0 B7R1.3 BrC1=CC=CC=C1 MCULE-5539191636 [0,0,0,0,0,0|1,0,3]=4 1 B7R1.3 BrC1=CC=NC=C1 MCULE-2222072962 [0,0,0,0,0,0|2,0,2]=4 2 B7R1.3 BrC1=CC=NC=C1 MCULE-3172600157 [0,0,0,0,0,0|2,0,2]=4 3 B7R1.3 BrC1=CC=NC=C1 MCULE-6092566644 [0,0,0,0,0,0|2,0,2]=4 4 B7R1.3 BrC1=CC=NC=N1 MCULE-8798834010 [0,0,0,0,0,0|3,0,1]=4 5 B7R1.3 BrC1=CC=NN=C1 MCULE-7275687625 [0,0,0,0,0,0|3,0,1]=4 6 B7R1.3 BrC1=CCCCC1 MCULE-6137796305 [0,0,0,0,0,0|1,0,1]=2 7 B7R1.3 BrC1=CCCNC1 MCULE-1016336040 [0,0,0,0,0,0|2,0,1]=3 8 B7R1.3 BrC1=CCCNC1 MCULE-9845052592 [0,0,0,0,0,0|2,0,1]=3 9 B7R1.3 BrC1=CCOCC1 MCULE-7609274912 [0,0,0,0,0,0|2,0,1]=3 10 B7R1.3 BrC1=CCSCC1 MCULE-6964400494 [0,0,0,0,0,0|2,0,1]=3 11 B7R1.3 BrC1=CN=CC=C1 MCULE-1095474238 [0,0,0,0,0,0|2,0,2]=4 12 B7R1.3 BrC1=CN=NC=C1 MCULE-2216329672 [0,0,0,0,0,0|3,0,1]=4 13 B7R1.3 BrC1=CN=NC=C1 MCULE-4951088942 [0,0,0,0,0,0|3,0,1]=4 14 B7R1.3 BrC1=CNCC=N1 MCULE-8663509765 [0,0,0,0,0,0|3,0,1]=4 15 B7R1.3 BrC1=COCCC1 MCULE-7754503978 [0,0,0,0,0,0|2,0,0]=2 16 B7R1.3 BrC1=NC=CC=C1 MCULE-1729799266 [0,0,0,0,0,0|2,0,2]=4 17 B7R1.3 BrC1=NC=NC=C1 MCULE-6310069143 [0,0,0,0,0,0|3,0,1]=4 18 B7R1.3 BrC1=NC=NC=C1 MCULE-9965725184 [0,0,0,0,0,0|3,0,1]=4 19 B7R1.3 BrC1=NN=CC=C1 MCULE-4286020709 [0,0,0,0,0,0|3,0,1]=4 20 B7R1.3 BrC1=NN=CC=C1 MCULE-5739236689 [0,0,0,0,0,0|3,0,1]=4 21 B7R1.3 BrC1C=CCCC1 MCULE-1210573604 [0,0,0,0,0,0|1,0,1]=2 22 B7R1.3 BrC1CCCCC1 MCULE-7879113781 [0,0,0,0,0,0|1,0,3]=4 23 B7R1.3 BrC1CCCCN1 MCULE-3863852230 [0,0,0,0,0,0|2,0,2]=4 24 B7R1.3 BrC1CCCCO1 MCULE-3659439382 [0,0,0,0,0,0|2,0,2]=4 25 B7R1.3 BrC1CCCNC1 MCULE-5734359694 [0,0,0,0,0,0|2,0,2]=4 26 B7R1.3 BrC1CCCNC1 MCULE-8772964999 [0,0,0,0,0,0|2,0,2]=4 27 B7R1.3 BrC1CCCNC1 MCULE-9975168983 [0,0,0,0,0,0|2,0,2]=4 28 B7R1.3 BrC1CCCOC1 MCULE-5781416415 [0,0,0,0,0,0|2,0,2]=4 29 B7R1.3 C1(CCCNC1)F MCULE-2873742972 [0,0,0,0,0,0|2,0,2]=4 30 B7R1.3 C1(CCCNC1)F MCULE-8247715411 [0,0,0,0,0,0|2,0,2]=4 31 B7R1.3 C1(CCCNC1)N MCULE-2184623611 [0,0,0,0,0,0|2,0,2]=4 32 B7R1.3 C1(CCCNC1)N MCULE-6177601832 [0,0,0,0,0,0|2,0,2]=4 33 B7R1.3 C1(CCCNC1)O MCULE-5944071030 [0,0,0,0,0,0|1,0,3]=4 34 B7R1.3 C1(CCCNC1)O MCULE-9769032939 [0,0,0,0,0,0|1,0,3]=4 35 B7R1.3 C1(CCCOC1)N MCULE-7160456966 [0,0,0,0,0,0|2,0,2]=4 36 B7R1.3 C1(CCCOC1)N MCULE-9418657332 [0,0,0,0,0,0|2,0,2]=4 37 B7R1.3 C=C1CCCCC1 MCULE-9812236661 [0,0,0,0,0,0|1,0,2]=3 38 B7R1.3 C=C1CCCCN1 MCULE-8375354748 [0,0,0,0,0,0|2,0,1]=3 39 B7R1.3 C=C1CCCNC1 MCULE-2588575300 [0,0,0,0,0,0|2,0,1]=3 40 B7R1.3 C=C1CCCNC1 MCULE-9758065019 [0,0,0,0,0,0|2,0,1]=3 41 B7R1.3 C=C1CCCOC1 MCULE-5236529273 [0,0,0,0,0,0|2,0,1]=3 42 B7R1.3 C=C1CCNCC1 MCULE-4460895436 [0,0,0,0,0,0|2,0,2]=4 43 B7R1.3 C=C1CCNCC1 MCULE-6605411269 [0,0,0,0,0,0|2,0,2]=4 44 B7R1.3 C=C1CCNCC1 MCULE-6729798105 [0,0,0,0,0,0|2,0,2]=4 45 B7R1.3 C=C1CCOCC1 MCULE-2744722311 [0,0,0,0,0,0|2,0,2]=4 46 B7R1.3 CC1=CC=CC=C1 MCULE-4817136027 [0,0,0,0,0,0|1,0,3]=4 47 B7R1.3 CC1=CC=CCC1 MCULE-3797800778 [0,0,0,0,0,0|1,0,1]=2 48 B7R1.3 CC1=CC=NC=C1 MCULE-2244521363 [0,0,0,0,0,0|2,0,2]=4 49 B7R1.3 CC1=CC=NC=C1 MCULE-5336385904 [0,0,0,0,0,0|2,0,2]=4 50 B7R1.3 CC1=CC=NC=N1 MCULE-7063100764 [0,0,0,0,0,0|3,0,1]=4 51 B7R1.3 CC1=CCC=CC1 MCULE-8148706670 [0,0,0,0,0,0|1,0,3]=4 52 B7R1.3 CC1=CCCC=C1 MCULE-6224653152 [0,0,0,0,0,0|1,0,1]=2 53 B7R1.3 CC1=CCCCC1 MCULE-2795172496 [0,0,0,0,0,0|1,0,1]=2 54 B7R1.3 CC1=CCCNC1 MCULE-8145216779 [0,0,0,0,0,0|2,0,1]=3 55 B7R1.3 CC1=CCCNC1 MCULE-9021954061 [0,0,0,0,0,0|2,0,1]=3 56 B7R1.3 CC1=CCNCC1 MCULE-1503915992 [0,0,0,0,0,0|2,0,1]=3 57 B7R1.3 CC1=CCNCC1 MCULE-3349815065 [0,0,0,0,0,0|2,0,1]=3 58 B7R1.3 CC1=CN=CC=C1 MCULE-7651055603 [0,0,0,0,0,0|2,0,2]=4 59 B7R1.3 CC1=CN=NC=C1 MCULE-4894279826 [0,0,0,0,0,0|3,0,1]=4 60 B7R1.3 CC1=NC=CC=C1 MCULE-3857746542 [0,0,0,0,0,0|2,0,2]=4 61 B7R1.3 CC1=NCCNC1 MCULE-2066788449 [0,0,0,0,0,0|3,0,1]=4 62 B7R1.3 CC1=NN=CC=C1 MCULE-3738378616 [0,0,0,0,0,0|3,0,1]=4 63 B7R1.3 CC1C=CCCC1 MCULE-8057302830 [0,0,0,0,0,0|1,0,1]=2 64 B7R1.3 CC1CC=CCC1 MCULE-6343106785 [0,0,0,0,0,0|1,0,3]=4 65 B7R1.3 CC1CCCCC1 MCULE-3843525768 [0,0,0,0,0,0|1,0,3]=4 66 B7R1.3 CC1CCCCN1 MCULE-1741870990 [0,0,0,0,0,0|2,0,2]=4 67 B7R1.3 CC1CCCCN1 MCULE-4453126703 [0,0,0,0,0,0|2,0,2]=4 68 B7R1.3 CC1CCCCN1 MCULE-6620063962 [0,0,0,0,0,0|2,0,2]=4 69 B7R1.3 CC1CCCCN1 MCULE-6838766744 [0,0,0,0,0,0|2,0,2]=4 70 B7R1.3 CC1CCCCN1 MCULE-9227931620 [0,0,0,0,0,0|2,0,2]=4 71 B7R1.3 CC1CCCCO1 MCULE-4439683294 [0,0,0,0,0,0|2,0,2]=4 72 B7R1.3 CC1CCCNC1 MCULE-3344207132 [0,0,0,0,0,0|2,0,2]=4 73 B7R1.3 CC1CCCNC1 MCULE-5707832183 [0,0,0,0,0,0|2,0,2]=4 74 B7R1.3 CC1CCCNC1 MCULE-7033850891 [0,0,0,0,0,0|2,0,2]=4 75 B7R1.3 CC1CCCNC1 MCULE-7153943487 [0,0,0,0,0,0|2,0,2]=4 76 B7R1.3 CN1CC=CCC1 MCULE-1566475259 [0,0,0,0,0,0|2,0,2]=4 77 B7R1.3 CN1CC=CCC1 MCULE-7879022625 [0,0,0,0,0,0|2,0,2]=4 78 B7R1.3 CN1CCCCC1 MCULE-3308944277 [0,0,0,0,0,0|2,0,2]=4 79 B7R1.3 CN1CCCCO1 MCULE-4407617276 [0,0,0,0,0,0|3,0,1]=4 80 B7R1.3 CN1CCCCO1 MCULE-6297284655 [0,0,0,0,0,0|3,0,1]=4 81 B7R1.3 C[C@@H]1CCCCN1 MCULE-1372285636 [0,0,0,0,0,0|2,0,2]=4 82 B7R1.3 C[C@@H]1CCCCN1 MCULE-1676908545 [0,0,0,0,0,0|2,0,2]=4 83 B7R1.3 C[C@@H]1CCCCN1 MCULE-4298634468 [0,0,0,0,0,0|2,0,2]=4 84 B7R1.3 C[C@@H]1CCCCN1 MCULE-6629826210 [0,0,0,0,0,0|2,0,2]=4 85 B7R1.3 C[C@@H]1CCCNC1 MCULE-1079173995 [0,0,0,0,0,0|2,0,2]=4 86 B7R1.3 C[C@@H]1CCCNC1 MCULE-1230145662 [0,0,0,0,0,0|2,0,2]=4 87 B7R1.3 C[C@@H]1CCCNC1 MCULE-3423787676 [0,0,0,0,0,0|2,0,2]=4 88 B7R1.3 C[C@@H]1CCCNC1 MCULE-9303264483 [0,0,0,0,0,0|2,0,2]=4 89 B7R1.3 C[C@H]1CCCCN1 MCULE-3586455704 [0,0,0,0,0,0|2,0,2]=4 90 B7R1.3 C[C@H]1CCCCN1 MCULE-5638638213 [0,0,0,0,0,0|2,0,2]=4 91 B7R1.3 C[C@H]1CCCCN1 MCULE-5867717461 [0,0,0,0,0,0|2,0,2]=4 92 B7R1.3 C[C@H]1CCCCN1 MCULE-7106826493 [0,0,0,0,0,0|2,0,2]=4 93 B7R1.3 C[C@H]1CCCNC1 MCULE-3372852932 [0,0,0,0,0,0|2,0,2]=4 94 B7R1.3 C[C@H]1CCCNC1 MCULE-5146147676 [0,0,0,0,0,0|2,0,2]=4 95 B7R1.3 C[C@H]1CCCNC1 MCULE-7894943546 [0,0,0,0,0,0|2,0,2]=4 96 B7R1.3 C[C@H]1CCCNC1 MCULE-8016414984 [0,0,0,0,0,0|2,0,2]=4 97 B7R1.3 ClC1=CC=CC=C1 MCULE-2469021740 [0,0,0,0,0,0|1,0,3]=4 98 B7R1.3 ClC1=CC=CN=C1 MCULE-9085902014 [0,0,0,0,0,0|2,0,2]=4 99 B7R1.3 ClC1=CC=NC=C1 MCULE-1567063482 [0,0,0,0,0,0|2,0,2]=4 100 B7R1.3 ClC1=CC=NC=C1 MCULE-4451402923 [0,0,0,0,0,0|2,0,2]=4 101 B7R1.3 ClC1=CC=NN=C1 MCULE-2254182212 [0,0,0,0,0,0|3,0,1]=4 102 B7R1.3 ClC1=CC=NN=C1 MCULE-8504211146 [0,0,0,0,0,0|3,0,1]=4 103 B7R1.3 ClC1=CCCCC1 MCULE-6882712527 [0,0,0,0,0,0|1,0,1]=2 104 B7R1.3 ClC1=CCCNC1 MCULE-2132976242 [0,0,0,0,0,0|2,0,1]=3 105 B7R1.3 ClC1=CCCNC1 MCULE-9013141821 [0,0,0,0,0,0|2,0,1]=3 106 B7R1.3 ClC1=NC=CC=C1 MCULE-2536757727 [0,0,0,0,0,0|2,0,2]=4 107 B7R1.3 ClC1=NC=NC=C1 MCULE-8906251481 [0,0,0,0,0,0|3,0,1]=4 108 B7R1.3 ClC1=NC=NC=C1 MCULE-9822994614 [0,0,0,0,0,0|3,0,1]=4 109 B7R1.3 ClC1=NN=CC=C1 MCULE-2309390825 [0,0,0,0,0,0|3,0,1]=4 110 B7R1.3 ClC1=NN=CC=C1 MCULE-6449902222 [0,0,0,0,0,0|3,0,1]=4 111 B7R1.3 ClC1C=CCCC1 MCULE-7233887185 [0,0,0,0,0,0|1,0,1]=2 112 B7R1.3 ClC1CCCCC1 MCULE-9519865350 [0,0,0,0,0,0|1,0,3]=4 113 B7R1.3 ClC1CCCCO1 MCULE-3251653488 [0,0,0,0,0,0|2,0,2]=4 114 B7R1.3 ClC1CCCNC1 MCULE-3870722463 [0,0,0,0,0,0|2,0,2]=4 115 B7R1.3 ClC1CCCNC1 MCULE-8461718443 [0,0,0,0,0,0|2,0,2]=4 116 B7R1.3 ClC1CCCOC1 MCULE-5733907796 [0,0,0,0,0,0|2,0,2]=4 117 B7R1.3 Cl[C@@H]1CCCNC1 MCULE-1513190720 [0,0,0,0,0,0|2,0,2]=4 118 B7R1.3 Cl[C@@H]1CCCNC1 MCULE-4702442384 [0,0,0,0,0,0|2,0,2]=4 119 B7R1.3 Cl[C@H]1CCCNC1 MCULE-1906196638 [0,0,0,0,0,0|2,0,2]=4 120 B7R1.3 Cl[C@H]1CCCNC1 MCULE-5435721723 [0,0,0,0,0,0|2,0,2]=4 121 B7R1.3 FC1=CC=CC=C1 MCULE-7689730731 [0,0,0,0,0,0|1,0,3]=4 122 B7R1.3 FC1=CC=CC=N1 MCULE-4318085181 [0,0,0,0,0,0|2,0,2]=4 123 B7R1.3 FC1=CC=NC=C1 MCULE-2130918826 [0,0,0,0,0,0|2,0,2]=4 124 B7R1.3 FC1=CC=NC=C1 MCULE-8356966938 [0,0,0,0,0,0|2,0,2]=4 125 B7R1.3 FC1=CC=NC=N1 MCULE-3993775864 [0,0,0,0,0,0|3,0,1]=4 126 B7R1.3 FC1=CCCNC1 MCULE-5131057553 [0,0,0,0,0,0|2,0,1]=3 127 B7R1.3 FC1=CCCNC1 MCULE-8459145085 [0,0,0,0,0,0|2,0,1]=3 128 B7R1.3 FC1=CCNCC1 MCULE-5573410633 [0,0,0,0,0,0|2,0,1]=3 129 B7R1.3 FC1=CCNCC1 MCULE-9755070929 [0,0,0,0,0,0|2,0,1]=3 130 B7R1.3 FC1=CN=CC=C1 MCULE-6217696240 [0,0,0,0,0,0|2,0,2]=4 131 B7R1.3 FC1=NN=CC=C1 MCULE-4656806531 [0,0,0,0,0,0|3,0,1]=4 132 B7R1.3 FC1CCCCC1 MCULE-4555555520 [0,0,0,0,0,0|1,0,3]=4 133 B7R1.3 FC1CCCCO1 MCULE-8724227177 [0,0,0,0,0,0|2,0,2]=4 134 B7R1.3 FC1CCCNC1 MCULE-1207637035 [0,0,0,0,0,0|2,0,2]=4 135 B7R1.3 FC1CCCNC1 MCULE-8874983109 [0,0,0,0,0,0|2,0,2]=4 136 B7R1.3 FC1CCCOC1 MCULE-9003204358 [0,0,0,0,0,0|2,0,2]=4 137 B7R1.3 F[C@@H]1CCCNC1 MCULE-1015853975 [0,0,0,0,0,0|2,0,2]=4 138 B7R1.3 F[C@@H]1CCCNC1 MCULE-2442101978 [0,0,0,0,0,0|2,0,2]=4 139 B7R1.3 F[C@@H]1CCCNC1 MCULE-3088687742 [0,0,0,0,0,0|2,0,2]=4 140 B7R1.3 F[C@@H]1CCCNC1 MCULE-3298158493 [0,0,0,0,0,0|2,0,2]=4 141 B7R1.3 F[C@H]1CCCNC1 MCULE-5863769143 [0,0,0,0,0,0|2,0,2]=4 142 B7R1.3 F[C@H]1CCCNC1 MCULE-9142728260 [0,0,0,0,0,0|2,0,2]=4 143 B7R1.3 F[C@H]1CCCNC1 MCULE-9496728832 [0,0,0,0,0,0|2,0,2]=4 144 B7R1.3 F[C@H]1CCCNC1 MCULE-9795686850 [0,0,0,0,0,0|2,0,2]=4 145 B7R1.3 IC1=CC=CC=C1 MCULE-7469705320 [0,0,0,0,0,0|1,0,3]=4 146 B7R1.3 IC1=CC=CN=C1 MCULE-7808525972 [0,0,0,0,0,0|2,0,2]=4 147 B7R1.3 IC1=CC=NC=C1 MCULE-6770844712 [0,0,0,0,0,0|2,0,2]=4 148 B7R1.3 IC1=CC=NC=N1 MCULE-1652629317 [0,0,0,0,0,0|3,0,1]=4 149 B7R1.3 IC1=CC=NN=C1 MCULE-6549672042 [0,0,0,0,0,0|3,0,1]=4 150 B7R1.3 IC1=NC=CC=C1 MCULE-9127362958 [0,0,0,0,0,0|2,0,2]=4 151 B7R1.3 IC1=NC=NC=C1 MCULE-9681862275 [0,0,0,0,0,0|3,0,1]=4 152 B7R1.3 IC1=NN=CC=C1 MCULE-3896715093 [0,0,0,0,0,0|3,0,1]=4 153 B7R1.3 IC1CCCCC1 MCULE-4499971048 [0,0,0,0,0,0|1,0,3]=4 154 B7R1.3 N=C1NCCCO1 MCULE-4713912893 [0,0,0,0,0,0|3,0,1]=4 155 B7R1.3 N=C1NCCCS1 MCULE-5425383221 [0,0,0,0,0,0|3,0,1]=4 156 B7R1.3 NC1=CC=CC=C1 MCULE-4847634429 [0,0,0,0,0,0|1,0,3]=4 157 B7R1.3 NC1=CC=CC=C1 MCULE-5410588853 [0,0,0,0,0,0|1,0,3]=4 158 B7R1.3 NC1=CC=CC=C1 MCULE-6891341462 [0,0,0,0,0,0|1,0,3]=4 159 B7R1.3 NC1=CC=CC=C1 MCULE-7591084894 [0,0,0,0,0,0|1,0,3]=4 160 B7R1.3 NC1=CC=CC=C1 MCULE-7798499378 [0,0,0,0,0,0|1,0,3]=4 161 B7R1.3 NC1=CC=CC=C1 MCULE-9347486445 [0,0,0,0,0,0|1,0,3]=4 162 B7R1.3 NC1=CC=CC=N1 MCULE-9156610735 [0,0,0,0,0,0|2,0,2]=4 163 B7R1.3 NC1=CC=CC=N1 MCULE-9468698491 [0,0,0,0,0,0|2,0,2]=4 164 B7R1.3 NC1=CC=CN=N1 MCULE-8492925273 [0,0,0,0,0,0|3,0,1]=4 165 B7R1.3 NC1=CC=NC=C1 MCULE-2670880008 [0,0,0,0,0,0|2,0,2]=4 166 B7R1.3 NC1=CC=NC=C1 MCULE-6604546217 [0,0,0,0,0,0|2,0,2]=4 167 B7R1.3 NC1=CC=NC=C1 MCULE-7188340873 [0,0,0,0,0,0|2,0,2]=4 168 B7R1.3 NC1=CC=NC=N1 MCULE-8743879642 [0,0,0,0,0,0|3,0,1]=4 169 B7R1.3 NC1=CC=NN=C1 MCULE-9705692486 [0,0,0,0,0,0|3,0,1]=4 170 B7R1.3 NC1=CN=CC=C1 MCULE-8277888288 [0,0,0,0,0,0|2,0,2]=4 171 B7R1.3 NC1=CN=NC=C1 MCULE-2656148598 [0,0,0,0,0,0|3,0,1]=4 172 B7R1.3 NC1=NC=NC=C1 MCULE-7841058110 [0,0,0,0,0,0|3,0,1]=4 173 B7R1.3 NC1=NCCCC1 MCULE-1020722938 [0,0,0,0,0,0|2,0,1]=3 174 B7R1.3 NC1=NCCCC1 MCULE-9735306041 [0,0,0,0,0,0|2,0,1]=3 175 B7R1.3 NC1=NCCCN1 MCULE-1407334516 [0,0,0,0,0,0|3,0,1]=4 176 B7R1.3 NC1=NCCCN1 MCULE-1674112662 [0,0,0,0,0,0|3,0,1]=4 177 B7R1.3 NC1=NCCCO1 MCULE-1909217779 [0,0,0,0,0,0|3,0,1]=4 178 B7R1.3 NC1=NCCCS1 MCULE-2157831645 [0,0,0,0,0,0|3,0,1]=4 179 B7R1.3 NC1=NCCCS1 MCULE-7522126566 [0,0,0,0,0,0|3,0,1]=4 180 B7R1.3 NC1=NCCSC1 MCULE-4272591822 [0,0,0,0,0,0|3,0,1]=4 181 B7R1.3 NC1=NN=CC=C1 MCULE-8558833820 [0,0,0,0,0,0|3,0,1]=4 182 B7R1.3 NC1C=CCCC1 MCULE-4482857573 [0,0,0,0,0,0|1,0,1]=2 183 B7R1.3 NC1C=CCCC1 MCULE-5378769676 [0,0,0,0,0,0|1,0,1]=2 184 B7R1.3 NC1CC=CCC1 MCULE-4040563231 [0,0,0,0,0,0|1,0,3]=4 185 B7R1.3 NC1CC=CCC1 MCULE-9904098902 [0,0,0,0,0,0|1,0,3]=4 186 B7R1.3 NC1CCCCC1 MCULE-1274688385 [0,0,0,0,0,0|1,0,3]=4 187 B7R1.3 NC1CCCCC1 MCULE-6218418825 [0,0,0,0,0,0|1,0,3]=4 188 B7R1.3 NC1CCCCC1 MCULE-7654331405 [0,0,0,0,0,0|1,0,3]=4 189 B7R1.3 NC1CCCCC1 MCULE-9211684304 [0,0,0,0,0,0|1,0,3]=4 190 B7R1.3 NC1CCCCN1 MCULE-8429969520 [0,0,0,0,0,0|2,0,2]=4 191 B7R1.3 NC1CCCNC1 MCULE-2846077424 [0,0,0,0,0,0|2,0,2]=4 192 B7R1.3 NC1CCCNC1 MCULE-6762552983 [0,0,0,0,0,0|2,0,2]=4 193 B7R1.3 NC1CCCNC1 MCULE-8978449052 [0,0,0,0,0,0|2,0,2]=4 194 B7R1.3 NC1CCCOC1 MCULE-3002610862 [0,0,0,0,0,0|2,0,2]=4 195 B7R1.3 NC1CCCOC1 MCULE-8678558313 [0,0,0,0,0,0|2,0,2]=4 196 B7R1.3 NC1CCCSC1 MCULE-5361360271 [0,0,0,0,0,0|2,0,2]=4 197 B7R1.3 NC1CCCSC1 MCULE-5652416535 [0,0,0,0,0,0|2,0,2]=4 198 B7R1.3 NN1CCCCC1 MCULE-2078041523 [0,0,0,0,0,0|2,0,2]=4 199 B7R1.3 NN1CCCCC1 MCULE-3853977450 [0,0,0,0,0,0|2,0,2]=4 200 B7R1.3 N[C@@H]1CC=CCC1 MCULE-7764023195 [0,0,0,0,0,0|1,0,3]=4 201 B7R1.3 N[C@@H]1CC=CCC1 MCULE-7983408030 [0,0,0,0,0,0|1,0,3]=4 202 B7R1.3 N[C@@H]1CCCNC1 MCULE-1539406556 [0,0,0,0,0,0|2,0,2]=4 203 B7R1.3 N[C@@H]1CCCNC1 MCULE-3403472114 [0,0,0,0,0,0|2,0,2]=4 204 B7R1.3 N[C@@H]1CCCNC1 MCULE-6313396868 [0,0,0,0,0,0|2,0,2]=4 205 B7R1.3 N[C@@H]1CCCNC1 MCULE-8281902784 [0,0,0,0,0,0|2,0,2]=4 206 B7R1.3 N[C@@H]1CCCOC1 MCULE-3329999118 [0,0,0,0,0,0|2,0,2]=4 207 B7R1.3 N[C@@H]1CCCOC1 MCULE-5434456311 [0,0,0,0,0,0|2,0,2]=4 208 B7R1.3 N[C@@H]1CCCOC1 MCULE-8416525332 [0,0,0,0,0,0|2,0,2]=4 209 B7R1.3 N[C@@H]1CCCOC1 MCULE-9941756618 [0,0,0,0,0,0|2,0,2]=4 210 B7R1.3 N[C@H]1CC=CCC1 MCULE-2054948922 [0,0,0,0,0,0|1,0,3]=4 211 B7R1.3 N[C@H]1CC=CCC1 MCULE-6634059436 [0,0,0,0,0,0|1,0,3]=4 212 B7R1.3 N[C@H]1CCCNC1 MCULE-1133561466 [0,0,0,0,0,0|2,0,2]=4 213 B7R1.3 N[C@H]1CCCNC1 MCULE-3601314617 [0,0,0,0,0,0|2,0,2]=4 214 B7R1.3 N[C@H]1CCCNC1 MCULE-4741120465 [0,0,0,0,0,0|2,0,2]=4 215 B7R1.3 N[C@H]1CCCNC1 MCULE-5291619589 [0,0,0,0,0,0|2,0,2]=4 216 B7R1.3 N[C@H]1CCCNC1 MCULE-8831721515 [0,0,0,0,0,0|2,0,2]=4 217 B7R1.3 N[C@H]1CCCOC1 MCULE-1619050625 [0,0,0,0,0,0|2,0,2]=4 218 B7R1.3 N[C@H]1CCCOC1 MCULE-4275969826 [0,0,0,0,0,0|2,0,2]=4 219 B7R1.3 N[C@H]1CCCOC1 MCULE-4421099383 [0,0,0,0,0,0|2,0,2]=4 220 B7R1.3 N[C@H]1CCCOC1 MCULE-9281030983 [0,0,0,0,0,0|2,0,2]=4 221 B7R1.3 N[N+]1=CC[N-]C=C1 MCULE-3135869407 [0,0,0,0,0,0|3,0,1]=4 222 B7R1.3 O=C1C=CC=CO1 MCULE-1962369480 [0,0,0,0,0,0|1,0,2]=3 223 B7R1.3 O=C1C=CCCC1 MCULE-5207755083 [0,0,0,0,0,0|0,0,0]=0 224 B7R1.3 O=C1C=CCCN1 MCULE-9815380990 [0,0,0,0,0,0|1,0,0]=1 225 B7R1.3 O=C1C=CCCO1 MCULE-2962791770 [0,0,0,0,0,0|1,0,0]=1 226 B7R1.3 O=C1C=CCOC1 MCULE-4817981961 [0,0,0,0,0,0|1,0,0]=1 227 B7R1.3 O=C1C=COC=C1 MCULE-4737810636 [0,0,0,0,0,0|1,0,2]=3 228 B7R1.3 O=C1C=COCC1 MCULE-2954829305 [0,0,0,0,0,0|1,0,0]=1 229 B7R1.3 O=C1C=COCN1 MCULE-7471476237 [0,0,0,0,0,0|2,0,0]=2 230 B7R1.3 O=C1C=NC=CN1 MCULE-1637832118 [0,0,0,0,0,0|2,0,2]=4 231 B7R1.3 O=C1CC=CCN1 MCULE-7370958955 [0,0,0,0,0,0|1,0,2]=3 232 B7R1.3 O=C1CC=CN=N1 MCULE-5717852017 [0,0,0,0,0,0|2,0,2]=4 233 B7R1.3 O=C1CC=COC1 MCULE-3434064170 [0,0,0,0,0,0|1,0,2]=3 234 B7R1.3 O=C1CCCCC1 MCULE-5664385838 [0,0,0,0,0,0|0,0,2]=2 235 B7R1.3 O=C1CCCCN1 MCULE-9168245534 [0,0,0,0,0,0|1,0,1]=2 236 B7R1.3 O=C1CCCCO1 MCULE-4682307363 [0,0,0,0,0,0|1,0,1]=2 237 B7R1.3 O=C1CCCCS1 MCULE-5383777119 [0,0,0,0,0,0|1,0,1]=2 238 B7R1.3 O=C1CCCNC1 MCULE-2774326662 [0,0,0,0,0,0|1,0,1]=2 239 B7R1.3 O=C1CCCNC1 MCULE-8149766009 [0,0,0,0,0,0|1,0,1]=2 240 B7R1.3 O=C1CCCOC1 MCULE-5268404224 [0,0,0,0,0,0|1,0,1]=2 241 B7R1.3 O=C1CCCSC1 MCULE-1649390503 [0,0,0,0,0,0|1,0,1]=2 242 B7R1.3 O=C1CCNCC1 MCULE-7526186270 [0,0,0,0,0,0|1,0,2]=3 243 B7R1.3 O=C1CCNCC1 MCULE-9761063200 [0,0,0,0,0,0|1,0,2]=3 244 B7R1.3 O=C1CCNCN1 MCULE-5793765281 [0,0,0,0,0,0|2,0,1]=3 245 B7R1.3 O=C1CCOCC1 MCULE-6728095514 [0,0,0,0,0,0|1,0,2]=3 246 B7R1.3 O=C1CCSCC1 MCULE-8638366518 [0,0,0,0,0,0|1,0,2]=3 247 B7R1.3 O=C1CNCCN1 MCULE-5599978871 [0,0,0,0,0,0|2,0,1]=3 248 B7R1.3 O=C1CNCCO1 MCULE-2634056082 [0,0,0,0,0,0|2,0,1]=3 249 B7R1.3 O=C1CNCCO1 MCULE-6420255529 [0,0,0,0,0,0|2,0,1]=3 250 B7R1.3 O=C1COCCN1 MCULE-8242898041 [0,0,0,0,0,0|2,0,1]=3 251 B7R1.3 O=C1COCCO1 MCULE-5754504096 [0,0,0,0,0,0|2,0,1]=3 252 B7R1.3 O=C1CSC=CN1 MCULE-7195428643 [0,0,0,0,0,0|2,0,1]=3 253 B7R1.3 O=C1CSCCN1 MCULE-1492056440 [0,0,0,0,0,0|2,0,1]=3 254 B7R1.3 O=C1CSCSC1 MCULE-8034252746 [0,0,0,0,0,0|2,0,1]=3 255 B7R1.3 O=C1N=CC=CN1 MCULE-7966583838 [0,0,0,0,0,0|2,0,2]=4 256 B7R1.3 O=C1NCCCN1 MCULE-4876148406 [0,0,0,0,0,0|2,0,1]=3 257 B7R1.3 O=C1NCCCO1 MCULE-9333383492 [0,0,0,0,0,0|2,0,1]=3 258 B7R1.3 O=C1NNCCO1 MCULE-2913818828 [0,0,0,0,0,0|3,0,0]=3 259 B7R1.3 O=C1OCCCO1 MCULE-7728322911 [0,0,0,0,0,0|2,0,1]=3 260 B7R1.3 O=P1OCCCO1 MCULE-9154920312 [0,0,0,0,0,0|3,0,1]=4 261 B7R1.3 O=S1CCCCC1 MCULE-1275253796 [0,0,0,0,0,0|1,0,2]=3 262 B7R1.3 O=S1CCCSC1 MCULE-5552019770 [0,0,0,0,0,0|2,0,1]=3 263 B7R1.3 O=S1CCNCC1 MCULE-1812570930 [0,0,0,0,0,0|2,0,2]=4 264 B7R1.3 O=S1CCNCC1 MCULE-9878649050 [0,0,0,0,0,0|2,0,2]=4 265 B7R1.3 O=S1CCOCC1 MCULE-4979531002 [0,0,0,0,0,0|2,0,2]=4 266 B7R1.3 O=S1OCCCO1 MCULE-4755606100 [0,0,0,0,0,0|3,0,1]=4 267 B7R1.3 OC1=CC=CC=C1 MCULE-9943948107 [0,0,0,0,0,0|0,0,4]=4 268 B7R1.3 OC1=CC=NC=C1 MCULE-8174139341 [0,0,0,0,0,0|1,0,3]=4 269 B7R1.3 OC1=CN=CC=C1 MCULE-3642491076 [0,0,0,0,0,0|1,0,3]=4 270 B7R1.3 OC1=CN=NC=C1 MCULE-1540029580 [0,0,0,0,0,0|2,0,2]=4 271 B7R1.3 OC1=CN=NC=C1 MCULE-6611771561 [0,0,0,0,0,0|2,0,2]=4 272 B7R1.3 OC1=CN=NC=C1 MCULE-7631421509 [0,0,0,0,0,0|2,0,2]=4 273 B7R1.3 OC1=CN=NCC1 MCULE-3904781537 [0,0,0,0,0,0|2,0,1]=3 274 B7R1.3 OC1=NC=CC=C1 MCULE-2999696825 [0,0,0,0,0,0|1,0,3]=4 275 B7R1.3 OC1=NC=CC=C1 MCULE-3754843987 [0,0,0,0,0,0|1,0,3]=4 276 B7R1.3 OC1=NC=NC=C1 MCULE-3773308915 [0,0,0,0,0,0|2,0,2]=4 277 B7R1.3 OC1=NN=CC=C1 MCULE-6627322308 [0,0,0,0,0,0|2,0,2]=4 278 B7R1.3 OC1C=CCCC1 MCULE-3255466542 [0,0,0,0,0,0|0,0,2]=2 279 B7R1.3 OC1C=CCNC1 MCULE-1616136732 [0,0,0,0,0,0|1,0,2]=3 280 B7R1.3 OC1C=CCNC1 MCULE-6073391464 [0,0,0,0,0,0|1,0,2]=3 281 B7R1.3 OC1C=CCOC1 MCULE-7810293257 [0,0,0,0,0,0|1,0,2]=3 282 B7R1.3 OC1CC=CCC1 MCULE-9472259407 [0,0,0,0,0,0|0,0,4]=4 283 B7R1.3 OC1CCCCC1 MCULE-8217921343 [0,0,0,0,0,0|0,0,4]=4 284 B7R1.3 OC1CCCCN1 MCULE-7168605870 [0,0,0,0,0,0|1,0,3]=4 285 B7R1.3 OC1CCCCN1 MCULE-9833825308 [0,0,0,0,0,0|1,0,3]=4 286 B7R1.3 OC1CCCCO1 MCULE-1415784498 [0,0,0,0,0,0|1,0,3]=4 287 B7R1.3 OC1CCCNC1 MCULE-4557845355 [0,0,0,0,0,0|1,0,3]=4 288 B7R1.3 OC1CCCNC1 MCULE-6040312691 [0,0,0,0,0,0|1,0,3]=4 289 B7R1.3 OC1CCCOC1 MCULE-3820663957 [0,0,0,0,0,0|1,0,3]=4 290 B7R1.3 OC1CCCOC1 MCULE-4349250540 [0,0,0,0,0,0|1,0,3]=4 291 B7R1.3 OC1CCCSC1 MCULE-1448781710 [0,0,0,0,0,0|1,0,3]=4 292 B7R1.3 ON1CCCCC1 MCULE-5529301217 [0,0,0,0,0,0|1,0,3]=4 293 B7R1.3 O[C@@H]1CCCNC1 MCULE-3395625072 [0,0,0,0,0,0|1,0,3]=4 294 B7R1.3 O[C@@H]1CCCNC1 MCULE-5041834047 [0,0,0,0,0,0|1,0,3]=4 295 B7R1.3 O[C@@H]1CCCNC1 MCULE-5939951996 [0,0,0,0,0,0|1,0,3]=4 296 B7R1.3 O[C@@H]1CCCNC1 MCULE-8822637089 [0,0,0,0,0,0|1,0,3]=4 297 B7R1.3 O[C@@H]1CCCOC1 MCULE-1439860824 [0,0,0,0,0,0|1,0,3]=4 298 B7R1.3 O[C@@H]1CCCOC1 MCULE-5515107963 [0,0,0,0,0,0|1,0,3]=4 299 B7R1.3 O[C@H]1C=CCCC1 MCULE-5543899109 [0,0,0,0,0,0|0,0,2]=2 300 B7R1.3 O[C@H]1CCCNC1 MCULE-3813591488 [0,0,0,0,0,0|1,0,3]=4 301 B7R1.3 O[C@H]1CCCNC1 MCULE-5223055424 [0,0,0,0,0,0|1,0,3]=4 302 B7R1.3 O[C@H]1CCCNC1 MCULE-7646198322 [0,0,0,0,0,0|1,0,3]=4 303 B7R1.3 O[C@H]1CCCNC1 MCULE-7875547684 [0,0,0,0,0,0|1,0,3]=4 304 B7R1.3 O[C@H]1CCCOC1 MCULE-2228949296 [0,0,0,0,0,0|1,0,3]=4 305 B7R1.3 O[C@H]1CCCOC1 MCULE-6500179909 [0,0,0,0,0,0|1,0,3]=4 306 B7R1.3 S=C1C=CNC=N1 MCULE-9568191260 [0,0,0,0,0,0|2,1,1]=4 307 B7R1.3 S=C1C=CSC=C1 MCULE-7695867035 [0,0,0,0,0,0|1,1,2]=4 308 B7R1.3 S=C1CCCCC1 MCULE-6072375043 [0,0,0,0,0,0|0,1,2]=3 309 B7R1.3 S=C1CCCCN1 MCULE-2004608075 [0,0,0,0,0,0|1,1,1]=3 310 B7R1.3 S=C1COCCN1 MCULE-1743172522 [0,0,0,0,0,0|2,1,1]=4 311 B7R1.3 S=C1NCCCN1 MCULE-6601711997 [0,0,0,0,0,0|2,1,1]=4 312 B7R1.3 S=C1NCCCO1 MCULE-2364674450 [0,0,0,0,0,0|2,1,1]=4 313 B7R1.3 S=C1NCCCS1 MCULE-8898215455 [0,0,0,0,0,0|2,1,1]=4 314 B7R1.3 SC1=CC=CC=C1 MCULE-4163310418 [0,0,0,0,0,0|0,1,3]=4 315 B7R1.3 SC1=CC=CN=C1 MCULE-9525581887 [0,0,0,0,0,0|1,1,2]=4 316 B7R1.3 SC1=CC=CN=N1 MCULE-9789831563 [0,0,0,0,0,0|2,1,1]=4 317 B7R1.3 SC1=CC=NC=C1 MCULE-3831930136 [0,0,0,0,0,0|1,1,2]=4 318 B7R1.3 SC1=NC=CC=C1 MCULE-7596777399 [0,0,0,0,0,0|1,1,2]=4 319 B7R1.3 SC1CCCCC1 MCULE-2644288416 [0,0,0,0,0,0|0,1,3]=4 320 B7R1.3 SC1CCCNC1 MCULE-4464031027 [0,0,0,0,0,0|1,1,2]=4 321 B7R1.3 SC1CCCNC1 MCULE-5566651293 [0,0,0,0,0,0|1,1,2]=4 322 B7R1.3 SC1CCCOC1 MCULE-9540212924 [0,0,0,0,0,0|1,1,2]=4 323 B7R1.3 S[C@H]1CCCNC1 MCULE-5377455102 [0,0,0,0,0,0|1,1,2]=4 324 B7R1.3 S[C@H]1CCCNC1 MCULE-9668422285 [0,0,0,0,0,0|1,1,2]=4 325 B7R1.3 [NH3+]C1=CC=CC=C1 MCULE-9905192822 [0,0,0,0,0,0|1,0,3]=4 326 B7R1.3 [NH3+]C1CCCCC1 MCULE-7876724648 [0,0,0,0,0,0|1,0,3]=4 327 B7R1.3 [O-]C1=CC=CC=C1 MCULE-5246831405 [0,0,0,0,0,0|0,0,4]=4 328 B7R1.3 [O-]C1=CC=CC=C1 MCULE-6247775078 [0,0,0,0,0,0|0,0,4]=4 329 B7R1.3 [O-]C1=CC=CN=C1 MCULE-1560104113 [0,0,0,0,0,0|1,0,3]=4 330 B7R1.3 [S-]C1=CC=CC=C1 MCULE-3321060651 [0,0,0,0,0,0|0,1,3]=4 331 B7R1.3 [S-]C1=CC=CC=C1 MCULE-7291563321 [0,0,0,0,0,0|0,1,3]=4 332 B6R1.1 C1=CC=CC=C1 MCULE-4899719484 [1,0,0,0,0,0|0,0,3]=4 333 B6R1.1 C1=CC=NC=C1 MCULE-4028120692 [1,0,0,0,0,0|1,0,2]=4 334 B6R1.1 C1=CC=NN=C1 MCULE-8903555610 [1,0,0,0,0,0|2,0,1]=4 335 B6R1.1 C1=CC=[O+]C=C1 MCULE-1614244243 [1,0,0,0,0,0|1,0,2]=4 336 B6R1.1 C1=CC=[O+]C=C1 MCULE-7104367772 [1,0,0,0,0,0|1,0,2]=4 337 B6R1.1 C1=CCC=CC1 MCULE-5587669746 [1,0,0,0,0,0|0,0,3]=4 338 B6R1.1 C1=CCCC=C1 MCULE-9111393952 [1,0,0,0,0,0|0,0,1]=2 339 B6R1.1 C1=CCCCC1 MCULE-3564016252 [1,0,0,0,0,0|0,0,1]=2 340 B6R1.1 C1=CCNCC1 MCULE-4850984502 [1,0,0,0,0,0|1,0,1]=3 341 B6R1.1 C1=CCNCC1 MCULE-9744767398 [1,0,0,0,0,0|1,0,1]=3 342 B6R1.1 C1=CCOCC1 MCULE-7723901693 [1,0,0,0,0,0|1,0,1]=3 343 B6R1.1 C1=CCONC1 MCULE-7264346127 [1,0,0,0,0,0|2,0,1]=4 344 B6R1.1 C1=CCONC1 MCULE-7621269131 [1,0,0,0,0,0|2,0,1]=4 345 B6R1.1 C1=CN=CN=C1 MCULE-4261708822 [1,0,0,0,0,0|2,0,1]=4 346 B6R1.1 C1=CN=NC=C1 MCULE-3487470460 [1,0,0,0,0,0|2,0,1]=4 347 B6R1.1 C1=COCCC1 MCULE-1260841717 [1,0,0,0,0,0|1,0,0]=2 348 B6R1.1 C1=COCCO1 MCULE-2562788031 [1,0,0,0,0,0|2,0,0]=3 349 B6R1.1 C1=COCOC1 MCULE-9916358884 [1,0,0,0,0,0|2,0,0]=3 350 B6R1.1 C1=NCCCC1 MCULE-7101012273 [1,0,0,0,0,0|1,0,1]=3 351 B6R1.1 C1=NCCCN1 MCULE-8199642953 [1,0,0,0,0,0|2,0,0]=3 352 B6R1.1 C1CCCCC1 MCULE-3136361765 [1,0,0,0,0,0|0,0,3]=4 353 B6R1.1 C1CCNCC1 MCULE-4094049864 [1,0,0,0,0,0|1,0,2]=4 354 B6R1.1 C1CCNNC1 MCULE-6440414301 [1,0,0,0,0,0|2,0,1]=4 355 B6R1.1 C1CCNNC1 MCULE-6764314654 [1,0,0,0,0,0|2,0,1]=4 356 B6R1.1 C1CCOCC1 MCULE-6904583049 [1,0,0,0,0,0|1,0,2]=4 357 B6R1.1 C1CCONC1 MCULE-4106728300 [1,0,0,0,0,0|2,0,1]=4 358 B6R1.1 C1CCONC1 MCULE-7653057344 [1,0,0,0,0,0|2,0,1]=4 359 B6R1.1 C1CCSCC1 MCULE-5775966946 [1,0,0,0,0,0|1,0,2]=4 360 B6R1.1 C1CNCOC1 MCULE-7862832103 [1,0,0,0,0,0|2,0,1]=4 361 B6R1.1 C1CNCSC1 MCULE-2728084068 [1,0,0,0,0,0|2,0,1]=4 362 B6R1.1 C1CNCSC1 MCULE-3301332730 [1,0,0,0,0,0|2,0,1]=4 363 B6R1.1 C1COCOC1 MCULE-3698539550 [1,0,0,0,0,0|2,0,1]=4 364 B6R1.1 C1CSCSC1 MCULE-5626011651 [1,0,0,0,0,0|2,0,1]=4 365 B8R1.2 BrC=C1CCCCC1 MCULE-1203677785 [0,1,0,0,0,0|1,0,2]=4 366 B8R1.2 BrCC1=CCCCC1 MCULE-4196033923 [0,1,0,0,0,0|1,0,1]=3 367 B8R1.2 BrCC1C=CCCC1 MCULE-3497010416 [0,1,0,0,0,0|1,0,1]=3 368 B8R1.2 C#CC1=CCCCC1 MCULE-2729587527 [0,1,0,0,0,0|1,0,1]=3 369 B8R1.2 CC=C1CCCCC1 MCULE-6327883518 [0,1,0,0,0,0|1,0,2]=4 370 B8R1.2 CCC1=CCCC=C1 MCULE-7185315314 [0,1,0,0,0,0|1,0,1]=3 371 B8R1.2 CCC1=NCCCC1 MCULE-5828184755 [0,1,0,0,0,0|2,0,1]=4 372 B8R1.2 COC1=CCCCC1 MCULE-9079372045 [0,1,0,0,0,0|0,0,2]=3 373 B8R1.2 COC1=CCOCC1 MCULE-8337045524 [0,1,0,0,0,0|1,0,2]=4 374 B8R1.2 COC1=NCCCC1 MCULE-3080988027 [0,1,0,0,0,0|1,0,2]=4 375 B8R1.2 COC1C=CCCC1 MCULE-4692829014 [0,1,0,0,0,0|0,0,2]=3 376 B8R1.2 ClN=C1CCCCC1 MCULE-6786339883 [0,1,0,0,0,0|1,0,2]=4 377 B8R1.2 IC=C1CCCCC1 MCULE-9165742833 [0,1,0,0,0,0|1,0,2]=4 378 B8R1.2 N#CC1=CCCCC1 MCULE-7215745635 [0,1,0,0,0,0|1,0,1]=3 379 B8R1.2 N#CC1=CCCCO1 MCULE-5646992777 [0,1,0,0,0,0|2,0,1]=4 380 B8R1.2 N#CC1=CCNCC1 MCULE-2620119006 [0,1,0,0,0,0|2,0,1]=4 381 B8R1.2 N#CC1=CCNCC1 MCULE-3274888010 [0,1,0,0,0,0|2,0,1]=4 382 B8R1.2 N#CC1=CCOCC1 MCULE-6283793140 [0,1,0,0,0,0|2,0,1]=4 383 B8R1.2 N#CC1=COCCO1 MCULE-5964511526 [0,1,0,0,0,0|3,0,0]=4 384 B8R1.2 NCC1=CCCCC1 MCULE-3951635533 [0,1,0,0,0,0|1,0,1]=3 385 B8R1.2 NCC1=CCCCC1 MCULE-4923330324 [0,1,0,0,0,0|1,0,1]=3 386 B8R1.2 NCC1=CCCOC1 MCULE-1828364688 [0,1,0,0,0,0|2,0,1]=4 387 B8R1.2 NCC1=CCCOC1 MCULE-8439895783 [0,1,0,0,0,0|2,0,1]=4 388 B8R1.2 NCC1=CCOCC1 MCULE-5018009136 [0,1,0,0,0,0|2,0,1]=4 389 B8R1.2 NCC1=CCOCC1 MCULE-6920828049 [0,1,0,0,0,0|2,0,1]=4 390 B8R1.2 O=CC1=CC=CC=C1 MCULE-7744113682 [0,1,0,0,0,0|0,0,3]=4 391 B8R1.2 O=CC1=CC=CC=N1 MCULE-4937131604 [0,1,0,0,0,0|1,0,2]=4 392 B8R1.2 O=CC1=CC=CN=C1 MCULE-3309731741 [0,1,0,0,0,0|1,0,2]=4 393 B8R1.2 O=CC1=CC=CN=N1 MCULE-4854117500 [0,1,0,0,0,0|2,0,1]=4 394 B8R1.2 O=CC1=CC=NC=C1 MCULE-5970042944 [0,1,0,0,0,0|1,0,2]=4 395 B8R1.2 O=CC1=CCCCC1 MCULE-6209420256 [0,1,0,0,0,0|0,0,1]=2 396 B8R1.2 O=CC1=CCCOC1 MCULE-5495935874 [0,1,0,0,0,0|1,0,1]=3 397 B8R1.2 O=CC1=CCCSC1 MCULE-9611960845 [0,1,0,0,0,0|1,0,1]=3 398 B8R1.2 O=CC1=CN=NC=C1 MCULE-1523327227 [0,1,0,0,0,0|2,0,1]=4 399 B8R1.2 O=CC1=COCCC1 MCULE-5246467858 [0,1,0,0,0,0|1,0,0]=2 400 B8R1.2 O=CC1=COCCO1 MCULE-4502742368 [0,1,0,0,0,0|2,0,0]=3 401 B8R1.2 O=CC1=NC=NC=C1 MCULE-2340151808 [0,1,0,0,0,0|2,0,1]=4 402 B8R1.2 O=CC1C=CCCC1 MCULE-7360804121 [0,1,0,0,0,0|0,0,1]=2 403 B8R1.2 O=CC1CC=CCC1 MCULE-4752119585 [0,1,0,0,0,0|0,0,3]=4 404 B8R1.2 O=CC1CCC=CO1 MCULE-1271711654 [0,1,0,0,0,0|1,0,2]=4 405 B8R1.2 O=CC1CCCCC1 MCULE-7345097178 [0,1,0,0,0,0|0,0,3]=4 406 B8R1.2 O=CC1CCCCN1 MCULE-7681438476 [0,1,0,0,0,0|1,0,2]=4 407 B8R1.2 O=CC1CCCCN1 MCULE-9370686295 [0,1,0,0,0,0|1,0,2]=4 408 B8R1.2 O=CC1CCCCO1 MCULE-6497412510 [0,1,0,0,0,0|1,0,2]=4 409 B8R1.2 O=CC1CCCNC1 MCULE-4037480911 [0,1,0,0,0,0|1,0,2]=4 410 B8R1.2 O=CC1CCCNC1 MCULE-9205787069 [0,1,0,0,0,0|1,0,2]=4 411 B8R1.2 O=CC1CCCOC1 MCULE-6841728518 [0,1,0,0,0,0|1,0,2]=4 412 B8R1.2 O=CC1CCCSC1 MCULE-8369808876 [0,1,0,0,0,0|1,0,2]=4 413 B8R1.2 O=CN1C=COCC1 MCULE-2988916890 [0,1,0,0,0,0|2,0,0]=3 414 B8R1.2 O=CN1CCCCC1 MCULE-3028605826 [0,1,0,0,0,0|1,0,2]=4 415 B8R1.2 O=C[C@@H]1CCC=CO1 MCULE-1864295712 [0,1,0,0,0,0|1,0,2]=4 416 B8R1.2 O=NC1=CC=CC=C1 MCULE-1238676706 [0,1,0,0,0,0|0,0,3]=4 417 B8R1.2 O=NC1=NC=CC=C1 MCULE-1124153701 [0,1,0,0,0,0|1,0,2]=4 418 B8R1.2 O=NN1CC=CCC1 MCULE-2216609455 [0,1,0,0,0,0|1,0,2]=4 419 B8R1.2 O=NN1CCCCC1 MCULE-6180064865 [0,1,0,0,0,0|1,0,2]=4 420 B8R1.2 O=[As]C1=CC=CC=C1 MCULE-7322278015 [0,1,0,0,0,0|0,0,3]=4 421 B8R1.2 O=[IH2]C1=CC=CC=C1 MCULE-1680338934 [0,1,0,0,0,0|0,0,3]=4 422 B8R1.2 OCC1=CCCCC1 MCULE-2422738199 [0,1,0,0,0,0|0,0,2]=3 423 B8R1.2 OCC1=CCCCO1 MCULE-1995059172 [0,1,0,0,0,0|1,0,2]=4 424 B8R1.2 OCC1=CCCOC1 MCULE-5407184933 [0,1,0,0,0,0|1,0,2]=4 425 B8R1.2 OCC1=CCOCC1 MCULE-6666473990 [0,1,0,0,0,0|1,0,2]=4 426 B8R1.2 OCC1=NOCCC1 MCULE-7754725295 [0,1,0,0,0,0|2,0,1]=4 427 B8R1.2 OCC1C=CCCC1 MCULE-3264381346 [0,1,0,0,0,0|0,0,2]=3 428 B8R1.2 OCC1C=CCCN1 MCULE-1476642397 [0,1,0,0,0,0|1,0,2]=4 429 B8R1.2 ON=C1CCCCC1 MCULE-4628080057 [0,1,0,0,0,0|0,0,3]=4 430 B8R1.3 C1(CNC(=O)CN1)C MCULE-9891046463 [0,1,0,0,0,0|2,0,1]=4 431 B8R1.3 C=C1CCC(=O)CC1 MCULE-8766071389 [0,1,0,0,0,0|0,0,3]=4 432 B8R1.3 C=C1CCC(CC1)C MCULE-8335929583 [0,1,0,0,0,0|1,0,2]=4 433 B8R1.3 C=C1CCC(CC1)N MCULE-3488509161 [0,1,0,0,0,0|1,0,2]=4 434 B8R1.3 C=C1CCC(CC1)N MCULE-4928995581 [0,1,0,0,0,0|1,0,2]=4 435 B8R1.3 CC1=CCC(=O)CC1 MCULE-5396065385 [0,1,0,0,0,0|0,0,2]=3 436 B8R1.3 CC1=CCC(CC1)N MCULE-2698586518 [0,1,0,0,0,0|1,0,1]=3 437 B8R1.3 CC1=NNC(=O)C=C1 MCULE-2635221520 [0,1,0,0,0,0|2,0,1]=4 438 B8R1.3 CC1=NNC(=O)CC1 MCULE-3548202908 [0,1,0,0,0,0|2,0,1]=4 439 B8R1.3 CC1C=CC(=O)CC1 MCULE-6972928704 [0,1,0,0,0,0|0,0,0]=1 440 B8R1.3 CC1CC=C(CC1)Cl MCULE-9255462781 [0,1,0,0,0,0|1,0,1]=3 441 B8R1.3 CC1CCC(=O)CC1 