0 B12R1.652 CC1=C(C(=C(C=N1)C=O)C=O)O MCULE-2922246295 [0,0,0,0,0,0|0,0,2]=2 1 B12R1.652 CC1=C(C(=C(C=N1)C=O)C=O)O MCULE-6251852036 [0,0,0,0,0,0|0,0,2]=2 2 B12R1.652 CC1=C(C(=C(C=N1)CCl)CCl)O MCULE-7193989282 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.652 CC1=C(C(=C(C=N1)CCl)CCl)O MCULE-8288422927 [0,0,0,0,0,0|2,0,1]=3 4 B12R1.652 CC1=C(C(=C(C=N1)CO)C=O)O MCULE-3872885941 [0,0,0,0,0,0|0,0,0]=0 5 B12R1.652 CC1=C(C(=C(C=N1)CO)CS)O MCULE-6911188694 [0,0,0,0,0,0|0,1,1]=2 6 B12R1.652 CC1=C(C(=C(C=N1)CO)CS)O MCULE-8309751935 [0,0,0,0,0,0|0,1,1]=2 7 B12R1.652 CC1=NC=C(C(=C1O)C=O)CO MCULE-8283890626 [0,0,0,0,0,0|0,0,0]=0 8 B12R1.652 CC1=NC=C(C(=C1O)CN)CO MCULE-1085128102 [0,0,0,0,0,0|1,0,1]=2 9 B12R1.652 CC1=NC=C(C(=C1O)CN)CO MCULE-4947422460 [0,0,0,0,0,0|1,0,1]=2 10 B12R1.652 CC1=NC=C(C(=C1O)CN)CO MCULE-8801502741 [0,0,0,0,0,0|1,0,1]=2 11 B12R1.652 CC1=NC=C(C(=C1O)CO)CCl MCULE-1761208346 [0,0,0,0,0,0|1,0,2]=3 12 B12R1.652 CC1=NC=C(C(=C1O)CO)CCl MCULE-9443635992 [0,0,0,0,0,0|1,0,2]=3 13 B12R1.652 CC1=NC=C(C(=C1O)CO)CO MCULE-3103603321 [0,0,0,0,0,0|0,0,2]=2 14 B12R1.652 CC1=NC=C(C(=C1O)CO)CO MCULE-7725975962 [0,0,0,0,0,0|0,0,2]=2 15 B12R1.652 COC1=C(C(=C(C=C1)C)F)C=O MCULE-9133595820 [0,0,0,0,0,0|4,0,0]=4 16 B12R1.652 COC1=C(C(=CC=C1CO)C)Cl MCULE-9620164717 [0,0,0,0,0,0|4,0,0]=4 17 B12R1.652 COC1=C(C=CC(=C1F)C)CO MCULE-7553651601 [0,0,0,0,0,0|4,0,0]=4 18 B12R1.652 CSC1=C(C(=CC=C1CO)C)F MCULE-8420764129 [0,0,0,0,0,0|4,0,0]=4 19 B12R1.652 NC1=C(C(=C(C=N1)CO)CO)O MCULE-6412680487 [0,0,0,0,0,0|1,0,2]=3 20 B12R1.652 [NH3+]C1=C(C(=C(C=N1)CO)CO)O MCULE-4741182087 [0,0,0,0,0,0|1,0,2]=3 21 B11R1.37 CC1=CC(=C(C=C1)C=O)C=O MCULE-6694975606 [1,0,0,0,0,0|1,0,2]=4 22 B11R1.37 CCC1=CC(=CC=C1CO)C MCULE-1081322824 [1,0,0,0,0,0|2,0,1]=4 23 B11R1.37 CCC1=CC=C(C=C1C=O)Br MCULE-8791196596 [1,0,0,0,0,0|3,0,0]=4 24 B11R1.37 CCC1=CC=C(C=C1C=O)O MCULE-7875065777 [1,0,0,0,0,0|3,0,0]=4 25 B11R1.37 CCC1=CN=C(C=C1C#N)C MCULE-2058333328 [1,0,0,0,0,0|2,0,1]=4 26 B11R1.37 CNC1=C(C=C(C=C1)C)C=O MCULE-1730161823 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.37 CNC1=C(C=NC(=C1)Cl)CO MCULE-4351131729 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.37 CNC1=C(C=NC(=C1)F)CO MCULE-2457096152 [1,0,0,0,0,0|3,0,0]=4 29 B11R1.37 COC1=C(C=C(C=C1)C)C=O MCULE-6643659196 [1,0,0,0,0,0|3,0,0]=4 30 B11R1.37 COC1=C(C=C(N=C1)C)C=O MCULE-7092781414 [1,0,0,0,0,0|2,0,0]=3 31 B11R1.37 COC1=C(C=NC(=C1)Cl)CO MCULE-9699038553 [1,0,0,0,0,0|3,0,0]=4 32 B11R1.37 COC1=CC(=CC=C1CO)C MCULE-7355918467 [1,0,0,0,0,0|3,0,0]=4 33 B11R1.37 COC1=CC(=NC=C1CO)C MCULE-8117545455 [1,0,0,0,0,0|2,0,0]=3 34 B11R1.37 COC1=CN=C(C=C1C=O)Cl MCULE-6889557479 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.37 COC1=CN=C(C=C1C=O)F MCULE-2385742115 [1,0,0,0,0,0|3,0,0]=4 36 B11R1.37 O=CC1=C(C=CC(=C1)F)CBr MCULE-1334456698 [1,0,0,0,0,0|3,0,0]=4 37 B11R1.37 O=CC1=CC(=CC=C1CBr)Cl MCULE-4549023791 [1,0,0,0,0,0|3,0,0]=4 38 B11R1.72 CC1=C(C(=C(C=C1)Br)C)C=O MCULE-7023331250 [1,0,0,0,0,0|3,0,0]=4 39 B11R1.72 CC1=C(C(=C(C=C1)Br)C=O)Cl MCULE-3583117830 [1,0,0,0,0,0|3,0,0]=4 40 B11R1.72 CC1=C(C(=C(C=C1)Br)F)C=O MCULE-2128289883 [1,0,0,0,0,0|3,0,0]=4 41 B11R1.72 CC1=C(C(=C(C=C1)Br)O)C=O MCULE-8587571808 [1,0,0,0,0,0|2,0,0]=3 42 B11R1.72 CC1=C(C(=C(C=C1)C)C=O)O MCULE-3144313587 [1,0,0,0,0,0|1,0,0]=2 43 B11R1.72 CC1=C(C(=C(C=C1)Cl)C=O)Br MCULE-8600952921 [1,0,0,0,0,0|3,0,0]=4 44 B11R1.72 CC1=C(C(=C(C=C1)Cl)C=O)Cl MCULE-2251123111 [1,0,0,0,0,0|3,0,0]=4 45 B11R1.72 CC1=C(C(=C(C=C1)Cl)C=O)F MCULE-1728079148 [1,0,0,0,0,0|3,0,0]=4 46 B11R1.72 CC1=C(C(=C(C=C1)Cl)C=O)N MCULE-1306549992 [1,0,0,0,0,0|3,0,0]=4 47 B11R1.72 CC1=C(C(=C(C=C1)F)C)C=O MCULE-8437667618 [1,0,0,0,0,0|3,0,0]=4 48 B11R1.72 CC1=C(C(=C(C=C1)F)C=O)Br MCULE-5475017154 [1,0,0,0,0,0|3,0,0]=4 49 B11R1.72 CC1=C(C(=C(C=C1)F)C=O)C MCULE-9170961073 [1,0,0,0,0,0|3,0,0]=4 50 B11R1.72 CC1=C(C(=C(C=C1)F)C=O)Cl MCULE-3690907399 [1,0,0,0,0,0|3,0,0]=4 51 B11R1.72 CC1=C(C(=C(C=C1)F)C=O)F MCULE-4402943584 [1,0,0,0,0,0|3,0,0]=4 52 B11R1.72 CC1=C(C(=C(C=C1)F)C=O)O MCULE-3194576189 [1,0,0,0,0,0|2,0,0]=3 53 B11R1.72 CC1=C(C(=C(C=C1)F)F)C=O MCULE-7556507770 [1,0,0,0,0,0|3,0,0]=4 54 B11R1.72 CC1=C(C(=C(C=C1)F)O)C=O MCULE-9638570444 [1,0,0,0,0,0|2,0,0]=3 55 B11R1.72 CC1=C(C(=C(C=C1)O)C=O)F MCULE-7086963723 [1,0,0,0,0,0|2,0,0]=3 56 B11R1.72 CC1=C(C(=C(C=C1)O)F)C=O MCULE-6573031178 [1,0,0,0,0,0|3,0,0]=4 57 B11R1.72 CC1=C(C(=C(N=C1)C)O)C=O MCULE-3965274166 [1,0,0,0,0,0|0,0,0]=1 58 B11R1.72 CC1=C(C(=CC=C1Br)O)C=O MCULE-1219785328 [1,0,0,0,0,0|3,0,0]=4 59 B11R1.72 CC1=C(C=CC(=C1C=O)O)F MCULE-2629603378 [1,0,0,0,0,0|3,0,0]=4 60 B11R1.72 CC1=CC=C(C(=C1Br)C=O)O MCULE-8898195762 [1,0,0,0,0,0|2,0,0]=3 61 B11R1.72 CC1=CC=C(C(=C1F)C=O)Br MCULE-8683525775 [1,0,0,0,0,0|3,0,0]=4 62 B11R1.72 CC1=NC=C(C(=C1Br)C=O)F MCULE-9660924431 [1,0,0,0,0,0|2,0,0]=3 63 B11R1.72 CC1=NC=C(C(=C1F)C=O)Br MCULE-5689715317 [1,0,0,0,0,0|2,0,0]=3 64 B11R1.72 COC1=C(C(=NC=C1C)C)C MCULE-6181388431 [1,0,0,0,0,0|3,0,0]=4 65 B11R1.72 O=CC1=C(C(=CC=C1Cl)Br)O MCULE-6065776082 [1,0,0,0,0,0|3,0,0]=4 66 B11R1.72 O=CC1=C(C(=CC=C1Cl)Cl)O MCULE-9313299863 [1,0,0,0,0,0|3,0,0]=4 67 B11R1.72 O=CC1=C(C(=CC=C1F)Br)O MCULE-1777095688 [1,0,0,0,0,0|3,0,0]=4 68 B11R1.72 O=CC1=C(C(=CC=C1F)Cl)O MCULE-7676424643 [1,0,0,0,0,0|3,0,0]=4 69 B11R1.72 O=CC1=C(C(=CC=C1O)Br)Cl MCULE-8455157183 [1,0,0,0,0,0|3,0,0]=4 70 B11R1.72 O=CC1=C(C(=CC=C1O)Cl)Br MCULE-9040933817 [1,0,0,0,0,0|3,0,0]=4 71 B11R1.72 O=CC1=C(C(=CC=C1O)Cl)Cl MCULE-1326459190 [1,0,0,0,0,0|3,0,0]=4 72 B11R1.72 O=CC1=C(C(=CC=C1O)F)F MCULE-5963907421 [1,0,0,0,0,0|3,0,0]=4 73 B11R1.72 O=CC1=C(C(=CC=C1O)O)Br MCULE-9553950104 [1,0,0,0,0,0|3,0,0]=4 74 B11R1.72 O=CC1=C(C(=NC=C1Br)F)Br MCULE-4802302437 [1,0,0,0,0,0|3,0,0]=4 75 B11R1.72 O=CC1=C(C(=NC=C1Br)F)F MCULE-7787963260 [1,0,0,0,0,0|3,0,0]=4 76 B11R1.72 O=CC1=C(C(=NC=C1Cl)Br)Br MCULE-9637780856 [1,0,0,0,0,0|3,0,0]=4 77 B11R1.72 O=CC1=C(C(=NC=C1Cl)Cl)Cl MCULE-1421179987 [1,0,0,0,0,0|3,0,0]=4 78 B11R1.72 O=CC1=C(C(=NC=C1Cl)F)Br MCULE-7150356274 [1,0,0,0,0,0|3,0,0]=4 79 B11R1.72 O=CC1=C(C(=NC=C1F)Br)Cl MCULE-7712154241 [1,0,0,0,0,0|3,0,0]=4 80 B11R1.72 O=CC1=C(C(=NC=C1F)Br)F MCULE-5639762915 [1,0,0,0,0,0|3,0,0]=4 81 B11R1.72 O=CC1=C(C(=NC=C1F)F)F MCULE-5992153587 [1,0,0,0,0,0|3,0,0]=4 82 B11R1.72 O=CC1=C(C=CC(=C1Br)F)O MCULE-3636397541 [1,0,0,0,0,0|3,0,0]=4 83 B11R1.72 O=CC1=C(C=CC(=C1Cl)F)O MCULE-6374157799 [1,0,0,0,0,0|3,0,0]=4 84 B11R1.72 O=CC1=C(C=CC(=C1F)Br)O MCULE-6987316043 [1,0,0,0,0,0|3,0,0]=4 85 B11R1.72 O=CC1=C(C=CC(=C1F)Cl)O MCULE-4253718952 [1,0,0,0,0,0|3,0,0]=4 86 B11R1.72 O=CC1=C(C=CC(=C1O)F)Br MCULE-2703770185 [1,0,0,0,0,0|3,0,0]=4 87 B11R1.72 O=CC1=C(C=CC(=C1O)F)F MCULE-9605672783 [1,0,0,0,0,0|3,0,0]=4 88 B11R1.72 O=CC1=C(C=CC(=C1O)I)I MCULE-1805960660 [1,0,0,0,0,0|3,0,0]=4 89 B11R1.72 O=CC1=C(C=NC(=C1Br)Br)F MCULE-1587590694 [1,0,0,0,0,0|3,0,0]=4 90 B11R1.72 O=CC1=C(C=NC(=C1Br)Cl)F MCULE-3627536901 [1,0,0,0,0,0|3,0,0]=4 91 B11R1.72 O=CC1=C(C=NC(=C1Cl)Br)Cl MCULE-4430953082 [1,0,0,0,0,0|3,0,0]=4 92 B11R1.72 O=CC1=C(C=NC(=C1Cl)F)Br MCULE-2154101615 [1,0,0,0,0,0|3,0,0]=4 93 B11R1.72 O=CC1=C(C=NC(=C1Cl)F)Cl MCULE-7563245023 [1,0,0,0,0,0|3,0,0]=4 94 B11R1.72 O=CC1=C(C=NC(=C1F)Br)Br MCULE-5059282495 [1,0,0,0,0,0|3,0,0]=4 95 B11R1.72 O=CC1=C(C=NC(=C1F)Br)Cl MCULE-3046977887 [1,0,0,0,0,0|3,0,0]=4 96 B11R1.72 O=CC1=C(C=NC(=C1F)Cl)Br MCULE-9909433811 [1,0,0,0,0,0|3,0,0]=4 97 B11R1.72 O=CC1=C(C=NC(=C1F)F)Cl MCULE-2774542040 [1,0,0,0,0,0|3,0,0]=4 98 B11R1.265 CCC1=C(C(=CC=C1)C)C=O MCULE-7166422581 [1,0,0,0,0,0|3,0,0]=4 99 B11R1.265 CCC1=C(C(=CC=C1)Cl)C=O MCULE-9618605168 [1,0,0,0,0,0|3,0,0]=4 100 B11R1.265 CCC1=C(C(=CC=C1)F)C=O MCULE-7791794647 [1,0,0,0,0,0|3,0,0]=4 101 B11R1.265 CCC1=C(C=NC=C1Br)CO MCULE-2038598013 [1,0,0,0,0,0|2,0,1]=4 102 B11R1.265 CCC1=CC=CC(=C1C=O)O MCULE-4579562683 [1,0,0,0,0,0|2,0,0]=3 103 B11R1.265 COC1=C(C(=CC=C1)O)C=O MCULE-2946849165 [1,0,0,0,0,0|3,0,0]=4 104 B11R1.265 COC1=C(C(=CN=C1)Br)C=O MCULE-7679192848 [1,0,0,0,0,0|3,0,0]=4 105 B11R1.265 COC1=C(C(=CN=C1)Cl)C=O MCULE-6458062348 [1,0,0,0,0,0|3,0,0]=4 106 B11R1.265 COC1=C(C(=CN=C1)F)C=O MCULE-1809558989 [1,0,0,0,0,0|3,0,0]=4 107 B11R1.265 COC1=C(C(=CN=C1)O)C=O MCULE-7778797030 [1,0,0,0,0,0|2,0,0]=3 108 B11R1.265 O=CC1=C(C=CC=C1CBr)Cl MCULE-8315057588 [1,0,0,0,0,0|3,0,0]=4 109 B11R1.278 CC1=C(C(=C(C=N1)CN)C)C MCULE-1595250897 [1,0,0,0,0,0|2,0,1]=4 110 B11R1.278 CC1=C(C(=C(C=N1)CN)C)N MCULE-5247749721 [1,0,0,0,0,0|2,0,1]=4 111 B11R1.278 CC1=C(C(=C(C=N1)CN)C)N MCULE-9564187484 [1,0,0,0,0,0|2,0,1]=4 112 B11R1.278 CC1=CC=C(C(=C1Br)C)CO MCULE-5603867002 [1,0,0,0,0,0|2,0,1]=4 113 B11R1.278 CC1=CC=C(C(=C1Br)N)CO MCULE-3639965011 [1,0,0,0,0,0|3,0,0]=4 114 B11R1.278 CC1=CC=C(C(=C1C)N)CO MCULE-9070257383 [1,0,0,0,0,0|3,0,0]=4 115 B11R1.278 CC1=CC=C(C(=C1Cl)C)CO MCULE-2670759629 [1,0,0,0,0,0|2,0,1]=4 116 B11R1.278 CC1=CC=C(C(=C1Cl)Cl)CO MCULE-3222373303 [1,0,0,0,0,0|3,0,0]=4 117 B11R1.278 CC1=CC=C(C(=C1F)C)CO MCULE-8967450857 [1,0,0,0,0,0|2,0,1]=4 118 B11R1.278 CC1=CC=C(C(=C1F)F)CO MCULE-8193609062 [1,0,0,0,0,0|3,0,0]=4 119 B11R1.278 CC1=NC=C(C(=C1O)C)CCl MCULE-8783367195 [1,0,0,0,0,0|1,0,1]=3 120 B11R1.278 CC1=NC=C(C(=C1O)C)CO