE-4131230923 [0,2,0,0,0,0|1,0,0]=3 4349 B7R0.13 CNC(C)(C)C(=O)N MCULE-6402593977 [0,2,0,0,0,0|1,0,0]=3 4350 B7R0.13 CNC(C)(C)C(=O)N MCULE-9381926111 [0,2,0,0,0,0|1,0,0]=3 4351 B7R0.13 CNC(C)(C)C(=O)O MCULE-7551663553 [0,2,0,0,0,0|1,0,0]=3 4352 B7R0.13 CNC(C)(C)C(=O)O MCULE-9856262226 [0,2,0,0,0,0|1,0,0]=3 4353 B7R0.13 COC(C)(C)C(=O)C MCULE-2989232242 [0,2,0,0,0,0|1,0,0]=3 4354 B7R0.13 COC(C)(C)C(=O)N MCULE-4305162688 [0,2,0,0,0,0|1,0,0]=3 4355 B7R0.13 COC(C)(C)C(=O)O MCULE-6977996423 [0,2,0,0,0,0|1,0,0]=3 4356 B7R0.13 COC(C)(C)C(=S)N MCULE-5301285466 [0,2,0,0,0,0|1,1,0]=4 4357 B7R0.13 COC(C)(C)C(C)N MCULE-1405432657 [0,2,0,0,0,0|2,0,0]=4 4358 B7R0.13 COC(C)(C)C(C)N MCULE-8658451593 [0,2,0,0,0,0|2,0,0]=4 4359 B7R0.13 CSC(C)(C)C(=O)O MCULE-1032417728 [0,2,0,0,0,0|1,0,0]=3 4360 B7R0.13 C[C@@](N)(CO)C(=O)O MCULE-2146963065 [0,2,0,0,0,0|1,0,0]=3 4361 B7R0.13 C[C@@](N)(CO)C(=O)O MCULE-7622447669 [0,2,0,0,0,0|1,0,0]=3 4362 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-2627761655 [0,2,0,0,0,0|1,0,0]=3 4363 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-2887268414 [0,2,0,0,0,0|1,0,0]=3 4364 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-6190318443 [0,2,0,0,0,0|1,0,0]=3 4365 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-8033021501 [0,2,0,0,0,0|1,0,0]=3 4366 B7R0.13 C[C@@](O)(CBr)C(=O)O MCULE-2382162129 [0,2,0,0,0,0|1,0,0]=3 4367 B7R0.13 C[C@@](O)(CBr)C(=O)O MCULE-7944927738 [0,2,0,0,0,0|1,0,0]=3 4368 B7R0.13 C[C@](N)(CO)C(=O)O MCULE-2760852916 [0,2,0,0,0,0|1,0,0]=3 4369 B7R0.13 C[C@](N)(CO)C(=O)O MCULE-4734633152 [0,2,0,0,0,0|1,0,0]=3 4370 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-1527310768 [0,2,0,0,0,0|1,0,0]=3 4371 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-4351926054 [0,2,0,0,0,0|1,0,0]=3 4372 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-6261566257 [0,2,0,0,0,0|1,0,0]=3 4373 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-9035242130 [0,2,0,0,0,0|1,0,0]=3 4374 B7R0.13 C[C@](O)(CBr)C(=O)O MCULE-1143505996 [0,2,0,0,0,0|1,0,0]=3 4375 B7R0.13 C[C@](O)(CBr)C(=O)O MCULE-7898456152 [0,2,0,0,0,0|1,0,0]=3 4376 B7R0.13 NCC(F)(F)C(=O)N MCULE-1522301920 [0,2,0,0,0,0|2,0,0]=4 4377 B7R0.13 NCC(F)(F)C(=O)N MCULE-2239490291 [0,2,0,0,0,0|2,0,0]=4 4378 B7R0.13 NCC(F)(F)C(=O)O MCULE-3688560337 [0,2,0,0,0,0|2,0,0]=4 4379 B7R0.13 NCC(F)(F)C(=O)O MCULE-9077054646 [0,2,0,0,0,0|2,0,0]=4 4380 B7R0.13 O=C(Cl)C(F)(Cl)CCl MCULE-8770305626 [0,2,0,0,0,0|2,0,0]=4 4381 B7R0.13 O=C(O)C(Cl)(Cl)CCl MCULE-4394770604 [0,2,0,0,0,0|2,0,0]=4 4382 B7R0.13 O=C(O)C(F)(F)CO MCULE-4913704401 [0,2,0,0,0,0|2,0,0]=4 4383 B7R0.14 C=C(C=O)C(C)(C)C MCULE-1459556575 [0,2,0,0,0,0|0,0,2]=4 4384 B7R0.14 C=CC(C)C(C)(C)O MCULE-5525082295 [0,2,0,0,0,0|1,0,0]=3 4385 B7R0.14 C=CC(O)C(C)(C)C MCULE-4612864713 [0,2,0,0,0,0|2,0,0]=4 4386 B7R0.14 CC(C#N)C(C)(C)C MCULE-4376441875 [0,2,0,0,0,0|1,0,1]=4 4387 B7R0.14 CC(C)(C)C(=O)C=O MCULE-6968249228 [0,2,0,0,0,0|1,0,1]=4 4388 B7R0.14 CC(C=O)C(C)(C)C MCULE-9604117107 [0,2,0,0,0,0|0,0,0]=2 4389 B7R0.14 CC(C=O)C(F)(F)F MCULE-3900613203 [0,2,0,0,0,0|1,0,0]=3 4390 B7R0.14 CC(CBr)C(C)(C)C MCULE-6651711768 [0,2,0,0,0,0|1,0,1]=4 4391 B7R0.14 CC(CBr)C(C)(F)F MCULE-1127900198 [0,2,0,0,0,0|1,0,1]=4 4392 B7R0.14 CC(CCl)C(C)(C)C MCULE-3598136068 [0,2,0,0,0,0|1,0,1]=4 4393 B7R0.14 CC(CI)C(C)(C)C MCULE-7307944422 [0,2,0,0,0,0|1,0,1]=4 4394 B7R0.14 CC(CN)C(C)(C)C MCULE-9518533099 [0,2,0,0,0,0|1,0,1]=4 4395 B7R0.14 CC(CN)C(C)(C)C MCULE-9752514124 [0,2,0,0,0,0|1,0,1]=4 4396 B7R0.14 CC(CN)S(=O)(=O)C MCULE-1204117800 [0,2,0,0,0,0|2,0,0]=4 4397 B7R0.14 CC(CN)S(=O)(=O)C MCULE-9235747472 [0,2,0,0,0,0|2,0,0]=4 4398 B7R0.14 CC(CN)S(=O)(=O)N MCULE-6725610665 [0,2,0,0,0,0|2,0,0]=4 4399 B7R0.14 CC(CN)S(=O)(=O)N MCULE-8136533021 [0,2,0,0,0,0|2,0,0]=4 4400 B7R0.14 CC(CO)C(C)(C)C MCULE-7343676375 [0,2,0,0,0,0|0,0,2]=4 4401 B7R0.14 CC(CO)C(C)(C)O MCULE-8073024148 [0,2,0,0,0,0|0,0,2]=4 4402 B7R0.14 CC(CO)C(C)(F)F MCULE-3224311448 [0,2,0,0,0,0|0,0,2]=4 4403 B7R0.14 CC(NN)C(C)(C)C MCULE-1417533708 [0,2,0,0,0,0|2,0,0]=4 4404 B7R0.14 CC(NN)C(C)(C)C MCULE-7144410689 [0,2,0,0,0,0|2,0,0]=4 4405 B7R0.14 CC=C(C)C(C)(C)C MCULE-9617441610 [0,2,0,0,0,0|1,0,1]=4 4406 B7R0.14 CCC(C)C(C)(C)C MCULE-9713655910 [0,2,0,0,0,0|1,0,1]=4 4407 B7R0.14 CCC(C)S(=N)(=O)C MCULE-7078981450 [0,2,0,0,0,0|1,0,0]=3 4408 B7R0.14 CCC(C)S(=O)(=O)Cl MCULE-2920227730 [0,2,0,0,0,0|1,0,0]=3 4409 B7R0.14 CCC(C)S(=O)(=O)N MCULE-1411854215 [0,2,0,0,0,0|1,0,0]=3 4410 B7R0.14 CCC(C)S(=O)(=O)O MCULE-3403875457 [0,2,0,0,0,0|1,0,0]=3 4411 B7R0.14 CCC(C)[B-](F)(F)F MCULE-1130704197 [0,2,0,0,0,0|2,0,0]=4 4412 B7R0.14 CCC(C)[B-](F)(F)F MCULE-5059488198 [0,2,0,0,0,0|2,0,0]=4 4413 B7R0.14 CCC(N)P(=O)(O)O MCULE-5746903883 [0,2,0,0,0,0|2,0,0]=4 4414 B7R0.14 CCC(O)S(=O)(=O)O MCULE-8714704624 [0,2,0,0,0,0|2,0,0]=4 4415 B7R0.14 CCC(O)S(=O)(=O)[O-] MCULE-2259834066 [0,2,0,0,0,0|2,0,0]=4 4416 B7R0.14 CCN(C)S(=O)(=O)Cl MCULE-8920812911 [0,2,0,0,0,0|2,0,0]=4 4417 B7R0.14 CCN(C)S(=O)(=O)N MCULE-6730948353 [0,2,0,0,0,0|2,0,0]=4 4418 B7R0.14 CN(N=O)C(C)(C)C MCULE-8330394920 [0,2,0,0,0,0|2,0,0]=4 4419 B7R0.14 CNC(C)C(C)(C)C MCULE-4693587118 [0,2,0,0,0,0|2,0,0]=4 4420 B7R0.14 CNC(C)C(C)(C)C MCULE-9517831875 [0,2,0,0,0,0|2,0,0]=4 4421 B7R0.14 CNC(C)C(C)(C)O MCULE-9520032279 [0,2,0,0,0,0|2,0,0]=4 4422 B7R0.14 C[C@@H](CO)C(C)(C)O MCULE-1478332547 [0,2,0,0,0,0|0,0,2]=4 4423 B7R0.14 C[C@@H](CO)C(C)(C)O MCULE-2286439441 [0,2,0,0,0,0|0,0,2]=4 4424 B7R0.15 C#CC(OC)C(=O)O MCULE-9292798546 [0,2,0,0,0,0|0,0,2]=4 4425 B7R0.15 C=C(C)C(CC)CC MCULE-2424136176 [0,2,0,0,0,0|1,0,0]=3 4426 B7R0.15 CC(=O)C(CO)CO MCULE-6408384667 [0,2,0,0,0,0|1,0,0]=3 4427 B7R0.15 CC(C)C(C#N)C=O MCULE-7007501654 [0,2,0,0,0,0|0,0,1]=3 4428 B7R0.15 CC(C)C(CN)CO MCULE-2517509906 [0,2,0,0,0,0|0,0,2]=4 4429 B7R0.15 CC(C)C(CO)CO MCULE-8569465631 [0,2,0,0,0,0|0,0,2]=4 4430 B7R0.15 CC(C)C(CO)ON MCULE-7037439016 [0,2,0,0,0,0|2,0,0]=4 4431 B7R0.15 CC(C)C(CO)ON MCULE-9325437885 [0,2,0,0,0,0|2,0,0]=4 4432 B7R0.15 CC(O)C(CO)CO MCULE-9986430379 [0,2,0,0,0,0|0,0,2]=4 4433 B7R0.15 CC=C(CC)C(=O)O MCULE-9303879981 [0,2,0,0,0,0|0,0,1]=3 4434 B7R0.15 CCC(C#N)C(=O)O MCULE-4808497444 [0,2,0,0,0,0|0,0,1]=3 4435 B7R0.15 CCC(C=O)C(C)C MCULE-4336481271 [0,2,0,0,0,0|0,0,0]=2 4436 B7R0.15 CCC(CC)C(=O)C MCULE-5291760485 [0,2,0,0,0,0|0,0,0]=2 4437 B7R0.15 CCC(CC)C(=O)Cl MCULE-1027070009 [0,2,0,0,0,0|0,0,0]=2 4438 B7R0.15 CCC(CC)C(=O)N MCULE-7337294425 [0,2,0,0,0,0|0,0,0]=2 4439 B7R0.15 CCC(CC)C(=O)O MCULE-5236890306 [0,2,0,0,0,0|0,0,0]=2 4440 B7R0.15 CCC(CC)C(=S)N MCULE-8027076934 [0,2,0,0,0,0|0,1,0]=3 4441 B7R0.15 CCC(CC)C(C)C MCULE-3824081707 [0,2,0,0,0,0|1,0,1]=4 4442 B7R0.15 CCC(CC)C(C)N MCULE-1696057542 [0,2,0,0,0,0|1,0,1]=4 4443 B7R0.15 CCC(CC)C(C)O MCULE-9742014522 [0,2,0,0,0,0|0,0,2]=4 4444 B7R0.15 CCC(CN)C(=O)O MCULE-3795207054 [0,2,0,0,0,0|0,0,0]=2 4445 B7R0.15 CCC(CN)C(=O)O MCULE-3929048283 [0,2,0,0,0,0|0,0,0]=2 4446 B7R0.15 CCC(CN)C(C)C MCULE-1827845015 [0,2,0,0,0,0|1,0,1]=4 4447 B7R0.15 CCC(CN)N(C)C MCULE-3799974702 [0,2,0,0,0,0|1,0,1]=4 4448 B7R0.15 CCC(CN)N(C)C MCULE-4033411563 [0,2,0,0,0,0|1,0,1]=4 4449 B7R0.15 CCC(CO)C(=O)O MCULE-9435802738 [0,2,0,0,0,0|0,0,0]=2 4450 B7R0.15 CCC(CO)C(=O)[O-] MCULE-4277685135 [0,2,0,0,0,0|0,0,0]=2 4451 B7R0.15 CCC(CO)C(C)C MCULE-5089280337 [0,2,0,0,0,0|0,0,2]=4 4452 B7R0.15 CCC(CO)N(C)C MCULE-2812328375 [0,2,0,0,0,0|0,0,2]=4 4453 B7R0.15 CCC(NC)C(=O)N MCULE-1925914686 [0,2,0,0,0,0|0,0,0]=2 4454 B7R0.15 CCC(NC)C(=O)N MCULE-3283265693 [0,2,0,0,0,0|0,0,0]=2 4455 B7R0.15 CCC(NC)C(=O)O MCULE-4101988968 [0,2,0,0,0,0|0,0,0]=2 4456 B7R0.15 CCC(NC)C(=O)O MCULE-4491873969 [0,2,0,0,0,0|0,0,0]=2 4457 B7R0.15 CCC(NN)C(=O)O MCULE-8823684595 [0,2,0,0,0,0|1,0,0]=3 4458 B7R0.15 CCC(NO)C(=O)O MCULE-1962461048 [0,2,0,0,0,0|1,0,0]=3 4459 B7R0.15 CCC(OC)C(=O)N MCULE-4022181907 [0,2,0,0,0,0|0,0,0]=2 4460 B7R0.15 CCC(OC)C(=O)O MCULE-2475290794 [0,2,0,0,0,0|0,0,0]=2 4461 B7R0.15 CCC(SC)C(=O)O MCULE-3373016779 [0,2,0,0,0,0|0,0,0]=2 4462 B7R0.15 CCN(CC)C(=N)N MCULE-1751840001 [0,2,0,0,0,0|2,0,0]=4 4463 B7R0.15 CCN(CC)C(=N)N MCULE-3282435761 [0,2,0,0,0,0|2,0,0]=4 4464 B7R0.15 CCN(CC)C(=N)N MCULE-3885028683 [0,2,0,0,0,0|2,0,0]=4 4465 B7R0.15 CCN(CC)C(=N)N MCULE-5290490107 [0,2,0,0,0,0|2,0,0]=4 4466 B7R0.15 CCN(CC)C(=N)N MCULE-7397019839 [0,2,0,0,0,0|2,0,0]=4 4467 B7R0.15 CCN(CC)C(=O)C MCULE-6584128098 [0,2,0,0,0,0|1,0,0]=3 4468 B7R0.15 CCN(CC)C(=O)Cl MCULE-2162985195 [0,2,0,0,0,0|1,0,0]=3 4469 B7R0.15 CCN(CC)C(=O)N MCULE-7011051295 [0,2,0,0,0,0|1,0,0]=3 4470 B7R0.15 CCN(CC)C(=S)Cl MCULE-4304705575 [0,2,0,0,0,0|1,1,0]=4 4471 B7R0.15 CCN(CC)C(=S)N MCULE-6855799912 [0,2,0,0,0,0|1,1,0]=4 4472 B7R0.15 CCN(CC)C(=S)S MCULE-4000473182 [0,2,0,0,0,0|1,1,0]=4 4473 B7R0.15 CCN(CC)C(=S)[O-] MCULE-2771365018 [0,2,0,0,0,0|1,0,1]=4 4474 B7R0.15 CCN(CC)C(=S)[O-] MCULE-2927277910 [0,2,0,0,0,0|1,0,1]=4 4475 B7R0.15 CCN(CC)C(=S)[S-] MCULE-5049119646 [0,2,0,0,0,0|1,1,0]=4 4476 B7R0.15 CCN(CC)C(=S)[S-] MCULE-7228129367 [0,2,0,0,0,0|1,1,0]=4 4477 B7R0.15 CCN(CC)S(=O)F MCULE-2512916686 [0,2,0,0,0,0|2,0,0]=4 4478 B7R0.15 CCN(N=O)C(=O)N MCULE-1587704958 [0,2,0,0,0,0|2,0,0]=4 4479 B7R0.15 CCN(N=O)C(C)C MCULE-9728358196 [0,2,0,0,0,0|2,0,0]=4 4480 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-3190659348 [0,2,0,0,0,0|0,0,0]=2 4481 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-5613487575 [0,2,0,0,0,0|0,0,0]=2 4482 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-6726398435 [0,2,0,0,0,0|0,0,0]=2 4483 B7R0.15 CC[C@H](CN)C(=O)O MCULE-2222410753 [0,2,0,0,0,0|0,0,0]=2 4484 B7R0.15 CC[C@H](CN)C(=O)O MCULE-3153536523 [0,2,0,0,0,0|0,0,0]=2 4485 B7R0.15 CC[C@H](CO)C(=O)O MCULE-3017159819 [0,2,0,0,0,0|0,0,0]=2 4486 B7R0.15 CC[C@H](NC)C(=O)N MCULE-6927041915 [0,2,0,0,0,0|0,0,0]=2 4487 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8566282898 [0,2,0,0,0,0|0,0,0]=2 4488 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8659413445 [0,2,0,0,0,0|0,0,0]=2 4489 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8863599251 [0,2,0,0,0,0|0,0,0]=2 4490 B7R0.15 CNC(CN)C(=O)N MCULE-4431940195 [0,2,0,0,0,0|1,0,0]=3 4491 B7R0.15 CNC(CO)C(=O)O MCULE-1439435474 [0,2,0,0,0,0|1,0,0]=3 4492 B7R0.15 CNC(CO)C(=O)O MCULE-7611211207 [0,2,0,0,0,0|1,0,0]=3 4493 B7R0.15 CNC(CO)C(C)C MCULE-5445088789 [0,2,0,0,0,0|0,0,2]=4 4494 B7R0.15 CNC(CS)C(=O)O MCULE-4817727684 [0,2,0,0,0,0|1,0,0]=3 4495 B7R0.15 CNC(CS)C(=O)O MCULE-5741984055 [0,2,0,0,0,0|1,0,0]=3 4496 B7R0.15 CN[C@@H](CN)C(=O)O MCULE-3196852022 [0,2,0,0,0,0|1,0,0]=3 4497 B7R0.15 CN[C@@H](CN)C(=O)O MCULE-3690177999 [0,2,0,0,0,0|1,0,0]=3 4498 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-3320307572 [0,2,0,0,0,0|1,0,0]=3 4499 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-5844994620 [0,2,0,0,0,0|1,0,0]=3 4500 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6293854138 [0,2,0,0,0,0|1,0,0]=3 4501 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6463850730 [0,2,0,0,0,0|1,0,0]=3 4502 B7R0.15 CN[C@@H](CS)C(=O)O MCULE-3043115433 [0,2,0,0,0,0|1,0,0]=3 4503 B7R0.15 CN[C@@H](CS)C(=O)O MCULE-8814760080 [0,2,0,0,0,0|1,0,0]=3 4504 B7R0.15 CN[C@H](CO)C(=O)O MCULE-1791141182 [0,2,0,0,0,0|1,0,0]=3 4505 B7R0.15 CN[C@H](CO)C(=O)O MCULE-9346314213 [0,2,0,0,0,0|1,0,0]=3 4506 B7R0.15 COC(C=O)C(C)C MCULE-9722853501 [0,2,0,0,0,0|0,0,0]=2 4507 B7R0.15 COC(CBr)C(=O)O MCULE-5528365617 [0,2,0,0,0,0|1,0,0]=3 4508 B7R0.15 COC(CBr)C(C)C MCULE-2169119261 [0,2,0,0,0,0|1,0,1]=4 4509 B7R0.15 COC(CN)C(=O)N MCULE-3215392526 [0,2,0,0,0,0|1,0,0]=3 4510 B7R0.15 COC(CN)C(=O)O MCULE-1561937449 [0,2,0,0,0,0|1,0,0]=3 4511 B7R0.15 COC(CN)C(=O)O MCULE-7501291426 [0,2,0,0,0,0|1,0,0]=3 4512 B7R0.15 COC(CN)C(C)C MCULE-9651783224 [0,2,0,0,0,0|1,0,1]=4 4513 B7R0.15 COC(CO)C(C)Br MCULE-6071239484 [0,2,0,0,0,0|0,0,2]=4 4514 B7R0.15 COC(CO)C(C)C MCULE-8695619177 [0,2,0,0,0,0|0,0,2]=4 4515 B7R0.15 COC(CO)C(C)N MCULE-9816044841 [0,2,0,0,0,0|0,0,2]=4 4516 B7R0.15 COC(OC)C(=N)N MCULE-1897423045 [0,2,0,0,0,0|2,0,0]=4 4517 B7R0.15 COC(OC)C(=N)N MCULE-9805136082 [0,2,0,0,0,0|2,0,0]=4 4518 B7R0.15 COC(OC)C(=O)C MCULE-9746788369 [0,2,0,0,0,0|1,0,0]=3 4519 B7R0.15 COC(OC)C(=O)N MCULE-2624682764 [0,2,0,0,0,0|1,0,0]=3 4520 B7R0.15 COC(OC)C(=O)O MCULE-3341727181 [0,2,0,0,0,0|1,0,0]=3 4521 B7R0.15 COC(OC)C(=O)[O-] MCULE-5345464135 [0,2,0,0,0,0|1,0,0]=3 4522 B7R0.15 COC(OC)C(C)Br MCULE-1508849258 [0,2,0,0,0,0|2,0,0]=4 4523 B7R0.15 COC(OC)C(C)C MCULE-7291024997 [0,2,0,0,0,0|2,0,0]=4 4524 B7R0.15 COC(OC)C(C)N MCULE-3100864114 [0,2,0,0,0,0|2,0,0]=4 4525 B7R0.15 COC(OC)C(C)O MCULE-9058387582 [0,2,0,0,0,0|2,0,0]=4 4526 B7R0.15 COC(OC)[C@@H](C)O MCULE-2524252240 [0,2,0,0,0,0|2,0,0]=4 4527 B7R0.15 COC(OC)[C@H](C)O MCULE-2577056762 [0,2,0,0,0,0|2,0,0]=4 4528 B7R0.15 CO[C@@H](C=O)C(C)C MCULE-6654651958 [0,2,0,0,0,0|0,0,0]=2 4529 B7R0.15 CO[C@@H](CN)C(=O)O MCULE-5536624827 [0,2,0,0,0,0|1,0,0]=3 4530 B7R0.15 CO[C@@H](CN)C(=O)O MCULE-6198841067 [0,2,0,0,0,0|1,0,0]=3 4531 B7R0.15 CO[C@@H](CO)C(C)C MCULE-3676351737 [0,2,0,0,0,0|0,0,2]=4 4532 B7R0.15 CO[C@H](C=O)C(C)C MCULE-4139034238 [0,2,0,0,0,0|0,0,0]=2 4533 B7R0.15 CO[C@H](CO)C(C)C MCULE-2189146072 [0,2,0,0,0,0|0,0,2]=4 4534 B7R0.15 CSC(CO)C(C)N MCULE-6491195363 [0,2,0,0,0,0|0,0,2]=4 4535 B7R0.15 N#CC(CN)C(=O)O MCULE-3513807694 [0,2,0,0,0,0|1,0,1]=4 4536 B7R0.15 NC(=O)N(CO)CO MCULE-8654518853 [0,2,0,0,0,0|2,0,0]=4 4537 B7R0.15 NCC(CO)C(=O)O MCULE-5510878508 [0,2,0,0,0,0|1,0,0]=3 4538 B7R0.15 NCC(CO)C(=O)O MCULE-9991285445 [0,2,0,0,0,0|1,0,0]=3 4539 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-4607648703 [0,2,0,0,0,0|1,0,0]=3 4540 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-8943978569 [0,2,0,0,0,0|1,0,0]=3 4541 B7R0.15 NC[C@H](CO)C(=O)O MCULE-8459713640 [0,2,0,0,0,0|1,0,0]=3 4542 B7R0.15 O=C(O)C(CBr)CBr MCULE-5180730979 [0,2,0,0,0,0|1,0,0]=3 4543 B7R0.15 O=C(O)C(CS)CS MCULE-3175815620 [0,2,0,0,0,0|1,0,0]=3 4544 B7R0.15 O=C(O)[C@H](CO)NP MCULE-8418001133 [0,2,0,0,0,0|2,0,0]=4 4545 B7R0.15 O=N(=O)C(CO)CO MCULE-8874921455 [0,2,0,0,0,0|2,0,0]=4 4546 B7R0.16 C=C(C(=O)O)C(C)C MCULE-6667026437 [0,2,0,0,0,0|0,0,2]=4 4547 B7R0.16 C=C(C)C(C)C(=O)C MCULE-2480790812 [0,2,0,0,0,0|0,0,1]=3 4548 B7R0.16 C=C(C)C(N)C(=O)O MCULE-1815568719 [0,2,0,0,0,0|1,0,1]=4 4549 B7R0.16 C=C(C)C(N)C(=O)O MCULE-2839869274 [0,2,0,0,0,0|1,0,1]=4 4550 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5015326828 [0,2,0,0,0,0|1,0,1]=4 4551 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5043630144 [0,2,0,0,0,0|1,0,1]=4 4552 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-2007035571 [0,2,0,0,0,0|1,0,1]=4 4553 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-6240689602 [0,2,0,0,0,0|1,0,1]=4 4554 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-8025014656 [0,2,0,0,0,0|1,0,1]=4 4555 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-9704891439 [0,2,0,0,0,0|1,0,1]=4 4556 B7R0.16 CC(=C(C)C(=O)O)Br MCULE-9431818570 [0,2,0,0,0,0|0,0,2]=4 4557 B7R0.16 CC(=C(C)C(=O)O)C MCULE-1062537992 [0,2,0,0,0,0|0,0,2]=4 4558 B7R0.16 CC(=C(C)C(C)C)C MCULE-1277261872 [0,2,0,0,0,0|1,0,1]=4 4559 B7R0.16 CC(=O)C(=C(C)[O-])C MCULE-1358390281 [0,2,0,0,0,0|0,0,2]=4 4560 B7R0.16 CC(=O)C(=C(C)[O-])C MCULE-6098819264 [0,2,0,0,0,0|0,0,2]=4 4561 B7R0.16 CC(=O)C(=O)C(C)Br MCULE-8153095418 [0,2,0,0,0,0|1,0,1]=4 4562 B7R0.16 CC(=O)C(Br)C(=O)C MCULE-2980550700 [0,2,0,0,0,0|1,0,1]=4 4563 B7R0.16 CC(=O)C(Br)C(C)C MCULE-2864707278 [0,2,0,0,0,0|1,0,0]=3 4564 B7R0.16 CC(=O)C(C)C(=O)C MCULE-9607259412 [0,2,0,0,0,0|0,0,1]=3 4565 B7R0.16 CC(=O)C(Cl)C(=O)C MCULE-4716617423 [0,2,0,0,0,0|1,0,1]=4 4566 B7R0.16 CC(=O)C(Cl)C(C)C MCULE-2825069638 [0,2,0,0,0,0|1,0,0]=3 4567 B7R0.16 CC(=O)C(F)C(=O)C MCULE-4665621902 [0,2,0,0,0,0|1,0,1]=4 4568 B7R0.16 CC(=O)C(N)C(=O)C MCULE-6440496769 [0,2,0,0,0,0|1,0,1]=4 4569 B7R0.16 CC(=O)C(N)C(=O)C MCULE-8525737264 [0,2,0,0,0,0|1,0,1]=4 4570 B7R0.16 CC(=O)N(C)C(=O)C MCULE-6245493539 [0,2,0,0,0,0|1,0,1]=4 4571 B7R0.16 CC(Br)C(Br)C(=O)O MCULE-8605068480 [0,2,0,0,0,0|1,0,0]=3 4572 B7R0.16 CC(Br)C(O)C(=O)O MCULE-8231714451 [0,2,0,0,0,0|1,0,0]=3 4573 B7R0.16 CC(C(=O)Cl)C(=O)Cl MCULE-5269923120 [0,2,0,0,0,0|1,0,1]=4 4574 B7R0.16 CC(C(=O)N)C(=O)N MCULE-4912037399 [0,2,0,0,0,0|1,0,1]=4 4575 B7R0.16 CC(C(=O)O)C(=O)O MCULE-7232226851 [0,2,0,0,0,0|1,0,1]=4 4576 B7R0.16 CC(C(=O)O)N(C)C MCULE-2658921782 [0,2,0,0,0,0|1,0,0]=3 4577 B7R0.16 CC(C(=O)O)N(C)C MCULE-4457336101 [0,2,0,0,0,0|1,0,0]=3 4578 B7R0.16 CC(C(=O)O)N(C)N MCULE-1182323460 [0,2,0,0,0,0|1,0,0]=3 4579 B7R0.16 CC(C(=O)[O-])C(=O)[O-] MCULE-4632089491 [0,2,0,0,0,0|1,0,1]=4 4580 B7R0.16 CC(C(=O)[O-])C(=O)[O-] MCULE-8764180648 [0,2,0,0,0,0|1,0,1]=4 4581 B7R0.16 CC(C)C(=O)C(=O)Cl MCULE-6254092186 [0,2,0,0,0,0|1,0,1]=4 4582 B7R0.16 CC(C)C(=O)C(=O)O MCULE-9877767821 [0,2,0,0,0,0|1,0,1]=4 4583 B7R0.16 CC(C)C(=O)C(=O)[O-] MCULE-3960241746 [0,2,0,0,0,0|1,0,1]=4 4584 B7R0.16 CC(C)C(Br)C(=O)Br MCULE-7135511419 [0,2,0,0,0,0|1,0,0]=3 4585 B7R0.16 CC(C)C(Br)C(=O)Cl MCULE-7468132927 [0,2,0,0,0,0|1,0,0]=3 4586 B7R0.16 CC(C)C(Br)C(=O)N MCULE-8059032804 [0,2,0,0,0,0|1,0,0]=3 4587 B7R0.16 CC(C)C(Br)C(=O)O MCULE-7284929535 [0,2,0,0,0,0|1,0,0]=3 4588 B7R0.16 CC(C)C(Br)C(=O)O MCULE-8100016953 [0,2,0,0,0,0|1,0,0]=3 4589 B7R0.16 CC(C)C(C)C(=O)Cl MCULE-4466867108 [0,2,0,0,0,0|0,0,0]=2 4590 B7R0.16 CC(C)C(C)C(=O)O MCULE-4998524686 [0,2,0,0,0,0|0,0,0]=2 4591 B7R0.16 CC(C)C(C)C(C)C MCULE-2831761094 [0,2,0,0,0,0|1,0,1]=4 4592 B7R0.16 CC(C)C(Cl)C(=O)Cl MCULE-8764699774 [0,2,0,0,0,0|1,0,0]=3 4593 B7R0.16 CC(C)C(Cl)C(=O)O MCULE-8634615546 [0,2,0,0,0,0|1,0,0]=3 4594 B7R0.16 CC(C)C(F)C(=O)O MCULE-5644342535 [0,2,0,0,0,0|1,0,0]=3 4595 B7R0.16 CC(C)C(N)C(=O)N MCULE-5793065876 [0,2,0,0,0,0|1,0,0]=3 4596 B7R0.16 CC(C)C(N)C(=O)N MCULE-6836215171 [0,2,0,0,0,0|1,0,0]=3 4597 B7R0.16 CC(C)C(N)C(=O)O MCULE-8140660263 [0,2,0,0,0,0|1,0,0]=3 4598 B7R0.16 CC(C)C(N)C(=O)O MCULE-9199801639 [0,2,0,0,0,0|1,0,0]=3 4599 B7R0.16 