MCULE-5534475096 [0,1,0,0,0,0|0,0,2]=3 442 B8R1.3 CC1CCC(=O)CC1 MCULE-9038467737 [0,1,0,0,0,0|0,0,2]=3 443 B8R1.3 CC1CCC(=O)CN1 MCULE-1285022466 [0,1,0,0,0,0|1,0,1]=3 444 B8R1.3 CC1CCC(=O)CN1 MCULE-9314433387 [0,1,0,0,0,0|1,0,1]=3 445 B8R1.3 CC1CCC(=O)CO1 MCULE-8334906567 [0,1,0,0,0,0|1,0,1]=3 446 B8R1.3 CC1CCC(=O)CS1 MCULE-9188619559 [0,1,0,0,0,0|1,0,1]=3 447 B8R1.3 CC1CCC(=O)NC1 MCULE-1307751847 [0,1,0,0,0,0|1,0,1]=3 448 B8R1.3 CC1CNC(=O)CN1 MCULE-2050820306 [0,1,0,0,0,0|2,0,1]=4 449 B8R1.3 CC1CNC(=O)CN1 MCULE-9509469557 [0,1,0,0,0,0|2,0,1]=4 450 B8R1.3 CC1CNC(=O)CO1 MCULE-6817757578 [0,1,0,0,0,0|2,0,1]=4 451 B8R1.3 CC1COC(=O)OC1 MCULE-6795228051 [0,1,0,0,0,0|2,0,1]=4 452 B8R1.3 CN1CC=C(CC1)Br MCULE-7803632839 [0,1,0,0,0,0|2,0,1]=4 453 B8R1.3 CN1CC=C(CC1)Br MCULE-9568791028 [0,1,0,0,0,0|2,0,1]=4 454 B8R1.3 CN1CCC(=O)CC1 MCULE-3370577555 [0,1,0,0,0,0|1,0,2]=4 455 B8R1.3 CN1CCC(=O)CC1 MCULE-5364011649 [0,1,0,0,0,0|1,0,2]=4 456 B8R1.3 C[C@@H]1CCC(=O)CN1 MCULE-4693797730 [0,1,0,0,0,0|1,0,1]=3 457 B8R1.3 C[C@@H]1CCC(=O)CN1 MCULE-5991774380 [0,1,0,0,0,0|1,0,1]=3 458 B8R1.3 C[C@@H]1CCC(=O)CN1 MCULE-6484213897 [0,1,0,0,0,0|1,0,1]=3 459 B8R1.3 C[C@@H]1CCC(=O)CN1 MCULE-7346191190 [0,1,0,0,0,0|1,0,1]=3 460 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-1088991552 [0,1,0,0,0,0|2,0,1]=4 461 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-1952714815 [0,1,0,0,0,0|2,0,1]=4 462 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-3350871833 [0,1,0,0,0,0|2,0,1]=4 463 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-9637742350 [0,1,0,0,0,0|2,0,1]=4 464 B8R1.3 C[C@@H]1CNC(=O)CO1 MCULE-7192421297 [0,1,0,0,0,0|2,0,1]=4 465 B8R1.3 C[C@@H]1CNC(=O)CO1 MCULE-7394512903 [0,1,0,0,0,0|2,0,1]=4 466 B8R1.3 C[C@H]1CCC(=O)CN1 MCULE-6334939841 [0,1,0,0,0,0|1,0,1]=3 467 B8R1.3 C[C@H]1CCC(=O)CN1 MCULE-8476307649 [0,1,0,0,0,0|1,0,1]=3 468 B8R1.3 C[C@H]1CCC(=O)NC1 MCULE-5712112445 [0,1,0,0,0,0|1,0,1]=3 469 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-3373819559 [0,1,0,0,0,0|2,0,1]=4 470 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-4486681671 [0,1,0,0,0,0|2,0,1]=4 471 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-7180229103 [0,1,0,0,0,0|2,0,1]=4 472 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-9466864223 [0,1,0,0,0,0|2,0,1]=4 473 B8R1.3 C[C@H]1CNC(=O)CO1 MCULE-6169535590 [0,1,0,0,0,0|2,0,1]=4 474 B8R1.3 C[C@H]1CNC(=O)CO1 MCULE-8876635175 [0,1,0,0,0,0|2,0,1]=4 475 B8R1.3 NC1CC=C(CC1)F MCULE-2544035375 [0,1,0,0,0,0|1,0,1]=3 476 B8R1.3 NC1CC=C(CC1)F MCULE-8564869491 [0,1,0,0,0,0|1,0,1]=3 477 B8R1.3 NC1CCC(=O)CC1 MCULE-5825363145 [0,1,0,0,0,0|0,0,2]=3 478 B8R1.3 NC1CCC(=O)CC1 MCULE-6212878324 [0,1,0,0,0,0|0,0,2]=3 479 B8R1.3 NC1CCC(=O)NC1 MCULE-2677675224 [0,1,0,0,0,0|1,0,1]=3 480 B8R1.3 NC1CCC(=O)NC1 MCULE-8711968877 [0,1,0,0,0,0|1,0,1]=3 481 B8R1.3 NC1CCC(=O)NC1 MCULE-8915391016 [0,1,0,0,0,0|1,0,1]=3 482 B8R1.3 NC1CCS(=O)CC1 MCULE-3451996362 [0,1,0,0,0,0|1,0,2]=4 483 B8R1.3 NC1CCS(=O)CC1 MCULE-4019175019 [0,1,0,0,0,0|1,0,2]=4 484 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-5372893548 [0,1,0,0,0,0|1,0,1]=3 485 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-6411408704 [0,1,0,0,0,0|1,0,1]=3 486 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-6771263407 [0,1,0,0,0,0|1,0,1]=3 487 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-9035818807 [0,1,0,0,0,0|1,0,1]=3 488 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-1921494480 [0,1,0,0,0,0|1,0,1]=3 489 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-4843708987 [0,1,0,0,0,0|1,0,1]=3 490 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-6599794889 [0,1,0,0,0,0|1,0,1]=3 491 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-7112568050 [0,1,0,0,0,0|1,0,1]=3 492 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-9053885307 [0,1,0,0,0,0|1,0,1]=3 493 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-9780118077 [0,1,0,0,0,0|1,0,1]=3 494 B8R1.3 O=C1C=CC(=CN1)Br MCULE-5174732595 [0,1,0,0,0,0|1,0,2]=4 495 B8R1.3 O=C1C=CC(=CO1)Br MCULE-6339514817 [0,1,0,0,0,0|1,0,2]=4 496 B8R1.3 O=C1C=CC(=NN1)Cl MCULE-9091661850 [0,1,0,0,0,0|2,0,1]=4 497 B8R1.3 O=C1C=CC(=NN1)F MCULE-8050086590 [0,1,0,0,0,0|2,0,1]=4 498 B8R1.3 O=C1C=CC(=O)C=C1 MCULE-2576853438 [0,1,0,0,0,0|0,0,3]=4 499 B8R1.3 O=C1C=CC(=O)N=N1 MCULE-5664955304 [0,1,0,0,0,0|2,0,1]=4 500 B8R1.3 O=C1C=CC(=O)NN1 MCULE-5100178532 [0,1,0,0,0,0|2,0,1]=4 501 B8R1.3 O=C1C=CC(OC1)O MCULE-1206409270 [0,1,0,0,0,0|1,0,0]=2 502 B8R1.3 O=C1C=CN(C=C1)O MCULE-2975189217 [0,1,0,0,0,0|1,0,2]=4 503 B8R1.3 O=C1CC=C(C=N1)Br MCULE-7996644847 [0,1,0,0,0,0|1,0,2]=4 504 B8R1.3 O=C1CCC(=O)CC1 MCULE-5432049567 [0,1,0,0,0,0|0,0,3]=4 505 B8R1.3 O=C1CCC(=O)NC1 MCULE-8297515560 [0,1,0,0,0,0|1,0,2]=4 506 B8R1.3 O=C1CCC(=O)NN1 MCULE-3404255918 [0,1,0,0,0,0|2,0,1]=4 507 B8R1.3 O=C1CCC(=O)OC1 MCULE-5478039984 [0,1,0,0,0,0|1,0,2]=4 508 B8R1.3 O=C1CCC(CC1)Br MCULE-1177789896 [0,1,0,0,0,0|0,0,2]=3 509 B8R1.3 O=C1CCC(CC1)Cl MCULE-3647406761 [0,1,0,0,0,0|0,0,2]=3 510 B8R1.3 O=C1CCC(CC1)F MCULE-5757540710 [0,1,0,0,0,0|0,0,2]=3 511 B8R1.3 O=C1CCC(CC1)O MCULE-7247867750 [0,1,0,0,0,0|0,0,2]=3 512 B8R1.3 O=C1CCC(CN1)F MCULE-1848493447 [0,1,0,0,0,0|1,0,1]=3 513 B8R1.3 O=C1CCC(CN1)O MCULE-4501886280 [0,1,0,0,0,0|1,0,1]=3 514 B8R1.3 O=C1CCC(CO1)O MCULE-6372408261 [0,1,0,0,0,0|1,0,1]=3 515 B8R1.3 O=C1CCS(=O)CC1 MCULE-5385870019 [0,1,0,0,0,0|1,0,2]=4 516 B8R1.3 O=C1CC[C@@H](CN1)O MCULE-3426407148 [0,1,0,0,0,0|1,0,1]=3 517 B8R1.3 O=C1CC[C@@H](CN1)O MCULE-9592320749 [0,1,0,0,0,0|1,0,1]=3 518 B8R1.3 O=C1CC[C@H](CN1)O MCULE-1500705916 [0,1,0,0,0,0|1,0,1]=3 519 B8R1.3 O=C1CC[C@H](CN1)O MCULE-9578240246 [0,1,0,0,0,0|1,0,1]=3 520 B8R1.3 O=C1NCC(CN1)O MCULE-7019603243 [0,1,0,0,0,0|2,0,1]=4 521 B8R1.3 O=S1CCC(CC1)O MCULE-7693506009 [0,1,0,0,0,0|1,0,2]=4 522 B8R1.3 O[C@@H]1C=C[C@H](CC1)O MCULE-6358884039 [0,1,0,0,0,0|0,0,2]=3 523 B8R1.3 O[C@H]1C=C[C@@H](CC1)O MCULE-2727087872 [0,1,0,0,0,0|0,0,2]=3 524 B8R1.3 O[C@H]1C=C[C@@H](CC1)O MCULE-9017888653 [0,1,0,0,0,0|0,0,2]=3 525 B8R1.4 C1(CC(=O)CCN1)C MCULE-1061296374 [0,1,0,0,0,0|1,0,2]=4 526 B8R1.4 C1(CC(=O)CCN1)C MCULE-4465075512 [0,1,0,0,0,0|1,0,2]=4 527 B8R1.4 C1(CC(=O)CCN1)C MCULE-9958407361 [0,1,0,0,0,0|1,0,2]=4 528 B8R1.4 C1(CNCC(=O)N1)C MCULE-3246707428 [0,1,0,0,0,0|2,0,1]=4 529 B8R1.4 C=C1CCCC(=O)O1 MCULE-1342678884 [0,1,0,0,0,0|1,0,0]=2 530 B8R1.4 CC1=CC(=O)C=CO1 MCULE-4709385267 [0,1,0,0,0,0|1,0,2]=4 531 B8R1.4 CC1=CC(=O)CCC1 MCULE-6849313207 [0,1,0,0,0,0|0,0,0]=1 532 B8R1.4 CC1=CC(=O)NC=N1 MCULE-4546584000 [0,1,0,0,0,0|2,0,1]=4 533 B8R1.4 CC1=CC(=O)NN=C1 MCULE-4739919200 [0,1,0,0,0,0|2,0,1]=4 534 B8R1.4 CC1=CC(=O)NON1 MCULE-9289039883 [0,1,0,0,0,0|3,0,0]=4 535 B8R1.4 CC1=CC(=O)OCC1 MCULE-1467184061 [0,1,0,0,0,0|1,0,0]=2 536 B8R1.4 CC1=CC(CCC1)O MCULE-3389687006 [0,1,0,0,0,0|0,0,2]=3 537 B8R1.4 CC1=CC(CNC1)C MCULE-4673363753 [0,1,0,0,0,0|2,0,1]=4 538 B8R1.4 CC1=CC(CNC1)C MCULE-8321555834 [0,1,0,0,0,0|2,0,1]=4 539 B8R1.4 CC1=CC=CC(=O)N1 MCULE-2763977381 [0,1,0,0,0,0|1,0,2]=4 540 B8R1.4 CC1=CC=NC(=O)C1 MCULE-4882777367 [0,1,0,0,0,0|1,0,2]=4 541 B8R1.4 CC1=CCCC(=O)C1 MCULE-8078773996 [0,1,0,0,0,0|0,0,2]=3 542 B8R1.4 CC1=CCCC(=O)O1 MCULE-1590433845 [0,1,0,0,0,0|1,0,1]=3 543 B8R1.4 CC1=NC(=O)C=CN1 MCULE-5044952802 [0,1,0,0,0,0|2,0,1]=4 544 B8R1.4 CC1CC(=O)CCN1 MCULE-3306158037 [0,1,0,0,0,0|1,0,2]=4 545 B8R1.4 CC1CC(=O)CCN1 MCULE-4556824309 [0,1,0,0,0,0|1,0,2]=4 546 B8R1.4 CC1CC(=O)CCN1 MCULE-6103506996 [0,1,0,0,0,0|1,0,2]=4 547 B8R1.4 CC1CC(=O)CCN1 MCULE-9670943852 [0,1,0,0,0,0|1,0,2]=4 548 B8R1.4 CC1CC(=O)CCO1 MCULE-3051168755 [0,1,0,0,0,0|1,0,2]=4 549 B8R1.4 CC1CC=CC(=O)O1 MCULE-3191839185 [0,1,0,0,0,0|1,0,0]=2 550 B8R1.4 CC1CCCC(=O)C1 MCULE-6473963111 [0,1,0,0,0,0|0,0,2]=3 551 B8R1.4 CC1CCCC(=O)C1 MCULE-9918051823 [0,1,0,0,0,0|0,0,2]=3 552 B8R1.4 CC1CCCC(=O)N1 MCULE-3851963076 [0,1,0,0,0,0|1,0,1]=3 553 B8R1.4 CC1CCCC(=O)O1 MCULE-4000069856 [0,1,0,0,0,0|1,0,1]=3 554 B8R1.4 CC1CCNC(=N)C1 MCULE-2615774284 [0,1,0,0,0,0|2,0,1]=4 555 B8R1.4 CC1CCNC(=N)C1 MCULE-9034088725 [0,1,0,0,0,0|2,0,1]=4 556 B8R1.4 CC1CCNC(=O)C1 MCULE-8903018599 [0,1,0,0,0,0|1,0,1]=3 557 B8R1.4 CC1CCNC(=O)N1 MCULE-6491047836 [0,1,0,0,0,0|2,0,1]=4 558 B8R1.4 CC1CCOC(=O)C1 MCULE-2682865017 [0,1,0,0,0,0|1,0,1]=3 559 B8R1.4 CC1CCOC(=O)O1 MCULE-5929311811 [0,1,0,0,0,0|2,0,1]=4 560 B8R1.4 CC1CNCC(=O)N1 MCULE-5727167900 [0,1,0,0,0,0|2,0,1]=4 561 B8R1.4 CC1CNCC(=O)N1 MCULE-9599432640 [0,1,0,0,0,0|2,0,1]=4 562 B8R1.4 CC1COCC(=O)N1 MCULE-4768427051 [0,1,0,0,0,0|2,0,1]=4 563 B8R1.4 CC1COCC(=O)N1 MCULE-5909800781 [0,1,0,0,0,0|2,0,1]=4 564 B8R1.4 CN1CCC=C(C1)Br MCULE-2257933393 [0,1,0,0,0,0|2,0,1]=4 565 B8R1.4 CN1CCC=C(C1)Br MCULE-5744160461 [0,1,0,0,0,0|2,0,1]=4 566 B8R1.4 CN1CCCC(=O)C1 MCULE-1067967474 [0,1,0,0,0,0|1,0,1]=3 567 B8R1.4 CN1CCCC(=O)C1 MCULE-4816876030 [0,1,0,0,0,0|1,0,1]=3 568 B8R1.4 CN1CCNC(=O)C1 MCULE-5564854834 [0,1,0,0,0,0|2,0,1]=4 569 B8R1.4 CN1CCOC(=O)C1 MCULE-2224720964 [0,1,0,0,0,0|2,0,1]=4 570 B8R1.4 CN1CCOC(=O)C1 MCULE-9163078129 [0,1,0,0,0,0|2,0,1]=4 571 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-7688577280 [0,1,0,0,0,0|1,0,2]=4 572 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-7762440526 [0,1,0,0,0,0|1,0,2]=4 573 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-8158589956 [0,1,0,0,0,0|1,0,2]=4 574 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-9544551566 [0,1,0,0,0,0|1,0,2]=4 575 B8R1.4 C[C@@H]1CC(=O)CCO1 MCULE-4878813100 [0,1,0,0,0,0|1,0,2]=4 576 B8R1.4 C[C@@H]1CC(=O)CCO1 MCULE-7917159022 [0,1,0,0,0,0|1,0,2]=4 577 B8R1.4 C[C@@H]1CCCC(=O)C1 MCULE-1868776628 [0,1,0,0,0,0|0,0,2]=3 578 B8R1.4 C[C@@H]1CCCC(=O)C1 MCULE-6973928430 [0,1,0,0,0,0|0,0,2]=3 579 B8R1.4 C[C@@H]1CCCC(=O)N1 MCULE-2050655386 [0,1,0,0,0,0|1,0,1]=3 580 B8R1.4 C[C@@H]1CCCC(=O)N1 MCULE-7049359933 [0,1,0,0,0,0|1,0,1]=3 581 B8R1.4 C[C@@H]1CCCC(=O)O1 MCULE-6306078053 [0,1,0,0,0,0|1,0,1]=3 582 B8R1.4 C[C@@H]1CCCC(=O)O1 MCULE-7616070208 [0,1,0,0,0,0|1,0,1]=3 583 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-3378865379 [0,1,0,0,0,0|2,0,1]=4 584 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-5740698320 [0,1,0,0,0,0|2,0,1]=4 585 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-7692987274 [0,1,0,0,0,0|2,0,1]=4 586 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-8897582822 [0,1,0,0,0,0|2,0,1]=4 587 B8R1.4 C[C@@H]1COCC(=O)N1 MCULE-1758598852 [0,1,0,0,0,0|2,0,1]=4 588 B8R1.4 C[C@@H]1COCC(=O)N1 MCULE-2011395384 [0,1,0,0,0,0|2,0,1]=4 589 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-1599463757 [0,1,0,0,0,0|1,0,2]=4 590 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-4580048332 [0,1,0,0,0,0|1,0,2]=4 591 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-5356496154 [0,1,0,0,0,0|1,0,2]=4 592 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-5733481696 [0,1,0,0,0,0|1,0,2]=4 593 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-6641640616 [0,1,0,0,0,0|1,0,2]=4 594 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-8001129555 [0,1,0,0,0,0|1,0,2]=4 595 B8R1.4 C[C@H]1CC(=O)CCO1 MCULE-7799394182 [0,1,0,0,0,0|1,0,2]=4 596 B8R1.4 C[C@H]1CCCC(=O)C1 MCULE-4643975445 [0,1,0,0,0,0|0,0,2]=3 597 B8R1.4 C[C@H]1CCCC(=O)C1 MCULE-6122391840 [0,1,0,0,0,0|0,0,2]=3 598 B8R1.4 C[C@H]1CCNC(=O)C1 MCULE-7120988665 [0,1,0,0,0,0|1,0,1]=3 599 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-3182538973 [0,1,0,0,0,0|2,0,1]=4 600 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-3207104811 [0,1,0,0,0,0|2,0,1]=4 601 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-5895954143 [0,1,0,0,0,0|2,0,1]=4 602 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-6535652978 [0,1,0,0,0,0|2,0,1]=4 603 B8R1.4 C[C@H]1COCC(=O)N1 MCULE-5693624195 [0,1,0,0,0,0|2,0,1]=4 604 B8R1.4 C[C@H]1COCC(=O)N1 MCULE-8476323396 [0,1,0,0,0,0|2,0,1]=4 605 B8R1.4 NC1=CC(=O)CCC1 MCULE-3362548403 [0,1,0,0,0,0|0,0,0]=1 606 B8R1.4 NC1=CC(=O)COC1 MCULE-7765608843 [0,1,0,0,0,0|1,0,0]=2 607 B8R1.4 NC1=CC(=O)NN=C1 MCULE-1959597477 [0,1,0,0,0,0|2,0,1]=4 608 B8R1.4 NC1=NC=CC(=O)N1 MCULE-7474139826 [0,1,0,0,0,0|2,0,1]=4 609 B8R1.4 NC1=NCCC(=O)N1 MCULE-1616157929 [0,1,0,0,0,0|2,0,0]=3 610 B8R1.4 NC1C=C(CCC1)F MCULE-7477602128 [0,1,0,0,0,0|1,0,1]=3 611 B8R1.4 NC1CCCC(=O)C1 MCULE-3659606498 [0,1,0,0,0,0|0,0,2]=3 612 B8R1.4 NC1CCCC(=O)C1 MCULE-8815445353 [0,1,0,0,0,0|0,0,2]=3 613 B8R1.4 NC1CCNC(=O)C1 MCULE-2185303732 [0,1,0,0,0,0|1,0,1]=3 614 B8R1.4 NC1CCNC(=O)C1 MCULE-4290135082 [0,1,0,0,0,0|1,0,1]=3 615 B8R1.4 NC1CCNC(=O)C1 MCULE-6525283699 [0,1,0,0,0,0|1,0,1]=3 616 B8R1.4 NC1CCNC(=O)C1 MCULE-8080194775 [0,1,0,0,0,0|1,0,1]=3 617 B8R1.4 NC1COCC(=O)C1 MCULE-4958107203 [0,1,0,0,0,0|1,0,1]=3 618 B8R1.4 NC1COCC(=O)C1 MCULE-9645630994 [0,1,0,0,0,0|1,0,1]=3 619 B8R1.4 N[C@@H]1CCCC(=O)C1 MCULE-4006583256 [0,1,0,0,0,0|0,0,2]=3 620 B8R1.4 N[C@@H]1CCNC(=O)C1 MCULE-8276559925 [0,1,0,0,0,0|1,0,1]=3 621 B8R1.4 N[C@@H]1COCC(=O)C1 MCULE-3299834957 [0,1,0,0,0,0|1,0,1]=3 622 B8R1.4 N[C@@H]1COCC(=O)C1 MCULE-6683156371 [0,1,0,0,0,0|1,0,1]=3 623 B8R1.4 N[C@H]1CCCC(=O)C1 MCULE-9786035316 [0,1,0,0,0,0|0,0,2]=3 624 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-1641151984 [0,1,0,0,0,0|1,0,1]=3 625 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-2042394403 [0,1,0,0,0,0|1,0,1]=3 626 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-6400271298 [0,1,0,0,0,0|1,0,1]=3 627 B8R1.4 O=C1C=C(C=CN1)F MCULE-3668200526 [0,1,0,0,0,0|1,0,2]=4 628 B8R1.4 O=C1C=C(C=CN1)I MCULE-3087331274 [0,1,0,0,0,0|1,0,2]=4 629 B8R1.4 O=C1C=C(C=CO1)Br MCULE-4630205017 [0,1,0,0,0,0|1,0,2]=4 630 B8R1.4 O=C1C=C(C=CO1)Cl MCULE-6319657516 [0,1,0,0,0,0|1,0,2]=4 631 B8R1.4 O=C1C=C(C=NN1)Cl MCULE-3362096457 [0,1,0,0,0,0|2,0,1]=4 632 B8R1.4 O=C1C=C(C=NN1)I MCULE-4212498492 [0,1,0,0,0,0|2,0,1]=4 633 B8R1.4 O=C1C=C(CCC1)Br MCULE-3733885681 [0,1,0,0,0,0|0,0,0]=1 634 B8R1.4 O=C1C=C(CCC1)Cl MCULE-9612484193 [0,1,0,0,0,0|0,0,0]=1 635 B8R1.4 O=C1C=C(CCC1)I MCULE-4085762002 [0,1,0,0,0,0|0,0,0]=1 636 B8R1.4 O=C1C=C(CCC1)O MCULE-5615245957 [0,1,0,0,0,0|0,0,0]=1 637 B8R1.4 O=C1C=C(CCN1)Br MCULE-5356952780 [0,1,0,0,0,0|1,0,0]=2 638 B8R1.4 O=C1C=C(COC1)O MCULE-2385941614 [0,1,0,0,0,0|1,0,0]=2 639 B8R1.4 O=C1C=C(N=CC1)Cl MCULE-8901399182 [0,1,0,0,0,0|1,0,1]=3 640 B8R1.4 O=C1C=C(NC=N1)Br MCULE-2673426547 [0,1,0,0,0,0|2,0,1]=4 641 B8R1.4 O=C1C=CC=C(N1)Cl MCULE-5990074384 [0,1,0,0,0,0|1,0,2]=4 642 B8R1.4 O=C1C=CC=C(N1)I MCULE-7962501587 [0,1,0,0,0,0|1,0,2]=4 643 B8R1.4 O=C1C=CNC(=O)C1 MCULE-7422070219 [0,1,0,0,0,0|1,0,1]=3 644 B8R1.4 O=C1C=CNC(=O)O1 MCULE-3791093466 [0,1,0,0,0,0|2,0,1]=4 645 B8R1.4 O=C1C=CNC(=[Se])N1 MCULE-7954757005 [0,1,0,0,0,0|2,0,1]=4 646 B8R1.4 O=C1C=COC(=O)C1 MCULE-9289887221 [0,1,0,0,0,0|1,0,1]=3 647 B8R1.4 O=C1CC(=O)NC=N1 MCULE-1818472509 [0,1,0,0,0,0|2,0,1]=4 648 B8R1.4 O=C1CC(CCN1)F MCULE-3828280868 [0,1,0,0,0,0|1,0,1]=3 649 B8R1.4 O=C1CC(CCN1)F MCULE-8150833328 [0,1,0,0,0,0|1,0,1]=3 650 B8R1.4 O=C1CC(CCN1)O MCULE-5400068518 [0,1,0,0,0,0|1,0,1]=3 651 B8R1.4 O=C1CC(CCN1)O MCULE-8702086069 [0,1,0,0,0,0|1,0,1]=3 652 B8R1.4 O=C1CCCC(=O)C1 MCULE-7494421285 [0,1,0,0,0,0|0,0,1]=2 653 B8R1.4 O=C1CCCC(=O)N1 MCULE-7505150579 [0,1,0,0,0,0|1,0,0]=2 654 B8R1.4 O=C1CCCC(=O)O1 MCULE-4866925975 [0,1,0,0,0,0|1,0,0]=2 655 B8R1.4 O=C1CCCC(C1)O MCULE-3100717907 [0,1,0,0,0,0|0,0,2]=3 656 B8R1.4 O=C1CCC[C@@H](C1)O MCULE-3841179351 [0,1,0,0,0,0|0,0,2]=3 657 B8R1.4 O=C1CCNC(=O)C1 MCULE-7662080105 [0,1,0,0,0,0|1,0,1]=3 658 B8R1.4 O=C1CCNC(=O)N1 MCULE-8986910982 [0,1,0,0,0,0|2,0,0]=3 659 B8R1.4 O=C1CCNC(=O)O1 MCULE-8298722634 [0,1,0,0,0,0|2,0,0]=3 660 B8R1.4 O=C1CCOC(=O)C1 MCULE-3134133687 [0,1,0,0,0,0|1,0,1]=3 661 B8R1.4 O=C1CNCC(=O)C1 MCULE-9390215509 [0,1,0,0,0,0|1,0,1]=3 662 B8R1.4 O=C1CNCC(=O)C1 MCULE-9631657912 [0,1,0,0,0,0|1,0,1]=3 663 B8R1.4 O=C1CNCC(=O)N1 MCULE-2684405909 [0,1,0,0,0,0|2,0,0]=3 664 B8R1.4 O=C1CNCC(=O)N1 MCULE-8918860650 [0,1,0,0,0,0|2,0,0]=3 665 B8R1.4 O=C1COCC(=O)C1 MCULE-1763175933 [0,1,0,0,0,0|1,0,1]=3 666 B8R1.4 O=C1COCC(=O)N1 MCULE-2640203723 [0,1,0,0,0,0|2,0,0]=3 667 B8R1.4 O=C1COCC(=O)O1 MCULE-7640970930 [0,1,0,0,0,0|2,0,0]=3 668 B8R1.4 O=C1COCC(C1)O MCULE-6056926421 [0,1,0,0,0,0|1,0,1]=3 669 B8R1.4 O=C1CSCC(=O)C1 MCULE-7749510849 [0,1,0,0,0,0|1,0,1]=3 670 B8R1.4 O=C1CSCC(=O)N1 MCULE-5124635458 [0,1,0,0,0,0|2,0,0]=3 671 B8R1.4 O=C1CSCC(=O)O1 MCULE-6767203470 [0,1,0,0,0,0|2,0,0]=3 672 B8R1.4 O=C1C[C@@H](CCN1)O MCULE-8279613188 [0,1,0,0,0,0|1,0,1]=3 673 B8R1.4 O=C1C[C@@H](CCN1)O MCULE-9911849866 [0,1,0,0,0,0|1,0,1]=3 674 B8R1.4 O=C1C[C@H](CCN1)O MCULE-3843806479 [0,1,0,0,0,0|1,0,1]=3 675 B8R1.4 O=C1C[C@H](CCN1)O MCULE-9127195212 [0,1,0,0,0,0|1,0,1]=3 676 B8R1.4 O=C1N=CCC(=S)N1 MCULE-8510009070 [0,1,0,0,0,0|2,0,1]=4 677 B8R1.4 O=C1NC(=S)CCS1 MCULE-5745642312 [0,1,0,0,0,0|2,0,0]=3 678 B8R1.4 O=C1NCNC(=O)N1 MCULE-7478557250 [0,1,0,0,0,0|3,0,0]=4 679 B8R1.4 O=C1[CH-]C(=O)COC1 MCULE-6235987509 [0,1,0,0,0,0|1,0,1]=3 680 B8R1.4 O=C1[CH-]C(=O)COC1 MCULE-9016019550 [0,1,0,0,0,0|1,0,1]=3 681 B8R1.4 OC1C=C(COC1)Br MCULE-4969292541 [0,1,0,0,0,0|1,0,2]=4 682 B8R1.4 S=C1CCSC(=S)N1 MCULE-9772893889 [0,1,0,0,0,0|2,1,0]=4 683 B8R1.4 [C@@H]1(CCCC(=O)N1)C MCULE-8906937588 [0,1,0,0,0,0|1,0,1]=3 684 B8R1.5 BrC1=C(CCCC1)Br MCULE-3043011492 [0,1,0,0,0,0|1,0,1]=3 685 B8R1.5 BrC1=CCCCC1Br MCULE-4680116883 [0,1,0,0,0,0|1,0,1]=3 686 B8R1.5 C=C1CCCCC1O MCULE-3853228524 [0,1,0,0,0,0|0,0,3]=4 687 B8R1.5 C=C1CCCCC1O MCULE-5911864977 [0,1,0,0,0,0|0,0,3]=4 688 B8R1.5 C=C1CCCNC1=O MCULE-1867993758 [0,1,0,0,0,0|1,0,1]=3 689 B8R1.5 C=C1COCCC1N MCULE-4966385224 [0,1,0,0,0,0|2,0,1]=4 690 B8R1.5 CC1=C(CNCC1)Br MCULE-2210558974 [0,1,0,0,0,0|2,0,1]=4 691 B8R1.5 CC1=C(CNCC1)Br MCULE-2548770953 [0,1,0,0,0,0|2,0,1]=4 692 B8R1.5 CC1=C(CNCC1)C MCULE-7715400597 [0,1,0,0,0,0|2,0,1]=4 693 B8R1.5 CC1=C(CNCC1)C MCULE-9843104075 [0,1,0,0,0,0|2,0,1]=4 694 B8R1.5 CC1=CC=CNC1=O MCULE-8735614074 [0,1,0,0,0,0|1,0,2]=4 695 B8R1.5 CC1=CC=NNC1=O MCULE-4615705346 [0,1,0,0,0,0|2,0,1]=4 696 B8R1.5 CC1=CCCCC1=O MCULE-6245248136 [0,1,0,0,0,0|0,0,0]=1 697 B8R1.5 CC1=NCCCN1C MCULE-1598225464 [0,1,0,0,0,0|3,0,0]=4 698 B8R1.5 CC1=NCCN=C1C MCULE-5569035014 [0,1,0,0,0,0|3,0,0]=4 699 B8R1.5 CC1=NCCN=C1O MCULE-8832794702 [0,1,0,0,0,0|2,0,1]=4 700 B8R1.5 CC1CCCCC1=O MCULE-6363555535 [0,1,0,0,0,0|0,0,2]=3 701 B8R1.5 CC1CCCNC1=O MCULE-5295531632 [0,1,0,0,0,0|1,0,1]=3 702 B8R1.5 CC1CCCOC1=O MCULE-5926029136 [0,1,0,0,0,0|1,0,1]=3 703 B8R1.5 CC1CCNCC1=O MCULE-8618050685 [0,1,0,0,0,0|1,0,1]=3 704 B8R1.5 CC1CCNCC1=O MCULE-9238977073 [0,1,0,0,0,0|1,0,1]=3 705 B8R1.5 CC1CCOCC1=O MCULE-2481965177 [0,1,0,0,0,0|1,0,1]=3 706 B8R1.5 CC1CNCCC1=O MCULE-6306655160 [0,1,0,0,0,0|1,0,2]=4 707 B8R1.5 CC1CNCCC1=O MCULE-9018912988 [0,1,0,0,0,0|1,0,2]=4 708 B8R1.5 CC1COCCC1=O MCULE-2694187526 [0,1,0,0,0,0|1,0,2]=4 709 B8R1.5 CC1CSCCC1=O MCULE-4565033608 [0,1,0,0,0,0|1,0,2]=4 710 B8R1.5 CC1NCCCC1=O MCULE-1303642695 [0,1,0,0,0,0|1,0,1]=3 711 B8R1.5 CC1NCCCC1=O MCULE-6618358169 [0,1,0,0,0,0|1,0,1]=3 712 B8R1.5 CC1NCCNC1=O MCULE-3078767867 [0,1,0,0,0,0|2,0,1]=4 713 B8R1.5 CC1NCCNC1=O MCULE-9884862705 [0,1,0,0,0,0|2,0,1]=4 714 B8R1.5 CC1OCCNC1=O MCULE-8812176499 [0,1,0,0,0,0|2,0,1]=4 715 B8R1.5 CC1SCCCC1=O MCULE-7641066964 [0,1,0,0,0,0|1,0,1]=3 716 B8R1.5 CC1SCCNC1=O MCULE-1825894745 [0,1,0,0,0,0|2,0,1]=4 717 B8R1.5 CN1C=CC=CC1=O MCULE-8858407794 [0,1,0,0,0,0|1,0,2]=4 718 B8R1.5 CN1C=NC=CC1=O MCULE-8061844419 [0,1,0,0,0,0|2,0,1]=4 719 B8R1.5 CN1CCCCC1=O MCULE-9619129797 [0,1,0,0,0,0|1,0,1]=3 720 B8R1.5 CN1CCCNC1=O MCULE-3141639397 [0,1,0,0,0,0|2,0,1]=4 721 B8R1.5 CN1CCCNC1=S MCULE-2262321761 [0,1,0,0,0,0|3,0,0]=4 722 B8R1.5 CN1CCNCC1=O MCULE-4783963074 [0,1,0,0,0,0|2,0,1]=4 723 B8R1.5 CN1CCNCC1=O MCULE-7251084542 [0,1,0,0,0,0|2,0,1]=4 724 B8R1.5 CN1CCNCC1=O MCULE-9201460493 [0,1,0,0,0,0|2,0,1]=4 725 B8R1.5 CN1CCNCC1=O MCULE-9789420240 [0,1,0,0,0,0|2,0,1]=4 726 B8R1.5 CN1CCOCC1=O MCULE-8864378597 [0,1,0,0,0,0|2,0,1]=4 727 B8R1.5 C[C@@H]1NCCNC1=O MCULE-1719923601 [0,1,0,0,0,0|2,0,1]=4 728 B8R1.5 C[C@@H]1NCCNC1=O MCULE-3211216058 [0,1,0,0,0,0|2,0,1]=4 729 B8R1.5 C[C@@H]1NCCNC1=O MCULE-4268624973 [0,1,0,0,0,0|2,0,1]=4 730 B8R1.5 C[C@H]1CNCCC1=O MCULE-8062269317 [0,1,0,0,0,0|1,0,2]=4 731 B8R1.5 C[C@H]1CNCCC1=O MCULE-9510433313 [0,1,0,0,0,0|1,0,2]=4 732 B8R1.5 C[C@H]1COCCC1=O MCULE-3103478095 [0,1,0,0,0,0|1,0,2]=4 733 B8R1.5 C[C@H]1NCCNC1=O MCULE-1350777729 [0,1,0,0,0,0|2,0,1]=4 734 B8R1.5 C[C@H]1NCCNC1=O MCULE-3433713206 [0,1,0,0,0,0|2,0,1]=4 735 B8R1.5 C[C@H]1NCCNC1=O MCULE-6014092524 [0,1,0,0,0,0|2,0,1]=4 736 B8R1.5 FC1=C(CCCC1)Br MCULE-1560441134 [0,1,0,0,0,0|1,0,1]=3 737 B8R1.5 NC1=CC=CNC1=O MCULE-2705834056 [0,1,0,0,0,0|1,0,2]=4 738 B8R1.5 NC1=CC=NNC1=O MCULE-8399809124 [0,1,0,0,0,0|2,0,1]=4 739 B8R1.5 NC1=CN=CNC1=O MCULE-3512580009 [0,1,0,0,0,0|2,0,1]=4 740 B8R1.5 NC1=CNC=NC1=O MCULE-8037468633 [0,1,0,0,0,0|2,0,1]=4 741 B8R1.5 NC1C=NC=NC1=O MCULE-2219620744 [0,1,0,0,0,0|2,0,1]=4 742 B8R1.5 NC1CCCCC1=O MCULE-2382898926 [0,1,0,0,0,0|0,0,2]=3 743 B8R1.5 NC1CCCCC1=O MCULE-9230455128 [0,1,0,0,0,0|0,0,2]=3 744 B8R1.5 NC1CCCNC1=O MCULE-2560564171 [0,1,0,0,0,0|1,0,1]=3 745 B8R1.5 NC1CCCNC1=O MCULE-4494449620 [0,1,0,0,0,0|1,0,1]=3 746 B8R1.5 NC1CCCNC1=O MCULE-7473475906 [0,1,0,0,0,0|1,0,1]=3 747 B8R1.5 NC1CCCNC1=O MCULE-8288645102 [0,1,0,0,0,0|1,0,1]=3 748 B8R1.5 NC1COCCC1=O MCULE-2621905094 [0,1,0,0,0,0|1,0,2]=4 749 B8R1.5 NC1COCCC1=O MCULE-5417580672 [0,1,0,0,0,0|1,0,2]=4 750 B8R1.5 NC1N=CC=NC1=O MCULE-9363193392 [0,1,0,0,0,0|2,0,1]=4 751 B8R1.5 NN1C=CC=CC1=O MCULE-6844638196 [0,1,0,0,0,0|1,0,2]=4 752 B8R1.5 NN1CCCCC1=O MCULE-3663308028 [0,1,0,0,0,0|1,0,1]=3 753 B8R1.5 NN1CCCCC1=O MCULE-9929233745 [0,1,0,0,0,0|1,0,1]=3 754 B8R1.5 NN1CCCNC1=O MCULE-1690172508 [0,1,0,0,0,0|2,0,1]=4 755 B8R1.5 NN1CCCOC1=O MCULE-6942418314 [0,1,0,0,0,0|2,0,1]=4 756 B8R1.5 N[C@@H]1CCCNC1=O MCULE-2058435105 [0,1,0,0,0,0|1,0,1]=3 757 B8R1.5 N[C@@H]1CCCNC1=O MCULE-2444659445 [0,1,0,0,0,0|1,0,1]=3 758 B8R1.5 N[C@@H]1CCCNC1=O MCULE-3005560472 [0,1,0,0,0,0|1,0,1]=3 759 B8R1.5 N[C@@H]1CCCNC1=O MCULE-6935410876 [0,1,0,0,0,0|1,0,1]=3 760 B8R1.5 N[C@H]1CCCNC1=O MCULE-1247931890 [0,1,0,0,0,0|1,0,1]=3 761 B8R1.5 N[C@H]1CCCNC1=O MCULE-2425510086 [0,1,0,0,0,0|1,0,1]=3 762 B8R1.5 N[C@H]1CCCNC1=O MCULE-6121950966 [0,1,0,0,0,0|1,0,1]=3 763 B8R1.5 N[C@H]1CCCNC1=O MCULE-7701042199 [0,1,0,0,0,0|1,0,1]=3 764 B8R1.5 O=C1C=CC=CN1O MCULE-1310193547 [0,1,0,0,0,0|1,0,2]=4 765 B8R1.5 O=C1C=COC=C1O MCULE-7801160559 [0,1,0,0,0,0|1,0,2]=4 766 B8R1.5 O=C1CCCC=C1Br MCULE-3661382076 [0,1,0,0,0,0|0,0,0]=1 767 B8R1.5 O=C1CCCC=C1I MCULE-5006563152 [0,1,0,0,0,0|0,0,0]=1 768 B8R1.5 O=C1CCCCC1=O MCULE-5770827130 [0,1,0,0,0,0|0,0,1]=2 769 B8R1.5 O=C1CCCCC1Br MCULE-9356057483 [0,1,0,0,0,0|0,0,2]=3 770 B8R1.5 O=C1CCCCC1Cl MCULE-1580566298 [0,1,0,0,0,0|0,0,2]=3 771 B8R1.5 O=C1CCCCC1F MCULE-6406930837 [0,1,0,0,0,0|0,0,2]=3 772 B8R1.5 O=C1CCCCC1O MCULE-7509366699 [0,1,0,0,0,0|0,0,2]=3 773 B8R1.5 O=C1CCCNC1=O MCULE-3369124759 [0,1,0,0,0,0|1,0,0]=2 774 B8R1.5 O=C1CCNCC1Br MCULE-1607524353 [0,1,0,0,0,0|1,0,2]=4 775 B8R1.5 O=C1CCNCC1Br MCULE-2623420651 [0,1,0,0,0,0|1,0,2]=4 776 B8R1.5 O=C1CCNCC1Br MCULE-9921456309 [0,1,0,0,0,0|1,0,2]=4 777 B8R1.5 O=C1CCNCC1F MCULE-4156323292 [0,1,0,0,0,0|1,0,2]=4 778 B8R1.5 O=C1CCNCC1F MCULE-5488977269 [0,1,0,0,0,0|1,0,2]=4 779 B8R1.5 O=C1CCNC[C@@H]1F MCULE-1703177711 [0,1,0,0,0,0|1,0,2]=4 780 B8R1.5 O=C1CCNC[C@@H]1F MCULE-2722101377 [0,1,0,0,0,0|1,0,2]=4 781 B8R1.5 O=C1CCNC[C@@H]1F MCULE-3843083136 [0,1,0,0,0,0|1,0,2]=4 782 B8R1.5 O=C1CCNC[C@@H]1F MCULE-8423259867 [0,1,0,0,0,0|1,0,2]=4 783 B8R1.5 O=C1CCNC[C@H]1F MCULE-4893691455 [0,1,0,0,0,0|1,0,2]=4 784 B8R1.5 O=C1CCNC[C@H]1F MCULE-7014608979 [0,1,0,0,0,0|1,0,2]=4 785 B8R1.5 O=C1CCOCC1Br MCULE-1103002154 [0,1,0,0,0,0|1,0,2]=4 786 B8R1.5 O=C1CCOCC1Cl MCULE-6926183930 [0,1,0,0,0,0|1,0,2]=4 787 B8R1.5 O=C1CCOCC1F MCULE-8590362767 [0,1,0,0,0,0|1,0,2]=4 788 B8R1.5 O=C1CCOCC1O MCULE-7032874317 [0,1,0,0,0,0|1,0,2]=4 789 B8R1.5 O=C1CCOC[C@@H]1Br MCULE-8729201111 [0,1,0,0,0,0|1,0,2]=4 790 B8R1.5 O=C1CCOC[C@@H]1F MCULE-3075219245 [0,1,0,0,0,0|1,0,2]=4 791 B8R1.5 O=C1N=CNC=C1O MCULE-7853986404 [0,1,0,0,0,0|2,0,1]=4 792 B8R1.5 O=C1NC=NC=C1Br MCULE-1914932585 [0,1,0,0,0,0|2,0,1]=4 793 B8R1.5 O=C1NC=NC=C1Br MCULE-4797439815 [0,1,0,0,0,0|2,0,1]=4 794 B8R1.5 O=C1NC=NC=C1Br MCULE-8279175534 [0,1,0,0,0,0|2,0,1]=4 795 B8R1.5 O=C1NC=NC=C1O MCULE-6640057101 [0,1,0,0,0,0|2,0,1]=4 796 B8R1.5 O=C1NCCC=C1Br MCULE-7421402456 [0,1,0,0,0,0|1,0,0]=2 797 B8R1.5 O=C1NCCC=C1Cl MCULE-9026882449 [0,1,0,0,0,0|1,0,0]=2 798 B8R1.5 O=C1NCCCC1Br MCULE-1860833784 [0,1,0,0,0,0|1,0,1]=3 799 B8R1.5 O=C1NCCCC1O MCULE-4922755542 [0,1,0,0,0,0|1,0,1]=3 800 B8R1.5 O=C1NCCC[C@@H]1O MCULE-2813817931 [0,1,0,0,0,0|1,0,1]=3 801 B8R1.5 O=C1NCCC[C@@H]1O MCULE-3354550946 [0,1,0,0,0,0|1,0,1]=3 802 B8R1.5 O=C1NCCC[C@H]1O MCULE-2892218765 [0,1,0,0,0,0|1,0,1]=3 803 B8R1.5 O=C1NCCC[C@H]1O MCULE-8394704933 [0,1,0,0,0,0|1,0,1]=3 804 B8R1.5 O=C1NCCNC1=O MCULE-5492631108 [0,1,0,0,0,0|2,0,0]=3 805 B8R1.5 O=C1NCCOC1=O MCULE-5092732656 [0,1,0,0,0,0|2,0,0]=3 806 B8R1.5 O=C1NN=CC=C1Br MCULE-3017952463 [0,1,0,0,0,0|2,0,1]=4 807 B8R1.5 O=C1NN=CC=C1Br MCULE-7863801387 [0,1,0,0,0,0|2,0,1]=4 808 B8R1.5 O=C1OC=CC=C1Br MCULE-5287176026 [0,1,0,0,0,0|1,0,2]=4 809 B8R1.5 O=C1OC=CC=C1O MCULE-9890470217 [0,1,0,0,0,0|1,0,2]=4 810 B8R1.5 O=C1OCCC=C1Br MCULE-6619697801 [0,1,0,0,0,0|1,0,0]=2 811 B8R1.5 O=C1OCCCC1Br MCULE-4407787541 [0,1,0,0,0,0|1,0,1]=3 812 B8R1.5 O=C1OCCCC1O MCULE-3021418071 [0,1,0,0,0,0|1,0,1]=3 813 B8R1.5 OC1CCCC=C1Br MCULE-1040444564 [0,1,0,0,0,0|0,0,2]=3 814 B8R1.5 O[C@@H]1CCCC=C1Br MCULE-9847748740 [0,1,0,0,0,0|0,0,2]=3 815 B8R1.72 N=S1(=O)CCCCC1 MCULE-8920208485 [0,1,0,0,0,0|1,0,2]=4 816 B8R1.72 O=S1(=O)C=CCCC1 MCULE-1954116946 [0,1,0,0,0,0|1,0,0]=2 817 B8R1.72 O=S1(=O)CCCCN1 MCULE-6296400181 [0,1,0,0,0,0|2,0,1]=4 818 B8R1.72 O=S1(=O)CCCCO1 MCULE-8722166220 [0,1,0,0,0,0|2,0,1]=4 819 B6R0.1 C#CC(=O)CCC MCULE-8990254228 [0,0,1,0,0,0|0,0,2]=3 820 B6R0.1 C#CC(=O)NCC MCULE-3703208943 [0,0,1,0,0,0|1,0,2]=4 821 B6R0.1 C#CC(=O)OCC MCULE-3783424133 [0,0,1,0,0,0|1,0,2]=4 822 B6R0.1 C(=C/C(=O)CC)\C MCULE-9250312874 [0,0,1,0,0,0|0,0,0]=1 823 B6R0.1 C/C=C/C(=O)OC MCULE-8935178488 [0,0,1,0,0,0|1,0,0]=2 824 B6R0.1 C=C=CC(=O)OC MCULE-7885631451 [0,0,1,0,0,0|1,0,2]=4 825 B6R0.1 C=CC(=O)CCC MCULE-9373104880 [0,0,1,0,0,0|0,0,0]=1 826 B6R0.1 C=CC(=O)COC MCULE-1933195578 [0,0,1,0,0,0|1,0,0]=2 827 B6R0.1 C=CC(=O)NCC MCULE-3515057147 [0,0,1,0,0,0|1,0,0]=2 828 B6R0.1 C=CC(=O)NCO MCULE-3627112877 [0,0,1,0,0,0|2,0,0]=3 829 B6R0.1 C=CC(=O)OCC MCULE-9281713240 [0,0,1,0,0,0|1,0,0]=2 830 B6R0.1 C=CC(C)CCC MCULE-2692803387 [0,0,1,0,0,0|1,0,1]=3 831 B6R0.1 C=CC(C)CCO MCULE-2890369298 [0,0,1,0,0,0|2,0,1]=4 832 B6R0.1 C=CC(N)CCO MCULE-7781906138 [0,0,1,0,0,0|2,0,1]=4 833 B6R0.1 C=CC(N)COC MCULE-3217346081 [0,0,1,0,0,0|2,0,1]=4 834 B6R0.1 C=CC(O)CCC MCULE-3664453040 [0,0,1,0,0,0|0,0,2]=3 835 B6R0.1 C=CC(O)CCN MCULE-9346205308 [0,0,1,0,0,0|1,0,2]=4 836 B6R0.1 C=CCC(=O)CN MCULE-3960819679 [0,0,1,0,0,0|1,0,2]=4 837 B6R0.1 C=CCC(=O)CN MCULE-8089375331 [0,0,1,0,0,0|1,0,2]=4 838 B6R0.1 C=CCC(=O)NC MCULE-4823208577 [0,0,1,0,0,0|1,0,2]=4 839 B6R0.1 C=CCC(=O)OC MCULE-5546680906 [0,0,1,0,0,0|1,0,2]=4 840 B6R0.1 C=COC(=O)CC MCULE-7662621547 [0,0,1,0,0,0|1,0,1]=3 841 B6R0.1 C=COC(=O)CCl MCULE-7675766105 [0,0,1,0,0,0|2,0,1]=4 842 B6R0.1 CC#CC(=O)OC MCULE-6108678475 [0,0,1,0,0,0|1,0,2]=4 843 B6R0.1 CC/C(=C\C#N)/[O-] MCULE-6169735980 [0,0,1,0,0,0|1,0,2]=4 844 B6R0.1 CC/C(=C\C#N)/[O-] MCULE-7276617737 [0,0,1,0,0,0|1,0,2]=4 845 B6R0.1 CC/C=C(\C)/C=O MCULE-6692882718 [0,0,1,0,0,0|2,0,1]=4 846 B6R0.1 CC=CC(=O)CC MCULE-5948495959 [0,0,1,0,0,0|0,0,0]=1 847 B6R0.1 CC=CC(=O)OC MCULE-1093700917 [0,0,1,0,0,0|1,0,0]=2 848 B6R0.1 CC=C[C@@H](N)CO MCULE-4690559736 [0,0,1,0,0,0|2,0,1]=4 849 B6R0.1 CC=C[C@@H](N)CO MCULE-5852475953 [0,0,1,0,0,0|2,0,1]=4 850 B6R0.1 CC=C[C@H](N)CO MCULE-6168992245 [0,0,1,0,0,0|2,0,1]=4 851 B6R0.1 CC=C[C@H](N)CO MCULE-6971252398 [0,0,1,0,0,0|2,0,1]=4 852 B6R0.1 CCC(=CCO)C MCULE-5264054153 [0,0,1,0,0,0|2,0,1]=4 853 B6R0.1 CCC(=O)CC#N MCULE-6150629588 [0,0,1,0,0,0|1,0,2]=4 854 B6R0.1 CCC(=O)CNC MCULE-3030105640 [0,0,1,0,0,0|1,0,1]=3 855 B6R0.1 CCC(=O)CNC MCULE-6945295017 [0,0,1,0,0,0|1,0,1]=3 856 B6R0.1 CCC(=O)COC MCULE-1087802011 [0,0,1,0,0,0|1,0,1]=3 857 B6R0.1 CCC(=O)CSC MCULE-3230433182 [0,0,1,0,0,0|1,0,1]=3 858 B6R0.1 CCC(=O)NOC MCULE-4440074406 [0,0,1,0,0,0|2,0,0]=3 859 B6R0.1 CCC(=O)OCCl MCULE-6975707373 [0,0,1,0,0,0|2,0,1]=4 860 B6R0.1 CCC/C(=N/O)/N MCULE-1101103373 [0,0,1,0,0,0|3,0,0]=4 861 B6R0.1 CCC/C(=N/O)/N MCULE-2970638438 [0,0,1,0,0,0|3,0,0]=4 862 B6R0.1 CCC=C(C)C=O MCULE-1636090264 [0,0,1,0,0,0|2,0,1]=4 863 B6R0.1 CCCC(=NO)C MCULE-6437787263 [0,0,1,0,0,0|3,0,0]=4 864 B6R0.1 CCCC(=O)CBr MCULE-6276592955 [0,0,1,0,0,0|1,0,1]=3 865 B6R0.1 CCCC(=O)CC MCULE-7121523805 [0,0,1,0,0,0|0,0,2]=3 866 B6R0.1 CCCC(=O)CCl MCULE-3021809695 [0,0,1,0,0,0|1,0,1]=3 867 B6R0.1 CCCC(=O)CN MCULE-4663263123 [0,0,1,0,0,0|1,0,1]=3 868 B6R0.1 CCCC(=O)CN MCULE-6326368932 [0,0,1,0,0,0|1,0,1]=3 869 B6R0.1 CCCC(=O)CO MCULE-6518249412 [0,0,1,0,0,0|1,0,1]=3 870 B6R0.1 CCCC(=O)NC MCULE-5770149071 [0,0,1,0,0,0|1,0,1]=3 871 B6R0.1 CCCC(=O)NN MCULE-3660167295 [0,0,1,0,0,0|2,0,0]=3 872 B6R0.1 CCCC(=O)NO MCULE-8710375368 [0,0,1,0,0,0|2,0,0]=3 873 B6R0.1 CCCC(=O)OC MCULE-1092030267 [0,0,1,0,0,0|1,0,1]=3 874 B6R0.1 CCCC(=O)SC MCULE-1490654381 [0,0,1,0,0,0|1,0,1]=3 875 B6R0.1 CCCC(=S)OC MCULE-8125476093 [0,0,1,0,0,0|1,1,1]=4 876 B6R0.1 CCCC(C)C=O MCULE-9756444218 [0,0,1,0,0,0|2,0,1]=4 877 B6R0.1 CCNC(=O)CBr MCULE-5393521747 [0,0,1,0,0,0|2,0,1]=4 878 B6R0.1 CCNC(=O)CC MCULE-8820594723 [0,0,1,0,0,0|1,0,1]=3 879 B6R0.1 CCNC(=O)CCl MCULE-7288703153 [0,0,1,0,0,0|2,0,1]=4 880 B6R0.1 CCNC(=O)CN MCULE-1913543460 [0,0,1,0,0,0|2,0,1]=4 881 B6R0.1 CCNC(=O)CN MCULE-5473845751 [0,0,1,0,0,0|2,0,1]=4 882 B6R0.1 CCNC(=O)CO MCULE-1386307800 [0,0,1,0,0,0|2,0,1]=4 883 B6R0.1 CCNC(=O)NC MCULE-7197803115 [0,0,1,0,0,0|2,0,1]=4 884 B6R0.1 CCNC(=O)NN MCULE-9055200574 [0,0,1,0,0,0|3,0,0]=4 885 B6R0.1 CCNC(=O)NO MCULE-3264850022 [0,0,1,0,0,0|3,0,0]=4 886 B6R0.1 CCNC(=O)OC MCULE-7110705188 [0,0,1,0,0,0|2,0,1]=4 887 B6R0.1 CCOC(=N)CC MCULE-4645506860 [0,0,1,0,0,0|2,0,1]=4 888 B6R0.1 CCOC(=N)CC MCULE-9526837631 [0,0,1,0,0,0|2,0,1]=4 889 B6R0.1 CCOC(=O)C#N MCULE-4506452376 [0,0,1,0,0,0|2,0,1]=4 890 B6R0.1 CCOC(=O)C=O MCULE-3433596669 [0,0,1,0,0,0|2,0,0]=3 891 B6R0.1 CCOC(=O)CBr MCULE-1369687761 [0,0,1,0,0,0|2,0,1]=4 892 B6R0.1 CCOC(=O)CC MCULE-1639864693 [0,0,1,0,0,0|1,0,1]=3 893 B6R0.1 CCOC(=O)CCl MCULE-2200524105 [0,0,1,0,0,0|2,0,1]=4 894 B6R0.1 CCOC(=O)CF MCULE-1926097423 [0,0,1,0,0,0|2,0,1]=4 895 B6R0.1 CCOC(=O)CI MCULE-9898762324 [0,0,1,0,0,0|2,0,1]=4 896 B6R0.1 CCOC(=O)CN MCULE-2185173056 [0,0,1,0,0,0|2,0,1]=4 897 B6R0.1 CCOC(=O)CN MCULE-2628607025 [0,0,1,0,0,0|2,0,1]=4 898 B6R0.1 CCOC(=O)CO MCULE-8121340151 [0,0,1,0,0,0|2,0,1]=4 899 B6R0.1 CCOC(=O)CS MCULE-3354026239 [0,0,1,0,0,0|2,0,1]=4 900 B6R0.1 CCOC(=O)NC MCULE-5506841198 [0,0,1,0,0,0|2,0,1]=4 901 B6R0.1 CCOC(=O)NN MCULE-9872948119 [0,0,1,0,0,0|3,0,0]=4 902 B6R0.1 CCOC(=O)NO MCULE-4701193610 [0,0,1,0,0,0|3,0,0]=4 903 B6R0.1 CCOC(=O)OC MCULE-1185162684 [0,0,1,0,0,0|2,0,1]=4 904 B6R0.1 CCOS(=O)CC MCULE-4858180441 [0,0,1,0,0,0|2,0,1]=4 905 B6R0.1 CCSC(=O)CC MCULE-6361738004 [0,0,1,0,0,0|1,0,1]=3 906 B6R0.1 CNC(=O)CCBr MCULE-9239224841 [0,0,1,0,0,0|2,0,1]=4 907 B6R0.1 CNC(=O)CCCl MCULE-7130866366 [0,0,1,0,0,0|2,0,1]=4 908 B6R0.1 CNC(=O)CCN MCULE-1374127264 [0,0,1,0,0,0|2,0,1]=4 909 B6R0.1 CNC(=O)CCN MCULE-3948893656 [0,0,1,0,0,0|2,0,1]=4 910 B6R0.1 CNC(=O)CCO MCULE-3222339741 [0,0,1,0,0,0|2,0,1]=4 911 B6R0.1 CNC(=O)CCS MCULE-2385806944 [0,0,1,0,0,0|2,0,1]=4 912 B6R0.1 CNCC(=O)NC MCULE-4579550577 [0,0,1,0,0,0|2,0,1]=4 913 B6R0.1 CNCC(=O)NC MCULE-7833395637 [0,0,1,0,0,0|2,0,1]=4 914 B6R0.1 CNCC(=O)NN MCULE-8639164023 [0,0,1,0,0,0|3,0,0]=4 915 B6R0.1 CNCC(=O)OC MCULE-1667683926 [0,0,1,0,0,0|2,0,1]=4 916 B6R0.1 CNCC(=O)OC MCULE-5530863658 [0,0,1,0,0,0|2,0,1]=4 917 B6R0.1 CNNC(=O)OC MCULE-4763095719 [0,0,1,0,0,0|3,0,0]=4 918 B6R0.1 COC(=O)/C=C/Br MCULE-8282646495 [0,0,1,0,0,0|2,0,0]=3 919 B6R0.1 COC(=O)/C=C/I MCULE-2652779390 [0,0,1,0,0,0|2,0,0]=3 920 B6R0.1 COC(=O)/C=C\Br MCULE-8147758029 [0,0,1,0,0,0|2,0,0]=3 921 B6R0.1 COC(=O)/C=C\I MCULE-9091408550 [0,0,1,0,0,0|2,0,0]=3 922 B6R0.1 COC(=O)C=CBr MCULE-6878439912 [0,0,1,0,0,0|2,0,0]=3 923 B6R0.1 COC(=O)C=CCl MCULE-6895925134 [0,0,1,0,0,0|2,0,0]=3 924 B6R0.1 COC(=O)C=CI MCULE-1616048599 [0,0,1,0,0,0|2,0,0]=3 925 B6R0.1 COC(=O)C=CN MCULE-4685220707 [0,0,1,0,0,0|2,0,0]=3 926 B6R0.1 COC(=O)CC=O MCULE-6624474559 [0,0,1,0,0,0|2,0,1]=4 927 B6R0.1 COC(=O)CCBr MCULE-3565567444 [0,0,1,0,0,0|2,0,1]=4 928 B6R0.1 COC(=O)CCCl MCULE-5034007224 [0,0,1,0,0,0|2,0,1]=4 929 B6R0.1 COC(=O)CCI MCULE-5984806612 [0,0,1,0,0,0|2,0,1]=4 930 B6R0.1 COC(=O)CCN MCULE-2306060188 [0,0,1,0,0,0|2,0,1]=4 931 B6R0.1 COC(=O)CCN MCULE-8245275833 [0,0,1,0,0,0|2,0,1]=4 932 B6R0.1 COC(=O)CCO MCULE-8538834260 [0,0,1,0,0,0|2,0,1]=4 933 B6R0.1 COC(=O)CCS MCULE-1695345183 [0,0,1,0,0,0|2,0,1]=4 934 B6R0.1 COC(=O)CSC MCULE-6735536033 [0,0,1,0,0,0|2,0,1]=4 935 B6R0.1 COC(=O)NC=O MCULE-9852632340 [0,0,1,0,0,0|3,0,0]=4 936 B6R0.1 COCC(=O)CCl MCULE-7542636020 [0,0,1,0,0,0|2,0,1]=4 937 B6R0.1 COCC(=O)NN MCULE-4127487886 [0,0,1,0,0,0|3,0,0]=4 938 B6R0.1 COCC(=O)OC MCULE-8337685268 [0,0,1,0,0,0|2,0,1]=4 939 B6R0.1 CONC(=O)OC MCULE-9304532248 [0,0,1,0,0,0|3,0,0]=4 940 B6R0.1 CSCC(=O)NN MCULE-8151954663 [0,0,1,0,0,0|3,0,0]=4 941 B6R0.1 NCCC(=O)CN MCULE-3906468943 [0,0,1,0,0,0|2,0,1]=4 942 B6R0.1 NCCC(=O)CN MCULE-9593243702 [0,0,1,0,0,0|2,0,1]=4 943 B6R0.1 NNC(=O)CCO MCULE-6184351353 [0,0,1,0,0,0|3,0,0]=4 944 B6R0.1 NNC(=O)CCS MCULE-9322963076 [0,0,1,0,0,0|3,0,0]=4 945 B6R0.1 O=C(C=CCl)CCl MCULE-6121304267 [0,0,1,0,0,0|2,0,0]=3 946 B6R0.1 O=C(CCCl)NO MCULE-5569658108 [0,0,1,0,0,0|3,0,0]=4 947 B6R0.1 O=C(CCl)CCCl MCULE-6460902474 [0,0,1,0,0,0|2,0,1]=4 948 B6R0.4 C#CCCC(=O)C MCULE-8723638688 [0,0,1,0,0,0|0,0,3]=4 949 B6R0.4 C#CCCC(=O)Cl MCULE-5720262741 [0,0,1,0,0,0|1,0,2]=4 950 B6R0.4 C#CCCC(=O)N MCULE-4490482235 [0,0,1,0,0,0|1,0,2]=4 951 B6R0.4 C#CCCC(=O)O MCULE-6669146060 [0,0,1,0,0,0|1,0,2]=4 952 B6R0.4 C#CCCC(=O)[O-] MCULE-2972869840 [0,0,1,0,0,0|1,0,2]=4 953 B6R0.4 C/C=C/CC(=O)Cl MCULE-5377125313 [0,0,1,0,0,0|1,0,2]=4 954 B6R0.4 C/C=C/CC(=O)N MCULE-1942934157 [0,0,1,0,0,0|1,0,2]=4 955 B6R0.4 C/C=C/CC(=O)O MCULE-4626577048 [0,0,1,0,0,0|1,0,2]=4 956 B6R0.4 C=C(C)CCC#N MCULE-9953519474 [0,0,1,0,0,0|2,0,1]=4 957 B6R0.4 C=C(C)CCCBr MCULE-5063918467 [0,0,1,0,0,0|2,0,0]=3 958 B6R0.4 C=C(C)CCCC MCULE-1010177756 [0,0,1,0,0,0|1,0,1]=3 959 B6R0.4 C=C(C)CCCO MCULE-4629274490 [0,0,1,0,0,0|2,0,0]=3 960 B6R0.4 C=C(C)CNCC MCULE-2237759977 [0,0,1,0,0,0|2,0,1]=4 961 B6R0.4 C=C(Cl)CCCCl MCULE-5713882356 [0,0,1,0,0,0|2,0,0]=3 962 B6R0.4 C=C(F)CCCO MCULE-1688645687 [0,0,1,0,0,0|2,0,0]=3 963 B6R0.4 C=C/C=C/C(=O)O MCULE-7975593411 [0,0,1,0,0,0|1,0,2]=4 964 B6R0.4 C=C=CCC(=O)O MCULE-2611659307 [0,0,1,0,0,0|1,0,2]=4 965 B6R0.4 C=CC=CC(=O)Cl MCULE-6383997047 [0,0,1,0,0,0|1,0,2]=4 966 B6R0.4 C=CC=CC(=O)O MCULE-5189540617 [0,0,1,0,0,0|1,0,2]=4 967 B6R0.4 C=CCCC(=C)C MCULE-2323382963 [0,0,1,0,0,0|1,0,1]=3 968 B6R0.4 C=CCCC(=N)N MCULE-6900789687 [0,0,1,0,0,0|2,0,1]=4 969 B6R0.4 C=CCCC(=N)N MCULE-8560021860 [0,0,1,0,0,0|2,0,1]=4 970 B6R0.4 C=CCCC(=O)C MCULE-9598399930 [0,0,1,0,0,0|0,0,2]=3 971 B6R0.4 C=CCCC(=O)Cl MCULE-7378353157 [0,0,1,0,0,0|1,0,1]=3 972 B6R0.4 C=CCCC(=O)N MCULE-7202462484 [0,0,1,0,0,0|1,0,1]=3 973 B6R0.4 C=CCCC(=O)O MCULE-6221951425 [0,0,1,0,0,0|1,0,1]=3 974 B6R0.4 C=CCCN(=O)=O MCULE-9645435231 [0,0,1,0,0,0|2,0,1]=4 975 B6R0.4 C=CCNC(=O)C MCULE-7903624915 [0,0,1,0,0,0|1,0,2]=4 976 B6R0.4 C=CCNC(=O)N MCULE-1210131291 [0,0,1,0,0,0|2,0,1]=4 977 B6R0.4 C=CCOC(=O)C MCULE-9991130828 [0,0,1,0,0,0|1,0,2]=4 978 B6R0.4 C=CCOC(=O)Cl MCULE-3513251417 [0,0,1,0,0,0|2,0,1]=4 979 B6R0.4 C=CCOC(=O)N MCULE-4119124558 [0,0,1,0,0,0|2,0,1]=4 980 B6R0.4 C=CNCC(=O)O MCULE-5142273921 [0,0,1,0,0,0|2,0,1]=4 981 B6R0.4 CC(=CCCBr)C MCULE-9403575147 [0,0,1,0,0,0|2,0,1]=4 982 B6R0.4 CC(=CCCN)C MCULE-9185531904 [0,0,1,0,0,0|2,0,1]=4 983 B6R0.4 CC(=CCCO)C MCULE-2493404466 [0,0,1,0,0,0|2,0,1]=4 984 B6R0.4 CC(=CCCO)C MCULE-8497528596 [0,0,1,0,0,0|2,0,1]=4 985 B6R0.4 CC(=O)CCC#N MCULE-6810756363 [0,0,1,0,0,0|1,0,2]=4 986 B6R0.4 CC(=O)CCC=O MCULE-4767690464 [0,0,1,0,0,0|1,0,2]=4 987 B6R0.4 CC(=O)CCCBr MCULE-7143092097 [0,0,1,0,0,0|1,0,1]=3 988 B6R0.4 CC(=O)CCCCl MCULE-7158553745 [0,0,1,0,0,0|1,0,1]=3 989 B6R0.4 CC(=O)CCCO MCULE-1335342150 [0,0,1,0,0,0|1,0,1]=3 990 B6R0.4 CC(=O)NCCCl MCULE-7865062188 [0,0,1,0,0,0|2,0,1]=4 991 B6R0.4 CC(=O)NCCN MCULE-2230084818 [0,0,1,0,0,0|2,0,1]=4 992 B6R0.4 CC(=O)NCCO MCULE-5968518415 [0,0,1,0,0,0|2,0,1]=4 993 B6R0.4 CC(=O)NCCS MCULE-3345813615 [0,0,1,0,0,0|2,0,1]=4 994 B6R0.4 CC(=O)OCCBr MCULE-3760449773 [0,0,1,0,0,0|2,0,1]=4 995 B6R0.4 CC(=O)OCCCl MCULE-4570139017 [0,0,1,0,0,0|2,0,1]=4 996 B6R0.4 CC(=O)OCCN MCULE-4530529900 [0,0,1,0,0,0|2,0,1]=4 997 B6R0.4 CC(=O)OCCN MCULE-6854340494 [0,0,1,0,0,0|2,0,1]=4 998 B6R0.4 CC(=O)OCCO MCULE-1251660436 [0,0,1,0,0,0|2,0,1]=4 999 B6R0.4 CC(=O)SCCBr MCULE-1786480878 [0,0,1,0,0,0|2,0,1]=4 1000 B6R0.4 CC(=O)SCCN MCULE-3819903256 [0,0,1,0,0,0|2,0,1]=4 1001 B6R0.4 CC(=O)SCCN MCULE-4872130470 [0,0,1,0,0,0|2,0,1]=4 1002 B6R0.4 CC(=O)SCCN MCULE-7084821345 [0,0,1,0,0,0|2,0,1]=4 1003 B6R0.4 CC(C)C=CCBr MCULE-9812152361 [0,0,1,0,0,0|2,0,1]=4 1004 B6R0.4 CC/C=C/C(=N)N MCULE-7871697378 [0,0,1,0,0,0|2,0,0]=3 1005 B6R0.4 CC/C=C/C(=N)N MCULE-9276291098 [0,0,1,0,0,0|2,0,0]=3 1006 B6R0.4 CC/C=C/C(=O)Cl MCULE-8929214872 [0,0,1,0,0,0|1,0,0]=2 1007 B6R0.4 CC/C=C/C(=O)O MCULE-4888215476 [0,0,1,0,0,0|1,0,0]=2 1008 B6R0.4 CC=CCC(=O)O MCULE-9174714653 [0,0,1,0,0,0|1,0,2]=4 1009 B6R0.4 CCC#CC(=O)C MCULE-7788224704 [0,0,1,0,0,0|0,0,2]=3 1010 B6R0.4 CCC#CC(=O)O MCULE-1053283381 [0,0,1,0,0,0|1,0,2]=4 1011 B6R0.4 CCC=CB(O)O MCULE-6166989227 [0,0,1,0,0,0|2,0,1]=4 1012 B6R0.4 CCC=CC(=O)C MCULE-2986269826 [0,0,1,0,0,0|0,0,0]=1 1013 B6R0.4 CCC=CC(=O)Cl MCULE-5159865849 [0,0,1,0,0,0|1,0,0]=2 1014 B6R0.4 CCC=CC(=O)O MCULE-3920494238 [0,0,1,0,0,0|1,0,0]=2 1015 B6R0.4 CCCC=C(C)C MCULE-2110588796 [0,0,1,0,0,0|1,0,1]=3 1016 B6R0.4 CCCCC(=N)N MCULE-3271993509 [0,0,1,0,0,0|2,0,1]=4 1017 B6R0.4 CCCCC(=N)N MCULE-3935017760 [0,0,1,0,0,0|2,0,1]=4 1018 B6R0.4 CCCCC(=O)Br MCULE-2980405081 [0,0,1,0,0,0|1,0,1]=3 1019 B6R0.4 CCCCC(=O)C MCULE-3554390184 [0,0,1,0,0,0|0,0,2]=3 1020 B6R0.4 CCCCC(=O)Cl MCULE-3875407102 [0,0,1,0,0,0|1,0,1]=3 1021 B6R0.4 CCCCC(=O)N MCULE-6419483436 [0,0,1,0,0,0|1,0,1]=3 1022 B6R0.4 CCCCC(=O)O MCULE-2333640078 [0,0,1,0,0,0|1,0,1]=3 1023 B6R0.4 CCCCC(=O)[O-] MCULE-4817107962 [0,0,1,0,0,0|1,0,1]=3 1024 B6R0.4 CCCCC(=S)N MCULE-8236760762 [0,0,1,0,0,0|1,1,1]=4 1025 B6R0.4 CCCCN(=O)=O MCULE-7679767771 [0,0,1,0,0,0|2,0,1]=4 1026 B6R0.4 CCCCS(=O)[O-] MCULE-4347348762 [0,0,1,0,0,0|2,0,1]=4 1027 B6R0.4 CCCCS(=O)[O-] MCULE-8153578421 [0,0,1,0,0,0|2,0,1]=4 1028 B6R0.4 CCCNC(=O)C MCULE-5899703886 [0,0,1,0,0,0|1,0,1]=3 1029 B6R0.4 CCCNC(=O)Cl MCULE-2937184966 [0,0,1,0,0,0|2,0,1]=4 1030 B6R0.4 CCCNC(=O)N MCULE-8528844765 [0,0,1,0,0,0|2,0,1]=4 1031 B6R0.4 CCCOC(=O)C MCULE-7327042566 [0,0,1,0,0,0|1,0,1]=3 1032 B6R0.4 CCCOC(=O)Cl MCULE-1312686139 [0,0,1,0,0,0|2,0,1]=4 1033 B6R0.4 CCCOC(=O)N MCULE-2760622567 [0,0,1,0,0,0|2,0,1]=4 1034 B6R0.4 CCCSC(=O)C MCULE-4329646671 [0,0,1,0,0,0|1,0,1]=3 1035 B6R0.4 CCCSC(=O)Cl MCULE-5971141999 [0,0,1,0,0,0|2,0,1]=4 1036 B6R0.4 CCN=CC(C)C MCULE-7306741362 [0,0,1,0,0,0|2,0,1]=4 1037 B6R0.4 CCNCC(=O)C MCULE-5799315547 [0,0,1,0,0,0|1,0,1]=3 1038 B6R0.4 CCNCC(=O)C MCULE-9258294157 [0,0,1,0,0,0|1,0,1]=3 1039 B6R0.4 CCNCC(=O)N MCULE-1787248899 [0,0,1,0,0,0|2,0,1]=4 1040 B6R0.4 CCNCC(=O)N MCULE-3821700273 [0,0,1,0,0,0|2,0,1]=4 1041 B6R0.4 CCNCC(=O)O MCULE-5989480216 [0,0,1,0,0,0|2,0,1]=4 1042 B6R0.4 CCNCC(=O)O MCULE-8087863397 [0,0,1,0,0,0|2,0,1]=4 1043 B6R0.4 CCOCC(=O)C MCULE-2825677443 [0,0,1,0,0,0|1,0,1]=3 1044 B6R0.4 CCOCC(=O)Cl MCULE-2172268229 [0,0,1,0,0,0|2,0,1]=4 1045 B6R0.4 CCOCC(=O)O MCULE-1726530898 [0,0,1,0,0,0|2,0,1]=4 1046 B6R0.4 CCSCC(=O)C MCULE-9872082780 [0,0,1,0,0,0|1,0,1]=3 1047 B6R0.4 CCSCC(=O)O MCULE-7471335718 [0,0,1,0,0,0|2,0,1]=4 1048 B6R0.4 CNCCC(=O)N MCULE-1118876220 [0,0,1,0,0,0|2,0,1]=4 1049 B6R0.4 CNCCC(=O)N MCULE-6679713144 [0,0,1,0,0,0|2,0,1]=4 1050 B6R0.4 CNCCC(=O)O MCULE-3627988097 [0,0,1,0,0,0|2,0,1]=4 1051 B6R0.4 CNCCC(=O)O MCULE-9858204248 [0,0,1,0,0,0|2,0,1]=4 1052 B6R0.4 CO/C=C/C(=O)C MCULE-1215649803 [0,0,1,0,0,0|1,0,0]=2 1053 B6R0.4 CO/C=C/C(=O)O MCULE-3681049176 [0,0,1,0,0,0|2,0,0]=3 1054 B6R0.4 COC=CC(=O)C MCULE-4868833764 [0,0,1,0,0,0|1,0,0]=2 1055 B6R0.4 COC=CC(=O)Cl MCULE-4966577139 [0,0,1,0,0,0|2,0,0]=3 1056 B6R0.4 COC=CC(=O)O MCULE-4252899122 [0,0,1,0,0,0|2,0,0]=3 1057 B6R0.4 COCCC(=O)C MCULE-5939812376 [0,0,1,0,0,0|1,0,2]=4 1058 B6R0.4 COCCC(=O)Cl MCULE-9454266286 [0,0,1,0,0,0|2,0,1]=4 1059 B6R0.4 COCCC(=O)N MCULE-7556483675 [0,0,1,0,0,0|2,0,1]=4 1060 B6R0.4 COCCC(=O)O MCULE-3436347115 [0,0,1,0,0,0|2,0,1]=4 1061 B6R0.4 COCOC(=O)C MCULE-8876091916 [0,0,1,0,0,0|2,0,1]=4 1062 B6R0.4 CON=CC(=O)O MCULE-6800819509 [0,0,1,0,0,0|3,0,0]=4 1063 B6R0.4 CS(=O)CCCN MCULE-1124989526 [0,0,1,0,0,0|2,0,1]=4 1064 B6R0.4 CS(=O)CCCN MCULE-8758903495 [0,0,1,0,0,0|2,0,1]=4 1065 B6R0.4 CSCCC(=O)C MCULE-6178663156 [0,0,1,0,0,0|1,0,2]=4 1066 B6R0.4 CSCCC(=O)Cl MCULE-9732512141 [0,0,1,0,0,0|2,0,1]=4 1067 B6R0.4 CSCCC(=O)N MCULE-7105035733 [0,0,1,0,0,0|2,0,1]=4 1068 B6R0.4 CSCCC(=O)O MCULE-9550032941 [0,0,1,0,0,0|2,0,1]=4 1069 B6R0.4 CSCOC(=O)C MCULE-1498769347 [0,0,1,0,0,0|2,0,1]=4 1070 B6R0.4 N#CC=CC(=O)O MCULE-9790502930 [0,0,1,0,0,0|2,0,1]=4 1071 B6R0.4 N#CCCC(=O)O MCULE-3165189228 [0,0,1,0,0,0|2,0,1]=4 1072 B6R0.4 NC(=O)CCCCl MCULE-2774705212 [0,0,1,0,0,0|2,0,0]=3 1073 B6R0.4 NC(=O)CCCO MCULE-3779341561 [0,0,1,0,0,0|2,0,0]=3 1074 B6R0.4 NC(=O)NCCCl MCULE-6117142945 [0,0,1,0,0,0|3,0,0]=4 1075 B6R0.4 NC(=O)NCCF MCULE-9526714989 [0,0,1,0,0,0|3,0,0]=4 1076 B6R0.4 NC(=O)NCCO MCULE-2353513655 [0,0,1,0,0,0|3,0,0]=4 1077 B6R0.4 NC(=O)OCCCl MCULE-4259077420 [0,0,1,0,0,0|3,0,0]=4 1078 B6R0.4 NC(=O)OCCO MCULE-7565460845 [0,0,1,0,0,0|3,0,0]=4 1079 B6R0.4 NC(=S)CCCO MCULE-8951145487 [0,0,1,0,0,0|2,1,0]=4 1080 B6R0.4 NC/C=C/C(=O)O MCULE-1249244912 [0,0,1,0,0,0|2,0,0]=3 1081 B6R0.4 NCC=CC(=O)O MCULE-3049811576 [0,0,1,0,0,0|2,0,0]=3 1082 B6R0.4 NCC=CC(=O)O MCULE-5171717036 [0,0,1,0,0,0|2,0,0]=3 1083 B6R0.4 NCCCC(=O)Cl MCULE-1312882775 [0,0,1,0,0,0|2,0,0]=3 1084 B6R0.4 NCCCC(=O)Cl MCULE-6405362906 [0,0,1,0,0,0|2,0,0]=3 1085 B6R0.4 NCCCC(=O)N MCULE-8039142092 [0,0,1,0,0,0|2,0,0]=3 1086 B6R0.4 NCCCC(=O)N MCULE-8262250872 [0,0,1,0,0,0|2,0,0]=3 1087 B6R0.4 NCCCC(=O)O MCULE-3615304273 [0,0,1,0,0,0|2,0,0]=3 1088 B6R0.4 NCCCC(=O)O MCULE-7613134021 [0,0,1,0,0,0|2,0,0]=3 1089 B6R0.4 NCCNC(=O)N MCULE-1197396950 [0,0,1,0,0,0|3,0,0]=4 1090 B6R0.4 NCCNC(=O)N MCULE-2171700183 [0,0,1,0,0,0|3,0,0]=4 1091 B6R0.4 NCCNC(=O)N MCULE-3799764813 [0,0,1,0,0,0|3,0,0]=4 1092 B6R0.4 NCCOC(=O)N MCULE-4144808257 [0,0,1,0,0,0|3,0,0]=4 1093 B6R0.4 NCCOC(=O)N MCULE-5815053840 [0,0,1,0,0,0|3,0,0]=4 1094 B6R0.4 NOCCC(=O)O MCULE-1529492904 [0,0,1,0,0,0|3,0,0]=4 1095 B6R0.4 NOCCC(=O)O MCULE-6297331357 [0,0,1,0,0,0|3,0,0]=4 1096 B6R0.4 O=C(Cl)CCCBr MCULE-1389049838 [0,0,1,0,0,0|2,0,0]=3 1097 B6R0.4 O=C(Cl)CCCCl MCULE-5885932072 [0,0,1,0,0,0|2,0,0]=3 1098 B6R0.4 O=C(Cl)OCCBr MCULE-6758010852 [0,0,1,0,0,0|3,0,0]=4 1099 B6R0.4 O=C(Cl)OCCCl MCULE-1505786385 [0,0,1,0,0,0|3,0,0]=4 1100 B6R0.4 O=C(Cl)OCCF MCULE-5233366139 [0,0,1,0,0,0|3,0,0]=4 1101 B6R0.4 O=C(O)/C=C/CBr MCULE-2012997584 [0,0,1,0,0,0|2,0,0]=3 1102 B6R0.4 O=C(O)/C=C/CCl MCULE-5651159998 [0,0,1,0,0,0|2,0,0]=3 1103 B6R0.4 O=C(O)/C=C/CO MCULE-1612823053 [0,0,1,0,0,0|2,0,0]=3 1104 B6R0.4 O=C(O)C=CCBr MCULE-3029375430 [0,0,1,0,0,0|2,0,0]=3 1105 B6R0.4 O=C(O)C=CCCl MCULE-1050913038 [0,0,1,0,0,0|2,0,0]=3 1106 B6R0.4 O=C(O)C=CCO MCULE-3375515425 [0,0,1,0,0,0|2,0,0]=3 1107 B6R0.4 O=C(O)CCCBr MCULE-5669825022 [0,0,1,0,0,0|2,0,0]=3 1108 B6R0.4 O=C(O)CCCCl MCULE-7721427391 [0,0,1,0,0,0|2,0,0]=3 1109 B6R0.4 O=C(O)CCCF MCULE-2415675768 [0,0,1,0,0,0|2,0,0]=3 1110 B6R0.4 O=C(O)CCCI MCULE-7794841553 [0,0,1,0,0,0|2,0,0]=3 1111 B6R0.4 O=C(O)CCCS MCULE-3352840152 [0,0,1,0,0,0|2,0,0]=3 1112 B6R0.4 O=C(O)CNCO MCULE-4092998319 [0,0,1,0,0,0|3,0,0]=4 1113 B6R0.4 O=C([O-])CCCCl MCULE-4131322715 [0,0,1,0,0,0|2,0,0]=3 1114 B6R0.4 O=C([O-])CNCO MCULE-2804068565 [0,0,1,0,0,0|3,0,0]=4 1115 B6R0.4 O=CCCC(=O)O MCULE-7183864722 [0,0,1,0,0,0|2,0,1]=4 1116 B6R0.4 O=N(=O)CCCBr MCULE-7541604704 [0,0,1,0,0,0|3,0,0]=4 1117 B6R0.4 O=N(=O)CCCCl MCULE-3635255631 [0,0,1,0,0,0|3,0,0]=4 1118 B6R0.4 O=N(=O)CCCO MCULE-5021681032 [0,0,1,0,0,0|3,0,0]=4 1119 B6R0.6 C#CCCCC=C MCULE-2596375073 [0,0,1,0,0,0|1,0,1]=3 1120 B6R0.6 C#CCCCC=O MCULE-4075029417 [0,0,1,0,0,0|0,0,2]=3 1121 B6R0.6 C#CCNCC=C MCULE-1414912482 [0,0,1,0,0,0|2,0,1]=4 1122 B6R0.6 C#CCNCC=C MCULE-4936638084 [0,0,1,0,0,0|2,0,1]=4 1123 B6R0.6 C(=C/CCC)\CO MCULE-6491762150 [0,0,1,0,0,0|0,0,2]=3 1124 B6R0.6 C/C=C/C=C/C=O MCULE-9837225903 [0,0,1,0,0,0|0,0,2]=3 1125 B6R0.6 C/C=C/C=C/CO MCULE-3717958585 [0,0,1,0,0,0|2,0,1]=4 1126 B6R0.6 C/C=C/CCCC MCULE-6900331316 [0,0,1,0,0,0|1,0,1]=3 1127 B6R0.6 C/C=C/CCCO MCULE-9865436125 [0,0,1,0,0,0|2,0,1]=4 1128 B6R0.6 C/C=C\CCCC MCULE-8426867799 [0,0,1,0,0,0|1,0,1]=3 1129 B6R0.6 C/C=C\CCCO MCULE-3169839661 [0,0,1,0,0,0|2,0,1]=4 1130 B6R0.6 C=CC=CCCBr MCULE-8528821525 [0,0,1,0,0,0|2,0,0]=3 1131 B6R0.6 C=CC=CCCN MCULE-8129949310 [0,0,1,0,0,0|2,0,0]=3 1132 B6R0.6 C=CC=CCCO MCULE-5956097722 [0,0,1,0,0,0|2,0,0]=3 1133 B6R0.6 C=CCC/C=C/C MCULE-3936427871 [0,0,1,0,0,0|1,0,1]=3 1134 B6R0.6 C=CCCC=CC MCULE-6481809840 [0,0,1,0,0,0|1,0,1]=3 1135 B6R0.6 C=CCCCC#N MCULE-3708293792 [0,0,1,0,0,0|1,0,1]=3 1136 B6R0.6 C=CCCCC=O MCULE-8676840281 [0,0,1,0,0,0|0,0,0]=1 1137 B6R0.6 C=CCCCCBr MCULE-4313298656 [0,0,1,0,0,0|1,0,1]=3 1138 B6R0.6 C=CCCCCC MCULE-5868303078 [0,0,1,0,0,0|1,0,1]=3 1139 B6R0.6 C=CCCCCCl MCULE-7600727876 [0,0,1,0,0,0|1,0,1]=3 1140 B6R0.6 C=CCCCCI MCULE-5694143061 [0,0,1,0,0,0|1,0,1]=3 1141 B6R0.6 C=CCCCCN MCULE-1489231988 [0,0,1,0,0,0|1,0,1]=3 1142 B6R0.6 C=CCCCCN MCULE-4288584778 [0,0,1,0,0,0|1,0,1]=3 1143 B6R0.6 C=CCCCCO MCULE-3631432277 [0,0,1,0,0,0|0,0,2]=3 1144 B6R0.6 C=CCCCNC MCULE-6696525157 [0,0,1,0,0,0|2,0,0]=3 1145 B6R0.6 C=CCCCNC MCULE-7417274044 [0,0,1,0,0,0|2,0,0]=3 1146 B6R0.6 C=CCCCON MCULE-6496647420 [0,0,1,0,0,0|2,0,0]=3 1147 B6R0.6 C=CCCCON MCULE-7055713530 [0,0,1,0,0,0|2,0,0]=3 1148 B6R0.6 C=CCCN=C=S MCULE-4761371048 [0,0,1,0,0,0|1,1,1]=4 1149 B6R0.6 C=CCNCC=C MCULE-1595235262 [0,0,1,0,0,0|2,0,0]=3 1150 B6R0.6 C=CCNCC=C MCULE-3284076720 [0,0,1,0,0,0|2,0,0]=3 1151 B6R0.6 C=CCNCCC MCULE-4239068147 [0,0,1,0,0,0|2,0,1]=4 1152 B6R0.6 C=CCNCCC MCULE-9778489216 [0,0,1,0,0,0|2,0,1]=4 1153 B6R0.6 C=CCNCCO MCULE-5860509324 [0,0,1,0,0,0|1,0,2]=4 1154 B6R0.6 C=CCOCC=C MCULE-1121686176 [0,0,1,0,0,0|2,0,0]=3 1155 B6R0.6 C=CCOCC=O MCULE-8507800253 [0,0,1,0,0,0|1,0,0]=2 1156 B6R0.6 C=CCOCCBr MCULE-7565992230 [0,0,1,0,0,0|2,0,1]=4 1157 B6R0.6 C=CCOCCCl MCULE-1353236332 [0,0,1,0,0,0|2,0,1]=4 1158 B6R0.6 C=CCOCCI MCULE-8468439129 [0,0,1,0,0,0|2,0,1]=4 1159 B6R0.6 C=CCOCCN MCULE-5411259412 [0,0,1,0,0,0|2,0,1]=4 1160 B6R0.6 C=CCOCCN MCULE-9798285838 [0,0,1,0,0,0|2,0,1]=4 1161 B6R0.6 C=CCOCCO MCULE-5718868633 [0,0,1,0,0,0|1,0,2]=4 1162 B6R0.6 C=CCOCOC MCULE-6553342654 [0,0,1,0,0,0|3,0,0]=4 1163 B6R0.6 C=CCSCC=C MCULE-7417537491 [0,0,1,0,0,0|2,0,0]=3 1164 B6R0.6 C=CCSCCC MCULE-3855352363 [0,0,1,0,0,0|2,0,1]=4 1165 B6R0.6 C=CCSCCN MCULE-3972995930 [0,0,1,0,0,0|2,0,1]=4 1166 B6R0.6 C=CCSCCN MCULE-9922932955 [0,0,1,0,0,0|2,0,1]=4 1167 B6R0.6 C=COCCCC MCULE-2025922328 [0,0,1,0,0,0|2,0,1]=4 1168 B6R0.6 C=COCCCN MCULE-1669664157 [0,0,1,0,0,0|2,0,1]=4 1169 B6R0.6 C=COCCCO MCULE-8325617945 [0,0,1,0,0,0|1,0,2]=4 1170 B6R0.6 C=COCCOC MCULE-6845218696 [0,0,1,0,0,0|3,0,0]=4 1171 B6R0.6 C=COCCON MCULE-8247202981 [0,0,1,0,0,0|3,0,0]=4 1172 B6R0.6 CC/C=C/CCC MCULE-5222700461 [0,0,1,0,0,0|1,0,1]=3 1173 B6R0.6 CC/C=C/CCO MCULE-9853729917 [0,0,1,0,0,0|2,0,1]=4 1174 B6R0.6 CC/C=C\CC=O MCULE-1715953159 [0,0,1,0,0,0|0,0,2]=3 1175 B6R0.6 CC/C=C\CCO MCULE-9206958060 [0,0,1,0,0,0|2,0,1]=4 1176 B6R0.6 CC=CC=CC=O MCULE-7370101773 [0,0,1,0,0,0|0,0,2]=3 1177 B6R0.6 CC=CC=CCN MCULE-9780064235 [0,0,1,0,0,0|2,0,1]=4 1178 B6R0.6 CC=CC=CCO MCULE-1802738822 [0,0,1,0,0,0|2,0,1]=4 1179 B6R0.6 CC=CCCCBr MCULE-1109208969 [0,0,1,0,0,0|2,0,1]=4 1180 B6R0.6 CC=CCCCC MCULE-7277981733 [0,0,1,0,0,0|1,0,1]=3 1181 B6R0.6 CC=CCCCCl MCULE-7487798637 [0,0,1,0,0,0|2,0,1]=4 1182 B6R0.6 CC=CCCCO MCULE-1401303632 [0,0,1,0,0,0|2,0,1]=4 1183 B6R0.6 CC=CSCCC MCULE-3534082442 [0,0,1,0,0,0|2,0,0]=3 1184 B6R0.6 CCC#CCC=O MCULE-4049790039 [0,0,1,0,0,0|0,0,3]=4 1185 B6R0.6 CCC/C=C/C=O MCULE-3059768922 [0,0,1,0,0,0|0,0,0]=1 1186 B6R0.6 CCC=CCC=O MCULE-5764198290 [0,0,1,0,0,0|0,0,2]=3 1187 B6R0.6 CCC=CCCBr MCULE-7873583643 [0,0,1,0,0,0|2,0,1]=4 1188 B6R0.6 CCC=CCCC MCULE-3739501724 [0,0,1,0,0,0|1,0,1]=3 1189 B6R0.6 CCC=CCCI MCULE-9416216252 [0,0,1,0,0,0|2,0,1]=4 1190 B6R0.6 CCC=CCCO MCULE-1781375433 [0,0,1,0,0,0|2,0,1]=4 1191 B6R0.6 CCC=COCC MCULE-1991976030 [0,0,1,0,0,0|2,0,1]=4 1192 B6R0.6 CCCC=CC=O MCULE-5273169296 [0,0,1,0,0,0|0,0,0]=1 1193 B6R0.6 CCCC=CCBr MCULE-2474104566 [0,0,1,0,0,0|1,0,1]=3 1194 B6R0.6 CCCC=CCO MCULE-3204738641 [0,0,1,0,0,0|0,0,2]=3 1195 B6R0.6 CCCCCC=O MCULE-6770578514 [0,0,1,0,0,0|0,0,2]=3 1196 B6R0.6 CCCCN=C=O MCULE-3381327717 [0,0,1,0,0,0|1,0,2]=4 1197 B6R0.6 CCCCNC=O MCULE-8821792924 [0,0,1,0,0,0|1,0,1]=3 1198 B6R0.6 CCCCOC=O MCULE-4633421026 [0,0,1,0,0,0|1,0,1]=3 1199 B6R0.6 CCCCON=O MCULE-9992790020 [0,0,1,0,0,0|2,0,1]=4 1200 B6R0.6 CCO/C=C/C#N MCULE-4278586794 [0,0,1,0,0,0|2,0,1]=4 1201 B6R0.6 CCOC=CC#N MCULE-5002780993 [0,0,1,0,0,0|2,0,1]=4 1202 B6R0.6 CCOCCC=O MCULE-1664130148 [0,0,1,0,0,0|1,0,2]=4 1203 B6R0.6 CCSCCC=O MCULE-2493452950 [0,0,1,0,0,0|1,0,2]=4 1204 B6R0.6 COCCCC=O MCULE-2055914202 [0,0,1,0,0,0|1,0,1]=3 1205 B6R0.6 COCCNC=O MCULE-9003279073 [0,0,1,0,0,0|2,0,1]=4 1206 B6R0.6 CSCCCC=O MCULE-6353729217 [0,0,1,0,0,0|1,0,1]=3 1207 B6R0.6 NCC=CCCN MCULE-5058870063 [0,0,1,0,0,0|2,0,1]=4 1208 B6R0.6 NCC=CCCN MCULE-6332692206 [0,0,1,0,0,0|2,0,1]=4 1209 B6R0.6 NCCCNC=O MCULE-9651299205 [0,0,1,0,0,0|2,0,1]=4 1210 B6R0.6 O=CC=CC=C[O-] MCULE-1735082795 [0,0,1,0,0,0|1,0,2]=4 1211 B6R0.6 O=CC=CC=C[O-] MCULE-1943976542 [0,0,1,0,0,0|1,0,2]=4 1212 B6R0.6 O=CCCCC=O MCULE-6802048757 [0,0,1,0,0,0|1,0,0]=2 1213 B6R0.6 O=CCCCCCl MCULE-1257670284 [0,0,1,0,0,0|1,0,1]=3 1214 B6R0.6 O=CCCCCO MCULE-7959082228 [0,0,1,0,0,0|1,0,1]=3 1215 B6R0.6 O=CNCCCO MCULE-7926485528 [0,0,1,0,0,0|2,0,1]=4 1216 B6R0.6 O=CNCNC=O MCULE-3123960034 [0,0,1,0,0,0|3,0,0]=4 1217 B8R2.18 O=C1CC2CC2C1 MCULE-4411193370 [0,0,0,1,0,0|0,0,2]=3 1218 B8R2.18 O=C1CC2CC2N1 MCULE-6301280583 [0,0,0,1,0,0|1,0,1]=3 1219 B8R2.18 O=C1CC2OC2C1 MCULE-2497020989 [0,0,0,1,0,0|1,0,2]=4 1220 B8R2.18 O=C1C[C@@H]2C[C@@H]2C1 MCULE-3069760916 [0,0,0,1,0,0|0,0,2]=3 1221 B8R2.25 C1=CC2OC2CC1 MCULE-7663024594 [0,0,0,1,0,0|0,0,2]=3 1222 B8R2.34 C1=CC2CC1CN2 MCULE-8550335449 [0,0,0,1,0,0|2,0,1]=4 1223 B8R2.34 C1=CC2CC1CN2 MCULE-8595299184 [0,0,0,1,0,0|2,0,1]=4 1224 B8R2.34 C1=CC2CC1CN2 MCULE-8666434833 [0,0,0,1,0,0|2,0,1]=4 1225 B8R2.34 C1=CC2CCC1C2 MCULE-5201834756 [0,0,0,1,0,0|1,0,1]=3 1226 B8R2.34 C1=CC2CCC1N2 MCULE-2555429737 [0,0,0,1,0,0|1,0,1]=3 1227 B8R2.34 C1=C[C@@H]2CC[C@H]1C2 MCULE-7203152549 [0,0,0,1,0,0|1,0,1]=3 1228 B8R2.34 [C@@H]12C=C[C@@H](C1)CN2 MCULE-4661302801 [0,0,0,1,0,0|2,0,1]=4 1229 B8R2.34 [C@@H]12C=C[C@@H](C1)CN2 MCULE-8640120207 [0,0,0,1,0,0|2,0,1]=4 1230 B8R2.34 [C@@H]12C=C[C@@H](C1)NC2 MCULE-7320340451 [0,0,0,1,0,0|2,0,1]=4 1231 B8R2.38 O=C1CCC2C1C2 MCULE-4714285285 [0,0,0,1,0,0|0,0,2]=3 1232 B8R2.38 O=C1CCC2C1O2 MCULE-5532735099 [0,0,0,1,0,0|1,0,1]=3 1233 B8R2.38 O=C1CC[C@@H]2[C@H]1C2 MCULE-7728867768 [0,0,0,1,0,0|0,0,2]=3 1234 B8R2.38 O=C1CC[C@H]2[C@@H]1C2 MCULE-1007541778 [0,0,0,1,0,0|0,0,2]=3 1235 B8R2.38 O=C1CC[C@H]2[C@@H]1C2 MCULE-8077752466 [0,0,0,1,0,0|0,0,2]=3 1236 B8R2.38 O=C1NCC2C1C2 MCULE-5593114305 [0,0,0,1,0,0|1,0,1]=3 1237 B8R2.38 O=C1NC[C@H]2[C@@H]1C2 MCULE-6438081695 [0,0,0,1,0,0|1,0,1]=3 1238 B6R1.2 BrC1=CC=CN1 MCULE-5264580992 [0,0,0,0,1,0|2,0,1]=4 1239 B6R1.2 BrC1=CC=CO1 MCULE-5734064318 [0,0,0,0,1,0|2,0,1]=4 1240 B6R1.2 BrC1=CC=CS1 MCULE-1364150691 [0,0,0,0,1,0|2,0,1]=4 1241 B6R1.2 BrC1=CC=C[Se]1 MCULE-9011330064 [0,0,0,0,1,0|2,0,1]=4 1242 B6R1.2 BrC1=CC=NN1 MCULE-9341716246 [0,0,0,0,1,0|3,0,0]=4 1243 B6R1.2 BrC1=CC=NO1 MCULE-9219362534 [0,0,0,0,1,0|3,0,0]=4 1244 B6R1.2 BrC1=CC=NS1 MCULE-2346915540 [0,0,0,0,1,0|3,0,0]=4 1245 B6R1.2 BrC1=CCCC1 MCULE-1008379150 [0,0,0,0,1,0|1,0,0]=2 1246 B6R1.2 BrC1=CNC=C1 MCULE-2704154564 [0,0,0,0,1,0|2,0,1]=4 1247 B6R1.2 BrC1=COC=C1 MCULE-7282301463 [0,0,0,0,1,0|2,0,1]=4 1248 B6R1.2 BrC1=COCC1 MCULE-8057569313 [0,0,0,0,1,0|2,0,0]=3 1249 B6R1.2 BrC1=CSC=C1 MCULE-6680927224 [0,0,0,0,1,0|2,0,1]=4 1250 B6R1.2 BrC1=NOC=C1 MCULE-1786338778 [0,0,0,0,1,0|3,0,0]=4 1251 B6R1.2 BrC1=NSC=C1 MCULE-5948625316 [0,0,0,0,1,0|3,0,0]=4 1252 B6R1.2 BrC1CCCC1 MCULE-9383923023 [0,0,0,0,1,0|1,0,2]=4 1253 B6R1.2 C=C1CCCC1 MCULE-4115373196 [0,0,0,0,1,0|1,0,1]=3 1254 B6R1.2 C=C1CCNC1 MCULE-7982953073 [0,0,0,0,1,0|2,0,1]=4 1255 B6R1.2 C=C1CCNC1 MCULE-8428731599 [0,0,0,0,1,0|2,0,1]=4 1256 B6R1.2 C=C1CCSC1 MCULE-7042571473 [0,0,0,0,1,0|2,0,1]=4 1257 B6R1.2 CC1=CC=CC1 MCULE-3765599626 [0,0,0,0,1,0|1,0,1]=3 1258 B6R1.2 CC1=CC=CN1 MCULE-7608248575 [0,0,0,0,1,0|2,0,1]=4 1259 B6R1.2 CC1=CC=CO1 MCULE-3620289319 [0,0,0,0,1,0|2,0,1]=4 1260 B6R1.2 CC1=CC=CS1 MCULE-7297776024 [0,0,0,0,1,0|2,0,1]=4 1261 B6R1.2 CC1=CC=NN1 MCULE-1457877312 [0,0,0,0,1,0|3,0,0]=4 1262 B6R1.2 CC1=CC=NN1 MCULE-3441401586 [0,0,0,0,1,0|3,0,0]=4 1263 B6R1.2 CC1=CC=NO1 MCULE-3188314923 [0,0,0,0,1,0|3,0,0]=4 1264 B6R1.2 CC1=CC=NS1 MCULE-4163670775 [0,0,0,0,1,0|3,0,0]=4 1265 B6R1.2 CC1=CCCC1 MCULE-8508688474 [0,0,0,0,1,0|1,0,0]=2 1266 B6R1.2 CC1=CCCO1 MCULE-7276659214 [0,0,0,0,1,0|2,0,0]=3 1267 B6R1.2 CC1=CCNC1 MCULE-5892113847 [0,0,0,0,1,0|2,0,0]=3 1268 B6R1.2 CC1=CCNC1 MCULE-9225220351 [0,0,0,0,1,0|2,0,0]=3 1269 B6R1.2 CC1=CNC=C1 MCULE-9114555776 [0,0,0,0,1,0|2,0,1]=4 1270 B6R1.2 CC1=COC=C1 MCULE-1597223627 [0,0,0,0,1,0|2,0,1]=4 1271 B6R1.2 CC1=CSC=C1 MCULE-1408158529 [0,0,0,0,1,0|2,0,1]=4 1272 B6R1.2 CC1=NCCC1 MCULE-5009170423 [0,0,0,0,1,0|2,0,0]=3 1273 B6R1.2 CC1=NCCN1 MCULE-4787238872 [0,0,0,0,1,0|3,0,0]=4 1274 B6R1.2 CC1=NCCO1 MCULE-8564633040 [0,0,0,0,1,0|3,0,0]=4 1275 B6R1.2 CC1=NCCS1 MCULE-1701303405 [0,0,0,0,1,0|3,0,0]=4 1276 B6R1.2 CC1=NNCC1 MCULE-1758510182 [0,0,0,0,1,0|3,0,0]=4 1277 B6R1.2 CC1=NOC=C1 MCULE-1572732397 [0,0,0,0,1,0|3,0,0]=4 1278 B6R1.2 CC1=NSC=C1 MCULE-6941128185 [0,0,0,0,1,0|3,0,0]=4 1279 B6R1.2 CC1C=CCC1 MCULE-1638534048 [0,0,0,0,1,0|1,0,1]=3 1280 B6R1.2 CC1CCCC1 MCULE-4702116068 [0,0,0,0,1,0|1,0,2]=4 1281 B6R1.2 CC1CCCN1 MCULE-4853624560 [0,0,0,0,1,0|2,0,1]=4 1282 B6R1.2 CC1CCCN1 MCULE-5939948024 [0,0,0,0,1,0|2,0,1]=4 1283 B6R1.2 CC1CCCN1 MCULE-6020011445 [0,0,0,0,1,0|2,0,1]=4 1284 B6R1.2 CC1CCCN1 MCULE-7855346849 [0,0,0,0,1,0|2,0,1]=4 1285 B6R1.2 CC1CCCO1 MCULE-2526138687 [0,0,0,0,1,0|2,0,1]=4 1286 B6R1.2 CC1CCCS1 MCULE-8372499972 [0,0,0,0,1,0|2,0,1]=4 1287 B6R1.2 CN1CCCC1 MCULE-5387702231 [0,0,0,0,1,0|2,0,1]=4 1288 B6R1.2 C[C@@H]1CCCN1 MCULE-1038329474 [0,0,0,0,1,0|2,0,1]=4 1289 B6R1.2 C[C@@H]1CCCN1 