MCULE-4791595565 [1,0,0,0,0,0|0,0,1]=2 121 B11R1.278 CC1=NC=C(C(=C1O)C)CO MCULE-7966901171 [1,0,0,0,0,0|0,0,1]=2 122 B11R1.278 COC1=CN=C(C(=C1C)O)C MCULE-1742538905 [1,0,0,0,0,0|2,0,1]=4 123 B11R1.278 OCC1=C(C(=C(C=C1)Cl)O)F MCULE-3729735622 [1,0,0,0,0,0|3,0,0]=4 124 B13R1.422 CCC1=CC(=C(C(=C1C=O)O)C)O MCULE-5737639373 [0,1,0,0,0,0|2,0,0]=3 125 B13R1.1253 CCOC1=C(C(=C(C=C1)C)F)C=O MCULE-7229713798 [0,1,0,0,0,0|3,0,0]=4 126 B13R1.2279 CC1=C(C(=C(C=N1)CO)[C@@H](C)N)O MCULE-6822690421 [0,1,0,0,0,0|1,0,1]=3 127 B13R1.2279 CC1=C(C(=C(C=N1)CO)[C@@H](C)N)O MCULE-6944961830 [0,1,0,0,0,0|1,0,1]=3 128 B13R1.2279 CC1=C(C(=C(C=N1)CO)[C@H](C)N)O MCULE-6550779551 [0,1,0,0,0,0|1,0,1]=3 129 B13R1.2279 CC1=C(C(=C(C=N1)CO)[C@H](C)N)O MCULE-8043907206 [0,1,0,0,0,0|1,0,1]=3 130 B13R1.2279 CC1=NC=C(C(=C1O)C(=O)O)CO MCULE-2424775834 [0,1,0,0,0,0|0,0,0]=1 131 B13R1.2422 COC1=C(C(=C(C=C1)OC)C=O)O MCULE-8009156049 [0,1,0,0,0,0|3,0,0]=4 132 B13R1.3158 CC1=C(C(=C(C=C1)B(O)O)C=O)Cl MCULE-8228971306 [0,1,0,0,0,0|3,0,0]=4 133 B13R1.3158 CC1=C(C(=C(C=C1)B(O)O)C=O)F MCULE-2806592023 [0,1,0,0,0,0|3,0,0]=4 134 B13R1.3158 CC1=C(C(=C(C=C1)C(=O)O)C=O)F MCULE-9482368984 [0,1,0,0,0,0|2,0,1]=4 135 B13R1.3972 CC1=NC=C(C(=C1O)C=NO)CO MCULE-2257676282 [0,1,0,0,0,0|0,0,1]=2 136 B13R1.3972 COCC1=C(C(=NC=C1CCl)C)O MCULE-5097353280 [0,1,0,0,0,0|1,0,2]=4 137 B13R1.3972 COCC1=C(C(=NC=C1CCl)C)O MCULE-5326333053 [0,1,0,0,0,0|1,0,2]=4 138 B13R1.3972 COCC1=C(C=NC(=C1O)C)CO MCULE-4406850042 [0,1,0,0,0,0|0,0,2]=3 139 B13R2.32 CC1=C(C2=C(C=CC=C2)C=N1)O MCULE-8762346421 [0,0,0,1,0,0|2,0,1]=4 140 B13R2.611 CC1=C2NC=CC2=C(C=C1)CO MCULE-6415219768 [0,0,0,1,0,0|3,0,0]=4 141 B13R2.3790 CC1=C(C2=C(C=C1)CCC2=O)Br MCULE-2336902355 [0,0,0,1,0,0|3,0,0]=4 142 B13R2.3790 CC1=C(C2=C(C=C1)CCC2=O)C MCULE-5083004662 [0,0,0,1,0,0|3,0,0]=4 143 B13R2.3790 CC1=C(C2=C(C=C1)CCC2=O)F MCULE-6158657132 [0,0,0,1,0,0|3,0,0]=4 144 B13R2.3790 CC1=C(C2=C(C=N1)COC2=O)O MCULE-9060321811 [0,0,0,1,0,0|0,0,0]=1 145 B13R2.3790 NC1=C(C=CC2=C1C(=O)OC2)Br MCULE-6731611629 [0,0,0,1,0,0|3,0,0]=4 146 B13R2.3790 NC1=C(C=CC2=C1C(=O)OC2)Cl MCULE-7296638454 [0,0,0,1,0,0|3,0,0]=4 147 B13R2.3790 O=C1CCC2=CC=C(C(=C12)O)F MCULE-6028780461 [0,0,0,1,0,0|3,0,0]=4 148 B13R2.3790 O=C1OCC2=C1C(=C(C=C2)Br)F MCULE-6724153170 [0,0,0,1,0,0|3,0,0]=4 149 B11R1.976 CCC1=NN(C(=C1C=O)Cl)C MCULE-9156502726 [0,0,0,0,1,0|3,0,0]=4 150 B11R1.976 CCN1N=C(C(=C1C=O)Cl)C MCULE-2898390662 [0,0,0,0,1,0|3,0,0]=4 151 B11R1.976 CN1N=C(C(=C1Cl)C=O)CCl MCULE-8630435767 [0,0,0,0,1,0|3,0,0]=4 152 B10R1.20 C#CC1=CN=CC=C1C=O MCULE-3902532576 [2,0,0,0,0,0|1,0,1]=4 153 B10R1.20 C=CC1=C(C=CC=C1)CO MCULE-8762356225 [2,0,0,0,0,0|2,0,0]=4 154 B10R1.20 CCC1=CC=CC=C1C=O MCULE-7976846390 [2,0,0,0,0,0|2,0,0]=4 155 B10R1.20 COC1=C(C=CN=C1)C=O MCULE-3201655309 [2,0,0,0,0,0|2,0,0]=4 156 B10R1.20 COC1=C(C=NC=C1)CO MCULE-2979403921 [2,0,0,0,0,0|2,0,0]=4 157 B10R1.20 N#CC1=CN=CC=C1C=O MCULE-5797612388 [2,0,0,0,0,0|1,0,1]=4 158 B10R1.20 O=CC1=CC=CC=C1CBr MCULE-4655938516 [2,0,0,0,0,0|2,0,0]=4 159 B10R1.20 O=CC1=CC=CC=C1CCl MCULE-4150580877 [2,0,0,0,0,0|2,0,0]=4 160 B10R1.20 O=CC1=CC=CC=C1CO MCULE-9613292492 [2,0,0,0,0,0|1,0,0]=3 161 B10R1.20 OCC1=C(C=NC=C1)CO MCULE-4413882229 [2,0,0,0,0,0|0,0,2]=4 162 B10R1.20 OCC1=C(C=NC=C1)CO MCULE-6254564988 [2,0,0,0,0,0|0,0,2]=4 163 B10R1.25 CC1=C(C=NC(=C1)Br)CO MCULE-1665582907 [2,0,0,0,0,0|1,0,1]=4 164 B10R1.25 CC1=C(C=NC(=C1)Cl)CO MCULE-3997944479 [2,0,0,0,0,0|1,0,1]=4 165 B10R1.25 CC1=C(C=NC(=C1)F)CO MCULE-4580897837 [2,0,0,0,0,0|1,0,1]=4 166 B10R1.25 CC1=CC(=C(C=C1)CO)C MCULE-2451393868 [2,0,0,0,0,0|1,0,1]=4 167 B10R1.25 CC1=CC(=C(C=C1)CO)Cl MCULE-3675612250 [2,0,0,0,0,0|2,0,0]=4 168 B10R1.25 CC1=CC(=C(C=C1)CO)F MCULE-7872790573 [2,0,0,0,0,0|2,0,0]=4 169 B10R1.25 CC1=CC(=C(C=N1)CCl)C MCULE-4073897222 [2,0,0,0,0,0|1,0,1]=4 170 B10R1.25 CC1=CC(=C(C=N1)CCl)N MCULE-5708955661 [2,0,0,0,0,0|2,0,0]=4 171 B10R1.25 CC1=CC(=C(C=N1)CCl)N MCULE-6064127189 [2,0,0,0,0,0|2,0,0]=4 172 B10R1.25 CC1=CC(=C(C=N1)CO)C MCULE-6181892825 [2,0,0,0,0,0|0,0,1]=3 173 B10R1.25 CC1=CC(=NC=C1CBr)C MCULE-8803309230 [2,0,0,0,0,0|1,0,1]=4 174 B10R1.25 CC1=CC(=NC=C1CN)C MCULE-1059612655 [2,0,0,0,0,0|1,0,1]=4 175 B10R1.25 CC1=CC(=NC=C1CN)C MCULE-3253389046 [2,0,0,0,0,0|1,0,1]=4 176 B10R1.25 CC1=CC(=NC=C1CN)C MCULE-7385979386 [2,0,0,0,0,0|1,0,1]=4 177 B10R1.25 CC1=CC(=O)C(=NN1)CO MCULE-2370151007 [2,0,0,0,0,0|1,0,1]=4 178 B10R1.25 CC1=CC=C(C(=C1)Br)CO MCULE-1819808472 [2,0,0,0,0,0|2,0,0]=4 179 B10R1.25 CC1=CC=C(C(=C1)I)CO MCULE-4664304083 [2,0,0,0,0,0|2,0,0]=4 180 B10R1.25 CC1=CC=C(C(=C1)N)CO