CC(C)C(O)C(=O)O MCULE-6517225229 [0,2,0,0,0,0|1,0,0]=3 4600 B7R0.16 CC(C)C(O)C(=O)O MCULE-7748605101 [0,2,0,0,0,0|1,0,0]=3 4601 B7R0.16 CC(C)N(C)C(=O)Cl MCULE-1063482503 [0,2,0,0,0,0|1,0,0]=3 4602 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-2705531785 [0,2,0,0,0,0|1,0,0]=3 4603 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-7570119486 [0,2,0,0,0,0|1,0,0]=3 4604 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-2330575489 [0,2,0,0,0,0|1,0,0]=3 4605 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-2653474443 [0,2,0,0,0,0|1,0,0]=3 4606 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-3449326352 [0,2,0,0,0,0|1,0,0]=3 4607 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-7409435805 [0,2,0,0,0,0|1,0,0]=3 4608 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-1338052740 [0,2,0,0,0,0|1,0,0]=3 4609 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-2459930572 [0,2,0,0,0,0|1,0,0]=3 4610 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-7719048521 [0,2,0,0,0,0|1,0,0]=3 4611 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-9864796653 [0,2,0,0,0,0|1,0,0]=3 4612 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-4863317096 [0,2,0,0,0,0|1,0,0]=3 4613 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-8695526864 [0,2,0,0,0,0|1,0,0]=3 4614 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-4413397700 [0,2,0,0,0,0|0,0,0]=2 4615 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-6269612306 [0,2,0,0,0,0|0,0,0]=2 4616 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8084934210 [0,2,0,0,0,0|1,0,0]=3 4617 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8307595659 [0,2,0,0,0,0|1,0,0]=3 4618 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-1415573194 [0,2,0,0,0,0|1,0,0]=3 4619 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-2742126302 [0,2,0,0,0,0|1,0,0]=3 4620 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-3124084676 [0,2,0,0,0,0|1,0,0]=3 4621 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-4854272542 [0,2,0,0,0,0|1,0,0]=3 4622 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-7430998836 [0,2,0,0,0,0|1,0,0]=3 4623 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-9899853579 [0,2,0,0,0,0|1,0,0]=3 4624 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-2507309072 [0,2,0,0,0,0|1,0,0]=3 4625 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-9143825935 [0,2,0,0,0,0|1,0,0]=3 4626 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-1975771806 [0,2,0,0,0,0|1,0,0]=3 4627 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-4070611738 [0,2,0,0,0,0|1,0,0]=3 4628 B7R0.16 CC(F)C(N)C(=O)O MCULE-8810968604 [0,2,0,0,0,0|1,0,0]=3 4629 B7R0.16 CC(N)C(C)C(=O)O MCULE-2921617741 [0,2,0,0,0,0|0,0,0]=2 4630 B7R0.16 CC(N)C(C)C(=O)O MCULE-8511267926 [0,2,0,0,0,0|0,0,0]=2 4631 B7R0.16 CC(N)C(O)C(=O)O MCULE-1086139043 [0,2,0,0,0,0|1,0,0]=3 4632 B7R0.16 CC(N)C(O)C(=O)O MCULE-6405300346 [0,2,0,0,0,0|1,0,0]=3 4633 B7R0.16 CC(O)C(C)C(=O)O MCULE-2499360516 [0,2,0,0,0,0|0,0,0]=2 4634 B7R0.16 CC(O)C(C)N(=O)=O MCULE-8190257217 [0,2,0,0,0,0|1,0,0]=3 4635 B7R0.16 CC(O)C(N)C(=O)N MCULE-1234785834 [0,2,0,0,0,0|1,0,0]=3 4636 B7R0.16 CC(O)C(N)C(=O)N MCULE-5867306342 [0,2,0,0,0,0|1,0,0]=3 4637 B7R0.16 CC(O)C(N)C(=O)O MCULE-1563595722 [0,2,0,0,0,0|1,0,0]=3 4638 B7R0.16 CC(O)C(N)C(=O)O MCULE-5581920538 [0,2,0,0,0,0|1,0,0]=3 4639 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-1371350024 [0,2,0,0,0,0|1,0,0]=3 4640 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-2001661938 [0,2,0,0,0,0|1,0,0]=3 4641 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-6789128261 [0,2,0,0,0,0|1,0,0]=3 4642 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O MCULE-5302456851 [0,2,0,0,0,0|1,0,0]=3 4643 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-1663687439 [0,2,0,0,0,0|1,0,0]=3 4644 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-3863591433 [0,2,0,0,0,0|1,0,0]=3 4645 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-8080019797 [0,2,0,0,0,0|1,0,0]=3 4646 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-9284411012 [0,2,0,0,0,0|1,0,0]=3 4647 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-1969228933 [0,2,0,0,0,0|1,0,0]=3 4648 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-3285041526 [0,2,0,0,0,0|1,0,0]=3 4649 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-5018319528 [0,2,0,0,0,0|1,0,0]=3 4650 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-6080625355 [0,2,0,0,0,0|1,0,0]=3 4651 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9393787536 [0,2,0,0,0,0|1,0,0]=3 4652 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9925689829 [0,2,0,0,0,0|1,0,0]=3 4653 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2430667007 [0,2,0,0,0,0|1,0,0]=3 4654 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2676185993 [0,2,0,0,0,0|1,0,0]=3 4655 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5254477364 [0,2,0,0,0,0|1,0,0]=3 4656 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5505393195 [0,2,0,0,0,0|1,0,0]=3 4657 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-7379719940 [0,2,0,0,0,0|1,0,0]=3 4658 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O MCULE-9383777855 [0,2,0,0,0,0|1,0,0]=3 4659 B7R0.16 C[C@H](C(=O)N)N(C)C MCULE-1489374162 [0,2,0,0,0,0|1,0,0]=3 4660 B7R0.16 C[C@H](C(=O)N)N(C)C MCULE-7938995734 [0,2,0,0,0,0|1,0,0]=3 4661 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-2210848569 [0,2,0,0,0,0|1,0,0]=3 4662 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-5148086527 [0,2,0,0,0,0|1,0,0]=3 4663 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2245171795 [0,2,0,0,0,0|0,0,0]=2 4664 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2727261050 [0,2,0,0,0,0|0,0,0]=2 4665 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O MCULE-8875933839 [0,2,0,0,0,0|0,0,0]=2 4666 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O MCULE-9507122128 [0,2,0,0,0,0|1,0,0]=3 4667 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-2574349608 [0,2,0,0,0,0|1,0,0]=3 4668 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-6297204649 [0,2,0,0,0,0|1,0,0]=3 4669 B7R0.16 C[C@H](N)[C@H](N)C(=O)O MCULE-3178389621 [0,2,0,0,0,0|1,0,0]=3 4670 B7R0.16 C[C@H](O)C(N)C(=O)O MCULE-6661175670 [0,2,0,0,0,0|1,0,0]=3 4671 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-6288272506 [0,2,0,0,0,0|1,0,0]=3 4672 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-7203096302 [0,2,0,0,0,0|1,0,0]=3 4673 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-9531951265 [0,2,0,0,0,0|1,0,0]=3 4674 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-2246314901 [0,2,0,0,0,0|1,0,0]=3 4675 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-9478987169 [0,2,0,0,0,0|1,0,0]=3 4676 B7R0.16 O=C(O)C(O)C(F)F MCULE-6750020534 [0,2,0,0,0,0|2,0,0]=4 4677 B7R0.18 C#CC(N)(CC)CC MCULE-3723234977 [0,2,0,0,0,0|1,0,1]=4 4678 B7R0.18 C#CC(N)(CC)CC MCULE-5947266532 [0,2,0,0,0,0|1,0,1]=4 4679 B7R0.18 C#CC(O)(CC)CC MCULE-1187697687 [0,2,0,0,0,0|1,0,1]=4 4680 B7R0.18 C=CC(C)(CC)CO MCULE-3218490864 [0,2,0,0,0,0|1,0,0]=3 4681 B7R0.18 C=C[Si](C)(CC)CC MCULE-8298007601 [0,2,0,0,0,0|1,1,0]=4 4682 B7R0.18 CC(C=O)(CO)CO MCULE-2216366062 [0,2,0,0,0,0|1,0,0]=3 4683 B7R0.18 CCC(Br)(CC)CC MCULE-9712538049 [0,2,0,0,0,0|1,0,1]=4 4684 B7R0.18 CCC(C)(C#N)CC MCULE-4684442568 [0,2,0,0,0,0|1,0,1]=4 4685 B7R0.18 CCC(C)(C#N)NC MCULE-3991970200 [0,2,0,0,0,0|1,0,1]=4 4686 B7R0.18 CCC(C)(C#N)OC MCULE-9945000350 [0,2,0,0,0,0|1,0,1]=4 4687 B7R0.18 CCC(C)(C=O)CC MCULE-8427357130 [0,2,0,0,0,0|0,0,0]=2 4688 B7R0.18 CCC(C)(C=O)OC MCULE-8307303148 [0,2,0,0,0,0|0,0,0]=2 4689 B7R0.18 CCC(C)(CC)CC MCULE-8385527448 [0,2,0,0,0,0|1,0,1]=4 4690 B7R0.18 CCC(C)(CC)CN MCULE-8216748689 [0,2,0,0,0,0|1,0,1]=4 4691 B7R0.18 CCC(C)(CC)CN MCULE-8692148167 [0,2,0,0,0,0|1,0,1]=4 4692 B7R0.18 CCC(C)(CN)CO MCULE-2703250369 [0,2,0,0,0,0|0,0,2]=4 4693 B7R0.18 CCC(C)(CN)OC MCULE-4472544393 [0,2,0,0,0,0|1,0,1]=4 4694 B7R0.18 CCC(C)(CO)CO MCULE-6918244309 [0,2,0,0,0,0|0,0,2]=4 4695 B7R0.18 CCC(C)(CO)OC MCULE-2048434225 [0,2,0,0,0,0|0,0,2]=4 4696 B7R0.18 CCC(C)(OC)OC MCULE-5980704331 [0,2,0,0,0,0|2,0,0]=4 4697 B7R0.18 CCC(Cl)(CC)CC MCULE-7993319723 [0,2,0,0,0,0|1,0,1]=4 4698 B7R0.18 CCC(N)(C#N)CC MCULE-4136160537 [0,2,0,0,0,0|1,0,1]=4 4699 B7R0.18 CCC(N)(CC)CC MCULE-4252517795 [0,2,0,0,0,0|1,0,1]=4 4700 B7R0.18 CCC(N)(CC)CC MCULE-5828916987 [0,2,0,0,0,0|1,0,1]=4 4701 B7R0.18 CCC(N)(CC)CN MCULE-7290366649 [0,2,0,0,0,0|1,0,1]=4 4702 B7R0.18 CCC(N)(CC)CO MCULE-7822189565 [0,2,0,0,0,0|0,0,2]=4 4703 B7R0.18 CCC(N)(CO)CO MCULE-6627376273 [0,2,0,0,0,0|0,0,2]=4 4704 B7R0.18 CCC(O)(C#N)CC MCULE-8447790203 [0,2,0,0,0,0|1,0,1]=4 4705 B7R0.18 CCC(O)(CC)CC MCULE-8613720853 [0,2,0,0,0,0|1,0,1]=4 4706 B7R0.18 CCC(O)(CC)CN MCULE-7676729679 [0,2,0,0,0,0|1,0,1]=4 4707 B7R0.18 CCC(O)(CC)CO MCULE-5622837545 [0,2,0,0,0,0|0,0,2]=4 4708 B7R0.18 CCC(S)(CC)CC MCULE-7702941472 [0,2,0,0,0,0|1,0,1]=4 4709 B5R1.2 BrC1=CCC1 MCULE-7839710306 [1,0,0,1,0,0|1,0,1]=4 4710 B5R1.2 BrC1CCC1 MCULE-3713567804 [1,0,0,1,0,0|1,0,0]=3 4711 B5R1.2 BrC1CNC1 MCULE-4959282437 [1,0,0,1,0,0|2,0,0]=4 4712 B5R1.2 BrC1CNC1 MCULE-5635086924 [1,0,0,1,0,0|2,0,0]=4 4713 B5R1.2 BrC1CNC1 MCULE-7561312043 [1,0,0,1,0,0|2,0,0]=4 4714 B5R1.2 BrC1COC1 MCULE-7527620035 [1,0,0,1,0,0|2,0,0]=4 4715 B5R1.2 C=C1CCC1 MCULE-8318650413 [1,0,0,1,0,0|0,0,1]=3 4716 B5R1.2 C=C1CNC1 MCULE-1391021267 [1,0,0,1,0,0|1,0,1]=4 4717 B5R1.2 C=C1CNC1 MCULE-7957953185 [1,0,0,1,0,0|1,0,1]=4 4718 B5R1.2 C=C1COC1 MCULE-1822645869 [1,0,0,1,0,0|1,0,1]=4 4719 B5R1.2 CC1CCN1 MCULE-7952714343 [1,0,0,1,0,0|1,0,0]=3 4720 B5R1.2 CC1CCN1 MCULE-9084374728 [1,0,0,1,0,0|1,0,0]=3 4721 B5R1.2 CC1CNC1 MCULE-3977066574 [1,0,0,1,0,0|1,0,1]=4 4722 B5R1.2 CC1CNC1 MCULE-7868611457 [1,0,0,1,0,0|1,0,1]=4 4723 B5R1.2 C[C@@H]1CCN1 MCULE-1326888606 [1,0,0,1,0,0|1,0,0]=3 4724 B5R1.2 C[C@@H]1CCN1 MCULE-4242598105 [1,0,0,1,0,0|1,0,0]=3 4725 B5R1.2 C[C@@H]1CCN1 MCULE-7982357684 [1,0,0,1,0,0|1,0,0]=3 4726 B5R1.2 C[C@@H]1CCN1 MCULE-9443505478 [1,0,0,1,0,0|1,0,0]=3 4727 B5R1.2 C[C@H]1CCN1 MCULE-3178162849 [1,0,0,1,0,0|1,0,0]=3 4728 B5R1.2 C[C@H]1CCN1 MCULE-4001397038 [1,0,0,1,0,0|1,0,0]=3 4729 B5R1.2 C[C@H]1CCN1 MCULE-4361200248 [1,0,0,1,0,0|1,0,0]=3 4730 B5R1.2 C[C@H]1CCN1 MCULE-6534579029 [1,0,0,1,0,0|1,0,0]=3 4731 B5R1.2 ClC1CCC1 MCULE-2602937313 [1,0,0,1,0,0|1,0,0]=3 4732 B5R1.2 ClC1CNC1 MCULE-2051705029 [1,0,0,1,0,0|2,0,0]=4 4733 B5R1.2 ClC1CNC1 MCULE-6678325694 [1,0,0,1,0,0|2,0,0]=4 4734 B5R1.2 ClC1COC1 MCULE-7266812470 [1,0,0,1,0,0|2,0,0]=4 4735 B5R1.2 FC1CNC1 MCULE-5746598794 [1,0,0,1,0,0|2,0,0]=4 4736 B5R1.2 FC1CNC1 MCULE-9427948721 [1,0,0,1,0,0|2,0,0]=4 4737 B5R1.2 FC1COC1 MCULE-7899811313 [1,0,0,1,0,0|2,0,0]=4 4738 B5R1.2 IC1CCC1 MCULE-3890796264 [1,0,0,1,0,0|1,0,0]=3 4739 B5R1.2 IC1CNC1 MCULE-5957681014 [1,0,0,1,0,0|2,0,0]=4 4740 B5R1.2 IC1CNC1 MCULE-7396587981 [1,0,0,1,0,0|2,0,0]=4 4741 B5R1.2 IC1COC1 MCULE-6736781201 [1,0,0,1,0,0|2,0,0]=4 4742 B5R1.2 NC1CCC1 MCULE-7511834789 [1,0,0,1,0,0|1,0,0]=3 4743 B5R1.2 NC1CCC1 MCULE-9118406840 [1,0,0,1,0,0|1,0,0]=3 4744 B5R1.2 NC1CNC1 MCULE-3069271350 [1,0,0,1,0,0|2,0,0]=4 4745 B5R1.2 NC1CNC1 MCULE-4785323807 [1,0,0,1,0,0|2,0,0]=4 4746 B5R1.2 NC1COC1 MCULE-3457998413 [1,0,0,1,0,0|2,0,0]=4 4747 B5R1.2 NC1COC1 MCULE-8439862131 [1,0,0,1,0,0|2,0,0]=4 4748 B5R1.2 NC1CSC1 MCULE-8155396913 [1,0,0,1,0,0|2,0,0]=4 4749 B5R1.2 NC1CSC1 MCULE-8463545676 [1,0,0,1,0,0|2,0,0]=4 4750 B5R1.2 NC1CSC1 MCULE-8920812656 [1,0,0,1,0,0|2,0,0]=4 4751 B5R1.2 NN1CCC1 MCULE-8176731673 [1,0,0,1,0,0|2,0,0]=4 4752 B5R1.2 NN1CCC1 MCULE-8382619719 [1,0,0,1,0,0|2,0,0]=4 4753 B5R1.2 O=C1CCC1 MCULE-4870967355 [1,0,0,1,0,0|0,0,1]=3 4754 B5R1.2 O=C1CCN1 MCULE-9053067221 [1,0,0,1,0,0|1,0,1]=4 4755 B5R1.2 O=C1CCO1 MCULE-1277069147 [1,0,0,1,0,0|1,0,1]=4 4756 B5R1.2 O=C1CNC1 MCULE-5171659870 [1,0,0,1,0,0|1,0,1]=4 4757 B5R1.2 O=C1CNC1 MCULE-8293494956 [1,0,0,1,0,0|1,0,1]=4 4758 B5R1.2 O=C1COC1 MCULE-6847248632 [1,0,0,1,0,0|1,0,1]=4 4759 B5R1.2 O=C1CSC1 MCULE-4436071261 [1,0,0,1,0,0|1,0,1]=4 4760 B5R1.2 OC1CCC1 MCULE-2856311430 [1,0,0,1,0,0|0,0,1]=3 4761 B5R1.2 OC1CNC1 MCULE-3596383447 [1,0,0,1,0,0|1,0,1]=4 4762 B5R1.2 OC1CNC1 MCULE-7913518128 [1,0,0,1,0,0|1,0,1]=4 4763 B5R1.2 OC1COC1 MCULE-2630355859 [1,0,0,1,0,0|1,0,1]=4 4764 B5R1.2 OC1CSC1 MCULE-6759275460 [1,0,0,1,0,0|1,0,1]=4 4765 B5R1.2 SC1CCC1 MCULE-1779239394 [1,0,0,1,0,0|0,1,0]=3 4766 B5R1.2 SC1CNC1 MCULE-5823473779 [1,0,0,1,0,0|1,1,0]=4 4767 B5R1.2 SC1CNC1 MCULE-9002536698 [1,0,0,1,0,0|1,1,0]=4 4768 B5R1.2 SC1COC1 MCULE-2175099379 [1,0,0,1,0,0|1,1,0]=4 4769 B5R1.3 BrCC1CC1 MCULE-6057571576 [1,0,0,1,0,0|1,0,1]=4 4770 B5R1.3 BrCC1CO1 MCULE-1054784183 [1,0,0,1,0,0|1,0,1]=4 4771 B5R1.3 C#CC1CC1 MCULE-8413731516 [1,0,0,1,0,0|1,0,1]=4 4772 B5R1.3 C1(CO1)CCl MCULE-2239256431 [1,0,0,1,0,0|1,0,1]=4 4773 B5R1.3 C=CC1CC1 MCULE-4323158851 [1,0,0,1,0,0|1,0,0]=3 4774 B5R1.3 C=CC1CO1 MCULE-1428696186 [1,0,0,1,0,0|2,0,0]=4 4775 B5R1.3 CCC1CO1 MCULE-4316722229 [1,0,0,1,0,0|0,0,1]=3 4776 B5R1.3 CCC1CO1 MCULE-8341828978 [1,0,0,1,0,0|0,0,1]=3 4777 B5R1.3 CC[C@@H]1CO1 MCULE-4349820919 [1,0,0,1,0,0|0,0,1]=3 4778 B5R1.3 CC[C@@H]1CO1 MCULE-5929218989 [1,0,0,1,0,0|0,0,1]=3 4779 B5R1.3 CC[C@H]1CO1 MCULE-3647278168 [1,0,0,1,0,0|0,0,1]=3 4780 B5R1.3 CC[C@H]1CO1 MCULE-4369524443 [1,0,0,1,0,0|0,0,1]=3 4781 B5R1.3 CNC1CC1 MCULE-4055097650 [1,0,0,1,0,0|1,0,1]=4 4782 B5R1.3 CNC1CC1 MCULE-8040280524 [1,0,0,1,0,0|1,0,1]=4 4783 B5R1.3 ClCC1CC1 MCULE-3906493674 [1,0,0,1,0,0|1,0,1]=4 4784 B5R1.3 ClCC1CO1 MCULE-9759519789 [1,0,0,1,0,0|1,0,1]=4 4785 B5R1.3 ClCC1CS1 MCULE-7368175691 [1,0,0,1,0,0|1,1,0]=4 4786 B5R1.3 ClC[C@@H]1CO1 MCULE-8144448889 [1,0,0,1,0,0|1,0,1]=4 4787 B5R1.3 ClC[C@@H]1CO1 MCULE-8710235870 [1,0,0,1,0,0|1,0,1]=4 4788 B5R1.3 ClC[C@H]1CO1 MCULE-2316124162 [1,0,0,1,0,0|1,0,1]=4 4789 B5R1.3 ClC[C@H]1CO1 MCULE-6957304600 [1,0,0,1,0,0|1,0,1]=4 4790 B5R1.3 FCC1CO1 MCULE-6156138745 [1,0,0,1,0,0|1,0,1]=4 4791 B5R1.3 FC[C@@H]1CO1 MCULE-7477932707 [1,0,0,1,0,0|1,0,1]=4 4792 B5R1.3 FNC1CC1 MCULE-4155496114 [1,0,0,1,0,0|2,0,0]=4 4793 B5R1.3 ICC1CC1 MCULE-2390979991 [1,0,0,1,0,0|1,0,1]=4 4794 B5R1.3 ICC1CO1 MCULE-6993621560 [1,0,0,1,0,0|1,0,1]=4 4795 B5R1.3 N#CC1CC1 MCULE-1838359731 [1,0,0,1,0,0|1,0,1]=4 4796 B5R1.3 NCC1CC1 MCULE-5832294538 [1,0,0,1,0,0|1,0,1]=4 4797 B5R1.3 NCC1CC1 MCULE-9914994928 [1,0,0,1,0,0|1,0,1]=4 4798 B5R1.3 NNC1CC1 MCULE-3522729516 [1,0,0,1,0,0|2,0,0]=4 4799 B5R1.3 NNC1CC1 MCULE-7121199703 [1,0,0,1,0,0|2,0,0]=4 4800 B5R1.3 NNC1CC1 MCULE-8598538666 [1,0,0,1,0,0|2,0,0]=4 4801 B5R1.3 NOC1CC1 MCULE-5379816123 [1,0,0,1,0,0|2,0,0]=4 4802 B5R1.3 O=CC1CC1 MCULE-9773190262 [1,0,0,1,0,0|0,0,0]=2 4803 B5R1.3 OCC1CC1 MCULE-4492474357 [1,0,0,1,0,0|0,0,2]=4 4804 B5R1.3 OCC1CO1 MCULE-2158628585 [1,0,0,1,0,0|1,0,1]=4 4805 B5R1.3 OCC1CO1 MCULE-4063620133 [1,0,0,1,0,0|1,0,1]=4 4806 B5R1.3 OC[C@@H]1CO1 MCULE-4213198809 [1,0,0,1,0,0|1,0,1]=4 4807 B5R1.3 OC[C@@H]1CO1 MCULE-6922911793 [1,0,0,1,0,0|1,0,1]=4 4808 B5R1.3 OC[C@H]1CO1 MCULE-2018407404 [1,0,0,1,0,0|1,0,1]=4 4809 B5R1.3 OC[C@H]1CO1 MCULE-9773081927 [1,0,0,1,0,0|1,0,1]=4 4810 B5R1.3 SCC1CC1 MCULE-9557919804 [1,0,0,1,0,0|0,1,1]=4 4811 B5R1.3 [C@@H]1(CO1)C=C MCULE-9776744095 [1,0,0,1,0,0|2,0,0]=4 4812 B5R1.3 [C@H]1(CO1)C=C MCULE-7934901088 [1,0,0,1,0,0|2,0,0]=4 4813 B5R1.4 CC1CC1N MCULE-4472318973 [1,0,0,1,0,0|1,0,0]=3 4814 B5R1.4 CC1CC1N MCULE-8037315228 [1,0,0,1,0,0|1,0,0]=3 4815 B5R1.4 CC1CC1O MCULE-2006758475 [1,0,0,1,0,0|0,0,1]=3 4816 B5R1.4 CC1OC1C MCULE-9780363671 [1,0,0,1,0,0|0,0,1]=3 4817 B5R1.4 C[C@@H]1C[C@@H]1N MCULE-6282896395 [1,0,0,1,0,0|1,0,0]=3 4818 B5R1.4 C[C@@H]1C[C@H]1N MCULE-1526017761 [1,0,0,1,0,0|1,0,0]=3 4819 B5R1.4 C[C@@H]1C[C@H]1N MCULE-7111745511 [1,0,0,1,0,0|1,0,0]=3 4820 B5R1.4 C[C@@H]1C[C@H]1N MCULE-7879046644 [1,0,0,1,0,0|1,0,0]=3 4821 B5R1.4 C[C@@H]1C[C@H]1N MCULE-9805986423 [1,0,0,1,0,0|1,0,0]=3 4822 B5R1.4 C[C@@H]1O[C@@H]1C MCULE-4355544092 [1,0,0,1,0,0|0,0,1]=3 4823 B5R1.4 C[C@@H]1O[C@H]1C MCULE-1930253682 [1,0,0,1,0,0|0,0,1]=3 4824 B5R1.4 C[C@H]1C[C@@H]1N MCULE-9525222696 [1,0,0,1,0,0|1,0,0]=3 4825 B5R1.4 C[C@H]1C[C@@H]1N MCULE-9658987958 [1,0,0,1,0,0|1,0,0]=3 4826 B5R1.4 C[C@H]1C[C@H]1N MCULE-4953477750 [1,0,0,1,0,0|1,0,0]=3 4827 B5R1.4 C[C@H]1C[C@H]1N MCULE-6429810931 [1,0,0,1,0,0|1,0,0]=3 4828 B5R1.4 C[C@H]1O[C@@H]1C MCULE-4354089942 [1,0,0,1,0,0|0,0,1]=3 4829 B5R1.4 C[C@H]1O[C@@H]1C MCULE-7982793342 [1,0,0,1,0,0|0,0,1]=3 4830 B5R1.4 FC1CC1Br MCULE-9881614971 [1,0,0,1,0,0|2,0,0]=4 4831 B5R1.4 NC1CC1F MCULE-8246845073 [1,0,0,1,0,0|2,0,0]=4 4832 B5R1.4 NC1CC1F MCULE-9705431616 [1,0,0,1,0,0|2,0,0]=4 4833 B5R1.4 NC1CC1N MCULE-2596247889 [1,0,0,1,0,0|2,0,0]=4 4834 B5R1.4 NC1CC1N MCULE-7859500244 [1,0,0,1,0,0|2,0,0]=4 4835 B5R1.4 NC1CC1O MCULE-2677451452 [1,0,0,1,0,0|1,0,1]=4 4836 B5R1.4 NC1CC1O MCULE-2909581707 [1,0,0,1,0,0|1,0,1]=4 4837 B5R1.4 NC1C[C@@H]1F MCULE-6104198419 [1,0,0,1,0,0|2,0,0]=4 4838 B5R1.4 NC1C[C@@H]1F MCULE-8327037761 [1,0,0,1,0,0|2,0,0]=4 4839 B5R1.4 N[C@@H]1C[C@@H]1F MCULE-1523759808 [1,0,0,1,0,0|2,0,0]=4 4840 B5R1.4 N[C@@H]1C[C@@H]1F MCULE-1966857090 [1,0,0,1,0,0|2,0,0]=4 4841 B5R1.4 N[C@@H]1C[C@@H]1F MCULE-3541599795 [1,0,0,1,0,0|2,0,0]=4 4842 B5R1.4 N[C@@H]1C[C@@H]1F MCULE-8279324103 [1,0,0,1,0,0|2,0,0]=4 4843 B5R1.4 N[C@@H]1C[C@@H]1O MCULE-1950197706 [1,0,0,1,0,0|1,0,1]=4 4844 B5R1.4 N[C@@H]1C[C@H]1F MCULE-1379839035 [1,0,0,1,0,0|2,0,0]=4 4845 B5R1.4 N[C@@H]1C[C@H]1F MCULE-7084330140 [1,0,0,1,0,0|2,0,0]=4 4846 B5R1.4 N[C@@H]1C[C@H]1F MCULE-7552076798 [1,0,0,1,0,0|2,0,0]=4 4847 B5R1.4 N[C@@H]1C[C@H]1F MCULE-7897288338 [1,0,0,1,0,0|2,0,0]=4 4848 B5R1.4 N[C@@H]1C[C@H]1N MCULE-3447984641 [1,0,0,1,0,0|2,0,0]=4 4849 B5R1.4 N[C@@H]1C[C@H]1N MCULE-6823903337 [1,0,0,1,0,0|2,0,0]=4 4850 B5R1.4 N[C@@H]1C[C@H]1N MCULE-7464483331 [1,0,0,1,0,0|2,0,0]=4 4851 B5R1.4 N[C@@H]1C[C@H]1N MCULE-8962336863 [1,0,0,1,0,0|2,0,0]=4 4852 B5R1.4 N[C@@H]1C[C@H]1O MCULE-5188790849 [1,0,0,1,0,0|1,0,1]=4 4853 B5R1.4 N[C@@H]1C[C@H]1O MCULE-8531829585 [1,0,0,1,0,0|1,0,1]=4 4854 B5R1.4 N[C@H]1C[C@@H]1F MCULE-2098980306 [1,0,0,1,0,0|2,0,0]=4 4855 B5R1.4 N[C@H]1C[C@@H]1F MCULE-4142129455 [1,0,0,1,0,0|2,0,0]=4 4856 B5R1.4 N[C@H]1C[C@@H]1F MCULE-8616633135 [1,0,0,1,0,0|2,0,0]=4 4857 B5R1.4 N[C@H]1C[C@@H]1F MCULE-8788279695 [1,0,0,1,0,0|2,0,0]=4 4858 B5R1.4 N[C@H]1C[C@@H]1N MCULE-3374448650 [1,0,0,1,0,0|2,0,0]=4 4859 B5R1.4 N[C@H]1C[C@@H]1N MCULE-3782038729 [1,0,0,1,0,0|2,0,0]=4 4860 B5R1.4 N[C@H]1C[C@@H]1N MCULE-7583094160 [1,0,0,1,0,0|2,0,0]=4 4861 B5R1.4 N[C@H]1C[C@@H]1O MCULE-4699241997 [1,0,0,1,0,0|1,0,1]=4 4862 B5R1.4 N[C@H]1C[C@H]1F MCULE-1665232627 [1,0,0,1,0,0|2,0,0]=4 4863 B5R1.4 N[C@H]1C[C@H]1F MCULE-1941678287 [1,0,0,1,0,0|2,0,0]=4 4864 B5R1.4 N[C@H]1C[C@H]1F MCULE-3275343851 [1,0,0,1,0,0|2,0,0]=4 4865 B5R1.4 N[C@H]1C[C@H]1F MCULE-5308534229 [1,0,0,1,0,0|2,0,0]=4 4866 B5R1.4 N[C@H]1C[C@H]1N MCULE-1426528738 [1,0,0,1,0,0|2,0,0]=4 4867 B5R1.4 N[C@H]1C[C@H]1N MCULE-6003446819 [1,0,0,1,0,0|2,0,0]=4 4868 B5R1.4 N[C@H]1C[C@H]1O MCULE-3609246488 [1,0,0,1,0,0|1,0,1]=4 4869 B5R1.4 N[C@H]1C[C@H]1O MCULE-3860963329 [1,0,0,1,0,0|1,0,1]=4 4870 B5R1.4 [C@@H]1(C[C@H]1N)F MCULE-5118118569 [1,0,0,1,0,0|2,0,0]=4 4871 B5R1.4 [C@H]1(C[C@H]1F)N MCULE-1071128348 [1,0,0,1,0,0|2,0,0]=4 4872 B5R1.4 [C@H]1(C[C@H]1F)N MCULE-8956631145 [1,0,0,1,0,0|2,0,0]=4 4873 B5R1.5 CC1(CC1)Br MCULE-7741990197 [1,0,0,1,0,0|1,0,0]=3 4874 B5R1.5 CC1(CC1)N MCULE-5669720871 [1,0,0,1,0,0|1,0,0]=3 4875 B5R1.5 CC1(CC1)N MCULE-6964629714 [1,0,0,1,0,0|1,0,0]=3 4876 B5R1.5 CC1(CC1)O MCULE-8472680145 [1,0,0,1,0,0|0,0,1]=3 4877 B5R1.5 CC1(CN1)C MCULE-8452595493 [1,0,0,1,0,0|1,0,1]=4 4878 B5R1.5 CC1(CO1)C MCULE-4247049920 [1,0,0,1,0,0|0,0,2]=4 4879 B5R1.5 CC1(CS1)C MCULE-7579931452 [1,0,0,1,0,0|0,1,1]=4 4880 B5R1.5 ClC1(CC1)Cl MCULE-1245940379 [1,0,0,1,0,0|2,0,0]=4 4881 B5R1.5 NC1(CC1)O MCULE-6134507215 [1,0,0,1,0,0|1,0,1]=4 4882 B5R1.5 NC1(CC1)O MCULE-9233065159 [1,0,0,1,0,0|1,0,1]=4 4883 B5R1.5 O=S1(=O)CC1 MCULE-3660879908 [1,0,0,1,0,0|2,0,0]=4 4884 B5R1.1 C1=CCCC1 MCULE-8785635218 [1,0,0,1,0,0|1,0,0]=3 4885 B5R1.1 C1=CCNC1 MCULE-4645888757 [1,0,0,1,0,0|2,0,0]=4 4886 B5R1.1 C1=CCNC1 MCULE-7386427096 [1,0,0,1,0,0|2,0,0]=4 4887 B5R1.1 C1=CCOC1 MCULE-1252378718 [1,0,0,1,0,0|2,0,0]=4 4888 B5R1.1 C1=CCSC1 MCULE-7848219599 [1,0,0,1,0,0|2,0,0]=4 4889 B5R1.1 C1=COCC1 MCULE-7714726225 [1,0,0,1,0,0|0,0,2]=4 4890 B5R1.1 C1=NCCN1 MCULE-6281004177 [1,0,0,1,0,0|2,0,0]=4 4891 B5R1.1 C1=NNCC1 MCULE-2270087414 [1,0,0,1,0,0|2,0,0]=4 4892 B5R1.1 C1CCNC1 MCULE-2816679267 [1,0,0,1,0,0|1,0,1]=4 4893 B5R1.1 C1CCNC1 MCULE-8439725600 [1,0,0,1,0,0|1,0,1]=4 4894 B5R1.1 C1CCNC1 MCULE-8653165010 [1,0,0,1,0,0|1,0,1]=4 4895 B5R1.1 C1CCNC1 MCULE-9053007443 [1,0,0,1,0,0|1,0,1]=4 4896 B5R1.1 C1CCOC1 MCULE-3873245085 [1,0,0,1,0,0|0,0,2]=4 4897 B5R1.1 C1CCSC1 MCULE-4519380555 [1,0,0,1,0,0|0,1,1]=4 4898 B5R1.1 C1CNNC1 MCULE-9192384720 [1,0,0,1,0,0|2,0,0]=4 4899 B5R1.1 C1CNNC1 MCULE-9418244562 [1,0,0,1,0,0|2,0,0]=4 4900 B5R1.1 C1CNOC1 MCULE-3922840312 [1,0,0,1,0,0|1,0,1]=4 4901 B5R1.1 C1CNOC1 MCULE-6084499894 [1,0,0,1,0,0|1,0,1]=4 4902 B7R1.1 BrCC1=CCCC1 MCULE-9208619526 [0,1,0,1,0,0|1,0,1]=4 4903 B7R1.1 BrCC1C=CCC1 MCULE-4270104932 [0,1,0,1,0,0|1,0,0]=3 4904 B7R1.1 BrCC1CC=CC1 MCULE-8694814510 [0,1,0,1,0,0|2,0,0]=4 4905 B7R1.1 BrCC1CCCC1 MCULE-2472505847 [0,1,0,1,0,0|1,0,1]=4 4906 B7R1.1 BrCC1CCCN1 MCULE-2152950124 [0,1,0,1,0,0|1,0,1]=4 4907 B7R1.1 BrCC1CCCN1 MCULE-6083580584 [0,1,0,1,0,0|1,0,1]=4 4908 B7R1.1 BrCC1CCCN1 MCULE-8116807965 [0,1,0,1,0,0|1,0,1]=4 4909 B7R1.1 BrCC1CCCO1 MCULE-6801721633 [0,1,0,1,0,0|1,0,1]=4 4910 B7R1.1 BrCC1CCNC1 MCULE-3841325509 [0,1,0,1,0,0|1,0,1]=4 4911 B7R1.1 BrCC1CCNC1 MCULE-4302321173 [0,1,0,1,0,0|1,0,1]=4 4912 B7R1.1 BrCC1CCNC1 MCULE-7802125485 [0,1,0,1,0,0|1,0,1]=4 4913 B7R1.1 BrCC1CCOC1 MCULE-5109533414 [0,1,0,1,0,0|0,0,2]=4 4914 B7R1.1 BrC[C@@H]1CCCN1 MCULE-2609238545 [0,1,0,1,0,0|1,0,1]=4 4915 B7R1.1 BrC[C@@H]1CCCN1 MCULE-4300877722 [0,1,0,1,0,0|1,0,1]=4 4916 B7R1.1 BrC[C@@H]1CCCN1 MCULE-7501559292 [0,1,0,1,0,0|1,0,1]=4 4917 B7R1.1 BrC[C@@H]1CCCN1 MCULE-9528927495 [0,1,0,1,0,0|1,0,1]=4 4918 B7R1.1 BrC[C@H]1CCCO1 MCULE-3468061610 [0,1,0,1,0,0|1,0,1]=4 4919 B7R1.1 BrC[C@H]1CCCO1 MCULE-9305844681 [0,1,0,1,0,0|1,0,1]=4 4920 B7R1.1 BrC[C@H]1CCOC1 MCULE-3326059942 [0,1,0,1,0,0|0,0,2]=4 4921 B7R1.1 C#CC1CCCC1 MCULE-2058689962 [0,1,0,1,0,0|1,0,1]=4 4922 B7R1.1 C#CC1CCCN1 MCULE-2312235714 [0,1,0,1,0,0|1,0,1]=4 4923 B7R1.1 C#CC1CCCN1 MCULE-2368649911 [0,1,0,1,0,0|1,0,1]=4 4924 B7R1.1 C#CC1CCCO1 MCULE-5501627253 [0,1,0,1,0,0|1,0,1]=4 4925 B7R1.1 C#CC1CCNC1 MCULE-5702093443 [0,1,0,1,0,0|1,0,1]=4 4926 B7R1.1 C#CC1CCNC1 MCULE-8837025112 [0,1,0,1,0,0|1,0,1]=4 4927 B7R1.1 C#CC1CCOC1 MCULE-6007232344 [0,1,0,1,0,0|1,0,1]=4 4928 B7R1.1 C#C[C@@H]1CCCN1 MCULE-1635908608 [0,1,0,1,0,0|1,0,1]=4 4929 B7R1.1 C#C[C@@H]1CCCN1 MCULE-4766446168 [0,1,0,1,0,0|1,0,1]=4 4930 B7R1.1 C#C[C@@H]1CCCN1 MCULE-7265052825 [0,1,0,1,0,0|1,0,1]=4 4931 B7R1.1 C#C[C@@H]1CCCN1 MCULE-8496158135 [0,1,0,1,0,0|1,0,1]=4 4932 B7R1.1 C#C[C@H]1CCCN1 MCULE-1874586489 [0,1,0,1,0,0|1,0,1]=4 4933 B7R1.1 C#C[C@H]1CCCN1 MCULE-8338634355 [0,1,0,1,0,0|1,0,1]=4 4934 B7R1.1 C1(CCCN1)CF MCULE-2705678622 [0,1,0,1,0,0|1,0,1]=4 4935 B7R1.1 C1(CCCN1)CF MCULE-3175080744 [0,1,0,1,0,0|1,0,1]=4 4936 B7R1.1 C1(CCCN1)CN MCULE-3568349121 [0,1,0,1,0,0|1,0,1]=4 4937 B7R1.1 C1(CCCN1)CN MCULE-9944820727 [0,1,0,1,0,0|1,0,1]=4 4938 B7R1.1 C1(CCCN1)CO MCULE-7277085817 [0,1,0,1,0,0|0,0,2]=4 4939 B7R1.1 C1(CCNC1)CC MCULE-1733412139 [0,1,0,1,0,0|1,0,1]=4 4940 B7R1.1 C1(CCNC1)CC MCULE-9295480110 [0,1,0,1,0,0|1,0,1]=4 4941 B7R1.1 C1(CCNC1)CO MCULE-7897000858 [0,1,0,1,0,0|0,0,2]=4 4942 B7R1.1 C1(CCNC1)CO MCULE-9939548436 [0,1,0,1,0,0|0,0,2]=4 4943 B7R1.1 C1(CCNC1)OC MCULE-4107032989 [0,1,0,1,0,0|1,0,1]=4 4944 B7R1.1 C1(CCNC1)OC MCULE-7879953493 [0,1,0,1,0,0|1,0,1]=4 4945 B7R1.1 C1(CCOC1)CN MCULE-1674920995 [0,1,0,1,0,0|0,0,2]=4 4946 B7R1.1 C1(CCOC1)CN MCULE-9715233219 [0,1,0,1,0,0|0,0,2]=4 4947 B7R1.1 C1(CCOC1)CO MCULE-2350780678 [0,1,0,1,0,0|0,0,2]=4 4948 B7R1.1 C1(CCOC1)NC MCULE-8636753374 [0,1,0,1,0,0|0,0,2]=4 4949 B7R1.1 C=CC1CCCC1 MCULE-6144532155 [0,1,0,1,0,0|1,0,0]=3 4950 B7R1.1 C=CC1CCCN1 MCULE-5736974496 [0,1,0,1,0,0|1,0,0]=3 4951 B7R1.1 C=CC1CCCN1 MCULE-7626074228 [0,1,0,1,0,0|1,0,0]=3 4952 B7R1.1 C=CC1CCNC1 MCULE-7703785367 [0,1,0,1,0,0|1,0,0]=3 4953 B7R1.1 CC=C1CCCC1 MCULE-9763131004 [0,1,0,1,0,0|1,0,1]=4 4954 B7R1.1 CC=C1CCNC1 MCULE-9077980338 [0,1,0,1,0,0|1,0,1]=4 4955 B7R1.1 CC=C1CCNC1 MCULE-9519724391 [0,1,0,1,0,0|1,0,1]=4 4956 B7R1.1 CCC1=CCCC1 MCULE-5154730597 [0,1,0,1,0,0|1,0,1]=4 4957 B7R1.1 CCC1C=CCN1 MCULE-4549893906 [0,1,0,1,0,0|1,0,0]=3 4958 B7R1.1 CCC1C=CCN1 MCULE-7209552603 [0,1,0,1,0,0|1,0,0]=3 4959 B7R1.1 CCC1CCCC1 MCULE-1974854934 [0,1,0,1,0,0|1,0,1]=4 4960 B7R1.1 CCC1CCCN1 MCULE-1775351089 [0,1,0,1,0,0|1,0,1]=4 4961 B7R1.1 CCC1CCCN1 MCULE-2065682250 [0,1,0,1,0,0|1,0,1]=4 4962 B7R1.1 CCC1CCCN1 MCULE-8326168982 [0,1,0,1,0,0|1,0,1]=4 4963 B7R1.1 CCC1CCCN1 MCULE-9831560442 [0,1,0,1,0,0|1,0,1]=4 4964 B7R1.1 CCC1CCNC1 MCULE-1558031098 [0,1,0,1,0,0|1,0,1]=4 4965 B7R1.1 CCC1CCNC1 MCULE-1877930466 [0,1,0,1,0,0|1,0,1]=4 4966 B7R1.1 CCC1OCCO1 MCULE-3434568584 [0,1,0,1,0,0|2,0,0]=4 4967 B7R1.1 CC[C@@H]1CCCN1 MCULE-1829706908 [0,1,0,1,0,0|1,0,1]=4 4968 B7R1.1 CC[C@@H]1CCCN1 MCULE-6310895621 [0,1,0,1,0,0|1,0,1]=4 4969 B7R1.1 CC[C@@H]1CCCN1 MCULE-6770634475 [0,1,0,1,0,0|1,0,1]=4 4970 B7R1.1 CC[C@@H]1CCCN1 MCULE-9259891597 [0,1,0,1,0,0|1,0,1]=4 4971 B7R1.1 CC[C@@H]1CCNC1 MCULE-1468303255 [0,1,0,1,0,0|1,0,1]=4 4972 B7R1.1 CC[C@@H]1CCNC1 MCULE-2434021547 [0,1,0,1,0,0|1,0,1]=4 4973 B7R1.1 CC[C@@H]1CCNC1 MCULE-4288710106 [0,1,0,1,0,0|1,0,1]=4 4974 B7R1.1 CC[C@@H]1CCNC1 MCULE-5295271815 [0,1,0,1,0,0|1,0,1]=4 4975 B7R1.1 CC[C@H]1CCCN1 MCULE-2347458277 [0,1,0,1,0,0|1,0,1]=4 4976 B7R1.1 CC[C@H]1CCCN1 MCULE-3796565634 [0,1,0,1,0,0|1,0,1]=4 4977 B7R1.1 CC[C@H]1CCCN1 MCULE-6193768639 [0,1,0,1,0,0|1,0,1]=4 4978 B7R1.1 CC[C@H]1CCCN1 MCULE-9679619003 [0,1,0,1,0,0|1,0,1]=4 4979 B7R1.1 CC[C@H]1CCNC1 MCULE-5122116015 [0,1,0,1,0,0|1,0,1]=4 4980 B7R1.1 CC[C@H]1CCNC1 MCULE-5302237772 [0,1,0,1,0,0|1,0,1]=4 4981 B7R1.1 CC[C@H]1CCNC1 MCULE-9447387540 [0,1,0,1,0,0|1,0,1]=4 4982 B7R1.1 CC[C@H]1CCNC1 MCULE-9743799071 [0,1,0,1,0,0|1,0,1]=4 4983 B7R1.1 CNC1CCCC1 MCULE-1391832163 [0,1,0,1,0,0|1,0,1]=4 4984 B7R1.1 CNC1CCCC1 MCULE-8242451793 [0,1,0,1,0,0|1,0,1]=4 4985 B7R1.1 CNC1CCNC1 MCULE-5544853841 [0,1,0,1,0,0|1,0,1]=4 4986 B7R1.1 CNC1CCNC1 MCULE-9402107922 [0,1,0,1,0,0|1,0,1]=4 4987 B7R1.1 CNC1CCOC1 MCULE-5628928593 [0,1,0,1,0,0|0,0,2]=4 4988 B7R1.1 CNC1CCOC1 MCULE-7465078745 [0,1,0,1,0,0|0,0,2]=4 4989 B7R1.1 CNC1CCOC1 MCULE-8928979869 [0,1,0,1,0,0|0,0,2]=4 4990 B7R1.1 CNC1CCSC1 MCULE-1603222229 [0,1,0,1,0,0|0,1,1]=4 4991 B7R1.1 CNC1CCSC1 MCULE-5376977039 [0,1,0,1,0,0|0,1,1]=4 4992 B7R1.1 CNC1CCSC1 MCULE-9789640029 [0,1,0,1,0,0|0,1,1]=4 4993 B7R1.1 CN[C@@H]1CCNC1 MCULE-1090651309 [0,1,0,1,0,0|1,0,1]=4 4994 B7R1.1 CN[C@@H]1CCNC1 MCULE-6088625234 [0,1,0,1,0,0|1,0,1]=4 4995 B7R1.1 CN[C@@H]1CCNC1 MCULE-8530771803 [0,1,0,1,0,0|1,0,1]=4 4996 B7R1.1 CN[C@@H]1CCNC1 MCULE-9769572717 [0,1,0,1,0,0|1,0,1]=4 4997 B7R1.1 CN[C@@H]1CCOC1 MCULE-2275496757 [0,1,0,1,0,0|0,0,2]=4 4998 B7R1.1 CN[C@@H]1CCOC1 MCULE-4479731635 [0,1,0,1,0,0|0,0,2]=4 4999 B7R1.1 CN[C@@H]1CCOC1 MCULE-4936509842 [0,1,0,1,0,0|0,0,2]=4 5000 B7R1.1 CN[C@@H]1CCOC1 MCULE-7543653230 [0,1,0,1,0,0|0,0,2]=4 5001 B7R1.1 CN[C@H]1CCNC1 MCULE-3142856248 [0,1,0,1,0,0|1,0,1]=4 5002 B7R1.1 CN[C@H]1CCNC1 MCULE-7615640017 [0,1,0,1,0,0|1,0,1]=4 5003 B7R1.1 CN[C@H]1CCNC1 MCULE-9192229718 [0,1,0,1,0,0|1,0,1]=4 5004 B7R1.1 CN[C@H]1CCOC1 MCULE-3884907072 [0,1,0,1,0,0|0,0,2]=4 5005 B7R1.1 CN[C@H]1CCOC1 MCULE-5671082057 [0,1,0,1,0,0|0,0,2]=4 5006 B7R1.1 CN[C@H]1CCOC1 MCULE-7223789451 [0,1,0,1,0,0|0,0,2]=4 5007 B7R1.1 CN[C@H]1CCOC1 MCULE-7903690510 [0,1,0,1,0,0|0,0,2]=4 5008 B7R1.1 COC1=CCCC1 MCULE-6260649761 [0,1,0,1,0,0|1,0,1]=4 5009 B7R1.1 COC1CC=CC1 MCULE-3537302351 [0,1,0,1,0,0|2,0,0]=4 5010 B7R1.1 COC1CCCC1 MCULE-7539347010 [0,1,0,1,0,0|1,0,1]=4 5011 B7R1.1 COC1CCCO1 MCULE-8363423240 [0,1,0,1,0,0|2,0,0]=4 5012 B7R1.1 COC1CCNC1 MCULE-1194889067 [0,1,0,1,0,0|1,0,1]=4 5013 B7R1.1 COC1CCNC1 MCULE-2551543855 [0,1,0,1,0,0|1,0,1]=4 5014 B7R1.1 CO[C@@H]1CCNC1 MCULE-1457133388 [0,1,0,1,0,0|1,0,1]=4 5015 B7R1.1 CO[C@@H]1CCNC1 MCULE-5592053485 [0,1,0,1,0,0|1,0,1]=4 5016 B7R1.1 CO[C@@H]1CCNC1 MCULE-9586958523 [0,1,0,1,0,0|1,0,1]=4 5017 B7R1.1 CO[C@@H]1CCNC1 MCULE-9627985971 [0,1,0,1,0,0|1,0,1]=4 5018 B7R1.1 CO[C@H]1CCNC1 MCULE-4011037765 [0,1,0,1,0,0|1,0,1]=4 5019 B7R1.1 CO[C@H]1CCNC1 MCULE-6371005292 [0,1,0,1,0,0|1,0,1]=4 5020 B7R1.1 CO[C@H]1CCNC1 MCULE-6820243921 [0,1,0,1,0,0|1,0,1]=4 5021 B7R1.1 CO[C@H]1CCNC1 MCULE-9345557765 [0,1,0,1,0,0|1,0,1]=4 5022 B7R1.1 CSC1CCNC1 MCULE-8160363271 [0,1,0,1,0,0|1,0,1]=4 5023 B7R1.1 CSC1CCNC1 MCULE-8993526132 [0,1,0,1,0,0|1,0,1]=4 5024 B7R1.1 CS[C@@H]1CCNC1 MCULE-5068595479 [0,1,0,1,0,0|1,0,1]=4 5025 B7R1.1 CS[C@@H]1CCNC1 MCULE-7615711516 [0,1,0,1,0,0|1,0,1]=4 5026 B7R1.1 CS[C@@H]1CCNC1 MCULE-8265640185 [0,1,0,1,0,0|1,0,1]=4 5027 B7R1.1 CS[C@@H]1CCNC1 MCULE-9548332479 [0,1,0,1,0,0|1,0,1]=4 5028 B7R1.1 ClCC1CCCC1 MCULE-7652893931 [0,1,0,1,0,0|1,0,1]=4 5029 B7R1.1 ClCC1CCCN1 MCULE-3656101962 [0,1,0,1,0,0|1,0,1]=4 5030 B7R1.1 ClCC1CCCN1 MCULE-9792407426 [0,1,0,1,0,0|1,0,1]=4 5031 B7R1.1 ClCC1CCCO1 MCULE-9816764842 [0,1,0,1,0,0|1,0,1]=4 5032 B7R1.1 ClCC1CCNC1 MCULE-3647066500 [0,1,0,1,0,0|1,0,1]=4 5033 B7R1.1 ClCC1CCNC1 MCULE-4046034551 [0,1,0,1,0,0|1,0,1]=4 5034 B7R1.1 ClCC1CCOC1 MCULE-1203835826 [0,1,0,1,0,0|0,0,2]=4 5035 B7R1.1 ClC[C@@H]1CCCN1 MCULE-1712418178 [0,1,0,1,0,0|1,0,1]=4 5036 B7R1.1 ClC[C@@H]1CCCN1 MCULE-2092217865 [0,1,0,1,0,0|1,0,1]=4 5037 B7R1.1 ClC[C@@H]1CCCN1 MCULE-4473753787 [0,1,0,1,0,0|1,0,1]=4 5038 B7R1.1 ClC[C@@H]1CCCN1 MCULE-9545872560 [0,1,0,1,0,0|1,0,1]=4 5039 B7R1.1 ClC[C@@H]1CCNC1 MCULE-3561633948 [0,1,0,1,0,0|1,0,1]=4 5040 B7R1.1 ClC[C@@H]1CCNC1 MCULE-9146547190 [0,1,0,1,0,0|1,0,1]=4 5041 B7R1.1 ClC[C@H]1CCCN1 MCULE-1186865731 [0,1,0,1,0,0|1,0,1]=4 5042 B7R1.1 ClC[C@H]1CCCN1 MCULE-3107383611 [0,1,0,1,0,0|1,0,1]=4 5043 B7R1.1 ClC[C@H]1CCNC1 MCULE-1113644310 [0,1,0,1,0,0|1,0,1]=4 5044 B7R1.1 ClC[C@H]1CCNC1 MCULE-4950070763 [0,1,0,1,0,0|1,0,1]=4 5045 B7R1.1 FCC1CCCN1 MCULE-3216030316 [0,1,0,1,0,0|1,0,1]=4 5046 B7R1.1 FCC1CCCN1 MCULE-4540803550 [0,1,0,1,0,0|1,0,1]=4 5047 B7R1.1 FCC1CCNC1 MCULE-1978414491 [0,1,0,1,0,0|1,0,1]=4 5048 B7R1.1 FCC1CCNC1 MCULE-5950087621 [0,1,0,1,0,0|1,0,1]=4 5049 B7R1.1 FCC1CCNC1 MCULE-7750703127 [0,1,0,1,0,0|1,0,1]=4 5050 B7R1.1 FCC1CCNC1 MCULE-8603606998 [0,1,0,1,0,0|1,0,1]=4 5051 B7R1.1 FC[C@@H]1CCCN1 MCULE-2463314208 [0,1,0,1,0,0|1,0,1]=4 5052 B7R1.1 FC[C@@H]1CCCN1 MCULE-3740139569 [0,1,0,1,0,0|1,0,1]=4 5053 B7R1.1 FC[C@@H]1CCCN1 MCULE-6899304468 [0,1,0,1,0,0|1,0,1]=4 5054 B7R1.1 FC[C@@H]1CCCN1 MCULE-9916936373 [0,1,0,1,0,0|1,0,1]=4 5055 B7R1.1 FC[C@@H]1CCNC1 MCULE-2159002313 [0,1,0,1,0,0|1,0,1]=4 5056 B7R1.1 FC[C@@H]1CCNC1 MCULE-4712597711 [0,1,0,1,0,0|1,0,1]=4 5057 B7R1.1 FC[C@@H]1CCNC1 MCULE-6166975534 [0,1,0,1,0,0|1,0,1]=4 5058 B7R1.1 FC[C@@H]1CCNC1 MCULE-7608233986 [0,1,0,1,0,0|1,0,1]=4 5059 B7R1.1 FC[C@H]1CCCN1 MCULE-1380365453 [0,1,0,1,0,0|1,0,1]=4 5060 B7R1.1 FC[C@H]1CCCN1 MCULE-1512160666 [0,1,0,1,0,0|1,0,1]=4 5061 B7R1.1 FC[C@H]1CCCN1 MCULE-2904385734 [0,1,0,1,0,0|1,0,1]=4 5062 B7R1.1 FC[C@H]1CCCN1 MCULE-9837641384 [0,1,0,1,0,0|1,0,1]=4 5063 B7R1.1 FC[C@H]1CCNC1 MCULE-2828011524 [0,1,0,1,0,0|1,0,1]=4 5064 B7R1.1 FC[C@H]1CCNC1 MCULE-4192540640 [0,1,0,1,0,0|1,0,1]=4 5065 B7R1.1 FC[C@H]1CCNC1 MCULE-5280605995 [0,1,0,1,0,0|1,0,1]=4 5066 B7R1.1 FC[C@H]1CCNC1 MCULE-8886310417 [0,1,0,1,0,0|1,0,1]=4 5067 B7R1.1 ICC1CC=CC1 MCULE-8435970870 [0,1,0,1,0,0|2,0,0]=4 5068 B7R1.1 ICC1CCCC1 MCULE-5940886897 [0,1,0,1,0,0|1,0,1]=4 5069 B7R1.1 ICC1CCCN1 MCULE-3467617934 [0,1,0,1,0,0|1,0,1]=4 5070 B7R1.1 ICC1CCCN1 MCULE-7784862806 [0,1,0,1,0,0|1,0,1]=4 5071 B7R1.1 ICC1CCCO1 MCULE-3981288245 [0,1,0,1,0,0|1,0,1]=4 5072 B7R1.1 ICC1CCNC1 MCULE-4259439945 [0,1,0,1,0,0|1,0,1]=4 5073 B7R1.1 ICC1CCNC1 MCULE-6061564929 [0,1,0,1,0,0|1,0,1]=4 5074 B7R1.1 ICC1CCOC1 MCULE-2014671156 [0,1,0,1,0,0|0,0,2]=4 5075 B7R1.1 IC[C@@H]1CCCN1 MCULE-4843756038 [0,1,0,1,0,0|1,0,1]=4 5076 B7R1.1 IC[C@@H]1CCCN1 MCULE-8213667136 [0,1,0,1,0,0|1,0,1]=4 5077 B7R1.1 IC[C@H]1CCOC1 MCULE-5163407500 [0,1,0,1,0,0|0,0,2]=4 5078 B7R1.1 N#CC1CCCC1 MCULE-1484517612 [0,1,0,1,0,0|1,0,1]=4 5079 B7R1.1 N#CC1CCCN1 MCULE-1423410021 [0,1,0,1,0,0|1,0,1]=4 5080 B7R1.1 N#CC1CCCN1 MCULE-2656253866 [0,1,0,1,0,0|1,0,1]=4 5081 B7R1.1 N#CC1CCCN1 MCULE-4406196575 [0,1,0,1,0,0|1,0,1]=4 5082 B7R1.1 N#CC1CCCN1 MCULE-7456938108 [0,1,0,1,0,0|1,0,1]=4 5083 B7R1.1 N#CC1CCCN1 MCULE-7786777677 [0,1,0,1,0,0|1,0,1]=4 5084 B7R1.1 N#CC1CCCN1 MCULE-9566371551 [0,1,0,1,0,0|1,0,1]=4 5085 B7R1.1 N#CC1CCCO1 MCULE-6657753631 [0,1,0,1,0,0|1,0,1]=4 5086 B7R1.1 N#CC1CCCS1 MCULE-6372148360 [0,1,0,1,0,0|1,0,1]=4 5087 B7R1.1 N#CC1CCNC1 MCULE-2090722666 [0,1,0,1,0,0|1,0,1]=4 5088 B7R1.1 N#CC1CCNC1 MCULE-3197404572 [0,1,0,1,0,0|1,0,1]=4 5089 B7R1.1 N#CC1CCNC1 MCULE-4677394011 [0,1,0,1,0,0|1,0,1]=4 5090 B7R1.1 N#CC1CCNC1 MCULE-7538071104 [0,1,0,1,0,0|1,0,1]=4 5091 B7R1.1 N#CC1CCOC1 MCULE-5555423051 [0,1,0,1,0,0|1,0,1]=4 5092 B7R1.1 N#CC1CCSC1 MCULE-6188837269 [0,1,0,1,0,0|1,0,1]=4 5093 B7R1.1 N#C[C@@H]1CCCN1 MCULE-4099952481 [0,1,0,1,0,0|1,0,1]=4 5094 B7R1.1 N#C[C@@H]1CCCN1 MCULE-4644423856 [0,1,0,1,0,0|1,0,1]=4 5095 B7R1.1 N#C[C@@H]1CCCN1 MCULE-5675394665 [0,1,0,1,0,0|1,0,1]=4 5096 B7R1.1 N#C[C@@H]1CCCN1 MCULE-5881469353 [0,1,0,1,0,0|1,0,1]=4 5097 B7R1.1 N#C[C@@H]1CCCN1 MCULE-8875516240 [0,1,0,1,0,0|1,0,1]=4 5098 B7R1.1 N#C[C@@H]1CCCN1 MCULE-9993553976 [0,1,0,1,0,0|1,0,1]=4 5099 B7R1.1 N#C[C@@H]1CCNC1 MCULE-3834395129 [0,1,0,1,0,0|1,0,1]=4 5100 B7R1.1 N#C[C@@H]1CCNC1 MCULE-5148825522 [0,1,0,1,0,0|1,0,1]=4 5101 B7R1.1 N#C[C@@H]1CCNC1 MCULE-6307308537 [0,1,0,1,0,0|1,0,1]=4 5102 B7R1.1 N#C[C@@H]1CCNC1 MCULE-6821015295 [0,1,0,1,0,0|1,0,1]=4 5103 B7R1.1 N#C[C@@H]1CCOC1 MCULE-4697885787 [0,1,0,1,0,0|1,0,1]=4 5104 B7R1.1 N#C[C@@H]1CCOC1 MCULE-7073460204 [0,1,0,1,0,0|1,0,1]=4 5105 B7R1.1 N#C[C@H]1CCCN1 MCULE-4472756314 [0,1,0,1,0,0|1,0,1]=4 5106 B7R1.1 N#C[C@H]1CCCN1 MCULE-6157392186 [0,1,0,1,0,0|1,0,1]=4 5107 B7R1.1 N#C[C@H]1CCCN1 MCULE-6672062231 [0,1,0,1,0,0|1,0,1]=4 5108 B7R1.1 N#C[C@H]1CCCN1 MCULE-7774660242 [0,1,0,1,0,0|1,0,1]=4 5109 B7R1.1 N#C[C@H]1CCCN1 MCULE-7910694136 [0,1,0,1,0,0|1,0,1]=4 5110 B7R1.1 N#C[C@H]1CCCN1 MCULE-8564583246 [0,1,0,1,0,0|1,0,1]=4 5111 B7R1.1 N#C[C@H]1CCNC1 MCULE-2994856177 [0,1,0,1,0,0|1,0,1]=4 5112 B7R1.1 N#C[C@H]1CCNC1 MCULE-4920099746 [0,1,0,1,0,0|1,0,1]=4 5113 B7R1.1 N#C[C@H]1CCNC1 MCULE-6338524969 [0,1,0,1,0,0|1,0,1]=4 5114 B7R1.1 N#C[C@H]1CCNC1 MCULE-8239077200 [0,1,0,1,0,0|1,0,1]=4 5115 B7R1.1 N#C[C@H]1CCOC1 MCULE-6745266026 [0,1,0,1,0,0|1,0,1]=4 5116 B7R1.1 N#C[C@H]1CCOC1 MCULE-6946151061 [0,1,0,1,0,0|1,0,1]=4 5117 B7R1.1 NCC1C=CCC1 MCULE-5829076156 [0,1,0,1,0,0|1,0,0]=3 5118 B7R1.1 NCC1C=CCC1 MCULE-8381701177 [0,1,0,1,0,0|1,0,0]=3 5119 B7R1.1 NCC1CC=CC1 MCULE-4315281916 [0,1,0,1,0,0|2,0,0]=4 5120 B7R1.1 NCC1CCCC1 MCULE-3629796849 [0,1,0,1,0,0|1,0,1]=4 5121 B7R1.1 NCC1CCCC1 MCULE-8453900433 [0,1,0,1,0,0|1,0,1]=4 5122 B7R1.1 NCC1CCCN1 MCULE-4764684364 [0,1,0,1,0,0|1,0,1]=4 5123 B7R1.1 NCC1CCCN1 MCULE-8971980286 [0,1,0,1,0,0|1,0,1]=4 5124 B7R1.1 NCC1CCCO1 MCULE-2797516262 [0,1,0,1,0,0|1,0,1]=4 5125 B7R1.1 NCC1CCCO1 MCULE-5970677903 [0,1,0,1,0,0|1,0,1]=4 5126 B7R1.1 NCC1CCCO1 MCULE-6166235034 [0,1,0,1,0,0|1,0,1]=4 5127 B7R1.1 NCC1CCCS1 MCULE-5278325816 [0,1,0,1,0,0|1,0,1]=4 5128 B7R1.1 NCC1CCNC1 MCULE-1458513231 [0,1,0,1,0,0|1,0,1]=4 5129 B7R1.1 NCC1CCNC1 MCULE-3817893631 [0,1,0,1,0,0|1,0,1]=4 5130 B7R1.1 NCC1CCOC1 MCULE-4208746127 [0,1,0,1,0,0|0,0,2]=4 5131 B7R1.1 NCC1CCOC1 MCULE-6540410947 [0,1,0,1,0,0|0,0,2]=4 5132 B7R1.1 NCC1CCSC1 MCULE-6868901477 [0,1,0,1,0,0|0,1,1]=4 5133 B7R1.1 NC[C@@H]1CCCN1 MCULE-4726727563 [0,1,0,1,0,0|1,0,1]=4 5134 B7R1.1 NC[C@@H]1CCCN1 MCULE-7513400460 [0,1,0,1,0,0|1,0,1]=4 5135 B7R1.1 NC[C@@H]1CCCN1 MCULE-7622329174 [0,1,0,1,0,0|1,0,1]=4 5136 B7R1.1 NC[C@@H]1CCCN1 MCULE-8573395464 [0,1,0,1,0,0|1,0,1]=4 5137 B7R1.1 NC[C@@H]1CCCO1 MCULE-1103643839 [0,1,0,1,0,0|1,0,1]=4 5138 B7R1.1 NC[C@@H]1CCCO1 MCULE-1402571993 [0,1,0,1,0,0|1,0,1]=4 5139 B7R1.1 NC[C@@H]1CCCO1 MCULE-1448381041 [0,1,0,1,0,0|1,0,1]=4 5140 B7R1.1 NC[C@@H]1CCCO1 MCULE-6664501749 [0,1,0,1,0,0|1,0,1]=4 5141 B7R1.1 NC[C@@H]1CCOC1 MCULE-2941934022 [0,1,0,1,0,0|0,0,2]=4 5142 B7R1.1 NC[C@@H]1CCOC1 MCULE-2981279377 [0,1,0,1,0,0|0,0,2]=4 5143 B7R1.1 NC[C@@H]1CCOC1 MCULE-6671508282 [0,1,0,1,0,0|0,0,2]=4 5144 B7R1.1 NC[C@@H]1CCOC1 MCULE-7170580817 [0,1,0,1,0,0|0,0,2]=4 5145 B7R1.1 NC[C@H]1CCCN1 MCULE-2813912286 [0,1,0,1,0,0|1,0,1]=4 5146 B7R1.1 NC[C@H]1CCCN1 MCULE-5505144820 [0,1,0,1,0,0|1,0,1]=4 5147 B7R1.1 NC[C@H]1CCCN1 MCULE-7325312327 [0,1,0,1,0,0|1,0,1]=4 5148 B7R1.1 NC[C@H]1CCCN1 MCULE-7708925831 [0,1,0,1,0,0|1,0,1]=4 5149 B7R1.1 NC[C@H]1CCCO1 MCULE-1196018690 [0,1,0,1,0,0|1,0,1]=4 5150 B7R1.1 NC[C@H]1CCCO1 MCULE-2037746017 [0,1,0,1,0,0|1,0,1]=4 5151 B7R1.1 NC[C@H]1CCCO1 MCULE-3470426685 [0,1,0,1,0,0|1,0,1]=4 5152 B7R1.1 NC[C@H]1CCCO1 MCULE-9918683284 [0,1,0,1,0,0|1,0,1]=4 5153 B7R1.1 NC[C@H]1CCOC1 MCULE-1537228220 [0,1,0,1,0,0|0,0,2]=4 5154 B7R1.1 NC[C@H]1CCOC1 MCULE-2673094483 [0,1,0,1,0,0|0,0,2]=4 5155 B7R1.1 NC[C@H]1CCOC1 MCULE-4873739830 [0,1,0,1,0,0|0,0,2]=4 5156 B7R1.1 NC[C@H]1CCOC1 MCULE-6059527282 [0,1,0,1,0,0|0,0,2]=4 5157 B7R1.1 NNC1CCCC1 MCULE-1363058529 [0,1,0,1,0,0|2,0,0]=4 5158 B7R1.1 NNC1CCCC1 MCULE-2803402819 [0,1,0,1,0,0|2,0,0]=4 5159 B7R1.1 NNC1CCCC1 MCULE-5556380186 [0,1,0,1,0,0|2,0,0]=4 5160 B7R1.1 NNC1CCNC1 MCULE-2142578337 [0,1,0,1,0,0|2,0,0]=4 5161 B7R1.1 NNC1CCNC1 MCULE-9229134321 [0,1,0,1,0,0|2,0,0]=4 5162 B7R1.1 NNC1CCOC1 MCULE-5497635104 [0,1,0,1,0,0|2,0,0]=4 5163 B7R1.1 NNC1CCOC1 MCULE-9086625827 [0,1,0,1,0,0|2,0,0]=4 5164 B7R1.1 NNC1CCOC1 MCULE-9696991785 [0,1,0,1,0,0|2,0,0]=4 5165 B7R1.1 NNC1CCSC1 MCULE-2826177760 [0,1,0,1,0,0|2,0,0]=4 5166 B7R1.1 NNC1CCSC1 MCULE-3433599716 [0,1,0,1,0,0|2,0,0]=4 5167 B7R1.1 NN[C@@H]1CCOC1 MCULE-5277138269 [0,1,0,1,0,0|2,0,0]=4 5168 B7R1.1 NN[C@@H]1CCOC1 MCULE-5921785384 [0,1,0,1,0,0|2,0,0]=4 5169 B7R1.1 NN[C@@H]1CCOC1 MCULE-7398479477 [0,1,0,1,0,0|2,0,0]=4 5170 B7R1.1 NN[C@@H]1CCOC1 MCULE-9971593238 [0,1,0,1,0,0|2,0,0]=4 5171 B7R1.1 NN[C@H]1CCOC1 MCULE-2032105408 [0,1,0,1,0,0|2,0,0]=4 5172 B7R1.1 NN[C@H]1CCOC1 MCULE-4857620237 [0,1,0,1,0,0|2,0,0]=4 5173 B7R1.1 NN[C@H]1CCOC1 MCULE-5796183363 [0,1,0,1,0,0|2,0,0]=4 5174 B7R1.1 NN[C@H]1CCOC1 MCULE-8921088992 [0,1,0,1,0,0|2,0,0]=4 5175 B7R1.1 NOC1CCCC1 MCULE-1504814106 [0,1,0,1,0,0|2,0,0]=4 5176 B7R1.1 NOC1CCCC1 MCULE-1973418119 [0,1,0,1,0,0|2,0,0]=4 5177 B7R1.1 NOC1CCOC1 MCULE-1016688849 [0,1,0,1,0,0|2,0,0]=4 5178 B7R1.1 O=CC1=CCCC1 MCULE-2270030217 [0,1,0,1,0,0|0,0,1]=3 5179 B7R1.1 O=CC1=CCCO1 MCULE-3464963164 [0,1,0,1,0,0|0,0,2]=4 5180 B7R1.1 O=CC1=CCSC1 MCULE-9591036145 [0,1,0,1,0,0|0,0,2]=4 5181 B7R1.1 O=CC1CC=CC1 MCULE-1563456893 [0,1,0,1,0,0|0,0,1]=3 5182 B7R1.1 O=CC1CCCC1 MCULE-4938681495 [0,1,0,1,0,0|0,0,0]=2 5183 B7R1.1 O=CC1CCCO1 MCULE-4587605451 [0,1,0,1,0,0|0,0,0]=2 5184 B7R1.1 O=CC1CCNC1 MCULE-5188223111 [0,1,0,1,0,0|0,0,0]=2 5185 B7R1.1 O=CC1CCOC1 MCULE-9515567606 [0,1,0,1,0,0|0,0,0]=2 5186 B7R1.1 O=CC1CCSC1 MCULE-1282848613 [0,1,0,1,0,0|0,0,0]=2 5187 B7R1.1 O=CN1CCCC1 MCULE-1922854302 [0,1,0,1,0,0|1,0,0]=3 5188 B7R1.1 O=C[C@@H]1CCOC1 MCULE-5181257964 [0,1,0,1,0,0|0,0,0]=2 5189 B7R1.1 O=C[C@H]1CCOC1 MCULE-4532427366 [0,1,0,1,0,0|0,0,0]=2 5190 B7R1.1 O=NN1CCCC1 MCULE-8449068120 [0,1,0,1,0,0|2,0,0]=4 5191 B7R1.1 OCC1=CCCC1 MCULE-8850570361 [0,1,0,1,0,0|1,0,1]=4 5192 B7R1.1 OCC1C=CCC1 MCULE-1237002603 [0,1,0,1,0,0|1,0,0]=3 5193 B7R1.1 OCC1C=CCN1 MCULE-1461746159 [0,1,0,1,0,0|2,0,0]=4 5194 B7R1.1 OCC1C=CCN1 MCULE-5814337815 [0,1,0,1,0,0|2,0,0]=4 5195 B7R1.1 OCC1CC=CC1 MCULE-4213030098 [0,1,0,1,0,0|2,0,0]=4 5196 B7R1.1 OCC1CCCC1 MCULE-2985338933 [0,1,0,1,0,0|0,0,2]=4 5197 B7R1.1 OCC1CCCN1 MCULE-1016922679 [0,1,0,1,0,0|0,0,2]=4 5198 B7R1.1 OCC1CCCN1 MCULE-8224535891 [0,1,0,1,0,0|0,0,2]=4 5199 B7R1.1 OCC1CCCO1 MCULE-5877114547 [0,1,0,1,0,0|0,0,2]=4 5200 B7R1.1 OCC1CCCO1 MCULE-5884880244 [0,1,0,1,0,0|0,0,2]=4 5201 B7R1.1 OCC1CCCS1 MCULE-6106081414 [0,1,0,1,0,0|0,0,2]=4 5202 B7R1.1 OCC1CCNC1 MCULE-7883947611 [0,1,0,1,0,0|0,0,2]=4 5203 B7R1.1 OCC1CCNC1 MCULE-9689521155 [0,1,0,1,0,0|0,0,2]=4 5204 B7R1.1 OCC1CCOC1 MCULE-8926405046 [0,1,0,1,0,0|0,0,2]=4 5205 B7R1.1 OCC1CCON1 MCULE-1199975481 [0,1,0,1,0,0|1,0,1]=4 5206 B7R1.1 OCC1CCON1 MCULE-4772487016 [0,1,0,1,0,0|1,0,1]=4 5207 B7R1.1 OCC1CCSC1 MCULE-2226132734 [0,1,0,1,0,0|0,0,2]=4 5208 B7R1.1 OC[C@@H]1CCCN1 MCULE-1791547752 [0,1,0,1,0,0|0,0,2]=4 5209 B7R1.1 OC[C@@H]1CCCN1 MCULE-6448856585 [0,1,0,1,0,0|0,0,2]=4 5210 B7R1.1 OC[C@@H]1CCCN1 MCULE-7214801659 [0,1,0,1,0,0|0,0,2]=4 5211 B7R1.1 OC[C@@H]1CCCN1 MCULE-7248451975 [0,1,0,1,0,0|0,0,2]=4 5212 B7R1.1 OC[C@@H]1CCCO1 MCULE-1788377708 [0,1,0,1,0,0|0,0,2]=4 5213 B7R1.1 OC[C@@H]1CCCO1 MCULE-3533553137 [0,1,0,1,0,0|0,0,2]=4 5214 B7R1.1 OC[C@@H]1CCNC1 MCULE-3126404140 [0,1,0,1,0,0|0,0,2]=4 5215 B7R1.1 OC[C@@H]1CCNC1 MCULE-4876549629 [0,1,0,1,0,0|0,0,2]=4 5216 B7R1.1 OC[C@@H]1CCNC1 MCULE-7050415145 [0,1,0,1,0,0|0,0,2]=4 5217 B7R1.1 OC[C@@H]1CCNC1 MCULE-8785146407 [0,1,0,1,0,0|0,0,2]=4 5218 B7R1.1 OC[C@@H]1CCOC1 MCULE-2004616524 [0,1,0,1,0,0|0,0,2]=4 5219 B7R1.1 OC[C@@H]1CCOC1 MCULE-3801423698 [0,1,0,1,0,0|0,0,2]=4 5220 B7R1.1 OC[C@H]1CCCN1 MCULE-1266532697 [0,1,0,1,0,0|0,0,2]=4 5221 B7R1.1 OC[C@H]1CCCN1 MCULE-1724166794 [0,1,0,1,0,0|0,0,2]=4 5222 B7R1.1 OC[C@H]1CCCN1 MCULE-7513431964 [0,1,0,1,0,0|0,0,2]=4 5223 B7R1.1 OC[C@H]1CCCN1 MCULE-8398083695 [0,1,0,1,0,0|0,0,2]=4 5224 B7R1.1 OC[C@H]1CCCO1 MCULE-3501680239 [0,1,0,1,0,0|0,0,2]=4 5225 B7R1.1 OC[C@H]1CCCO1 MCULE-4925106568 [0,1,0,1,0,0|0,0,2]=4 5226 B7R1.1 OC[C@H]1CCNC1 MCULE-3909770597 [0,1,0,1,0,0|0,0,2]=4 5227 B7R1.1 OC[C@H]1CCNC1 MCULE-5006682123 [0,1,0,1,0,0|0,0,2]=4 5228 B7R1.1 OC[C@H]1CCNC1 MCULE-8265382423 [0,1,0,1,0,0|0,0,2]=4 5229 B7R1.1 OC[C@H]1CCNC1 MCULE-8371969680 [0,1,0,1,0,0|0,0,2]=4 5230 B7R1.1 OC[C@H]1CCOC1 MCULE-4226412289 [0,1,0,1,0,0|0,0,2]=4 5231 B7R1.1 OC[C@H]1CCOC1 MCULE-9076004118 [0,1,0,1,0,0|0,0,2]=4 5232 B7R1.1 ONC1CCCC1 MCULE-1143510043 [0,1,0,1,0,0|1,0,1]=4 5233 B7R1.1 ONC1CCCC1 MCULE-7548854169 [0,1,0,1,0,0|1,0,1]=4 5234 B7R1.1 SCC1CCCC1 MCULE-7973872166 [0,1,0,1,0,0|0,1,1]=4 5235 B7R1.1 SCC1CCCO1 MCULE-5962232488 [0,1,0,1,0,0|0,1,1]=4 5236 B7R1.1 SCC1CCOC1 MCULE-4504314486 [0,1,0,1,0,0|0,0,2]=4 5237 B7R1.2 BrC1C=CC(C1)Br MCULE-1382581877 [0,1,0,1,0,0|2,0,0]=4 5238 B7R1.2 C1(CNC(=O)C1)N MCULE-6663942203 [0,1,0,1,0,0|2,0,0]=4 5239 B7R1.2 C1(CNC(=O)C1)N MCULE-7862049809 [0,1,0,1,0,0|2,0,0]=4 5240 B7R1.2 C1(CNC(=O)C1)O MCULE-5557473335 [0,1,0,1,0,0|2,0,0]=4 5241 B7R1.2 C1(COC(=O)N1)C MCULE-2821940224 [0,1,0,1,0,0|1,0,0]=3 5242 B7R1.2 C=C1CCC(=O)O1 MCULE-2485348963 [0,1,0,1,0,0|0,0,2]=4 5243 B7R1.2 CC1=CC(=O)CC1 MCULE-5496838191 [0,1,0,1,0,0|0,0,1]=3 5244 B7R1.2 CC1=CC(=O)CO1 MCULE-6570401610 [0,1,0,1,0,0|1,0,1]=4 5245 B7R1.2 CC1=CC(=O)OC1 MCULE-6549202383 [0,1,0,1,0,0|1,0,1]=4 5246 B7R1.2 CC1=CCC(=O)O1 MCULE-5954539189 [0,1,0,1,0,0|0,0,2]=4 5247 B7R1.2 CC1=CCC(=O)O1 MCULE-7236091694 [0,1,0,1,0,0|0,0,2]=4 5248 B7R1.2 CC1=CCC(=O)S1 MCULE-5812502919 [0,1,0,1,0,0|0,0,2]=4 5249 B7R1.2 CC1=NC(CC1)C MCULE-9630685459 [0,1,0,1,0,0|1,0,0]=3 5250 B7R1.2 CC1=NC(CO1)C MCULE-2489340707 [0,1,0,1,0,0|2,0,0]=4 5251 B7R1.2 CC1=NC(CS1)C MCULE-8843957654 [0,1,0,1,0,0|2,0,0]=4 5252 B7R1.2 CC1C=CC(=O)O1 MCULE-7172637771 [0,1,0,1,0,0|0,0,2]=4 5253 B7R1.2 CC1CC(=O)CO1 MCULE-7022597277 [0,1,0,1,0,0|1,0,0]=3 5254 B7R1.2 CC1CC(=O)CS1 MCULE-7518365363 [0,1,0,1,0,0|1,0,0]=3 5255 B7R1.2 CC1CC(=O)NN1 MCULE-2056748401 [0,1,0,1,0,0|2,0,0]=4 5256 B7R1.2 CC1CC(=O)NN1 MCULE-8107476665 [0,1,0,1,0,0|2,0,0]=4 5257 B7R1.2 CC1CC(CN1)F MCULE-5211772527 [0,1,0,1,0,0|2,0,0]=4 5258 B7R1.2 CC1CC(CN1)F MCULE-6845898511 [0,1,0,1,0,0|2,0,0]=4 5259 B7R1.2 CC1CC(CN1)O MCULE-5630063862 [0,1,0,1,0,0|2,0,0]=4 5260 B7R1.2 CC1CC(CN1)O MCULE-7427731937 [0,1,0,1,0,0|2,0,0]=4 5261 B7R1.2 CC1CC(CO1)N MCULE-5031195609 [0,1,0,1,0,0|2,0,0]=4 5262 B7R1.2 CC1CC(CO1)N MCULE-6627149239 [0,1,0,1,0,0|2,0,0]=4 5263 B7R1.2 CC1CC(CO1)O MCULE-1304022283 [0,1,0,1,0,0|2,0,0]=4 5264 B7R1.2 CC1CC(CS1)N MCULE-2886562999 [0,1,0,1,0,0|2,0,0]=4 5265 B7R1.2 CC1CCC(=N1)N MCULE-3470792627 [0,1,0,1,0,0|1,0,0]=3 5266 B7R1.2 CC1CCC(=N1)N MCULE-7952001291 [0,1,0,1,0,0|1,0,0]=3 5267 B7R1.2 CC1CCC(=O)C1 MCULE-6716533429 [0,1,0,1,0,0|0,0,0]=2 5268 B7R1.2 CC1CCC(=O)N1 MCULE-8928464449 [0,1,0,1,0,0|0,0,0]=2 5269 B7R1.2 CC1CCC(=O)N1 MCULE-9236321365 [0,1,0,1,0,0|0,0,0]=2 5270 B7R1.2 CC1CCC(=O)O1 MCULE-3014789527 [0,1,0,1,0,0|0,0,0]=2 5271 B7R1.2 CC1CCC(C1)Br MCULE-3834311364 [0,1,0,1,0,0|1,0,1]=4 5272 B7R1.2 CC1CCC(C1)Cl MCULE-7669391571 [0,1,0,1,0,0|1,0,1]=4 5273 B7R1.2 CC1CCC(C1)N MCULE-3681457592 [0,1,0,1,0,0|1,0,1]=4 5274 B7R1.2 CC1CCC(C1)N MCULE-8238390084 [0,1,0,1,0,0|1,0,1]=4 5275 B7R1.2 CC1CCC(C1)O MCULE-7892602703 [0,1,0,1,0,0|0,0,2]=4 5276 B7R1.2 CC1CCC(N1)C MCULE-8652550641 [0,1,0,1,0,0|1,0,1]=4 5277 B7R1.2 CC1CCC(N1)C MCULE-9945795318 [0,1,0,1,0,0|1,0,1]=4 5278 B7R1.2 CC1CCC(O1)C MCULE-6766843462 [0,1,0,1,0,0|1,0,1]=4 5279 B7R1.2 CC1CC[C@H](N1)C MCULE-7537248866 [0,1,0,1,0,0|1,0,1]=4 5280 B7R1.2 CC1CC[C@H](N1)C MCULE-8839413924 [0,1,0,1,0,0|1,0,1]=4 5281 B7R1.2 CC1CN=C(O1)N MCULE-2936787754 [0,1,0,1,0,0|2,0,0]=4 5282 B7R1.2 CC1CN=C(O1)N MCULE-5542499755 [0,1,0,1,0,0|2,0,0]=4 5283 B7R1.2 CC1CN=C(S1)N MCULE-5641549444 [0,1,0,1,0,0|2,0,0]=4 5284 B7R1.2 CC1CN=C(S1)N MCULE-9229369376 [0,1,0,1,0,0|2,0,0]=4 5285 B7R1.2 CC1CNC(=O)C1 MCULE-7180589009 [0,1,0,1,0,0|1,0,0]=3 5286 B7R1.2 CC1CNC(=O)N1 MCULE-3789430210 [0,1,0,1,0,0|1,0,0]=3 5287 B7R1.2 CC1CNC(=O)O1 MCULE-1288358267 [0,1,0,1,0,0|1,0,0]=3 5288 B7R1.2 CC1CNC(=S)N1 MCULE-5305006156 [0,1,0,1,0,0|1,1,0]=4 5289 B7R1.2 CC1CNC(=S)S1 MCULE-1131079445 [0,1,0,1,0,0|1,1,0]=4 5290 B7R1.2 CC1CNC(C1)C MCULE-3051496448 [0,1,0,1,0,0|1,0,1]=4 5291 B7R1.2 CC1CNC(C1)C MCULE-9324057254 [0,1,0,1,0,0|1,0,1]=4 5292 B7R1.2 CC1COC(=O)C1 MCULE-7226555218 [0,1,0,1,0,0|1,0,0]=3 5293 B7R1.2 CC1COC(=O)N1 MCULE-5787960105 [0,1,0,1,0,0|1,0,0]=3 5294 B7R1.2 CC1COC(=O)O1 MCULE-9055336051 [0,1,0,1,0,0|1,0,0]=3 5295 B7R1.2 CC1COC(=S)N1 MCULE-4793665300 [0,1,0,1,0,0|1,1,0]=4 5296 B7R1.2 CC1COC(O1)C MCULE-5670718739 [0,1,0,1,0,0|0,0,2]=4 5297 B7R1.2 CC1COS(=O)O1 MCULE-7795249539 [0,1,0,1,0,0|2,0,0]=4 5298 B7R1.2 CC1CSC(=O)S1 MCULE-5074098161 [0,1,0,1,0,0|1,0,0]=3 5299 B7R1.2 CC1CSC(=S)N1 MCULE-9334196132 [0,1,0,1,0,0|1,1,0]=4 5300 B7R1.2 CC1NCC(=O)N1 MCULE-9790180398 [0,1,0,1,0,0|1,0,0]=3 5301 B7R1.2 CN1CCC(=O)C1 MCULE-4017029823 [0,1,0,1,0,0|1,0,0]=3 5302 B7R1.2 CN1CCC(=O)C1 MCULE-8684002131 [0,1,0,1,0,0|1,0,0]=3 5303 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-1621276410 [0,1,0,1,0,0|1,0,0]=3 5304 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-8721208019 [0,1,0,1,0,0|1,0,0]=3 5305 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-2915942259 [0,1,0,1,0,0|0,0,0]=2 5306 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-8123247569 [0,1,0,1,0,0|0,0,0]=2 5307 B7R1.2 C[C@@H]1CCC(=O)O1 MCULE-5934008113 [0,1,0,1,0,0|0,0,0]=2 5308 B7R1.2 C[C@@H]1CC[C@@H](C1)N MCULE-9471729241 [0,1,0,1,0,0|1,0,1]=4 5309 B7R1.2 C[C@@H]1CC[C@H](C1)N MCULE-5368765184 [0,1,0,1,0,0|1,0,1]=4 5310 B7R1.2 C[C@@H]1CC[C@H](N1)C MCULE-1673197449 [0,1,0,1,0,0|1,0,1]=4 5311 B7R1.2 C[C@@H]1CC[C@H](N1)C MCULE-2729648845 [0,1,0,1,0,0|1,0,1]=4 5312 B7R1.2 C[C@@H]1CC[C@H](N1)C MCULE-4960548681 [0,1,0,1,0,0|1,0,1]=4 5313 B7R1.2 C[C@@H]1CC[C@H](N1)C MCULE-9686295802 [0,1,0,1,0,0|1,0,1]=4 5314 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-2439559922 [0,1,0,1,0,0|1,0,0]=3 5315 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-7246323100 [0,1,0,1,0,0|1,0,0]=3 5316 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-8336717940 [0,1,0,1,0,0|1,0,0]=3 5317 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-9661080313 [0,1,0,1,0,0|1,0,0]=3 5318 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1121808555 [0,1,0,1,0,0|1,0,0]=3 5319 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1627827491 [0,1,0,1,0,0|1,0,0]=3 5320 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-2439588002 [0,1,0,1,0,0|1,0,0]=3 5321 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-5329850427 [0,1,0,1,0,0|1,0,0]=3 5322 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-3187800510 [0,1,0,1,0,0|1,0,0]=3 5323 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-6719271655 [0,1,0,1,0,0|1,0,0]=3 5324 B7R1.2 C[C@@H]1C[C@@H](CN1)F MCULE-1790804170 [0,1,0,1,0,0|2,0,0]=4 5325 B7R1.2 C[C@@H]1C[C@@H](CN1)F MCULE-2224321786 [0,1,0,1,0,0|2,0,0]=4 5326 B7R1.2 C[C@@H]1C[C@@H](CN1)F MCULE-6164070045 [0,1,0,1,0,0|2,0,0]=4 5327 B7R1.2 C[C@@H]1C[C@@H](CN1)F MCULE-6870592338 [0,1,0,1,0,0|2,0,0]=4 5328 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-1211015225 [0,1,0,1,0,0|2,0,0]=4 5329 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-8025231795 [0,1,0,1,0,0|2,0,0]=4 5330 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-8074184383 [0,1,0,1,0,0|2,0,0]=4 5331 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-8403784233 [0,1,0,1,0,0|2,0,0]=4 5332 B7R1.2 C[C@@H]1C[C@H](CN1)F MCULE-1165785658 [0,1,0,1,0,0|2,0,0]=4 5333 B7R1.2 C[C@@H]1C[C@H](CN1)F MCULE-2237025386 [0,1,0,1,0,0|2,0,0]=4 5334 B7R1.2 C[C@@H]1C[C@H](CN1)F MCULE-4695463101 [0,1,0,1,0,0|2,0,0]=4 5335 B7R1.2 C[C@@H]1C[C@H](CN1)F MCULE-9859386988 [0,1,0,1,0,0|2,0,0]=4 5336 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-4359200896 [0,1,0,1,0,0|2,0,0]=4 5337 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-5029850022 [0,1,0,1,0,0|2,0,0]=4 5338 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-8880723450 [0,1,0,1,0,0|2,0,0]=4 5339 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-8966000465 [0,1,0,1,0,0|2,0,0]=4 5340 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-3272300487 [0,1,0,1,0,0|1,0,0]=3 5341 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-4583858198 [0,1,0,1,0,0|1,0,0]=3 5342 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-5135895304 [0,1,0,1,0,0|1,0,0]=3 5343 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-6058896534 [0,1,0,1,0,0|1,0,0]=3 5344 B7R1.2 C[C@H]1CCC(=O)C1 MCULE-7319626625 [0,1,0,1,0,0|0,0,0]=2 5345 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-2618122031 [0,1,0,1,0,0|0,0,0]=2 5346 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-6630066118 [0,1,0,1,0,0|0,0,0]=2 5347 B7R1.2 C[C@H]1CCC(=O)O1 MCULE-5274272771 [0,1,0,1,0,0|0,0,0]=2 5348 B7R1.2 C[C@H]1CC[C@@H](C1)N MCULE-1080493056 [0,1,0,1,0,0|1,0,1]=4 5349 B7R1.2 C[C@H]1CC[C@@H](N1)C MCULE-4583560293 [0,1,0,1,0,0|1,0,1]=4 5350 B7R1.2 C[C@H]1CC[C@@H](N1)C MCULE-8297612622 [0,1,0,1,0,0|1,0,1]=4 5351 B7R1.2 C[C@H]1CC[C@@H](N1)C MCULE-8699883146 [0,1,0,1,0,0|1,0,1]=4 5352 B7R1.2 C[C@H]1CC[C@@H](N1)C MCULE-8917914682 [0,1,0,1,0,0|1,0,1]=4 5353 B7R1.2 C[C@H]1CC[C@H](C1)C MCULE-8059507758 [0,1,0,1,0,0|1,0,1]=4 5354 B7R1.2 C[C@H]1CC[C@H](C1)N MCULE-7070775136 [0,1,0,1,0,0|1,0,1]=4 5355 B7R1.2 C[C@H]1CC[C@H](N1)C MCULE-1935235769 [0,1,0,1,0,0|1,0,1]=4 5356 B7R1.2 C[C@H]1CC[C@H](N1)C MCULE-9833374653 [0,1,0,1,0,0|1,0,1]=4 5357 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-3395896178 [0,1,0,1,0,0|1,0,0]=3 5358 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-8492971593 [0,1,0,1,0,0|1,0,0]=3 5359 B7R1.2 C[C@H]1COC(=O)C1 MCULE-6050720348 [0,1,0,1,0,0|1,0,0]=3 5360 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7240884474 [0,1,0,1,0,0|1,0,0]=3 5361 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7811823319 [0,1,0,1,0,0|1,0,0]=3 5362 B7R1.2 C[C@H]1COC(=O)O1 MCULE-2416711374 [0,1,0,1,0,0|1,0,0]=3 5363 B7R1.2 C[C@H]1COC(=O)O1 MCULE-4223856214 [0,1,0,1,0,0|1,0,0]=3 5364 B7R1.2 C[C@H]1CSC(=S)N1 MCULE-6690407523 [0,1,0,1,0,0|1,1,0]=4 5365 B7R1.2 C[C@H]1C[C@@H](CN1)F MCULE-1742492020 [0,1,0,1,0,0|2,0,0]=4 5366 B7R1.2 C[C@H]1C[C@@H](CN1)F MCULE-4690497151 [0,1,0,1,0,0|2,0,0]=4 5367 B7R1.2 C[C@H]1C[C@@H](CN1)F MCULE-7372620241 [0,1,0,1,0,0|2,0,0]=4 5368 B7R1.2 C[C@H]1C[C@@H](CN1)F MCULE-8319027426 [0,1,0,1,0,0|2,0,0]=4 5369 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-1346257695 [0,1,0,1,0,0|2,0,0]=4 5370 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-3035291598 [0,1,0,1,0,0|2,0,0]=4 5371 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-8611352921 [0,1,0,1,0,0|2,0,0]=4 5372 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-9413190353 [0,1,0,1,0,0|2,0,0]=4 5373 B7R1.2 C[C@H]1C[C@H](CN1)F MCULE-1099206732 [0,1,0,1,0,0|2,0,0]=4 5374 B7R1.2 C[C@H]1C[C@H](CN1)F MCULE-8257992498 [0,1,0,1,0,0|2,0,0]=4 5375 B7R1.2 C[C@H]1C[C@H](CN1)F MCULE-8335445065 [0,1,0,1,0,0|2,0,0]=4 5376 B7R1.2 C[C@H]1C[C@H](CN1)F MCULE-9395416229 [0,1,0,1,0,0|2,0,0]=4 5377 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-3188785695 [0,1,0,1,0,0|2,0,0]=4 5378 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-4518572489 [0,1,0,1,0,0|2,0,0]=4 5379 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-5322353871 [0,1,0,1,0,0|2,0,0]=4 5380 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-9693826142 [0,1,0,1,0,0|2,0,0]=4 5381 B7R1.2 NC1=CC(=O)CC1 MCULE-9465243079 [0,1,0,1,0,0|1,0,1]=4 5382 B7R1.2 NC1C=CC(C1)O MCULE-1250487700 [0,1,0,1,0,0|2,0,0]=4 5383 B7R1.2 NC1CCC(=O)C1 