0 B20R3.756 NNC1=NC2=C(C=CC=C2)C(N1)C3=CC=CC=C3 MCULE-2805844862 [0,0,0,0,0,0|3,0,1]=4 1 B19R3.294 CN1CC2=CC=CC=C2C(C1)C3=CC=CC=C3 MCULE-2947455362 [1,0,0,0,0,0|1,0,0]=2 2 B19R3.294 O=C1CC(C2=C(O1)C=CC=C2)C3=CC=CC=C3 MCULE-5525009148 [1,0,0,0,0,0|2,0,1]=4 3 B19R3.294 O=C1CC2=C(C=CC=C2)C(N1)C3=CC=CC=C3 MCULE-2727124558 [1,0,0,0,0,0|2,0,1]=4 4 B21R3.1016 ON=C1CC2=C(C=CC(=C2)O)C(C1)C3=CC=CC=C3 MCULE-2874237791 [0,1,0,0,0,0|1,0,2]=4 5 B19R2.3967 CN/C(=N\C1=CC=CC=C1)/SCC2=CC=CC=C2 MCULE-8127609165 [0,0,1,0,0,0|2,0,1]=4 6 B19R2.3967 CN/C(=N\C1=CC=CC=C1)/SCC2=CC=CC=C2 MCULE-9667066192 [0,0,1,0,0,0|2,0,1]=4 7 B19R2.12918 CC(=NO)CC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-2944920808 [0,0,1,0,0,0|1,0,2]=4 8 B19R2.12918 CNC(=S)NC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-7402631966 [0,0,1,0,0,0|2,0,1]=4 9 B19R2.12918 COC(=O)CC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-1871085776 [0,0,1,0,0,0|2,0,1]=4 10 B19R2.12918 NNC(=O)CC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-1111263920 [0,0,1,0,0,0|2,0,1]=4 11 B19R2.12918 O=C(CC(C1=CC=CC=C1)C2=CC=CC=C2)NO MCULE-9850302377 [0,0,1,0,0,0|2,0,1]=4 12 B21R4.754368 N#CC1CC2C3=CC=CC=C3C1C4=CC=CC=C24 MCULE-2520977011 [0,0,0,1,0,0|2,0,0]=3 13 B21R4.754368 NCC1CC2C3=C(C1C4=C2C=CC=C4)C=CC=C3 MCULE-3309065217 [0,0,0,1,0,0|2,0,0]=3 14 B21R4.754368 NCC1CC2C3=C(C1C4=C2C=CC=C4)C=CC=C3 MCULE-7387652405 [0,0,0,1,0,0|2,0,0]=3 15 B18R2.2429 CC(CC1=CC=CC=C1)NCC2=CC=CC=C2 MCULE-1075831550 [1,0,1,0,0,0|1,0,0]=3 16 B18R2.2429 CN(CCC1=CC=CC=C1)CC2=CC=CN=C2 MCULE-7828179061 [1,0,1,0,0,0|2,0,0]=4 17 B18R2.2429 CN(CCC1=CC=CC=C1)CC2=CC=NC=C2 MCULE-8240392442 [1,0,1,0,0,0|2,0,0]=4 18 B18R2.2429 CN(CCC1=CC=CC=C1)CC2=NC=CC=C2 MCULE-9321948147 [1,0,1,0,0,0|2,0,0]=4 19 B18R2.2429 CN(CCC1=CC=CC=N1)CC2=CC=CC=C2 MCULE-7117514963 [1,0,1,0,0,0|2,0,0]=4 20 B18R2.2429 CN(CCC1=CC=CC=N1)CC2=CC=CC=C2 MCULE-7557301129 [1,0,1,0,0,0|2,0,0]=4 21 B18R2.2429 NC(CNC1=CC=CC=C1)CC2=CC=CC=C2 MCULE-7482976071 [1,0,1,0,0,0|1,0,0]=3 22 B18R2.2429 NC(COC1=CC=CC=C1)CC2=CC=CC=C2 MCULE-4996468259 [1,0,1,0,0,0|1,0,0]=3 23 B18R2.2429 O=C(CCC1=CC=CC=C1)CC2=CC=CC=C2 MCULE-1998636296 [1,0,1,0,0,0|1,0,1]=4 24 B18R2.40 CCCCC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-6029936857 [1,0,1,0,0,0|1,0,0]=3 25 B18R2.40 CCCCN(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-7343790097 [1,0,1,0,0,0|2,0,0]=4 26 B18R2.40 CCCCP(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-7088028629 [1,0,1,0,0,0|2,0,0]=4 27 B18R2.40 CNCCC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-1651295578 [1,0,1,0,0,0|0,0,0]=2 28 B18R2.40 CNCCC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-4977594326 [1,0,1,0,0,0|0,0,0]=2 29 B18R2.40 N#CCCC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-4348076434 [1,0,1,0,0,0|2,0,0]=4 30 B18R2.40 NCCCC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-7144031505 [1,0,1,0,0,0|2,0,0]=4 31 B18R2.40 