MCULE-5587670457 [2,0,0,0,0,0|2,0,0]=4 181 B10R1.25 CC1=CC=C(C(=C1)O)CO MCULE-4699644155 [2,0,0,0,0,0|1,0,1]=4 182 B10R1.25 CC1=NC(=C(C=N1)CO)C MCULE-7077169686 [2,0,0,0,0,0|1,0,1]=4 183 B10R1.25 CC1=NC(=O)C(=CN1)CO MCULE-6660169688 [2,0,0,0,0,0|1,0,1]=4 184 B10R1.25 CC1=NC(=O)C(C=N1)CO MCULE-4225131963 [2,0,0,0,0,0|1,0,1]=4 185 B10R1.25 CC1=NC=C(C(=C1)N)CO MCULE-2423511095 [2,0,0,0,0,0|1,0,0]=3 186 B10R1.25 CC1=NC=C(C(=N1)N)CO MCULE-6319992901 [2,0,0,0,0,0|2,0,0]=4 187 B10R1.25 CC1=NC=C(C(=N1)N)CO MCULE-7050395274 [2,0,0,0,0,0|2,0,0]=4 188 B10R1.25 CCC1=CN=C(C=C1Br)C MCULE-2002626272 [2,0,0,0,0,0|2,0,0]=4 189 B10R1.25 CCC1=CN=C(C=C1N)C MCULE-5259442543 [2,0,0,0,0,0|2,0,0]=4 190 B10R1.25 NC1=C(C=NC(=C1)Cl)CO MCULE-6782763868 [2,0,0,0,0,0|2,0,0]=4 191 B10R1.25 OCC1=C(C=C(N=C1)Br)Br MCULE-9267849890 [2,0,0,0,0,0|2,0,0]=4 192 B10R1.25 OCC1=C(C=C(N=C1)Br)Cl MCULE-9808703956 [2,0,0,0,0,0|2,0,0]=4 193 B10R1.25 OCC1=CN=C(C=C1Cl)Cl MCULE-7090190280 [2,0,0,0,0,0|2,0,0]=4 194 B10R1.30 C=CC1=C(C=CC(=C1)C)C MCULE-1256375998 [2,0,0,0,0,0|2,0,0]=4 195 B10R1.30 CC1=C(C=C(C=C1)Cl)C=O MCULE-2019560109 [2,0,0,0,0,0|2,0,0]=4 196 B10R1.30 CC1=C(C=C(C=C1)F)C=O MCULE-6990635185 [2,0,0,0,0,0|2,0,0]=4 197 B10R1.30 CC1=C(C=C(C=C1)I)C=O MCULE-3979250060 [2,0,0,0,0,0|2,0,0]=4 198 B10R1.30 CC1=C(C=C(N=C1)Cl)C=O MCULE-2828873907 [2,0,0,0,0,0|1,0,0]=3 199 B10R1.30 CC1=C(C=C(N=C1)F)C=O MCULE-7221346498 [2,0,0,0,0,0|1,0,0]=3 200 B10R1.30 CC1=CC(=C(C=C1)Br)C=O MCULE-1296895511 [2,0,0,0,0,0|2,0,0]=4 201 B10R1.30 CC1=CC(=C(C=C1)C)C=O MCULE-9026398948 [2,0,0,0,0,0|1,0,0]=3 202 B10R1.30 CC1=CC(=C(C=C1)F)C=O MCULE-6366929746 [2,0,0,0,0,0|2,0,0]=4 203 B10R1.30 CC1=CC(=C(C=C1)I)C=O MCULE-6167820797 [2,0,0,0,0,0|2,0,0]=4 204 B10R1.30 CC1=CC(=C(C=C1)N)C=O MCULE-9267492165 [2,0,0,0,0,0|2,0,0]=4 205 B10R1.30 CC1=CC(=C(C=C1)O)C=O MCULE-3930696324 [2,0,0,0,0,0|1,0,0]=3 206 B10R1.30 CC1=CC(=C(C=N1)C)C#N MCULE-5377642774 [2,0,0,0,0,0|1,0,1]=4 207 B10R1.30 CC1=CC(=C(C=N1)F)C=O MCULE-8114632301 [2,0,0,0,0,0|1,0,0]=3 208 B10R1.30 CC1=CC(=C(N=C1)C)C=O MCULE-9732550001 [2,0,0,0,0,0|2,0,0]=4 209 B10R1.30 CC1=CC(=C(N=C1)O)C=O MCULE-3287706519 [2,0,0,0,0,0|2,0,0]=4 210 B10R1.30 CC1=CC=C(C(=C1)C=O)Cl MCULE-8765424744 [2,0,0,0,0,0|2,0,0]=4 211 B10R1.30 CC1=CC=C(C=C1C=O)Br MCULE-4198127415 [2,0,0,0,0,0|2,0,0]=4 212 B10R1.30 CC1=CC=C(C=C1C=O)O MCULE-5722964358 [2,0,0,0,0,0|2,0,0]=4 213 B10R1.30 CC1=CN=C(C=C1C=O)C MCULE-2531765694 [2,0,0,0,0,0|0,0,0]=2 214 B10R1.30 CC1=CN=C(C=C1CCl)C MCULE-5900342127 [2,0,0,0,0,0|1,0,1]=4 215 B10R1.30 CC1=CN=C(C=C1CCl)C MCULE-5944489443 [2,0,0,0,0,0|1,0,1]=4 216 B10R1.30 CC1=CN=C(C=C1CO)C MCULE-8407269611 [2,0,0,0,0,0|0,0,2]=4 217 B10R1.30 CC1=NC(=C(C=C1)O)C=O MCULE-6295280009 [2,0,0,0,0,0|2,0,0]=4 218 B10R1.30 CC1=NC=C(C(=C1)C=O)Br MCULE-2655382278 [2,0,0,0,0,0|1,0,0]=3 219 B10R1.30 CC1=NC=C(C(=C1)C=O)Cl MCULE-6713621402 [2,0,0,0,0,0|1,0,0]=3 220 B10R1.30 CC1=NN=C(C(=C1)C=O)C MCULE-9619115366 [2,0,0,0,0,0|1,0,0]=3 221 B10R1.30 NC1=C(C=C(N=C1)Cl)C=O MCULE-1253287296 [2,0,0,0,0,0|2,0,0]=4 222 B10R1.30 NC1=CN=C(C=C1C=O)Br MCULE-8327728354 [2,0,0,0,0,0|2,0,0]=4 223 B10R1.30 O=CC1=C(C=CC(=C1)Br)O MCULE-1502897720 [2,0,0,0,0,0|2,0,0]=4 224 B10R1.30 O=CC1=C(C=CC(=C1)O)O MCULE-9188655658 [2,0,0,0,0,0|2,0,0]=4 225 B10R1.30 O=CC1=C(C=NC(=C1)Br)Br MCULE-7982567109 [2,0,0,0,0,0|2,0,0]=4 226 B10R1.30 O=CC1=C(C=NC(=C1)Br)Cl MCULE-3454078101 [2,0,0,0,0,0|2,0,0]=4 227 B10R1.30 O=CC1=C(C=NC(=C1)Br)F MCULE-6491883106 [2,0,0,0,0,0|2,0,0]=4 228 B10R1.30 O=CC1=C(C=NC(=C1)Cl)Cl MCULE-5471198174 [2,0,0,0,0,0|2,0,0]=4 229 B10R1.30 O=CC1=C(C=NC(=C1)Cl)O MCULE-2499550717 [2,0,0,0,0,0|1,0,0]=3 230 B10R1.30 O=CC1=C(C=NC(=C1)I)Br MCULE-4510591209 [2,0,0,0,0,0|2,0,0]=4 231 B10R1.30 O=CC1=C(C=NC(=C1)O)Br MCULE-4057383138 [2,0,0,0,0,0|2,0,0]=4 232 B10R1.30 O=CC1=CC(=CC=C1O)Cl MCULE-4388433838 [2,0,0,0,0,0|2,0,0]=4 233 B10R1.30 O=CC1=CC(=CC=C1O)F MCULE-6229568278 [2,0,0,0,0,0|2,0,0]=4 234 B10R1.30 O=CC1=CC(=CC=C1O)I MCULE-9777942195 [2,0,0,0,0,0|2,0,0]=4 235 B10R1.30 O=CC1=CC(=NC=C1Br)Cl MCULE-6670103600 [2,0,0,0,0,0|2,0,0]=4 236 B10R1.30 O=CC1=CC(=NC=C1Br)F MCULE-8789839637 [2,0,0,0,0,0|2,0,0]=4 237 B10R1.30 O=CC1=CC(=NC=C1Cl)F MCULE-2307603646 [2,0,0,0,0,0|2,0,0]=4 238 B10R1.30 O=CC1=CC(=NC=C1F)Cl MCULE-2400253517 [2,0,0,0,0,0|2,0,0]=4 239 B10R1.30 O=CC1=CC(=NC=C1F)F MCULE-8734185525 [2,0,0,0,0,0|2,0,0]=4 240 B10R1.30 O=CC1=CC(=NC=C1F)O MCULE-8007022090 [2,0,0,0,0,0|2,0,0]=4 241 B10R1.30 O=CC1=CC(=NC=C1O)Br MCULE-6217013264 [2,0,0,0,0,0|1,0,0]=3 242 B10R1.2 C=CC1=C(C(=CC=C1)C)O MCULE-5731718601 [2,0,0,0,0,0|2,0,0]=4 