MCULE-5102535286 [0,1,0,1,0,0|1,0,0]=3 5384 B7R1.2 NC1CCC(=O)C1 MCULE-7722818264 [0,1,0,1,0,0|1,0,0]=3 5385 B7R1.2 NC1CCC(=O)N1 MCULE-1843033026 [0,1,0,1,0,0|1,0,0]=3 5386 B7R1.2 NC1CCC(=O)N1 MCULE-7671057220 [0,1,0,1,0,0|1,0,0]=3 5387 B7R1.2 NC1CCS(=O)C1 MCULE-7416029311 [0,1,0,1,0,0|1,0,1]=4 5388 B7R1.2 NC1CCS(=O)C1 MCULE-8914660363 [0,1,0,1,0,0|1,0,1]=4 5389 B7R1.2 NC1CNC(=O)C1 MCULE-1690074091 [0,1,0,1,0,0|2,0,0]=4 5390 B7R1.2 NC1CNC(=O)C1 MCULE-2563813057 [0,1,0,1,0,0|2,0,0]=4 5391 B7R1.2 NC1CNC(=O)C1 MCULE-5332234739 [0,1,0,1,0,0|2,0,0]=4 5392 B7R1.2 NC1CNC(=O)C1 MCULE-9955937074 [0,1,0,1,0,0|2,0,0]=4 5393 B7R1.2 NC1COC(=O)C1 MCULE-1027386953 [0,1,0,1,0,0|2,0,0]=4 5394 B7R1.2 NC1COC(=O)C1 MCULE-1493825051 [0,1,0,1,0,0|2,0,0]=4 5395 B7R1.2 NC1COC(=O)C1 MCULE-3118610284 [0,1,0,1,0,0|2,0,0]=4 5396 B7R1.2 NC1COC(=O)C1 MCULE-8194840985 [0,1,0,1,0,0|2,0,0]=4 5397 B7R1.2 NC1NC(=O)CS1 MCULE-5789159592 [0,1,0,1,0,0|2,0,0]=4 5398 B7R1.2 N[C@@H]1C=C[C@@H](C1)O MCULE-3439280280 [0,1,0,1,0,0|2,0,0]=4 5399 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-1502944618 [0,1,0,1,0,0|2,0,0]=4 5400 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-2444469131 [0,1,0,1,0,0|2,0,0]=4 5401 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-7277309874 [0,1,0,1,0,0|2,0,0]=4 5402 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-8533160250 [0,1,0,1,0,0|2,0,0]=4 5403 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-2437548952 [0,1,0,1,0,0|2,0,0]=4 5404 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4215135536 [0,1,0,1,0,0|2,0,0]=4 5405 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4884145743 [0,1,0,1,0,0|2,0,0]=4 5406 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-9276068415 [0,1,0,1,0,0|2,0,0]=4 5407 B7R1.2 N[C@H]1C=C[C@H](C1)O MCULE-2880951702 [0,1,0,1,0,0|2,0,0]=4 5408 B7R1.2 N[C@H]1C=C[C@H](C1)O MCULE-7715311088 [0,1,0,1,0,0|2,0,0]=4 5409 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-1884894725 [0,1,0,1,0,0|2,0,0]=4 5410 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-2130809002 [0,1,0,1,0,0|2,0,0]=4 5411 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-3881338264 [0,1,0,1,0,0|2,0,0]=4 5412 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-4324375667 [0,1,0,1,0,0|2,0,0]=4 5413 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-5900761307 [0,1,0,1,0,0|2,0,0]=4 5414 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-6007209179 [0,1,0,1,0,0|2,0,0]=4 5415 B7R1.2 N[C@H]1COC(=O)C1 MCULE-2936782126 [0,1,0,1,0,0|2,0,0]=4 5416 B7R1.2 N[C@H]1COC(=O)C1 MCULE-4255876921 [0,1,0,1,0,0|2,0,0]=4 5417 B7R1.2 N[C@H]1COC(=O)C1 MCULE-5377151477 [0,1,0,1,0,0|2,0,0]=4 5418 B7R1.2 N[C@H]1COC(=O)C1 MCULE-6406960509 [0,1,0,1,0,0|2,0,0]=4 5419 B7R1.2 O=C1C=C(CC1)Br MCULE-8421005141 [0,1,0,1,0,0|1,0,1]=4 5420 B7R1.2 O=C1C=C(CC1)Cl MCULE-4481059890 [0,1,0,1,0,0|1,0,1]=4 5421 B7R1.2 O=C1C=C(CC1)I MCULE-9887353763 [0,1,0,1,0,0|1,0,1]=4 5422 B7R1.2 O=C1C=C(CC1)O MCULE-4815747510 [0,1,0,1,0,0|1,0,1]=4 5423 B7R1.2 O=C1CC(CN1)O MCULE-8498039777 [0,1,0,1,0,0|2,0,0]=4 5424 B7R1.2 O=C1CC(CN1)S MCULE-3257609096 [0,1,0,1,0,0|2,0,0]=4 5425 B7R1.2 O=C1CC(CO1)O MCULE-3779919332 [0,1,0,1,0,0|2,0,0]=4 5426 B7R1.2 O=C1CC(CO1)O MCULE-5609071664 [0,1,0,1,0,0|2,0,0]=4 5427 B7R1.2 O=C1CCC(=O)C1 MCULE-6436831689 [0,1,0,1,0,0|1,0,1]=4 5428 B7R1.2 O=C1CCC(=O)N1 MCULE-8278049979 [0,1,0,1,0,0|1,0,1]=4 5429 B7R1.2 O=C1CCC(=O)O1 MCULE-1458819618 [0,1,0,1,0,0|1,0,1]=4 5430 B7R1.2 O=C1CCC(C1)F MCULE-9585894610 [0,1,0,1,0,0|1,0,0]=3 5431 B7R1.2 O=C1CCC(C1)I MCULE-5558007377 [0,1,0,1,0,0|1,0,0]=3 5432 B7R1.2 O=C1CCC(C1)O MCULE-8500536547 [0,1,0,1,0,0|1,0,0]=3 5433 B7R1.2 O=C1CCC(N1)O MCULE-1790956080 [0,1,0,1,0,0|1,0,0]=3 5434 B7R1.2 O=C1CCC(O1)F MCULE-6874239017 [0,1,0,1,0,0|1,0,0]=3 5435 B7R1.2 O=C1CCC(O1)O MCULE-5296344468 [0,1,0,1,0,0|1,0,0]=3 5436 B7R1.2 O=C1CNC(S1)S MCULE-9237115672 [0,1,0,1,0,0|2,0,0]=4 5437 B7R1.2 O=C1C[C@@H](CN1)O MCULE-2016792324 [0,1,0,1,0,0|2,0,0]=4 5438 B7R1.2 O=C1C[C@@H](CN1)O MCULE-9756194758 [0,1,0,1,0,0|2,0,0]=4 5439 B7R1.2 O=C1C[C@@H](CO1)O MCULE-1467506377 [0,1,0,1,0,0|2,0,0]=4 5440 B7R1.2 O=C1C[C@@H](CO1)O MCULE-3668466479 [0,1,0,1,0,0|2,0,0]=4 5441 B7R1.2 O=C1C[C@H](CN1)O MCULE-2017150152 [0,1,0,1,0,0|2,0,0]=4 5442 B7R1.2 O=C1C[C@H](CN1)O MCULE-5168961542 [0,1,0,1,0,0|2,0,0]=4 5443 B7R1.2 O=C1C[C@H](CN1)S MCULE-6980612759 [0,1,0,1,0,0|2,0,0]=4 5444 B7R1.2 O=C1C[C@H](CN1)S MCULE-7205538285 [0,1,0,1,0,0|2,0,0]=4 5445 B7R1.2 O=C1C[C@H](CO1)O MCULE-5756899897 [0,1,0,1,0,0|2,0,0]=4 5446 B7R1.2 O=C1C[C@H](CO1)O MCULE-6247095672 [0,1,0,1,0,0|2,0,0]=4 5447 B7R1.2 O=C1OCC(O1)Cl MCULE-4046020713 [0,1,0,1,0,0|2,0,0]=4 5448 B7R1.2 O=C1OCC(O1)F MCULE-7198712298 [0,1,0,1,0,0|2,0,0]=4 5449 B7R1.2 OC1C=CC(C1)O MCULE-9792113599 [0,1,0,1,0,0|2,0,0]=4 5450 B7R1.2 O[C@@H]1C=C[C@@H](C1)O MCULE-7187295032 [0,1,0,1,0,0|2,0,0]=4 5451 B7R1.2 [C@H]1(CCC(=O)C1)C MCULE-3827565169 [0,1,0,1,0,0|0,0,0]=2 5452 B7R1.2 [C@H]1(CN[C@@H](C1)C)O MCULE-1916837136 [0,1,0,1,0,0|2,0,0]=4 5453 B7R1.2 [C@H]1(CN[C@@H](C1)C)O MCULE-8263093896 [0,1,0,1,0,0|2,0,0]=4 5454 B7R1.2 [C@H]1(CN[C@H](C1)C)O MCULE-9065610836 [0,1,0,1,0,0|2,0,0]=4 5455 B7R1.2 [C@H]1(CN[C@H](C1)C)O MCULE-9910248291 [0,1,0,1,0,0|2,0,0]=4 5456 B7R1.3 BrC1C=CCCC1 MCULE-1210573604 [0,1,0,1,0,0|2,0,0]=4 5457 B7R1.3 C1(CNCCN1)C MCULE-7759957935 [0,1,0,1,0,0|1,0,1]=4 5458 B7R1.3 C1(CNCCO1)C MCULE-2805380245 [0,1,0,1,0,0|1,0,1]=4 5459 B7R1.3 C1(CNCCO1)C MCULE-3532041523 [0,1,0,1,0,0|1,0,1]=4 5460 B7R1.3 CC1=CC=CCC1 MCULE-3797800778 [0,1,0,1,0,0|1,0,1]=4 5461 B7R1.3 CC1=CCCC=C1 MCULE-6224653152 [0,1,0,1,0,0|1,0,1]=4 5462 B7R1.3 CC1=CCCCC1 MCULE-2795172496 [0,1,0,1,0,0|1,0,1]=4 5463 B7R1.3 CC1=CCCNC1 MCULE-8145216779 [0,1,0,1,0,0|1,0,1]=4 5464 B7R1.3 CC1=CCCNC1 MCULE-9021954061 [0,1,0,1,0,0|1,0,1]=4 5465 B7R1.3 CC1=CCNCC1 MCULE-1503915992 [0,1,0,1,0,0|1,0,1]=4 5466 B7R1.3 CC1=CCNCC1 MCULE-3349815065 [0,1,0,1,0,0|1,0,1]=4 5467 B7R1.3 CC1C=CCCC1 MCULE-8057302830 [0,1,0,1,0,0|1,0,0]=3 5468 B7R1.3 CC1CC=CCC1 MCULE-6343106785 [0,1,0,1,0,0|1,0,0]=3 5469 B7R1.3 CC1CCCCC1 MCULE-3843525768 [0,1,0,1,0,0|1,0,1]=4 5470 B7R1.3 CC1CCCCN1 MCULE-1741870990 [0,1,0,1,0,0|1,0,1]=4 5471 B7R1.3 CC1CCCCN1 MCULE-4453126703 [0,1,0,1,0,0|1,0,1]=4 5472 B7R1.3 CC1CCCCN1 MCULE-6620063962 [0,1,0,1,0,0|1,0,1]=4 5473 B7R1.3 CC1CCCCN1 MCULE-6838766744 [0,1,0,1,0,0|1,0,1]=4 5474 B7R1.3 CC1CCCCN1 MCULE-9227931620 [0,1,0,1,0,0|1,0,1]=4 5475 B7R1.3 CC1CCCCO1 MCULE-4439683294 [0,1,0,1,0,0|1,0,1]=4 5476 B7R1.3 CC1CCCNC1 MCULE-3344207132 [0,1,0,1,0,0|1,0,1]=4 5477 B7R1.3 CC1CCCNC1 MCULE-5707832183 [0,1,0,1,0,0|1,0,1]=4 5478 B7R1.3 CC1CCCNC1 MCULE-7033850891 [0,1,0,1,0,0|1,0,1]=4 5479 B7R1.3 CC1CCCNC1 MCULE-7153943487 [0,1,0,1,0,0|1,0,1]=4 5480 B7R1.3 CC1CCNCC1 MCULE-5873723365 [0,1,0,1,0,0|1,0,1]=4 5481 B7R1.3 CC1CCNCC1 MCULE-6994675149 [0,1,0,1,0,0|1,0,1]=4 5482 B7R1.3 CC1CCNCC1 MCULE-9043030659 [0,1,0,1,0,0|1,0,1]=4 5483 B7R1.3 CC1CCOCC1 MCULE-8623581625 [0,1,0,1,0,0|0,0,2]=4 5484 B7R1.3 CC1CCOCN1 MCULE-5420262342 [0,1,0,1,0,0|0,0,2]=4 5485 B7R1.3 CC1CCOCO1 MCULE-5013590651 [0,1,0,1,0,0|0,0,2]=4 5486 B7R1.3 CC1CNCCN1 MCULE-2536395443 [0,1,0,1,0,0|1,0,1]=4 5487 B7R1.3 CC1CNCCN1 MCULE-6313957247 [0,1,0,1,0,0|1,0,1]=4 5488 B7R1.3 CC1CNCCO1 MCULE-3071497485 [0,1,0,1,0,0|1,0,1]=4 5489 B7R1.3 CC1CNCCO1 MCULE-7956728736 [0,1,0,1,0,0|1,0,1]=4 5490 B7R1.3 CC1CNCCS1 MCULE-7391261862 [0,1,0,1,0,0|1,0,1]=4 5491 B7R1.3 CC1COCCN1 MCULE-1305824409 [0,1,0,1,0,0|0,0,2]=4 5492 B7R1.3 CC1COCCN1 MCULE-4570632464 [0,1,0,1,0,0|0,0,2]=4 5493 B7R1.3 CC1COCCN1 MCULE-6275555682 [0,1,0,1,0,0|0,0,2]=4 5494 B7R1.3 CC1COCCN1 MCULE-8711024794 [0,1,0,1,0,0|0,0,2]=4 5495 B7R1.3 CC1CSCCN1 MCULE-2923436126 [0,1,0,1,0,0|0,1,1]=4 5496 B7R1.3 CC1NCCCO1 MCULE-2236660860 [0,1,0,1,0,0|2,0,0]=4 5497 B7R1.3 CC1SCCCS1 MCULE-8431698431 [0,1,0,1,0,0|2,0,0]=4 5498 B7R1.3 CN1CC=CCC1 MCULE-1566475259 [0,1,0,1,0,0|2,0,0]=4 5499 B7R1.3 CN1CC=CCC1 MCULE-7879022625 [0,1,0,1,0,0|2,0,0]=4 5500 B7R1.3 C[C@@H]1CCCCN1 MCULE-1372285636 [0,1,0,1,0,0|1,0,1]=4 5501 B7R1.3 C[C@@H]1CCCCN1 MCULE-1676908545 [0,1,0,1,0,0|1,0,1]=4 5502 B7R1.3 C[C@@H]1CCCCN1 MCULE-4298634468 [0,1,0,1,0,0|1,0,1]=4 5503 B7R1.3 C[C@@H]1CCCCN1 MCULE-6629826210 [0,1,0,1,0,0|1,0,1]=4 5504 B7R1.3 C[C@@H]1CCCNC1 MCULE-1079173995 [0,1,0,1,0,0|1,0,1]=4 5505 B7R1.3 C[C@@H]1CCCNC1 MCULE-1230145662 [0,1,0,1,0,0|1,0,1]=4 5506 B7R1.3 C[C@@H]1CCCNC1 MCULE-3423787676 [0,1,0,1,0,0|1,0,1]=4 5507 B7R1.3 C[C@@H]1CCCNC1 MCULE-9303264483 [0,1,0,1,0,0|1,0,1]=4 5508 B7R1.3 C[C@@H]1CNCCN1 MCULE-2959336973 [0,1,0,1,0,0|1,0,1]=4 5509 B7R1.3 C[C@@H]1CNCCN1 MCULE-3870060141 [0,1,0,1,0,0|1,0,1]=4 5510 B7R1.3 C[C@@H]1CNCCN1 MCULE-4214817913 [0,1,0,1,0,0|1,0,1]=4 5511 B7R1.3 C[C@@H]1CNCCN1 MCULE-4368092239 [0,1,0,1,0,0|1,0,1]=4 5512 B7R1.3 C[C@@H]1CNCCO1 MCULE-1787977539 [0,1,0,1,0,0|1,0,1]=4 5513 B7R1.3 C[C@@H]1CNCCO1 MCULE-2608004746 [0,1,0,1,0,0|1,0,1]=4 5514 B7R1.3 C[C@@H]1CNCCO1 MCULE-5447097956 [0,1,0,1,0,0|1,0,1]=4 5515 B7R1.3 C[C@@H]1CNCCO1 MCULE-9396954187 [0,1,0,1,0,0|1,0,1]=4 5516 B7R1.3 C[C@@H]1COCCN1 MCULE-2750151013 [0,1,0,1,0,0|0,0,2]=4 5517 B7R1.3 C[C@@H]1COCCN1 MCULE-4003273424 [0,1,0,1,0,0|0,0,2]=4 5518 B7R1.3 C[C@@H]1COCCN1 MCULE-4627627990 [0,1,0,1,0,0|0,0,2]=4 5519 B7R1.3 C[C@@H]1COCCN1 MCULE-8600287111 [0,1,0,1,0,0|0,0,2]=4 5520 B7R1.3 C[C@@H]1CSCCN1 MCULE-2613889704 [0,1,0,1,0,0|0,1,1]=4 5521 B7R1.3 C[C@H]1CCCCN1 MCULE-3586455704 [0,1,0,1,0,0|1,0,1]=4 5522 B7R1.3 C[C@H]1CCCCN1 MCULE-5638638213 [0,1,0,1,0,0|1,0,1]=4 5523 B7R1.3 C[C@H]1CCCCN1 MCULE-5867717461 [0,1,0,1,0,0|1,0,1]=4 5524 B7R1.3 C[C@H]1CCCCN1 MCULE-7106826493 [0,1,0,1,0,0|1,0,1]=4 5525 B7R1.3 C[C@H]1CCCNC1 MCULE-3372852932 [0,1,0,1,0,0|1,0,1]=4 5526 B7R1.3 C[C@H]1CCCNC1 MCULE-5146147676 [0,1,0,1,0,0|1,0,1]=4 5527 B7R1.3 C[C@H]1CCCNC1 MCULE-7894943546 [0,1,0,1,0,0|1,0,1]=4 5528 B7R1.3 C[C@H]1CCCNC1 MCULE-8016414984 [0,1,0,1,0,0|1,0,1]=4 5529 B7R1.3 C[C@H]1CNCCN1 MCULE-1403559972 [0,1,0,1,0,0|1,0,1]=4 5530 B7R1.3 C[C@H]1CNCCN1 MCULE-5769724060 [0,1,0,1,0,0|1,0,1]=4 5531 B7R1.3 C[C@H]1CNCCO1 MCULE-3158147539 [0,1,0,1,0,0|1,0,1]=4 5532 B7R1.3 C[C@H]1CNCCO1 MCULE-5193705878 [0,1,0,1,0,0|1,0,1]=4 5533 B7R1.3 C[C@H]1CNCCO1 MCULE-8337677707 [0,1,0,1,0,0|1,0,1]=4 5534 B7R1.3 C[C@H]1CNCCO1 MCULE-9425432414 [0,1,0,1,0,0|1,0,1]=4 5535 B7R1.3 C[C@H]1COCCN1 MCULE-1467834624 [0,1,0,1,0,0|0,0,2]=4 5536 B7R1.3 C[C@H]1COCCN1 MCULE-3486079226 [0,1,0,1,0,0|0,0,2]=4 5537 B7R1.3 C[C@H]1COCCN1 MCULE-5726525044 [0,1,0,1,0,0|0,0,2]=4 5538 B7R1.3 C[C@H]1COCCN1 MCULE-9977133603 [0,1,0,1,0,0|0,0,2]=4 5539 B7R1.3 C[C@H]1CSCCN1 MCULE-4076273874 [0,1,0,1,0,0|0,1,1]=4 5540 B7R1.3 ClC1C=CCCC1 MCULE-7233887185 [0,1,0,1,0,0|2,0,0]=4 5541 B7R1.3 NC1C=CCCC1 MCULE-4482857573 [0,1,0,1,0,0|2,0,0]=4 5542 B7R1.3 NC1C=CCCC1 MCULE-5378769676 [0,1,0,1,0,0|2,0,0]=4 5543 B7R1.3 NC1CC=CCC1 MCULE-4040563231 [0,1,0,1,0,0|2,0,0]=4 5544 B7R1.3 NC1CC=CCC1 MCULE-9904098902 [0,1,0,1,0,0|2,0,0]=4 5545 B7R1.3 N[C@@H]1CC=CCC1 MCULE-7764023195 [0,1,0,1,0,0|2,0,0]=4 5546 B7R1.3 N[C@@H]1CC=CCC1 MCULE-7983408030 [0,1,0,1,0,0|2,0,0]=4 5547 B7R1.3 N[C@H]1CC=CCC1 MCULE-2054948922 [0,1,0,1,0,0|2,0,0]=4 5548 B7R1.3 N[C@H]1CC=CCC1 MCULE-6634059436 [0,1,0,1,0,0|2,0,0]=4 5549 B7R1.3 OC1C=CCCC1 MCULE-3255466542 [0,1,0,1,0,0|2,0,0]=4 5550 B7R1.3 OC1C=CCNC1 MCULE-1616136732 [0,1,0,1,0,0|2,0,0]=4 5551 B7R1.3 OC1C=CCNC1 MCULE-6073391464 [0,1,0,1,0,0|2,0,0]=4 5552 B7R1.3 OC1C=CCOC1 MCULE-7810293257 [0,1,0,1,0,0|2,0,0]=4 5553 B7R1.3 OC1CC=CCC1 MCULE-9472259407 [0,1,0,1,0,0|2,0,0]=4 5554 B7R1.3 O[C@H]1C=CCCC1 MCULE-5543899109 [0,1,0,1,0,0|2,0,0]=4 5555 B7R1.4 C1(CCNC1=O)N MCULE-4906952813 [0,1,0,1,0,0|1,0,0]=3 5556 B7R1.4 C1(CCNC1=O)N MCULE-9500853209 [0,1,0,1,0,0|1,0,0]=3 5557 B7R1.4 C=C1CCCC1O MCULE-3026250203 [0,1,0,1,0,0|2,0,0]=4 5558 B7R1.4 C=C1CCNC1=O MCULE-2729105523 [0,1,0,1,0,0|0,0,2]=4 5559 B7R1.4 C=C1CCOC1=O MCULE-5907828600 [0,1,0,1,0,0|0,0,2]=4 5560 B7R1.4 C=C1COCC1N MCULE-4632261286 [0,1,0,1,0,0|2,0,0]=4 5561 B7R1.4 C=C1COCC1N MCULE-7153575301 [0,1,0,1,0,0|2,0,0]=4 5562 B7R1.4 CC1=CCCC1=O MCULE-3713655264 [0,1,0,1,0,0|0,0,1]=3 5563 B7R1.4 CC1=CCOC1=O MCULE-9785490540 [0,1,0,1,0,0|0,0,2]=4 5564 B7R1.4 CC1C=NNC1=O MCULE-2547711142 [0,1,0,1,0,0|1,0,1]=4 5565 B7R1.4 CC1CCCC1=O MCULE-3710290162 [0,1,0,1,0,0|0,0,0]=2 5566 B7R1.4 CC1CCCC1Br MCULE-7816907673 [0,1,0,1,0,0|1,0,1]=4 5567 B7R1.4 CC1CCCC1N MCULE-4318156403 [0,1,0,1,0,0|1,0,1]=4 5568 B7R1.4 CC1CCCC1N MCULE-4434172193 [0,1,0,1,0,0|1,0,1]=4 5569 B7R1.4 CC1CCCC1O MCULE-1288711765 [0,1,0,1,0,0|0,0,2]=4 5570 B7R1.4 CC1CCNC1=O MCULE-7799644249 [0,1,0,1,0,0|0,0,0]=2 5571 B7R1.4 CC1CCNC1C MCULE-2184586167 [0,1,0,1,0,0|1,0,1]=4 5572 B7R1.4 CC1CCOC1=O MCULE-2223078294 [0,1,0,1,0,0|0,0,0]=2 5573 B7R1.4 CC1CNCC1=O MCULE-2728909327 [0,1,0,1,0,0|0,0,0]=2 5574 B7R1.4 CC1CNCC1=O MCULE-9172381840 [0,1,0,1,0,0|0,0,0]=2 5575 B7R1.4 CC1CNCC1C MCULE-5821391512 [0,1,0,1,0,0|1,0,1]=4 5576 B7R1.4 CC1CNCC1C MCULE-6626101399 [0,1,0,1,0,0|1,0,1]=4 5577 B7R1.4 CC1CNCC1F MCULE-4834888455 [0,1,0,1,0,0|1,0,1]=4 5578 B7R1.4 CC1CNCC1F MCULE-7766072724 [0,1,0,1,0,0|1,0,1]=4 5579 B7R1.4 CC1CNCC1N MCULE-2314973615 [0,1,0,1,0,0|1,0,1]=4 5580 B7R1.4 CC1CNCC1N MCULE-8542352354 [0,1,0,1,0,0|1,0,1]=4 5581 B7R1.4 CC1CNCC1O MCULE-3308447861 [0,1,0,1,0,0|0,0,2]=4 5582 B7R1.4 CC1CNCC1O MCULE-8526879323 [0,1,0,1,0,0|0,0,2]=4 5583 B7R1.4 CC1COCC1=O MCULE-8115238635 [0,1,0,1,0,0|0,0,0]=2 5584 B7R1.4 CC1COCC1N MCULE-5453471722 [0,1,0,1,0,0|0,0,2]=4 5585 B7R1.4 CC1COCC1N MCULE-6647217023 [0,1,0,1,0,0|0,0,2]=4 5586 B7R1.4 CC1COCC1O MCULE-5925280081 [0,1,0,1,0,0|0,0,2]=4 5587 B7R1.4 CC1CON=C1N MCULE-8845082604 [0,1,0,1,0,0|2,0,0]=4 5588 B7R1.4 CC1CSCC1=O MCULE-5611423322 [0,1,0,1,0,0|0,0,0]=2 5589 B7R1.4 CC1CSCC1N MCULE-5628200403 [0,1,0,1,0,0|0,1,1]=4 5590 B7R1.4 CC1NCCC1=O MCULE-4206844406 [0,1,0,1,0,0|0,0,0]=2 5591 B7R1.4 CC1NCCC1=O MCULE-7025918222 [0,1,0,1,0,0|0,0,0]=2 5592 B7R1.4 CC1NCCC1O MCULE-7936666458 [0,1,0,1,0,0|0,0,2]=4 5593 B7R1.4 CC1NCCC1O MCULE-8369948926 [0,1,0,1,0,0|0,0,2]=4 5594 B7R1.4 CC1OCCC1=O MCULE-8278816952 [0,1,0,1,0,0|0,0,0]=2 5595 B7R1.4 CC1OCCC1N MCULE-4343663724 [0,1,0,1,0,0|1,0,1]=4 5596 B7R1.4 CC1OCCC1N MCULE-9003879039 [0,1,0,1,0,0|1,0,1]=4 5597 B7R1.4 CC1OCCC1O MCULE-6904695721 [0,1,0,1,0,0|0,0,2]=4 5598 B7R1.4 CC1OCCC1S MCULE-9127694888 [0,1,0,1,0,0|0,1,1]=4 5599 B7R1.4 CC1OCOC1C MCULE-9497186094 [0,1,0,1,0,0|0,0,2]=4 5600 B7R1.4 CC1SCCC1=O MCULE-5264322365 [0,1,0,1,0,0|0,0,0]=2 5601 B7R1.4 CC1SCCC1N MCULE-5160182865 [0,1,0,1,0,0|1,0,1]=4 5602 B7R1.4 CC1SCCC1N MCULE-8827106279 [0,1,0,1,0,0|1,0,1]=4 5603 B7R1.4 CC1SCCC1O MCULE-4342593310 [0,1,0,1,0,0|0,0,2]=4 5604 B7R1.4 CN1CC=CC1=O MCULE-7879549885 [0,1,0,1,0,0|1,0,1]=4 5605 B7R1.4 CN1CCCC1=O MCULE-1381506705 [0,1,0,1,0,0|1,0,0]=3 5606 B7R1.4 CN1CCCC1=S MCULE-1990879544 [0,1,0,1,0,0|1,1,0]=4 5607 B7R1.4 CN1CCN=C1N MCULE-2837197751 [0,1,0,1,0,0|2,0,0]=4 5608 B7R1.4 CN1CCN=C1N MCULE-3453498956 [0,1,0,1,0,0|2,0,0]=4 5609 B7R1.4 CN1CCN=C1N MCULE-5148335318 [0,1,0,1,0,0|2,0,0]=4 5610 B7R1.4 CN1CCNC1=O MCULE-9774864412 [0,1,0,1,0,0|1,0,0]=3 5611 B7R1.4 CN1CCNC1=S MCULE-5960493935 [0,1,0,1,0,0|1,1,0]=4 5612 B7R1.4 CN1CCOC1=O MCULE-7467321799 [0,1,0,1,0,0|1,0,0]=3 5613 B7R1.4 CN1CCSC1=N MCULE-4301061048 [0,1,0,1,0,0|1,1,0]=4 5614 B7R1.4 CN1CCSC1=N MCULE-6525392774 [0,1,0,1,0,0|1,1,0]=4 5615 B7R1.4 CN1CCSC1=S MCULE-4468510205 [0,1,0,1,0,0|1,1,0]=4 5616 B7R1.4 CN1CNCC1=O MCULE-2252466841 [0,1,0,1,0,0|1,0,0]=3 5617 B7R1.4 CN1N=CCC1=O MCULE-2362806196 [0,1,0,1,0,0|1,0,1]=4 5618 B7R1.4 C[C@@H]1CCC[C@@H]1N MCULE-6206070680 [0,1,0,1,0,0|1,0,1]=4 5619 B7R1.4 C[C@@H]1CCC[C@@H]1N MCULE-9964938082 [0,1,0,1,0,0|1,0,1]=4 5620 B7R1.4 C[C@@H]1CCC[C@@H]1O MCULE-2617120620 [0,1,0,1,0,0|0,0,2]=4 5621 B7R1.4 C[C@@H]1CCC[C@H]1N MCULE-8385969474 [0,1,0,1,0,0|1,0,1]=4 5622 B7R1.4 C[C@@H]1CCC[C@H]1O MCULE-3398682980 [0,1,0,1,0,0|0,0,2]=4 5623 B7R1.4 C[C@@H]1CCNC1=O MCULE-1037883660 [0,1,0,1,0,0|0,0,0]=2 5624 B7R1.4 C[C@@H]1CNC[C@@H]1C MCULE-4592161485 [0,1,0,1,0,0|1,0,1]=4 5625 B7R1.4 C[C@@H]1CNC[C@@H]1C MCULE-5506149631 [0,1,0,1,0,0|1,0,1]=4 5626 B7R1.4 C[C@@H]1CNC[C@@H]1F MCULE-4204399527 [0,1,0,1,0,0|1,0,1]=4 5627 B7R1.4 C[C@@H]1CNC[C@@H]1F MCULE-8451199903 [0,1,0,1,0,0|1,0,1]=4 5628 B7R1.4 C[C@@H]1CNC[C@@H]1N MCULE-2290594563 [0,1,0,1,0,0|1,0,1]=4 5629 B7R1.4 C[C@@H]1CNC[C@@H]1N MCULE-2611807697 [0,1,0,1,0,0|1,0,1]=4 5630 B7R1.4 C[C@@H]1CNC[C@@H]1N MCULE-3707409979 [0,1,0,1,0,0|1,0,1]=4 5631 B7R1.4 C[C@@H]1CNC[C@@H]1N MCULE-4317636252 [0,1,0,1,0,0|1,0,1]=4 5632 B7R1.4 C[C@@H]1CNC[C@@H]1O MCULE-2015388080 [0,1,0,1,0,0|0,0,2]=4 5633 B7R1.4 C[C@@H]1CNC[C@@H]1O MCULE-3625149028 [0,1,0,1,0,0|0,0,2]=4 5634 B7R1.4 C[C@@H]1CNC[C@@H]1O MCULE-5773404554 [0,1,0,1,0,0|0,0,2]=4 5635 B7R1.4 C[C@@H]1CNC[C@@H]1O MCULE-6014391902 [0,1,0,1,0,0|0,0,2]=4 5636 B7R1.4 C[C@@H]1CNC[C@@H]1O MCULE-6476104556 [0,1,0,1,0,0|0,0,2]=4 5637 B7R1.4 C[C@@H]1CNC[C@@H]1O MCULE-6537028059 [0,1,0,1,0,0|0,0,2]=4 5638 B7R1.4 C[C@@H]1CNC[C@H]1C MCULE-2567871968 [0,1,0,1,0,0|1,0,1]=4 5639 B7R1.4 C[C@@H]1CNC[C@H]1C MCULE-5626188867 [0,1,0,1,0,0|1,0,1]=4 5640 B7R1.4 C[C@@H]1CNC[C@H]1C MCULE-7438009663 [0,1,0,1,0,0|1,0,1]=4 5641 B7R1.4 C[C@@H]1CNC[C@H]1C MCULE-8649896095 [0,1,0,1,0,0|1,0,1]=4 5642 B7R1.4 C[C@@H]1CNC[C@H]1O MCULE-4207581523 [0,1,0,1,0,0|0,0,2]=4 5643 B7R1.4 C[C@@H]1CNC[C@H]1O MCULE-6158474994 [0,1,0,1,0,0|0,0,2]=4 5644 B7R1.4 C[C@@H]1CNC[C@H]1O MCULE-7380960276 [0,1,0,1,0,0|0,0,2]=4 5645 B7R1.4 C[C@@H]1CNC[C@H]1O MCULE-7589629864 [0,1,0,1,0,0|0,0,2]=4 5646 B7R1.4 C[C@@H]1COC[C@@H]1O MCULE-3198029643 [0,1,0,1,0,0|0,0,2]=4 5647 B7R1.4 C[C@@H]1COC[C@H]1N MCULE-1145772262 [0,1,0,1,0,0|0,0,2]=4 5648 B7R1.4 C[C@@H]1COC[C@H]1N MCULE-6639849267 [0,1,0,1,0,0|0,0,2]=4 5649 B7R1.4 C[C@@H]1COC[C@H]1N MCULE-9659959713 [0,1,0,1,0,0|0,0,2]=4 5650 B7R1.4 C[C@@H]1COC[C@H]1O MCULE-1967963278 [0,1,0,1,0,0|0,0,2]=4 5651 B7R1.4 C[C@@H]1NCC[C@@H]1O MCULE-1705265213 [0,1,0,1,0,0|0,0,2]=4 5652 B7R1.4 C[C@@H]1NCC[C@@H]1O MCULE-3395898129 [0,1,0,1,0,0|0,0,2]=4 5653 B7R1.4 C[C@@H]1NCC[C@@H]1O MCULE-5909894286 [0,1,0,1,0,0|0,0,2]=4 5654 B7R1.4 C[C@@H]1NCC[C@@H]1O MCULE-9998480727 [0,1,0,1,0,0|0,0,2]=4 5655 B7R1.4 C[C@@H]1NCC[C@H]1O MCULE-1101330824 [0,1,0,1,0,0|0,0,2]=4 5656 B7R1.4 C[C@@H]1NCC[C@H]1O MCULE-3326131093 [0,1,0,1,0,0|0,0,2]=4 5657 B7R1.4 C[C@@H]1NCC[C@H]1O MCULE-3941456644 [0,1,0,1,0,0|0,0,2]=4 5658 B7R1.4 C[C@@H]1NCC[C@H]1O MCULE-8944150043 [0,1,0,1,0,0|0,0,2]=4 5659 B7R1.4 C[C@@H]1OCC[C@H]1N MCULE-5910807847 [0,1,0,1,0,0|1,0,1]=4 5660 B7R1.4 C[C@@H]1OCC[C@H]1N MCULE-7586038907 [0,1,0,1,0,0|1,0,1]=4 5661 B7R1.4 C[C@H]1CCC[C@@H]1N MCULE-4150988023 [0,1,0,1,0,0|1,0,1]=4 5662 B7R1.4 C[C@H]1CCC[C@@H]1O MCULE-5212653059 [0,1,0,1,0,0|0,0,2]=4 5663 B7R1.4 C[C@H]1CCC[C@@H]1O MCULE-7997646273 [0,1,0,1,0,0|0,0,2]=4 5664 B7R1.4 C[C@H]1CCC[C@H]1N MCULE-3329868072 [0,1,0,1,0,0|1,0,1]=4 5665 B7R1.4 C[C@H]1CCC[C@H]1N MCULE-4186145172 [0,1,0,1,0,0|1,0,1]=4 5666 B7R1.4 C[C@H]1CCC[C@H]1O MCULE-3291842365 [0,1,0,1,0,0|0,0,2]=4 5667 B7R1.4 C[C@H]1CCC[C@H]1O MCULE-7570125274 [0,1,0,1,0,0|0,0,2]=4 5668 B7R1.4 C[C@H]1CCNC1=O MCULE-9500360544 [0,1,0,1,0,0|0,0,0]=2 5669 B7R1.4 C[C@H]1CCN[C@@H]1C MCULE-7622265949 [0,1,0,1,0,0|1,0,1]=4 5670 B7R1.4 C[C@H]1CCN[C@@H]1C MCULE-7686056776 [0,1,0,1,0,0|1,0,1]=4 5671 B7R1.4 C[C@H]1CNC[C@@H]1C MCULE-2214344957 [0,1,0,1,0,0|1,0,1]=4 5672 B7R1.4 C[C@H]1CNC[C@@H]1C MCULE-2877312650 [0,1,0,1,0,0|1,0,1]=4 5673 B7R1.4 C[C@H]1CNC[C@@H]1O MCULE-2282810666 [0,1,0,1,0,0|0,0,2]=4 5674 B7R1.4 C[C@H]1CNC[C@@H]1O MCULE-2772361871 [0,1,0,1,0,0|0,0,2]=4 5675 B7R1.4 C[C@H]1CNC[C@@H]1O MCULE-3274154422 [0,1,0,1,0,0|0,0,2]=4 5676 B7R1.4 C[C@H]1CNC[C@@H]1O MCULE-3608199633 [0,1,0,1,0,0|0,0,2]=4 5677 B7R1.4 C[C@H]1CNC[C@H]1N MCULE-6069899229 [0,1,0,1,0,0|1,0,1]=4 5678 B7R1.4 C[C@H]1CNC[C@H]1N MCULE-8539137579 [0,1,0,1,0,0|1,0,1]=4 5679 B7R1.4 C[C@H]1CNC[C@H]1O MCULE-1988679936 [0,1,0,1,0,0|0,0,2]=4 5680 B7R1.4 C[C@H]1CNC[C@H]1O MCULE-3451477960 [0,1,0,1,0,0|0,0,2]=4 5681 B7R1.4 C[C@H]1CNC[C@H]1O MCULE-4396463600 [0,1,0,1,0,0|0,0,2]=4 5682 B7R1.4 C[C@H]1CNC[C@H]1O MCULE-7975653844 [0,1,0,1,0,0|0,0,2]=4 5683 B7R1.4 C[C@H]1COC[C@@H]1O MCULE-3765921602 [0,1,0,1,0,0|0,0,2]=4 5684 B7R1.4 C[C@H]1COC[C@@H]1O MCULE-5201903195 [0,1,0,1,0,0|0,0,2]=4 5685 B7R1.4 C[C@H]1COC[C@H]1O MCULE-2974083166 [0,1,0,1,0,0|0,0,2]=4 5686 B7R1.4 C[C@H]1COC[C@H]1O MCULE-6725207001 [0,1,0,1,0,0|0,0,2]=4 5687 B7R1.4 C[C@H]1NCC[C@@H]1O MCULE-5499798144 [0,1,0,1,0,0|0,0,2]=4 5688 B7R1.4 C[C@H]1NCC[C@@H]1O MCULE-7401004387 [0,1,0,1,0,0|0,0,2]=4 5689 B7R1.4 C[C@H]1NCC[C@H]1O MCULE-7469942077 [0,1,0,1,0,0|0,0,2]=4 5690 B7R1.4 C[C@H]1NCC[C@H]1O MCULE-9976903585 [0,1,0,1,0,0|0,0,2]=4 5691 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-1432785321 [0,1,0,1,0,0|1,0,1]=4 5692 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-3008045787 [0,1,0,1,0,0|1,0,1]=4 5693 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-7656776924 [0,1,0,1,0,0|1,0,1]=4 5694 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-8087379612 [0,1,0,1,0,0|1,0,1]=4 5695 B7R1.4 NC1CCCC1=O MCULE-3654949473 [0,1,0,1,0,0|1,0,0]=3 5696 B7R1.4 NC1CCCC1=O MCULE-6579965788 [0,1,0,1,0,0|1,0,0]=3 5697 B7R1.4 NC1CCNC1=O MCULE-2061829370 [0,1,0,1,0,0|1,0,0]=3 5698 B7R1.4 NC1CCNC1=O MCULE-4272585488 [0,1,0,1,0,0|1,0,0]=3 5699 B7R1.4 NC1CCOC1=O MCULE-1011670330 [0,1,0,1,0,0|1,0,0]=3 5700 B7R1.4 NC1CCOC1=O MCULE-1366805966 [0,1,0,1,0,0|1,0,0]=3 5701 B7R1.4 NC1CCOC1=O MCULE-1874490478 [0,1,0,1,0,0|1,0,0]=3 5702 B7R1.4 NC1CCOC1=O MCULE-4434379753 [0,1,0,1,0,0|1,0,0]=3 5703 B7R1.4 NC1CCOC1=O MCULE-7302633352 [0,1,0,1,0,0|1,0,0]=3 5704 B7R1.4 NC1CCOC1=O MCULE-8009953591 [0,1,0,1,0,0|1,0,0]=3 5705 B7R1.4 NC1CCSC1=O MCULE-5181497015 [0,1,0,1,0,0|1,0,0]=3 5706 B7R1.4 NC1CCSC1=O MCULE-8775141567 [0,1,0,1,0,0|1,0,0]=3 5707 B7R1.4 NC1CONC1=O MCULE-3118867985 [0,1,0,1,0,0|2,0,0]=4 5708 B7R1.4 NC1CONC1=O MCULE-3159218372 [0,1,0,1,0,0|2,0,0]=4 5709 B7R1.4 NN1CCCC1=O MCULE-2994786381 [0,1,0,1,0,0|2,0,0]=4 5710 B7R1.4 NN1CCCC1=O MCULE-5599329775 [0,1,0,1,0,0|2,0,0]=4 5711 B7R1.4 NN1CCNC1=O MCULE-9094725216 [0,1,0,1,0,0|2,0,0]=4 5712 B7R1.4 NN1CCOC1=O MCULE-7407834106 [0,1,0,1,0,0|2,0,0]=4 5713 B7R1.4 NN1CCOC1=O MCULE-8091613930 [0,1,0,1,0,0|2,0,0]=4 5714 B7R1.4 N[C@@H]1CCNC1=O MCULE-2357766642 [0,1,0,1,0,0|1,0,0]=3 5715 B7R1.4 N[C@@H]1CCNC1=O MCULE-9089591546 [0,1,0,1,0,0|1,0,0]=3 5716 B7R1.4 N[C@@H]1CCNC1=O MCULE-9558758567 [0,1,0,1,0,0|1,0,0]=3 5717 B7R1.4 N[C@@H]1CCNC1=O MCULE-9668255740 [0,1,0,1,0,0|1,0,0]=3 5718 B7R1.4 N[C@@H]1CCOC1=O MCULE-1027751896 [0,1,0,1,0,0|1,0,0]=3 5719 B7R1.4 N[C@@H]1CCOC1=O MCULE-4034349263 [0,1,0,1,0,0|1,0,0]=3 5720 B7R1.4 N[C@@H]1CCOC1=O MCULE-8790782772 [0,1,0,1,0,0|1,0,0]=3 5721 B7R1.4 N[C@@H]1CCOC1=O MCULE-9300265861 [0,1,0,1,0,0|1,0,0]=3 5722 B7R1.4 N[C@@H]1CCSC1=O MCULE-1269968791 [0,1,0,1,0,0|1,0,0]=3 5723 B7R1.4 N[C@@H]1CCSC1=O MCULE-5374422420 [0,1,0,1,0,0|1,0,0]=3 5724 B7R1.4 N[C@@H]1CCSC1=O MCULE-8203732076 [0,1,0,1,0,0|1,0,0]=3 5725 B7R1.4 N[C@@H]1CCSC1=O MCULE-8418670804 [0,1,0,1,0,0|1,0,0]=3 5726 B7R1.4 N[C@@H]1CONC1=O MCULE-4212827696 [0,1,0,1,0,0|2,0,0]=4 5727 B7R1.4 N[C@@H]1CONC1=O MCULE-6014142329 [0,1,0,1,0,0|2,0,0]=4 5728 B7R1.4 N[C@H]1CCNC1=O MCULE-2327147408 [0,1,0,1,0,0|1,0,0]=3 5729 B7R1.4 N[C@H]1CCNC1=O MCULE-2923469662 [0,1,0,1,0,0|1,0,0]=3 5730 B7R1.4 N[C@H]1CCNC1=O MCULE-5882745021 [0,1,0,1,0,0|1,0,0]=3 5731 B7R1.4 N[C@H]1CCNC1=O MCULE-7846724738 [0,1,0,1,0,0|1,0,0]=3 5732 B7R1.4 N[C@H]1CCOC1=O MCULE-4393293388 [0,1,0,1,0,0|1,0,0]=3 5733 B7R1.4 N[C@H]1CCOC1=O MCULE-4751602783 [0,1,0,1,0,0|1,0,0]=3 5734 B7R1.4 N[C@H]1CCOC1=O MCULE-7924572479 [0,1,0,1,0,0|1,0,0]=3 5735 B7R1.4 N[C@H]1CCOC1=O MCULE-8545644747 [0,1,0,1,0,0|1,0,0]=3 5736 B7R1.4 N[C@H]1CCOC1=O MCULE-8634641228 [0,1,0,1,0,0|1,0,0]=3 5737 B7R1.4 N[C@H]1CCSC1=O MCULE-4497814170 [0,1,0,1,0,0|1,0,0]=3 5738 B7R1.4 N[C@H]1CCSC1=O MCULE-6209097230 [0,1,0,1,0,0|1,0,0]=3 5739 B7R1.4 N[C@H]1CCSC1=O MCULE-6419348515 [0,1,0,1,0,0|1,0,0]=3 5740 B7R1.4 N[C@H]1CCSC1=O MCULE-9091827364 [0,1,0,1,0,0|1,0,0]=3 5741 B7R1.4 N[C@H]1CONC1=O MCULE-4286940154 [0,1,0,1,0,0|2,0,0]=4 5742 B7R1.4 N[C@H]1CONC1=O MCULE-9925977120 [0,1,0,1,0,0|2,0,0]=4 5743 B7R1.4 O=C1CCC=C1Br MCULE-1509582125 [0,1,0,1,0,0|1,0,1]=4 5744 B7R1.4 O=C1CCC=C1I MCULE-2710048446 [0,1,0,1,0,0|1,0,1]=4 5745 B7R1.4 O=C1CCC=C1O MCULE-8745661989 [0,1,0,1,0,0|1,0,1]=4 5746 B7R1.4 O=C1CCCC1=O MCULE-8040167119 [0,1,0,1,0,0|1,0,1]=4 5747 B7R1.4 O=C1CCCC1Br MCULE-3651373380 [0,1,0,1,0,0|1,0,0]=3 5748 B7R1.4 O=C1CCCC1Cl MCULE-7745647260 [0,1,0,1,0,0|1,0,0]=3 5749 B7R1.4 O=C1CCCC1F MCULE-8001765295 [0,1,0,1,0,0|1,0,0]=3 5750 B7R1.4 O=C1CCCC1O MCULE-6795188798 [0,1,0,1,0,0|1,0,0]=3 5751 B7R1.4 O=C1CCNC1=O MCULE-6243503430 [0,1,0,1,0,0|1,0,1]=4 5752 B7R1.4 O=C1NCCC1Br MCULE-5321265801 [0,1,0,1,0,0|1,0,0]=3 5753 B7R1.4 O=C1NCCC1Cl MCULE-1663035789 [0,1,0,1,0,0|1,0,0]=3 5754 B7R1.4 O=C1NCCC1F MCULE-2209899044 [0,1,0,1,0,0|1,0,0]=3 5755 B7R1.4 O=C1NCCC1O MCULE-8818841339 [0,1,0,1,0,0|1,0,0]=3 5756 B7R1.4 O=C1NCCC1O MCULE-9662824811 [0,1,0,1,0,0|1,0,0]=3 5757 B7R1.4 O=C1NCC[C@@H]1O MCULE-3212474164 [0,1,0,1,0,0|1,0,0]=3 5758 B7R1.4 O=C1NCC[C@@H]1O MCULE-7816291255 [0,1,0,1,0,0|1,0,0]=3 5759 B7R1.4 O=C1NCC[C@H]1O MCULE-1281835510 [0,1,0,1,0,0|1,0,0]=3 5760 B7R1.4 O=C1NCC[C@H]1O MCULE-6809356348 [0,1,0,1,0,0|1,0,0]=3 5761 B7R1.4 O=C1OCCC1Br MCULE-8316114331 [0,1,0,1,0,0|1,0,0]=3 5762 B7R1.4 O=C1OCCC1O MCULE-2144002601 [0,1,0,1,0,0|1,0,0]=3 5763 B7R1.4 O=C1OCCC1S MCULE-2130434062 [0,1,0,1,0,0|1,0,0]=3 5764 B7R1.4 O=C1OCC[C@@H]1O MCULE-7764011790 [0,1,0,1,0,0|1,0,0]=3 5765 B7R1.4 O=C1OCC[C@@H]1O MCULE-9001729998 [0,1,0,1,0,0|1,0,0]=3 5766 B7R1.4 O=C1OCC[C@H]1O MCULE-6949645282 [0,1,0,1,0,0|1,0,0]=3 5767 B7R1.4 O=C1OCC[C@H]1O MCULE-7110242636 [0,1,0,1,0,0|1,0,0]=3 5768 B7R1.4 OC1CCC=C1Br MCULE-2577502971 [0,1,0,1,0,0|2,0,0]=4 5769 B7R1.4 [C@@H]1(CCC[C@H]1N)C MCULE-2430440513 [0,1,0,1,0,0|1,0,1]=4 5770 B7R1.4 [C@@H]1(CCC[C@H]1N)C MCULE-8503171996 [0,1,0,1,0,0|1,0,1]=4 5771 B7R1.4 [C@H]1(COC[C@H]1N)C MCULE-5920046767 [0,1,0,1,0,0|0,0,2]=4 5772 B7R1.4 [C@H]1(COC[C@H]1N)C MCULE-6282053067 [0,1,0,1,0,0|0,0,2]=4 5773 B7R1.4 [C@H]1(COC[C@H]1N)C MCULE-8432332245 [0,1,0,1,0,0|0,0,2]=4 5774 B7R1.4 [NH3+][C@H]1CCOC1=O MCULE-8903471982 [0,1,0,1,0,0|1,0,0]=3 5775 B7R1.5 CC1CC1N=C=O MCULE-2439771505 [0,1,0,1,0,0|0,0,1]=3 5776 B7R1.5 CCCC1CC1N MCULE-6204339829 [0,1,0,1,0,0|1,0,1]=4 5777 B7R1.5 CCOC1CC1N MCULE-1141331549 [0,1,0,1,0,0|1,0,1]=4 5778 B7R1.5 CNCC1CC1C MCULE-9748636910 [0,1,0,1,0,0|1,0,1]=4 5779 B7R1.6 BrCC=C1CCC1 MCULE-3837147249 [0,1,0,1,0,0|1,0,1]=4 5780 B7R1.6 BrCCC1CCC1 MCULE-8124070706 [0,1,0,1,0,0|1,0,1]=4 5781 B7R1.6 BrCCC1CCO1 MCULE-2777479085 [0,1,0,1,0,0|2,0,0]=4 5782 B7R1.6 BrCCC1COC1 MCULE-8858681111 [0,1,0,1,0,0|0,0,2]=4 5783 B7R1.6 C1(CCN1)COC MCULE-6891607313 [0,1,0,1,0,0|2,0,0]=4 5784 B7R1.6 C=CCC1CNC1 MCULE-2499763329 [0,1,0,1,0,0|2,0,0]=4 5785 B7R1.6 C=CCC1CNC1 MCULE-7063989348 [0,1,0,1,0,0|2,0,0]=4 5786 B7R1.6 CCCC1CCN1 MCULE-7330412999 [0,1,0,1,0,0|2,0,0]=4 5787 B7R1.6 CCCC1CNC1 MCULE-4374477641 [0,1,0,1,0,0|1,0,1]=4 5788 B7R1.6 CCCC1CNC1 MCULE-8036298863 [0,1,0,1,0,0|1,0,1]=4 5789 B7R1.6 CCNC1CCC1 MCULE-2055959297 [0,1,0,1,0,0|1,0,1]=4 5790 B7R1.6 CCNC1CCC1 MCULE-2989731173 [0,1,0,1,0,0|1,0,1]=4 5791 B7R1.6 CCNC1CNC1 MCULE-3810334615 [0,1,0,1,0,0|1,0,1]=4 5792 B7R1.6 CCNC1CNC1 MCULE-3811754191 [0,1,0,1,0,0|1,0,1]=4 5793 B7R1.6 CCNC1COC1 MCULE-6357248771 [0,1,0,1,0,0|0,0,2]=4 5794 B7R1.6 CCNC1COC1 MCULE-8144856469 [0,1,0,1,0,0|0,0,2]=4 5795 B7R1.6 CCOC1CNC1 MCULE-5408347465 [0,1,0,1,0,0|1,0,1]=4 5796 B7R1.6 CCOC1CNC1 MCULE-5853062591 [0,1,0,1,0,0|1,0,1]=4 5797 B7R1.6 CCOC1CNC1 MCULE-7457457501 [0,1,0,1,0,0|1,0,1]=4 5798 B7R1.6 CCOC1CNC1 MCULE-9277972796 [0,1,0,1,0,0|1,0,1]=4 5799 B7R1.6 CNCC1CCC1 MCULE-3632390845 [0,1,0,1,0,0|1,0,1]=4 5800 B7R1.6 CNCC1CCC1 MCULE-4932211047 [0,1,0,1,0,0|1,0,1]=4 5801 B7R1.6 CNCC1CCO1 MCULE-5990606434 [0,1,0,1,0,0|2,0,0]=4 5802 B7R1.6 CNCC1CNC1 MCULE-3335619423 [0,1,0,1,0,0|1,0,1]=4 5803 B7R1.6 CNCC1COC1 MCULE-9048388624 [0,1,0,1,0,0|0,0,2]=4 5804 B7R1.6 COCC1CCN1 MCULE-3275131561 [0,1,0,1,0,0|2,0,0]=4 5805 B7R1.6 COCC1CCN1 MCULE-4183304984 [0,1,0,1,0,0|2,0,0]=4 5806 B7R1.6 COCC1CCN1 MCULE-7159192750 [0,1,0,1,0,0|2,0,0]=4 5807 B7R1.6 COCC1CNC1 MCULE-4967592714 [0,1,0,1,0,0|1,0,1]=4 5808 B7R1.6 COCC1CNC1 MCULE-6804867712 [0,1,0,1,0,0|1,0,1]=4 5809 B7R1.6 COCC1CNC1 MCULE-9862500955 [0,1,0,1,0,0|1,0,1]=4 5810 B7R1.6 COC[C@@H]1CCN1 MCULE-2241257059 [0,1,0,1,0,0|2,0,0]=4 5811 B7R1.6 COC[C@@H]1CCN1 MCULE-4677436919 [0,1,0,1,0,0|2,0,0]=4 5812 B7R1.6 COC[C@@H]1CCN1 MCULE-5280330847 [0,1,0,1,0,0|2,0,0]=4 5813 B7R1.6 COC[C@@H]1CCN1 MCULE-9466463613 [0,1,0,1,0,0|2,0,0]=4 5814 B7R1.6 COC[C@H]1CCN1 MCULE-7456820187 [0,1,0,1,0,0|2,0,0]=4 5815 B7R1.6 COC[C@H]1CCN1 MCULE-7652894052 [0,1,0,1,0,0|2,0,0]=4 5816 B7R1.6 ClCOC1CCC1 MCULE-3275885126 [0,1,0,1,0,0|1,0,1]=4 5817 B7R1.6 ICCC1CCO1 MCULE-3778448773 [0,1,0,1,0,0|2,0,0]=4 5818 B7R1.6 ICCC1COC1 MCULE-6063305860 [0,1,0,1,0,0|0,0,2]=4 5819 B7R1.6 N#CC=C1CCC1 MCULE-8224547587 [0,1,0,1,0,0|1,0,1]=4 5820 B7R1.6 N#CCC1CCC1 MCULE-6463664417 [0,1,0,1,0,0|1,0,1]=4 5821 B7R1.6 N#N=NC1CCC1 MCULE-5083325681 [0,1,0,1,0,0|2,0,0]=4 5822 B7R1.6 NCCC1CCC1 MCULE-2620603238 [0,1,0,1,0,0|1,0,1]=4 5823 B7R1.6 NCCC1CCC1 MCULE-8653518690 [0,1,0,1,0,0|1,0,1]=4 5824 B7R1.6 NCCC1CCO1 MCULE-3619983020 [0,1,0,1,0,0|2,0,0]=4 5825 B7R1.6 NCCC1CNC1 MCULE-7195412134 [0,1,0,1,0,0|1,0,1]=4 5826 B7R1.6 NCCC1COC1 MCULE-6363254952 [0,1,0,1,0,0|0,0,2]=4 5827 B7R1.6 NCCC1COC1 MCULE-6907504739 [0,1,0,1,0,0|0,0,2]=4 5828 B7R1.6 NCCC1CSC1 MCULE-5034757527 [0,1,0,1,0,0|0,1,1]=4 5829 B7R1.6 NCC[C@@H]1CCO1 MCULE-5442768835 [0,1,0,1,0,0|2,0,0]=4 5830 B7R1.6 NNCC1CCC1 MCULE-1501882161 [0,1,0,1,0,0|1,0,1]=4 5831 B7R1.6 NNCC1CCC1 MCULE-2534970700 [0,1,0,1,0,0|1,0,1]=4 5832 B7R1.6 NNCC1CCC1 MCULE-3026467418 [0,1,0,1,0,0|1,0,1]=4 5833 B7R1.6 NOCC1CCC1 MCULE-1477129462 [0,1,0,1,0,0|0,0,2]=4 5834 B7R1.6 NOCC1CCC1 MCULE-7638467520 [0,1,0,1,0,0|0,0,2]=4 5835 B7R1.6 O=C=NC1CCC1 MCULE-9904450065 [0,1,0,1,0,0|0,0,1]=3 5836 B7R1.6 O=CC=C1COC1 MCULE-3826519058 [0,1,0,1,0,0|1,0,1]=4 5837 B7R1.6 O=CCC1CCC1 MCULE-6234957728 [0,1,0,1,0,0|0,0,0]=2 5838 B7R1.6 O=CCC1COC1 MCULE-3070858256 [0,1,0,1,0,0|1,0,0]=3 5839 B7R1.6 OCCC1CCC1 MCULE-1014969390 [0,1,0,1,0,0|0,0,2]=4 5840 B7R1.6 OCCC1CCN1 MCULE-4368379502 [0,1,0,1,0,0|2,0,0]=4 5841 B7R1.6 OCCC1CCO1 MCULE-3323265996 [0,1,0,1,0,0|2,0,0]=4 5842 B7R1.6 OCCC1CNC1 MCULE-1975411420 [0,1,0,1,0,0|1,0,1]=4 5843 B7R1.6 OCCC1CNC1 MCULE-4993890888 [0,1,0,1,0,0|1,0,1]=4 5844 B7R1.6 OCCC1COC1 MCULE-2515762048 [0,1,0,1,0,0|0,0,2]=4 5845 B7R1.6 OCC[C@@H]1CCN1 MCULE-9567198532 [0,1,0,1,0,0|2,0,0]=4 5846 B7R1.6 OCC[C@@H]1CCO1 MCULE-6606073727 [0,1,0,1,0,0|2,0,0]=4 5847 B7R1.6 OCC[C@H]1CCN1 MCULE-7385668340 [0,1,0,1,0,0|2,0,0]=4 5848 B7R1.6 OCC[C@H]1CCO1 MCULE-4848994972 [0,1,0,1,0,0|2,0,0]=4 5849 B7R1.6 OCC[C@H]1CCO1 MCULE-9787306242 [0,1,0,1,0,0|2,0,0]=4 5850 B7R1.6 S=C=NC1CCC1 MCULE-1836653193 [0,1,0,1,0,0|0,1,1]=4 5851 B7R1.8 CC1CCC1C=O MCULE-9541644884 [0,1,0,1,0,0|0,0,0]=2 5852 B7R1.8 CC1CCC1CO MCULE-4677269341 [0,1,0,1,0,0|0,0,2]=4 5853 B7R1.8 CC1NCC1C#N MCULE-4737687321 [0,1,0,1,0,0|1,0,1]=4 5854 B7R1.8 CC1NCC1C#N MCULE-5845745422 [0,1,0,1,0,0|1,0,1]=4 5855 B7R1.8 CCC1CCC1=O MCULE-5109615435 [0,1,0,1,0,0|0,0,0]=2 5856 B7R1.8 CN1CCC1CN MCULE-2100632643 [0,1,0,1,0,0|1,0,1]=4 5857 B7R1.8 CN1CCC1CN MCULE-3660614289 [0,1,0,1,0,0|1,0,1]=4 5858 B7R1.8 CN1CCC1CN MCULE-3692131671 [0,1,0,1,0,0|1,0,1]=4 5859 B7R1.8 CN1CCC1CN MCULE-7629527689 [0,1,0,1,0,0|1,0,1]=4 5860 B7R1.8 CN1CCC1CO MCULE-3475629266 [0,1,0,1,0,0|0,0,2]=4 5861 B7R1.8 CN1CC[C@@H]1CN MCULE-3688982926 [0,1,0,1,0,0|1,0,1]=4 5862 B7R1.8 CN1CC[C@@H]1CN MCULE-5002925247 [0,1,0,1,0,0|1,0,1]=4 5863 B7R1.8 CN1CC[C@@H]1CN MCULE-7546481794 [0,1,0,1,0,0|1,0,1]=4 5864 B7R1.8 CN1CC[C@@H]1CO MCULE-2590783241 [0,1,0,1,0,0|0,0,2]=4 5865 B7R1.8 CN1CC[C@@H]1CO MCULE-9683847113 [0,1,0,1,0,0|0,0,2]=4 5866 B7R1.8 CN1CC[C@H]1CN MCULE-1178047911 [0,1,0,1,0,0|1,0,1]=4 5867 B7R1.8 CN1CC[C@H]1CN MCULE-1250398573 [0,1,0,1,0,0|1,0,1]=4 5868 B7R1.8 CN1CC[C@H]1CN MCULE-2733818158 [0,1,0,1,0,0|1,0,1]=4 5869 B7R1.8 CN1CC[C@H]1CN MCULE-4100743401 [0,1,0,1,0,0|1,0,1]=4 5870 B7R1.8 CN1CC[C@H]1CN MCULE-4459814320 [0,1,0,1,0,0|1,0,1]=4 5871 B7R1.8 CN1CC[C@H]1CN MCULE-4703409645 [0,1,0,1,0,0|1,0,1]=4 5872 B7R1.8 CN1CC[C@H]1CN MCULE-6317046346 [0,1,0,1,0,0|1,0,1]=4 5873 B7R1.8 CN1CC[C@H]1CN MCULE-7413844263 [0,1,0,1,0,0|1,0,1]=4 5874 B7R1.8 CN1CC[C@H]1CO MCULE-6507300625 [0,1,0,1,0,0|0,0,2]=4 5875 B7R1.8 CN1CC[C@H]1CO MCULE-9641004134 [0,1,0,1,0,0|0,0,2]=4 5876 B7R1.8 CN[C@H]1CC[C@@H]1O MCULE-4638367588 [0,1,0,1,0,0|0,0,2]=4 5877 B7R1.8 COC1CCC1=O MCULE-6511996246 [0,1,0,1,0,0|0,0,0]=2 5878 B7R1.8 COC1CCC1N MCULE-4537411385 [0,1,0,1,0,0|1,0,1]=4 5879 B7R1.8 COC1CCC1N MCULE-6423037026 [0,1,0,1,0,0|1,0,1]=4 5880 B7R1.8 CO[C@@H]1CC[C@@H]1N MCULE-3087283983 [0,1,0,1,0,0|1,0,1]=4 5881 B7R1.8 CO[C@@H]1CC[C@@H]1N MCULE-8723342484 [0,1,0,1,0,0|1,0,1]=4 5882 B7R1.8 CO[C@@H]1CC[C@H]1N MCULE-1324573121 [0,1,0,1,0,0|1,0,1]=4 5883 B7R1.8 CO[C@@H]1CC[C@H]1N MCULE-4430321170 [0,1,0,1,0,0|1,0,1]=4 5884 B7R1.8 CO[C@@H]1CC[C@H]1N MCULE-4876260929 [0,1,0,1,0,0|1,0,1]=4 5885 B7R1.8 CO[C@@H]1CC[C@H]1N MCULE-5060858396 [0,1,0,1,0,0|1,0,1]=4 5886 B7R1.8 CO[C@@H]1CC[C@H]1N MCULE-5711735047 [0,1,0,1,0,0|1,0,1]=4 5887 B7R1.8 CO[C@@H]1CC[C@H]1N MCULE-9952102635 [0,1,0,1,0,0|1,0,1]=4 5888 B7R1.8 CO[C@H]1CC[C@@H]1N MCULE-2991866514 [0,1,0,1,0,0|1,0,1]=4 5889 B7R1.8 CO[C@H]1CC[C@@H]1N MCULE-9729569658 [0,1,0,1,0,0|1,0,1]=4 5890 B7R1.8 CO[C@H]1CC[C@H]1N MCULE-9859722305 [0,1,0,1,0,0|1,0,1]=4 5891 B7R1.8 CO[C@H]1CC[C@H]1N MCULE-9948570347 [0,1,0,1,0,0|1,0,1]=4 5892 B7R1.8 CSC1CCC1=O MCULE-3892720319 [0,1,0,1,0,0|0,0,0]=2 5893 B7R1.8 N#CC1CCC1=O MCULE-3371494435 [0,1,0,1,0,0|0,0,1]=3 5894 B7R1.8 NCC1CCC1F MCULE-6621673772 [0,1,0,1,0,0|1,0,1]=4 5895 B7R1.8 NCC1CCC1F MCULE-8982565541 [0,1,0,1,0,0|1,0,1]=4 5896 B7R1.8 O=C1CCC1CO MCULE-5501600764 [0,1,0,1,0,0|0,0,0]=2 5897 B7R1.8 O=C1CC[C@@H]1CO MCULE-9840363539 [0,1,0,1,0,0|0,0,0]=2 5898 B7R1.8 OCC1CCC1F MCULE-2481035584 [0,1,0,1,0,0|0,0,2]=4 5899 B7R1.8 OCC1CCC1O MCULE-9764745395 [0,1,0,1,0,0|0,0,2]=4 5900 B7R1.8 OC[C@@H]1CC[C@H]1O MCULE-5043281368 [0,1,0,1,0,0|0,0,2]=4 5901 B7R1.8 OC[C@H]1CC[C@H]1O MCULE-1536326248 [0,1,0,1,0,0|0,0,2]=4 5902 B7R1.9 C#CC1CC1CO MCULE-9506693915 [0,1,0,1,0,0|1,0,1]=4 5903 B7R1.9 C#C[C@H]1C[C@H]1CO MCULE-5176741676 [0,1,0,1,0,0|1,0,1]=4 5904 B7R1.9 CCC1CC1CN MCULE-6264158284 [0,1,0,1,0,0|1,0,1]=4 5905 B7R1.9 CCC1CC1CN MCULE-7047201371 [0,1,0,1,0,0|1,0,1]=4 5906 B7R1.9 CCC1CC1CO MCULE-3342087238 [0,1,0,1,0,0|0,0,2]=4 5907 B7R1.9 COC1CC1C=O MCULE-8346964880 [0,1,0,1,0,0|0,0,0]=2 5908 B7R1.9 N#CC1CC1CO MCULE-7679796035 [0,1,0,1,0,0|1,0,1]=4 5909 B7R1.9 NCC1CC1CN MCULE-2708697512 [0,1,0,1,0,0|1,0,1]=4 5910 B7R1.9 NCC1CC1CN MCULE-8017169356 [0,1,0,1,0,0|1,0,1]=4 5911 B7R1.9 NCC1CC1CO MCULE-2679526126 [0,1,0,1,0,0|0,0,2]=4 5912 B7R1.9 NC[C@@H]1C[C@H]1CN MCULE-1460900772 [0,1,0,1,0,0|1,0,1]=4 5913 B7R1.9 NC[C@@H]1C[C@H]1CN MCULE-5609779965 [0,1,0,1,0,0|1,0,1]=4 5914 B7R1.9 NC[C@H]1C[C@@H]1CO MCULE-4100547975 [0,1,0,1,0,0|0,0,2]=4 5915 B7R1.9 NC[C@H]1C[C@H]1CN MCULE-4880621233 [0,1,0,1,0,0|1,0,1]=4 5916 B7R1.9 NC[C@H]1C[C@H]1CN MCULE-9980954134 [0,1,0,1,0,0|1,0,1]=4 5917 B7R1.9 NC[C@H]1C[C@H]1CO MCULE-4756509186 [0,1,0,1,0,0|0,0,2]=4 5918 B7R1.9 OCC1CC1CO MCULE-5153064657 [0,1,0,1,0,0|0,0,2]=4 5919 B7R1.9 OC[C@H]1C[C@H]1CO MCULE-9036138013 [0,1,0,1,0,0|0,0,2]=4 5920 B7R1.10 C#CC1CC(=O)C1 MCULE-3858789141 [0,1,0,1,0,0|0,0,2]=4 5921 B7R1.10 