MCULE-1829999308 [0,0,0,0,1,0|2,0,1]=4 1290 B6R1.2 C[C@@H]1CCCN1 MCULE-8644278041 [0,0,0,0,1,0|2,0,1]=4 1291 B6R1.2 C[C@@H]1CCCN1 MCULE-9243990647 [0,0,0,0,1,0|2,0,1]=4 1292 B6R1.2 C[C@H]1CCCN1 MCULE-2078024663 [0,0,0,0,1,0|2,0,1]=4 1293 B6R1.2 C[C@H]1CCCN1 MCULE-3113877345 [0,0,0,0,1,0|2,0,1]=4 1294 B6R1.2 C[C@H]1CCCN1 MCULE-3426869473 [0,0,0,0,1,0|2,0,1]=4 1295 B6R1.2 C[C@H]1CCCN1 MCULE-5093266679 [0,0,0,0,1,0|2,0,1]=4 1296 B6R1.2 C[S+]1CCCC1 MCULE-6294888335 [0,0,0,0,1,0|2,0,1]=4 1297 B6R1.2 C[S+]1CCCC1 MCULE-8432227262 [0,0,0,0,1,0|2,0,1]=4 1298 B6R1.2 ClC1=CC=CO1 MCULE-3538307465 [0,0,0,0,1,0|2,0,1]=4 1299 B6R1.2 ClC1=CC=CS1 MCULE-2640438050 [0,0,0,0,1,0|2,0,1]=4 1300 B6R1.2 ClC1=CC=NN1 MCULE-3560728451 [0,0,0,0,1,0|3,0,0]=4 1301 B6R1.2 ClC1=CCCC1 MCULE-7680993065 [0,0,0,0,1,0|1,0,0]=2 1302 B6R1.2 ClC1=CSC=C1 MCULE-1998275400 [0,0,0,0,1,0|2,0,1]=4 1303 B6R1.2 ClC1=NCCN1 MCULE-2043711677 [0,0,0,0,1,0|3,0,0]=4 1304 B6R1.2 ClC1=NCCN1 MCULE-2296476673 [0,0,0,0,1,0|3,0,0]=4 1305 B6R1.2 ClC1=NNC=C1 MCULE-6678816051 [0,0,0,0,1,0|3,0,0]=4 1306 B6R1.2 ClC1=NSC=C1 MCULE-5743382341 [0,0,0,0,1,0|3,0,0]=4 1307 B6R1.2 ClC1CCCC1 MCULE-3285928655 [0,0,0,0,1,0|1,0,2]=4 1308 B6R1.2 FC1=CC=CS1 MCULE-5362233873 [0,0,0,0,1,0|2,0,1]=4 1309 B6R1.2 FC1=CSC=C1 MCULE-3342972910 [0,0,0,0,1,0|2,0,1]=4 1310 B6R1.2 FC1=NNC=C1 MCULE-3532126949 [0,0,0,0,1,0|3,0,0]=4 1311 B6R1.2 FC1CCCC1 MCULE-1416016970 [0,0,0,0,1,0|1,0,2]=4 1312 B6R1.2 F[C@H]1CCCN1 MCULE-8612757365 [0,0,0,0,1,0|2,0,1]=4 1313 B6R1.2 IC1=CC=CO1 MCULE-6467830719 [0,0,0,0,1,0|2,0,1]=4 1314 B6R1.2 IC1=CC=CS1 MCULE-6025659368 [0,0,0,0,1,0|2,0,1]=4 1315 B6R1.2 IC1=CC=NN1 MCULE-9744954898 [0,0,0,0,1,0|3,0,0]=4 1316 B6R1.2 IC1=CC=NS1 MCULE-7758361866 [0,0,0,0,1,0|3,0,0]=4 1317 B6R1.2 IC1=CCCC1 MCULE-5953451970 [0,0,0,0,1,0|1,0,0]=2 1318 B6R1.2 IC1=CNC=C1 MCULE-4230351559 [0,0,0,0,1,0|2,0,1]=4 1319 B6R1.2 IC1=COCC1 MCULE-3076361502 [0,0,0,0,1,0|2,0,0]=3 1320 B6R1.2 IC1=CSC=C1 MCULE-1100365117 [0,0,0,0,1,0|2,0,1]=4 1321 B6R1.2 IC1=NNC=C1 MCULE-9771094813 [0,0,0,0,1,0|3,0,0]=4 1322 B6R1.2 IC1CCCC1 MCULE-2705379744 [0,0,0,0,1,0|1,0,2]=4 1323 B6R1.2 N=C1CCCS1 MCULE-4228855265 [0,0,0,0,1,0|2,0,0]=3 1324 B6R1.2 N=C1CCCS1 MCULE-7496124035 [0,0,0,0,1,0|2,0,0]=3 1325 B6R1.2 N=C1NCCN1 MCULE-4983030911 [0,0,0,0,1,0|3,0,0]=4 1326 B6R1.2 NC1=CC=CN1 MCULE-5653620818 [0,0,0,0,1,0|2,0,1]=4 1327 B6R1.2 NC1=CC=CN1 MCULE-9753432085 [0,0,0,0,1,0|2,0,1]=4 1328 B6R1.2 NC1=CC=CO1 MCULE-2421139965 [0,0,0,0,1,0|2,0,1]=4 1329 B6R1.2 NC1=CC=CS1 MCULE-1649510352 [0,0,0,0,1,0|2,0,1]=4 1330 B6R1.2 NC1=CC=CS1 MCULE-9501271303 [0,0,0,0,1,0|2,0,1]=4 1331 B6R1.2 NC1=CC=NO1 MCULE-3638275568 [0,0,0,0,1,0|3,0,0]=4 1332 B6R1.2 NC1=CC=NS1 MCULE-2159626770 [0,0,0,0,1,0|3,0,0]=4 1333 B6R1.2 NC1=CC=NS1 MCULE-8733584582 [0,0,0,0,1,0|3,0,0]=4 1334 B6R1.2 NC1=CCNN1 MCULE-1539779543 [0,0,0,0,1,0|3,0,0]=4 1335 B6R1.2 NC1=CCNN1 MCULE-3460056890 [0,0,0,0,1,0|3,0,0]=4 1336 B6R1.2 NC1=CCNN1 MCULE-5423983278 [0,0,0,0,1,0|3,0,0]=4 1337 B6R1.2 NC1=CNC=C1 MCULE-1411730985 [0,0,0,0,1,0|2,0,1]=4 1338 B6R1.2 NC1=CNC=C1 MCULE-7701316156 [0,0,0,0,1,0|2,0,1]=4 1339 B6R1.2 NC1=COC=C1 MCULE-1858324031 [0,0,0,0,1,0|2,0,1]=4 1340 B6R1.2 NC1=COC=C1 MCULE-3985426542 [0,0,0,0,1,0|2,0,1]=4 1341 B6R1.2 NC1=CSC=C1 MCULE-1673174137 [0,0,0,0,1,0|2,0,1]=4 1342 B6R1.2 NC1=CSC=C1 MCULE-5461897385 [0,0,0,0,1,0|2,0,1]=4 1343 B6R1.2 NC1=CSC=C1 MCULE-6200615331 [0,0,0,0,1,0|2,0,1]=4 1344 B6R1.2 NC1=CSC=C1 MCULE-9439581665 [0,0,0,0,1,0|2,0,1]=4 1345 B6R1.2 NC1=NCCC1 MCULE-6089369366 [0,0,0,0,1,0|2,0,0]=3 1346 B6R1.2 NC1=NCCC1 MCULE-8979618464 [0,0,0,0,1,0|2,0,0]=3 1347 B6R1.2 NC1=NCCN1 MCULE-1788173657 [0,0,0,0,1,0|3,0,0]=4 1348 B6R1.2 NC1=NCCN1 MCULE-9804694628 [0,0,0,0,1,0|3,0,0]=4 1349 B6R1.2 NC1=NCCO1 MCULE-1257431295 [0,0,0,0,1,0|3,0,0]=4 1350 B6R1.2 NC1=NCCO1 MCULE-9912511107 [0,0,0,0,1,0|3,0,0]=4 1351 B6R1.2 NC1=NCCS1 MCULE-3397143190 [0,0,0,0,1,0|3,0,0]=4 1352 B6R1.2 NC1=NCCS1 MCULE-9466856269 [0,0,0,0,1,0|3,0,0]=4 1353 B6R1.2 NC1=NCCS1 MCULE-9984008966 [0,0,0,0,1,0|3,0,0]=4 1354 B6R1.2 NC1=NNC=C1 MCULE-1507683823 [0,0,0,0,1,0|3,0,0]=4 1355 B6R1.2 NC1=NNC=C1 MCULE-5117516307 [0,0,0,0,1,0|3,0,0]=4 1356 B6R1.2 NC1=NNC=C1 MCULE-7091290697 [0,0,0,0,1,0|3,0,0]=4 1357 B6R1.2 NC1=NNCC1 MCULE-4665265929 [0,0,0,0,1,0|3,0,0]=4 1358 B6R1.2 NC1=NOC=C1 MCULE-5363092492 [0,0,0,0,1,0|3,0,0]=4 1359 B6R1.2 NC1=NOCC1 MCULE-4971355735 [0,0,0,0,1,0|3,0,0]=4 1360 B6R1.2 NC1=NSC=C1 MCULE-2731864153 [0,0,0,0,1,0|3,0,0]=4 1361 B6R1.2 NC1=NSC=C1 MCULE-4778941442 [0,0,0,0,1,0|3,0,0]=4 1362 B6R1.2 NC1C=CCC1 MCULE-2537724380 [0,0,0,0,1,0|1,0,1]=3 1363 B6R1.2 NC1C=CCC1 MCULE-5017993489 [0,0,0,0,1,0|1,0,1]=3 1364 B6R1.2 NC1CCCC1 MCULE-2292038009 [0,0,0,0,1,0|1,0,2]=4 1365 B6R1.2 NN1CCCC1 MCULE-1562593919 [0,0,0,0,1,0|2,0,1]=4 1366 B6R1.2 NN1CCCC1 MCULE-2311855036 [0,0,0,0,1,0|2,0,1]=4 1367 B6R1.2 NN1CCCC1 MCULE-5484008222 [0,0,0,0,1,0|2,0,1]=4 1368 B6R1.2 O=C1C=CCC1 MCULE-1844779047 [0,0,0,0,1,0|0,0,0]=1 1369 B6R1.2 O=C1C=CCN1 MCULE-4338701003 [0,0,0,0,1,0|1,0,0]=2 1370 B6R1.2 O=C1C=CCO1 MCULE-4296503663 [0,0,0,0,1,0|1,0,0]=2 1371 B6R1.2 O=C1C=CCS1 MCULE-5623095583 [0,0,0,0,1,0|1,0,0]=2 1372 B6R1.2 O=C1C=CNN1 MCULE-8045056316 [0,0,0,0,1,0|2,0,0]=3 1373 B6R1.2 O=C1C=CSC1 MCULE-6580304664 [0,0,0,0,1,0|1,0,0]=2 1374 B6R1.2 O=C1C=CSN1 MCULE-6820517860 [0,0,0,0,1,0|2,0,0]=3 1375 B6R1.2 O=C1CC=CC1 MCULE-7606670114 [0,0,0,0,1,0|0,0,2]=3 1376 B6R1.2 O=C1CC=NN1 MCULE-1672455504 [0,0,0,0,1,0|2,0,1]=4 1377 B6R1.2 O=C1CCCC1 MCULE-9455227735 [0,0,0,0,1,0|0,0,1]=2 1378 B6R1.2 O=C1CCCN1 MCULE-3061780794 [0,0,0,0,1,0|1,0,0]=2 1379 B6R1.2 O=C1CCCO1 MCULE-6795890265 [0,0,0,0,1,0|1,0,0]=2 1380 B6R1.2 O=C1CCCS1 MCULE-5361654550 [0,0,0,0,1,0|1,0,0]=2 1381 B6R1.2 O=C1CCNC1 MCULE-2947789259 [0,0,0,0,1,0|1,0,1]=3 1382 B6R1.2 O=C1CCNC1 MCULE-7192595052 [0,0,0,0,1,0|1,0,1]=3 1383 B6R1.2 O=C1CCNN1 MCULE-7030953666 [0,0,0,0,1,0|2,0,0]=3 1384 B6R1.2 O=C1CCOC1 MCULE-2031733910 [0,0,0,0,1,0|1,0,1]=3 1385 B6R1.2 O=C1CCON1 MCULE-6799359324 [0,0,0,0,1,0|2,0,0]=3 1386 B6R1.2 O=C1CCSC1 MCULE-2059655624 [0,0,0,0,1,0|1,0,1]=3 1387 B6R1.2 O=C1CC[NH2+]N1 MCULE-5327505055 [0,0,0,0,1,0|2,0,0]=3 1388 B6R1.2 O=C1CNCN1 MCULE-2645891847 [0,0,0,0,1,0|2,0,0]=3 1389 B6R1.2 O=C1CNCN1 MCULE-9269137129 [0,0,0,0,1,0|2,0,0]=3 1390 B6R1.2 O=C1CSCN1 MCULE-3946660854 [0,0,0,0,1,0|2,0,0]=3 1391 B6R1.2 O=C1N=CN=N1 MCULE-3721166402 [0,0,0,0,1,0|3,0,0]=4 1392 B6R1.2 O=C1NC=CN1 MCULE-6249170076 [0,0,0,0,1,0|2,0,1]=4 1393 B6R1.2 O=C1NC=CO1 MCULE-4371023805 [0,0,0,0,1,0|2,0,1]=4 1394 B6R1.2 O=C1NC=CS1 MCULE-2039347995 [0,0,0,0,1,0|2,0,1]=4 1395 B6R1.2 O=C1NC=NN1 MCULE-8685001700 [0,0,0,0,1,0|3,0,0]=4 1396 B6R1.2 O=C1NCCN1 MCULE-9806791551 [0,0,0,0,1,0|2,0,0]=3 1397 B6R1.2 O=C1NCCO1 MCULE-3934923008 [0,0,0,0,1,0|2,0,0]=3 1398 B6R1.2 O=C1NCCS1 MCULE-6732478086 [0,0,0,0,1,0|2,0,0]=3 1399 B6R1.2 O=C1OC=CO1 MCULE-1924277704 [0,0,0,0,1,0|2,0,1]=4 1400 B6R1.2 O=C1OCCO1 MCULE-9493253045 [0,0,0,0,1,0|2,0,0]=3 1401 B6R1.2 O=S1CCCC1 MCULE-2442126780 [0,0,0,0,1,0|1,0,1]=3 1402 B6R1.2 O=S1OCCO1 MCULE-5773173321 [0,0,0,0,1,0|3,0,0]=4 1403 B6R1.2 OC1=CC=CO1 MCULE-7591676996 [0,0,0,0,1,0|1,0,2]=4 1404 B6R1.2 OC1=CC=CS1 MCULE-8044830478 [0,0,0,0,1,0|1,0,2]=4 1405 B6R1.2 OC1=CC=NN1 MCULE-9109008036 [0,0,0,0,1,0|2,0,1]=4 1406 B6R1.2 OC1=CNC=C1 MCULE-3938204755 [0,0,0,0,1,0|1,0,2]=4 1407 B6R1.2 OC1=CSC=C1 MCULE-2226095386 [0,0,0,0,1,0|1,0,2]=4 1408 B6R1.2 OC1=NOC=C1 MCULE-6441945551 [0,0,0,0,1,0|2,0,1]=4 1409 B6R1.2 OC1C=CCC1 MCULE-3857764876 [0,0,0,0,1,0|0,0,2]=3 1410 B6R1.2 OC1C=CCO1 MCULE-4636930669 [0,0,0,0,1,0|1,0,2]=4 1411 B6R1.2 OC1CCCC1 MCULE-1758440264 [0,0,0,0,1,0|0,0,3]=4 1412 B6R1.2 OC1CCCN1 MCULE-4787168972 [0,0,0,0,1,0|1,0,2]=4 1413 B6R1.2 OC1CCCO1 MCULE-9632627344 [0,0,0,0,1,0|1,0,2]=4 1414 B6R1.2 P1(=O)OCCO1 MCULE-3753821837 [0,0,0,0,1,0|3,0,0]=4 1415 B6R1.2 S=C1CCCN1 MCULE-1089290822 [0,0,0,0,1,0|1,1,0]=3 1416 B6R1.2 S=C1NCCN1 MCULE-3300710815 [0,0,0,0,1,0|2,1,0]=4 1417 B6R1.2 S=C1SCCS1 MCULE-3003900032 [0,0,0,0,1,0|2,1,0]=4 1418 B6R1.2 SC1=CC=CS1 MCULE-8882266878 [0,0,0,0,1,0|1,1,1]=4 1419 B6R1.2 SC1=CSC=C1 MCULE-8930005512 [0,0,0,0,1,0|1,1,1]=4 1420 B6R1.2 SC1=NCCO1 MCULE-6684545723 [0,0,0,0,1,0|2,1,0]=4 1421 B6R1.2 SC1=NCCS1 MCULE-6840772268 [0,0,0,0,1,0|2,1,0]=4 1422 B6R1.2 SC1CCCC1 MCULE-5932400506 [0,0,0,0,1,0|0,1,2]=4 1423 B6R1.2 [TlH2]C1=CC=CC1 MCULE-7402896981 [0,0,0,0,1,0|1,0,1]=3 1424 B8R1.22 BrC1=CCCCCC1 MCULE-1629255872 [0,0,0,0,0,1|1,0,1]=3 1425 B8R1.22 BrC1C=CCCCC1 MCULE-3305569927 [0,0,0,0,0,1|1,0,1]=3 1426 B8R1.22 C=C1CCCNCC1 MCULE-2798255197 [0,0,0,0,0,1|1,0,2]=4 1427 B8R1.22 C=C1CCCNCC1 MCULE-4874852480 [0,0,0,0,0,1|1,0,2]=4 1428 B8R1.22 C=C1CNCCOC1 MCULE-6114191545 [0,0,0,0,0,1|2,0,1]=4 1429 B8R1.22 C=C1CNCCOC1 MCULE-6722705565 [0,0,0,0,0,1|2,0,1]=4 1430 B8R1.22 C=C1COCCOC1 MCULE-3194930888 [0,0,0,0,0,1|2,0,1]=4 1431 B8R1.22 C=C1OCCCCO1 MCULE-8283334358 [0,0,0,0,0,1|2,0,1]=4 1432 B8R1.22 NC1=NCCCCC1 MCULE-2757008672 [0,0,0,0,0,1|1,0,2]=4 1433 B8R1.22 NC1=NCCCCC1 MCULE-7781415779 [0,0,0,0,0,1|1,0,2]=4 1434 B8R1.22 NC1C=CCCCC1 MCULE-4893389838 [0,0,0,0,0,1|1,0,1]=3 1435 B8R1.22 O=C1C=CC=CC=C1 MCULE-5628531135 [0,0,0,0,0,1|0,0,3]=4 1436 B8R1.22 O=C1C=CCCCC1 MCULE-5281461360 [0,0,0,0,0,1|0,0,0]=1 1437 B8R1.22 O=C1C=CCCCN1 MCULE-6257739832 [0,0,0,0,0,1|0,0,0]=1 1438 B8R1.22 O=C1CCC=CCC1 MCULE-5704984437 [0,0,0,0,0,1|0,0,2]=3 1439 B8R1.22 O=C1CCCCCC1 MCULE-3507111924 [0,0,0,0,0,1|0,0,2]=3 1440 B8R1.22 O=C1CCCCCN1 MCULE-4544579564 [0,0,0,0,0,1|0,0,2]=3 1441 B8R1.22 O=C1CCCCCO1 MCULE-3051096014 [0,0,0,0,0,1|0,0,2]=3 1442 B8R1.22 O=C1CCCCNC1 MCULE-8257380915 [0,0,0,0,0,1|0,0,2]=3 1443 B8R1.22 O=C1CCCCNC1 MCULE-8344538815 [0,0,0,0,0,1|0,0,2]=3 1444 B8R1.22 O=C1CCCNCC1 MCULE-3201401906 [0,0,0,0,0,1|0,0,2]=3 1445 B8R1.22 O=C1CCCNCC1 MCULE-8264253371 [0,0,0,0,0,1|0,0,2]=3 1446 B8R1.22 O=C1CCCOCC1 MCULE-9595066384 [0,0,0,0,0,1|0,0,2]=3 1447 B8R1.22 O=C1CCCSCC1 MCULE-9359592851 [0,0,0,0,0,1|0,0,2]=3 1448 B8R1.22 O=C1CCNCCN1 MCULE-1678306131 [0,0,0,0,0,1|1,0,1]=3 1449 B8R1.22 O=C1CCNCCN1 MCULE-1867860146 [0,0,0,0,0,1|1,0,1]=3 1450 B8R1.22 O=C1CCOCCN1 MCULE-6881734685 [0,0,0,0,0,1|1,0,1]=3 1451 B8R1.22 O=C1CCOCCO1 MCULE-1433837187 [0,0,0,0,0,1|1,0,1]=3 1452 B8R1.22 O=C1CCSCCN1 MCULE-9445131358 [0,0,0,0,0,1|1,0,1]=3 1453 B8R1.22 O=C1CNCCCN1 MCULE-6106237928 [0,0,0,0,0,1|1,0,1]=3 1454 B8R1.22 O=C1CNCCCN1 MCULE-9943393784 [0,0,0,0,0,1|1,0,1]=3 1455 B8R1.22 O=C1CNCCNC1 MCULE-2450825992 [0,0,0,0,0,1|1,0,1]=3 1456 B8R1.22 O=C1CNCCNC1 MCULE-7379420394 [0,0,0,0,0,1|1,0,1]=3 1457 B8R1.22 O=C1CNCCOC1 MCULE-7546546158 [0,0,0,0,0,1|1,0,1]=3 1458 B8R1.22 O=C1CNCCOC1 MCULE-9183427962 [0,0,0,0,0,1|1,0,1]=3 1459 B8R1.22 O=C1COCCCN1 MCULE-1471963909 [0,0,0,0,0,1|1,0,1]=3 1460 B8R1.22 O=C1COCCOC1 MCULE-4481438739 [0,0,0,0,0,1|1,0,1]=3 1461 B8R1.22 O=C1CSCCSC1 MCULE-5039848738 [0,0,0,0,0,1|1,0,1]=3 1462 B8R1.22 O=C1OCCCCO1 MCULE-1107419276 [0,0,0,0,0,1|1,0,1]=3 1463 B8R1.22 O=S1CCCNCC1 MCULE-1954952183 [0,0,0,0,0,1|1,0,2]=4 1464 B8R1.22 O=S1CCCNCC1 MCULE-2035316359 [0,0,0,0,0,1|1,0,2]=4 1465 B8R1.22 O=S1OCCCCO1 MCULE-6898726705 [0,0,0,0,0,1|2,0,1]=4 1466 B8R1.22 S=C1CCCCCN1 MCULE-6573611309 [0,0,0,0,0,1|0,1,2]=4 1467 B8R1.22 S=C1NCCCCN1 MCULE-5312414479 [0,0,0,0,0,1|1,1,1]=4 1468 B5R0.1 C/C(=C/CI)/I MCULE-4907089043 [1,0,1,0,0,0|2,0,0]=4 1469 B5R0.1 C/C(=C/CN)/Cl MCULE-1091573118 [1,0,1,0,0,0|2,0,0]=4 1470 B5R0.1 C/C(=C/CN)/Cl MCULE-8112023611 [1,0,1,0,0,0|2,0,0]=4 1471 B5R0.1 C/C(=C\CCl)/Cl MCULE-6679259233 [1,0,1,0,0,0|2,0,0]=4 1472 B5R0.1 C/C=C/C(=O)C MCULE-2109656516 [1,0,1,0,0,0|0,0,0]=2 1473 B5R0.1 C/C=C/C(=O)Cl MCULE-8378824386 [1,0,1,0,0,0|1,0,0]=3 1474 B5R0.1 C/C=C/C(=O)N MCULE-2532228624 [1,0,1,0,0,0|1,0,0]=3 1475 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [1,0,1,0,0,0|1,0,0]=3 1476 B5R0.1 C/C=C/C(C)C MCULE-8705863155 [1,0,1,0,0,0|1,0,1]=4 1477 B5R0.1 C/C=C/C(C)O MCULE-3191147789 [1,0,1,0,0,0|0,0,2]=4 1478 B5R0.1 C=C(Br)CCBr MCULE-7638627279 [1,0,1,0,0,0|2,0,0]=4 1479 B5R0.1 C=C(Br)CCO MCULE-3743908958 [1,0,1,0,0,0|2,0,0]=4 1480 B5R0.1 C=C(Br)COC MCULE-5349428431 [1,0,1,0,0,0|2,0,0]=4 1481 B5R0.1 C=C(C)CCBr MCULE-3439794005 [1,0,1,0,0,0|2,0,0]=4 1482 B5R0.1 C=C(C)CCC MCULE-8225129744 [1,0,1,0,0,0|1,0,0]=3 1483 B5R0.1 C=C(C)CCCl MCULE-2816016781 [1,0,1,0,0,0|2,0,0]=4 1484 B5R0.1 C=C(C)CCI MCULE-6317205481 [1,0,1,0,0,0|2,0,0]=4 1485 B5R0.1 C=C(C)CCN MCULE-4037025602 [1,0,1,0,0,0|2,0,0]=4 1486 B5R0.1 C=C(C)CCN MCULE-5001503744 [1,0,1,0,0,0|2,0,0]=4 1487 B5R0.1 C=C(C)CCO MCULE-2689800711 [1,0,1,0,0,0|2,0,0]=4 1488 B5R0.1 C=C(C)CNC MCULE-6783886553 [1,0,1,0,0,0|2,0,0]=4 1489 B5R0.1 C=C(C)CNC MCULE-8292313282 [1,0,1,0,0,0|2,0,0]=4 1490 B5R0.1 C=C(C)OCC MCULE-5303468686 [1,0,1,0,0,0|2,0,0]=4 1491 B5R0.1 C=CC=C(C)C MCULE-7590870659 [1,0,1,0,0,0|1,0,1]=4 1492 B5R0.1 C=CCC(=C)C MCULE-6294070836 [1,0,1,0,0,0|1,0,1]=4 1493 B5R0.1 C=CCC(=O)Cl MCULE-6033189203 [1,0,1,0,0,0|1,0,1]=4 1494 B5R0.1 C=CCC(=O)N MCULE-1205335257 [1,0,1,0,0,0|1,0,1]=4 1495 B5R0.1 C=CCC(=O)O MCULE-6288979337 [1,0,1,0,0,0|1,0,1]=4 1496 B5R0.1 C=CNC(=O)C MCULE-1260296806 [1,0,1,0,0,0|1,0,1]=4 1497 B5R0.1 C=COC(=O)C MCULE-7626795765 [1,0,1,0,0,0|1,0,1]=4 1498 B5R0.1 C=NCC(=O)N MCULE-7609497329 [1,0,1,0,0,0|2,0,0]=4 1499 B5R0.1 CC#CC(=O)C MCULE-4083248904 [1,0,1,0,0,0|0,0,2]=4 1500 B5R0.1 CC(=CC=O)C MCULE-7002222435 [1,0,1,0,0,0|2,0,0]=4 1501 B5R0.1 CC(=CC=O)Cl MCULE-2279693190 [1,0,1,0,0,0|2,0,0]=4 1502 B5R0.1 CC(=CC=O)N MCULE-2659507627 [1,0,1,0,0,0|2,0,0]=4 1503 B5R0.1 CC(=CCBr)C MCULE-7961276795 [1,0,1,0,0,0|2,0,0]=4 1504 B5R0.1 CC(=CCCl)C MCULE-1110417103 [1,0,1,0,0,0|2,0,0]=4 1505 B5R0.1 CC(=CCCl)Cl MCULE-9735045489 [1,0,1,0,0,0|2,0,0]=4 1506 B5R0.1 CC(=CCI)I MCULE-4204968539 [1,0,1,0,0,0|2,0,0]=4 1507 B5R0.1 CC(=CCN)C MCULE-7220252581 [1,0,1,0,0,0|2,0,0]=4 1508 B5R0.1 CC(=CCN)C MCULE-8394581250 [1,0,1,0,0,0|2,0,0]=4 1509 B5R0.1 CC(=CCN)Cl MCULE-1749173363 [1,0,1,0,0,0|2,0,0]=4 1510 B5R0.1 CC(=CCN)Cl MCULE-5722512850 [1,0,1,0,0,0|2,0,0]=4 1511 B5R0.1 CC(=CCO)C MCULE-3984123588 [1,0,1,0,0,0|2,0,0]=4 1512 B5R0.1 CC(=CCO)Cl MCULE-6459066496 [1,0,1,0,0,0|2,0,0]=4 1513 B5R0.1 CC(=CCO)I MCULE-4600854759 [1,0,1,0,0,0|2,0,0]=4 1514 B5R0.1 CC(=CCS)C MCULE-4180446913 [1,0,1,0,0,0|2,0,0]=4 1515 B5R0.1 CC(=O)/C=N/O MCULE-5424156575 [1,0,1,0,0,0|2,0,0]=4 1516 B5R0.1 CC(=O)/C=N\O MCULE-9083768531 [1,0,1,0,0,0|2,0,0]=4 1517 B5R0.1 CC(=O)C=C=O MCULE-4335598177 [1,0,1,0,0,0|1,0,1]=4 1518 B5R0.1 CC(=O)C=NO MCULE-5513006918 [1,0,1,0,0,0|2,0,0]=4 1519 B5R0.1 CC(=O)CCBr MCULE-2615300206 [1,0,1,0,0,0|1,0,1]=4 1520 B5R0.1 CC(=O)CCCl MCULE-8019748964 [1,0,1,0,0,0|1,0,1]=4 1521 B5R0.1 CC(=O)CCN MCULE-7550348751 [1,0,1,0,0,0|1,0,1]=4 1522 B5R0.1 CC(=O)CCN MCULE-9519063810 [1,0,1,0,0,0|1,0,1]=4 1523 B5R0.1 CC(=O)CCO MCULE-6328537335 [1,0,1,0,0,0|1,0,1]=4 1524 B5R0.1 CC(=O)NCO MCULE-4563335540 [1,0,1,0,0,0|2,0,0]=4 1525 B5R0.1 CC(=O)OCBr MCULE-9842804945 [1,0,1,0,0,0|2,0,0]=4 1526 B5R0.1 CC(=O)OCCl MCULE-6822222026 [1,0,1,0,0,0|2,0,0]=4 1527 B5R0.1 CC(=O)SCBr MCULE-9794607323 [1,0,1,0,0,0|2,0,0]=4 1528 B5R0.1 CC=CC(=O)C MCULE-4826977340 [1,0,1,0,0,0|0,0,0]=2 1529 B5R0.1 CC=CC(=O)Cl MCULE-2747622237 [1,0,1,0,0,0|1,0,0]=3 1530 B5R0.1 CC=CC(=O)N MCULE-9693879476 [1,0,1,0,0,0|1,0,0]=3 1531 B5R0.1 CC=CC(=O)O MCULE-7970410217 [1,0,1,0,0,0|1,0,0]=3 1532 B5R0.1 CC=CC(C)C MCULE-9898453837 [1,0,1,0,0,0|1,0,1]=4 1533 B5R0.1 CC=CC(C)O MCULE-4806592836 [1,0,1,0,0,0|0,0,2]=4 1534 B5R0.1 CC=C[N+](=O)[O-] MCULE-2987135481 [1,0,1,0,0,0|2,0,0]=4 1535 B5R0.1 CCC=C(C)C MCULE-2405063894 [1,0,1,0,0,0|1,0,0]=3 1536 B5R0.1 CCC=C(F)F MCULE-5180612061 [1,0,1,0,0,0|2,0,0]=4 1537 B5R0.1 CCCC(=N)N MCULE-5974105638 [1,0,1,0,0,0|2,0,0]=4 1538 B5R0.1 CCCC(=N)N MCULE-9230704591 [1,0,1,0,0,0|2,0,0]=4 1539 B5R0.1 CCCC(=O)C MCULE-7174095676 [1,0,1,0,0,0|0,0,1]=3 1540 B5R0.1 CCCC(=O)Cl MCULE-3288175193 [1,0,1,0,0,0|1,0,0]=3 1541 B5R0.1 CCCC(=O)N MCULE-2712067671 [1,0,1,0,0,0|1,0,0]=3 1542 B5R0.1 CCCC(=O)O MCULE-4116382006 [1,0,1,0,0,0|1,0,0]=3 1543 B5R0.1 CCCC(=O)[O-] MCULE-8706538802 [1,0,1,0,0,0|1,0,0]=3 1544 B5R0.1 CCCC(=O)[O-] MCULE-9764702574 [1,0,1,0,0,0|1,0,0]=3 1545 B5R0.1 CCCC(=S)N MCULE-3529335988 [1,0,1,0,0,0|1,1,0]=4 1546 B5R0.1 CCCC(=S)O MCULE-3382199964 [1,0,1,0,0,0|1,0,1]=4 1547 B5R0.1 CCCN(=O)=O MCULE-5615753372 [1,0,1,0,0,0|2,0,0]=4 1548 B5R0.1 CCCS(=O)[O-] MCULE-4306915022 [1,0,1,0,0,0|2,0,0]=4 1549 B5R0.1 CCCS(=O)[O-] MCULE-9775151913 [1,0,1,0,0,0|2,0,0]=4 1550 B5R0.1 CCNC(=O)C MCULE-7543656350 [1,0,1,0,0,0|1,0,0]=3 1551 B5R0.1 CCNC(=O)Cl MCULE-5831262934 [1,0,1,0,0,0|2,0,0]=4 1552 B5R0.1 CCNC(=O)N MCULE-1913599861 [1,0,1,0,0,0|2,0,0]=4 1553 B5R0.1 CCOC(=N)C MCULE-3060267072 [1,0,1,0,0,0|2,0,0]=4 1554 B5R0.1 CCOC(=N)C MCULE-3943786182 [1,0,1,0,0,0|2,0,0]=4 1555 B5R0.1 CCOC(=O)C MCULE-6628539781 [1,0,1,0,0,0|1,0,0]=3 1556 B5R0.1 CCOC(=O)Cl MCULE-4167904934 [1,0,1,0,0,0|2,0,0]=4 1557 B5R0.1 CCOC(=O)N MCULE-1776877276 [1,0,1,0,0,0|2,0,0]=4 1558 B5R0.1 CCOC(=S)C MCULE-3358897597 [1,0,1,0,0,0|1,1,0]=4 1559 B5R0.1 CCSC(=O)C MCULE-8015440229 [1,0,1,0,0,0|1,0,0]=3 1560 B5R0.1 CCSC(=S)C MCULE-1502137460 [1,0,1,0,0,0|1,1,0]=4 1561 B5R0.1 CNCC(=O)C MCULE-3695443024 [1,0,1,0,0,0|1,0,1]=4 1562 B5R0.1 CNCC(=O)C MCULE-7402723072 [1,0,1,0,0,0|1,0,1]=4 1563 B5R0.1 CNCC(=O)N MCULE-2328887394 [1,0,1,0,0,0|2,0,0]=4 1564 B5R0.1 CNCC(=O)N MCULE-3031605853 [1,0,1,0,0,0|2,0,0]=4 1565 B5R0.1 CNCC(=O)N MCULE-7300977677 [1,0,1,0,0,0|2,0,0]=4 1566 B5R0.1 CNCC(=O)O MCULE-3448356048 [1,0,1,0,0,0|2,0,0]=4 1567 B5R0.1 CNCC(=O)O MCULE-4484444573 [1,0,1,0,0,0|2,0,0]=4 1568 B5R0.1 CNCC(=O)[O-] MCULE-7993701866 [1,0,1,0,0,0|2,0,0]=4 1569 B5R0.1 CNOC(=O)C MCULE-1464426541 [1,0,1,0,0,0|2,0,0]=4 1570 B5R0.1 CNOC(=O)C MCULE-2976282666 [1,0,1,0,0,0|2,0,0]=4 1571 B5R0.1 COC=C(C)C MCULE-6348538911 [1,0,1,0,0,0|2,0,0]=4 1572 B5R0.1 COCC(=O)C MCULE-7262197587 [1,0,1,0,0,0|1,0,1]=4 1573 B5R0.1 COCC(=O)Cl MCULE-5449267495 [1,0,1,0,0,0|2,0,0]=4 1574 B5R0.1 COCC(=O)N MCULE-6674958132 [1,0,1,0,0,0|2,0,0]=4 1575 B5R0.1 COCC(=O)O MCULE-3945589151 [1,0,1,0,0,0|2,0,0]=4 1576 B5R0.1 CONC(=O)C MCULE-6601866630 [1,0,1,0,0,0|2,0,0]=4 1577 B5R0.1 CSCC(=O)C MCULE-4131794172 [1,0,1,0,0,0|1,0,1]=4 1578 B5R0.1 CSCC(=O)Cl MCULE-9750052685 [1,0,1,0,0,0|2,0,0]=4 1579 B5R0.1 CSCC(=O)N MCULE-4865579476 [1,0,1,0,0,0|2,0,0]=4 1580 B5R0.1 CSCC(=O)O MCULE-7003418159 [1,0,1,0,0,0|2,0,0]=4 1581 B5R0.1 CSNC(=O)C MCULE-7350061514 [1,0,1,0,0,0|2,0,0]=4 1582 B5R0.1 NC(=O)C=CCl MCULE-3595468874 [1,0,1,0,0,0|2,0,0]=4 1583 B5R0.1 NC(=O)CCBr MCULE-3930714776 [1,0,1,0,0,0|2,0,0]=4 1584 B5R0.1 NC(=O)CCCl MCULE-8300320959 [1,0,1,0,0,0|2,0,0]=4 1585 B5R0.1 NC(=O)CCO MCULE-4026170350 [1,0,1,0,0,0|2,0,0]=4 1586 B5R0.1 NC(=O)CCS MCULE-7451827717 [1,0,1,0,0,0|2,0,0]=4 1587 B5R0.1 NCCC(=O)Cl MCULE-1298355499 [1,0,1,0,0,0|2,0,0]=4 1588 B5R0.1 NCCC(=O)N MCULE-2899414135 [1,0,1,0,0,0|2,0,0]=4 1589 B5R0.1 NCCC(=O)N MCULE-6993286668 [1,0,1,0,0,0|2,0,0]=4 1590 B5R0.1 NCCC(=O)O MCULE-1344289084 [1,0,1,0,0,0|2,0,0]=4 1591 B5R0.1 NCCC(=O)O MCULE-2298605337 [1,0,1,0,0,0|2,0,0]=4 1592 B5R0.1 NCCC(=O)O MCULE-9375577631 [1,0,1,0,0,0|2,0,0]=4 1593 B5R0.1 NCCC(=O)[O-] MCULE-2492250086 [1,0,1,0,0,0|2,0,0]=4 1594 B5R0.1 O=C(Cl)C=CCl MCULE-7984379237 [1,0,1,0,0,0|2,0,0]=4 1595 B5R0.1 O=C(Cl)CCBr MCULE-4659506608 [1,0,1,0,0,0|2,0,0]=4 1596 B5R0.1 O=C(Cl)CCCl MCULE-3313924878 [1,0,1,0,0,0|2,0,0]=4 1597 B5R0.1 O=C(Cl)CCF MCULE-3316397790 [1,0,1,0,0,0|2,0,0]=4 1598 B5R0.1 O=C(O)/C=C/Br MCULE-7284519266 [1,0,1,0,0,0|2,0,0]=4 1599 B5R0.1 O=C(O)/C=C/Cl MCULE-1625781671 [1,0,1,0,0,0|2,0,0]=4 1600 B5R0.1 O=C(O)/C=C/I MCULE-3339607379 [1,0,1,0,0,0|2,0,0]=4 1601 B5R0.1 O=C(O)/C=C\Br MCULE-6149049313 [1,0,1,0,0,0|2,0,0]=4 1602 B5R0.1 O=C(O)/C=C\Cl MCULE-1221996674 [1,0,1,0,0,0|2,0,0]=4 1603 B5R0.1 O=C(O)/C=C\I MCULE-3065405012 [1,0,1,0,0,0|2,0,0]=4 1604 B5R0.1 O=C(O)C=CBr MCULE-2956464856 [1,0,1,0,0,0|2,0,0]=4 1605 B5R0.1 O=C(O)C=CCl MCULE-6369812151 [1,0,1,0,0,0|2,0,0]=4 1606 B5R0.1 O=C(O)C=CI MCULE-7162332129 [1,0,1,0,0,0|2,0,0]=4 1607 B5R0.1 O=C(O)CCBr MCULE-2816055853 [1,0,1,0,0,0|2,0,0]=4 1608 B5R0.1 O=C(O)CCCl MCULE-8511144183 [1,0,1,0,0,0|2,0,0]=4 1609 B5R0.1 O=C(O)CCF MCULE-4382025684 [1,0,1,0,0,0|2,0,0]=4 1610 B5R0.1 O=C(O)CCI MCULE-3371354708 [1,0,1,0,0,0|2,0,0]=4 1611 B5R0.1 O=C(O)CCO MCULE-3428604829 [1,0,1,0,0,0|2,0,0]=4 1612 B5R0.1 O=C(O)CCS MCULE-3211932163 [1,0,1,0,0,0|2,0,0]=4 1613 B5R0.1 O=C([O-])C=CCl MCULE-4750072789 [1,0,1,0,0,0|2,0,0]=4 1614 B5R0.1 O=C([O-])CCO MCULE-4429611588 [1,0,1,0,0,0|2,0,0]=4 1615 B5R0.2 C#CCCC=C MCULE-4858099861 [1,0,1,0,0,0|0,0,2]=4 1616 B5R0.2 C#CCCC=O MCULE-9994552907 [1,0,1,0,0,0|0,0,2]=4 1617 B5R0.2 C/C=C/C=C/C MCULE-9400628806 [1,0,1,0,0,0|0,0,1]=3 1618 B5R0.2 C/C=C/CCC MCULE-9851656818 [1,0,1,0,0,0|0,0,1]=3 1619 B5R0.2 C/C=C/CCO MCULE-3952855392 [1,0,1,0,0,0|1,0,1]=4 1620 B5R0.2 C/C=C/OCC MCULE-2891896400 [1,0,1,0,0,0|1,0,0]=3 1621 B5R0.2 C/C=C\CCC MCULE-1013657748 [1,0,1,0,0,0|0,0,1]=3 1622 B5R0.2 C=C/C=C/CC MCULE-5996202716 [1,0,1,0,0,0|0,0,1]=3 1623 B5R0.2 C=C=CCCBr MCULE-5561919067 [1,0,1,0,0,0|1,0,1]=4 1624 B5R0.2 C=C=CCCI MCULE-7583015374 [1,0,1,0,0,0|1,0,1]=4 1625 B5R0.2 C=C=CCCN MCULE-5814175873 [1,0,1,0,0,0|1,0,1]=4 1626 B5R0.2 C=C=CCCN MCULE-8177198091 [1,0,1,0,0,0|1,0,1]=4 1627 B5R0.2 C=C=CCCO MCULE-1054355649 [1,0,1,0,0,0|1,0,1]=4 1628 B5R0.2 C=CC/C=C/C MCULE-8732875285 [1,0,1,0,0,0|1,0,1]=4 1629 B5R0.2 C=CCC=CC MCULE-8643449832 [1,0,1,0,0,0|1,0,1]=4 1630 B5R0.2 C=CCCC#N MCULE-8967750268 [1,0,1,0,0,0|1,0,1]=4 1631 B5R0.2 C=CCCC=C MCULE-2599309974 [1,0,1,0,0,0|0,0,1]=3 1632 B5R0.2 C=CCCC=O MCULE-7850336174 [1,0,1,0,0,0|0,0,0]=2 1633 B5R0.2 C=CCCCBr MCULE-5027518679 [1,0,1,0,0,0|1,0,0]=3 1634 B5R0.2 C=CCCCC MCULE-4750698031 [1,0,1,0,0,0|0,0,1]=3 1635 B5R0.2 C=CCCCCl MCULE-3877430809 [1,0,1,0,0,0|1,0,0]=3 1636 B5R0.2 C=CCCCI MCULE-8692831514 [1,0,1,0,0,0|1,0,0]=3 1637 B5R0.2 C=CCCCN MCULE-5787926547 [1,0,1,0,0,0|1,0,0]=3 1638 B5R0.2 C=CCCCN MCULE-7346989227 [1,0,1,0,0,0|1,0,0]=3 1639 B5R0.2 C=CCCCO MCULE-5946342321 [1,0,1,0,0,0|0,0,1]=3 1640 B5R0.2 C=CCCNC MCULE-2124263362 [1,0,1,0,0,0|1,0,1]=4 1641 B5R0.2 C=CCCNC MCULE-5024925990 [1,0,1,0,0,0|1,0,1]=4 1642 B5R0.2 C=CCCOC MCULE-4681354270 [1,0,1,0,0,0|1,0,1]=4 1643 B5R0.2 C=CCCON MCULE-3476228435 [1,0,1,0,0,0|2,0,0]=4 1644 B5R0.2 C=CCCON MCULE-9206052895 [1,0,1,0,0,0|2,0,0]=4 1645 B5R0.2 C=CCN=C=O MCULE-3142552406 [1,0,1,0,0,0|1,0,1]=4 1646 B5R0.2 C=CCNC=O MCULE-1911798514 [1,0,1,0,0,0|1,0,0]=3 1647 B5R0.2 C=CCNCC MCULE-6987567673 [1,0,1,0,0,0|1,0,1]=4 1648 B5R0.2 C=CCNCC MCULE-8318544337 [1,0,1,0,0,0|1,0,1]=4 1649 B5R0.2 C=CCOC=C MCULE-7085070702 [1,0,1,0,0,0|1,0,1]=4 1650 B5R0.2 C=CCOC=O MCULE-4161785970 [1,0,1,0,0,0|1,0,0]=3 1651 B5R0.2 C=CCOCC MCULE-4363356618 [1,0,1,0,0,0|1,0,1]=4 1652 B5R0.2 C=CCOCCl MCULE-6656252526 [1,0,1,0,0,0|2,0,0]=4 1653 B5R0.2 C=CCSCC MCULE-3816911529 [1,0,1,0,0,0|1,0,1]=4 1654 B5R0.2 C=COCCC MCULE-4423853666 [1,0,1,0,0,0|1,0,0]=3 1655 B5R0.2 C=COCCCl MCULE-7782311030 [1,0,1,0,0,0|2,0,0]=4 1656 B5R0.2 C=COCCN MCULE-8052872924 [1,0,1,0,0,0|2,0,0]=4 1657 B5R0.2 C=COCCN MCULE-8496820259 [1,0,1,0,0,0|2,0,0]=4 1658 B5R0.2 C=COCCO MCULE-9383372818 [1,0,1,0,0,0|1,0,1]=4 1659 B5R0.2 CC/C=C/C=O MCULE-5102906061 [1,0,1,0,0,0|0,0,0]=2 1660 B5R0.2 CC/C=C/CC MCULE-6762040186 [1,0,1,0,0,0|0,0,1]=3 1661 B5R0.2 CC/C=C\C#N MCULE-2648641382 [1,0,1,0,0,0|1,0,1]=4 1662 B5R0.2 CC/C=C\CC MCULE-9418110460 [1,0,1,0,0,0|0,0,1]=3 1663 B5R0.2 CC/C=C\CO MCULE-5480473249 [1,0,1,0,0,0|0,0,2]=4 1664 B5R0.2 CC=CC=CC MCULE-7702675183 [1,0,1,0,0,0|0,0,1]=3 1665 B5R0.2 CC=CCCBr MCULE-7329159278 [1,0,1,0,0,0|1,0,1]=4 1666 B5R0.2 CC=CCCC MCULE-8736231124 [1,0,1,0,0,0|0,0,1]=3 1667 B5R0.2 CC=CCCN MCULE-5129102475 [1,0,1,0,0,0|1,0,1]=4 1668 B5R0.2 CC=CCCN MCULE-8500001929 [1,0,1,0,0,0|1,0,1]=4 1669 B5R0.2 CC=CCCO MCULE-4302367089 [1,0,1,0,0,0|1,0,1]=4 1670 B5R0.2 CC=COCC MCULE-1473170404 [1,0,1,0,0,0|1,0,0]=3 1671 B5R0.2 CC=CSSC MCULE-2442770677 [1,0,1,0,0,0|2,0,0]=4 1672 B5R0.2 CCC#CC=O MCULE-3889262436 [1,0,1,0,0,0|0,0,2]=4 1673 B5R0.2 CCC=CC#N MCULE-1091834842 [1,0,1,0,0,0|1,0,1]=4 1674 B5R0.2 CCC=CC=O MCULE-1318250395 [1,0,1,0,0,0|0,0,0]=2 1675 B5R0.2 CCC=CCBr MCULE-5326763881 [1,0,1,0,0,0|1,0,1]=4 1676 B5R0.2 CCC=CCC MCULE-5435957422 [1,0,1,0,0,0|0,0,1]=3 1677 B5R0.2 CCC=CCO MCULE-5633399984 [1,0,1,0,0,0|0,0,2]=4 1678 B5R0.2 CCCC=NO MCULE-7364375780 [1,0,1,0,0,0|1,0,1]=4 1679 B5R0.2 CCCCC=O MCULE-4736782822 [1,0,1,0,0,0|0,0,1]=3 1680 B5R0.2 CCCN=C=O MCULE-9014468293 [1,0,1,0,0,0|1,0,1]=4 1681 B5R0.2 CCCNC=O MCULE-6344556391 [1,0,1,0,0,0|1,0,0]=3 1682 B5R0.2 CCCOC=O MCULE-3133604529 [1,0,1,0,0,0|1,0,0]=3 1683 B5R0.2 CCO/C=C\Br MCULE-7396084973 [1,0,1,0,0,0|2,0,0]=4 1684 B5R0.2 CCOC=CBr MCULE-5241125671 [1,0,1,0,0,0|2,0,0]=4 1685 B5R0.2 CCSCC=O MCULE-8069035019 [1,0,1,0,0,0|1,0,1]=4 1686 B5R0.2 COCCC=O MCULE-2812117208 [1,0,1,0,0,0|1,0,1]=4 1687 B5R0.2 CSCCC=O MCULE-6273241704 [1,0,1,0,0,0|1,0,1]=4 1688 B5R0.2 N#CCCC=O MCULE-9521735106 [1,0,1,0,0,0|1,0,1]=4 1689 B5R0.2 O=CCCC=O MCULE-3362810468 [1,0,1,0,0,0|1,0,0]=3 1690 B5R0.2 O=CCCC=O MCULE-3813951568 [1,0,1,0,0,0|1,0,0]=3 1691 B5R0.2 O=CCCCBr MCULE-7239613396 [1,0,1,0,0,0|1,0,0]=3 1692 B5R0.2 O=CCCCCl MCULE-3011225716 [1,0,1,0,0,0|1,0,0]=3 1693 B5R0.2 O=CCCCI MCULE-3153720790 [1,0,1,0,0,0|1,0,0]=3 1694 B5R0.2 O=CCCCO MCULE-8728420992 [1,0,1,0,0,0|1,0,0]=3 1695 B5R0.2 O=CNCCO MCULE-3688614090 [1,0,1,0,0,0|2,0,0]=4 1696 B5R0.2 O=COCCO MCULE-1922672843 [1,0,1,0,0,0|2,0,0]=4 1697 B5R0.2 OC=CCCBr MCULE-3964604828 [1,0,1,0,0,0|1,0,1]=4 1698 B5R0.2 OC=CCCBr MCULE-5728835735 [1,0,1,0,0,0|1,0,1]=4 1699 B5R0.3 C#CC(=O)CC MCULE-1563732373 [1,0,1,0,0,0|0,0,2]=4 1700 B5R0.3 C/C=C(/C)\CC MCULE-9789907985 [1,0,1,0,0,0|1,0,0]=3 1701 B5R0.3 C/C=C(\C)/CC MCULE-7119786881 [1,0,1,0,0,0|1,0,0]=3 1702 B5R0.3 C=C(C=O)CC MCULE-2875154067 [1,0,1,0,0,0|2,0,0]=4 1703 B5R0.3 C=C(CC)CC MCULE-9174509622 [1,0,1,0,0,0|1,0,1]=4 1704 B5R0.3 C=C/C(=C/C)/C MCULE-6445909882 [1,0,1,0,0,0|1,0,1]=4 1705 B5R0.3 C=CC(=CC)C MCULE-8585683674 [1,0,1,0,0,0|1,0,1]=4 1706 B5R0.3 C=CC(=O)C=C MCULE-8555160354 [1,0,1,0,0,0|0,0,2]=4 1707 B5R0.3 C=CC(=O)CC MCULE-7277696617 [1,0,1,0,0,0|0,0,0]=2 1708 B5R0.3 C=CC(=O)NC MCULE-5619481947 [1,0,1,0,0,0|1,0,0]=3 1709 B5R0.3 C=CC(=O)NN MCULE-4327484127 [1,0,1,0,0,0|2,0,0]=4 1710 B5R0.3 C=CC(=O)NN MCULE-4961696321 [1,0,1,0,0,0|2,0,0]=4 1711 B5R0.3 C=CC(=O)NO MCULE-9528737042 [1,0,1,0,0,0|2,0,0]=4 1712 B5R0.3 C=CC(=O)OC MCULE-6010665978 [1,0,1,0,0,0|1,0,0]=3 1713 B5R0.3 C=CC(C)CC MCULE-8112547661 [1,0,1,0,0,0|1,0,1]=4 1714 B5R0.3 C=CC(N)CC MCULE-6270835453 [1,0,1,0,0,0|1,0,1]=4 1715 B5R0.3 C=CC(N)CC MCULE-7920121163 [1,0,1,0,0,0|1,0,1]=4 1716 B5R0.3 C=CC(O)CC MCULE-2794806228 [1,0,1,0,0,0|0,0,2]=4 1717 B5R0.3 CC=C(C)CC MCULE-5790494157 [1,0,1,0,0,0|1,0,0]=3 1718 B5R0.3 CC=C(C)CCl MCULE-2444762050 [1,0,1,0,0,0|2,0,0]=4 1719 B5R0.3 CCC(=N)OC MCULE-4123543795 [1,0,1,0,0,0|2,0,0]=4 1720 B5R0.3 CCC(=N)OC MCULE-5346320805 [1,0,1,0,0,0|2,0,0]=4 1721 B5R0.3 CCC(=O)CBr MCULE-7825573294 [1,0,1,0,0,0|1,0,1]=4 1722 B5R0.3 CCC(=O)CC MCULE-8236549739 [1,0,1,0,0,0|0,0,1]=3 1723 B5R0.3 CCC(=O)CCl MCULE-9019890380 [1,0,1,0,0,0|1,0,1]=4 1724 B5R0.3 CCC(=O)CN MCULE-1863418812 [1,0,1,0,0,0|1,0,1]=4 1725 B5R0.3 CCC(=O)CN MCULE-5831164340 [1,0,1,0,0,0|1,0,1]=4 1726 B5R0.3 CCC(=O)CO MCULE-8674894820 [1,0,1,0,0,0|1,0,1]=4 1727 B5R0.3 CCC(=O)NC MCULE-5612060170 [1,0,1,0,0,0|1,0,0]=3 1728 B5R0.3 CCC(=O)NN MCULE-1803705917 [1,0,1,0,0,0|2,0,0]=4 1729 B5R0.3 CCC(=O)NO MCULE-1033164448 [1,0,1,0,0,0|2,0,0]=4 1730 B5R0.3 CCC(=O)OC MCULE-7384824725 [1,0,1,0,0,0|1,0,0]=3 1731 B5R0.3 CCC(=O)SC MCULE-9712192191 [1,0,1,0,0,0|1,0,0]=3 1732 B5R0.3 CCP(=O)CC MCULE-2216184595 [1,0,1,0,0,0|1,0,1]=4 1733 B5R0.3 CCS(=O)CC