243 B10R1.2 CC1=C(C(=CC=C1)C=O)Br MCULE-5296609001 [2,0,0,0,0,0|2,0,0]=4 244 B10R1.2 CC1=C(C(=CC=C1)C=O)Cl MCULE-4990870459 [2,0,0,0,0,0|2,0,0]=4 245 B10R1.2 CC1=C(C(=CC=C1)C=O)N MCULE-1450267836 [2,0,0,0,0,0|2,0,0]=4 246 B10R1.2 CC1=C(C(=CC=C1)C=O)O MCULE-7351327486 [2,0,0,0,0,0|1,0,0]=3 247 B10R1.2 CC1=C(C(=CC=N1)C=O)C MCULE-1513227721 [2,0,0,0,0,0|1,0,0]=3 248 B10R1.2 CC1=C(C=CC=C1CO)O MCULE-5857559273 [2,0,0,0,0,0|1,0,1]=4 249 B10R1.2 CC1=C(C=CN=C1F)C=O MCULE-9900641992 [2,0,0,0,0,0|2,0,0]=4 250 B10R1.2 CC1=C(C=CN=C1N)C=O MCULE-9125271050 [2,0,0,0,0,0|2,0,0]=4 251 B10R1.2 CC1=C(C=NC=C1Br)CO MCULE-4415047892 [2,0,0,0,0,0|1,0,1]=4 252 B10R1.2 CC1=C(N=CC=C1C=O)Cl MCULE-6412522445 [2,0,0,0,0,0|2,0,0]=4 253 B10R1.2 CC1=CC=CC(=C1C)C=O MCULE-8142786470 [2,0,0,0,0,0|2,0,0]=4 254 B10R1.2 CC1=CC=CC(=C1F)C=O MCULE-3774698982 [2,0,0,0,0,0|2,0,0]=4 255 B10R1.2 CC1=NC=CC(=C1O)C#N MCULE-4189172355 [2,0,0,0,0,0|1,0,1]=4 256 B10R1.2 NC1=C(C=CC=C1CO)O MCULE-8933511684 [2,0,0,0,0,0|2,0,0]=4 257 B10R1.2 NC1=C(C=NC=C1Br)CO MCULE-1397831266 [2,0,0,0,0,0|2,0,0]=4 258 B10R1.2 NC1=C(N=CC=C1C=O)Cl MCULE-1722726588 [2,0,0,0,0,0|2,0,0]=4 259 B10R1.2 O=CC1=C(C(=CC=C1)Br)O MCULE-6850645553 [2,0,0,0,0,0|2,0,0]=4 260 B10R1.2 O=CC1=C(C(=CC=C1)Cl)O MCULE-4791103798 [2,0,0,0,0,0|2,0,0]=4 261 B10R1.2 O=CC1=C(C(=CC=C1)F)O MCULE-4617743159 [2,0,0,0,0,0|2,0,0]=4 262 B10R1.2 O=CC1=C(C(=CC=C1)I)O MCULE-8382993543 [2,0,0,0,0,0|2,0,0]=4 263 B10R1.2 O=CC1=C(C(=CC=C1)O)O MCULE-4515195536 [2,0,0,0,0,0|2,0,0]=4 264 B10R1.2 O=CC1=C(C(=NC=C1)Br)Cl MCULE-1317733779 [2,0,0,0,0,0|2,0,0]=4 265 B10R1.2 O=CC1=C(C(=NC=C1)Cl)Br MCULE-6498584858 [2,0,0,0,0,0|2,0,0]=4 266 B10R1.2 O=CC1=C(C(=NC=C1)Cl)F MCULE-3904374591 [2,0,0,0,0,0|2,0,0]=4 267 B10R1.2 O=CC1=CC=NC(=C1Br)Br MCULE-5020484235 [2,0,0,0,0,0|2,0,0]=4 268 B10R1.2 O=CC1=CC=NC(=C1Br)F MCULE-3449637222 [2,0,0,0,0,0|2,0,0]=4 269 B10R1.2 O=CC1=CC=NC(=C1Cl)Cl MCULE-6498206156 [2,0,0,0,0,0|2,0,0]=4 270 B10R1.2 O=CC1=CC=NC(=C1Cl)F MCULE-9382881358 [2,0,0,0,0,0|2,0,0]=4 271 B10R1.2 O=CC1=CC=NC(=C1F)Br MCULE-4853667704 [2,0,0,0,0,0|2,0,0]=4 272 B10R1.2 O=CC1=CC=NC(=C1F)F MCULE-8745591056 [2,0,0,0,0,0|2,0,0]=4 273 B10R1.2 O=CC1=CC=NC(=C1O)Br MCULE-9479591961 [2,0,0,0,0,0|1,0,0]=3 274 B10R1.2 O=CC1=CC=NC(=C1O)Cl MCULE-4875967473 [2,0,0,0,0,0|1,0,0]=3 275 B10R1.2 OCC1=C(C(=CC=C1)O)Cl MCULE-1876866288 [2,0,0,0,0,0|2,0,0]=4 276 B10R1.2 OCC1=C(C(=CC=C1)O)O MCULE-1579520324 [2,0,0,0,0,0|1,0,1]=4 277 B10R1.2 OCC1=CC=CC(=C1F)O MCULE-1103411288 [2,0,0,0,0,0|2,0,0]=4 278 B10R1.2 OCC1=CN=CC(=C1Cl)Br MCULE-4714735340 [2,0,0,0,0,0|2,0,0]=4 279 B10R1.2 OCC1=CN=CC(=C1Cl)Br MCULE-7059594575 [2,0,0,0,0,0|2,0,0]=4 280 B10R1.2 OCC1=CN=CC(=C1Cl)F MCULE-1974270254 [2,0,0,0,0,0|2,0,0]=4 281 B10R1.119 CC1=C(C(=C(C=C1)C)F)O MCULE-1833446364 [2,0,0,0,0,0|2,0,0]=4 282 B10R1.119 CC1=C(C(=C(C=C1)C)O)C MCULE-5054241122 [2,0,0,0,0,0|1,0,1]=4 283 B10R1.119 CC1=C(C(=C(C=C1)C)O)O MCULE-8936364529 [2,0,0,0,0,0|1,0,1]=4 284 B10R1.119 CC1=C(C(=C(C=C1)O)C)O MCULE-1557115498 [2,0,0,0,0,0|1,0,1]=4 285 B10R1.119 CC1=C(C(=C(C=N1)O)C)Br MCULE-7031520358 [2,0,0,0,0,0|1,0,1]=4 286 B10R1.119 CC1=C(C(=O)C(=CO1)O)O MCULE-5913924143 [2,0,0,0,0,0|1,0,0]=3 287 B10R1.119 CC1=C(C(=O)N(C=N1)C)Br MCULE-7045057736 [2,0,0,0,0,0|2,0,0]=4 288 B10R1.119 CC1=CC=C(C(=C1O)O)O MCULE-6537051236 [2,0,0,0,0,0|1,0,1]=4 289 B10R1.119 CC1=CN=C(C(=C1Cl)C)C MCULE-9836866678 [2,0,0,0,0,0|2,0,0]=4 290 B10R1.119 CC1=CN=C(C(=C1N)Br)C MCULE-8783928407 [2,0,0,0,0,0|2,0,0]=4 291 B10R1.119 CC1=NC=C(C(=C1O)C)F MCULE-6848102357 [2,0,0,0,0,0|1,0,1]=4 292 B10R1.119 CC1=NC=C(C(=C1O)O)Br MCULE-6769795864 [2,0,0,0,0,0|1,0,1]=4 293 B10R1.245 CC1=C(C(=CC=C1)Br)C=O MCULE-2326977872 [2,0,0,0,0,0|2,0,0]=4 294 B10R1.245 CC1=C(C(=CC=C1)N)C=O MCULE-1371498388 [2,0,0,0,0,0|2,0,0]=4 295 B10R1.245 CC1=C(C(=CC=C1)O)C=O MCULE-8655746464 [2,0,0,0,0,0|1,0,0]=3 296 B10R1.245 CC1=C(C(=CN=C1)Br)C=O MCULE-4599243956 [2,0,0,0,0,0|1,0,0]=3 297 B10R1.245 CC1=CC=CC(=C1C=O)C MCULE-2397228182 [2,0,0,0,0,0|2,0,0]=4 298 B10R1.245 CC1=CC=CC(=C1C=O)Cl MCULE-4681946749 [2,0,0,0,0,0|2,0,0]=4 299 B10R1.245 CC1=CC=CC(=C1C=O)F MCULE-4321078880 [2,0,0,0,0,0|2,0,0]=4 300 B10R1.245 CC1=CC=CC(=C1C=O)I MCULE-6971643838 [2,0,0,0,0,0|2,0,0]=4 301 B10R1.245 CC1=CN=CC(=C1C=O)C MCULE-3773675112 [2,0,0,0,0,0|1,0,0]=3 302 B10R1.245 O=CC1=C(C=CC=C1Cl)O MCULE-1788220122 [2,0,0,0,0,0|2,0,0]=4 303 B10R1.245 O=CC1=C(C=CC=C1I)O MCULE-7702077722 [2,0,0,0,0,0|2,0,0]=4 304 B10R1.245 O=CC1=C(C=CC=C1O)Br MCULE-3479615593 [2,0,0,0,0,0|2,0,0]=4 305 B10R1.245 O=CC1=C(C=CC=C1O)F MCULE-6668314267 [2,0,0,0,0,0|2,0,0]=4 306 B10R1.245 O=CC1=C(C=CC=C1O)O MCULE-8512639518 [2,0,0,0,0,0|1,0,0]=3 307 B10R1.245 O=CC1=C(C=NC=C1Br)Br MCULE-9212510020 [2,0,0,0,0,0|2,0,0]=4 308 B10R1.245 O=CC1=C(C=NC=C1Br)F MCULE-4705476247 [2,0,0,0,0,0|2,0,0]=4 309 B10R1.245 O=CC1=C(C=NC=C1Cl)Br MCULE-5505668390 [2,0,0,0,0,0|2,0,0]=4 310 B10R1.245 O=CC1=C(C=NC=C1Cl)Cl MCULE-7015900266 [2,0,0,0,0,0|2,0,0]=4 311 B10R1.245 O=CC1=C(C=NC=C1Cl)F MCULE-5571791041 [2,0,0,0,0,0|2,0,0]=4 312 B10R1.245 O=CC1=C(C=NC=C1F)F MCULE-1503894436 [2,0,0,0,0,0|2,0,0]=4 313 B10R1.176 CC1=C(C=C(C=C1)CN)O MCULE-1080215338 [2,0,0,0,0,0|2,0,0]=4 314 B10R1.176 CC1=C(C=C(C=C1)CN)O MCULE-3906588852 [2,0,0,0,0,0|2,0,0]=4 315 B10R1.176 CC1=C(C=C(C=C1)CO)Br MCULE-8327247673 [2,0,0,0,0,0|2,0,0]=4 316 B10R1.176 CC1=C(C=C(C=C1)CO)C MCULE-6163938430 [2,0,0,0,0,0|2,0,0]=4 317 B10R1.176 CC1=C(C=C(C=C1)CO)F MCULE-4587212989 [2,0,0,0,0,0|2,0,0]=4 318 B10R1.176 CC1=C(C=C(C=C1)CO)N MCULE-6346834159 [2,0,0,0,0,0|2,0,0]=4 319 B10R1.176 CC1=C(C=C(C=N1)CO)Br MCULE-5256629169 [2,0,0,0,0,0|1,0,0]=3 320 B10R1.176 CC1=C(C=C(C=N1)CO)Cl MCULE-1028655754 [2,0,0,0,0,0|1,0,0]=3 321 B10R1.176 CC1=C(C=C(C=N1)CO)F MCULE-1386636163 [2,0,0,0,0,0|1,0,0]=3 322 B10R1.176 CC1=C(N=CC(=C1)CN)C MCULE-2479388808 [2,0,0,0,0,0|2,0,0]=4 323 B10R1.176 CC1=C(N=CC(=C1)CN)C MCULE-6754011171 [2,0,0,0,0,0|2,0,0]=4 324 B10R1.176 CC1=C(N=CC(=C1)CO)Br MCULE-1707541727 [2,0,0,0,0,0|2,0,0]=4 325 B10R1.176 CC1=C(N=CC(=C1)CO)C MCULE-4077446683 [2,0,0,0,0,0|1,0,0]=3 326 B10R1.176 CC1=C(N=CC(=C1)CO)Cl MCULE-8451821326 [2,0,0,0,0,0|2,0,0]=4 327 B10R1.176 CC1=C(N=CC(=C1)CO)F MCULE-9100095272 [2,0,0,0,0,0|2,0,0]=4 328 B10R1.176 CC1=CC(=CN=C1C)CCl MCULE-1860431958 [2,0,0,0,0,0|2,0,0]=4 329 B10R1.176 CC1=CC(=CN=C1C)CCl MCULE-2324237570 [2,0,0,0,0,0|2,0,0]=4 330 B10R1.176 CC1=CC=C(C=C1Cl)CO MCULE-1247810963 [2,0,0,0,0,0|2,0,0]=4 331 B10R1.176 CC1=CC=C(C=C1I)CO MCULE-4550513803 [2,0,0,0,0,0|2,0,0]=4 332 B10R1.176 CC1=NC=C(C=C1F)CBr MCULE-4679853110 [2,0,0,0,0,0|2,0,0]=4 333 B10R1.176 CC1=NC=C(C=C1F)CBr MCULE-8080841085 [2,0,0,0,0,0|2,0,0]=4 334 B10R1.176 CC1=NC=C(C=C1F)CCl MCULE-4009308597 [2,0,0,0,0,0|2,0,0]=4 335 B10R1.176 CC1=NC=C(C=C1F)CCl MCULE-4932265598 [2,0,0,0,0,0|2,0,0]=4 336 B10R1.176 CCC1=CN=C(C(=C1)Br)C MCULE-8422568353 [2,0,0,0,0,0|2,0,0]=4 337 B10R1.176 COC1=CN=C(C(=C1)O)C MCULE-1311524354 [2,0,0,0,0,0|2,0,0]=4 338 B10R1.176 NC1=C(C=C(C=C1)CO)O MCULE-7521455606 [2,0,0,0,0,0|2,0,0]=4 339 B10R1.176 NC1=C(C=C(C=N1)CO)Br MCULE-4510264172 [2,0,0,0,0,0|2,0,0]=4 340 B10R1.176 NC1=C(C=C(C=N1)CO)Cl MCULE-3820743716 [2,0,0,0,0,0|2,0,0]=4 341 B10R1.176 OCC1=CC(=C(C=C1)F)O MCULE-6326907334 [2,0,0,0,0,0|2,0,0]=4 342 B10R1.176 OCC1=CC(=C(C=C1)I)O MCULE-4178976594 [2,0,0,0,0,0|2,0,0]=4 343 B10R1.176 OCC1=CC(=C(N=C1)Cl)Br MCULE-3359232449 [2,0,0,0,0,0|2,0,0]=4 344 B10R1.176 OCC1=CC(=C(N=C1)Cl)F MCULE-8617844154 [2,0,0,0,0,0|2,0,0]=4 345 B10R1.176 OCC1=CC(=C(N=C1)Cl)I MCULE-1163435438 [2,0,0,0,0,0|2,0,0]=4 346 B10R1.176 OCC1=CC(=C(N=C1)F)Br MCULE-5378065946 [2,0,0,0,0,0|2,0,0]=4 347 B10R1.176 OCC1=CC(=C(N=C1)F)F MCULE-3718430429 [2,0,0,0,0,0|2,0,0]=4 348 B10R1.176 OCC1=CC=C(C(=C1)O)Br MCULE-9165649083 [2,0,0,0,0,0|2,0,0]=4 349 B10R1.176 OCC1=CC=C(C(=C1)O)Cl MCULE-8080989586 [2,0,0,0,0,0|2,0,0]=4 350 B10R1.176 OCC1=CC=C(C(=C1)O)O MCULE-3532185208 [2,0,0,0,0,0|2,0,0]=4 351 B10R1.176 OCC1=CN=C(C(=C1)Cl)Cl MCULE-5501955858 [2,0,0,0,0,0|2,0,0]=4 352 B10R1.176 OCC1=CN=C(C(=C1)Cl)F MCULE-9836798866 [2,0,0,0,0,0|2,0,0]=4 353 B10R1.176 OCC1=CN=C(C(=C1)F)Br MCULE-2821424456 [2,0,0,0,0,0|2,0,0]=4 354 B12R1.46 CC1=CC=C(C(=C1)N(=O)=O)CO MCULE-9354260834 [1,1,0,0,0,0|2,0,0]=4 355 B12R1.46 CCC1=C(C=C(N=C1)C)C(=O)O MCULE-9584187528 [1,1,0,0,0,0|1,0,0]=3 356 B12R1.46 CCC1=C(C=C(N=N1)C)C(=O)O MCULE-9768208358 [1,1,0,0,0,0|2,0,0]=4 357 B12R1.46 COC1=C(C=C(N=C1)C)C(=O)O MCULE-1562042131 [1,1,0,0,0,0|2,0,0]=4 358 B12R1.57 CC1=CC(=C(C=C1)B(O)O)C=O MCULE-1504677896 [1,1,0,0,0,0|2,0,0]=4 359 B12R1.57 CC1=CC(=C(C=C1)C(=O)O)C=O MCULE-4105101262 [1,1,0,0,0,0|1,0,1]=4 360 B12R1.57 O=CC1=CC(=NC=C1C(=O)O)Cl MCULE-5551993774 [1,1,0,0,0,0|1,0,1]=4 361 B12R1.112 CCOC1=CC=C(C=C1C=O)C MCULE-4653471874 [1,1,0,0,0,0|2,0,0]=4 362 B12R1.234 CC1=NC(=C(C(=C1)CO)CO)C MCULE-4580764417 [1,1,0,0,0,0|0,0,2]=4 363 B12R1.98 CC1=C(C(=C(C(=C1)O)C=O)O)Cl MCULE-7400752718 [1,1,0,0,0,0|2,0,0]=4 364 B12R1.98 CC1=C(C(=C(C=C1O)O)C=O)O MCULE-1241212683 [1,1,0,0,0,0|1,0,0]=3 365 B12R1.497 COCC1=C(C=NC(=C1O)C)C MCULE-5900496379 [1,1,0,0,0,0|0,0,2]=4 366 B12R1.497 COCC1=C(C=NC(=C1O)C)C MCULE-7382837717 [1,1,0,0,0,0|0,0,2]=4 