C#CC1CC(C1)O MCULE-6127254681 [0,1,0,1,0,0|1,0,1]=4 5922 B7R1.10 C#CC1CN(C1)C MCULE-1660956447 [0,1,0,1,0,0|1,0,1]=4 5923 B7R1.10 C=C1CC(C1)CBr MCULE-5306604568 [0,1,0,1,0,0|2,0,0]=4 5924 B7R1.10 C=C1CC(C1)CN MCULE-1227151583 [0,1,0,1,0,0|2,0,0]=4 5925 B7R1.10 C=C1CC(C1)CO MCULE-6295731045 [0,1,0,1,0,0|2,0,0]=4 5926 B7R1.10 C=C1CC(C1)NC MCULE-3988893291 [0,1,0,1,0,0|2,0,0]=4 5927 B7R1.10 C=CC1CC(=O)C1 MCULE-2741892250 [0,1,0,1,0,0|0,0,2]=4 5928 B7R1.10 C=CC1CC(=O)N1 MCULE-2790457728 [0,1,0,1,0,0|0,0,2]=4 5929 B7R1.10 CC1CC(C1)C#N MCULE-7387519905 [0,1,0,1,0,0|1,0,1]=4 5930 B7R1.10 CC1CC(C1)C=O MCULE-1258886786 [0,1,0,1,0,0|0,0,0]=2 5931 B7R1.10 CC1CC(C1)CBr MCULE-3814375250 [0,1,0,1,0,0|1,0,1]=4 5932 B7R1.10 CC1CC(C1)CN MCULE-4821587591 [0,1,0,1,0,0|1,0,1]=4 5933 B7R1.10 CC1CC(C1)CN MCULE-8372628495 [0,1,0,1,0,0|1,0,1]=4 5934 B7R1.10 CC1CC(C1)CO MCULE-5730978355 [0,1,0,1,0,0|0,0,2]=4 5935 B7R1.10 CCC1CC(=O)C1 MCULE-6356390328 [0,1,0,1,0,0|0,0,0]=2 5936 B7R1.10 CN1CC(C1)CBr MCULE-6612509681 [0,1,0,1,0,0|1,0,1]=4 5937 B7R1.10 CN1CC(C1)CN MCULE-3348262246 [0,1,0,1,0,0|1,0,1]=4 5938 B7R1.10 CN1CC(C1)CN MCULE-4845485123 [0,1,0,1,0,0|1,0,1]=4 5939 B7R1.10 CN1CC(C1)CO MCULE-7263385340 [0,1,0,1,0,0|0,0,2]=4 5940 B7R1.10 CN1CC(C1)CO MCULE-8892079014 [0,1,0,1,0,0|0,0,2]=4 5941 B7R1.10 CNC1CC(C1)C MCULE-5081801744 [0,1,0,1,0,0|2,0,0]=4 5942 B7R1.10 CNC1CC(C1)C MCULE-9449007216 [0,1,0,1,0,0|2,0,0]=4 5943 B7R1.10 CNC1CC(C1)F MCULE-6289158357 [0,1,0,1,0,0|2,0,0]=4 5944 B7R1.10 CNC1CC(C1)O MCULE-1360972312 [0,1,0,1,0,0|2,0,0]=4 5945 B7R1.10 CNC1CC(C1)O MCULE-1798280109 [0,1,0,1,0,0|2,0,0]=4 5946 B7R1.10 CNC1CN(C1)C MCULE-3613414950 [0,1,0,1,0,0|2,0,0]=4 5947 B7R1.10 CNC1CN(C1)C MCULE-4522081258 [0,1,0,1,0,0|2,0,0]=4 5948 B7R1.10 CNC1CN(C1)C MCULE-8058351524 [0,1,0,1,0,0|2,0,0]=4 5949 B7R1.10 CN[C@H]1C[C@@H](C1)F MCULE-2488083119 [0,1,0,1,0,0|2,0,0]=4 5950 B7R1.10 CN[C@H]1C[C@@H](C1)O MCULE-2573139583 [0,1,0,1,0,0|2,0,0]=4 5951 B7R1.10 CN[C@H]1C[C@@H](C1)O MCULE-8240672064 [0,1,0,1,0,0|2,0,0]=4 5952 B7R1.10 CN[C@H]1C[C@H](C1)F MCULE-9478460669 [0,1,0,1,0,0|2,0,0]=4 5953 B7R1.10 CN[C@H]1C[C@H](C1)O MCULE-1676114682 [0,1,0,1,0,0|2,0,0]=4 5954 B7R1.10 CN[C@H]1C[C@H](C1)O MCULE-5219886186 [0,1,0,1,0,0|2,0,0]=4 5955 B7R1.10 COC1CC(=O)C1 MCULE-3488458490 [0,1,0,1,0,0|1,0,0]=3 5956 B7R1.10 COC1CC(C1)Br MCULE-8691368603 [0,1,0,1,0,0|2,0,0]=4 5957 B7R1.10 COC1CC(C1)N MCULE-1660819417 [0,1,0,1,0,0|2,0,0]=4 5958 B7R1.10 COC1CC(C1)N MCULE-8999221377 [0,1,0,1,0,0|2,0,0]=4 5959 B7R1.10 COC1CC(C1)O MCULE-6762585493 [0,1,0,1,0,0|2,0,0]=4 5960 B7R1.10 CO[C@H]1C[C@@H](C1)Br MCULE-1579786868 [0,1,0,1,0,0|2,0,0]=4 5961 B7R1.10 CO[C@H]1C[C@@H](C1)N MCULE-7191327129 [0,1,0,1,0,0|2,0,0]=4 5962 B7R1.10 CO[C@H]1C[C@@H](C1)N MCULE-8453539406 [0,1,0,1,0,0|2,0,0]=4 5963 B7R1.10 CO[C@H]1C[C@@H](C1)O MCULE-8355585959 [0,1,0,1,0,0|2,0,0]=4 5964 B7R1.10 CO[C@H]1C[C@H](C1)N MCULE-1470713902 [0,1,0,1,0,0|2,0,0]=4 5965 B7R1.10 CO[C@H]1C[C@H](C1)N MCULE-7213635913 [0,1,0,1,0,0|2,0,0]=4 5966 B7R1.10 CO[C@H]1C[C@H](C1)O MCULE-4960775262 [0,1,0,1,0,0|2,0,0]=4 5967 B7R1.10 CSC1CC(=O)C1 MCULE-4578180421 [0,1,0,1,0,0|1,0,0]=3 5968 B7R1.10 CSC1CC(C1)N MCULE-3576120726 [0,1,0,1,0,0|2,0,0]=4 5969 B7R1.10 CSC1CC(C1)N MCULE-5640448812 [0,1,0,1,0,0|2,0,0]=4 5970 B7R1.10 CSC1CC(C1)O MCULE-1605912153 [0,1,0,1,0,0|2,0,0]=4 5971 B7R1.10 N#CC1CC(=O)C1 MCULE-7054848642 [0,1,0,1,0,0|1,0,1]=4 5972 B7R1.10 N#CC1CC(C1)Br MCULE-3739713395 [0,1,0,1,0,0|1,0,1]=4 5973 B7R1.10 N#CC1CC(C1)Cl MCULE-9982538216 [0,1,0,1,0,0|1,0,1]=4 5974 B7R1.10 N#CC1CC(C1)F MCULE-5293290159 [0,1,0,1,0,0|1,0,1]=4 5975 B7R1.10 N#CC1CC(C1)I MCULE-6744330737 [0,1,0,1,0,0|1,0,1]=4 5976 B7R1.10 N#CC1CC(C1)N MCULE-4887677013 [0,1,0,1,0,0|1,0,1]=4 5977 B7R1.10 N#CC1CC(C1)N MCULE-9191809111 [0,1,0,1,0,0|1,0,1]=4 5978 B7R1.10 N#CC1CC(C1)O MCULE-4680091192 [0,1,0,1,0,0|1,0,1]=4 5979 B7R1.10 N#C[C@H]1C[C@@H](C1)N MCULE-2250324027 [0,1,0,1,0,0|1,0,1]=4 5980 B7R1.10 N#C[C@H]1C[C@@H](C1)N MCULE-7165436356 [0,1,0,1,0,0|1,0,1]=4 5981 B7R1.10 N#C[C@H]1C[C@@H](C1)O MCULE-1011646509 [0,1,0,1,0,0|1,0,1]=4 5982 B7R1.10 N#C[C@H]1C[C@H](C1)N MCULE-1834490395 [0,1,0,1,0,0|1,0,1]=4 5983 B7R1.10 N#C[C@H]1C[C@H](C1)N MCULE-8611929760 [0,1,0,1,0,0|1,0,1]=4 5984 B7R1.10 N#C[C@H]1C[C@H](C1)O MCULE-9751568094 [0,1,0,1,0,0|1,0,1]=4 5985 B7R1.10 NC1CC(C1)CO MCULE-4549811698 [0,1,0,1,0,0|0,0,2]=4 5986 B7R1.10 NC1CC(C1)CO MCULE-9310533439 [0,1,0,1,0,0|0,0,2]=4 5987 B7R1.10 NCC1CC(=O)C1 MCULE-2475090953 [0,1,0,1,0,0|1,0,0]=3 5988 B7R1.10 NCC1CC(=O)C1 MCULE-3448735299 [0,1,0,1,0,0|1,0,0]=3 5989 B7R1.10 NCC1CC(=O)N1 MCULE-6099913032 [0,1,0,1,0,0|1,0,0]=3 5990 B7R1.10 NCC1CC(C1)F MCULE-8395280530 [0,1,0,1,0,0|1,0,1]=4 5991 B7R1.10 NCC1CC(C1)F MCULE-9102367552 [0,1,0,1,0,0|1,0,1]=4 5992 B7R1.10 NCC1CC(C1)O MCULE-1448807479 [0,1,0,1,0,0|1,0,1]=4 5993 B7R1.10 NCC1CC(C1)O MCULE-5095960848 [0,1,0,1,0,0|1,0,1]=4 5994 B7R1.10 NC[C@H]1C[C@@H](C1)F MCULE-5013421604 [0,1,0,1,0,0|1,0,1]=4 5995 B7R1.10 NC[C@H]1C[C@@H](C1)F MCULE-9543558044 [0,1,0,1,0,0|1,0,1]=4 5996 B7R1.10 NC[C@H]1C[C@@H](C1)O MCULE-2155101378 [0,1,0,1,0,0|1,0,1]=4 5997 B7R1.10 NC[C@H]1C[C@@H](C1)O MCULE-3237212031 [0,1,0,1,0,0|1,0,1]=4 5998 B7R1.10 NC[C@H]1C[C@H](C1)O MCULE-3137766844 [0,1,0,1,0,0|1,0,1]=4 5999 B7R1.10 NC[C@H]1C[C@H](C1)O MCULE-6173771659 [0,1,0,1,0,0|1,0,1]=4 6000 B7R1.10 NNC1CC(C1)O MCULE-5994485672 [0,1,0,1,0,0|2,0,0]=4 6001 B7R1.10 NN[C@H]1C[C@@H](C1)O MCULE-7299068166 [0,1,0,1,0,0|2,0,0]=4 6002 B7R1.10 NN[C@H]1C[C@H](C1)O MCULE-6067864594 [0,1,0,1,0,0|2,0,0]=4 6003 B7R1.10 NN[C@H]1C[C@H](C1)O MCULE-8225790345 [0,1,0,1,0,0|2,0,0]=4 6004 B7R1.10 N[C@H]1C[C@@H](C1)CO MCULE-1976271596 [0,1,0,1,0,0|0,0,2]=4 6005 B7R1.10 N[C@H]1C[C@@H](C1)CO MCULE-2004610084 [0,1,0,1,0,0|0,0,2]=4 6006 B7R1.10 N[C@H]1C[C@H](C1)CO MCULE-3406959231 [0,1,0,1,0,0|0,0,2]=4 6007 B7R1.10 N[C@H]1C[C@H](C1)CO MCULE-9771399616 [0,1,0,1,0,0|0,0,2]=4 6008 B7R1.10 O=C1CC(C1)CBr MCULE-3146426428 [0,1,0,1,0,0|1,0,0]=3 6009 B7R1.10 O=C1CC(C1)CCl MCULE-9945216137 [0,1,0,1,0,0|1,0,0]=3 6010 B7R1.10 O=C1CC(C1)CF MCULE-5064337976 [0,1,0,1,0,0|1,0,0]=3 6011 B7R1.10 O=C1CC(C1)CO MCULE-6785243243 [0,1,0,1,0,0|1,0,0]=3 6012 B7R1.10 O=C1CC(N1)CI MCULE-8223453504 [0,1,0,1,0,0|1,0,0]=3 6013 B7R1.10 O=C1CC(N1)CO MCULE-5966757004 [0,1,0,1,0,0|1,0,0]=3 6014 B7R1.10 O=C1CC(N1)CO MCULE-7672639952 [0,1,0,1,0,0|1,0,0]=3 6015 B7R1.10 O=C1CC(O1)CBr MCULE-1451058371 [0,1,0,1,0,0|1,0,0]=3 6016 B7R1.10 O=C1C[C@@H](N1)CO MCULE-7235908958 [0,1,0,1,0,0|1,0,0]=3 6017 B7R1.10 O=C1C[C@@H](N1)CO MCULE-9940834935 [0,1,0,1,0,0|1,0,0]=3 6018 B7R1.10 O=C1C[C@H](N1)CO MCULE-1643787736 [0,1,0,1,0,0|1,0,0]=3 6019 B7R1.10 OC1CC(C1)CBr MCULE-8641406432 [0,1,0,1,0,0|1,0,1]=4 6020 B7R1.10 OC1CC(C1)CF MCULE-9152872996 [0,1,0,1,0,0|1,0,1]=4 6021 B7R1.10 OCC1CC(C1)Br MCULE-6426656913 [0,1,0,1,0,0|0,0,2]=4 6022 B7R1.10 OCC1CC(C1)Cl MCULE-8102550006 [0,1,0,1,0,0|0,0,2]=4 6023 B7R1.10 OCC1CC(C1)F MCULE-8343173774 [0,1,0,1,0,0|0,0,2]=4 6024 B7R1.10 OCC1CC(C1)O MCULE-3885216336 [0,1,0,1,0,0|0,0,2]=4 6025 B7R1.10 OC[C@H]1C[C@H](C1)O MCULE-2350233032 [0,1,0,1,0,0|0,0,2]=4 6026 B7R1.10 O[C@H]1C[C@H](C1)CF MCULE-2417083162 [0,1,0,1,0,0|1,0,1]=4 6027 B7R1.10 [C@@H]1(C[C@H](C1)CN)F MCULE-1449288209 [0,1,0,1,0,0|1,0,1]=4 6028 B7R1.10 [C@@H]1(C[C@H](C1)CN)F MCULE-2879792720 [0,1,0,1,0,0|1,0,1]=4 6029 B7R1.11 CC1C(C1C=O)Cl MCULE-4531897284 [0,1,0,1,0,0|0,0,0]=2 6030 B7R1.15 CC1CC(=O)C1C MCULE-1068922218 [0,1,0,1,0,0|0,0,0]=2 6031 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-2032555036 [0,1,0,1,0,0|1,0,0]=3 6032 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-2738127555 [0,1,0,1,0,0|1,0,0]=3 6033 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-5044901082 [0,1,0,1,0,0|1,0,0]=3 6034 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-7632990759 [0,1,0,1,0,0|1,0,0]=3 6035 B7R1.21 C=CCC1(CC1)N MCULE-3459936147 [0,1,0,1,0,0|2,0,0]=4 6036 B7R1.21 C=CCC1(CC1)N MCULE-9778934131 [0,1,0,1,0,0|2,0,0]=4 6037 B7R1.21 CC1(CC1)CCBr MCULE-4700835198 [0,1,0,1,0,0|1,0,1]=4 6038 B7R1.21 CC1(CC1)CCN MCULE-1525421562 [0,1,0,1,0,0|1,0,1]=4 6039 B7R1.21 CC1(CC1)CCN MCULE-2587012619 [0,1,0,1,0,0|1,0,1]=4 6040 B7R1.21 CC1(CC1)CCO MCULE-4173763460 [0,1,0,1,0,0|0,0,2]=4 6041 B7R1.21 CC1(CC1)N=C=S MCULE-8721924142 [0,1,0,1,0,0|0,1,1]=4 6042 B7R1.21 CC1(N=N1)CCBr MCULE-6029801928 [0,1,0,1,0,0|2,0,0]=4 6043 B7R1.21 CC1(N=N1)CCN MCULE-1756845771 [0,1,0,1,0,0|2,0,0]=4 6044 B7R1.21 CC1(N=N1)CCN MCULE-6797999031 [0,1,0,1,0,0|2,0,0]=4 6045 B7R1.21 CC1(N=N1)CCO MCULE-6336884717 [0,1,0,1,0,0|2,0,0]=4 6046 B7R1.21 CCNC1(CC1)C MCULE-7289521608 [0,1,0,1,0,0|1,0,1]=4 6047 B7R1.21 CCNC1(CC1)C MCULE-7847765564 [0,1,0,1,0,0|1,0,1]=4 6048 B7R1.21 CNCC1(CC1)C MCULE-5523822723 [0,1,0,1,0,0|1,0,1]=4 6049 B7R1.21 COCC1(CO1)C MCULE-8694642597 [0,1,0,1,0,0|0,0,2]=4 6050 B7R1.22 C=CC(O)C1CC1 MCULE-5079761130 [0,1,0,1,0,0|2,0,0]=4 6051 B7R1.22 C=C[C@H](O)[C@H]1CO1 MCULE-8949250499 [0,1,0,1,0,0|2,0,0]=4 6052 B7R1.22 CC(C#N)C1CC1 MCULE-5117863339 [0,1,0,1,0,0|1,0,1]=4 6053 B7R1.22 CC(C=O)C1CC1 MCULE-9307079880 [0,1,0,1,0,0|0,0,0]=2 6054 B7R1.22 CC(CBr)C1CC1 MCULE-6817011252 [0,1,0,1,0,0|1,0,1]=4 6055 B7R1.22 CC(CN)C1CC1 MCULE-8672047249 [0,1,0,1,0,0|1,0,1]=4 6056 B7R1.22 CC(CN)C1CC1 MCULE-9115092780 [0,1,0,1,0,0|1,0,1]=4 6057 B7R1.22 CC(CO)C1CC1 MCULE-8325587009 [0,1,0,1,0,0|0,0,2]=4 6058 B7R1.22 CC(NN)C1CC1 MCULE-4645972246 [0,1,0,1,0,0|2,0,0]=4 6059 B7R1.22 CC(NN)C1CC1 MCULE-5779482348 [0,1,0,1,0,0|2,0,0]=4 6060 B7R1.22 CC(NN)C1CC1 MCULE-8729564000 [0,1,0,1,0,0|2,0,0]=4 6061 B7R1.22 CC(ON)C1CC1 MCULE-7159103218 [0,1,0,1,0,0|2,0,0]=4 6062 B7R1.22 CC(ON)C1CC1 MCULE-9475793465 [0,1,0,1,0,0|2,0,0]=4 6063 B7R1.22 CN(C=O)C1CC1 MCULE-4185514369 [0,1,0,1,0,0|1,0,0]=3 6064 B7R1.22 CNC(C)C1CC1 MCULE-3862123004 [0,1,0,1,0,0|2,0,0]=4 6065 B7R1.22 CNC(C)C1CC1 MCULE-5338638792 [0,1,0,1,0,0|2,0,0]=4 6066 B7R1.25 C#CC1(CCC1)N MCULE-5371030411 [0,1,0,1,0,0|1,0,1]=4 6067 B7R1.25 C#CC1(CCC1)N MCULE-7138087833 [0,1,0,1,0,0|1,0,1]=4 6068 B7R1.25 C#CC1(CCC1)O MCULE-2183185313 [0,1,0,1,0,0|1,0,1]=4 6069 B7R1.25 C#CC1(COC1)C MCULE-8884347965 [0,1,0,1,0,0|1,0,1]=4 6070 B7R1.25 C=CC1(COC1)N MCULE-1446171155 [0,1,0,1,0,0|2,0,0]=4 6071 B7R1.25 C=CC1(COC1)N MCULE-2444826926 [0,1,0,1,0,0|2,0,0]=4 6072 B7R1.25 C=CC1(COC1)O MCULE-3192470057 [0,1,0,1,0,0|2,0,0]=4 6073 B7R1.25 CC1(CCC1)C#N MCULE-9909167812 [0,1,0,1,0,0|1,0,1]=4 6074 B7R1.25 CC1(CCC1)C=O MCULE-9513047998 [0,1,0,1,0,0|0,0,0]=2 6075 B7R1.25 CC1(CCC1)CBr MCULE-8887285694 [0,1,0,1,0,0|1,0,1]=4 6076 B7R1.25 CC1(CCC1)CN MCULE-2351992333 [0,1,0,1,0,0|1,0,1]=4 6077 B7R1.25 CC1(CCC1)CN MCULE-4768166684 [0,1,0,1,0,0|1,0,1]=4 6078 B7R1.25 CC1(CCC1)CO MCULE-9646690839 [0,1,0,1,0,0|0,0,2]=4 6079 B7R1.25 CC1(CCC1)CS MCULE-2920048402 [0,1,0,1,0,0|0,1,1]=4 6080 B7R1.25 CC1(CCN1)CO MCULE-2134260042 [0,1,0,1,0,0|0,0,2]=4 6081 B7R1.25 CC1(CCN1)CO MCULE-3210259937 [0,1,0,1,0,0|0,0,2]=4 6082 B7R1.25 CC1(CCO1)CN MCULE-1371408706 [0,1,0,1,0,0|1,0,1]=4 6083 B7R1.25 CC1(CCO1)CO MCULE-6424264752 [0,1,0,1,0,0|0,0,2]=4 6084 B7R1.25 CC1(CNC1)C#N MCULE-3304179021 [0,1,0,1,0,0|1,0,1]=4 6085 B7R1.25 CC1(CNC1)C#N MCULE-5232419565 [0,1,0,1,0,0|1,0,1]=4 6086 B7R1.25 CC1(CNC1)CF MCULE-3915015007 [0,1,0,1,0,0|1,0,1]=4 6087 B7R1.25 CC1(CNC1)CF MCULE-9466310680 [0,1,0,1,0,0|1,0,1]=4 6088 B7R1.25 CC1(CNC1)CN MCULE-1219615860 [0,1,0,1,0,0|1,0,1]=4 6089 B7R1.25 CC1(CNC1)CN MCULE-8264013292 [0,1,0,1,0,0|1,0,1]=4 6090 B7R1.25 CC1(CNC1)CO MCULE-4856424189 [0,1,0,1,0,0|0,0,2]=4 6091 B7R1.25 CC1(CNC1)CO MCULE-7118798664 [0,1,0,1,0,0|0,0,2]=4 6092 B7R1.25 CC1(COC1)C#N MCULE-2081182478 [0,1,0,1,0,0|1,0,1]=4 6093 B7R1.25 CC1(COC1)C=O MCULE-4295634366 [0,1,0,1,0,0|0,0,0]=2 6094 B7R1.25 CC1(COC1)CBr MCULE-5644951797 [0,1,0,1,0,0|1,0,1]=4 6095 B7R1.25 CC1(COC1)CCl MCULE-3299014950 [0,1,0,1,0,0|1,0,1]=4 6096 B7R1.25 CC1(COC1)CI MCULE-2311899293 [0,1,0,1,0,0|1,0,1]=4 6097 B7R1.25 CC1(COC1)CN MCULE-1465461565 [0,1,0,1,0,0|1,0,1]=4 6098 B7R1.25 CC1(COC1)CN MCULE-9032740574 [0,1,0,1,0,0|1,0,1]=4 6099 B7R1.25 CC1(COC1)CN MCULE-9508101523 [0,1,0,1,0,0|1,0,1]=4 6100 B7R1.25 CC1(COC1)CO MCULE-5859568263 [0,1,0,1,0,0|0,0,2]=4 6101 B7R1.25 CC1(COC1)CS MCULE-6297617076 [0,1,0,1,0,0|0,1,1]=4 6102 B7R1.25 CC1(CSC1)C=O MCULE-8783002976 [0,1,0,1,0,0|0,0,0]=2 6103 B7R1.25 CC1(CSC1)CO MCULE-2267957602 [0,1,0,1,0,0|0,0,2]=4 6104 B7R1.25 CCC1(CCC1)N MCULE-5053916607 [0,1,0,1,0,0|1,0,1]=4 6105 B7R1.25 CCC1(CCC1)N MCULE-5413278315 [0,1,0,1,0,0|1,0,1]=4 6106 B7R1.25 CCC1(CNC1)C MCULE-6047240128 [0,1,0,1,0,0|1,0,1]=4 6107 B7R1.25 CCC1(CNC1)C MCULE-7401095376 [0,1,0,1,0,0|1,0,1]=4 6108 B7R1.25 CCC1(CNC1)F MCULE-1017966726 [0,1,0,1,0,0|1,0,1]=4 6109 B7R1.25 CCC1(CNC1)F MCULE-7766358285 [0,1,0,1,0,0|1,0,1]=4 6110 B7R1.25 CCC1(CNC1)N MCULE-3356995774 [0,1,0,1,0,0|1,0,1]=4 6111 B7R1.25 CCC1(CNC1)N MCULE-3405511665 [0,1,0,1,0,0|1,0,1]=4 6112 B7R1.25 CCC1(CNC1)N MCULE-9106873585 [0,1,0,1,0,0|1,0,1]=4 6113 B7R1.25 CCC1(CNC1)O MCULE-5663327812 [0,1,0,1,0,0|1,0,1]=4 6114 B7R1.25 CCC1(CNC1)O MCULE-5973200057 [0,1,0,1,0,0|1,0,1]=4 6115 B7R1.25 CCC1(CNC1)O MCULE-7770950299 [0,1,0,1,0,0|1,0,1]=4 6116 B7R1.25 CCC1(COC1)N MCULE-1675536237 [0,1,0,1,0,0|0,0,2]=4 6117 B7R1.25 CCC1(COC1)N MCULE-2070317664 [0,1,0,1,0,0|0,0,2]=4 6118 B7R1.25 CCC1(COC1)O MCULE-7543171366 [0,1,0,1,0,0|0,0,2]=4 6119 B7R1.25 CNC1(CNC1)C MCULE-2295222646 [0,1,0,1,0,0|2,0,0]=4 6120 B7R1.25 CNC1(COC1)C MCULE-4717844922 [0,1,0,1,0,0|2,0,0]=4 6121 B7R1.25 CNC1(COC1)C MCULE-6586517624 [0,1,0,1,0,0|2,0,0]=4 6122 B7R1.25 COC1(CNC1)C MCULE-6665716453 [0,1,0,1,0,0|2,0,0]=4 6123 B7R1.25 COC1(CNC1)C MCULE-9047074177 [0,1,0,1,0,0|2,0,0]=4 6124 B7R1.25 C[C@@]1(CCO1)CN MCULE-8755107224 [0,1,0,1,0,0|1,0,1]=4 6125 B7R1.25 C[C@@]1(CCO1)CO MCULE-4685471926 [0,1,0,1,0,0|0,0,2]=4 6126 B7R1.25 C[C@@]1(CCO1)CO MCULE-5799098537 [0,1,0,1,0,0|0,0,2]=4 6127 B7R1.25 C[C@]1(CCO1)CO MCULE-5749345841 [0,1,0,1,0,0|0,0,2]=4 6128 B7R1.25 FC1(CCC1)CBr MCULE-3319458488 [0,1,0,1,0,0|1,0,1]=4 6129 B7R1.25 N#CC1(CCC1)N MCULE-5265286874 [0,1,0,1,0,0|1,0,1]=4 6130 B7R1.25 N#CC1(CCC1)N MCULE-9294868612 [0,1,0,1,0,0|1,0,1]=4 6131 B7R1.25 N#CC1(CCC1)O MCULE-8825556606 [0,1,0,1,0,0|1,0,1]=4 6132 B7R1.25 NC1(CCC1)CF MCULE-1820863854 [0,1,0,1,0,0|1,0,1]=4 6133 B7R1.25 NC1(CCC1)CF MCULE-4073039809 [0,1,0,1,0,0|1,0,1]=4 6134 B7R1.25 NC1(CCC1)CO MCULE-3303213714 [0,1,0,1,0,0|0,0,2]=4 6135 B7R1.25 NC1(CCC1)CO MCULE-7230626576 [0,1,0,1,0,0|0,0,2]=4 6136 B7R1.25 NCC1(CCC1)F MCULE-4269584193 [0,1,0,1,0,0|1,0,1]=4 6137 B7R1.25 NCC1(CCC1)F MCULE-8050912377 [0,1,0,1,0,0|1,0,1]=4 6138 B7R1.25 NCC1(CCC1)N MCULE-4976713787 [0,1,0,1,0,0|1,0,1]=4 6139 B7R1.25 NCC1(CCC1)N MCULE-8019875303 [0,1,0,1,0,0|1,0,1]=4 6140 B7R1.25 NCC1(CCC1)O MCULE-1242555690 [0,1,0,1,0,0|1,0,1]=4 6141 B7R1.25 O=CC1(CCC1)F MCULE-8878080032 [0,1,0,1,0,0|0,0,0]=2 6142 B7R1.25 OC1(CCC1)CBr MCULE-7282991867 [0,1,0,1,0,0|1,0,1]=4 6143 B7R1.25 OCC1(CCC1)F MCULE-5944864184 [0,1,0,1,0,0|0,0,2]=4 6144 B7R1.25 OCC1(CCC1)O MCULE-2830358505 [0,1,0,1,0,0|0,0,2]=4 6145 B7R1.27 CC1(CC1Br)CN MCULE-1556714007 [0,1,0,1,0,0|1,0,1]=4 6146 B7R1.27 CC1(CC1Br)CN MCULE-5280385523 [0,1,0,1,0,0|1,0,1]=4 6147 B7R1.27 CC1(CC1Br)CO MCULE-5286402958 [0,1,0,1,0,0|0,0,2]=4 6148 B7R1.27 CC1(CC1F)CO MCULE-9626513813 [0,1,0,1,0,0|0,0,2]=4 6149 B7R1.27 CC1CC1(C)C=O MCULE-1780701123 [0,1,0,1,0,0|0,0,0]=2 6150 B7R1.27 CCC1(CC1N)C MCULE-2073505141 [0,1,0,1,0,0|1,0,1]=4 6151 B7R1.27 CCC1(CC1N)C MCULE-3927183672 [0,1,0,1,0,0|1,0,1]=4 6152 B7R1.27 COC1(CC1N)C MCULE-2779937239 [0,1,0,1,0,0|2,0,0]=4 6153 B7R1.12 C=C1CC1C(=O)O MCULE-4330944573 [0,1,0,1,0,0|0,0,2]=4 6154 B7R1.12 CC(=O)C1CC1C MCULE-5857709747 [0,1,0,1,0,0|0,0,0]=2 6155 B7R1.12 CC(=O)[C@@H]1C[C@H]1C MCULE-4367650211 [0,1,0,1,0,0|0,0,0]=2 6156 B7R1.12 CC(C)[C@@H]1C[C@H]1N MCULE-1713655941 [0,1,0,1,0,0|1,0,1]=4 6157 B7R1.12 CC(C)[C@@H]1C[C@H]1N MCULE-5926317826 [0,1,0,1,0,0|1,0,1]=4 6158 B7R1.12 CC1=CC1C(=O)O MCULE-6979504623 [0,1,0,1,0,0|0,0,2]=4 6159 B7R1.12 CC1CC1C(=O)Cl MCULE-7645594952 [0,1,0,1,0,0|0,0,0]=2 6160 B7R1.12 CC1CC1C(=O)N MCULE-4145079494 [0,1,0,1,0,0|0,0,0]=2 6161 B7R1.12 CC1CC1C(=O)O MCULE-1757330006 [0,1,0,1,0,0|0,0,0]=2 6162 B7R1.12 CC1SC1C(=O)N MCULE-7010314546 [0,1,0,1,0,0|1,0,0]=3 6163 B7R1.12 C[C@@H]1C[C@@H]1B(O)O MCULE-4091409950 [0,1,0,1,0,0|1,0,1]=4 6164 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-1245851874 [0,1,0,1,0,0|0,0,0]=2 6165 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-9582782871 [0,1,0,1,0,0|0,0,0]=2 6166 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-2621918749 [0,1,0,1,0,0|0,0,0]=2 6167 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-7347988261 [0,1,0,1,0,0|0,0,0]=2 6168 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-4499487863 [0,1,0,1,0,0|0,0,0]=2 6169 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-9300153165 [0,1,0,1,0,0|0,0,0]=2 6170 B7R1.12 C[C@H]1C[C@H]1B(O)O MCULE-9584013970 [0,1,0,1,0,0|1,0,1]=4 6171 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-4410115478 [0,1,0,1,0,0|0,0,0]=2 6172 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-6590525761 [0,1,0,1,0,0|0,0,0]=2 6173 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-8070492716 [0,1,0,1,0,0|0,0,0]=2 6174 B7R1.12 NC(=O)C1CC1N MCULE-9433325277 [0,1,0,1,0,0|1,0,0]=3 6175 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F MCULE-2857193174 [0,1,0,1,0,0|1,0,0]=3 6176 B7R1.12 O=C(O)C1CC1Br MCULE-6387317137 [0,1,0,1,0,0|1,0,0]=3 6177 B7R1.12 O=C(O)C1CC1Cl MCULE-8907850405 [0,1,0,1,0,0|1,0,0]=3 6178 B7R1.12 O=C(O)C1CC1F MCULE-8258481986 [0,1,0,1,0,0|1,0,0]=3 6179 B7R1.12 O=C(O)C1CC1I MCULE-9535592263 [0,1,0,1,0,0|1,0,0]=3 6180 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-1882710455 [0,1,0,1,0,0|1,0,0]=3 6181 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7715660561 [0,1,0,1,0,0|1,0,0]=3 6182 