MCULE-5102735179 [1,0,1,0,0,0|1,0,1]=4 1734 B5R0.3 CNC(=O)CBr MCULE-1439209307 [1,0,1,0,0,0|2,0,0]=4 1735 B5R0.3 CNC(=O)CCl MCULE-1437904095 [1,0,1,0,0,0|2,0,0]=4 1736 B5R0.3 CNC(=O)CI MCULE-1687694185 [1,0,1,0,0,0|2,0,0]=4 1737 B5R0.3 CNC(=O)CN MCULE-1901033297 [1,0,1,0,0,0|2,0,0]=4 1738 B5R0.3 CNC(=O)CN MCULE-8532774234 [1,0,1,0,0,0|2,0,0]=4 1739 B5R0.3 CNC(=O)CO MCULE-5899226107 [1,0,1,0,0,0|2,0,0]=4 1740 B5R0.3 CNC(=O)CS MCULE-7032391129 [1,0,1,0,0,0|2,0,0]=4 1741 B5R0.3 CNC(=O)NC MCULE-5319497155 [1,0,1,0,0,0|2,0,0]=4 1742 B5R0.3 CNC(=O)OC MCULE-1162861376 [1,0,1,0,0,0|2,0,0]=4 1743 B5R0.3 COC(=O)C=O MCULE-2685327079 [1,0,1,0,0,0|2,0,0]=4 1744 B5R0.3 COC(=O)CBr MCULE-2684954408 [1,0,1,0,0,0|2,0,0]=4 1745 B5R0.3 COC(=O)CCl MCULE-5886832940 [1,0,1,0,0,0|2,0,0]=4 1746 B5R0.3 COC(=O)CF MCULE-4367430175 [1,0,1,0,0,0|2,0,0]=4 1747 B5R0.3 COC(=O)CI MCULE-9545584156 [1,0,1,0,0,0|2,0,0]=4 1748 B5R0.3 COC(=O)CN MCULE-7462799100 [1,0,1,0,0,0|2,0,0]=4 1749 B5R0.3 COC(=O)CN MCULE-8887061469 [1,0,1,0,0,0|2,0,0]=4 1750 B5R0.3 COC(=O)CO MCULE-8734582763 [1,0,1,0,0,0|2,0,0]=4 1751 B5R0.3 COC(=O)CS MCULE-3020830180 [1,0,1,0,0,0|2,0,0]=4 1752 B5R0.3 COC(=O)OC MCULE-7488725621 [1,0,1,0,0,0|2,0,0]=4 1753 B5R0.3 CSC(=O)SC MCULE-7167992573 [1,0,1,0,0,0|2,0,0]=4 1754 B5R0.3 O=CC(=O)CO MCULE-7273475675 [1,0,1,0,0,0|2,0,0]=4 1755 B7R0.2 C=CC(=O)C=C(C)C MCULE-3761351531 [0,1,1,0,0,0|0,0,2]=4 1756 B7R0.2 C=CC(=O)CC(C)C MCULE-2912404970 [0,1,1,0,0,0|0,0,0]=2 1757 B7R0.2 C=CC(=O)NC(C)C MCULE-1145721543 [0,1,1,0,0,0|1,0,0]=3 1758 B7R0.2 C=CC(=O)OC(C)C MCULE-8852781082 [0,1,1,0,0,0|1,0,0]=3 1759 B7R0.2 C=CC(C)CC(C)C MCULE-9111388336 [0,1,1,0,0,0|1,0,1]=4 1760 B7R0.2 C=CC(O)CC(C)C MCULE-7389371130 [0,1,1,0,0,0|0,0,2]=4 1761 B7R0.2 CC(=O)NC(=O)CBr MCULE-3222708274 [0,1,1,0,0,0|2,0,0]=4 1762 B7R0.2 CC(C)CC(=O)C#N MCULE-7628756423 [0,1,1,0,0,0|1,0,1]=4 1763 B7R0.2 CC(C)CC(=O)CBr MCULE-3556695745 [0,1,1,0,0,0|1,0,1]=4 1764 B7R0.2 CC(C)CC(=O)CCl MCULE-6858533367 [0,1,1,0,0,0|1,0,1]=4 1765 B7R0.2 CC(C)CC(=O)CN MCULE-2435223768 [0,1,1,0,0,0|1,0,1]=4 1766 B7R0.2 CC(C)CC(=O)CN MCULE-7131454463 [0,1,1,0,0,0|1,0,1]=4 1767 B7R0.2 CC(C)CC(=O)NN MCULE-7719387931 [0,1,1,0,0,0|2,0,0]=4 1768 B7R0.2 CC(O)CC(=O)NN MCULE-2521784411 [0,1,1,0,0,0|2,0,0]=4 1769 B7R0.2 CCC(=CC(=O)O)C MCULE-3864767099 [0,1,1,0,0,0|2,0,0]=4 1770 B7R0.2 CCC(=CC(C)C)C MCULE-7337557698 [0,1,1,0,0,0|1,0,1]=4 1771 B7R0.2 CCC(=O)CC(=O)C MCULE-1892470405 [0,1,1,0,0,0|0,0,1]=3 1772 B7R0.2 CCC(=O)CC(=O)O MCULE-1083768149 [0,1,1,0,0,0|1,0,1]=4 1773 B7R0.2 CCC(=O)CC(C)C MCULE-8378320990 [0,1,1,0,0,0|0,0,2]=4 1774 B7R0.2 CCC(=O)NC(=S)N MCULE-7487842736 [0,1,1,0,0,0|2,0,0]=4 1775 B7R0.2 CCC(=O)NC(C)C MCULE-3565002235 [0,1,1,0,0,0|1,0,1]=4 1776 B7R0.2 CCC(=O)OC(=O)C MCULE-8264492254 [0,1,1,0,0,0|1,0,0]=3 1777 B7R0.2 CCC(=O)OC(C)C MCULE-6546381101 [0,1,1,0,0,0|1,0,1]=4 1778 B7R0.2 CNC(=CC(=O)C)C MCULE-1943688292 [0,1,1,0,0,0|2,0,0]=4 1779 B7R0.2 CNC(=O)CC(=O)C MCULE-4316009681 [0,1,1,0,0,0|1,0,1]=4 1780 B7R0.2 CNC(=O)CC(C)C MCULE-2303112628 [0,1,1,0,0,0|1,0,1]=4 1781 B7R0.2 CNC(=O)CC(C)N MCULE-7773306348 [0,1,1,0,0,0|1,0,1]=4 1782 B7R0.2 CNC(=O)CC(C)N MCULE-8658175271 [0,1,1,0,0,0|1,0,1]=4 1783 B7R0.2 CNC(=O)NC(=O)C MCULE-9100713966 [0,1,1,0,0,0|2,0,0]=4 1784 B7R0.2 COC(=CC(=O)C)C MCULE-1939113485 [0,1,1,0,0,0|2,0,0]=4 1785 B7R0.2 COC(=O)/C=C(/C)\N MCULE-2378404457 [0,1,1,0,0,0|1,0,0]=3 1786 B7R0.2 COC(=O)/C=C(\C)/N MCULE-7223502425 [0,1,1,0,0,0|1,0,0]=3 1787 B7R0.2 COC(=O)C=C(C)C MCULE-9357284649 [0,1,1,0,0,0|1,0,0]=3 1788 B7R0.2 COC(=O)C=C(C)N MCULE-8452012306 [0,1,1,0,0,0|1,0,0]=3 1789 B7R0.2 COC(=O)C=C(C)[O-] MCULE-2706789496 [0,1,1,0,0,0|1,0,0]=3 1790 B7R0.2 COC(=O)C=C(C)[O-] MCULE-4482386969 [0,1,1,0,0,0|1,0,0]=3 1791 B7R0.2 COC(=O)CC(=O)C MCULE-1265364784 [0,1,1,0,0,0|1,0,1]=4 1792 B7R0.2 COC(=O)CC(C)Br MCULE-4193147778 [0,1,1,0,0,0|1,0,1]=4 1793 B7R0.2 COC(=O)CC(C)C MCULE-2808202854 [0,1,1,0,0,0|1,0,1]=4 1794 B7R0.2 COC(=O)CC(C)Cl MCULE-2734734940 [0,1,1,0,0,0|1,0,1]=4 1795 B7R0.2 COC(=O)CC(C)N MCULE-2402304310 [0,1,1,0,0,0|1,0,1]=4 1796 B7R0.2 COC(=O)CC(C)N MCULE-3520358398 [0,1,1,0,0,0|1,0,1]=4 1797 B7R0.2 COC(=O)CC(C)N MCULE-4044567169 [0,1,1,0,0,0|1,0,1]=4 1798 B7R0.2 COC(=O)CC(C)N MCULE-5962991844 [0,1,1,0,0,0|1,0,1]=4 1799 B7R0.2 COC(=O)CC(C)O MCULE-7542131760 [0,1,1,0,0,0|1,0,1]=4 1800 B7R0.2 COC(=O)CC(C)O MCULE-7559608260 [0,1,1,0,0,0|1,0,1]=4 1801 B7R0.2 COC(=O)CC(C)S MCULE-8423856471 [0,1,1,0,0,0|1,0,1]=4 1802 B7R0.2 COC(=O)C[C@@H](C)N MCULE-1483636974 [0,1,1,0,0,0|1,0,1]=4 1803 B7R0.2 COC(=O)C[C@@H](C)N MCULE-4260923997 [0,1,1,0,0,0|1,0,1]=4 1804 B7R0.2 COC(=O)C[C@@H](C)N MCULE-6569883717 [0,1,1,0,0,0|1,0,1]=4 1805 B7R0.2 COC(=O)C[C@@H](C)N MCULE-9853158708 [0,1,1,0,0,0|1,0,1]=4 1806 B7R0.2 COC(=O)C[C@@H](C)O MCULE-1647366037 [0,1,1,0,0,0|1,0,1]=4 1807 B7R0.2 COC(=O)C[C@@H](C)O MCULE-7832771936 [0,1,1,0,0,0|1,0,1]=4 1808 B7R0.2 COC(=O)C[C@H](C)N MCULE-1385999778 [0,1,1,0,0,0|1,0,1]=4 1809 B7R0.2 COC(=O)C[C@H](C)N MCULE-1446150641 [0,1,1,0,0,0|1,0,1]=4 1810 B7R0.2 COC(=O)C[C@H](C)N MCULE-2979603570 [0,1,1,0,0,0|1,0,1]=4 1811 B7R0.2 COC(=O)C[C@H](C)N MCULE-7679126750 [0,1,1,0,0,0|1,0,1]=4 1812 B7R0.2 COC(=O)C[C@H](C)O MCULE-5154734951 [0,1,1,0,0,0|1,0,1]=4 1813 B7R0.2 COC(=O)C[C@H](C)O MCULE-7031738180 [0,1,1,0,0,0|1,0,1]=4 1814 B7R0.2 CSC(=O)CC(C)C MCULE-5433173038 [0,1,1,0,0,0|1,0,1]=4 1815 B7R0.2 O=C(C=C(Cl)Cl)CCl MCULE-5580104687 [0,1,1,0,0,0|2,0,0]=4 1816 B7R0.3 C#CCNC(=O)C=C MCULE-8230113046 [0,1,1,0,0,0|0,0,2]=4 1817 B7R0.3 C#CCOC(=O)C=C MCULE-7867773841 [0,1,1,0,0,0|0,0,2]=4 1818 B7R0.3 C/C=C/CC(=O)OC MCULE-7204157194 [0,1,1,0,0,0|1,0,0]=3 1819 B7R0.3 C=C(C=O)CCCC MCULE-4974026399 [0,1,1,0,0,0|2,0,0]=4 1820 B7R0.3 C=CC(=C)CCCO MCULE-3558306961 [0,1,1,0,0,0|1,0,0]=3 1821 B7R0.3 C=CC(=O)CCCCl MCULE-7188402172 [0,1,1,0,0,0|0,0,0]=2 1822 B7R0.3 C=CC(=O)NCCC MCULE-5704500398 [0,1,1,0,0,0|0,0,0]=2 1823 B7R0.3 C=CC(=O)NCCN MCULE-5552021639 [0,1,1,0,0,0|1,0,0]=3 1824 B7R0.3 C=CC(=O)NCCN MCULE-6417335153 [0,1,1,0,0,0|1,0,0]=3 1825 B7R0.3 C=CC(=O)NCCO MCULE-2036150536 [0,1,1,0,0,0|1,0,0]=3 1826 B7R0.3 C=CC(=O)OCCBr MCULE-3258133915 [0,1,1,0,0,0|1,0,0]=3 1827 B7R0.3 C=CC(=O)OCCC MCULE-5292603407 [0,1,1,0,0,0|0,0,0]=2 1828 B7R0.3 C=CC(=O)OCCCl MCULE-6902160724 [0,1,1,0,0,0|1,0,0]=3 1829 B7R0.3 C=CC(=O)OCCF MCULE-6798260659 [0,1,1,0,0,0|1,0,0]=3 1830 B7R0.3 C=CC(=O)OCCN MCULE-9056583453 [0,1,1,0,0,0|1,0,0]=3 1831 B7R0.3 C=CC(=O)OCCO MCULE-3147939665 [0,1,1,0,0,0|1,0,0]=3 1832 B7R0.3 C=CC(O)CCCC MCULE-1674668011 [0,1,1,0,0,0|0,0,2]=4 1833 B7R0.3 C=CC=CC(=O)OC MCULE-1940821537 [0,1,1,0,0,0|1,0,1]=4 1834 B7R0.3 C=CCCC(=O)CC MCULE-7933484898 [0,1,1,0,0,0|0,0,2]=4 1835 B7R0.3 C=CCOC(=O)C=C MCULE-8478082091 [0,1,1,0,0,0|0,0,2]=4 1836 B7R0.3 CC/C=C/C(=O)OC MCULE-5661442711 [0,1,1,0,0,0|1,0,0]=3 1837 B7R0.3 CC/C=C/C(C)CC MCULE-2438890702 [0,1,1,0,0,0|1,0,1]=4 1838 B7R0.3 CC=CCC(=O)OC MCULE-9658428283 [0,1,1,0,0,0|1,0,0]=3 1839 B7R0.3 CC=CCC(C)CC MCULE-4817855750 [0,1,1,0,0,0|1,0,1]=4 1840 B7R0.3 CCC(=O)/C=C/C=O MCULE-5654548275 [0,1,1,0,0,0|0,0,1]=3 1841 B7R0.3 CCC(=O)C=CC=O MCULE-8246295239 [0,1,1,0,0,0|0,0,1]=3 1842 B7R0.3 CCC(=O)CCCBr MCULE-3298679210 [0,1,1,0,0,0|0,0,2]=4 1843 B7R0.3 CCC(=O)CCCCl MCULE-3397599793 [0,1,1,0,0,0|0,0,2]=4 1844 B7R0.3 CCC(=O)NCCN MCULE-3384406070 [0,1,1,0,0,0|1,0,1]=4 1845 B7R0.3 CCC(=O)NCCN MCULE-3992696592 [0,1,1,0,0,0|1,0,1]=4 1846 B7R0.3 CCC(=O)NCCN MCULE-4556462042 [0,1,1,0,0,0|1,0,1]=4 1847 B7R0.3 CCC(=O)NCCO MCULE-7351790148 [0,1,1,0,0,0|1,0,1]=4 1848 B7R0.3 CCC(=O)OCCCl MCULE-7825392065 [0,1,1,0,0,0|1,0,1]=4 1849 B7R0.3 CCC(=O)OCCO MCULE-6019276519 [0,1,1,0,0,0|1,0,1]=4 1850 B7R0.3 CCC(=O)OCOC MCULE-8101176829 [0,1,1,0,0,0|1,0,1]=4 1851 B7R0.3 CCC=CC(=O)OC MCULE-2390679048 [0,1,1,0,0,0|1,0,0]=3 1852 B7R0.3 CCC=CC(C)CC MCULE-8910467842 [0,1,1,0,0,0|1,0,1]=4 1853 B7R0.3 CCCC=C(C)CC MCULE-4699949699 [0,1,1,0,0,0|1,0,1]=4 1854 B7R0.3 CCCCC(=O)CBr MCULE-5866288227 [0,1,1,0,0,0|1,0,1]=4 1855 B7R0.3 CCCCC(=O)CC MCULE-7758340382 [0,1,1,0,0,0|0,0,2]=4 1856 B7R0.3 CCCCC(=O)CCl MCULE-9673190063 [0,1,1,0,0,0|1,0,1]=4 1857 B7R0.3 CCCCC(=O)NC MCULE-6810865419 [0,1,1,0,0,0|1,0,1]=4 1858 B7R0.3 CCCCC(=O)NN MCULE-9535710488 [0,1,1,0,0,0|2,0,0]=4 1859 B7R0.3 CCCCC(=O)OC MCULE-8635651818 [0,1,1,0,0,0|1,0,1]=4 1860 B7R0.3 CCCNC(=O)CBr MCULE-3357000060 [0,1,1,0,0,0|1,0,1]=4 1861 B7R0.3 CCCNC(=O)CCl MCULE-3171078913 [0,1,1,0,0,0|1,0,1]=4 1862 B7R0.3 CCCNC(=O)CN MCULE-2964958967 [0,1,1,0,0,0|1,0,1]=4 1863 B7R0.3 CCCNC(=O)CN MCULE-4880764199 [0,1,1,0,0,0|1,0,1]=4 1864 B7R0.3 CCCNC(=O)NN MCULE-9369722445 [0,1,1,0,0,0|2,0,0]=4 1865 B7R0.3 CCCOC(=O)CBr MCULE-9392658897 [0,1,1,0,0,0|1,0,1]=4 1866 B7R0.3 CCCOC(=O)CC MCULE-2749425161 [0,1,1,0,0,0|0,0,2]=4 1867 B7R0.3 CCCOC(=O)CCl MCULE-4900509903 [0,1,1,0,0,0|1,0,1]=4 1868 B7R0.3 CCCOC(=O)CN MCULE-5016724090 [0,1,1,0,0,0|1,0,1]=4 1869 B7R0.3 CCCOC(=O)CN MCULE-9899563764 [0,1,1,0,0,0|1,0,1]=4 1870 B7R0.3 CCCOC(=O)CS MCULE-7918412380 [0,1,1,0,0,0|1,0,1]=4 1871 B7R0.3 CCCOC(=O)OC MCULE-7254829881 [0,1,1,0,0,0|1,0,1]=4 1872 B7R0.3 CCNCC(=O)NC MCULE-6292959559 [0,1,1,0,0,0|1,0,1]=4 1873 B7R0.3 CCNCC(=O)OC MCULE-7988488004 [0,1,1,0,0,0|1,0,1]=4 1874 B7R0.3 CCNCC(=O)OC MCULE-9483901468 [0,1,1,0,0,0|1,0,1]=4 1875 B7R0.3 CCOCC(=O)CCl MCULE-3495077500 [0,1,1,0,0,0|1,0,1]=4 1876 B7R0.3 CCOCC(=O)NN MCULE-1157330147 [0,1,1,0,0,0|2,0,0]=4 1877 B7R0.3 CCOCC(=O)NN MCULE-3371253482 [0,1,1,0,0,0|2,0,0]=4 1878 B7R0.3 CCOCC(=O)OC MCULE-5158396979 [0,1,1,0,0,0|1,0,1]=4 1879 B7R0.3 CCSCC(=O)NN MCULE-2532030709 [0,1,1,0,0,0|2,0,0]=4 1880 B7R0.3 CCSCC(=O)OC MCULE-2538182357 [0,1,1,0,0,0|1,0,1]=4 1881 B7R0.3 CNC(=O)C=CCN MCULE-3646722223 [0,1,1,0,0,0|1,0,0]=3 1882 B7R0.3 CNC(=O)C=CCN MCULE-6988679780 [0,1,1,0,0,0|1,0,0]=3 1883 B7R0.3 CNC(=O)CCCCl MCULE-9460684794 [0,1,1,0,0,0|1,0,1]=4 1884 B7R0.3 CNC(=O)CCCN MCULE-4766031038 [0,1,1,0,0,0|1,0,1]=4 1885 B7R0.3 CNC(=O)CCCN MCULE-8992476653 [0,1,1,0,0,0|1,0,1]=4 1886 B7R0.3 CNC(=O)CCCO MCULE-2592655912 [0,1,1,0,0,0|1,0,1]=4 1887 B7R0.3 CNC(=O)CCOC MCULE-1263122933 [0,1,1,0,0,0|1,0,1]=4 1888 B7R0.3 CNCCC(=O)NC MCULE-1793457920 [0,1,1,0,0,0|1,0,1]=4 1889 B7R0.3 CNCCC(=O)NC MCULE-7089073664 [0,1,1,0,0,0|1,0,1]=4 1890 B7R0.3 CNCCC(=O)OC MCULE-5657949377 [0,1,1,0,0,0|1,0,1]=4 1891 B7R0.3 CNCCC(=O)OC MCULE-9145127599 [0,1,1,0,0,0|1,0,1]=4 1892 B7R0.3 CO/C=C/C(=O)OC MCULE-8858181328 [0,1,1,0,0,0|1,0,0]=3 1893 B7R0.3 COC(=O)/C=C/CBr MCULE-5511432414 [0,1,1,0,0,0|1,0,0]=3 1894 B7R0.3 COC(=O)/C=C/CN MCULE-6249542756 [0,1,1,0,0,0|1,0,0]=3 1895 B7R0.3 COC(=O)/C=C/CN MCULE-7014993899 [0,1,1,0,0,0|1,0,0]=3 1896 B7R0.3 COC(=O)/C=C\CBr MCULE-5925439397 [0,1,1,0,0,0|1,0,0]=3 1897 B7R0.3 COC(=O)C=CC=O MCULE-3663456611 [0,1,1,0,0,0|1,0,1]=4 1898 B7R0.3 COC(=O)C=CCBr MCULE-1558782396 [0,1,1,0,0,0|1,0,0]=3 1899 B7R0.3 COC(=O)C=CCN MCULE-4573398613 [0,1,1,0,0,0|1,0,0]=3 1900 B7R0.3 COC(=O)C=CCN MCULE-4807348004 [0,1,1,0,0,0|1,0,0]=3 1901 B7R0.3 COC(=O)C=CCN MCULE-7751483147 [0,1,1,0,0,0|1,0,0]=3 1902 B7R0.3 COC(=O)CCCBr MCULE-3856139347 [0,1,1,0,0,0|1,0,1]=4 1903 B7R0.3 COC(=O)CCCCl MCULE-9725150748 [0,1,1,0,0,0|1,0,1]=4 1904 B7R0.3 COC(=O)CCCI MCULE-6607823615 [0,1,1,0,0,0|1,0,1]=4 1905 B7R0.3 COC(=O)CCCN MCULE-2399653885 [0,1,1,0,0,0|1,0,1]=4 1906 B7R0.3 COC(=O)CCCN MCULE-7745643244 [0,1,1,0,0,0|1,0,1]=4 1907 B7R0.3 COC(=O)CCCO MCULE-6149839873 [0,1,1,0,0,0|1,0,1]=4 1908 B7R0.3 COC(=O)CCCS MCULE-6897052882 [0,1,1,0,0,0|1,0,1]=4 1909 B7R0.3 COC(=O)CCSC MCULE-8525618169 [0,1,1,0,0,0|1,0,1]=4 1910 B7R0.3 COC=CC(=O)OC MCULE-3167643214 [0,1,1,0,0,0|1,0,0]=3 1911 B7R0.3 COCCC(=O)CCl MCULE-2918704994 [0,1,1,0,0,0|1,0,1]=4 1912 B7R0.3 COCCC(=O)NN MCULE-6895114863 [0,1,1,0,0,0|2,0,0]=4 1913 B7R0.3 COCCC(=O)OC MCULE-5918489580 [0,1,1,0,0,0|1,0,1]=4 1914 B7R0.3 NNC(=O)CCCCl MCULE-9370062145 [0,1,1,0,0,0|2,0,0]=4 1915 B7R0.3 NNC(=O)CCCO MCULE-4131007358 [0,1,1,0,0,0|2,0,0]=4 1916 B7R0.3 O=C(CCl)CCCCl MCULE-2362491395 [0,1,1,0,0,0|1,0,1]=4 1917 B7R0.5 C=C(Br)C(=O)OCC MCULE-3441307956 [0,1,1,0,0,0|1,0,0]=3 1918 B7R0.5 C=C(C)C(=O)NCO MCULE-2758821094 [0,1,1,0,0,0|2,0,0]=4 1919 B7R0.5 C=C(C)C(=O)OCC MCULE-9496497565 [0,1,1,0,0,0|1,0,0]=3 1920 B7R0.5 C=C(CCC)C(=O)O MCULE-5702167426 [0,1,1,0,0,0|2,0,0]=4 1921 B7R0.5 CCCC(=C(F)F)F MCULE-1831306144 [0,1,1,0,0,0|2,0,0]=4 1922 B7R0.5 CCCC(=O)C(=O)C MCULE-8267463586 [0,1,1,0,0,0|0,0,1]=3 1923 B7R0.5 CCCC(=O)C(=O)N MCULE-6625605588 [0,1,1,0,0,0|1,0,0]=3 1924 B7R0.5 CCCC(=O)C(=O)O MCULE-5281491858 [0,1,1,0,0,0|1,0,0]=3 1925 B7R0.5 CCCC(=O)C(C)Br MCULE-8743472868 [0,1,1,0,0,0|0,0,2]=4 1926 B7R0.5 CCCC(=O)C(C)C MCULE-7690543374 [0,1,1,0,0,0|0,0,2]=4 1927 B7R0.5 CCCC(=O)N(C)C MCULE-8154537620 [0,1,1,0,0,0|1,0,1]=4 1928 B7R0.5 CCNC(=O)C(=O)O MCULE-1213485294 [0,1,1,0,0,0|2,0,0]=4 1929 B7R0.5 CCNC(=O)C(C)Br MCULE-4342500989 [0,1,1,0,0,0|1,0,1]=4 1930 B7R0.5 CCNC(=O)C(C)Cl MCULE-2094375104 [0,1,1,0,0,0|1,0,1]=4 1931 B7R0.5 CCNC(=O)C(C)N MCULE-7767946644 [0,1,1,0,0,0|1,0,1]=4 1932 B7R0.5 CCNC(=O)C(C)N MCULE-8324775088 [0,1,1,0,0,0|1,0,1]=4 1933 B7R0.5 CCNC(=O)C(C)N MCULE-9028977052 [0,1,1,0,0,0|1,0,1]=4 1934 B7R0.5 CCNC(=O)[C@H](C)N MCULE-1043080386 [0,1,1,0,0,0|1,0,1]=4 1935 B7R0.5 CCNC(=O)[C@H](C)O MCULE-9098995292 [0,1,1,0,0,0|1,0,1]=4 1936 B7R0.5 CCOC(=O)C(=N)N MCULE-4853735680 [0,1,1,0,0,0|2,0,0]=4 1937 B7R0.5 CCOC(=O)C(=N)N MCULE-9212797796 [0,1,1,0,0,0|2,0,0]=4 1938 B7R0.5 CCOC(=O)C(=O)C MCULE-5817261721 [0,1,1,0,0,0|1,0,1]=4 1939 B7R0.5 CCOC(=O)C(=O)Cl MCULE-6454421959 [0,1,1,0,0,0|2,0,0]=4 1940 B7R0.5 CCOC(=O)C(=O)N MCULE-2968497645 [0,1,1,0,0,0|2,0,0]=4 1941 B7R0.5 CCOC(=O)C(=O)O MCULE-2368024441 [0,1,1,0,0,0|2,0,0]=4 1942 B7R0.5 CCOC(=O)C(=O)[O-] MCULE-1807862684 [0,1,1,0,0,0|2,0,0]=4 1943 B7R0.5 CCOC(=O)C(=S)N MCULE-3285821799 [0,1,1,0,0,0|2,0,0]=4 1944 B7R0.5 CCOC(=O)C(C)Br MCULE-3184697988 [0,1,1,0,0,0|1,0,1]=4 1945 B7R0.5 CCOC(=O)C(C)C MCULE-7190269066 [0,1,1,0,0,0|1,0,1]=4 1946 B7R0.5 CCOC(=O)C(C)Cl MCULE-8192833024 [0,1,1,0,0,0|1,0,1]=4 1947 B7R0.5 CCOC(=O)C(C)F MCULE-5743308430 [0,1,1,0,0,0|1,0,1]=4 1948 B7R0.5 CCOC(=O)C(C)I MCULE-5895787216 [0,1,1,0,0,0|1,0,1]=4 1949 B7R0.5 CCOC(=O)C(C)N MCULE-1694144423 [0,1,1,0,0,0|1,0,1]=4 1950 B7R0.5 CCOC(=O)C(C)N MCULE-4073874506 [0,1,1,0,0,0|1,0,1]=4 1951 B7R0.5 CCOC(=O)C(C)N MCULE-4082731166 [0,1,1,0,0,0|1,0,1]=4 1952 B7R0.5 CCOC(=O)C(C)N MCULE-5175870607 [0,1,1,0,0,0|1,0,1]=4 1953 B7R0.5 CCOC(=O)C(C)O MCULE-8057202883 [0,1,1,0,0,0|1,0,1]=4 1954 B7R0.5 CCOC(=O)C(C)O MCULE-9679398205 [0,1,1,0,0,0|1,0,1]=4 1955 B7R0.5 CCOC(=O)C(C)S MCULE-7890942953 [0,1,1,0,0,0|1,0,1]=4 1956 B7R0.5 CCOC(=O)[C@@H](C)F MCULE-1032359164 [0,1,1,0,0,0|1,0,1]=4 1957 B7R0.5 CCOC(=O)[C@@H](C)F MCULE-1087923626 [0,1,1,0,0,0|1,0,1]=4 1958 B7R0.5 CCOC(=O)[C@@H](C)N MCULE-1553164105 [0,1,1,0,0,0|1,0,1]=4 1959 B7R0.5 CCOC(=O)[C@@H](C)N MCULE-2294196196 [0,1,1,0,0,0|1,0,1]=4 1960 B7R0.5 CCOC(=O)[C@@H](C)N MCULE-4613491627 [0,1,1,0,0,0|1,0,1]=4 1961 B7R0.5 CCOC(=O)[C@@H](C)N MCULE-8190900780 [0,1,1,0,0,0|1,0,1]=4 1962 B7R0.5 CCOC(=O)[C@@H](C)O MCULE-3372948910 [0,1,1,0,0,0|1,0,1]=4 1963 B7R0.5 CCOC(=O)[C@@H](C)O MCULE-5795033916 [0,1,1,0,0,0|1,0,1]=4 1964 B7R0.5 CCOC(=O)[C@H](C)F MCULE-3258014155 [0,1,1,0,0,0|1,0,1]=4 1965 B7R0.5 CCOC(=O)[C@H](C)N MCULE-4397919899 [0,1,1,0,0,0|1,0,1]=4 1966 B7R0.5 CCOC(=O)[C@H](C)N MCULE-4404274511 [0,1,1,0,0,0|1,0,1]=4 1967 B7R0.5 CCOC(=O)[C@H](C)N MCULE-7626045082 [0,1,1,0,0,0|1,0,1]=4 1968 B7R0.5 CCOC(=O)[C@H](C)N MCULE-8333235087 [0,1,1,0,0,0|1,0,1]=4 1969 B7R0.5 CCOC(=O)[C@H](C)O MCULE-4333545760 [0,1,1,0,0,0|1,0,1]=4 1970 B7R0.5 CCOC(=O)[C@H](C)O MCULE-8787861948 [0,1,1,0,0,0|1,0,1]=4 1971 B7R0.5 CCSC(=O)C(C)N MCULE-3205133332 [0,1,1,0,0,0|1,0,1]=4 1972 B7R0.5 CCSC(=O)C(C)N MCULE-4228316337 [0,1,1,0,0,0|1,0,1]=4 1973 B7R0.5 CCSC(=O)[C@H](C)N MCULE-3136283874 [0,1,1,0,0,0|1,0,1]=4 1974 B7R0.5 CCSC(=O)[C@H](C)N MCULE-7218618193 [0,1,1,0,0,0|1,0,1]=4 1975 B7R0.5 CCSC(=O)[C@H](C)N MCULE-8421179745 [0,1,1,0,0,0|1,0,1]=4 1976 B7R0.5 CCSC(=O)[C@H](C)N MCULE-9872171069 [0,1,1,0,0,0|1,0,1]=4 1977 B7R0.5 COCC(=O)C(C)C MCULE-8251961368 [0,1,1,0,0,0|1,0,1]=4 1978 B7R0.7 C/C=C/C(=O)N=C=S MCULE-1051826106 [0,1,1,0,0,0|1,0,1]=4 1979 B7R0.7 C/C=C/C(=O)OCC MCULE-8433823264 [0,1,1,0,0,0|0,0,0]=2 1980 B7R0.7 C=C=CC(=O)OCC MCULE-9108726418 [0,1,1,0,0,0|1,0,0]=3 1981 B7R0.7 C=CCC(=O)OCC MCULE-2006542536 [0,1,1,0,0,0|1,0,0]=3 1982 B7R0.7 C=CCC(O)CCC MCULE-4006607391 [0,1,1,0,0,0|0,0,2]=4 1983 B7R0.7 C=COC(=O)/C=C/C MCULE-3646996165 [0,1,1,0,0,0|0,0,2]=4 1984 B7R0.7 C=COC(=O)C=CC MCULE-7917602280 [0,1,1,0,0,0|0,0,2]=4 1985 B7R0.7 C=COC(=O)CCC MCULE-2764567967 [0,1,1,0,0,0|0,0,0]=2 1986 B7R0.7 CC#CC(=O)OCC MCULE-3358315498 [0,1,1,0,0,0|0,0,2]=4 1987 B7R0.7 CC=CC(=O)N=C=S MCULE-4538158885 [0,1,1,0,0,0|1,0,1]=4 1988 B7R0.7 CC=CC(=O)OCC MCULE-1904771513 [0,1,1,0,0,0|0,0,0]=2 1989 B7R0.7 CC=CC(O)CCC MCULE-2375824505 [0,1,1,0,0,0|0,0,2]=4 1990 B7R0.7 CCCC(=O)CC#N MCULE-7580308812 [0,1,1,0,0,0|0,0,2]=4 1991 B7R0.7 CCCC(=O)CCC MCULE-1621649928 [0,1,1,0,0,0|0,0,2]=4 1992 B7R0.7 CCCC(=O)OCC MCULE-9977024136 [0,1,1,0,0,0|0,0,2]=4 1993 B7R0.7 CCCC(=O)OCCl MCULE-5186069317 [0,1,1,0,0,0|1,0,1]=4 1994 B7R0.7 CCNC(=O)CCCl MCULE-3246776319 [0,1,1,0,0,0|1,0,1]=4 1995 B7R0.7 CCNC(=O)CCN MCULE-2856252531 [0,1,1,0,0,0|1,0,1]=4 1996 B7R0.7 CCNC(=O)CCN MCULE-3929666209 [0,1,1,0,0,0|1,0,1]=4 1997 B7R0.7 CCNC(=O)CCO MCULE-3624072697 [0,1,1,0,0,0|1,0,1]=4 1998 B7R0.7 CCNC(=O)CNC MCULE-1939824251 [0,1,1,0,0,0|1,0,1]=4 1999 B7R0.7 CCNC(=O)CNC MCULE-2815515396 [0,1,1,0,0,0|1,0,1]=4 2000 B7R0.7 CCNC(=O)NCC MCULE-2253571388 [0,1,1,0,0,0|1,0,1]=4 2001 B7R0.7 CCNC(=O)OCC MCULE-3910060770 [0,1,1,0,0,0|1,0,1]=4 2002 B7R0.7 CCOC(=O)/C=C/I MCULE-4105665503 [0,1,1,0,0,0|1,0,0]=3 2003 B7R0.7 CCOC(=O)/C=C/O MCULE-1984925411 [0,1,1,0,0,0|1,0,0]=3 2004 B7R0.7 CCOC(=O)/C=C/[O-] MCULE-5625833261 [0,1,1,0,0,0|1,0,0]=3 2005 B7R0.7 CCOC(=O)/C=C\Br MCULE-7525620721 [0,1,1,0,0,0|1,0,0]=3 2006 B7R0.7 CCOC(=O)/C=C\I MCULE-4741067503 [0,1,1,0,0,0|1,0,0]=3 2007 B7R0.7 CCOC(=O)/C=C\N MCULE-1135242139 [0,1,1,0,0,0|1,0,0]=3 2008 B7R0.7 CCOC(=O)C=CBr MCULE-3778834856 [0,1,1,0,0,0|1,0,0]=3 2009 B7R0.7 CCOC(=O)C=CI MCULE-9930784067 [0,1,1,0,0,0|1,0,0]=3 2010 B7R0.7 CCOC(=O)C=CO MCULE-2570791221 [0,1,1,0,0,0|1,0,0]=3 2011 B7R0.7 CCOC(=O)C=C[O-] MCULE-8425740727 [0,1,1,0,0,0|1,0,0]=3 2012 B7R0.7 CCOC(=O)C=NN MCULE-5132323904 [0,1,1,0,0,0|2,0,0]=4 2013 B7R0.7 CCOC(=O)C=NN MCULE-5899717314 [0,1,1,0,0,0|2,0,0]=4 2014 B7R0.7 CCOC(=O)C=NO MCULE-8888029932 [0,1,1,0,0,0|2,0,0]=4 2015 B7R0.7 CCOC(=O)CC=O MCULE-5042552247 [0,1,1,0,0,0|1,0,1]=4 2016 B7R0.7 CCOC(=O)CCBr MCULE-1898467026 [0,1,1,0,0,0|1,0,1]=4 2017 B7R0.7 CCOC(=O)CCCl MCULE-2623656770 [0,1,1,0,0,0|1,0,1]=4 2018 B7R0.7 CCOC(=O)CCI MCULE-9651397551 [0,1,1,0,0,0|1,0,1]=4 2019 B7R0.7 CCOC(=O)CCN MCULE-4383008445 [0,1,1,0,0,0|1,0,1]=4 2020 B7R0.7 CCOC(=O)CCN MCULE-6873709061 [0,1,1,0,0,0|1,0,1]=4 2021 B7R0.7 CCOC(=O)CCO MCULE-3972081033 [0,1,1,0,0,0|1,0,1]=4 2022 B7R0.7 CCOC(=O)CCS MCULE-3955367746 [0,1,1,0,0,0|1,0,1]=4 2023 B7R0.7 CCOC(=O)CNC MCULE-3219895330 [0,1,1,0,0,0|1,0,1]=4 2024 B7R0.7 CCOC(=O)CNC MCULE-6164649520 [0,1,1,0,0,0|1,0,1]=4 2025 B7R0.7 CCOC(=O)COC MCULE-7739678079 [0,1,1,0,0,0|1,0,1]=4 2026 B7R0.7 CCOC(=O)CSC MCULE-5199209389 [0,1,1,0,0,0|1,0,1]=4 2027 B7R0.7 CCOC(=O)NNC MCULE-8689837834 [0,1,1,0,0,0|2,0,0]=4 2028 B7R0.7 CCOC(=O)NOC MCULE-2256963329 [0,1,1,0,0,0|2,0,0]=4 2029 B7R0.7 CCOC(=O)OCC MCULE-1394890550 [0,1,1,0,0,0|1,0,1]=4 2030 B7R0.7 CCOC(=O)[CH-]C=O MCULE-1944484299 [0,1,1,0,0,0|1,0,1]=4 2031 B7R0.7 CCOC(=O)[CH-]C=O MCULE-5022028224 [0,1,1,0,0,0|1,0,1]=4 2032 B7R0.7 CCSC(=O)SCC MCULE-7783165279 [0,1,1,0,0,0|1,0,1]=4 2033 B7R0.7 COCC(=O)COC MCULE-5119511792 [0,1,1,0,0,0|1,0,1]=4 2034 B7R0.10 C/C=C(/C)\C(=O)OC MCULE-6490619453 [0,1,1,0,0,0|1,0,0]=3 2035 B7R0.10 C/C=C(\C)/C(=O)OC MCULE-2521624465 [0,1,1,0,0,0|1,0,0]=3 2036 B7R0.10 C=C(CC)C(=O)OC MCULE-2064145693 [0,1,1,0,0,0|1,0,1]=4 2037 B7R0.10 C=C(OC)C(=O)OC MCULE-3256769494 [0,1,1,0,0,0|2,0,0]=4 2038 B7R0.10 C=CC(=O)N(C)CC MCULE-8629361048 [0,1,1,0,0,0|1,0,0]=3 2039 B7R0.10 C=CC(=O)N(C)OC MCULE-8945434721 [0,1,1,0,0,0|2,0,0]=4 2040 B7R0.10 C=CC(C)C(C)CC MCULE-2366850706 [0,1,1,0,0,0|1,0,1]=4 2041 B7R0.10 CC=C(Br)C(=O)OC MCULE-8210439839 [0,1,1,0,0,0|1,0,0]=3 2042 B7R0.10 CC=C(C)C(=O)OC MCULE-7431996149 [0,1,1,0,0,0|1,0,0]=3 2043 B7R0.10 CCC(=O)C(=NO)C MCULE-5669219787 [0,1,1,0,0,0|2,0,0]=4 2044 B7R0.10 CCC(=O)C(=O)CC MCULE-4346857339 [0,1,1,0,0,0|0,0,1]=3 2045 B7R0.10 CCC(=O)C(=O)OC MCULE-6526576267 [0,1,1,0,0,0|1,0,0]=3 2046 B7R0.10 CCC(=O)C(O)CC MCULE-7549931190 [0,1,1,0,0,0|0,0,2]=4 2047 B7R0.10 CCC(=O)N(C)CC MCULE-1764457516 [0,1,1,0,0,0|1,0,1]=4 2048 B7R0.10 CCC(=O)N(C)OC MCULE-7450696534 [0,1,1,0,0,0|2,0,0]=4 2049 B7R0.10 CCC(Br)C(=O)NC MCULE-5335067622 [0,1,1,0,0,0|1,0,1]=4 2050 B7R0.10 CCC(Br)C(=O)OC MCULE-2335527491 [0,1,1,0,0,0|1,0,1]=4 2051 B7R0.10 CCC(C)C(=O)CBr MCULE-7022126762 [0,1,1,0,0,0|1,0,1]=4 2052 B7R0.10 CCC(C)C(=O)CCl MCULE-6800466655 [0,1,1,0,0,0|1,0,1]=4 2053 B7R0.10 CCC(C)C(=O)NC MCULE-5599095900 [0,1,1,0,0,0|1,0,1]=4 2054 B7R0.10 CCC(C)C(=O)NN MCULE-4144584435 [0,1,1,0,0,0|2,0,0]=4 2055 B7R0.10 CCC(C)C(=O)OC MCULE-9845747952 [0,1,1,0,0,0|1,0,1]=4 2056 B7R0.10 CCC(Cl)C(=O)OC MCULE-4773486285 [0,1,1,0,0,0|1,0,1]=4 2057 B7R0.10 CCC(N)C(=O)NC MCULE-7274856339 [0,1,1,0,0,0|1,0,1]=4 2058 B7R0.10 CCC(N)C(=O)NC MCULE-9912780545 [0,1,1,0,0,0|1,0,1]=4 2059 B7R0.10 CCC(N)C(=O)NO MCULE-9162328479 [0,1,1,0,0,0|2,0,0]=4 2060 B7R0.10 CCC(N)C(=O)OC MCULE-1569242271 [0,1,1,0,0,0|1,0,1]=4 2061 B7R0.10 CCC(N)C(=O)OC MCULE-3183954116 [0,1,1,0,0,0|1,0,1]=4 2062 B7R0.10 CCC(N)C(=O)OC MCULE-4045754117 [0,1,1,0,0,0|1,0,1]=4 2063 B7R0.10 CCC(N)C(=O)OC MCULE-5328984047 [0,1,1,0,0,0|1,0,1]=4 2064 B7R0.10 CCC(O)C(=O)OC MCULE-8768500574 [0,1,1,0,0,0|1,0,1]=4 2065 B7R0.10 CC[C@@H](Br)C(=O)OC MCULE-2676798410 [0,1,1,0,0,0|1,0,1]=4 2066 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-6794991435 [0,1,1,0,0,0|1,0,1]=4 2067 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-6825672331 [0,1,1,0,0,0|1,0,1]=4 2068 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-7307663817 [0,1,1,0,0,0|1,0,1]=4 2069 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-8717527808 [0,1,1,0,0,0|1,0,1]=4 2070 B7R0.10 CC[C@@H](O)C(=O)OC MCULE-6916010003 [0,1,1,0,0,0|1,0,1]=4 2071 B7R0.10 CC[C@@H](O)C(=O)OC MCULE-9376722018 [0,1,1,0,0,0|1,0,1]=4 2072 B7R0.10 CC[C@H](Br)C(=O)OC MCULE-5490793206 [0,1,1,0,0,0|1,0,1]=4 2073 B7R0.10 CC[C@H](N)C(=O)OC MCULE-2336816190 [0,1,1,0,0,0|1,0,1]=4 2074 B7R0.10 CC[C@H](N)C(=O)OC MCULE-3480066740 [0,1,1,0,0,0|1,0,1]=4 2075 B7R0.10 CC[C@H](N)C(=O)OC MCULE-4883083558 [0,1,1,0,0,0|1,0,1]=4 2076 B7R0.10 CC[C@H](N)C(=O)OC MCULE-6241184216 [0,1,1,0,0,0|1,0,1]=4 2077 B7R0.10 CC[C@H](O)C(=O)OC MCULE-5873092635 [0,1,1,0,0,0|1,0,1]=4 2078 B7R0.10 CC[C@H](O)C(=O)OC MCULE-8209874812 [0,1,1,0,0,0|1,0,1]=4 2079 B7R0.10 CNC(=O)C(=O)NC MCULE-5993874240 [0,1,1,0,0,0|2,0,0]=4 2080 B7R0.10 CNC(=O)C(=O)OC MCULE-1771479923 [0,1,1,0,0,0|2,0,0]=4 2081 B7R0.10 COC(=O)/C(=C/Br)/C MCULE-9213242172 [0,1,1,0,0,0|2,0,0]=4 2082 B7R0.10 COC(=O)/C(=C/Cl)/Cl MCULE-7181141754 [0,1,1,0,0,0|2,0,0]=4 2083 B7R0.10 COC(=O)/C(=C/[O-])/Cl MCULE-5795286951 [0,1,1,0,0,0|2,0,0]=4 2084 B7R0.10 COC(=O)/C(=C/[O-])/Cl MCULE-6102470934 [0,1,1,0,0,0|2,0,0]=4 2085 B7R0.10 COC(=O)C(=CBr)C MCULE-2452279572 [0,1,1,0,0,0|2,0,0]=4 2086 B7R0.10 COC(=O)C(=O)CBr MCULE-7596502094 [0,1,1,0,0,0|2,0,0]=4 2087 B7R0.10 COC(=O)C(=O)OC MCULE-5018268642 [0,1,1,0,0,0|2,0,0]=4 2088 B7R0.11 C=CC(C)(C)CCC MCULE-7100135827 [0,1,1,0,0,0|1,0,1]=4 2089 B7R0.11 C=CS(=O)(=O)CCO MCULE-3885863033 [0,1,1,0,0,0|2,0,0]=4 2090 B7R0.11 C=CS(=O)(=O)NCC MCULE-9554930101 [0,1,1,0,0,0|2,0,0]=4 2091 B7R0.4 C#CCCCC(=O)C MCULE-9860822800 [0,1,1,0,0,0|0,0,2]=4 2092 B7R0.4 C#CCCCC(=O)Cl MCULE-8504740573 [0,1,1,0,0,0|1,0,1]=4 2093 B7R0.4 C#CCCCC(=O)N MCULE-3927386617 [0,1,1,0,0,0|1,0,1]=4 2094 B7R0.4 C#CCCCC(=O)O MCULE-7464892335 [0,1,1,0,0,0|1,0,1]=4 2095 B7R0.4 C(=C/C(=O)O)\CCC MCULE-7580507705 [0,1,1,0,0,0|1,0,0]=3 2096 B7R0.4 C(=C/CC(=O)O)\CC MCULE-2731794411 [0,1,1,0,0,0|1,0,0]=3 2097 B7R0.4 C/C=C/C=C/C(=O)O MCULE-5933850278 [0,1,1,0,0,0|1,0,1]=4 2098 B7R0.4 C/C=C/C=C/C(=O)[O-] MCULE-2438491537 [0,1,1,0,0,0|1,0,1]=4 2099 B7R0.4 C/C=C/C=C/C(=O)[O-] MCULE-8550303604 [0,1,1,0,0,0|1,0,1]=4 2100 B7R0.4 C/C=C/C=C\C(=O)O MCULE-3744855708 [0,1,1,0,0,0|1,0,1]=4 2101 B7R0.4 C/C=C/COC(=O)C MCULE-4948306153 [0,1,1,0,0,0|0,0,2]=4 2102 B7R0.4 C=C(Br)CCCC#N MCULE-6815008975 [0,1,1,0,0,0|1,0,1]=4 2103 B7R0.4 C=C(Br)CCCCC MCULE-3049831354 [0,1,1,0,0,0|1,0,1]=4 2104 B7R0.4 C=C(C)CCC=CC MCULE-7970794651 [0,1,1,0,0,0|1,0,1]=4 2105 B7R0.4 C=C(C)CCCC#N MCULE-2408925107 [0,1,1,0,0,0|1,0,1]=4 2106 B7R0.4 C=C(C)CCCCC MCULE-6108413722 [0,1,1,0,0,0|1,0,1]=4 2107 B7R0.4 C=C(Cl)CCCC#N MCULE-4521775223 [0,1,1,0,0,0|1,0,1]=4 2108 B7R0.4 C=C(Cl)CCCCC MCULE-5074452982 [0,1,1,0,0,0|1,0,1]=4 2109 B7R0.4 C=C=CCCC(=O)O MCULE-4179366971 [0,1,1,0,0,0|1,0,1]=4 2110 B7R0.4 C=CC=COC(=O)C MCULE-8556263077 [0,1,1,0,0,0|0,0,2]=4 2111 B7R0.4 C=CCCCC(=O)Cl MCULE-9125909850 [0,1,1,0,0,0|1,0,0]=3 2112 B7R0.4 C=CCCCC(=O)O MCULE-6043142578 [0,1,1,0,0,0|1,0,0]=3 2113 B7R0.4 C=CCCCN(=O)=O MCULE-2477675285 [0,1,1,0,0,0|2,0,0]=4 2114 B7R0.4 C=CCCOC(=O)C MCULE-4554969214 [0,1,1,0,0,0|0,0,2]=4 2115 B7R0.4 C=CCCOC(=O)Cl MCULE-1917342500 [0,1,1,0,0,0|1,0,1]=4 2116 B7R0.4 C=CCNCC(=C)Br MCULE-1736421894 [0,1,1,0,0,0|1,0,1]=4 2117 B7R0.4 C=CCNCC(=C)Br MCULE-1835425145 [0,1,1,0,0,0|1,0,1]=4 2118 B7R0.4 C=CCNCC(=O)O MCULE-2925626447 [0,1,1,0,0,0|1,0,1]=4 2119 B7R0.4 C=CCNCC(=O)O MCULE-6980667867 [0,1,1,0,0,0|1,0,1]=4 2120 B7R0.4 C=CCOCC(=O)O MCULE-1419435306 [0,1,1,0,0,0|1,0,1]=4 2121 B7R0.4 C=CCSCC(=O)O MCULE-1950424629 [0,1,1,0,0,0|1,0,1]=4 2122 B7R0.4 CC(=C=CCCO)C MCULE-7603464206 [0,1,1,0,0,0|1,0,1]=4 2123 B7R0.4 CC(=CCCCO)C MCULE-5263952692 [0,1,1,0,0,0|1,0,1]=4 2124 B7R0.4 CC(=O)CCCC#N MCULE-5884370871 [0,1,1,0,0,0|0,0,2]=4 2125 B7R0.4 CC(=O)CCCCBr MCULE-8801446022 [0,1,1,0,0,0|0,0,2]=4 2126 B7R0.4 CC(=O)CCCCCl MCULE-2883443563 [0,1,1,0,0,0|0,0,2]=4 2127 B7R0.4 CC(=O)CCCCO MCULE-9846338144 [0,1,1,0,0,0|0,0,2]=4 2128 B7R0.4 CC(=O)CSCCF MCULE-8129308816 [0,1,1,0,0,0|1,0,1]=4 2129 B7R0.4 CC(=O)NCCC=O MCULE-1907633123 [0,1,1,0,0,0|1,0,1]=4 2130 B7R0.4 CC(=O)NCCCBr MCULE-5421597540 [0,1,1,0,0,0|1,0,1]=4 2131 B7R0.4 CC(=O)NCCCCl MCULE-4056331581 [0,1,1,0,0,0|1,0,1]=4 2132 B7R0.4 CC(=O)NCCCN MCULE-6321543480 [0,1,1,0,0,0|1,0,1]=4 2133 B7R0.4 CC(=O)NCCCN MCULE-8441492497 [0,1,1,0,0,0|1,0,1]=4 2134 B7R0.4 CC(=O)NCCCO MCULE-5627003249 [0,1,1,0,0,0|1,0,1]=4 2135 B7R0.4 CC(=O)OCCCBr MCULE-4735159476 [0,1,1,0,0,0|1,0,1]=4 2136 B7R0.4 CC(=O)OCCCCl MCULE-4801419214 [0,1,1,0,0,0|1,0,1]=4 2137 B7R0.4 CC(=O)OCCCI MCULE-5830086336 [0,1,1,0,0,0|1,0,1]=4 2138 B7R0.4 CC(=O)OCCCO MCULE-1423430948 [0,1,1,0,0,0|1,0,1]=4 2139 B7R0.4 CC(=O)OCCCS MCULE-2576827025 [0,1,1,0,0,0|1,0,1]=4 2140 B7R0.4 CC(=O)SCCC=O MCULE-3054558493 [0,1,1,0,0,0|1,0,1]=4 2141 B7R0.4 CC(=O)SCCCBr MCULE-2716633608 [0,1,1,0,0,0|1,0,1]=4 2142 B7R0.4 CC(=O)SCCCCl MCULE-3875604518 [0,1,1,0,0,0|1,0,1]=4 2143 B7R0.4 CC(=O)SCCCO MCULE-9014625190 [0,1,1,0,0,0|1,0,1]=4 2144 B7R0.4 CC=CC=CC(=O)C MCULE-1781846029 [0,1,1,0,0,0|0,0,1]=3 2145 B7R0.4 CC=CC=CC(=O)Cl MCULE-7711381941 [0,1,1,0,0,0|1,0,1]=4 2146 B7R0.4 CC=CC=CC(=O)O MCULE-9397415946 [0,1,1,0,0,0|1,0,1]=4 2147 B7R0.4 CC=CC=CC(=O)[O-] MCULE-4983552708 [0,1,1,0,0,0|1,0,1]=4 2148 B7R0.4 CC=CC=CC(=O)[O-] MCULE-7794252065 [0,1,1,0,0,0|1,0,1]=4 2149 B7R0.4 CC=CCCC(=O)O MCULE-4275247668 [0,1,1,0,0,0|1,0,1]=4 2150 B7R0.4 CCC/C=C/C(=O)C MCULE-2005171902 [0,1,1,0,0,0|0,0,0]=2 2151 B7R0.4 CCC=CCC(=O)O MCULE-5031939966 [0,1,1,0,0,0|1,0,0]=3 2152 B7R0.4 CCC=CCC(C)C MCULE-6798729321 [0,1,1,0,0,0|1,0,1]=4 2153 B7R0.4 CCCC=CC(=O)C MCULE-5008490883 [0,1,1,0,0,0|0,0,0]=2 2154 B7R0.4 CCCC=CC(=O)Cl MCULE-6782906777 [0,1,1,0,0,0|1,0,0]=3 2155 B7R0.4 CCCC=CC(=O)O MCULE-6995077492 [0,1,1,0,0,0|1,0,0]=3 2156 B7R0.4 CCCC=CC(C)C MCULE-6546702510 [0,1,1,0,0,0|1,0,1]=4 2157 B7R0.4 CCCCCC(=O)C MCULE-6017828463 [0,1,1,0,0,0|0,0,2]=4 2158 B7R0.4 CCCCCC(=O)Cl MCULE-5446850478 [0,1,1,0,0,0|1,0,1]=4 2159 B7R0.4 CCCCCC(=O)N MCULE-3215992514 [0,1,1,0,0,0|1,0,1]=4 2160 B7R0.4 CCCCCC(=O)O MCULE-1671810139 [0,1,1,0,0,0|1,0,1]=4 2161 B7R0.4 CCCCCC(=O)[O-] MCULE-5310584661 [0,1,1,0,0,0|1,0,1]=4 2162 B7R0.4 CCCCCC(=O)[O-] MCULE-9495078126 [0,1,1,0,0,0|1,0,1]=4 2163 B7R0.4 CCCCNC(=O)C MCULE-7266335096 [0,1,1,0,0,0|0,0,2]=4 2164 B7R0.4 CCCCNC(=O)Cl MCULE-2148016012 [0,1,1,0,0,0|1,0,1]=4 2165 B7R0.4 CCCCNC(=O)N MCULE-3263036294 [0,1,1,0,0,0|1,0,1]=4 2166 B7R0.4 CCCCOC(=O)C MCULE-2107021121 [0,1,1,0,0,0|0,0,2]=4 2167 B7R0.4 CCCCOC(=O)Cl MCULE-5750652482 [0,1,1,0,0,0|1,0,1]=4 2168 B7R0.4 CCCCOC(=O)N MCULE-7719579696 [0,1,1,0,0,0|1,0,1]=4 2169 B7R0.4 CCCCSC(=O)C MCULE-2653182488 [0,1,1,0,0,0|0,0,2]=4 2170 B7R0.4 CCCCSC(=O)Cl MCULE-8008254909 [0,1,1,0,0,0|1,0,1]=4 2171 B7R0.4 CCCNCC(=O)N MCULE-2330202708 [0,1,1,0,0,0|1,0,1]=4 2172 B7R0.4 CCCNCC(=O)N MCULE-3731054780 [0,1,1,0,0,0|1,0,1]=4 2173 B7R0.4 CCCNCC(=O)O MCULE-4384128915 [0,1,1,0,0,0|1,0,1]=4 2174 B7R0.4 CCCNCC(=O)O MCULE-7537317046 [0,1,1,0,0,0|1,0,1]=4 2175 B7R0.4 CCCOCC(=O)O MCULE-6841640058 [0,1,1,0,0,0|1,0,1]=4 2176 B7R0.4 CCCSCC(=O)C MCULE-8321448629 [0,1,1,0,0,0|0,0,2]=4 2177 B7R0.4 CCCSCC(=O)O MCULE-7463688573 [0,1,1,0,0,0|1,0,1]=4 2178 B7R0.4 CCNCCC(=O)N MCULE-4857735433 [0,1,1,0,0,0|1,0,1]=4 2179 B7R0.4 CCNCCC(=O)N MCULE-8238114591 [0,1,1,0,0,0|1,0,1]=4 2180 B7R0.4 CCNCCC(=O)O MCULE-4226597657 [0,1,1,0,0,0|1,0,1]=4 2181 B7R0.4 CCNCCC(=O)O MCULE-9183951914 [0,1,1,0,0,0|1,0,1]=4 2182 B7R0.4 CCO/C=C/C(=N)N MCULE-5385104731 [0,1,1,0,0,0|2,0,0]=4 2183 B7R0.4 CCO/C=C/C(=N)N MCULE-9722827005 [0,1,1,0,0,0|2,0,0]=4 2184 B7R0.4 CCO/C=C/C(=O)Cl MCULE-5623807124 [0,1,1,0,0,0|1,0,0]=3 2185 B7R0.4 CCO/C=C/C(=O)O MCULE-6712227034 [0,1,1,0,0,0|1,0,0]=3 2186 B7R0.4 CCO/C=C/C(C)C MCULE-7416901605 [0,1,1,0,0,0|1,0,1]=4 2187 B7R0.4 CCOC=CC(=O)Cl MCULE-1242349133 [0,1,1,0,0,0|1,0,0]=3 2188 B7R0.4 CCOC=CC(=O)O MCULE-4776715351 [0,1,1,0,0,0|1,0,0]=3 2189 B7R0.4 CCOC=CC(C)C MCULE-3218868182 [0,1,1,0,0,0|1,0,1]=4 2190 B7R0.4 CCOCCC(=O)C MCULE-8449201493 [0,1,1,0,0,0|0,0,2]=4 2191 B7R0.4 CCOCCC(=O)Cl MCULE-8299617790 [0,1,1,0,0,0|1,0,1]=4 2192 B7R0.4 CCOCCC(=O)O MCULE-3962084059 [0,1,1,0,0,0|1,0,1]=4 2193 B7R0.4 CCSCCC(=O)O MCULE-9385724904 [0,1,1,0,0,0|1,0,1]=4 2194 B7R0.4 CNCCCC(=O)N MCULE-8337447772 [0,1,1,0,0,0|1,0,1]=4 2195 B7R0.4 CNCCCC(=O)N MCULE-9037809827 [0,1,1,0,0,0|1,0,1]=4 2196 B7R0.4 CNCCCC(=O)O MCULE-7598762485 [0,1,1,0,0,0|1,0,1]=4 2197 B7R0.4 CNCCCC(=O)O MCULE-7877286915 [0,1,1,0,0,0|1,0,1]=4 2198 B7R0.4 CNCCNC(=O)C MCULE-5361712613 [0,1,1,0,0,0|1,0,1]=4 2199 B7R0.4 CNCCNC(=O)C MCULE-9798024696 [0,1,1,0,0,0|1,0,1]=4 2200 B7R0.4 CNCCOC(=O)C MCULE-1850077864 [0,1,1,0,0,0|1,0,1]=4 2201 B7R0.4 CNCCOC(=O)C MCULE-7023987942 [0,1,1,0,0,0|1,0,1]=4 2202 B7R0.4 COC/C=C/C(=O)O MCULE-7555080897 [0,1,1,0,0,0|1,0,0]=3 2203 B7R0.4 COCC=CC(=O)O MCULE-5702384430 [0,1,1,0,0,0|1,0,0]=3 2204 B7R0.4 COCCCC(=O)C MCULE-3606369396 [0,1,1,0,0,0|0,0,2]=4 2205 B7R0.4 COCCCC(=O)O MCULE-3165881573 [0,1,1,0,0,0|1,0,1]=4 2206 B7R0.4 COCCNC(=O)C MCULE-2794263612 [0,1,1,0,0,0|1,0,1]=4 2207 B7R0.4 COCCOC(=O)C MCULE-3221264060 [0,1,1,0,0,0|1,0,1]=4 2208 B7R0.4 CSCC=CC(=O)O MCULE-8220760222 [0,1,1,0,0,0|1,0,0]=3 2209 B7R0.4 CSCCCC(=O)O MCULE-2126637794 [0,1,1,0,0,0|1,0,1]=4 2210 B7R0.4 CSCCNC(=O)C MCULE-2739431878 [0,1,1,0,0,0|1,0,1]=4 2211 B7R0.4 CSCCOC(=O)C MCULE-3742242959 [0,1,1,0,0,0|1,0,1]=4 2212 B7R0.4 N#CCCCC(=O)O MCULE-9921837071 [0,1,1,0,0,0|1,0,1]=4 2213 B7R0.4 NC(=O)CCCCBr MCULE-4949681497 [0,1,1,0,0,0|1,0,1]=4 2214 B7R0.4 NC(=O)CCCCCl MCULE-7937142112 [0,1,1,0,0,0|1,0,1]=4 2215 B7R0.4 NC(=O)CCCCO MCULE-4820227146 [0,1,1,0,0,0|1,0,1]=4 2216 B7R0.4 NC(=O)COCCCl MCULE-1141300697 [0,1,1,0,0,0|2,0,0]=4 2217 B7R0.4 NC(=O)COCCO MCULE-3158372920 [0,1,1,0,0,0|2,0,0]=4 2218 B7R0.4 NC(=O)CSCCO MCULE-8225407259 [0,1,1,0,0,0|2,0,0]=4 2219 B7R0.4 NC(=O)NCCCO MCULE-3167491311 [0,1,1,0,0,0|2,0,0]=4 2220 B7R0.4 NCCCCC(=O)N MCULE-3198962228 [0,1,1,0,0,0|1,0,1]=4 2221 B7R0.4 NCCCCC(=O)N MCULE-7986221705 [0,1,1,0,0,0|1,0,1]=4 2222 B7R0.4 NCCCCC(=O)O MCULE-1155829905 [0,1,1,0,0,0|1,0,1]=4 2223 B7R0.4 NCCCCC(=O)O MCULE-3920398524 [0,1,1,0,0,0|1,0,1]=4 2224 B7R0.4 NCCCCC(=O)O MCULE-4404796498 [0,1,1,0,0,0|1,0,1]=4 2225 B7R0.4 NCCCCC(=O)O MCULE-4971679857 [0,1,1,0,0,0|1,0,1]=4 2226 B7R0.4 NCCCNC(=O)N MCULE-1109440921 [0,1,1,0,0,0|2,0,0]=4 2227 B7R0.4 NCCCNC(=O)N MCULE-3933221897 [0,1,1,0,0,0|2,0,0]=4 2228 B7R0.4 NCCNCC(=O)O MCULE-9689592343 [0,1,1,0,0,0|2,0,0]=4 2229 B7R0.4 NCCNCC(=O)O MCULE-9795251557 [0,1,1,0,0,0|2,0,0]=4 2230 B7R0.4 NCCOCC(=O)O MCULE-2375694645 [0,1,1,0,0,0|2,0,0]=4 2231 B7R0.4 NCCOCC(=O)O MCULE-5877065986 [0,1,1,0,0,0|2,0,0]=4 2232 B7R0.4 NCCSCC(=O)O MCULE-5565800206 [0,1,1,0,0,0|2,0,0]=4 2233 B7R0.4 NCCSCC(=O)O MCULE-8322098978 [0,1,1,0,0,0|2,0,0]=4 2234 B7R0.4 NOCCCC(=O)O MCULE-4102473285 [0,1,1,0,0,0|2,0,0]=4 2235 B7R0.4 NOCCCC(=O)O MCULE-7068985203 [0,1,1,0,0,0|2,0,0]=4 2236 B7R0.4 O=C(Cl)CCCCBr MCULE-5574450546 [0,1,1,0,0,0|1,0,1]=4 2237 B7R0.4 O=C(Cl)CCCCCl MCULE-9605707894 [0,1,1,0,0,0|1,0,1]=4 2238 B7R0.4 O=C(Cl)CCCCF MCULE-8110878511 [0,1,1,0,0,0|1,0,1]=4 2239 B7R0.4 O=C(Cl)COCCCl MCULE-9707252778 [0,1,1,0,0,0|2,0,0]=4 2240 B7R0.4 O=C(Cl)OCCCCl MCULE-2619287385 [0,1,1,0,0,0|2,0,0]=4 2241 B7R0.4 O=C(Cl)OCCCF MCULE-4930474319 [0,1,1,0,0,0|2,0,0]=4 2242 B7R0.4 O=C(O)CCC=CBr MCULE-1826887170 [0,1,1,0,0,0|1,0,1]=4 2243 B7R0.4 O=C(O)CCCCBr MCULE-2655919094 [0,1,1,0,0,0|1,0,1]=4 2244 B7R0.4 O=C(O)CCCCCl MCULE-4094641005 [0,1,1,0,0,0|1,0,1]=4 2245 B7R0.4 O=C(O)CCCCO MCULE-8816195933 [0,1,1,0,0,0|1,0,1]=4 2246 B7R0.4 O=C(O)CCCCS MCULE-2427465795 [0,1,1,0,0,0|1,0,1]=4 2247 B7R0.4 O=C(O)CNCCO MCULE-7501311949 [0,1,1,0,0,0|2,0,0]=4 2248 B7R0.4 O=C(O)COCCBr MCULE-4593325557 [0,1,1,0,0,0|2,0,0]=4 2249 B7R0.4 O=C(O)COCCCl MCULE-2978816248 [0,1,1,0,0,0|2,0,0]=4 2250 B7R0.4 O=C(O)COCCF MCULE-9820799514 [0,1,1,0,0,0|2,0,0]=4 2251 B7R0.4 O=C(O)COCCO MCULE-8297137880 [0,1,1,0,0,0|2,0,0]=4 2252 B7R0.4 O=C(O)CSCCCl MCULE-5204967583 [0,1,1,0,0,0|2,0,0]=4 2253 B7R0.4 O=C(O)CSCCO MCULE-1062560307 [0,1,1,0,0,0|2,0,0]=4 2254 B7R0.4 O=C([O-])CCCCO MCULE-3836827182 [0,1,1,0,0,0|1,0,1]=4 2255 B7R0.4 O=C([O-])COCCO MCULE-7093344226 [0,1,1,0,0,0|2,0,0]=4 2256 B7R0.4 O=CCCCC(=O)O MCULE-8389457571 [0,1,1,0,0,0|1,0,0]=3 2257 B7R0.6 C=C(Br)CCC(=O)O MCULE-5257916083 [0,1,1,0,0,0|1,0,1]=4 2258 B7R0.6 C=C(C)CCC(=C)C MCULE-6018302318 [0,1,1,0,0,0|1,0,1]=4 2259 B7R0.6 C=C(C)CCC(=O)C MCULE-4201277876 [0,1,1,0,0,0|0,0,2]=4 2260 B7R0.6 C=C(C)CCC(=O)N MCULE-7602727888 [0,1,1,0,0,0|1,0,1]=4 2261 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [0,1,1,0,0,0|1,0,1]=4 2262 B7R0.6 C=C(C)CCC(C)Br MCULE-6437209576 [0,1,1,0,0,0|1,0,1]=4 2263 B7R0.6 C=C(C)CCC(C)C MCULE-2459654294 [0,1,1,0,0,0|1,0,1]=4 2264 B7R0.6 C=C(C)CCC(C)N MCULE-9861269774 [0,1,1,0,0,0|1,0,1]=4 2265 B7R0.6 C=C(C)CCC(C)O MCULE-5005514248 [0,1,1,0,0,0|1,0,1]=4 2266 B7R0.6 C=C(Cl)CCC(=O)O MCULE-8617886776 [0,1,1,0,0,0|1,0,1]=4 2267 B7R0.6 CC(=CC=C(C)C)C MCULE-9852692083 [0,1,1,0,0,0|1,0,1]=4 2268 B7R0.6 CC(=CCC(C)C)C MCULE-5578852998 [0,1,1,0,0,0|1,0,1]=4 2269 B7R0.6 CC(=O)/C=C/C(=O)O MCULE-8768861026 [0,1,1,0,0,0|1,0,1]=4 2270 B7R0.6 CC(=O)/C=C/N(C)C MCULE-7703636114 [0,1,1,0,0,0|1,0,0]=3 2271 B7R0.6 CC(=O)C=CC(=O)C MCULE-9472466140 [0,1,1,0,0,0|0,0,1]=3 2272 B7R0.6 CC(=O)C=CC(=O)Cl MCULE-8865772819 [0,1,1,0,0,0|1,0,1]=4 2273 B7R0.6 CC(=O)C=CC(=O)O MCULE-6867353277 [0,1,1,0,0,0|1,0,1]=4 2274 B7R0.6 CC(=O)C=CC(C)C MCULE-7908862390 [0,1,1,0,0,0|0,0,0]=2 2275 B7R0.6 CC(=O)C=CN(C)C MCULE-2800987098 [0,1,1,0,0,0|1,0,0]=3 2276 B7R0.6 CC(=O)CCC(C)C MCULE-8518693213 [0,1,1,0,0,0|0,0,2]=4 2277 B7R0.6 CC(=O)CCC(F)F MCULE-3009814756 [0,1,1,0,0,0|1,0,1]=4 2278 B7R0.6 CC(=O)CNC(C)C MCULE-2033555652 [0,1,1,0,0,0|1,0,1]=4 2279 B7R0.6 CC(=O)CNC(C)C MCULE-2990661777 [0,1,1,0,0,0|1,0,1]=4 2280 B7R0.6 CC(=O)COC(C)C MCULE-4426769810 [0,1,1,0,0,0|1,0,1]=4 2281 B7R0.6 CC(=O)CSC(C)C MCULE-6486341454 [0,1,1,0,0,0|1,0,1]=4 2282 B7R0.6 CC(=O)NCC(C)O MCULE-2406798273 [0,1,1,0,0,0|1,0,1]=4 2283 B7R0.6 CC(=O)NNC(C)C MCULE-8896858149 [0,1,1,0,0,0|2,0,0]=4 2284 B7R0.6 CC(=O)OCC(C)C MCULE-4530584087 [0,1,1,0,0,0|1,0,1]=4 2285 B7R0.6 CC(=O)OCC(C)O MCULE-3660209140 [0,1,1,0,0,0|1,0,1]=4 2286 B7R0.6 CC(C)/C=C/C(=O)O MCULE-1713089516 [0,1,1,0,0,0|1,0,0]=3 2287 B7R0.6 CC(C)/C=C/N(=O)=O MCULE-8386755735 [0,1,1,0,0,0|2,0,0]=4 2288 B7R0.6 CC(C)C=CC(=O)O MCULE-3981825295 [0,1,1,0,0,0|1,0,0]=3 2289 B7R0.6 CC(C)C=C[N+](=O)[O-] MCULE-1892466644 [0,1,1,0,0,0|2,0,0]=4 2290 B7R0.6 CC(C)CCC(=O)Cl MCULE-6874903195 [0,1,1,0,0,0|1,0,1]=4 2291 B7R0.6 CC(C)CCC(=O)N MCULE-3571818514 [0,1,1,0,0,0|1,0,1]=4 2292 B7R0.6 CC(C)CCC(=O)O MCULE-7691755837 [0,1,1,0,0,0|1,0,1]=4 2293 B7R0.6 CC(Cl)CCC(=O)Cl MCULE-3066199297 [0,1,1,0,0,0|1,0,1]=4 2294 B7R0.6 CC(N)CCC(=O)O MCULE-3711689460 [0,1,1,0,0,0|1,0,1]=4 2295 B7R0.6 CC(N)CCC(=O)O MCULE-5008572656 [0,1,1,0,0,0|1,0,1]=4 2296 B7R0.6 CC(O)C=CC(C)O MCULE-1362403822 [0,1,1,0,0,0|0,0,2]=4 2297 B7R0.6 CC(O)CCC(=O)O MCULE-6352217997 [0,1,1,0,0,0|1,0,1]=4 2298 B7R0.6 CC(O)CCC(=O)[O-] MCULE-5872581098 [0,1,1,0,0,0|1,0,1]=4 2299 B7R0.6 CC(S)CCC(=O)O MCULE-9612173883 [0,1,1,0,0,0|1,0,1]=4 2300 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-3295260637 [0,1,1,0,0,0|1,0,1]=4 2301 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-5409083898 [0,1,1,0,0,0|1,0,1]=4 2302 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-6530230723 [0,1,1,0,0,0|1,0,1]=4 2303 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-7530095699 [0,1,1,0,0,0|1,0,1]=4 2304 B7R0.6 C[C@H](N)CCC(=O)O MCULE-3621527632 [0,1,1,0,0,0|1,0,1]=4 2305 B7R0.6 C[C@H](N)CCC(=O)O MCULE-7670557122 [0,1,1,0,0,0|1,0,1]=4 2306 B7R0.6 O=C(O)C=CC(F)F MCULE-5853046592 [0,1,1,0,0,0|2,0,0]=4 2307 B7R0.6 O=C(O)CCC(F)F MCULE-6002651269 [0,1,1,0,0,0|2,0,0]=4 2308 B7R0.6 O=C([O-])C=CC([O-])O MCULE-6492820393 [0,1,1,0,0,0|2,0,0]=4 2309 B7R0.8 C(=CC(C)(C)C)CC MCULE-9989939606 [0,1,1,0,0,0|1,0,1]=4 2310 B7R0.8 CC/C=C/P(=O)(O)O MCULE-7978096920 [0,1,1,0,0,0|2,0,0]=4 2311 B7R0.8 CS(=O)(=O)C=CCBr MCULE-2706306694 [0,1,1,0,0,0|2,0,0]=4 2312 B7R0.8 CS(=O)(=O)C=CCN MCULE-2459661826 [0,1,1,0,0,0|2,0,0]=4 2313 B7R0.8 CS(=O)(=O)C=CCN MCULE-8330183267 [0,1,1,0,0,0|2,0,0]=4 2314 B7R0.1 C#CCCCCC=O MCULE-2019630243 [0,1,1,0,0,0|0,0,2]=4 2315 B7R0.1 C/C=C/CCCCC MCULE-6911363331 [0,1,1,0,0,0|1,0,1]=4 2316 B7R0.1 C/C=C\CCCCC MCULE-9470036254 [0,1,1,0,0,0|1,0,1]=4 2317 B7R0.1 C=CCC=CCCC MCULE-5753699682 [0,1,1,0,0,0|1,0,0]=3 2318 B7R0.1 C=CCCCCC#N MCULE-5195400885 [0,1,1,0,0,0|1,0,1]=4 2319 B7R0.1 C=CCCCCC=C MCULE-9285021489 [0,1,1,0,0,0|1,0,0]=3 2320 B7R0.1 C=CCCCCC=O MCULE-6786275827 [0,1,1,0,0,0|0,0,0]=2 2321 B7R0.1 C=CCCCCCBr MCULE-7782876660 [0,1,1,0,0,0|1,0,1]=4 2322 B7R0.1 C=CCCCCCC MCULE-6867393536 [0,1,1,0,0,0|1,0,1]=4 2323 B7R0.1 C=CCCCCCCl MCULE-2205880878 [0,1,1,0,0,0|1,0,1]=4 2324 B7R0.1 C=CCCCCCI MCULE-1823596954 [0,1,1,0,0,0|1,0,1]=4 2325 B7R0.1 C=CCCCCCN MCULE-2913783474 [0,1,1,0,0,0|1,0,1]=4 2326 B7R0.1 C=CCCCCCN MCULE-9545708862 [0,1,1,0,0,0|1,0,1]=4 2327 B7R0.1 C=CCCCCCO MCULE-1200112990 [0,1,1,0,0,0|0,0,2]=4 2328 B7R0.1 C=CCCCCNC MCULE-3676018759 [0,1,1,0,0,0|1,0,1]=4 2329 B7R0.1 C=CCCCCNC MCULE-9443600983 [0,1,1,0,0,0|1,0,1]=4 2330 B7R0.1 C=CCCCCON MCULE-1155744928 [0,1,1,0,0,0|0,0,2]=4 2331 B7R0.1 C=CCCCCON MCULE-1741904620 [0,1,1,0,0,0|0,0,2]=4 2332 B7R0.1 C=CCCCN=C=S MCULE-8494947981 [0,1,1,0,0,0|0,1,1]=4 2333 B7R0.1 C=CCCCNCC MCULE-2141378110 [0,1,1,0,0,0|1,0,1]=4 2334 B7R0.1 C=CCCCNCC MCULE-4269657694 [0,1,1,0,0,0|1,0,1]=4 2335 B7R0.1 C=CCCCOCCl MCULE-1172012073 [0,1,1,0,0,0|1,0,1]=4 2336 B7R0.1 C=CCCNCC=C MCULE-3056921517 [0,1,1,0,0,0|1,0,0]=3 2337 B7R0.1 C=CCCNCCO MCULE-8357008337 [0,1,1,0,0,0|0,0,2]=4 2338 B7R0.1 C=CCCOCCN MCULE-5958891740 [0,1,1,0,0,0|1,0,1]=4 2339 B7R0.1 C=CCCOCCO MCULE-5369849290 [0,1,1,0,0,0|0,0,2]=4 2340 B7R0.1 C=CCCSCCN MCULE-5541844264 [0,1,1,0,0,0|1,0,1]=4 2341 B7R0.1 C=CCNCCC#N MCULE-5558306546 [0,1,1,0,0,0|1,0,1]=4 2342 B7R0.1 C=CCNCCC#N MCULE-9740464837 [0,1,1,0,0,0|1,0,1]=4 2343 B7R0.1 C=CCNCCOC MCULE-6576578655 [0,1,1,0,0,0|2,0,0]=4 2344 B7R0.1 C=CCOCCC=O MCULE-3332311483 [0,1,1,0,0,0|0,0,0]=2 2345 B7R0.1 C=CCOCCCBr MCULE-7892533278 [0,1,1,0,0,0|1,0,1]=4 2346 B7R0.1 C=CCOCCCC MCULE-2214755289 [0,1,1,0,0,0|1,0,1]=4 2347 B7R0.1 C=CCOCCCN MCULE-4862923195 [0,1,1,0,0,0|1,0,1]=4 2348 B7R0.1 C=CCOCCOC MCULE-7363927527 [0,1,1,0,0,0|2,0,0]=4 2349 B7R0.1 C=CCSCCCC MCULE-4868736488 [0,1,1,0,0,0|1,0,1]=4 2350 B7R0.1 C=CCSSCC=C MCULE-7486690483 [0,1,1,0,0,0|2,0,0]=4 2351 B7R0.1 C=COCCCCC MCULE-4024159480 [0,1,1,0,0,0|1,0,1]=4 2352 B7R0.1 C=COCCCCO MCULE-3537265926 [0,1,1,0,0,0|0,0,2]=4 2353 B7R0.1 CC#CCCCC=O MCULE-9621727341 [0,1,1,0,0,0|0,0,2]=4 2354 B7R0.1 CC/C=C/CCCC MCULE-7439146649 [0,1,1,0,0,0|1,0,1]=4 2355 B7R0.1 CC/C=C\CCC=O MCULE-5862165111 [0,1,1,0,0,0|0,0,2]=4 2356 B7R0.1 CC/C=C\CCCO MCULE-7890119012 [0,1,1,0,0,0|1,0,1]=4 2357 B7R0.1 CC=CCCCCC MCULE-7111489659 [0,1,1,0,0,0|1,0,1]=4 2358 B7R0.1 CC=CCCCCO MCULE-8707373340 [0,1,1,0,0,0|0,0,2]=4 2359 B7R0.1 CCC/C=C/CCC MCULE-4580411068 [0,1,1,0,0,0|1,0,1]=4 2360 B7R0.1 CCC/C=C\CCC MCULE-3832748741 [0,1,1,0,0,0|1,0,1]=4 2361 B7R0.1 CCC=CC=CC=O MCULE-2064802795 [0,1,1,0,0,0|0,0,1]=3 2362 B7R0.1 CCC=CC=CCO MCULE-7908131221 [0,1,1,0,0,0|0,0,2]=4 2363 B7R0.1 CCC=CCCC=O MCULE-1386777548 [0,1,1,0,0,0|0,0,2]=4 2364 B7R0.1 CCC=CCCCC MCULE-9716720293 [0,1,1,0,0,0|1,0,1]=4 2365 B7R0.1 CCC=CCCCO MCULE-9620732691 [0,1,1,0,0,0|1,0,1]=4 2366 B7R0.1 CCCC/C=C/C=O MCULE-1260131686 [0,1,1,0,0,0|0,0,0]=2 2367 B7R0.1 CCCC/C=C/CO MCULE-5404793542 [0,1,1,0,0,0|0,0,2]=4 2368 B7R0.1 CCCC=CCCC MCULE-6897310592 [0,1,1,0,0,0|1,0,1]=4 2369 B7R0.1 CCCC=CCCCl MCULE-5580394901 [0,1,1,0,0,0|1,0,1]=4 2370 B7R0.1 CCCCC#CC=O MCULE-6973833394 [0,1,1,0,0,0|0,0,2]=4 2371 B7R0.1 CCCCC=CC=O MCULE-6776317009 [0,1,1,0,0,0|0,0,0]=2 2372 B7R0.1 CCCCC=CCBr MCULE-2427659057 [0,1,1,0,0,0|1,0,1]=4 2373 B7R0.1 CCCCC=CCO MCULE-7891403223 [0,1,1,0,0,0|0,0,2]=4 2374 B7R0.1 CCCCCC=CI MCULE-9964634818 [0,1,1,0,0,0|1,0,1]=4 2375 B7R0.1 CCCCCCC=O MCULE-5251820425 [0,1,1,0,0,0|0,0,2]=4 2376 B7R0.1 CCCCCOC=O MCULE-2718009140 [0,1,1,0,0,0|0,0,2]=4 2377 B7R0.1 COCCOCC=O MCULE-2621317944 [0,1,1,0,0,0|1,0,1]=4 2378 B7R0.1 COCOCCC=O MCULE-3632276453 [0,1,1,0,0,0|1,0,1]=4 2379 B7R0.1 N#N=NCCCC=O MCULE-1592256561 [0,1,1,0,0,0|2,0,0]=4 2380 B7R0.1 O=CCCCCC=O MCULE-3751145550 [0,1,1,0,0,0|0,0,1]=3 2381 B7R0.1 O=CCCCCCBr MCULE-7014516847 [0,1,1,0,0,0|0,0,2]=4 2382 B7R0.1 O=CCCCCCCl MCULE-8269912560 [0,1,1,0,0,0|0,0,2]=4 2383 B7R0.1 O=CCCCCCF MCULE-8174281286 [0,1,1,0,0,0|0,0,2]=4 2384 B7R0.1 O=CCCCCCO MCULE-3978349845 [0,1,1,0,0,0|0,0,2]=4 2385 B7R0.1 O=CCCCCCO MCULE-4997016680 [0,1,1,0,0,0|0,0,2]=4 2386 B7R0.1 O=CNCCNC=O MCULE-8845509869 [0,1,1,0,0,0|2,0,0]=4 2387 B7R0.1 O=COCCOC=O MCULE-6942322322 [0,1,1,0,0,0|2,0,0]=4 2388 B7R1.1 BrCC1=CCCC1 MCULE-9208619526 [0,1,0,0,1,0|1,0,0]=3 2389 B7R1.1 BrCC1C=CCC1 MCULE-4270104932 [0,1,0,0,1,0|1,0,1]=4 2390 B7R1.1 CC=C1CCCC1 MCULE-9763131004 [0,1,0,0,1,0|1,0,1]=4 2391 B7R1.1 CCC1=CCCC1 MCULE-5154730597 [0,1,0,0,1,0|1,0,0]=3 2392 B7R1.1 COC1=CCCC1 MCULE-6260649761 [0,1,0,0,1,0|0,0,1]=3 2393 B7R1.1 COC1=CCCN1 MCULE-6283476666 [0,1,0,0,1,0|1,0,1]=4 2394 B7R1.1 COC1=NCCC1 MCULE-2625712954 [0,1,0,0,1,0|1,0,1]=4 2395 B7R1.1 N#CC1=CCCC1 MCULE-5654080085 [0,1,0,0,1,0|1,0,0]=3 2396 B7R1.1 NCC1C=CCC1 MCULE-5829076156 [0,1,0,0,1,0|1,0,1]=4 2397 B7R1.1 NCC1C=CCC1 MCULE-8381701177 [0,1,0,0,1,0|1,0,1]=4 2398 B7R1.1 O/N=C/1\CCCN1 MCULE-9494233692 [0,1,0,0,1,0|1,0,1]=4 2399 B7R1.1 O=CC1=CC=CN1 MCULE-4586543663 [0,1,0,0,1,0|1,0,1]=4 2400 B7R1.1 O=CC1=CC=CO1 MCULE-5757882837 [0,1,0,0,1,0|1,0,1]=4 2401 B7R1.1 O=CC1=CC=CS1 MCULE-8254409353 [0,1,0,0,1,0|1,0,1]=4 2402 B7R1.1 O=CC1=CC=C[Se]1 MCULE-2409744709 [0,1,0,0,1,0|1,0,1]=4 2403 B7R1.1 O=CC1=CC=NO1 MCULE-9603824695 [0,1,0,0,1,0|2,0,0]=4 2404 B7R1.1 O=CC1=CC=NS1 MCULE-1236687243 [0,1,0,0,1,0|2,0,0]=4 2405 B7R1.1 O=CC1=CCCC1 MCULE-2270030217 [0,1,0,0,1,0|0,0,0]=2 2406 B7R1.1 O=CC1=CCCO1 MCULE-3464963164 [0,1,0,0,1,0|1,0,0]=3 2407 B7R1.1 O=CC1=CCSC1 MCULE-9591036145 [0,1,0,0,1,0|1,0,0]=3 2408 B7R1.1 O=CC1=CNC=C1 MCULE-2454944558 [0,1,0,0,1,0|1,0,1]=4 2409 B7R1.1 O=CC1=COC=C1 MCULE-4433731812 [0,1,0,0,1,0|1,0,1]=4 2410 B7R1.1 O=CC1=CSC=C1 MCULE-4096224591 [0,1,0,0,1,0|1,0,1]=4 2411 B7R1.1 O=CC1=NNC=C1 MCULE-5970837649 [0,1,0,0,1,0|2,0,0]=4 2412 B7R1.1 O=CC1=NOC=C1 MCULE-6315054980 [0,1,0,0,1,0|2,0,0]=4 2413 B7R1.1 O=CC1=NSC=C1 MCULE-2006644927 [0,1,0,0,1,0|2,0,0]=4 2414 B7R1.1 O=CC1CCCC1 MCULE-4938681495 [0,1,0,0,1,0|0,0,2]=4 2415 B7R1.1 O=CC1CCCO1 MCULE-4587605451 [0,1,0,0,1,0|1,0,1]=4 2416 B7R1.1 O=CN1CCCC1 MCULE-1922854302 [0,1,0,0,1,0|1,0,1]=4 2417 B7R1.1 O=NN1CCCC1 MCULE-8449068120 [0,1,0,0,1,0|1,0,1]=4 2418 B7R1.1 OCC1=CCCC1 MCULE-8850570361 [0,1,0,0,1,0|0,0,1]=3 2419 B7R1.1 OCC1C=CCC1 MCULE-1237002603 [0,1,0,0,1,0|0,0,2]=4 2420 B7R1.1 ON=C1CCCC1 MCULE-9338449832 [0,1,0,0,1,0|0,0,2]=4 2421 B7R1.2 BrC1C=CC(C1)Br MCULE-1382581877 [0,1,0,0,1,0|1,0,1]=4 2422 B7R1.2 C1(CNC(=O)C1)N MCULE-6663942203 [0,1,0,0,1,0|1,0,0]=3 2423 B7R1.2 C1(CNC(=O)C1)N MCULE-7862049809 [0,1,0,0,1,0|1,0,0]=3 2424 B7R1.2 C1(CNC(=O)C1)O MCULE-5557473335 [0,1,0,0,1,0|1,0,0]=3 2425 B7R1.2 C1(COC(=O)N1)C MCULE-2821940224 [0,1,0,0,1,0|2,0,0]=4 2426 B7R1.2 C=C1C=CC(=O)O1 MCULE-1046353319 [0,1,0,0,1,0|1,0,1]=4 2427 B7R1.2 C=C1CCC(=O)O1 MCULE-2485348963 [0,1,0,0,1,0|1,0,0]=3 2428 B7R1.2 CC1=CC(=O)CC1 MCULE-5496838191 [0,1,0,0,1,0|0,0,0]=2 2429 B7R1.2 CC1=CC(=O)CO1 MCULE-6570401610 [0,1,0,0,1,0|1,0,0]=3 2430 B7R1.2 CC1=CC(=O)N=N1 MCULE-8356895370 [0,1,0,0,1,0|2,0,0]=4 2431 B7R1.2 CC1=CC(=O)NO1 MCULE-4569959155 [0,1,0,0,1,0|2,0,0]=4 2432 B7R1.2 CC1=CC(=O)OC1 MCULE-6549202383 [0,1,0,0,1,0|1,0,0]=3 2433 B7R1.2 CC1=CCC(=O)O1 MCULE-5954539189 [0,1,0,0,1,0|1,0,1]=4 2434 B7R1.2 CC1=CCC(=O)O1 MCULE-7236091694 [0,1,0,0,1,0|1,0,1]=4 2435 B7R1.2 CC1=CCC(=O)S1 MCULE-5812502919 [0,1,0,0,1,0|1,0,1]=4 2436 B7R1.2 CC1=NC(CC1)C MCULE-9630685459 [0,1,0,0,1,0|2,0,0]=4 2437 B7R1.2 CC1C=CC(=O)O1 MCULE-7172637771 [0,1,0,0,1,0|1,0,0]=3 2438 B7R1.2 CC1CC(=O)CO1 MCULE-7022597277 [0,1,0,0,1,0|1,0,1]=4 2439 B7R1.2 CC1CC(=O)CS1 MCULE-7518365363 [0,1,0,0,1,0|1,0,1]=4 2440 B7R1.2 CC1CC(=O)NN1 MCULE-2056748401 [0,1,0,0,1,0|2,0,0]=4 2441 B7R1.2 CC1CC(=O)NN1 MCULE-8107476665 [0,1,0,0,1,0|2,0,0]=4 2442 B7R1.2 CC1CCC(=N1)N MCULE-3470792627 [0,1,0,0,1,0|2,0,0]=4 2443 B7R1.2 CC1CCC(=N1)N MCULE-7952001291 [0,1,0,0,1,0|2,0,0]=4 2444 B7R1.2 CC1CCC(=O)C1 MCULE-6716533429 [0,1,0,0,1,0|0,0,1]=3 2445 B7R1.2 CC1CCC(=O)N1 MCULE-8928464449 [0,1,0,0,1,0|1,0,0]=3 2446 B7R1.2 CC1CCC(=O)N1 MCULE-9236321365 [0,1,0,0,1,0|1,0,0]=3 2447 B7R1.2 CC1CCC(=O)O1 MCULE-3014789527 [0,1,0,0,1,0|1,0,0]=3 2448 B7R1.2 CC1CNC(=O)C1 MCULE-7180589009 [0,1,0,0,1,0|1,0,0]=3 2449 B7R1.2 CC1CNC(=O)N1 MCULE-3789430210 [0,1,0,0,1,0|2,0,0]=4 2450 B7R1.2 CC1CNC(=O)O1 MCULE-1288358267 [0,1,0,0,1,0|2,0,0]=4 2451 B7R1.2 CC1COC(=O)C1 MCULE-7226555218 [0,1,0,0,1,0|1,0,0]=3 2452 B7R1.2 CC1COC(=O)N1 MCULE-5787960105 [0,1,0,0,1,0|2,0,0]=4 2453 B7R1.2 CC1COC(=O)O1 MCULE-9055336051 [0,1,0,0,1,0|2,0,0]=4 2454 B7R1.2 CC1CSC(=O)S1 MCULE-5074098161 [0,1,0,0,1,0|2,0,0]=4 2455 B7R1.2 CC1NCC(=O)N1 MCULE-9790180398 [0,1,0,0,1,0|2,0,0]=4 2456 B7R1.2 CN1CCC(=O)C1 MCULE-4017029823 [0,1,0,0,1,0|1,0,1]=4 2457 B7R1.2 CN1CCC(=O)C1 MCULE-8684002131 [0,1,0,0,1,0|1,0,1]=4 2458 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-1621276410 [0,1,0,0,1,0|1,0,1]=4 2459 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-8721208019 [0,1,0,0,1,0|1,0,1]=4 2460 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-2915942259 [0,1,0,0,1,0|1,0,0]=3 2461 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-8123247569 [0,1,0,0,1,0|1,0,0]=3 2462 B7R1.2 C[C@@H]1CCC(=O)O1 MCULE-5934008113 [0,1,0,0,1,0|1,0,0]=3 2463 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-2439559922 [0,1,0,0,1,0|1,0,0]=3 2464 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-7246323100 [0,1,0,0,1,0|1,0,0]=3 2465 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-8336717940 [0,1,0,0,1,0|2,0,0]=4 2466 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-9661080313 [0,1,0,0,1,0|2,0,0]=4 2467 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1121808555 [0,1,0,0,1,0|1,0,0]=3 2468 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1627827491 [0,1,0,0,1,0|1,0,0]=3 2469 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-2439588002 [0,1,0,0,1,0|2,0,0]=4 2470 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-5329850427 [0,1,0,0,1,0|2,0,0]=4 2471 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-3187800510 [0,1,0,0,1,0|2,0,0]=4 2472 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-6719271655 [0,1,0,0,1,0|2,0,0]=4 2473 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-3272300487 [0,1,0,0,1,0|1,0,1]=4 2474 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-4583858198 [0,1,0,0,1,0|1,0,1]=4 2475 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-5135895304 [0,1,0,0,1,0|1,0,1]=4 2476 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-6058896534 [0,1,0,0,1,0|1,0,1]=4 2477 B7R1.2 C[C@H]1CCC(=O)C1 MCULE-7319626625 [0,1,0,0,1,0|0,0,1]=3 2478 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-2618122031 [0,1,0,0,1,0|1,0,0]=3 2479 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-6630066118 [0,1,0,0,1,0|1,0,0]=3 2480 B7R1.2 C[C@H]1CCC(=O)O1 MCULE-5274272771 [0,1,0,0,1,0|1,0,0]=3 2481 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-3395896178 [0,1,0,0,1,0|1,0,0]=3 2482 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-8492971593 [0,1,0,0,1,0|1,0,0]=3 2483 B7R1.2 C[C@H]1COC(=O)C1 MCULE-6050720348 [0,1,0,0,1,0|1,0,0]=3 2484 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7240884474 [0,1,0,0,1,0|2,0,0]=4 2485 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7811823319 [0,1,0,0,1,0|2,0,0]=4 2486 B7R1.2 C[C@H]1COC(=O)O1 MCULE-2416711374 [0,1,0,0,1,0|2,0,0]=4 2487 B7R1.2 C[C@H]1COC(=O)O1 MCULE-4223856214 [0,1,0,0,1,0|2,0,0]=4 2488 B7R1.2 N=C1CSC(=O)N1 MCULE-9647262906 [0,1,0,0,1,0|2,0,0]=4 2489 B7R1.2 NC1=CC(=O)CC1 MCULE-9465243079 [0,1,0,0,1,0|0,0,0]=2 2490 B7R1.2 NC1=CC(=O)CS1 MCULE-9118810823 [0,1,0,0,1,0|1,0,0]=3 2491 B7R1.2 NC1=CC(=O)NN1 MCULE-6721529473 [0,1,0,0,1,0|2,0,0]=4 2492 B7R1.2 NC1=NC(=O)CO1 MCULE-5739646901 [0,1,0,0,1,0|2,0,0]=4 2493 B7R1.2 NC1=NC(=O)CS1 MCULE-1329225872 [0,1,0,0,1,0|2,0,0]=4 2494 B7R1.2 NC1=NC(=O)CS1 MCULE-6008399337 [0,1,0,0,1,0|2,0,0]=4 2495 B7R1.2 NC1=NCC(=O)N1 MCULE-7816305365 [0,1,0,0,1,0|2,0,0]=4 2496 B7R1.2 NC1=NCC(=O)N1 MCULE-9546104284 [0,1,0,0,1,0|2,0,0]=4 2497 B7R1.2 NC1=NCC(=O)S1 MCULE-1885235061 [0,1,0,0,1,0|2,0,0]=4 2498 B7R1.2 NC1C=CC(C1)O MCULE-1250487700 [0,1,0,0,1,0|0,0,2]=4 2499 B7R1.2 NC1CCC(=O)C1 MCULE-5102535286 [0,1,0,0,1,0|0,0,1]=3 2500 B7R1.2 NC1CCC(=O)C1 MCULE-7722818264 [0,1,0,0,1,0|0,0,1]=3 2501 B7R1.2 NC1CCC(=O)N1 MCULE-1843033026 [0,1,0,0,1,0|1,0,0]=3 2502 B7R1.2 NC1CCC(=O)N1 MCULE-7671057220 [0,1,0,0,1,0|1,0,0]=3 2503 B7R1.2 NC1CCS(=O)C1 MCULE-7416029311 [0,1,0,0,1,0|1,0,1]=4 2504 B7R1.2 NC1CCS(=O)C1 MCULE-8914660363 [0,1,0,0,1,0|1,0,1]=4 2505 B7R1.2 NC1CNC(=O)C1 MCULE-1690074091 [0,1,0,0,1,0|1,0,0]=3 2506 B7R1.2 NC1CNC(=O)C1 MCULE-2563813057 [0,1,0,0,1,0|1,0,0]=3 2507 B7R1.2 NC1CNC(=O)C1 MCULE-5332234739 [0,1,0,0,1,0|1,0,0]=3 2508 B7R1.2 NC1CNC(=O)C1 MCULE-9955937074 [0,1,0,0,1,0|1,0,0]=3 2509 B7R1.2 NC1COC(=O)C1 MCULE-1027386953 [0,1,0,0,1,0|1,0,0]=3 2510 B7R1.2 NC1COC(=O)C1 MCULE-1493825051 [0,1,0,0,1,0|1,0,0]=3 2511 B7R1.2 NC1COC(=O)C1 MCULE-3118610284 [0,1,0,0,1,0|1,0,0]=3 2512 B7R1.2 NC1COC(=O)C1 MCULE-8194840985 [0,1,0,0,1,0|1,0,0]=3 2513 B7R1.2 NC1N=CC(=O)S1 MCULE-9874802810 [0,1,0,0,1,0|2,0,0]=4 2514 B7R1.2 NC1NC(=O)CS1 MCULE-5789159592 [0,1,0,0,1,0|2,0,0]=4 2515 B7R1.2 N[C@@H]1C=C[C@@H](C1)O MCULE-3439280280 [0,1,0,0,1,0|0,0,2]=4 2516 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-1502944618 [0,1,0,0,1,0|1,0,0]=3 2517 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-2444469131 [0,1,0,0,1,0|1,0,0]=3 2518 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-7277309874 [0,1,0,0,1,0|1,0,0]=3 2519 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-8533160250 [0,1,0,0,1,0|1,0,0]=3 2520 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-2437548952 [0,1,0,0,1,0|1,0,0]=3 2521 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4215135536 [0,1,0,0,1,0|1,0,0]=3 2522 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4884145743 [0,1,0,0,1,0|1,0,0]=3 2523 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-9276068415 [0,1,0,0,1,0|1,0,0]=3 2524 B7R1.2 N[C@H]1C=C[C@H](C1)O MCULE-2880951702 [0,1,0,0,1,0|0,0,2]=4 2525 B7R1.2 N[C@H]1C=C[C@H](C1)O MCULE-7715311088 [0,1,0,0,1,0|0,0,2]=4 2526 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-1884894725 [0,1,0,0,1,0|1,0,0]=3 2527 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-2130809002 [0,1,0,0,1,0|1,0,0]=3 2528 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-3881338264 [0,1,0,0,1,0|1,0,0]=3 2529 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-4324375667 [0,1,0,0,1,0|1,0,0]=3 2530 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-5900761307 [0,1,0,0,1,0|1,0,0]=3 2531 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-6007209179 [0,1,0,0,1,0|1,0,0]=3 2532 B7R1.2 N[C@H]1COC(=O)C1 MCULE-2936782126 [0,1,0,0,1,0|1,0,0]=3 2533 B7R1.2 N[C@H]1COC(=O)C1 MCULE-4255876921 [0,1,0,0,1,0|1,0,0]=3 2534 B7R1.2 N[C@H]1COC(=O)C1 MCULE-5377151477 [0,1,0,0,1,0|1,0,0]=3 2535 B7R1.2 N[C@H]1COC(=O)C1 MCULE-6406960509 [0,1,0,0,1,0|1,0,0]=3 2536 B7R1.2 O=C1C=C(CC1)Br MCULE-8421005141 [0,1,0,0,1,0|0,0,0]=2 2537 B7R1.2 O=C1C=C(CC1)Cl MCULE-4481059890 [0,1,0,0,1,0|0,0,0]=2 2538 B7R1.2 O=C1C=C(CC1)I MCULE-9887353763 [0,1,0,0,1,0|0,0,0]=2 2539 B7R1.2 O=C1C=C(CC1)O MCULE-4815747510 [0,1,0,0,1,0|0,0,0]=2 2540 B7R1.2 O=C1C=C(CN1)Br MCULE-7250904402 [0,1,0,0,1,0|1,0,0]=3 2541 B7R1.2 O=C1C=C(CN1)O MCULE-4305405716 [0,1,0,0,1,0|1,0,0]=3 2542 B7R1.2 O=C1C=C(CO1)Br MCULE-8883097432 [0,1,0,0,1,0|1,0,0]=3 2543 B7R1.2 O=C1C=C(CO1)O MCULE-5095558101 [0,1,0,0,1,0|1,0,0]=3 2544 B7R1.2 O=C1C=C(SN1)Cl MCULE-6118293142 [0,1,0,0,1,0|2,0,0]=4 2545 B7R1.2 O=C1C=CC(=O)C1 MCULE-7662591278 [0,1,0,0,1,0|0,0,1]=3 2546 B7R1.2 O=C1C=CC(=O)N1 MCULE-3677915339 [0,1,0,0,1,0|1,0,1]=4 2547 B7R1.2 O=C1C=CC(=O)O1 MCULE-5322674641 [0,1,0,0,1,0|1,0,1]=4 2548 B7R1.2 O=C1C=CC(C1)O MCULE-6464451546 [0,1,0,0,1,0|0,0,0]=2 2549 B7R1.2 O=C1C=CC(O1)Br MCULE-3933464968 [0,1,0,0,1,0|1,0,0]=3 2550 B7R1.2 O=C1C=CC(O1)O MCULE-7170809381 [0,1,0,0,1,0|1,0,0]=3 2551 B7R1.2 O=C1C=C[C@@H](C1)O MCULE-4535052390 [0,1,0,0,1,0|0,0,0]=2 2552 B7R1.2 O=C1C=C[C@H](C1)O MCULE-9347047598 [0,1,0,0,1,0|0,0,0]=2 2553 B7R1.2 O=C1CC(=CO1)O MCULE-3691688750 [0,1,0,0,1,0|1,0,1]=4 2554 B7R1.2 O=C1CC(CN1)O MCULE-8498039777 [0,1,0,0,1,0|1,0,0]=3 2555 B7R1.2 O=C1CC(CN1)S MCULE-3257609096 [0,1,0,0,1,0|1,0,0]=3 2556 B7R1.2 O=C1CC(CO1)O MCULE-3779919332 [0,1,0,0,1,0|1,0,0]=3 2557 B7R1.2 O=C1CC(CO1)O MCULE-5609071664 [0,1,0,0,1,0|1,0,0]=3 2558 B7R1.2 O=C1CCC(=O)C1 MCULE-6436831689 [0,1,0,0,1,0|0,0,1]=3 2559 B7R1.2 O=C1CCC(=O)N1 MCULE-8278049979 [0,1,0,0,1,0|1,0,0]=3 2560 B7R1.2 O=C1CCC(=O)O1 MCULE-1458819618 [0,1,0,0,1,0|1,0,0]=3 2561 B7R1.2 O=C1CCC(C1)F