367 B12R1.654 COC1=C(C(=C(C=C1)C)C=O)Br MCULE-8268633831 [1,1,0,0,0,0|2,0,0]=4 368 B12R1.654 COC1=CC=C(C(=C1C)C=O)C MCULE-8158049646 [1,1,0,0,0,0|2,0,0]=4 369 B12R1.654 COC1=CC=C(C(=C1F)C=O)O MCULE-6646633736 [1,1,0,0,0,0|2,0,0]=4 370 B12R1.654 COC1=CC=C(C(=C1O)C=O)Br MCULE-5410309539 [1,1,0,0,0,0|2,0,0]=4 371 B12R1.654 COC1=NC=C(C(=C1Br)C=O)Cl MCULE-8697263583 [1,1,0,0,0,0|2,0,0]=4 372 B12R1.654 COC1=NC=C(C(=C1Cl)C=O)Br MCULE-6563045428 [1,1,0,0,0,0|2,0,0]=4 373 B12R1.654 COC1=NC=C(C(=C1Cl)C=O)Cl MCULE-5326597254 [1,1,0,0,0,0|2,0,0]=4 374 B12R1.654 COC1=NC=C(C(=C1F)C=O)Cl MCULE-3413883400 [1,1,0,0,0,0|2,0,0]=4 375 B12R1.654 O=CC1=CC=C(C(=C1O)C=O)O MCULE-4689468481 [1,1,0,0,0,0|1,0,1]=4 376 B12R1.705 CC1=C(C(=C(C(=C1)Br)C)C=O)O MCULE-4287663885 [1,1,0,0,0,0|1,0,0]=3 377 B12R1.705 CC1=C(C(=C(C(=C1)Cl)C)C=O)O MCULE-4076961409 [1,1,0,0,0,0|1,0,0]=3 378 B12R1.705 CC1=CC(=C(C(=C1C)C=O)C)C MCULE-2546308327 [1,1,0,0,0,0|2,0,0]=4 379 B12R1.705 CC1=NC(=C(C(=C1Br)C=O)F)Cl MCULE-8302686181 [1,1,0,0,0,0|2,0,0]=4 380 B12R1.705 O=CC1=C(C(=CC(=C1O)Cl)Cl)O MCULE-1969621749 [1,1,0,0,0,0|2,0,0]=4 381 B12R1.741 COC1=C(C(=CN=C1Cl)Br)C=O MCULE-8871282216 [1,1,0,0,0,0|2,0,0]=4 382 B12R1.741 COC1=C(C=CC(=C1C=O)C)F MCULE-8514205765 [1,1,0,0,0,0|2,0,0]=4 383 B12R1.741 COC1=C(C=CC(=C1C=O)F)C MCULE-4195416368 [1,1,0,0,0,0|2,0,0]=4 384 B12R1.741 COC1=C(N=CC(=C1C=O)Cl)Cl MCULE-1305665337 [1,1,0,0,0,0|2,0,0]=4 385 B12R1.894 CC(=O)C1=C(C(=CC=C1C)C)C MCULE-2865385464 [1,1,0,0,0,0|2,0,0]=4 386 B12R1.894 CC(=O)C1=C(C=CC(=C1O)C)O MCULE-1383654213 [1,1,0,0,0,0|1,0,0]=3 387 B12R1.894 CC1=C(C(=C(C=C1)C)C(=O)O)C MCULE-7058207448 [1,1,0,0,0,0|2,0,0]=4 388 B12R1.894 CC1=C(C(=C(C=C1)C)C(=O)O)N MCULE-3960926425 [1,1,0,0,0,0|2,0,0]=4 389 B12R1.894 CC1=C(C(=C(C=C1)C)N(=O)=O)O MCULE-9972389338 [1,1,0,0,0,0|2,0,0]=4 390 B12R1.894 CC1=C(C(=C(C=C1)Cl)O)C(=O)O MCULE-9887064262 [1,1,0,0,0,0|2,0,0]=4 391 B12R1.894 CC1=C(C(=C(C=C1)F)C(=O)O)O MCULE-8464280237 [1,1,0,0,0,0|2,0,0]=4 392 B12R1.894 CC1=C(C(=C(C=C1)N)O)C(=O)O MCULE-9959004530 [1,1,0,0,0,0|2,0,0]=4 393 B12R1.894 CC1=C(C(=C(C=C1)O)C(=O)O)F MCULE-6013957365 [1,1,0,0,0,0|2,0,0]=4 394 B12R1.894 CC1=CC=C(C(=C1O)C(=O)O)C MCULE-3785714526 [1,1,0,0,0,0|1,0,0]=3 395 B12R1.894 CC1=CN=C(C(=C1C(=O)O)F)Cl MCULE-4370351785 [1,1,0,0,0,0|2,0,0]=4 396 B12R1.894 CC1=NC=C(C(=C1F)C(=O)O)Br MCULE-8320253069 [1,1,0,0,0,0|2,0,0]=4 397 B12R1.894 O=C(O)C1=C(C=CC(=C1O)Br)O MCULE-2731026367 [1,1,0,0,0,0|2,0,0]=4 398 B12R1.894 O=C(O)C1=C(C=CC(=C1O)Cl)O MCULE-5194744690 [1,1,0,0,0,0|2,0,0]=4 399 B12R1.87 O=CC1=C(C=CC=C1O)C(=O)O MCULE-3802946118 [1,1,0,0,0,0|1,0,1]=4 400 B12R1.87 O=CC1=C(C=NC=C1Br)C(=O)O MCULE-3010526551 [1,1,0,0,0,0|1,0,1]=4 401 B12R1.437 CCC1=CC=CC(=C1C(=O)O)O MCULE-8680471350 [1,1,0,0,0,0|2,0,0]=4 402 B12R1.542 CCOC1=CN=CC(=C1C=O)Cl MCULE-1727835691 [1,1,0,0,0,0|2,0,0]=4 403 B12R1.1879 CCC1=CC=CC(=C1C=O)OC MCULE-1952587016 [1,1,0,0,0,0|2,0,0]=4 404 B12R1.1879 COC1=CN=CC(=C1C=O)OC MCULE-2007533187 [1,1,0,0,0,0|2,0,0]=4 405 B12R1.653 COC1=C(C(=C(C=C1)CO)F)O MCULE-9122655068 [1,1,0,0,0,0|2,0,0]=4 406 B12R1.1145 COCC1=NN(C(=C1C=O)Cl)C MCULE-6904287363 [0,1,0,0,1,0|2,0,0]=4 407 B14R1.3941 CC1=C(C(=C(C(=C1CO)C=O)O)O)O MCULE-6916941228 [0,2,0,0,0,0|2,0,0]=4 408 B14R1.2304 C=C[C@@H](N)C1=C(C=NC(=C1O)C)CO MCULE-3638563197 [0,2,0,0,0,0|1,0,0]=3 409 B14R1.2304 C=C[C@@H](N)C1=C(C=NC(=C1O)C)CO MCULE-8320130352 [0,2,0,0,0,0|1,0,0]=3 410 B14R1.2304 C=C[C@H](N)C1=C(C=NC(=C1O)C)CO MCULE-3517250252 [0,2,0,0,0,0|1,0,0]=3 411 B14R1.2304 C=C[C@H](N)C1=C(C=NC(=C1O)C)CO MCULE-6327326214 [0,2,0,0,0,0|1,0,0]=3 412 B14R1.2304 CC1=C(C(=C(C=N1)CO)[C@@H](N)CF)O MCULE-5699790331 [0,2,0,0,0,0|1,0,1]=4 413 B14R1.2304 CC1=C(C(=C(C=N1)CO)[C@@H](N)CF)O MCULE-9052355042 [0,2,0,0,0,0|1,0,1]=4 414 B14R1.2304 CC1=C(C(=C(C=N1)CO)[C@@H](N)CN)O MCULE-2381774798 [0,2,0,0,0,0|1,0,1]=4 415 B14R1.2304 CC1=C(C(=C(C=N1)CO)[C@@H](N)CN)O MCULE-8672002996 [0,2,0,0,0,0|1,0,1]=4 416 B14R1.2304 CC1=C(C(=C(C=N1)CO)[C@@H](N)CO)O MCULE-3816265418 [0,2,0,0,0,0|0,0,2]=4 417 B14R1.2304 CC1=C(C(=C(C=N1)CO)[C@@H](N)CO)O MCULE-7021679166 [0,2,0,0,0,0|0,0,2]=4 418 B14R1.2304 CC1=C(C(=C(C=N1)CO)[C@H](N)CF)O MCULE-2216203633 [0,2,0,0,0,0|1,0,1]=4 419 B14R1.2304 CC1=C(C(=C(C=N1)CO)[C@H](N)CF)O MCULE-8847601603 [0,2,0,0,0,0|1,0,1]=4 420 B14R1.2304 CC1=C(C(=C(C=N1)CO)[C@H](N)CN)O MCULE-4475550770 [0,2,0,0,0,0|1,0,1]=4 421 B14R1.2304 CC1=C(C(=C(C=N1)CO)[C@H](N)CN)O MCULE-7721382364 [0,2,0,0,0,0|1,0,1]=4 422 B14R1.2304 CC1=C(C(=C(C=N1)CO)[C@H](N)CO)O MCULE-3888445442 [0,2,0,0,0,0|0,0,2]=4 423 B14R1.2304 