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7741460434 [0,1,0,1,0,0|1,0,0]=3 6183 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-2594739726 [0,1,0,1,0,0|1,0,0]=3 6184 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-3033770510 [0,1,0,1,0,0|1,0,0]=3 6185 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-6224902495 [0,1,0,1,0,0|1,0,0]=3 6186 B7R1.12 O=C(O)[C@@H]1C[C@H]1Br MCULE-3031410853 [0,1,0,1,0,0|1,0,0]=3 6187 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-1201733028 [0,1,0,1,0,0|1,0,0]=3 6188 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-5963625184 [0,1,0,1,0,0|1,0,0]=3 6189 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-9724617114 [0,1,0,1,0,0|1,0,0]=3 6190 B7R1.12 O=C(O)[C@@H]1C[C@H]1I MCULE-3702576454 [0,1,0,1,0,0|1,0,0]=3 6191 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-3766204952 [0,1,0,1,0,0|1,0,0]=3 6192 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-4258983574 [0,1,0,1,0,0|1,0,0]=3 6193 B7R1.12 O=C(O)[C@H]1C[C@H]1Br MCULE-3094747797 [0,1,0,1,0,0|1,0,0]=3 6194 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-7993479857 [0,1,0,1,0,0|1,0,0]=3 6195 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-9922834235 [0,1,0,1,0,0|1,0,0]=3 6196 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-5714437007 [0,1,0,1,0,0|1,0,0]=3 6197 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-8000208987 [0,1,0,1,0,0|1,0,0]=3 6198 B7R1.12 [C@H]1(C[C@H]1C(=O)O)C MCULE-9539625763 [0,1,0,1,0,0|0,0,0]=2 6199 B7R1.17 CC1(CCC1=O)C MCULE-3723871956 [0,1,0,1,0,0|0,0,0]=2 6200 B7R1.17 CC1(CCC1Br)C MCULE-2707590334 [0,1,0,1,0,0|1,0,1]=4 6201 B7R1.17 CC1(CCC1N)C MCULE-3143969489 [0,1,0,1,0,0|1,0,1]=4 6202 B7R1.17 CC1(CCC1N)C MCULE-7719131610 [0,1,0,1,0,0|1,0,1]=4 6203 B7R1.17 CC1(CCC1O)C MCULE-7385359414 [0,1,0,1,0,0|0,0,2]=4 6204 B7R1.17 CC1(CC[C@@H]1O)C MCULE-9766955692 [0,1,0,1,0,0|0,0,2]=4 6205 B7R1.17 CC1(CNC1=O)C MCULE-3476087791 [0,1,0,1,0,0|1,0,0]=3 6206 B7R1.17 CC1(OCC1=O)C MCULE-5758313494 [0,1,0,1,0,0|1,0,0]=3 6207 B7R1.17 CC1CNS1(=O)=O MCULE-9736489046 [0,1,0,1,0,0|2,0,0]=4 6208 B7R1.17 O=C1CCC1(Br)Br MCULE-8976658449 [0,1,0,1,0,0|1,0,0]=3 6209 B7R1.17 O=C1CCC1(F)F MCULE-4827224161 [0,1,0,1,0,0|1,0,0]=3 6210 B7R1.18 C1(CCN1)C(=O)O MCULE-9324355017 [0,1,0,1,0,0|1,0,0]=3 6211 B7R1.18 CC(=O)C1CCC1 MCULE-5770046789 [0,1,0,1,0,0|0,0,0]=2 6212 B7R1.18 CC(=O)C1CNC1 MCULE-2354733934 [0,1,0,1,0,0|1,0,0]=3 6213 B7R1.18 CC(=O)C1CNC1 MCULE-3110609785 [0,1,0,1,0,0|1,0,0]=3 6214 B7R1.18 CC(=O)C1CNC1 MCULE-4112322251 [0,1,0,1,0,0|1,0,0]=3 6215 B7R1.18 CC(=O)C1COC1 MCULE-3416774210 [0,1,0,1,0,0|1,0,0]=3 6216 B7R1.18 CC(=O)N1CCC1 MCULE-6467100562 [0,1,0,1,0,0|1,0,0]=3 6217 B7R1.18 CC(C)C1CNC1 MCULE-4830353053 [0,1,0,1,0,0|1,0,1]=4 6218 B7R1.18 CC(C)C1CNC1 MCULE-7304386148 [0,1,0,1,0,0|1,0,1]=4 6219 B7R1.18 CC(N)C1CCC1 MCULE-1055775237 [0,1,0,1,0,0|1,0,1]=4 6220 B7R1.18 CC(N)C1CCC1 MCULE-4303681430 [0,1,0,1,0,0|1,0,1]=4 6221 B7R1.18 CC(N)C1COC1 MCULE-1380624257 [0,1,0,1,0,0|0,0,2]=4 6222 B7R1.18 CC(N)C1CSC1 MCULE-5095506053 [0,1,0,1,0,0|0,1,1]=4 6223 B7R1.18 CC(O)C1CCC1 MCULE-7846963519 [0,1,0,1,0,0|0,0,2]=4 6224 B7R1.18 CC(O)C1CNC1 MCULE-1265886795 [0,1,0,1,0,0|1,0,1]=4 6225 B7R1.18 CC(O)C1CNC1 MCULE-5108259269 [0,1,0,1,0,0|1,0,1]=4 6226 B7R1.18 CC(O)C1CNC1 MCULE-8265279011 [0,1,0,1,0,0|1,0,1]=4 6227 B7R1.18 CC(O)C1COC1 MCULE-4981198639 [0,1,0,1,0,0|0,0,2]=4 6228 B7R1.18 CS(=O)C1CNC1 MCULE-1896314246 [0,1,0,1,0,0|2,0,0]=4 6229 B7R1.18 CS(=O)C1CNC1 MCULE-3655021594 [0,1,0,1,0,0|2,0,0]=4 6230 B7R1.18 C[C@@H](N)C1CCC1 MCULE-4670161237 [0,1,0,1,0,0|1,0,1]=4 6231 B7R1.18 C[C@@H](N)C1CCC1 MCULE-6520272933 [0,1,0,1,0,0|1,0,1]=4 6232 B7R1.18 C[C@@H](N)C1CCC1 MCULE-8342688572 [0,1,0,1,0,0|1,0,1]=4 6233 B7R1.18 C[C@@H](N)C1CCC1 MCULE-9076983662 [0,1,0,1,0,0|1,0,1]=4 6234 B7R1.18 C[C@@H](N)C1COC1 MCULE-7669553866 [0,1,0,1,0,0|0,0,2]=4 6235 B7R1.18 C[C@@H](O)C1CCC1 MCULE-6990873960 [0,1,0,1,0,0|0,0,2]=4 6236 B7R1.18 C[C@@H](O)C1COC1 MCULE-5223611242 [0,1,0,1,0,0|0,0,2]=4 6237 B7R1.18 C[C@@H](O)C1COC1 MCULE-5819578881 [0,1,0,1,0,0|0,0,2]=4 6238 B7R1.18 C[C@H](N)C1CCC1 MCULE-2555280675 [0,1,0,1,0,0|1,0,1]=4 6239 B7R1.18 C[C@H](N)C1CCC1 MCULE-3888125434 [0,1,0,1,0,0|1,0,1]=4 6240 B7R1.18 C[C@H](N)C1CCC1 MCULE-6963105805 [0,1,0,1,0,0|1,0,1]=4 6241 B7R1.18 C[C@H](N)C1CCC1 MCULE-7483270694 [0,1,0,1,0,0|1,0,1]=4 6242 B7R1.18 C[C@H](N)C1COC1 MCULE-8337949293 [0,1,0,1,0,0|0,0,2]=4 6243 B7R1.18 C[C@H](O)C1CCC1 MCULE-5072123772 [0,1,0,1,0,0|0,0,2]=4 6244 B7R1.18 C[C@H](O)C1CCC1 MCULE-6701623925 [0,1,0,1,0,0|0,0,2]=4 6245 B7R1.18 C[C@H](O)C1CNC1 MCULE-4694154501 [0,1,0,1,0,0|1,0,1]=4 6246 B7R1.18 C[C@H](O)C1CNC1 MCULE-5870270724 [0,1,0,1,0,0|1,0,1]=4 6247 B7R1.18 C[C@H](O)C1COC1 MCULE-1396791034 [0,1,0,1,0,0|0,0,2]=4 6248 B7R1.18 C[C@H](O)C1COC1 MCULE-8805369596 [0,1,0,1,0,0|0,0,2]=4 6249 B7R1.18 N=C(N)C1CCC1 MCULE-3470535674 [0,1,0,1,0,0|1,0,0]=3 6250 B7R1.18 N=C(N)C1CCC1 MCULE-4802517706 [0,1,0,1,0,0|1,0,0]=3 6251 B7R1.18 N=C(N)C1CCC1 MCULE-5858986439 [0,1,0,1,0,0|1,0,0]=3 6252 B7R1.18 N=C(N)C1CSC1 MCULE-6979629096 [0,1,0,1,0,0|2,0,0]=4 6253 B7R1.18 N=C(N)C1CSC1 MCULE-8561937098 [0,1,0,1,0,0|2,0,0]=4 6254 B7R1.18 NC(=O)C1CCC1 MCULE-5151176129 [0,1,0,1,0,0|0,0,0]=2 6255 B7R1.18 NC(=O)C1CCN1 MCULE-1856696035 [0,1,0,1,0,0|1,0,0]=3 6256 B7R1.18 NC(=O)C1CCN1 MCULE-5757704016 [0,1,0,1,0,0|1,0,0]=3 6257 B7R1.18 NC(=O)C1CNC1 MCULE-2319282799 [0,1,0,1,0,0|1,0,0]=3 6258 B7R1.18 NC(=O)C1CNC1 MCULE-4985073048 [0,1,0,1,0,0|1,0,0]=3 6259 B7R1.18 NC(=O)C1CNC1 MCULE-8796959516 [0,1,0,1,0,0|1,0,0]=3 6260 B7R1.18 NC(=O)C1COC1 MCULE-1077689713 [0,1,0,1,0,0|1,0,0]=3 6261 B7R1.18 NC(=O)N1CCC1 MCULE-1594728830 [0,1,0,1,0,0|1,0,0]=3 6262 B7R1.18 NC(=O)[C@H]1CCN1 MCULE-7187425143 [0,1,0,1,0,0|1,0,0]=3 6263 B7R1.18 NC(=S)C1CCC1 MCULE-9753547991 [0,1,0,1,0,0|0,1,0]=3 6264 B7R1.18 NC(=S)N1CCC1 MCULE-5688954257 [0,1,0,1,0,0|1,1,0]=4 6265 B7R1.18 O=C(Cl)C1CCC1 MCULE-2155859428 [0,1,0,1,0,0|0,0,0]=2 6266 B7R1.18 O=C(Cl)N1CCC1 MCULE-8313088104 [0,1,0,1,0,0|1,0,0]=3 6267 B7R1.18 O=C(O)C1=CCC1 MCULE-4244912351 [0,1,0,1,0,0|0,0,2]=4 6268 B7R1.18 O=C(O)C1CCC1 MCULE-2498509888 [0,1,0,1,0,0|0,0,0]=2 6269 B7R1.18 O=C(O)C1CCN1 MCULE-1336085891 [0,1,0,1,0,0|1,0,0]=3 6270 B7R1.18 O=C(O)C1CCN1 MCULE-6501890131 [0,1,0,1,0,0|1,0,0]=3 6271 B7R1.18 O=C(O)C1CCN1 MCULE-7647115314 [0,1,0,1,0,0|1,0,0]=3 6272 B7R1.18 O=C(O)C1CCO1 MCULE-6065911736 [0,1,0,1,0,0|1,0,0]=3 6273 B7R1.18 O=C(O)C1CCO1 MCULE-9296370119 [0,1,0,1,0,0|1,0,0]=3 6274 B7R1.18 O=C(O)C1CNC1 MCULE-2350328355 [0,1,0,1,0,0|1,0,0]=3 6275 B7R1.18 O=C(O)C1CNC1 MCULE-7890374869 [0,1,0,1,0,0|1,0,0]=3 6276 B7R1.18 O=C(O)C1COC1 MCULE-2530431165 [0,1,0,1,0,0|1,0,0]=3 6277 B7R1.18 O=C(O)C1CSC1 MCULE-4019152056 [0,1,0,1,0,0|1,0,0]=3 6278 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2126306157 [0,1,0,1,0,0|1,0,0]=3 6279 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2597576629 [0,1,0,1,0,0|1,0,0]=3 6280 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-6006656004 [0,1,0,1,0,0|1,0,0]=3 6281 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-7241612713 [0,1,0,1,0,0|1,0,0]=3 6282 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-5117442811 [0,1,0,1,0,0|1,0,0]=3 6283 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-8116248615 [0,1,0,1,0,0|1,0,0]=3 6284 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-3254184046 [0,1,0,1,0,0|1,0,0]=3 6285 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5162570273 [0,1,0,1,0,0|1,0,0]=3 6286 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5488052558 [0,1,0,1,0,0|1,0,0]=3 6287 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-8240936495 [0,1,0,1,0,0|1,0,0]=3 6288 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-5499247834 [0,1,0,1,0,0|1,0,0]=3 6289 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-7468207073 [0,1,0,1,0,0|1,0,0]=3 6290 B7R1.18 O=N(=O)C1CCC1 MCULE-1263563910 [0,1,0,1,0,0|1,0,0]=3 6291 B7R1.18 O=N(=O)C1COC1 MCULE-1243582303 [0,1,0,1,0,0|2,0,0]=4 6292 B7R1.18 O=S([O-])C1CCC1 MCULE-2181260614 [0,1,0,1,0,0|1,0,0]=3 6293 B7R1.18 O=S([O-])C1CCC1 MCULE-5691798035 [0,1,0,1,0,0|1,0,0]=3 6294 B7R1.18 OB(O)C1CCC1 MCULE-3574521261 [0,1,0,1,0,0|1,0,1]=4 6295 B7R1.19 CC(=O)C1(CC1)Br MCULE-6185731473 [0,1,0,1,0,0|1,0,0]=3 6296 B7R1.19 CC(=O)C1(CC1)C MCULE-8745387740 [0,1,0,1,0,0|0,0,0]=2 6297 B7R1.19 CC(=O)C1(CC1)Cl MCULE-5975776904 [0,1,0,1,0,0|1,0,0]=3 6298 B7R1.19 CC(=O)C1(CC1)F MCULE-5848997919 [0,1,0,1,0,0|1,0,0]=3 6299 B7R1.19 CC(=O)C1(CC1)N MCULE-2138315633 [0,1,0,1,0,0|1,0,0]=3 6300 B7R1.19 CC(=O)C1(CC1)N MCULE-4094057841 [0,1,0,1,0,0|1,0,0]=3 6301 B7R1.19 CC(=O)C1(CO1)C MCULE-3263824467 [0,1,0,1,0,0|1,0,0]=3 6302 B7R1.19 CC(C)C1(CO1)C MCULE-6945955143 [0,1,0,1,0,0|0,0,2]=4 6303 B7R1.19 CC(N)C1(CC1)C MCULE-5748183771 [0,1,0,1,0,0|1,0,1]=4 6304 B7R1.19 CC(N)C1(CC1)C MCULE-5829560197 [0,1,0,1,0,0|1,0,1]=4 6305 B7R1.19 CC(O)C1(CC1)C MCULE-6644959738 [0,1,0,1,0,0|0,0,2]=4 6306 B7R1.19 CC1(CC1)B(O)O MCULE-4256202693 [0,1,0,1,0,0|1,0,1]=4 6307 B7R1.19 CC1(CC1)C(=N)N MCULE-1351695314 [0,1,0,1,0,0|1,0,0]=3 6308 B7R1.19 CC1(CC1)C(=N)N MCULE-5893769308 [0,1,0,1,0,0|1,0,0]=3 6309 B7R1.19 CC1(CC1)C(=O)Cl MCULE-6881294103 [0,1,0,1,0,0|0,0,0]=2 6310 B7R1.19 CC1(CC1)C(=O)N MCULE-7674282751 [0,1,0,1,0,0|0,0,0]=2 6311 B7R1.19 CC1(CC1)C(=O)O MCULE-6220717648 [0,1,0,1,0,0|0,0,0]=2 6312 B7R1.19 CC1(CO1)C(=O)O MCULE-9344660544 [0,1,0,1,0,0|1,0,0]=3 6313 B7R1.19 CC1(CS1)C(=O)N MCULE-5046393193 [0,1,0,1,0,0|1,0,0]=3 6314 B7R1.19 NC(=O)C1(CC1)Br MCULE-5824122510 [0,1,0,1,0,0|1,0,0]=3 6315 B7R1.19 NC(=O)C1(CC1)N MCULE-3982594366 [0,1,0,1,0,0|1,0,0]=3 6316 B7R1.19 NC(=O)C1(CC1)N MCULE-7935338610 [0,1,0,1,0,0|1,0,0]=3 6317 B7R1.19 NC(=O)C1(CC1)O MCULE-6542611632 [0,1,0,1,0,0|1,0,0]=3 6318 B7R1.19 NC1(CC1)C(=O)Cl MCULE-1901749245 [0,1,0,1,0,0|1,0,0]=3 6319 B7R1.19 NC1(CC1)C(=O)Cl MCULE-4354269723 [0,1,0,1,0,0|1,0,0]=3 6320 B7R1.19 NC1(CC1)C(=O)O MCULE-8718774934 [0,1,0,1,0,0|1,0,0]=3 6321 B7R1.19 NC1(CC1)C(=O)O MCULE-8788149299 [0,1,0,1,0,0|1,0,0]=3 6322 B7R1.19 O=C(O)C1(CC1)Br MCULE-9862099846 [0,1,0,1,0,0|1,0,0]=3 6323 B7R1.19 O=C(O)C1(CC1)Cl MCULE-9183003328 [0,1,0,1,0,0|1,0,0]=3 6324 B7R1.19 O=C(O)C1(CC1)F MCULE-1230430743 [0,1,0,1,0,0|1,0,0]=3 6325 B7R1.19 O=C(O)C1(CC1)I MCULE-7977320561 [0,1,0,1,0,0|1,0,0]=3 6326 B7R1.19 O=C(O)C1(CC1)O MCULE-7923609070 [0,1,0,1,0,0|1,0,0]=3 6327 B7R1.23 C=CC1CC1(Cl)Cl MCULE-6211799378 [0,1,0,1,0,0|2,0,0]=4 6328 B7R1.23 C=CC1CC1(F)F MCULE-2774378587 [0,1,0,1,0,0|2,0,0]=4 6329 B7R1.23 CC1(CC1C#N)C MCULE-6202919210 [0,1,0,1,0,0|1,0,1]=4 6330 B7R1.23 CC1(CC1C=O)Br MCULE-1505961517 [0,1,0,1,0,0|0,0,0]=2 6331 B7R1.23 CC1(CC1C=O)C MCULE-9386051771 [0,1,0,1,0,0|0,0,0]=2 6332 B7R1.23 CC1(CC1CN)C MCULE-5243006209 [0,1,0,1,0,0|1,0,1]=4 6333 B7R1.23 CC1(CC1CN)C MCULE-8803769775 [0,1,0,1,0,0|1,0,1]=4 6334 B7R1.23 CC1(CC1CO)Br MCULE-1246890004 [0,1,0,1,0,0|0,0,2]=4 6335 B7R1.23 CC1(CC1CO)C MCULE-3855230422 [0,1,0,1,0,0|0,0,2]=4 6336 B7R1.23 CC1(C[C@@H]1CO)C MCULE-2771980454 [0,1,0,1,0,0|0,0,2]=4 6337 B7R1.23 CC1(C[C@H]1CO)C MCULE-7876524457 [0,1,0,1,0,0|0,0,2]=4 6338 B7R1.23 CNC1CC1(C)C MCULE-2392748327 [0,1,0,1,0,0|2,0,0]=4 6339 B7R1.23 CNC1CC1(C)C MCULE-6195602506 [0,1,0,1,0,0|2,0,0]=4 6340 B7R1.23 O=CC1CC1(F)F MCULE-5377082936 [0,1,0,1,0,0|1,0,0]=3 6341 B7R1.14 CC1(C=CCC1)C MCULE-9154912302 [0,1,0,1,0,0|1,0,0]=3 6342 B7R1.14 CC1(CCCC1)Br MCULE-8706490914 [0,1,0,1,0,0|1,0,1]=4 6343 B7R1.14 CC1(CCCC1)N MCULE-1696024032 [0,1,0,1,0,0|1,0,1]=4 6344 B7R1.14 CC1(CCCC1)N MCULE-7897960444 [0,1,0,1,0,0|1,0,1]=4 6345 B7R1.14 CC1(CCCC1)O MCULE-1425529053 [0,1,0,1,0,0|1,0,1]=4 6346 B7R1.14 CC1(CCCN1)C MCULE-3172250386 [0,1,0,1,0,0|2,0,0]=4 6347 B7R1.14 CC1(CCCN1)C MCULE-6227706175 [0,1,0,1,0,0|2,0,0]=4 6348 B7R1.14 CC1(CCNC1)C MCULE-3460660754 [0,1,0,1,0,0|1,0,1]=4 6349 B7R1.14 CC1(CCNC1)C MCULE-7874744806 [0,1,0,1,0,0|1,0,1]=4 6350 B7R1.14 CC1(CCNC1)C MCULE-9717378283 [0,1,0,1,0,0|1,0,1]=4 6351 B7R1.14 CC1(CCNC1)F MCULE-1205333206 [0,1,0,1,0,0|1,0,1]=4 6352 B7R1.14 CC1(CCNC1)F MCULE-8512729081 [0,1,0,1,0,0|1,0,1]=4 6353 B7R1.14 CC1(CCNC1)N MCULE-9317786482 [0,1,0,1,0,0|1,0,1]=4 6354 B7R1.14 CC1(CCNC1)N MCULE-9638120938 [0,1,0,1,0,0|1,0,1]=4 6355 B7R1.14 CC1(CCNC1)O MCULE-1812572207 [0,1,0,1,0,0|1,0,1]=4 6356 B7R1.14 CC1(CCNC1)O MCULE-3978790995 [0,1,0,1,0,0|1,0,1]=4 6357 B7R1.14 CC1(CCNC1)O MCULE-6355817754 [0,1,0,1,0,0|1,0,1]=4 6358 B7R1.14 CC1(CCNC1)O MCULE-7199660654 [0,1,0,1,0,0|1,0,1]=4 6359 B7R1.14 CC1(CCOC1)N MCULE-1997756007 [0,1,0,1,0,0|0,0,2]=4 6360 B7R1.14 CC1(CCOC1)N MCULE-5807249895 [0,1,0,1,0,0|0,0,2]=4 6361 B7R1.14 CC1(CCOC1)O MCULE-5065022086 [0,1,0,1,0,0|0,0,2]=4 6362 B7R1.14 CC1(CCSC1)O MCULE-3138867143 [0,1,0,1,0,0|0,1,1]=4 6363 B7R1.14 C[C@@]1(CCNC1)F MCULE-1340440767 [0,1,0,1,0,0|1,0,1]=4 6364 B7R1.14 C[C@@]1(CCNC1)F MCULE-5898059594 [0,1,0,1,0,0|1,0,1]=4 6365 B7R1.14 C[C@@]1(CCNC1)F MCULE-6901424312 [0,1,0,1,0,0|1,0,1]=4 6366 B7R1.14 C[C@@]1(CCNC1)F MCULE-9433824470 [0,1,0,1,0,0|1,0,1]=4 6367 B7R1.14 C[C@@]1(CCNC1)N MCULE-3652011553 [0,1,0,1,0,0|1,0,1]=4 6368 B7R1.14 C[C@@]1(CCNC1)O MCULE-2185266890 [0,1,0,1,0,0|1,0,1]=4 6369 B7R1.14 C[C@@]1(CCNC1)O MCULE-4472850857 [0,1,0,1,0,0|1,0,1]=4 6370 B7R1.14 C[C@@]1(CCNC1)O MCULE-7216590589 [0,1,0,1,0,0|1,0,1]=4 6371 B7R1.14 C[C@@]1(CCNC1)O MCULE-9031112405 [0,1,0,1,0,0|1,0,1]=4 6372 B7R1.14 C[C@]1(CCNC1)F MCULE-1291336282 [0,1,0,1,0,0|1,0,1]=4 6373 B7R1.14 C[C@]1(CCNC1)F MCULE-2571688853 [0,1,0,1,0,0|1,0,1]=4 6374 B7R1.14 C[C@]1(CCNC1)O MCULE-2513078981 [0,1,0,1,0,0|1,0,1]=4 6375 B7R1.14 C[C@]1(CCNC1)O MCULE-2837064957 [0,1,0,1,0,0|1,0,1]=4 6376 B7R1.14 C[C@]1(CCNC1)O MCULE-5133863014 [0,1,0,1,0,0|1,0,1]=4 6377 B7R1.14 C[C@]1(CCNC1)O MCULE-5887726834 [0,1,0,1,0,0|1,0,1]=4 6378 B7R1.29 BrCC1(CC1)CBr MCULE-9302900736 [0,1,0,1,0,0|1,0,1]=4 6379 B7R1.29 C#CC1(CC1)CC MCULE-9188616430 [0,1,0,1,0,0|1,0,1]=4 6380 B7R1.29 C#CC1(CC1)CN MCULE-1553453727 [0,1,0,1,0,0|1,0,1]=4 6381 B7R1.29 C#CC1(CC1)CN MCULE-5521372359 [0,1,0,1,0,0|1,0,1]=4 6382 B7R1.29 C#CC1(CC1)CO MCULE-3782455933 [0,1,0,1,0,0|1,0,1]=4 6383 B7R1.29 CCC1(CC1)C=O MCULE-9240015002 [0,1,0,1,0,0|0,0,0]=2 6384 B7R1.29 CCC1(CC1)CN MCULE-8933224772 [0,1,0,1,0,0|1,0,1]=4 6385 B7R1.29 CCC1(CC1)CN MCULE-9807366848 [0,1,0,1,0,0|1,0,1]=4 6386 B7R1.29 CCC1(CC1)CO MCULE-9504231451 [0,1,0,1,0,0|0,0,2]=4 6387 B7R1.29 CCC1(CO1)CC MCULE-2752448684 [0,1,0,1,0,0|0,0,2]=4 6388 B7R1.29 CCC1(CO1)CCl MCULE-4256565008 [0,1,0,1,0,0|0,0,2]=4 6389 B7R1.29 CCC1(N=N1)CN MCULE-7681564664 [0,1,0,1,0,0|2,0,0]=4 6390 B7R1.29 CNC1(CC1)C#N MCULE-5300403662 [0,1,0,1,0,0|1,0,1]=4 6391 B7R1.29 CNC1(CC1)CO MCULE-4219156771 [0,1,0,1,0,0|0,0,2]=4 6392 B7R1.29 CNC1(CC1)CO MCULE-5369462554 [0,1,0,1,0,0|0,0,2]=4 6393 B7R1.29 COC1(CC1)C=O MCULE-7427428769 [0,1,0,1,0,0|0,0,0]=2 6394 B7R1.29 COC1(CC1)CBr MCULE-1871702494 [0,1,0,1,0,0|1,0,1]=4 6395 B7R1.29 COC1(CC1)CN MCULE-6599214469 [0,1,0,1,0,0|1,0,1]=4 6396 B7R1.29 COC1(CC1)CN MCULE-9855004613 [0,1,0,1,0,0|1,0,1]=4 6397 B7R1.29 COC1(CC1)CO MCULE-7482266883 [0,1,0,1,0,0|0,0,2]=4 6398 B7R1.29 CSC1(CC1)C#N MCULE-5023027495 [0,1,0,1,0,0|1,0,1]=4 6399 B7R1.29 CSC1(CC1)C=O MCULE-8407600042 [0,1,0,1,0,0|0,0,0]=2 6400 B7R1.29 CSC1(CC1)CN MCULE-3914494738 [0,1,0,1,0,0|1,0,1]=4 6401 B7R1.29 CSC1(CC1)CO MCULE-4468826717 [0,1,0,1,0,0|0,0,2]=4 6402 B7R1.29 ClCC1(CC1)CCl MCULE-3473173966 [0,1,0,1,0,0|1,0,1]=4 6403 B7R1.29 ICC1(CC1)CI MCULE-8238730600 [0,1,0,1,0,0|1,0,1]=4 6404 B7R1.29 N#CC1(CC1)C=O MCULE-5778696889 [0,1,0,1,0,0|0,0,1]=3 6405 B7R1.29 N#CC1(CC1)CBr MCULE-7346163902 [0,1,0,1,0,0|1,0,1]=4 6406 B7R1.29 N#CC1(CC1)CCl MCULE-5054375772 [0,1,0,1,0,0|1,0,1]=4 6407 B7R1.29 N#CC1(CC1)CF MCULE-4765616602 [0,1,0,1,0,0|1,0,1]=4 6408 B7R1.29 N#CC1(CC1)CN MCULE-4380201316 [0,1,0,1,0,0|1,0,1]=4 6409 B7R1.29 N#CC1(CC1)CN MCULE-4457337204 [0,1,0,1,0,0|1,0,1]=4 6410 B7R1.29 N#CC1(CC1)CO MCULE-4061593735 [0,1,0,1,0,0|1,0,1]=4 6411 B7R1.29 NCC1(CC1)CBr MCULE-2017861349 [0,1,0,1,0,0|1,0,1]=4 6412 B7R1.29 NCC1(CC1)CBr MCULE-6241335370 [0,1,0,1,0,0|1,0,1]=4 6413 B7R1.29 NCC1(CC1)CN MCULE-4214498869 [0,1,0,1,0,0|1,0,1]=4 6414 B7R1.29 NCC1(CC1)CN MCULE-8299727221 [0,1,0,1,0,0|1,0,1]=4 6415 B7R1.29 NCC1(CC1)CO MCULE-1328630482 [0,1,0,1,0,0|0,0,2]=4 6416 B7R1.29 NCC1(CC1)CO MCULE-3970508474 [0,1,0,1,0,0|0,0,2]=4 6417 B7R1.29 O=CC1(CC1)CF MCULE-6887466124 [0,1,0,1,0,0|0,0,0]=2 6418 B7R1.29 OCC1(CC1)CF MCULE-1670499766 [0,1,0,1,0,0|0,0,2]=4 6419 B7R1.29 OCC1(CC1)CO MCULE-9312932144 [0,1,0,1,0,0|0,0,2]=4 6420 B7R2.11 C1CC2CC1N2 MCULE-6529016485 [0,0,0,2,0,0|2,0,0]=4 6421 B7R2.11 C1CC2CC1N2 MCULE-7997985442 [0,0,0,2,0,0|2,0,0]=4 6422 B7R2.11 C1NC2CC1C2 MCULE-3826765557 [0,0,0,2,0,0|1,0,1]=4 6423 B7R2.11 C1NC2CC1C2 MCULE-4168683722 [0,0,0,2,0,0|1,0,1]=4 6424 B7R2.13 C1=CC2OC2C1 MCULE-9601635666 [0,0,0,2,0,0|2,0,0]=4 6425 B7R2.13 C1CC2CC2C1 MCULE-4998824123 [0,0,0,2,0,0|1,0,1]=4 6426 B7R2.13 C1CC2CC2N1 MCULE-5625544754 [0,0,0,2,0,0|1,0,1]=4 6427 B7R2.13 C1CC2CC2N1 MCULE-6822939101 [0,0,0,2,0,0|1,0,1]=4 6428 B7R2.13 C1NCC2C1C2 MCULE-5688427614 [0,0,0,2,0,0|1,0,1]=4 6429 B7R2.13 C1NCC2C1C2 MCULE-7833686848 [0,0,0,2,0,0|1,0,1]=4 6430 B7R2.13 C1NC[C@H]2[C@@H]1C2 MCULE-2763696860 [0,0,0,2,0,0|1,0,1]=4 6431 B7R2.16 C1CC12CNC2 MCULE-1662267844 [0,0,0,2,0,0|1,0,1]=4 6432 B7R2.16 C1CC12CNC2 MCULE-4114455551 [0,0,0,2,0,0|1,0,1]=4 6433 B7R2.16 C1CC12CNC2 MCULE-4499246227 [0,0,0,2,0,0|1,0,1]=4 6434 B7R2.16 C1CC12CNC2 MCULE-7427814071 [0,0,0,2,0,0|1,0,1]=4 6435 B7R2.16 C1CC2(C1)CO2 MCULE-6375096145 [0,0,0,2,0,0|0,0,2]=4 6436 B7R2.16 C1CC2(N1)CC2 MCULE-7587259458 [0,0,0,2,0,0|2,0,0]=4 6437 B7R2.16 C1CC2(N1)CC2 MCULE-8557810491 [0,0,0,2,0,0|2,0,0]=4 6438 B7R2.3 BrC1CC12CC2 MCULE-6919212225 [0,0,0,2,0,0|1,0,1]=4 6439 B7R2.3 NC1CC12CC2 MCULE-4664631556 [0,0,0,2,0,0|1,0,1]=4 6440 B7R2.3 NC1CC12CC2 MCULE-7886006711 [0,0,0,2,0,0|1,0,1]=4