MCULE-9585894610 [0,1,0,0,1,0|0,0,1]=3 2562 B7R1.2 O=C1CCC(C1)I MCULE-5558007377 [0,1,0,0,1,0|0,0,1]=3 2563 B7R1.2 O=C1CCC(C1)O MCULE-8500536547 [0,1,0,0,1,0|0,0,1]=3 2564 B7R1.2 O=C1CCC(N1)O MCULE-1790956080 [0,1,0,0,1,0|1,0,0]=3 2565 B7R1.2 O=C1CCC(O1)F MCULE-6874239017 [0,1,0,0,1,0|1,0,0]=3 2566 B7R1.2 O=C1CCC(O1)O MCULE-5296344468 [0,1,0,0,1,0|1,0,0]=3 2567 B7R1.2 O=C1CNC(=O)C1 MCULE-6981924013 [0,1,0,0,1,0|1,0,1]=4 2568 B7R1.2 O=C1CNC(=O)N1 MCULE-6812812243 [0,1,0,0,1,0|2,0,0]=4 2569 B7R1.2 O=C1CNC(=O)O1 MCULE-7702120642 [0,1,0,0,1,0|2,0,0]=4 2570 B7R1.2 O=C1CNC(=O)S1 MCULE-5050685903 [0,1,0,0,1,0|2,0,0]=4 2571 B7R1.2 O=C1CNC(=S)N1 MCULE-3766479597 [0,1,0,0,1,0|2,0,0]=4 2572 B7R1.2 O=C1CNC(=S)S1 MCULE-4359186239 [0,1,0,0,1,0|2,0,0]=4 2573 B7R1.2 O=C1CNC(S1)S MCULE-9237115672 [0,1,0,0,1,0|2,0,0]=4 2574 B7R1.2 O=C1COC(=O)C1 MCULE-3258090872 [0,1,0,0,1,0|1,0,1]=4 2575 B7R1.2 O=C1COC(=O)N1 MCULE-3103815953 [0,1,0,0,1,0|2,0,0]=4 2576 B7R1.2 O=C1COC(=O)[N-]1 MCULE-2786348217 [0,1,0,0,1,0|2,0,0]=4 2577 B7R1.2 O=C1CSC(=O)N1 MCULE-8206580994 [0,1,0,0,1,0|2,0,0]=4 2578 B7R1.2 O=C1CSC(=S)N1 MCULE-8840169234 [0,1,0,0,1,0|2,0,0]=4 2579 B7R1.2 O=C1C[C@@H](CN1)O MCULE-2016792324 [0,1,0,0,1,0|1,0,0]=3 2580 B7R1.2 O=C1C[C@@H](CN1)O MCULE-9756194758 [0,1,0,0,1,0|1,0,0]=3 2581 B7R1.2 O=C1C[C@@H](CO1)O MCULE-1467506377 [0,1,0,0,1,0|1,0,0]=3 2582 B7R1.2 O=C1C[C@@H](CO1)O MCULE-3668466479 [0,1,0,0,1,0|1,0,0]=3 2583 B7R1.2 O=C1C[C@H](CN1)O MCULE-2017150152 [0,1,0,0,1,0|1,0,0]=3 2584 B7R1.2 O=C1C[C@H](CN1)O MCULE-5168961542 [0,1,0,0,1,0|1,0,0]=3 2585 B7R1.2 O=C1C[C@H](CN1)S MCULE-6980612759 [0,1,0,0,1,0|1,0,0]=3 2586 B7R1.2 O=C1C[C@H](CN1)S MCULE-7205538285 [0,1,0,0,1,0|1,0,0]=3 2587 B7R1.2 O=C1C[C@H](CO1)O MCULE-5756899897 [0,1,0,0,1,0|1,0,0]=3 2588 B7R1.2 O=C1C[C@H](CO1)O MCULE-6247095672 [0,1,0,0,1,0|1,0,0]=3 2589 B7R1.2 O=C1NC(=S)CS1 MCULE-8601205978 [0,1,0,0,1,0|2,0,0]=4 2590 B7R1.2 O=C1NCC(=S)N1 MCULE-9753398150 [0,1,0,0,1,0|2,0,0]=4 2591 B7R1.2 O=C1OCC(O1)Cl MCULE-4046020713 [0,1,0,0,1,0|2,0,0]=4 2592 B7R1.2 O=C1OCC(O1)F MCULE-7198712298 [0,1,0,0,1,0|2,0,0]=4 2593 B7R1.2 OC1C=CC(C1)O MCULE-9792113599 [0,1,0,0,1,0|0,0,2]=4 2594 B7R1.2 O[C@@H]1C=C[C@@H](C1)O MCULE-7187295032 [0,1,0,0,1,0|0,0,2]=4 2595 B7R1.2 S=C1CCC(=S)N1 MCULE-1793012495 [0,1,0,0,1,0|1,1,0]=4 2596 B7R1.2 [C@H]1(CCC(=O)C1)C MCULE-3827565169 [0,1,0,0,1,0|0,0,1]=3 2597 B7R1.4 BrC1=C(CCC1)Br MCULE-2617233515 [0,1,0,0,1,0|1,0,0]=3 2598 B7R1.4 C1(CCNC1=O)N MCULE-4906952813 [0,1,0,0,1,0|1,0,0]=3 2599 B7R1.4 C1(CCNC1=O)N MCULE-9500853209 [0,1,0,0,1,0|1,0,0]=3 2600 B7R1.4 C=C1CCCC1O MCULE-3026250203 [0,1,0,0,1,0|0,0,2]=4 2601 B7R1.4 C=C1CCNC1=O MCULE-2729105523 [0,1,0,0,1,0|1,0,0]=3 2602 B7R1.4 C=C1CCOC1=O MCULE-5907828600 [0,1,0,0,1,0|1,0,0]=3 2603 B7R1.4 CC1=CCCC1=O MCULE-3713655264 [0,1,0,0,1,0|0,0,0]=2 2604 B7R1.4 CC1=CCOC1=O MCULE-9785490540 [0,1,0,0,1,0|1,0,0]=3 2605 B7R1.4 CC1=CNNC1=O MCULE-9098077492 [0,1,0,0,1,0|2,0,0]=4 2606 B7R1.4 CC1CCCC1=O MCULE-3710290162 [0,1,0,0,1,0|0,0,1]=3 2607 B7R1.4 CC1CCNC1=O MCULE-7799644249 [0,1,0,0,1,0|1,0,0]=3 2608 B7R1.4 CC1CCOC1=O MCULE-2223078294 [0,1,0,0,1,0|1,0,0]=3 2609 B7R1.4 CC1CNCC1=O MCULE-2728909327 [0,1,0,0,1,0|1,0,1]=4 2610 B7R1.4 CC1CNCC1=O MCULE-9172381840 [0,1,0,0,1,0|1,0,1]=4 2611 B7R1.4 CC1COCC1=O MCULE-8115238635 [0,1,0,0,1,0|1,0,1]=4 2612 B7R1.4 CC1CSCC1=O MCULE-5611423322 [0,1,0,0,1,0|1,0,1]=4 2613 B7R1.4 CC1NCCC1=O MCULE-4206844406 [0,1,0,0,1,0|1,0,1]=4 2614 B7R1.4 CC1NCCC1=O MCULE-7025918222 [0,1,0,0,1,0|1,0,1]=4 2615 B7R1.4 CC1OCCC1=O MCULE-8278816952 [0,1,0,0,1,0|1,0,1]=4 2616 B7R1.4 CC1SCCC1=O MCULE-5264322365 [0,1,0,0,1,0|1,0,1]=4 2617 B7R1.4 CN1CC=CC1=O MCULE-7879549885 [0,1,0,0,1,0|1,0,0]=3 2618 B7R1.4 CN1CCCC1=O MCULE-1381506705 [0,1,0,0,1,0|1,0,0]=3 2619 B7R1.4 CN1CCCC1=S MCULE-1990879544 [0,1,0,0,1,0|1,1,0]=4 2620 B7R1.4 CN1CCNC1=O MCULE-9774864412 [0,1,0,0,1,0|2,0,0]=4 2621 B7R1.4 CN1CCOC1=O MCULE-7467321799 [0,1,0,0,1,0|2,0,0]=4 2622 B7R1.4 CN1CNCC1=O MCULE-2252466841 [0,1,0,0,1,0|2,0,0]=4 2623 B7R1.4 CN1NC=CC1=O MCULE-4425265471 [0,1,0,0,1,0|2,0,0]=4 2624 B7R1.4 CN1SC=CC1=O MCULE-3887229553 [0,1,0,0,1,0|2,0,0]=4 2625 B7R1.4 CN1SC=CC1=O MCULE-5825912822 [0,1,0,0,1,0|2,0,0]=4 2626 B7R1.4 C[C@@H]1CCNC1=O MCULE-1037883660 [0,1,0,0,1,0|1,0,0]=3 2627 B7R1.4 C[C@H]1CCNC1=O MCULE-9500360544 [0,1,0,0,1,0|1,0,0]=3 2628 B7R1.4 NC1=CCOC1=O MCULE-9089854091 [0,1,0,0,1,0|1,0,0]=3 2629 B7R1.4 NC1=CNNC1=O MCULE-5341060497 [0,1,0,0,1,0|2,0,0]=4 2630 B7R1.4 NC1=CNNC1=O MCULE-9560987259 [0,1,0,0,1,0|2,0,0]=4 2631 B7R1.4 NC1CCCC1=O MCULE-3654949473 [0,1,0,0,1,0|0,0,1]=3 2632 B7R1.4 NC1CCCC1=O MCULE-6579965788 [0,1,0,0,1,0|0,0,1]=3 2633 B7R1.4 NC1CCNC1=O MCULE-2061829370 [0,1,0,0,1,0|1,0,0]=3 2634 B7R1.4 NC1CCNC1=O MCULE-4272585488 [0,1,0,0,1,0|1,0,0]=3 2635 B7R1.4 NC1CCOC1=O MCULE-1011670330 [0,1,0,0,1,0|1,0,0]=3 2636 B7R1.4 NC1CCOC1=O MCULE-1366805966 [0,1,0,0,1,0|1,0,0]=3 2637 B7R1.4 NC1CCOC1=O MCULE-1874490478 [0,1,0,0,1,0|1,0,0]=3 2638 B7R1.4 NC1CCOC1=O MCULE-4434379753 [0,1,0,0,1,0|1,0,0]=3 2639 B7R1.4 NC1CCOC1=O MCULE-7302633352 [0,1,0,0,1,0|1,0,0]=3 2640 B7R1.4 NC1CCOC1=O MCULE-8009953591 [0,1,0,0,1,0|1,0,0]=3 2641 B7R1.4 NC1CCSC1=O MCULE-5181497015 [0,1,0,0,1,0|1,0,0]=3 2642 B7R1.4 NC1CCSC1=O MCULE-8775141567 [0,1,0,0,1,0|1,0,0]=3 2643 B7R1.4 NC1CONC1=O MCULE-3118867985 [0,1,0,0,1,0|2,0,0]=4 2644 B7R1.4 NC1CONC1=O MCULE-3159218372 [0,1,0,0,1,0|2,0,0]=4 2645 B7R1.4 NN1CCCC1=O MCULE-2994786381 [0,1,0,0,1,0|1,0,0]=3 2646 B7R1.4 NN1CCCC1=O MCULE-5599329775 [0,1,0,0,1,0|1,0,0]=3 2647 B7R1.4 NN1CCNC1=O MCULE-9094725216 [0,1,0,0,1,0|2,0,0]=4 2648 B7R1.4 NN1CCOC1=O MCULE-7407834106 [0,1,0,0,1,0|2,0,0]=4 2649 B7R1.4 NN1CCOC1=O MCULE-8091613930 [0,1,0,0,1,0|2,0,0]=4 2650 B7R1.4 N[C@@H]1CCNC1=O MCULE-2357766642 [0,1,0,0,1,0|1,0,0]=3 2651 B7R1.4 N[C@@H]1CCNC1=O MCULE-9089591546 [0,1,0,0,1,0|1,0,0]=3 2652 B7R1.4 N[C@@H]1CCNC1=O MCULE-9558758567 [0,1,0,0,1,0|1,0,0]=3 2653 B7R1.4 N[C@@H]1CCNC1=O MCULE-9668255740 [0,1,0,0,1,0|1,0,0]=3 2654 B7R1.4 N[C@@H]1CCOC1=O MCULE-1027751896 [0,1,0,0,1,0|1,0,0]=3 2655 B7R1.4 N[C@@H]1CCOC1=O MCULE-4034349263 [0,1,0,0,1,0|1,0,0]=3 2656 B7R1.4 N[C@@H]1CCOC1=O MCULE-8790782772 [0,1,0,0,1,0|1,0,0]=3 2657 B7R1.4 N[C@@H]1CCOC1=O MCULE-9300265861 [0,1,0,0,1,0|1,0,0]=3 2658 B7R1.4 N[C@@H]1CCSC1=O MCULE-1269968791 [0,1,0,0,1,0|1,0,0]=3 2659 B7R1.4 N[C@@H]1CCSC1=O MCULE-5374422420 [0,1,0,0,1,0|1,0,0]=3 2660 B7R1.4 N[C@@H]1CCSC1=O MCULE-8203732076 [0,1,0,0,1,0|1,0,0]=3 2661 B7R1.4 N[C@@H]1CCSC1=O MCULE-8418670804 [0,1,0,0,1,0|1,0,0]=3 2662 B7R1.4 N[C@@H]1CONC1=O MCULE-4212827696 [0,1,0,0,1,0|2,0,0]=4 2663 B7R1.4 N[C@@H]1CONC1=O MCULE-6014142329 [0,1,0,0,1,0|2,0,0]=4 2664 B7R1.4 N[C@H]1CCNC1=O MCULE-2327147408 [0,1,0,0,1,0|1,0,0]=3 2665 B7R1.4 N[C@H]1CCNC1=O MCULE-2923469662 [0,1,0,0,1,0|1,0,0]=3 2666 B7R1.4 N[C@H]1CCNC1=O MCULE-5882745021 [0,1,0,0,1,0|1,0,0]=3 2667 B7R1.4 N[C@H]1CCNC1=O MCULE-7846724738 [0,1,0,0,1,0|1,0,0]=3 2668 B7R1.4 N[C@H]1CCOC1=O MCULE-4393293388 [0,1,0,0,1,0|1,0,0]=3 2669 B7R1.4 N[C@H]1CCOC1=O MCULE-4751602783 [0,1,0,0,1,0|1,0,0]=3 2670 B7R1.4 N[C@H]1CCOC1=O MCULE-7924572479 [0,1,0,0,1,0|1,0,0]=3 2671 B7R1.4 N[C@H]1CCOC1=O MCULE-8545644747 [0,1,0,0,1,0|1,0,0]=3 2672 B7R1.4 N[C@H]1CCOC1=O MCULE-8634641228 [0,1,0,0,1,0|1,0,0]=3 2673 B7R1.4 N[C@H]1CCSC1=O MCULE-4497814170 [0,1,0,0,1,0|1,0,0]=3 2674 B7R1.4 N[C@H]1CCSC1=O MCULE-6209097230 [0,1,0,0,1,0|1,0,0]=3 2675 B7R1.4 N[C@H]1CCSC1=O MCULE-6419348515 [0,1,0,0,1,0|1,0,0]=3 2676 B7R1.4 N[C@H]1CCSC1=O MCULE-9091827364 [0,1,0,0,1,0|1,0,0]=3 2677 B7R1.4 N[C@H]1CONC1=O MCULE-4286940154 [0,1,0,0,1,0|2,0,0]=4 2678 B7R1.4 N[C@H]1CONC1=O MCULE-9925977120 [0,1,0,0,1,0|2,0,0]=4 2679 B7R1.4 O=C1CCC=C1Br MCULE-1509582125 [0,1,0,0,1,0|0,0,0]=2 2680 B7R1.4 O=C1CCC=C1I MCULE-2710048446 [0,1,0,0,1,0|0,0,0]=2 2681 B7R1.4 O=C1CCC=C1O MCULE-8745661989 [0,1,0,0,1,0|0,0,0]=2 2682 B7R1.4 O=C1CCCC1=O MCULE-8040167119 [0,1,0,0,1,0|0,0,0]=2 2683 B7R1.4 O=C1CCCC1Br MCULE-3651373380 [0,1,0,0,1,0|0,0,1]=3 2684 B7R1.4 O=C1CCCC1Cl MCULE-7745647260 [0,1,0,0,1,0|0,0,1]=3 2685 B7R1.4 O=C1CCCC1F MCULE-8001765295 [0,1,0,0,1,0|0,0,1]=3 2686 B7R1.4 O=C1CCCC1O MCULE-6795188798 [0,1,0,0,1,0|0,0,1]=3 2687 B7R1.4 O=C1CCNC1=O MCULE-6243503430 [0,1,0,0,1,0|1,0,0]=3 2688 B7R1.4 O=C1NCCC1Br MCULE-5321265801 [0,1,0,0,1,0|1,0,0]=3 2689 B7R1.4 O=C1NCCC1Cl MCULE-1663035789 [0,1,0,0,1,0|1,0,0]=3 2690 B7R1.4 O=C1NCCC1F MCULE-2209899044 [0,1,0,0,1,0|1,0,0]=3 2691 B7R1.4 O=C1NCCC1O MCULE-8818841339 [0,1,0,0,1,0|1,0,0]=3 2692 B7R1.4 O=C1NCCC1O MCULE-9662824811 [0,1,0,0,1,0|1,0,0]=3 2693 B7R1.4 O=C1NCC[C@@H]1O MCULE-3212474164 [0,1,0,0,1,0|1,0,0]=3 2694 B7R1.4 O=C1NCC[C@@H]1O MCULE-7816291255 [0,1,0,0,1,0|1,0,0]=3 2695 B7R1.4 O=C1NCC[C@H]1O MCULE-1281835510 [0,1,0,0,1,0|1,0,0]=3 2696 B7R1.4 O=C1NCC[C@H]1O MCULE-6809356348 [0,1,0,0,1,0|1,0,0]=3 2697 B7R1.4 O=C1OCC=C1Br MCULE-9287853531 [0,1,0,0,1,0|1,0,0]=3 2698 B7R1.4 O=C1OCCC1Br MCULE-8316114331 [0,1,0,0,1,0|1,0,0]=3 2699 B7R1.4 O=C1OCCC1O MCULE-2144002601 [0,1,0,0,1,0|1,0,0]=3 2700 B7R1.4 O=C1OCCC1S MCULE-2130434062 [0,1,0,0,1,0|1,0,0]=3 2701 B7R1.4 O=C1OCC[C@@H]1O MCULE-7764011790 [0,1,0,0,1,0|1,0,0]=3 2702 B7R1.4 O=C1OCC[C@@H]1O MCULE-9001729998 [0,1,0,0,1,0|1,0,0]=3 2703 B7R1.4 O=C1OCC[C@H]1O MCULE-6949645282 [0,1,0,0,1,0|1,0,0]=3 2704 B7R1.4 O=C1OCC[C@H]1O MCULE-7110242636 [0,1,0,0,1,0|1,0,0]=3 2705 B7R1.4 OC1CCC=C1Br MCULE-2577502971 [0,1,0,0,1,0|1,0,0]=3 2706 B7R1.4 [NH3+][C@H]1CCOC1=O MCULE-8903471982 [0,1,0,0,1,0|1,0,0]=3 2707 B7R1.14 CC1(C=CCC1)C MCULE-9154912302 [0,1,0,0,1,0|1,0,1]=4 2708 B7R1.14 N=S1(=O)CCCC1 MCULE-6922708158 [0,1,0,0,1,0|1,0,1]=4 2709 B7R1.14 O=P1(C=CCC1)Cl MCULE-4153870806 [0,1,0,0,1,0|1,0,0]=3 2710 B7R1.14 O=P1(CCCC1)Cl MCULE-9877294162 [0,1,0,0,1,0|1,0,1]=4 2711 B7R1.14 O=S1(=O)C=CCC1 MCULE-7689521769 [0,1,0,0,1,0|1,0,0]=3 2712 B7R1.14 O=S1(=O)C=CCN1 MCULE-1393327309 [0,1,0,0,1,0|2,0,0]=4 2713 B7R1.14 O=S1(=O)C=CCO1 MCULE-5410343136 [0,1,0,0,1,0|2,0,0]=4 2714 B7R1.14 O=S1(=O)CCC=N1 MCULE-3928927688 [0,1,0,0,1,0|2,0,0]=4 2715 B7R1.14 O=S1(=O)CCCC1 MCULE-3506686856 [0,1,0,0,1,0|1,0,1]=4 2716 B7R1.14 O=S1(=O)CCCN1 MCULE-8201546192 [0,1,0,0,1,0|2,0,0]=4 2717 B7R1.14 O=S1(=O)CCCO1 MCULE-4897687828 [0,1,0,0,1,0|2,0,0]=4 2718 B9R1.5 CC1CCCCCC1=O MCULE-3737709008 [0,1,0,0,0,1|0,0,2]=4 2719 B9R1.5 CC1CCCCNC1=O MCULE-6519247850 [0,1,0,0,0,1|0,0,2]=4 2720 B9R1.5 CC1CCNCCC1=O MCULE-4416410353 [0,1,0,0,0,1|0,0,2]=4 2721 B9R1.5 CC1CCNCCC1=O MCULE-7780011332 [0,1,0,0,0,1|0,0,2]=4 2722 B9R1.5 CC1CNCCCC1=O MCULE-2991075150 [0,1,0,0,0,1|0,0,2]=4 2723 B9R1.5 CC1CNCCCC1=O MCULE-6909508049 [0,1,0,0,0,1|0,0,2]=4 2724 B9R1.5 CC1CNCCNC1=O MCULE-2843888618 [0,1,0,0,0,1|1,0,1]=4 2725 B9R1.5 CC1CNCCNC1=O MCULE-9735119039 [0,1,0,0,0,1|1,0,1]=4 2726 B9R1.5 CC1NCCCNC1=O MCULE-3428365237 [0,1,0,0,0,1|1,0,1]=4 2727 B9R1.5 CC1NCCCNC1=O MCULE-7033727889 [0,1,0,0,0,1|1,0,1]=4 2728 B9R1.5 CC1OCCCNC1=O MCULE-1643502257 [0,1,0,0,0,1|1,0,1]=4 2729 B9R1.5 CN1CCCCCC1=O MCULE-7241062208 [0,1,0,0,0,1|0,0,2]=4 2730 B9R1.5 CN1CCCNCC1=O MCULE-4819094676 [0,1,0,0,0,1|1,0,1]=4 2731 B9R1.5 CN1CCCNCC1=O MCULE-6447746902 [0,1,0,0,0,1|1,0,1]=4 2732 B9R1.5 CN1CCNCCC1=O MCULE-1207431519 [0,1,0,0,0,1|1,0,1]=4 2733 B9R1.5 CN1CCNCCC1=O MCULE-1443179415 [0,1,0,0,0,1|1,0,1]=4 2734 B9R1.5 CN1CCNCCC1=O MCULE-9661921457 [0,1,0,0,0,1|1,0,1]=4 2735 B9R1.5 C[C@@H]1NCCCNC1=O MCULE-1934186049 [0,1,0,0,0,1|1,0,1]=4 2736 B9R1.5 C[C@@H]1NCCCNC1=O MCULE-5236470932 [0,1,0,0,0,1|1,0,1]=4 2737 B9R1.5 C[C@H]1NCCCNC1=O MCULE-1257602323 [0,1,0,0,0,1|1,0,1]=4 2738 B9R1.5 C[C@H]1NCCCNC1=O MCULE-9576161221 [0,1,0,0,0,1|1,0,1]=4 2739 B9R1.5 NC1CCCCCC1=O MCULE-1905655125 [0,1,0,0,0,1|0,0,2]=4 2740 B9R1.5 NC1CCCCCC1=O MCULE-7826089166 [0,1,0,0,0,1|0,0,2]=4 2741 B9R1.5 NC1CCCCNC1=O MCULE-1440525393 [0,1,0,0,0,1|0,0,2]=4 2742 B9R1.5 NC1CCCCNC1=O MCULE-9185446308 [0,1,0,0,0,1|0,0,2]=4 2743 B9R1.5 NC1CCCCNC1=O MCULE-9575519565 [0,1,0,0,0,1|0,0,2]=4 2744 B9R1.5 NC1CCCCNC1=O MCULE-9618135909 [0,1,0,0,0,1|0,0,2]=4 2745 B9R1.5 NC1CSCCNC1=O MCULE-7770173405 [0,1,0,0,0,1|1,0,1]=4 2746 B9R1.5 NC1CSCCNC1=O MCULE-9983094521 [0,1,0,0,0,1|1,0,1]=4 2747 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-5153147263 [0,1,0,0,0,1|0,0,2]=4 2748 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-7391081425 [0,1,0,0,0,1|0,0,2]=4 2749 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-7745749225 [0,1,0,0,0,1|0,0,2]=4 2750 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-8592559653 [0,1,0,0,0,1|0,0,2]=4 2751 B9R1.5 N[C@@H]1COCCNC1=O MCULE-1477215870 [0,1,0,0,0,1|1,0,1]=4 2752 B9R1.5 N[C@@H]1COCCNC1=O MCULE-2338970221 [0,1,0,0,0,1|1,0,1]=4 2753 B9R1.5 N[C@@H]1CSCCNC1=O MCULE-1397409442 [0,1,0,0,0,1|1,0,1]=4 2754 B9R1.5 N[C@@H]1CSCCNC1=O MCULE-7600788919 [0,1,0,0,0,1|1,0,1]=4 2755 B9R1.5 N[C@H]1CCCCNC1=O MCULE-1339098987 [0,1,0,0,0,1|0,0,2]=4 2756 B9R1.5 N[C@H]1CCCCNC1=O MCULE-1817473261 [0,1,0,0,0,1|0,0,2]=4 2757 B9R1.5 N[C@H]1CCCCNC1=O MCULE-2707429520 [0,1,0,0,0,1|0,0,2]=4 2758 B9R1.5 N[C@H]1CCCCNC1=O MCULE-9750792164 [0,1,0,0,0,1|0,0,2]=4 2759 B9R1.5 N[C@H]1COCCNC1=O MCULE-2013857076 [0,1,0,0,0,1|1,0,1]=4 2760 B9R1.5 N[C@H]1COCCNC1=O MCULE-4948373035 [0,1,0,0,0,1|1,0,1]=4 2761 B9R1.5 N[C@H]1COCCNC1=O MCULE-6232646531 [0,1,0,0,0,1|1,0,1]=4 2762 B9R1.5 N[C@H]1COCCNC1=O MCULE-7847351792 [0,1,0,0,0,1|1,0,1]=4 2763 B9R1.5 N[C@H]1CSCCNC1=O MCULE-4925355772 [0,1,0,0,0,1|1,0,1]=4 2764 B9R1.5 N[C@H]1CSCCNC1=O MCULE-6049507227 [0,1,0,0,0,1|1,0,1]=4 2765 B9R1.5 N[C@H]1CSCCNC1=O MCULE-8145988653 [0,1,0,0,0,1|1,0,1]=4 2766 B9R1.5 O=C1CCCCCC1=O MCULE-5149160405 [0,1,0,0,0,1|0,0,1]=3 2767 B9R1.5 O=C1CCCCCC1Br MCULE-8987490106 [0,1,0,0,0,1|0,0,2]=4 2768 B9R1.5 O=C1CCCCCC1Cl MCULE-8475724231 [0,1,0,0,0,1|0,0,2]=4 2769 B9R1.5 O=C1CCCCCC1F MCULE-9375666074 [0,1,0,0,0,1|0,0,2]=4 2770 B9R1.5 O=C1CCCCCC1O MCULE-1763055677 [0,1,0,0,0,1|0,0,2]=4 2771 B9R1.5 O=C1CCCCCN1Br MCULE-9229859393 [0,1,0,0,0,1|0,0,2]=4 2772 B9R1.5 O=C1CCCNCC1F MCULE-2925975058 [0,1,0,0,0,1|0,0,2]=4 2773 B9R1.5 O=C1CCCNCC1F MCULE-8103284018 [0,1,0,0,0,1|0,0,2]=4 2774 B9R1.5 O=C1CCNCCC1Br MCULE-2617340721 [0,1,0,0,0,1|0,0,2]=4 2775 B9R1.5 O=C1CCNCCC1Br MCULE-7631698969 [0,1,0,0,0,1|0,0,2]=4 2776 B9R1.5 O=C1CCNCCC1F MCULE-5060609426 [0,1,0,0,0,1|0,0,2]=4 2777 B9R1.5 O=C1CCNCCC1F MCULE-9571678689 [0,1,0,0,0,1|0,0,2]=4 2778 B9R1.5 O=C1CNCCCC1F MCULE-6506742195 [0,1,0,0,0,1|0,0,2]=4 2779 B9R1.5 O=C1CNCCCC1F MCULE-9667202528 [0,1,0,0,0,1|0,0,2]=4 2780 B9R1.5 O=C1NCCCCC1Br MCULE-1879428965 [0,1,0,0,0,1|0,0,2]=4 2781 B9R1.48 CC1=CC(=NCCN1)C MCULE-2717923585 [0,1,0,0,0,1|2,0,0]=4 2782 B9R1.48 CC1=CC(=NCCN1)C MCULE-9879421891 [0,1,0,0,0,1|2,0,0]=4 2783 B9R1.48 CC1=CC(=O)CCCC1 MCULE-5466118884 [0,1,0,0,0,1|0,0,0]=2 2784 B9R1.48 CC1CC(=O)NCCN1 MCULE-4537177994 [0,1,0,0,0,1|1,0,1]=4 2785 B9R1.48 CC1CC(=O)NCCS1 MCULE-3715670462 [0,1,0,0,0,1|1,0,1]=4 2786 B9R1.48 CC1CCCCC(=O)C1 MCULE-5791948972 [0,1,0,0,0,1|0,0,2]=4 2787 B9R1.48 CC1CCCCC(=O)N1 MCULE-8985894348 [0,1,0,0,0,1|0,0,2]=4 2788 B9R1.48 CC1CNCCC(=O)N1 MCULE-3663408616 [0,1,0,0,0,1|1,0,1]=4 2789 B9R1.48 CN1CCCNC(=O)C1 MCULE-9846049599 [0,1,0,0,0,1|1,0,1]=4 2790 B9R1.48 C[C@H]1CC(=O)NCCN1 MCULE-6214285788 [0,1,0,0,0,1|1,0,1]=4 2791 B9R1.48 NC1CCCNC(=O)C1 MCULE-3170887073 [0,1,0,0,0,1|0,0,2]=4 2792 B9R1.48 O=C1CC(CCCN1)O MCULE-6648954515 [0,1,0,0,0,1|0,0,2]=4 2793 B9R1.48 O=C1CCCCC(=O)C1 MCULE-7105668998 [0,1,0,0,0,1|0,0,1]=3 2794 B9R1.48 O=C1CCCCC(=O)N1 MCULE-4575266335 [0,1,0,0,0,1|0,0,1]=3 2795 B9R1.48 O=C1CCCCC(=O)O1 MCULE-7893102377 [0,1,0,0,0,1|0,0,1]=3 2796 B9R1.48 O=C1CCCCC(=S)N1 MCULE-9950295037 [0,1,0,0,0,1|0,0,1]=3 2797 B9R1.48 O=C1CCCCC(N1)O MCULE-6756895418 [0,1,0,0,0,1|0,0,2]=4 2798 B9R1.48 O=C1CCCNC(=O)C1 MCULE-3387303399 [0,1,0,0,0,1|0,0,1]=3 2799 B9R1.49 CC1CCCC(=O)CC1 MCULE-8026581790 [0,1,0,0,0,1|0,0,2]=4 2800 B9R1.49 CC1CCNC(=O)CC1 MCULE-4158970437 [0,1,0,0,0,1|0,0,2]=4 2801 B9R1.49 CC1CNC(=O)CCN1 MCULE-4770101901 [0,1,0,0,0,1|1,0,1]=4 2802 B9R1.49 CC1CNC(=O)CCN1 MCULE-5299288950 [0,1,0,0,0,1|1,0,1]=4 2803 B9R1.49 CN1CCCC(=O)CC1 MCULE-1607887623 [0,1,0,0,0,1|0,0,2]=4 2804 B9R1.49 CN1CCCC(=O)CC1 MCULE-9380092932 [0,1,0,0,0,1|0,0,2]=4 2805 B9R1.49 CN1CCNC(=O)CC1 MCULE-4386852783 [0,1,0,0,0,1|1,0,1]=4 2806 B9R1.49 CN1CCNC(=O)CC1 MCULE-7599377981 [0,1,0,0,0,1|1,0,1]=4 2807 B9R1.49 NC1CCCC(=O)NC1 MCULE-1344459585 [0,1,0,0,0,1|0,0,2]=4 2808 B9R1.49 NC1CCCC(=O)NC1 MCULE-1546951296 [0,1,0,0,0,1|0,0,2]=4 2809 B9R1.49 NC1CCNC(=O)CC1 MCULE-5608507579 [0,1,0,0,0,1|0,0,2]=4 2810 B9R1.49 NC1CCNC(=O)CC1 MCULE-7880148448 [0,1,0,0,0,1|0,0,2]=4 2811 B9R1.49 O=C1CCC(=O)COC1 MCULE-3449745230 [0,1,0,0,0,1|1,0,1]=4 2812 B9R1.49 O=C1CCCC(=O)NC1 MCULE-4912384035 [0,1,0,0,0,1|0,0,1]=3 2813 B9R1.49 O=C1CCCC(CC1)F MCULE-3071750497 [0,1,0,0,0,1|0,0,2]=4 2814 B9R1.49 O=C1CCCC(CN1)O MCULE-2883103344 [0,1,0,0,0,1|0,0,2]=4 2815 B9R1.49 O=C1CCCS(=O)CC1 MCULE-7517634998 [0,1,0,0,0,1|0,0,2]=4 2816 B9R1.49 O=C1CCNC(=O)CC1 MCULE-7393024422 [0,1,0,0,0,1|1,0,1]=4 2817 B9R1.89 O=CC1=CC=CC=CC1 MCULE-5588639359 [0,1,0,0,0,1|0,0,2]=4 2818 B9R1.89 O=CC1=CCCCCC1 MCULE-8414068028 [0,1,0,0,0,1|0,0,1]=3 2819 B9R1.1 C#CC1CCC(=O)CC1 MCULE-3898335754 [0,2,0,0,0,0|0,0,2]=4 2820 B9R1.1 CC1=CCC(CC1)C=O MCULE-5534930691 [0,2,0,0,0,0|1,0,1]=4 2821 B9R1.1 CC1=CCC(CC1)CO MCULE-6377131123 [0,2,0,0,0,0|1,0,1]=4 2822 B9R1.1 CCC1CCC(=O)CC1 MCULE-4419010963 [0,2,0,0,0,0|0,0,2]=4 2823 B9R1.1 CNC1CCC(=O)CC1 MCULE-1156128032 [0,2,0,0,0,0|0,0,2]=4 2824 B9R1.1 CNC1CCC(=O)CC1 MCULE-3156763747 [0,2,0,0,0,0|0,0,2]=4 2825 B9R1.1 COC1=CCC(CC1)O MCULE-8647551052 [0,2,0,0,0,0|0,0,2]=4 2826 B9R1.1 COC1CCC(=O)CC1 MCULE-7787037916 [0,2,0,0,0,0|0,0,2]=4 2827 B9R1.1 N#CC1CCC(=O)CC1 MCULE-5959451916 [0,2,0,0,0,0|0,0,2]=4 2828 B9R1.1 NCC1CCC(=O)CC1 MCULE-6777974410 [0,2,0,0,0,0|0,0,2]=4 2829 B9R1.1 NCC1CCC(=O)CC1 MCULE-8440793392 [0,2,0,0,0,0|0,0,2]=4 2830 B9R1.1 NCC1CCC(=O)NC1 MCULE-5893065665 [0,2,0,0,0,0|1,0,1]=4 2831 B9R1.1 NCC1CCC(=O)NC1 MCULE-9881642861 [0,2,0,0,0,0|1,0,1]=4 2832 B9R1.1 NC[C@H]1CCC(=O)NC1 MCULE-9489755430 [0,2,0,0,0,0|1,0,1]=4 2833 B9R1.1 O=C1CCC(CC1)CBr MCULE-8223349080 [0,2,0,0,0,0|0,0,2]=4 2834 B9R1.1 O=C1CCC(CC1)CF MCULE-2139942920 [0,2,0,0,0,0|0,0,2]=4 2835 B9R1.1 O=C1CCC(CC1)CO MCULE-4178685012 [0,2,0,0,0,0|0,0,2]=4 2836 B9R1.1 O=C1CCC(CN1)CBr MCULE-4686085649 [0,2,0,0,0,0|1,0,1]=4 2837 B9R1.1 O=C1CCC(CN1)CO MCULE-5019571847 [0,2,0,0,0,0|1,0,1]=4 2838 B9R1.1 O=CC1CCC(=O)CC1 MCULE-3607149578 [0,2,0,0,0,0|0,0,2]=4 2839 B9R1.2 C#CC1=CC(=O)CCC1 MCULE-4235041240 [0,2,0,0,0,0|0,0,0]=2 2840 B9R1.2 C#CC1CCCC(=O)C1 MCULE-9347784864 [0,2,0,0,0,0|0,0,2]=4 2841 B9R1.2 C=CC1CCCC(=O)C1 MCULE-4962666890 [0,2,0,0,0,0|0,0,2]=4 2842 B9R1.2 CC1C=C(CCC1)C=O MCULE-8149754044 [0,2,0,0,0,0|0,0,1]=3 2843 B9R1.2 CCC1=CC(=O)CCC1 MCULE-3934640256 [0,2,0,0,0,0|0,0,0]=2 2844 B9R1.2 CCC1CCCC(=O)C1 MCULE-2309757845 [0,2,0,0,0,0|0,0,2]=4 2845 B9R1.2 CCC1CCCC(=O)N1 MCULE-7034650517 [0,2,0,0,0,0|1,0,1]=4 2846 B9R1.2 CCC1CCNC(=O)C1 MCULE-7827721769 [0,2,0,0,0,0|1,0,1]=4 2847 B9R1.2 CCN1CCCC(=O)C1 MCULE-1438900169 [0,2,0,0,0,0|1,0,1]=4 2848 B9R1.2 CCN1CCCC(=O)C1 MCULE-2924579479 [0,2,0,0,0,0|1,0,1]=4 2849 B9R1.2 CC[C@@H]1CCCC(=O)C1 MCULE-3781767777 [0,2,0,0,0,0|0,0,2]=4 2850 B9R1.2 CC[C@H]1CCCC(=O)C1 MCULE-5055612080 [0,2,0,0,0,0|0,0,2]=4 2851 B9R1.2 COC1=CC(=O)CCC1 MCULE-7315684808 [0,2,0,0,0,0|0,0,0]=2 2852 B9R1.2 COC1CCCC(=O)C1 MCULE-4121364026 [0,2,0,0,0,0|0,0,2]=4 2853 B9R1.2 COC1CCCC(=O)N1 MCULE-3771491986 [0,2,0,0,0,0|1,0,1]=4 2854 B9R1.2 CSC1=NC(=O)CCN1 MCULE-9697046626 [0,2,0,0,0,0|2,0,0]=4 2855 B9R1.2 CSC1CCCC(=O)C1 MCULE-3076571291 [0,2,0,0,0,0|0,0,2]=4 2856 B9R1.2 N#CC1=CCCC(C1)O MCULE-4655795134 [0,2,0,0,0,0|1,0,1]=4 2857 B9R1.2 N#CC1CCCC(=O)C1 MCULE-7187855455 [0,2,0,0,0,0|0,0,2]=4 2858 B9R1.2 N#CC1CCNC(=O)C1 MCULE-8868530643 [0,2,0,0,0,0|1,0,1]=4 2859 B9R1.2 NC1C=CCC(C1)CO MCULE-6703017968 [0,2,0,0,0,0|1,0,1]=4 2860 B9R1.2 NCC1CCCC(=O)N1 MCULE-2515108436 [0,2,0,0,0,0|1,0,1]=4 2861 B9R1.2 NCC1CCCC(=O)N1 MCULE-2893640240 [0,2,0,0,0,0|1,0,1]=4 2862 B9R1.2 NCC1CCCC(=O)N1 MCULE-4568961930 [0,2,0,0,0,0|1,0,1]=4 2863 B9R1.2 NCC1CCNC(=O)C1 MCULE-8340928139 [0,2,0,0,0,0|1,0,1]=4 2864 B9R1.2 NCC1CCNC(=O)C1 MCULE-9503049309 [0,2,0,0,0,0|1,0,1]=4 2865 B9R1.2 NC[C@H]1CCNC(=O)C1 MCULE-6439919372 [0,2,0,0,0,0|1,0,1]=4 2866 B9R1.2 NC[C@H]1CCNC(=O)C1 MCULE-8074777058 [0,2,0,0,0,0|1,0,1]=4 2867 B9R1.2 N[C@@H]1C=CC[C@@H](C1)CO MCULE-3596102991 [0,2,0,0,0,0|1,0,1]=4 2868 B9R1.2 N[C@@H]1C=CC[C@H](C1)CO MCULE-3339595306 [0,2,0,0,0,0|1,0,1]=4 2869 B9R1.2 N[C@H]1C=CC[C@@H](C1)CO MCULE-1352423223 [0,2,0,0,0,0|1,0,1]=4 2870 B9R1.2 N[C@H]1C=CC[C@H](C1)CO MCULE-4606335241 [0,2,0,0,0,0|1,0,1]=4 2871 B9R1.2 O=C1C=C(CCO1)CO MCULE-1101464960 [0,2,0,0,0,0|1,0,0]=3 2872 B9R1.2 O=C1CC(=NO)CCN1 MCULE-6345454324 [0,2,0,0,0,0|1,0,1]=4 2873 B9R1.2 O=C1CC(CCN1)CBr MCULE-5514747029 [0,2,0,0,0,0|1,0,1]=4 2874 B9R1.2 O=C1CC(CCN1)CO MCULE-9526076179 [0,2,0,0,0,0|1,0,1]=4 2875 B9R1.2 O=C1CCCC(C1)CF MCULE-4859859394 [0,2,0,0,0,0|0,0,2]=4 2876 B9R1.2 O=C1CCCC(C1)CO MCULE-5732276352 [0,2,0,0,0,0|0,0,2]=4 2877 B9R1.2 O=C1CCCC(N1)CO MCULE-6546170250 [0,2,0,0,0,0|1,0,1]=4 2878 B9R1.2 O=C1CCC[C@@H](N1)CO MCULE-6845836782 [0,2,0,0,0,0|1,0,1]=4 2879 B9R1.2 O=C1CCC[C@H](C1)CO MCULE-7659844168 [0,2,0,0,0,0|0,0,2]=4 2880 B9R1.2 O=C1CCC[C@H](N1)CO MCULE-2745722091 [0,2,0,0,0,0|1,0,1]=4 2881 B9R1.2 O=C1CCC[C@H](N1)CO MCULE-3358051383 [0,2,0,0,0,0|1,0,1]=4 2882 B9R1.2 O=C1C[C@H](CCN1)CO MCULE-5682710079 [0,2,0,0,0,0|1,0,1]=4 2883 B9R1.2 OC[C@H]1CC=C[C@H](C1)O MCULE-2033409261 [0,2,0,0,0,0|0,0,2]=4 2884 B9R1.6 CC(=O)C1=CCCCC1 MCULE-9958324589 [0,2,0,0,0,0|0,0,1]=3 2885 B9R1.6 CC(=O)C1=CSCCN1 MCULE-8962394930 [0,2,0,0,0,0|2,0,0]=4 2886 B9R1.6 CC(=O)C1=NCCCC1 MCULE-8103583007 [0,2,0,0,0,0|1,0,1]=4 2887 B9R1.6 CC(=O)C1=NCCCC1 MCULE-8275418154 [0,2,0,0,0,0|1,0,1]=4 2888 B9R1.6 CC(C)C1=CC=CCC1 MCULE-7070052938 [0,2,0,0,0,0|1,0,1]=4 2889 B9R1.6 CC(C)C1=CCCC=C1 MCULE-2122379675 [0,2,0,0,0,0|1,0,1]=4 2890 B9R1.6 CC(N)C1=CCCCC1 MCULE-5707046388 [0,2,0,0,0,0|1,0,1]=4 2891 B9R1.6 CC(N)C1=CCCCC1 MCULE-8715470831 [0,2,0,0,0,0|1,0,1]=4 2892 B9R1.6 NC(=O)C1=CNCCC1 MCULE-5396085408 [0,2,0,0,0,0|1,0,0]=3 2893 B9R1.6 NC(=O)C1=COCCC1 MCULE-1179770781 [0,2,0,0,0,0|1,0,0]=3 2894 B9R1.6 O=C(Cl)C1=CCCCC1 MCULE-8228686007 [0,2,0,0,0,0|0,0,1]=3 2895 B9R1.6 O=C(Cl)C1=CCOCC1 MCULE-9144118947 [0,2,0,0,0,0|1,0,1]=4 2896 B9R1.6 O=C(Cl)C1=COCCO1 MCULE-9393230121 [0,2,0,0,0,0|2,0,0]=4 2897 B9R1.6 O=C(O)C1=CCCCC1 MCULE-1482472372 [0,2,0,0,0,0|0,0,1]=3 2898 B9R1.6 O=C(O)C1=CCCCO1 MCULE-8158964792 [0,2,0,0,0,0|1,0,1]=4 2899 B9R1.6 O=C(O)C1=CCCNC1 MCULE-7878143035 [0,2,0,0,0,0|1,0,1]=4 2900 B9R1.6 O=C(O)C1=CCCNC1 MCULE-9382105537 [0,2,0,0,0,0|1,0,1]=4 2901 B9R1.6 O=C(O)C1=CCCOC1 MCULE-4597846034 [0,2,0,0,0,0|1,0,1]=4 2902 B9R1.6 O=C(O)C1=CCCSC1 MCULE-6991730217 [0,2,0,0,0,0|1,0,1]=4 2903 B9R1.6 O=C(O)C1=CCNCC1 MCULE-7813592729 [0,2,0,0,0,0|1,0,1]=4 2904 B9R1.6 O=C(O)C1=CCNCC1 MCULE-9446043448 [0,2,0,0,0,0|1,0,1]=4 2905 B9R1.6 O=C(O)C1=CCOCC1 MCULE-8602474600 [0,2,0,0,0,0|1,0,1]=4 2906 B9R1.6 O=C(O)C1=COCCC1 MCULE-4203786677 [0,2,0,0,0,0|1,0,0]=3 2907 B9R1.6 O=C(O)C1=COCCO1 MCULE-9406944236 [0,2,0,0,0,0|2,0,0]=4 2908 B9R1.6 O=C(O)C1=NNCCC1 MCULE-7500831474 [0,2,0,0,0,0|2,0,0]=4 2909 B9R1.6 O=C(O)C1C=CCCC1 MCULE-7827178223 [0,2,0,0,0,0|0,0,1]=3 2910 B9R1.6 O=N(=O)C1=CCCCC1 MCULE-3902997389 [0,2,0,0,0,0|0,0,1]=3 2911 B9R1.6 O=N(=O)C1=NNCC=C1 MCULE-5578823908 [0,2,0,0,0,0|2,0,0]=4 2912 B9R1.6 OB(O)C1=CCCCC1 MCULE-8745726253 [0,2,0,0,0,0|0,0,2]=4 2913 B9R1.8 BrCCC1=CCCCC1 MCULE-3901720492 [0,2,0,0,0,0|1,0,1]=4 2914 B9R1.8 CCCC1=CC=CCC1 MCULE-2133268475 [0,2,0,0,0,0|1,0,1]=4 2915 B9R1.8 N#CCC1=CCCCC1 MCULE-6194015509 [0,2,0,0,0,0|1,0,1]=4 2916 B9R1.8 N#N=NC1C=CCCC1 MCULE-4942679848 [0,2,0,0,0,0|1,0,1]=4 2917 B9R1.8 NCCC1=CCCCC1 MCULE-6418416745 [0,2,0,0,0,0|1,0,1]=4 2918 B9R1.8 NCCC1C=CCCC1 MCULE-9825958353 [0,2,0,0,0,0|1,0,1]=4 2919 B9R1.8 O=CNC1=CCCCC1 MCULE-2003809797 [0,2,0,0,0,0|0,0,1]=3 2920 B9R1.8 OCCC1=CCCCC1 MCULE-5341389843 [0,2,0,0,0,0|0,0,2]=4 2921 B9R1.8 OCCC1C=CCCC1 MCULE-4423636846 [0,2,0,0,0,0|0,0,2]=4 2922 B9R1.15 CC1=C(CCCC1)CO MCULE-8750813787 [0,2,0,0,0,0|0,0,2]=4 2923 B9R1.15 CCC1CCCCC1=O MCULE-2493543558 [0,2,0,0,0,0|0,0,2]=4 2924 B9R1.15 CCC1CCCNC1=O MCULE-9899311713 [0,2,0,0,0,0|1,0,1]=4 2925 B9R1.15 CCC1CCCOC1=O MCULE-7711682964 [0,2,0,0,0,0|1,0,1]=4 2926 B9R1.15 CCC1CCOCC1=O MCULE-6091403730 [0,2,0,0,0,0|1,0,1]=4 2927 B9R1.15 CCC1NCCCC1=O MCULE-2124880483 [0,2,0,0,0,0|1,0,1]=4 2928 B9R1.15 CCC1NCCCC1=O MCULE-9326512534 [0,2,0,0,0,0|1,0,1]=4 2929 B9R1.15 CNC1CCCCC1=O MCULE-4213094446 [0,2,0,0,0,0|0,0,2]=4 2930 B9R1.15 CNC1CCCCC1=O MCULE-6828302325 [0,2,0,0,0,0|0,0,2]=4 2931 B9R1.15 CNC1CCCNC1=O MCULE-5728861814 [0,2,0,0,0,0|1,0,1]=4 2932 B9R1.15 CNC1CCCNC1=O MCULE-6142186918 [0,2,0,0,0,0|1,0,1]=4 2933 B9R1.15 COC1=CCCCC1=O MCULE-1582667045 [0,2,0,0,0,0|0,0,0]=2 2934 B9R1.15 COC1CCCCC1=O MCULE-7022503614 [0,2,0,0,0,0|0,0,2]=4 2935 B9R1.15 COC1CCCNC1=O MCULE-7453342727 [0,2,0,0,0,0|1,0,1]=4 2936 B9R1.15 COC1OCCCC1=O MCULE-5908913683 [0,2,0,0,0,0|1,0,1]=4 2937 B9R1.15 CSC1=NCCC=C1C MCULE-1169609713 [0,2,0,0,0,0|1,1,0]=4 2938 B9R1.15 CSC1CCCCC1=O MCULE-4042708421 [0,2,0,0,0,0|0,0,2]=4 2939 B9R1.15 N#CC1=C(CCCC1)Cl MCULE-4786135988 [0,2,0,0,0,0|1,0,1]=4 2940 B9R1.15 N#CC1=C(CCCC1)N MCULE-3650440199 [0,2,0,0,0,0|1,0,1]=4 2941 B9R1.15 N#CC1=C(CCCC1)N MCULE-9670194557 [0,2,0,0,0,0|1,0,1]=4 2942 B9R1.15 N#CC1=C(CCCC1)O MCULE-6570663298 [0,2,0,0,0,0|0,0,2]=4 2943 B9R1.15 N#CC1CCCCC1=O MCULE-5733904988 [0,2,0,0,0,0|0,0,2]=4 2944 B9R1.15 N#CC1CCNCC1=O MCULE-8079528543 [0,2,0,0,0,0|1,0,1]=4 2945 B9R1.15 N#CC1CCNCC1=O MCULE-9205359249 [0,2,0,0,0,0|1,0,1]=4 2946 B9R1.15 NCC1CCCNC1=O MCULE-3811327759 [0,2,0,0,0,0|1,0,1]=4 2947 B9R1.15 NCC1CCCNC1=O MCULE-7406524376 [0,2,0,0,0,0|1,0,1]=4 2948 B9R1.15 O=C1CCCCC1CO MCULE-1345678838 [0,2,0,0,0,0|0,0,2]=4 2949 B9R1.15 O=C1CCCCN1CCl MCULE-5595554999 [0,2,0,0,0,0|1,0,1]=4 2950 B9R1.15 O=C1NCCCC1CO MCULE-3810407789 [0,2,0,0,0,0|1,0,1]=4 2951 B9R1.15 O=CC1=C(CCCC1)Br MCULE-6173586592 [0,2,0,0,0,0|0,0,1]=3 2952 B9R1.15 O=CC1=C(CCCC1)Cl MCULE-7995365701 [0,2,0,0,0,0|0,0,1]=3 2953 B9R1.15 O=CC1CCCCC1=O MCULE-3775698507 [0,2,0,0,0,0|0,0,2]=4 2954 B9R1.15 OCC1=C(CCCC1)Br MCULE-6936960603 [0,2,0,0,0,0|0,0,2]=4 2955 B9R1.118 NCC1(C=CCCC1)O MCULE-1781105765 [0,2,0,0,0,0|0,0,2]=4 2956 B9R1.10 CC1(C=CC(=O)CC1)C MCULE-5124770449 [0,2,0,0,0,0|0,0,0]=2 2957 B9R1.10 CC1(C=CC(CC1)N)C MCULE-5145393290 [0,2,0,0,0,0|1,0,1]=4 2958 B9R1.10 CC1(CC=C(CC1)Br)C MCULE-3834862289 [0,2,0,0,0,0|1,0,1]=4 2959 B9R1.10 CC1(CCC(=O)CC1)C MCULE-3284069816 [0,2,0,0,0,0|0,0,2]=4 2960 B9R1.10 CC1(CCC(=O)CC1)F MCULE-9421002041 [0,2,0,0,0,0|0,0,2]=4 2961 B9R1.10 CC1(CCC(=O)CC1)N MCULE-5485763382 [0,2,0,0,0,0|0,0,2]=4 2962 B9R1.10 CC1(CCC(=O)CC1)N MCULE-5566670089 [0,2,0,0,0,0|0,0,2]=4 2963 B9R1.10 CC1(CCC(=O)CC1)O MCULE-2229659445 [0,2,0,0,0,0|0,0,2]=4 2964 B9R1.10 CC1(CCC(=O)NC1)C MCULE-9831115400 [0,2,0,0,0,0|1,0,1]=4 2965 B9R1.10 CC1(CCC(=O)NC1)O MCULE-7575084639 [0,2,0,0,0,0|1,0,1]=4 2966 B9R1.10 CC1=CCC(CC1)(C)N MCULE-5027299304 [0,2,0,0,0,0|1,0,1]=4 2967 B9R1.10 CC1=CCC(CC1)(C)N MCULE-6100124607 [0,2,0,0,0,0|1,0,1]=4 2968 B9R1.10 FC1(CC=C(CC1)Br)F MCULE-8778497410 [0,2,0,0,0,0|1,0,1]=4 2969 B9R1.10 O=C1C=CC(CC1)(F)F MCULE-2670379055 [0,2,0,0,0,0|0,0,0]=2 2970 B9R1.10 O=C1C=CS(=O)(=O)CC1 MCULE-7430599828 [0,2,0,0,0,0|1,0,0]=3 2971 B9R1.10 O=C1CCC(CC1)(F)F MCULE-2540374051 [0,2,0,0,0,0|0,0,2]=4 2972 B9R1.10 O=C1CCC(CN1)(F)F MCULE-5822819851 [0,2,0,0,0,0|1,0,1]=4 2973 B9R1.69 C=C1CCC(=O)NC1=O MCULE-9917847735 [0,2,0,0,0,0|1,0,1]=4 2974 B9R1.69 CC1CC(=O)CCC1O MCULE-7552412875 [0,2,0,0,0,0|0,0,2]=4 2975 B9R1.69 CC1CC(CCC1=O)O