CC1=C(C(=C(C=N1)CO)[C@H](N)CO)O MCULE-4330258693 [0,2,0,0,0,0|0,0,2]=4 424 B14R1.2304 CC[C@@H](N)C1=C(C=NC(=C1O)C)CO MCULE-8961501805 [0,2,0,0,0,0|1,0,1]=4 425 B14R1.2304 CC[C@@H](N)C1=C(C=NC(=C1O)C)CO MCULE-9854104612 [0,2,0,0,0,0|1,0,1]=4 426 B14R1.2304 CC[C@H](N)C1=C(C=NC(=C1O)C)CO MCULE-1389352994 [0,2,0,0,0,0|1,0,1]=4 427 B14R1.2304 CC[C@H](N)C1=C(C=NC(=C1O)C)CO MCULE-8146296846 [0,2,0,0,0,0|1,0,1]=4 428 B14R1.6060 CC1=C(C(=C(C=C1)C(C)C)C(=O)O)O MCULE-3129607155 [0,2,0,0,0,0|2,0,0]=4 429 B14R1.7434 CCNCC1=C(C=NC(=C1O)C)CO MCULE-6696912457 [0,2,0,0,0,0|1,0,1]=4 430 B14R1.7434 CCNCC1=C(C=NC(=C1O)C)CO MCULE-8417409345 [0,2,0,0,0,0|1,0,1]=4 431 B12R2.132 CC1=CC2=C(C=C1)CCC2=O MCULE-7931236286 [1,0,0,1,0,0|2,0,0]=4 432 B12R2.132 CC1=CC2=C(C=C1)COC2=O MCULE-4100051500 [1,0,0,1,0,0|1,0,0]=3 433 B12R2.132 CC1=CC2=C(C=N1)OCC2=O MCULE-3589558561 [1,0,0,1,0,0|2,0,0]=4 434 B12R2.132 CC1=CC2=C(C=N1)OCC2=O MCULE-8729530884 [1,0,0,1,0,0|2,0,0]=4 435 B12R2.132 CC1=CC=C2CNC(=O)C2=C1 MCULE-3208100621 [1,0,0,1,0,0|2,0,0]=4 436 B12R2.132 NC1=CC2=C(C=C1)COC2=O MCULE-1549045022 [1,0,0,1,0,0|2,0,0]=4 437 B12R2.132 NC1=CC2=C(C=C1)COC2=O MCULE-2283466825 [1,0,0,1,0,0|2,0,0]=4 438 B12R2.132 O=C1NCC2=C1C=C(N=C2)Br MCULE-9096666995 [1,0,0,1,0,0|2,0,0]=4 439 B12R2.132 O=C1NCC2=C1C=C(N=C2)Cl MCULE-8334737032 [1,0,0,1,0,0|2,0,0]=4 440 B12R2.132 O=C1OCC2=C1C=C(C=C2)Br MCULE-5984511571 [1,0,0,1,0,0|2,0,0]=4 441 B12R2.132 O=C1OCC2=C1C=C(C=C2)Cl MCULE-2616562505 [1,0,0,1,0,0|2,0,0]=4 442 B12R2.132 O=C1OCC2=C1C=C(C=C2)O MCULE-3533740523 [1,0,0,1,0,0|2,0,0]=4 443 B12R2.132 O=C1OCC2=CC=C(C=C12)F MCULE-3327536162 [1,0,0,1,0,0|2,0,0]=4 444 B12R2.132 O=C1OCC2=CC=C(C=C12)I MCULE-5798750224 [1,0,0,1,0,0|2,0,0]=4 445 B12R2.82 CC1=C(C2=C(C=N1)COC2)O MCULE-2764967429 [1,0,0,1,0,0|0,0,2]=4 446 B12R2.82 CC1=NC=C2COCC2=C1O MCULE-2515579717 [1,0,0,1,0,0|0,0,2]=4 447 B12R2.221 CC1=CC=C(C2=C1C=CO2)C MCULE-5456971823 [1,0,0,1,0,0|2,0,0]=4 448 B12R2.221 CC1=CN=C(C2=C1C=CO2)Cl MCULE-4400826837 [1,0,0,1,0,0|2,0,0]=4 449 B12R2.203 CC1=C2C(=O)OCC2=CC=C1 MCULE-9111705098 [1,0,0,1,0,0|2,0,0]=4 450 B12R2.203 NC1=CC=CC2=C1C(=O)OC2 MCULE-2837116496 [1,0,0,1,0,0|2,0,0]=4 451 B12R2.203 O=C1CCC2=C1C(=CC=C2)O MCULE-5032971738 [1,0,0,1,0,0|2,0,0]=4 452 B12R2.203 O=C1NCC2=C1C(=CC=C2)O MCULE-2063388873 [1,0,0,1,0,0|2,0,0]=4 453 B12R2.203 O=C1OCC2=C1C(=CC=C2)Br MCULE-9648976790 [1,0,0,1,0,0|2,0,0]=4 454 B12R2.203 O=C1OCC2=C1C(=CC=C2)Cl MCULE-8815294233 [1,0,0,1,0,0|2,0,0]=4 455 B12R2.203 O=C1OCC2=C1C(=CC=C2)F MCULE-8016730476 [1,0,0,1,0,0|2,0,0]=4 456 B12R2.203 O=C1OCC2=C1C(=CC=C2)I MCULE-4983188452 [1,0,0,1,0,0|2,0,0]=4 457 B12R2.315 OCC1=C2C=CNC2=CN=C1 MCULE-8120858074 [1,0,0,1,0,0|2,0,0]=4 458 B14R2.3822 COC1=C(C=CC2=C1C(=O)CC2)C MCULE-2450597612 [0,1,0,1,0,0|2,0,0]=4 459 B14R2.5746 CC1=CC(=C(C2=C1COC2=O)O)C MCULE-8762839699 [0,1,0,1,0,0|1,0,0]=3 460 B14R2.4513 CC1=CC=C2COC(=O)NC2=C1C MCULE-2114960195 [0,1,0,1,0,0|2,0,0]=4 461 B10R1.32 CCC1=NN(C=C1C=O)C MCULE-6969795629 [1,0,0,0,1,0|2,0,0]=4 462 B10R1.32 CCN1N=C(C=C1C=O)C MCULE-2935119069 [1,0,0,0,1,0|2,0,0]=4 463 B10R1.257 CCC1=C(C(=NO1)C)C=O MCULE-5795085050 [1,0,0,0,1,0|2,0,0]=4 464 B10R1.257 CCN1C=NC(=C1C=O)C MCULE-6293143327 [1,0,0,0,1,0|2,0,0]=4 465 B10R1.256 CC1=C(C(=C(N1)C)C=O)Br MCULE-8615650277 [1,0,0,0,1,0|1,0,1]=4 466 B10R1.256 CC1=C(C(=C(N1)C)C=O)C MCULE-2206822598 [1,0,0,0,1,0|1,0,1]=4 467 B10R1.256 CC1=C(C(=C(N1)C)C=O)I MCULE-9121879804 [1,0,0,0,1,0|1,0,1]=4 468 B10R1.256 CC1=C(C(=C(S1)C)C=O)Br MCULE-9149031417 [1,0,0,0,1,0|2,0,0]=4 469 B10R1.256 CC1=C(C(=C(S1)C)C=O)C MCULE-9573163266 [1,0,0,0,1,0|2,0,0]=4 470 B10R1.256 CC1=C(C(=C(S1)C)C=O)I MCULE-3033577825 [1,0,0,0,1,0|2,0,0]=4 471 B10R1.256 CC1=CC(=C(N1C)C=O)C MCULE-7546387944 [1,0,0,0,1,0|2,0,0]=4 472 B10R1.256 CC1=CN(C(=C1C=O)C)C MCULE-4033670840 [1,0,0,0,1,0|2,0,0]=4 473 B10R1.256 CC1=NN(C(=C1Br)C=O)C MCULE-4302040674 [1,0,0,0,1,0|2,0,0]=4 474 B10R1.256 CC1=NN(C(=C1C=O)C)C MCULE-2802543378 [1,0,0,0,1,0|2,0,0]=4 475 B10R1.256 CC1=NN(C(=C1C=O)Cl)C MCULE-8009682297 [1,0,0,0,1,0|2,0,0]=4 476 B10R1.256 CC1=NN(C(=C1C=O)F)C MCULE-1135975158 [1,0,0,0,1,0|2,0,0]=4 477 B10R1.256 CC1=NN(C(=C1C=O)N)C MCULE-2041819663 [1,0,0,0,1,0|2,0,0]=4 478 B10R1.256 CC1=NN(C(=C1Cl)C=O)C MCULE-9460943155 [1,0,0,0,1,0|2,0,0]=4 479 B12R1.300 CC1=C(C(=CC(=C1)CO)C=O)O MCULE-1790375714 [0,0,0,0,1,1|0,0,0]=2 480 B12R1.300 CC1=CC(=CC(=C1O)C=O)C=O MCULE-1409295488 [0,0,0,0,1,1|0,0,2]=4 481 B12R1.300 CCC1=CC(=C(C(=C1)C=O)O)Br MCULE-2375271489 [0,0,0,0,1,1|2,0,0]=4 482 B12R1.300 COC1=CC(=C(C(=C1)C=O)O)C MCULE-6199016614 [0,0,0,0,1,1|2,0,0]=4