MCULE-4154713632 [0,2,0,0,0,0|0,0,2]=4 2976 B9R1.69 CC1CCC(=O)C(C1)C MCULE-3520631102 [0,2,0,0,0,0|0,0,2]=4 2977 B9R1.69 CC1CCC(=O)C=C1O MCULE-7850328397 [0,2,0,0,0,0|0,0,0]=2 2978 B9R1.69 CC1CCC(=O)CC1=O MCULE-6498795822 [0,2,0,0,0,0|0,0,1]=3 2979 B9R1.69 CC1CCC(=O)CC1C MCULE-5304188182 [0,2,0,0,0,0|0,0,2]=4 2980 B9R1.69 CC1CCC(=O)N(C1)C MCULE-1335993518 [0,2,0,0,0,0|1,0,1]=4 2981 B9R1.69 CC1CCC(=O)NC1=O MCULE-4999120435 [0,2,0,0,0,0|1,0,0]=3 2982 B9R1.69 CC1CCC(C(=O)C1)C MCULE-1189470004 [0,2,0,0,0,0|0,0,2]=4 2983 B9R1.69 CC1CCC(C(=O)N1)N MCULE-4681937866 [0,2,0,0,0,0|1,0,1]=4 2984 B9R1.69 CC1CNC(=NC1=O)O MCULE-1498737305 [0,2,0,0,0,0|2,0,0]=4 2985 B9R1.69 CC1CNC(=O)CC1=O MCULE-2909713030 [0,2,0,0,0,0|1,0,1]=4 2986 B9R1.69 CC1NC(=O)CCC1N MCULE-2884344617 [0,2,0,0,0,0|1,0,1]=4 2987 B9R1.69 CC1NC(=O)CCC1O MCULE-3879531993 [0,2,0,0,0,0|1,0,1]=4 2988 B9R1.69 CC1SCC(=O)CC1=O MCULE-3166347796 [0,2,0,0,0,0|1,0,1]=4 2989 B9R1.69 CC1SCC(=O)OC1=O MCULE-4179176992 [0,2,0,0,0,0|2,0,0]=4 2990 B9R1.69 CN1CC(CCC1=O)N MCULE-3963982685 [0,2,0,0,0,0|1,0,1]=4 2991 B9R1.69 CN1CC(CCC1=O)N MCULE-5748915949 [0,2,0,0,0,0|1,0,1]=4 2992 B9R1.69 CN1CC(CCC1=O)N MCULE-6364341404 [0,2,0,0,0,0|1,0,1]=4 2993 B9R1.69 CN1CC(CCC1=O)O MCULE-4021195315 [0,2,0,0,0,0|1,0,1]=4 2994 B9R1.69 CN1CCC(=NC1=O)N MCULE-4517300685 [0,2,0,0,0,0|2,0,0]=4 2995 B9R1.69 CN1CCC(=O)CC1=O MCULE-7583281341 [0,2,0,0,0,0|1,0,1]=4 2996 B9R1.69 CN1CCC(=O)NC1=O MCULE-1338210074 [0,2,0,0,0,0|2,0,0]=4 2997 B9R1.69 CN1CCC(CC1=O)N MCULE-1615743106 [0,2,0,0,0,0|1,0,1]=4 2998 B9R1.69 CN1CCC(CC1=O)N MCULE-3669689846 [0,2,0,0,0,0|1,0,1]=4 2999 B9R1.69 CN1CCC(CC1=O)N MCULE-9029127990 [0,2,0,0,0,0|1,0,1]=4 3000 B9R1.69 CN1CC[C@@H](CC1=O)N MCULE-2173200677 [0,2,0,0,0,0|1,0,1]=4 3001 B9R1.69 CN1CC[C@@H](CC1=O)N MCULE-2636791104 [0,2,0,0,0,0|1,0,1]=4 3002 B9R1.69 CN1CC[C@@H](CC1=O)N MCULE-5158680305 [0,2,0,0,0,0|1,0,1]=4 3003 B9R1.69 CN1CC[C@H](CC1=O)N MCULE-1652984259 [0,2,0,0,0,0|1,0,1]=4 3004 B9R1.69 CN1C[C@@H](CCC1=O)N MCULE-5278708810 [0,2,0,0,0,0|1,0,1]=4 3005 B9R1.69 CN1C[C@H](CCC1=O)N MCULE-3815293463 [0,2,0,0,0,0|1,0,1]=4 3006 B9R1.69 CN1C[C@H](CCC1=O)N MCULE-7566756339 [0,2,0,0,0,0|1,0,1]=4 3007 B9R1.69 CN1C[C@H](CCC1=O)N MCULE-7777098063 [0,2,0,0,0,0|1,0,1]=4 3008 B9R1.69 CN1C[C@H](CCC1=O)N MCULE-8273332398 [0,2,0,0,0,0|1,0,1]=4 3009 B9R1.69 C[C@@H]1CC(=O)CC[C@@H]1O MCULE-8675773780 [0,2,0,0,0,0|0,0,2]=4 3010 B9R1.69 C[C@H]1CC(=O)CC[C@@H]1O MCULE-5873948412 [0,2,0,0,0,0|0,0,2]=4 3011 B9R1.69 NC1CCC(=O)NC1=O MCULE-4373046338 [0,2,0,0,0,0|1,0,0]=3 3012 B9R1.69 NC1CCC(=O)NC1=O MCULE-5761090335 [0,2,0,0,0,0|1,0,0]=3 3013 B9R1.69 NC1CCC(=O)NC1=O MCULE-6512527532 [0,2,0,0,0,0|1,0,0]=3 3014 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-2259559652 [0,2,0,0,0,0|1,0,0]=3 3015 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-5099911990 [0,2,0,0,0,0|1,0,0]=3 3016 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-5834100164 [0,2,0,0,0,0|1,0,0]=3 3017 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-9198243816 [0,2,0,0,0,0|1,0,0]=3 3018 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-2839925566 [0,2,0,0,0,0|1,0,0]=3 3019 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-4993857257 [0,2,0,0,0,0|1,0,0]=3 3020 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-5773933419 [0,2,0,0,0,0|1,0,0]=3 3021 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-7730306323 [0,2,0,0,0,0|1,0,0]=3 3022 B9R1.69 N[C@H]1C[C@H](CNC1=O)O MCULE-9955363059 [0,2,0,0,0,0|1,0,1]=4 3023 B9R1.69 O=C1CCC(C(=O)N1)Br MCULE-2957692520 [0,2,0,0,0,0|1,0,0]=3 3024 B9R1.69 O=C1CCC(C(=O)O1)Br MCULE-6965029544 [0,2,0,0,0,0|1,0,0]=3 3025 B9R1.69 O=C1NCC(C(=O)N1)Br MCULE-1399084699 [0,2,0,0,0,0|2,0,0]=4 3026 B9R1.69 O=C1NCC(C(=O)N1)Cl MCULE-3522626760 [0,2,0,0,0,0|2,0,0]=4 3027 B9R1.69 O=C1NCC(C(=O)N1)F MCULE-3119054190 [0,2,0,0,0,0|2,0,0]=4 3028 B9R1.69 O=C1OCC(C=C1Br)Br MCULE-3130781045 [0,2,0,0,0,0|1,0,0]=3 3029 B9R1.69 [NH3+]C1CCC(=O)NC1=O MCULE-8832573768 [0,2,0,0,0,0|1,0,0]=3 3030 B9R1.3 CC1=C(C(=O)CCC1)C MCULE-2092030294 [0,2,0,0,0,0|0,0,0]=2 3031 B9R1.3 CC1=C(C(=O)CCC1)I MCULE-1524025435 [0,2,0,0,0,0|0,0,0]=2 3032 B9R1.3 CC1=C(C(=O)CCO1)O MCULE-4821746307 [0,2,0,0,0,0|1,0,0]=3 3033 B9R1.3 CC1=C(C(CCC1)O)C MCULE-7202234917 [0,2,0,0,0,0|0,0,2]=4 3034 B9R1.3 CC1=C(CCCC1=O)O MCULE-2811033912 [0,2,0,0,0,0|0,0,0]=2 3035 B9R1.3 CC1=NC=CC(=O)C1O MCULE-8072640255 [0,2,0,0,0,0|1,0,1]=4 3036 B9R1.3 CC1C(=O)CCCC1=O MCULE-6372223277 [0,2,0,0,0,0|0,0,1]=3 3037 B9R1.3 CC1CCCC(=O)C1=O MCULE-3677088238 [0,2,0,0,0,0|0,0,1]=3 3038 B9R1.3 CC1CCCC(=O)C1C MCULE-1705022712 [0,2,0,0,0,0|0,0,2]=4 3039 B9R1.3 CC1CCCC(C1=O)C MCULE-4896844140 [0,2,0,0,0,0|0,0,2]=4 3040 B9R1.3 CC1CCNC(=O)C1N MCULE-8466322754 [0,2,0,0,0,0|1,0,1]=4 3041 B9R1.3 CC1OC=CC(=O)C1=O MCULE-7675608776 [0,2,0,0,0,0|1,0,1]=4 3042 B9R1.3 CN1C(=O)CCCC1=O MCULE-4787684091 [0,2,0,0,0,0|1,0,0]=3 3043 B9R1.3 CN1C(=O)CNCC1=O MCULE-1069132233 [0,2,0,0,0,0|2,0,0]=4 3044 B9R1.3 CN1C(=O)CNCC1=O MCULE-4060585109 [0,2,0,0,0,0|2,0,0]=4 3045 B9R1.3 CN1C(=O)CNCC1=O MCULE-8726062423 [0,2,0,0,0,0|2,0,0]=4 3046 B9R1.3 CN1CCCC(C1=O)Br MCULE-1025570589 [0,2,0,0,0,0|1,0,1]=4 3047 B9R1.3 CN1CCCC(C1=O)N MCULE-3986588144 [0,2,0,0,0,0|1,0,1]=4 3048 B9R1.3 CN1CCCC(C1=O)N MCULE-7149075004 [0,2,0,0,0,0|1,0,1]=4 3049 B9R1.3 CN1CCCC(C1=O)N MCULE-8825003509 [0,2,0,0,0,0|1,0,1]=4 3050 B9R1.3 CN1CCCC(C1=O)N MCULE-8988509393 [0,2,0,0,0,0|1,0,1]=4 3051 B9R1.3 CN1CCCC(C1=O)O MCULE-9396895370 [0,2,0,0,0,0|1,0,1]=4 3052 B9R1.3 CN1CCC[C@@H](C1=O)N MCULE-1758642850 [0,2,0,0,0,0|1,0,1]=4 3053 B9R1.3 CN1CCC[C@@H](C1=O)N MCULE-3159461429 [0,2,0,0,0,0|1,0,1]=4 3054 B9R1.3 CN1CCC[C@@H](C1=O)N MCULE-7461179322 [0,2,0,0,0,0|1,0,1]=4 3055 B9R1.3 CN1CCC[C@@H](C1=O)N MCULE-9831345261 [0,2,0,0,0,0|1,0,1]=4 3056 B9R1.3 CN1CCC[C@H](C1=O)N MCULE-1637263724 [0,2,0,0,0,0|1,0,1]=4 3057 B9R1.3 CN1CCC[C@H](C1=O)N MCULE-4764518735 [0,2,0,0,0,0|1,0,1]=4 3058 B9R1.3 CN1CCC[C@H](C1=O)N MCULE-8517113396 [0,2,0,0,0,0|1,0,1]=4 3059 B9R1.3 CN1CCC[C@H](C1=O)N MCULE-8710321967 [0,2,0,0,0,0|1,0,1]=4 3060 B9R1.3 CN1CCNC(=O)C1=O MCULE-8196761481 [0,2,0,0,0,0|2,0,0]=4 3061 B9R1.3 NC1CCCN(C1=O)O MCULE-1786572763 [0,2,0,0,0,0|1,0,1]=4 3062 B9R1.3 O=C1C(=CN=CC1Cl)Cl MCULE-3505965502 [0,2,0,0,0,0|1,0,1]=4 3063 B9R1.3 O=C1C(=CN=CC1I)I MCULE-2837458297 [0,2,0,0,0,0|1,0,1]=4 3064 B9R1.3 O=C1CCCC(=C1Br)O MCULE-8690607372 [0,2,0,0,0,0|0,0,0]=2 3065 B9R1.3 O=C1CCCC(=C1Cl)O MCULE-2266106107 [0,2,0,0,0,0|0,0,0]=2 3066 B9R1.3 O=C1CCCC(=C1F)O MCULE-5456728328 [0,2,0,0,0,0|0,0,0]=2 3067 B9R1.3 O=C1CCCC(=C1I)O MCULE-5138602231 [0,2,0,0,0,0|0,0,0]=2 3068 B9R1.3 O=C1CCCC(=O)C1Br MCULE-7816833236 [0,2,0,0,0,0|0,0,1]=3 3069 B9R1.3 O=C1CCCC(=O)C1Cl MCULE-7334645492 [0,2,0,0,0,0|0,0,1]=3 3070 B9R1.3 O=C1CCCC(=O)N1Br MCULE-4460128380 [0,2,0,0,0,0|1,0,0]=3 3071 B9R1.3 O=C1CCCC(C1=O)Br MCULE-4868069859 [0,2,0,0,0,0|0,0,1]=3 3072 B9R1.3 O=C1NCCC(C1Cl)O MCULE-3547246755 [0,2,0,0,0,0|1,0,1]=4 3073 B9R1.3 O=C1NCC[C@H]([C@@H]1Cl)O MCULE-4122559640 [0,2,0,0,0,0|1,0,1]=4 3074 B9R1.3 OC1C=CC=C(C1O)I MCULE-3645968416 [0,2,0,0,0,0|1,0,1]=4 3075 B9R1.3 O[C@H]1C=CC=C([C@H]1O)Br MCULE-1685616060 [0,2,0,0,0,0|1,0,1]=4 3076 B9R1.3 O[C@H]1C=CC=C([C@H]1O)Br MCULE-5652276563 [0,2,0,0,0,0|1,0,1]=4 3077 B9R1.3 O[C@H]1C=CC=C([C@H]1O)Br MCULE-7242611949 [0,2,0,0,0,0|1,0,1]=4 3078 B9R1.34 CC1=CC(=O)CC(=O)O1 MCULE-2238720534 [0,2,0,0,0,0|1,0,1]=4 3079 B9R1.34 CC1=CC(=O)CC(C1)C MCULE-4391727742 [0,2,0,0,0,0|0,0,0]=2 3080 B9R1.34 CC1=CC(CC(=O)C1)C MCULE-3058901389 [0,2,0,0,0,0|0,0,2]=4 3081 B9R1.34 CC1=CC(CC(=O)O1)O MCULE-2892113646 [0,2,0,0,0,0|1,0,1]=4 3082 B9R1.34 CC1CC(=CC(=O)O1)O MCULE-3566980219 [0,2,0,0,0,0|1,0,0]=3 3083 B9R1.34 CC1CC(=O)C=C(C1)N MCULE-4451452781 [0,2,0,0,0,0|0,0,0]=2 3084 B9R1.34 CC1CC(=O)CC(=O)C1 MCULE-9077952779 [0,2,0,0,0,0|0,0,1]=3 3085 B9R1.34 CC1CC(=O)CC(=O)N1 MCULE-4178844211 [0,2,0,0,0,0|1,0,1]=4 3086 B9R1.34 CC1CC(=O)CC(=O)O1 MCULE-8800349509 [0,2,0,0,0,0|1,0,1]=4 3087 B9R1.34 CC1CC(=O)CC(C1)C MCULE-7560602452 [0,2,0,0,0,0|0,0,2]=4 3088 B9R1.34 CC1CC(=O)NC(=O)N1 MCULE-2066103800 [0,2,0,0,0,0|2,0,0]=4 3089 B9R1.34 CC1CC(=O)NC(=S)N1 MCULE-3560554851 [0,2,0,0,0,0|2,0,0]=4 3090 B9R1.34 CC1CC(=O)OC(=O)C1 MCULE-7493778576 [0,2,0,0,0,0|1,0,0]=3 3091 B9R1.34 CN1CC(=O)NC(=O)C1 MCULE-9312522895 [0,2,0,0,0,0|2,0,0]=4 3092 B9R1.34 CN1CC(=O)OC(=O)C1 MCULE-5682675378 [0,2,0,0,0,0|2,0,0]=4 3093 B9R1.34 C[C@H]1CC(=O)CC(=O)N1 MCULE-6238430821 [0,2,0,0,0,0|1,0,1]=4 3094 B9R1.34 NC1CC(=O)NC(=O)C1 MCULE-6382091482 [0,2,0,0,0,0|1,0,0]=3 3095 B9R1.34 NC1CC(=O)NC(=O)C1 MCULE-9933185634 [0,2,0,0,0,0|1,0,0]=3 3096 B9R1.34 O=C1CC(=O)OC(=O)C1 MCULE-9015105238 [0,2,0,0,0,0|1,0,1]=4 3097 B9R1.66 CC1(C=COC(=O)C1)C MCULE-6876256388 [0,2,0,0,0,0|1,0,1]=4 3098 B9R1.66 CC1(CC=CC(=O)C1)C MCULE-3774162320 [0,2,0,0,0,0|0,0,0]=2 3099 B9R1.66 CC1(CCCC(=O)C1)C MCULE-5947496314 [0,2,0,0,0,0|0,0,2]=4 3100 B9R1.66 CC1(CCCC(=O)N1)C MCULE-9506005736 [0,2,0,0,0,0|1,0,1]=4 3101 B9R1.66 CC1(CCNC(=O)C1)C MCULE-5703517542 [0,2,0,0,0,0|1,0,1]=4 3102 B9R1.66 CC1(CCOC(=O)C1)C MCULE-4727187858 [0,2,0,0,0,0|1,0,1]=4 3103 B9R1.66 CC1(CCOC(=O)C1)O MCULE-5265065779 [0,2,0,0,0,0|1,0,1]=4 3104 B9R1.66 CC1(COCC(=O)C1)C MCULE-9899246450 [0,2,0,0,0,0|1,0,1]=4 3105 B9R1.66 CC1(CSCC(=O)C1)C MCULE-2479165636 [0,2,0,0,0,0|1,0,1]=4 3106 B9R1.66 C[C@]1(CCOC(=O)C1)O MCULE-9416165586 [0,2,0,0,0,0|1,0,1]=4 3107 B9R1.66 O=C1CC(CCN1)(F)F MCULE-3058421094 [0,2,0,0,0,0|1,0,1]=4 3108 B9R1.66 O=C1CC(CCN1)(F)F MCULE-7491921693 [0,2,0,0,0,0|1,0,1]=4 3109 B9R1.66 O=C1CCCC(C1)(F)F MCULE-2940546181 [0,2,0,0,0,0|0,0,2]=4 3110 B9R1.66 O=C1CCCS(=O)(=O)C1 MCULE-5523551731 [0,2,0,0,0,0|1,0,1]=4 3111 B9R1.66 O=C1CCCS(=O)(=O)N1 MCULE-4670322076 [0,2,0,0,0,0|2,0,0]=4 3112 B9R1.66 O=C1CNCC(C1)(F)F MCULE-6601373156 [0,2,0,0,0,0|1,0,1]=4 3113 B9R1.66 O=C1CNCC(C1)(F)F MCULE-6650400321 [0,2,0,0,0,0|1,0,1]=4 3114 B9R1.40 CC1(C=CCCC1=O)C MCULE-5690264731 [0,2,0,0,0,0|0,0,2]=4 3115 B9R1.40 CC1(CCC=CC1=O)C MCULE-1811364024 [0,2,0,0,0,0|0,0,0]=2 3116 B9R1.40 CC1(CCCCC1=O)C MCULE-8496149275 [0,2,0,0,0,0|0,0,2]=4 3117 B9R1.40 CC1(CCCCC1=O)Cl MCULE-4801960774 [0,2,0,0,0,0|0,0,2]=4 3118 B9R1.40 CC1(CCCNC1=O)C MCULE-4245207122 [0,2,0,0,0,0|1,0,1]=4 3119 B9R1.40 CC1(CCCNC1=O)N MCULE-5500513283 [0,2,0,0,0,0|1,0,1]=4 3120 B9R1.40 CC1(CCCNC1=O)N MCULE-5995809623 [0,2,0,0,0,0|1,0,1]=4 3121 B9R1.40 CC1(CCCOC1=O)C MCULE-9200729474 [0,2,0,0,0,0|1,0,1]=4 3122 B9R1.40 CC1(CCNCC1=O)C MCULE-8773076138 [0,2,0,0,0,0|1,0,1]=4 3123 B9R1.40 CC1(COC=CC1=O)C MCULE-6422133092 [0,2,0,0,0,0|1,0,0]=3 3124 B9R1.40 CC1(OCCCC1=O)C MCULE-1810586504 [0,2,0,0,0,0|1,0,1]=4 3125 B9R1.40 O=C1CCCCC1(F)F MCULE-1502967187 [0,2,0,0,0,0|0,0,2]=4 3126 B9R1.40 O=C1NCCCC1(Br)Br MCULE-8489547230 [0,2,0,0,0,0|1,0,1]=4 3127 B9R1.40 O=C1NCCCC1(F)F MCULE-9481984803 [0,2,0,0,0,0|1,0,1]=4 3128 B7R1.8 CCC1CCC1=O MCULE-5109615435 [0,0,1,1,0,0|0,0,2]=4 3129 B7R1.8 COC1CCC1=O MCULE-6511996246 [0,0,1,1,0,0|1,0,1]=4 3130 B7R1.8 CSC1CCC1=O MCULE-3892720319 [0,0,1,1,0,0|1,0,1]=4 3131 B7R1.15 CC1CC(=O)C1C MCULE-1068922218 [0,0,1,1,0,0|0,0,2]=4 3132 B7R1.22 C=CC(=O)C1CC1 MCULE-4167270466 [0,0,1,1,0,0|0,0,0]=2 3133 B7R1.22 C=CC(O)C1CC1 MCULE-5079761130 [0,0,1,1,0,0|0,0,2]=4 3134 B7R1.22 CCC(=O)C1CC1 MCULE-6231785303 [0,0,1,1,0,0|0,0,2]=4 3135 B7R1.22 CNC(=O)C1CC1 MCULE-5799863193 [0,0,1,1,0,0|1,0,1]=4 3136 B7R1.22 COC(=O)C1CC1 MCULE-3338113454 [0,0,1,1,0,0|1,0,1]=4 3137 B7R1.22 NCC(=O)C1CC1 MCULE-1927654168 [0,0,1,1,0,0|1,0,1]=4 3138 B7R1.22 NCC(=O)C1CC1 MCULE-4415662894 [0,0,1,1,0,0|1,0,1]=4 3139 B7R1.22 NNC(=O)C1CC1 MCULE-3608531301 [0,0,1,1,0,0|2,0,0]=4 3140 B7R1.22 O=C(CBr)C1CC1 MCULE-1037373080 [0,0,1,1,0,0|1,0,1]=4 3141 B7R1.22 O=C(CCl)C1CC1 MCULE-9791345328 [0,0,1,1,0,0|1,0,1]=4 3142 B7R1.22 O=C(CO)C1CC1 MCULE-4276266642 [0,0,1,1,0,0|1,0,1]=4 3143 B7R1.22 O=C(NO)C1CC1 MCULE-2299815322 [0,0,1,1,0,0|2,0,0]=4 3144 B7R1.7 CC/C=C/[C@H]1CO1 MCULE-2083815927 [0,0,1,1,0,0|0,0,2]=4 3145 B7R1.12 C=C1CC1C(=O)O MCULE-4330944573 [0,0,1,1,0,0|1,0,1]=4 3146 B7R1.12 CC(=O)C1CC1C MCULE-5857709747 [0,0,1,1,0,0|0,0,2]=4 3147 B7R1.12 CC(=O)[C@@H]1C[C@H]1C MCULE-4367650211 [0,0,1,1,0,0|0,0,2]=4 3148 B7R1.12 CC1CC1C(=O)Cl MCULE-7645594952 [0,0,1,1,0,0|1,0,1]=4 3149 B7R1.12 CC1CC1C(=O)N MCULE-4145079494 [0,0,1,1,0,0|1,0,1]=4 3150 B7R1.12 CC1CC1C(=O)O MCULE-1757330006 [0,0,1,1,0,0|1,0,1]=4 3151 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-1245851874 [0,0,1,1,0,0|1,0,1]=4 3152 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-9582782871 [0,0,1,1,0,0|1,0,1]=4 3153 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-2621918749 [0,0,1,1,0,0|1,0,1]=4 3154 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-7347988261 [0,0,1,1,0,0|1,0,1]=4 3155 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-4499487863 [0,0,1,1,0,0|1,0,1]=4 3156 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-9300153165 [0,0,1,1,0,0|1,0,1]=4 3157 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-4410115478 [0,0,1,1,0,0|1,0,1]=4 3158 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-6590525761 [0,0,1,1,0,0|1,0,1]=4 3159 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-8070492716 [0,0,1,1,0,0|1,0,1]=4 3160 B7R1.12 NC(=O)C1CC1N MCULE-9433325277 [0,0,1,1,0,0|2,0,0]=4 3161 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F MCULE-2857193174 [0,0,1,1,0,0|2,0,0]=4 3162 B7R1.12 O=C(O)C1CC1Br MCULE-6387317137 [0,0,1,1,0,0|2,0,0]=4 3163 B7R1.12 O=C(O)C1CC1Cl MCULE-8907850405 [0,0,1,1,0,0|2,0,0]=4 3164 B7R1.12 O=C(O)C1CC1F MCULE-8258481986 [0,0,1,1,0,0|2,0,0]=4 3165 B7R1.12 O=C(O)C1CC1I MCULE-9535592263 [0,0,1,1,0,0|2,0,0]=4 3166 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-1882710455 [0,0,1,1,0,0|2,0,0]=4 3167 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7715660561 [0,0,1,1,0,0|2,0,0]=4 3168 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7741460434 [0,0,1,1,0,0|2,0,0]=4 3169 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-2594739726 [0,0,1,1,0,0|2,0,0]=4 3170 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-3033770510 [0,0,1,1,0,0|2,0,0]=4 3171 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-6224902495 [0,0,1,1,0,0|2,0,0]=4 3172 B7R1.12 O=C(O)[C@@H]1C[C@H]1Br MCULE-3031410853 [0,0,1,1,0,0|2,0,0]=4 3173 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-1201733028 [0,0,1,1,0,0|2,0,0]=4 3174 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-5963625184 [0,0,1,1,0,0|2,0,0]=4 3175 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-9724617114 [0,0,1,1,0,0|2,0,0]=4 3176 B7R1.12 O=C(O)[C@@H]1C[C@H]1I MCULE-3702576454 [0,0,1,1,0,0|2,0,0]=4 3177 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-3766204952 [0,0,1,1,0,0|2,0,0]=4 3178 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-4258983574 [0,0,1,1,0,0|2,0,0]=4 3179 B7R1.12 O=C(O)[C@H]1C[C@H]1Br MCULE-3094747797 [0,0,1,1,0,0|2,0,0]=4 3180 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-7993479857 [0,0,1,1,0,0|2,0,0]=4 3181 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-9922834235 [0,0,1,1,0,0|2,0,0]=4 3182 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-5714437007 [0,0,1,1,0,0|2,0,0]=4 3183 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-8000208987 [0,0,1,1,0,0|2,0,0]=4 3184 B7R1.12 [C@H]1(C[C@H]1C(=O)O)C MCULE-9539625763 [0,0,1,1,0,0|1,0,1]=4 3185 B7R1.18 C1(CCN1)C(=O)O MCULE-9324355017 [0,0,1,1,0,0|2,0,0]=4 3186 B7R1.18 CC(=O)C1CCC1 MCULE-5770046789 [0,0,1,1,0,0|0,0,2]=4 3187 B7R1.18 CC(=O)N1C=CC1 MCULE-4207230175 [0,0,1,1,0,0|1,0,1]=4 3188 B7R1.18 CC(=O)N1CCC1 MCULE-6467100562 [0,0,1,1,0,0|1,0,1]=4 3189 B7R1.18 NC(=O)C1CCC1 MCULE-5151176129 [0,0,1,1,0,0|1,0,1]=4 3190 B7R1.18 NC(=O)C1CCN1 MCULE-1856696035 [0,0,1,1,0,0|2,0,0]=4 3191 B7R1.18 NC(=O)C1CCN1 MCULE-5757704016 [0,0,1,1,0,0|2,0,0]=4 3192 B7R1.18 NC(=O)[C@H]1CCN1 MCULE-7187425143 [0,0,1,1,0,0|2,0,0]=4 3193 B7R1.18 O=C(Cl)C1CCC1 MCULE-2155859428 [0,0,1,1,0,0|1,0,1]=4 3194 B7R1.18 O=C(O)C1=CCC1 MCULE-4244912351 [0,0,1,1,0,0|1,0,0]=3 3195 B7R1.18 O=C(O)C1CCC1 MCULE-2498509888 [0,0,1,1,0,0|1,0,1]=4 3196 B7R1.18 O=C(O)C1CCN1 MCULE-1336085891 [0,0,1,1,0,0|2,0,0]=4 3197 B7R1.18 O=C(O)C1CCN1 MCULE-6501890131 [0,0,1,1,0,0|2,0,0]=4 3198 B7R1.18 O=C(O)C1CCN1 MCULE-7647115314 [0,0,1,1,0,0|2,0,0]=4 3199 B7R1.18 O=C(O)C1CCO1 MCULE-6065911736 [0,0,1,1,0,0|2,0,0]=4 3200 B7R1.18 O=C(O)C1CCO1 MCULE-9296370119 [0,0,1,1,0,0|2,0,0]=4 3201 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2126306157 [0,0,1,1,0,0|2,0,0]=4 3202 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2597576629 [0,0,1,1,0,0|2,0,0]=4 3203 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-6006656004 [0,0,1,1,0,0|2,0,0]=4 3204 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-7241612713 [0,0,1,1,0,0|2,0,0]=4 3205 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-5117442811 [0,0,1,1,0,0|2,0,0]=4 3206 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-8116248615 [0,0,1,1,0,0|2,0,0]=4 3207 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-3254184046 [0,0,1,1,0,0|2,0,0]=4 3208 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5162570273 [0,0,1,1,0,0|2,0,0]=4 3209 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5488052558 [0,0,1,1,0,0|2,0,0]=4 3210 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-8240936495 [0,0,1,1,0,0|2,0,0]=4 3211 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-5499247834 [0,0,1,1,0,0|2,0,0]=4 3212 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-7468207073 [0,0,1,1,0,0|2,0,0]=4 3213 B7R1.20 CC(=O)CC1CC1 MCULE-3465510397 [0,0,1,1,0,0|0,0,2]=4 3214 B7R1.20 CC(=O)NC1CC1 MCULE-7553641762 [0,0,1,1,0,0|1,0,1]=4 3215 B7R1.20 NC(=O)CC1CC1 MCULE-3835601763 [0,0,1,1,0,0|1,0,1]=4 3216 B7R1.20 NC(=O)CC1CO1 MCULE-9954364706 [0,0,1,1,0,0|2,0,0]=4 3217 B7R1.20 O=C(Cl)CC1CC1 MCULE-9640878584 [0,0,1,1,0,0|1,0,1]=4 3218 B7R1.20 O=C(O)C=C1CC1 MCULE-7214971091 [0,0,1,1,0,0|1,0,0]=3 3219 B7R1.20 O=C(O)CC1CC1 MCULE-3026300598 [0,0,1,1,0,0|1,0,1]=4 3220 B7R1.20 O=C(O)CC1CO1 MCULE-5322663834 [0,0,1,1,0,0|2,0,0]=4 3221 B7R1.20 O=C(O)C[C@H]1CO1 MCULE-2418249972 [0,0,1,1,0,0|2,0,0]=4 3222 B7R1.24 C1=CCCCC=C1 MCULE-2850567195 [0,0,1,1,0,0|1,0,0]=3 3223 B7R1.24 C1=CCCCCC1 MCULE-4514853156 [0,0,1,1,0,0|1,0,1]=4 3224 B7R2.13 C1=CC2OC2C1 MCULE-9601635666 [1,0,0,1,0,0|1,0,1]=4 3225 B9R2.7 O=C1CC2C1C=CC2 MCULE-3852880142 [0,0,0,1,0,1|0,0,0]=2 3226 B9R2.7 O=C1CC2C1CC=C2 MCULE-8739489327 [0,0,0,1,0,1|0,0,2]=4 3227 B9R2.7 O=C1CC2C1CNC2 MCULE-7088124346 [0,0,0,1,0,1|0,0,2]=4 3228 B9R2.7 O=C1CC2C1CNC2 MCULE-9132894100 [0,0,0,1,0,1|0,0,2]=4 3229 B9R2.7 O=C1CC2C1NCC2 MCULE-5565431334 [0,0,0,1,0,1|0,0,2]=4 3230 B9R2.7 O=C1CC2C1NCC2 MCULE-8877801710 [0,0,0,1,0,1|0,0,2]=4 3231 B9R2.7 O=C1CC2C1OCC2 MCULE-9845403948 [0,0,0,1,0,1|0,0,2]=4 3232 B9R2.7 O=C1C[C@H]2[C@@H]1OCC2 MCULE-7616272357 [0,0,0,1,0,1|0,0,2]=4 3233 B9R2.7 O=C1NC2C1CCC2 MCULE-4665683392 [0,0,0,1,0,1|0,0,2]=4 3234 B9R2.7 O=C1N[C@@H]2[C@H]1CCC2 MCULE-6354748107 [0,0,0,1,0,1|0,0,2]=4 3235 B9R2.7 [C@@H]12CCO[C@@H]1C(=O)C2 MCULE-8869936364 [0,0,0,1,0,1|0,0,2]=4 3236 B9R2.7 [C@H]12C=CC[C@H]1C(=O)C2 MCULE-3330844006 [0,0,0,1,0,1|0,0,2]=4 3237 B9R2.7 [C@H]12CC=C[C@H]1CC2=O MCULE-9153185805 [0,0,0,1,0,1|0,0,2]=4 3238 B9R2.7 [C@H]12CCC[C@H]1NC2=O MCULE-8553168635 [0,0,0,1,0,1|0,0,2]=4 3239 B9R2.20 CC1=CC=[N+]2N1CC2 MCULE-1819818089 [0,0,0,1,0,1|2,0,0]=4 3240 B9R2.20 O=C1CCC2C1C=C2 MCULE-8039343866 [0,0,0,1,0,1|0,0,0]=2 3241 B9R2.20 O=C1OCC2C1CC2 MCULE-4454485399 [0,0,0,1,0,1|0,0,2]=4 3242 B9R2.20 O=C1OC[C@@H]2[C@@H]1CC2 MCULE-8016618193 [0,0,0,1,0,1|0,0,2]=4 3243 B9R2.21 O=C1CC2CC2CN1 MCULE-8535104450 [0,0,0,1,0,1|0,0,2]=4 3244 B9R2.21 O=C1CCC2CC2N1 MCULE-1049659983 [0,0,0,1,0,1|0,0,2]=4 3245 B9R2.68 C1=CC2CCC(C1)C2 MCULE-8992637581 [0,0,0,1,0,1|1,0,1]=4 3246 B9R2.68 C1=CC2CCC(C1)N2 MCULE-1995611558 [0,0,0,1,0,1|1,0,1]=4 3247 B9R2.68 C1=CC2CCC(C1)N2 MCULE-9979902994 [0,0,0,1,0,1|1,0,1]=4 3248 B9R2.68 C1=CC2CCCC1N2 MCULE-4212297624 [0,0,0,1,0,1|1,0,1]=4 3249 B9R2.68 C1=CC2COCC1N2 MCULE-5031623887 [0,0,0,1,0,1|1,0,1]=4 3250 B9R2.68 [C@@H]12C=CC[C@@H](C1)CC2 MCULE-3286132303 [0,0,0,1,0,1|1,0,1]=4 3251 B9R2.68 [C@@H]12C=CC[C@@H](C1)CC2 MCULE-8863392768 [0,0,0,1,0,1|1,0,1]=4 3252 B9R2.109 O=C1CCCC2C1C2 MCULE-3371095042 [0,0,0,1,0,1|0,0,2]=4 3253 B9R2.109 O=C1CCCC2C1O2 MCULE-6955178123 [0,0,0,1,0,1|0,0,2]=4 3254 B9R2.109 O=C1NCCC2C1C2 MCULE-8817732346 [0,0,0,1,0,1|0,0,2]=4 3255 B9R2.109 [C@@H]12CCCC(=O)[C@@H]1C2 MCULE-9081823070 [0,0,0,1,0,1|0,0,2]=4 3256 B9R2.24 [C@H]12C=C[C@H]([C@@H]1Br)CC2 MCULE-7535552076 [0,1,0,1,0,0|1,0,1]=4 3257 B9R2.49 C1=CC2CCC1CN2 MCULE-8657626482 [0,1,0,1,0,0|1,0,1]=4 3258 B9R2.49 C1=CC2CCC1CN2 MCULE-9900336887 [0,1,0,1,0,0|1,0,1]=4 3259 B9R2.49 C1=CC2CCC1NO2 MCULE-5517632261 [0,1,0,1,0,0|0,0,2]=4 3260 B9R2.49 C1=CC2CCC1NO2 MCULE-9375320805 [0,1,0,1,0,0|0,0,2]=4 3261 B9R2.19 O=C1CCC2CC1C2 MCULE-7777720832 [0,1,0,1,0,0|0,0,2]=4 3262 B9R2.19 O=C1NCC2CC1C2 MCULE-1404448235 [0,1,0,1,0,0|1,0,1]=4 3263 B9R2.19 O=C1NCC2CC1N2 MCULE-4322893965 [0,1,0,1,0,0|1,0,1]=4 3264 B9R2.40 CC12CCC(=O)C1C2 MCULE-1791110578 [0,1,0,1,0,0|0,0,2]=4 3265 B9R2.8 O=C1CC2CC(C1)C2 MCULE-9643976907 [0,1,0,1,0,0|0,0,2]=4 3266 B9R2.8 O=C1CC2CC(C1)N2 MCULE-3666889878 [0,1,0,1,0,0|0,0,2]=4 3267 B9R2.25 NC1=NC(=O)N2C1C2 MCULE-5660903088 [0,1,0,1,0,0|2,0,0]=4 3268 B9R2.25 O=C1NC(=O)C2C1C2 MCULE-6452102558 [0,1,0,1,0,0|1,0,0]=3 3269 B9R2.25 O=C1OC(=O)C2C1C2 MCULE-2570796017 [0,1,0,1,0,0|1,0,0]=3 3270 B9R2.39 BrC1=CC2CCC1C2 MCULE-1542178097 [0,1,0,1,0,0|1,0,1]=4 3271 B9R2.39 CC1CC2C=CC1C2 MCULE-3947603169 [0,1,0,1,0,0|1,0,1]=4 3272 B9R2.39 NC1CC2C=CC1C2 MCULE-4899159077 [0,1,0,1,0,0|1,0,1]=4 3273 B9R2.39 NC1CC2C=CC1C2 MCULE-7652327023 [0,1,0,1,0,0|1,0,1]=4 3274 B9R2.39 NC1CC2C=CC1O2 MCULE-6534343536 [0,1,0,1,0,0|0,0,2]=4 3275 B9R2.39 NC1CC2C=CC1O2 MCULE-8921143467 [0,1,0,1,0,0|0,0,2]=4 3276 B9R2.39 O=C1CC2C=CC1C2 MCULE-9956317855 [0,1,0,1,0,0|0,0,2]=4 3277 B9R2.39 O=C1CC2CCC1C2 MCULE-2467634489 [0,1,0,1,0,0|0,0,2]=4 3278 B9R2.39 O=C1CC2CCC1N2 MCULE-2060564396 [0,1,0,1,0,0|0,0,2]=4 3279 B9R2.39 O=C1CC2CCC1N2 MCULE-3298355504 [0,1,0,1,0,0|0,0,2]=4 3280 B9R2.39 O=C1CC2CCC1O2 MCULE-3122768457 [0,1,0,1,0,0|0,0,2]=4 3281 B9R2.39 O=C1CC2CNC1C2 MCULE-1302527504 [0,1,0,1,0,0|1,0,1]=4 3282 B9R2.39 O=C1CC2CNC1C2 MCULE-3367580397 [0,1,0,1,0,0|1,0,1]=4 3283 B9R2.39 O=C1CN2CCC1C2 MCULE-2930167084 [0,1,0,1,0,0|1,0,1]=4 3284 B9R2.39 O=C1CN2CCC1C2 MCULE-6962814008 [0,1,0,1,0,0|1,0,1]=4 3285 B9R2.39 O=C1C[C@@H]2CC[C@H]1C2 MCULE-9992741520 [0,1,0,1,0,0|0,0,2]=4 3286 B9R2.39 O=C1C[C@H]2CC[C@@H]1C2 MCULE-2228698965 [0,1,0,1,0,0|0,0,2]=4 3287 B9R2.39 O=C1NC2CCC1C2 MCULE-2050587567 [0,1,0,1,0,0|1,0,1]=4 3288 B9R2.39 O=C1N[C@@H]2CC[C@H]1C2 MCULE-2601085316 [0,1,0,1,0,0|1,0,1]=4 3289 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 MCULE-6863863448 [0,1,0,1,0,0|1,0,1]=4 3290 B9R2.39 OC1CC2C=CC1C2 MCULE-4941839757 [0,1,0,1,0,0|1,0,1]=4 3291 B9R2.39 [C@@H]12C=C([C@@H](C1)CC2)Br MCULE-1979441209 [0,1,0,1,0,0|1,0,1]=4 3292 B9R2.39 [C@@H]12C=C([C@@H](C1)CC2)C MCULE-9983936985 [0,1,0,1,0,0|1,0,1]=4 3293 B9R2.39 [C@H]12C=C[C@H](C1)C(C2)O MCULE-3338276421 [0,1,0,1,0,0|1,0,1]=4 3294 B9R2.39 [C@H]12CCN(C1)CC2=O MCULE-4642920839 [0,1,0,1,0,0|1,0,1]=4 3295 B9R2.39 [C@H]12CC[C@H](C1)C(=O)N2 MCULE-3838940137 [0,1,0,1,0,0|1,0,1]=4 3296 B9R2.39 [C@H]12CC[C@H](C1)CC2=O MCULE-1488894938 [0,1,0,1,0,0|0,0,2]=4 3297 B5R1.1 C1=CCC=C1 MCULE-1776679581 [1,0,0,0,1,0|0,0,1]=3 3298 B5R1.1 C1=CCCC1 MCULE-8785635218 [1,0,0,0,1,0|0,0,0]=2 3299 B5R1.1 C1=CCNC1 MCULE-4645888757 [1,0,0,0,1,0|1,0,0]=3 3300 B5R1.1 C1=CCNC1 MCULE-7386427096 [1,0,0,0,1,0|1,0,0]=3 3301 B5R1.1 C1=CCOC1 MCULE-1252378718 [1,0,0,0,1,0|1,0,0]=3 3302 B5R1.1 C1=CCSC1 MCULE-7848219599 [1,0,0,0,1,0|1,0,0]=3 3303 B5R1.1 C1=CNC=C1 MCULE-7417495535 [1,0,0,0,1,0|1,0,1]=4 3304 B5R1.1 C1=CNN=C1 MCULE-9342475145 [1,0,0,0,1,0|2,0,0]=4 3305 B5R1.1 C1=COC=C1 MCULE-6076190179 [1,0,0,0,1,0|1,0,1]=4 3306 B5R1.1 C1=COCC1 MCULE-7714726225 [1,0,0,0,1,0|1,0,0]=3 3307 B5R1.1 C1=CON=C1 MCULE-4177650025 [1,0,0,0,1,0|2,0,0]=4 3308 B5R1.1 C1=CSC=C1 MCULE-5759025979 [1,0,0,0,1,0|1,0,1]=4 3309 B5R1.1 C1=CSN=C1 MCULE-7711497319 [1,0,0,0,1,0|2,0,0]=4 3310 B5R1.1 C1=C[Se]C=C1 MCULE-2438977476 [1,0,0,0,1,0|1,0,1]=4 3311 B5R1.1 C1=NCCN1 MCULE-6281004177 [1,0,0,0,1,0|2,0,0]=4 3312 B5R1.1 C1=NNCC1 MCULE-2270087414 [1,0,0,0,1,0|2,0,0]=4 3313 B5R1.1 C1CCNC1 MCULE-2816679267 [1,0,0,0,1,0|1,0,1]=4 3314 B5R1.1 C1CCNC1 MCULE-8439725600 [1,0,0,0,1,0|1,0,1]=4 3315 B5R1.1 C1CCNC1 MCULE-8653165010 [1,0,0,0,1,0|1,0,1]=4 3316 B5R1.1 C1CCNC1 MCULE-9053007443 [1,0,0,0,1,0|1,0,1]=4 3317 B5R1.1 C1CCOC1 MCULE-3873245085 [1,0,0,0,1,0|1,0,1]=4 3318 B5R1.1 C1CCSC1 MCULE-4519380555 [1,0,0,0,1,0|1,0,1]=4 3319 B5R1.1 C1CNNC1 MCULE-9192384720 [1,0,0,0,1,0|2,0,0]=4 3320 B5R1.1 C1CNNC1 MCULE-9418244562 [1,0,0,0,1,0|2,0,0]=4 3321 B5R1.1 C1CNOC1 MCULE-3922840312 [1,0,0,0,1,0|2,0,0]=4 3322 B5R1.1 C1CNOC1 MCULE-6084499894 [1,0,0,0,1,0|2,0,0]=4 3323 B5R1.2 BrC1=CCC1 MCULE-7839710306 [0,0,0,0,2,0|1,0,0]=3 3324 B5R1.2 BrC1CCC1 MCULE-3713567804 [0,0,0,0,2,0|1,0,1]=4 3325 B5R1.2 C=C1CCC1 MCULE-8318650413 [0,0,0,0,2,0|1,0,0]=3 3326 B5R1.2 C=C1CNC1 MCULE-1391021267 [0,0,0,0,2,0|2,0,0]=4 3327 B5R1.2 C=C1CNC1 MCULE-7957953185 [0,0,0,0,2,0|2,0,0]=4 3328 B5R1.2 C=C1COC1 MCULE-1822645869 [0,0,0,0,2,0|2,0,0]=4 3329 B5R1.2 ClC1CCC1 MCULE-2602937313 [0,0,0,0,2,0|1,0,1]=4 3330 B5R1.2 IC1CCC1 MCULE-3890796264 [0,0,0,0,2,0|1,0,1]=4 3331 B5R1.2 NC1CCC1 MCULE-7511834789 [0,0,0,0,2,0|1,0,1]=4 3332 B5R1.2 NC1CCC1 MCULE-9118406840 [0,0,0,0,2,0|1,0,1]=4 3333 B5R1.2 NN1CCC1 MCULE-8176731673 [0,0,0,0,2,0|2,0,0]=4 3334 B5R1.2 NN1CCC1 MCULE-8382619719 [0,0,0,0,2,0|2,0,0]=4 3335 B5R1.2 O=C1CCC1 MCULE-4870967355 [0,0,0,0,2,0|0,0,0]=2 3336 B5R1.2 O=C1CCN1 MCULE-9053067221 [0,0,0,0,2,0|1,0,0]=3 3337 B5R1.2 O=C1CCO1 MCULE-1277069147 [0,0,0,0,2,0|1,0,0]=3 3338 B5R1.2 O=C1CNC1 MCULE-5171659870 [0,0,0,0,2,0|1,0,0]=3 3339 B5R1.2 O=C1CNC1 MCULE-8293494956 [0,0,0,0,2,0|1,0,0]=3 3340 B5R1.2 O=C1COC1 MCULE-6847248632 [0,0,0,0,2,0|1,0,0]=3 3341 B5R1.2 O=C1CSC1 MCULE-4436071261 [0,0,0,0,2,0|1,0,0]=3 3342 B5R1.2 OC1CCC1 MCULE-2856311430 [0,0,0,0,2,0|0,0,2]=4 3343 B5R1.2 SC1CCC1 MCULE-1779239394 [0,0,0,0,2,0|0,1,1]=4 3344 B9R1.50 BrC1=CCCCCCC1 MCULE-5795272491 [0,0,0,0,0,2|1,0,1]=4 3345 B9R1.50 BrC1=CCCCCCC1 MCULE-6505985509 [0,0,0,0,0,2|1,0,1]=4 3346 B9R1.50 BrC1C=CCCCCC1 MCULE-8233462837 [0,0,0,0,0,2|1,0,1]=4 3347 B9R1.50 BrC1CCC=CCCC1 MCULE-5430929676 [0,0,0,0,0,2|1,0,1]=4 3348 B9R1.50 BrC1CCC=CCCC1 MCULE-8399394388 [0,0,0,0,0,2|1,0,1]=4 3349 B9R1.50 NC1C=CCCCCC1 MCULE-1781220815 [0,0,0,0,0,2|1,0,1]=4 3350 B9R1.50 NC1C=CCCCCC1 MCULE-9435374048 [0,0,0,0,0,2|1,0,1]=4 3351 B9R1.50 NC1CCC=CCCC1 MCULE-2669632697 [0,0,0,0,0,2|1,0,1]=4 3352 B9R1.50 NC1CCC=CCCC1 MCULE-6356073341 [0,0,0,0,0,2|1,0,1]=4 3353 B9R1.50 O=C1C=CCCCCC1 MCULE-8923461119 [0,0,0,0,0,2|0,0,0]=2 3354 B9R1.50 O=C1CCCCCCC1 MCULE-1352803313 [0,0,0,0,0,2|0,0,2]=4 3355 B9R1.50 O=C1CCCCCCN1 MCULE-4051743080 [0,0,0,0,0,2|0,0,2]=4 3356 B9R1.50 O=C1CCCCCCO1 MCULE-5149380112 [0,0,0,0,0,2|0,0,2]=4 3357 B9R1.50 O=C1CCNCCCN1 MCULE-8530271368 [0,0,0,0,0,2|0,0,2]=4 3358 B9R1.50 O=C1CCNCCCN1 MCULE-9622115909 [0,0,0,0,0,2|0,0,2]=4 3359 B9R1.50 O=C1CNCCCNC1 MCULE-1626282034 [0,0,0,0,0,2|0,0,2]=4 3360 B9R1.50 O=C1CNCCCNC1 MCULE-7735828109 [0,0,0,0,0,2|0,0,2]=4 3361 B9R1.50 O=C1NCCCCCN1 MCULE-7237090911 [0,0,0,0,0,2|0,0,2]=4 3362 B9R1.50 OC1C=CCCCCC1 MCULE-1181214133 [0,0,0,0,0,2|0,0,2]=4 3363 B9R1.50 OC1CCC=CCCC1 MCULE-1736825337 [0,0,0,0,0,2|0,0,2]=4 3364 B9R1.50 OC1CCC=CCCC1 MCULE-6297988885 [0,0,0,0,0,2|0,0,2]=4 3365 B9R1.50 O[C@@H]1CCC=CCCC1 MCULE-2143953157 [0,0,0,0,0,2|0,0,2]=4 3366 B9R1.50 O[C@H]1CCC=CCCC1 MCULE-9747750449 [0,0,0,0,0,2|0,0,2]=4