NCCCC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-8258442400 [1,0,1,0,0,0|2,0,0]=4 32 B18R2.240 CNCCC1=C(C=CC=C1)SC2=CC=CC=C2 MCULE-3669075216 [1,0,1,0,0,0|1,0,0]=3 33 B18R2.7181 CC(N)CC1=CC=CC=C1SC2=CC=CC=C2 MCULE-7570976217 [1,0,1,0,0,0|1,0,0]=3 34 B18R2.7181 CC(N)CC1=CC=CC=C1SC2=CC=CC=C2 MCULE-7926566383 [1,0,1,0,0,0|1,0,0]=3 35 B18R2.7181 CN(C)CC1=C(C=CC=C1)CC2=CC=CC=C2 MCULE-4707700131 [1,0,1,0,0,0|1,0,0]=3 36 B18R2.7181 CN(C)CC1=C(C=CC=C1)CC2=CC=CC=C2 MCULE-6858408935 [1,0,1,0,0,0|1,0,0]=3 37 B18R2.7181 CN(C)CC1=C(C=CC=C1)SC2=CC=CC=C2 MCULE-7050820131 [1,0,1,0,0,0|2,0,0]=4 38 B18R2.7181 CN(C)CC1=C(C=CC=C1)SC2=CC=CC=C2 MCULE-9003122036 [1,0,1,0,0,0|2,0,0]=4 39 B18R2.7184 CC(=O)CC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-4317160751 [1,0,1,0,0,0|1,0,1]=4 40 B18R2.7184 CN(C)CC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-9768764141 [1,0,1,0,0,0|1,0,0]=3 41 B18R2.7184 C[NH+](C)CC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-6932093159 [1,0,1,0,0,0|1,0,0]=3 42 B18R2.7184 NC(=O)CC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-4327536832 [1,0,1,0,0,0|1,0,1]=4 43 B18R3.2108 C1=CC(=CN=C1)C2NCCC3=C2C=CC=C3 MCULE-4432447696 [2,0,0,0,0,0|2,0,0]=4 44 B18R3.2108 C1=CC=C(C=C1)C2=NCCC3=C2C=CC=C3 MCULE-2692091972 [2,0,0,0,0,0|1,0,1]=4 45 B18R3.2108 C1=CC=C(C=C1)C2=NCCC3=CC=CC=C23 MCULE-4339615326 [2,0,0,0,0,0|1,0,1]=4 46 B18R3.2108 C1=CC=C(C=C1)C2CCCC3=C2C=CC=C3 MCULE-9642975721 [2,0,0,0,0,0|0,0,0]=2 47 B18R3.2108 C1=CC=C(C=C1)C2CCNC3=C2C=CC=C3 MCULE-3496798209 [2,0,0,0,0,0|1,0,0]=3 48 B18R3.2108 C1=CC=C(C=C1)C2CNCC3=C2C=CC=C3 MCULE-5235487021 [2,0,0,0,0,0|1,0,0]=3 49 B18R3.2108 C1=CC=C(C=C1)C2CNCC3=C2C=CC=C3 MCULE-5575070345 [2,0,0,0,0,0|1,0,0]=3 50 B18R3.2108 C1=CC=C(C=C1)C2NCCC3=C2C=CC=C3 MCULE-6824224070 [2,0,0,0,0,0|1,0,0]=3 51 B18R3.2108 C1=CC=C(C=C1)C2NCCC3=C2C=CC=C3 MCULE-7942000917 [2,0,0,0,0,0|1,0,0]=3 52 B18R3.2108 C1=CC=C(C=C1)C2NCCC3=C2C=CC=C3 MCULE-9673245386 [2,0,0,0,0,0|1,0,0]=3 53 B18R3.2108 C1=CC=C(C=C1)[C@@H]2NCCC3=C2C=CC=C3 MCULE-5418727224 [2,0,0,0,0,0|1,0,0]=3 54 B18R3.2108 C1=CC=C(C=C1)[C@@H]2NCCC3=CC=CC=C23 MCULE-9676438486 [2,0,0,0,0,0|1,0,0]=3 55 B18R3.2108 C1=CC=C(C=C1)[C@H]2NCCC3=C2C=CC=C3 MCULE-9833414022 [2,0,0,0,0,0|1,0,0]=3 56 B18R3.2108 C1=CC=C(C=C1)[C@H]2NCCC3=CC=CC=C23 MCULE-4077499004 [2,0,0,0,0,0|1,0,0]=3 57 B18R3.2108 C1=CC=C2C(=C1)CCNC2C3=CC=NC=C3 MCULE-6306759874 [2,0,0,0,0,0|2,0,0]=4 58 B20R2.2593 O=C(O)C(CCC1=CC=CC=C1)CC2=CC=CC=C2 MCULE-6008346932 [0,1,1,0,0,0|2,0,0]=4 59 B20R2.2879 OCCN(CCC1=CC=CC=C1)CC2=CC=CC=C2 MCULE-4123959837 [0,1,1,0,0,0|2,0,0]=4 60 B20R2.12415 CCN(CC1=CC=CC=C1)CC(O)C2=CC=CC=C2 MCULE-7323412302 [0,1,1,0,0,0|2,0,0]=4 61 B20R2.21885 CNCCOC(C1=CC=CC=C1)C2=CC=CC=C2C MCULE-7888368317 [0,1,1,0,0,0|0,0,0]=2 62 B20R2.21885 CNCCOC(C1=CC=CC=C1)C2=CC=CC=C2C MCULE-8477718810 [0,1,1,0,0,0|0,0,0]=2 63 B20R2.252075 CNC(=O)CC(C1=CC=CC=C1)C2=C(C=CC=C2)Cl MCULE-9829071558 [0,1,1,0,0,0|1,0,1]=4 64 B20R2.16877 CNC(C)CC1=CC=CC=C1SC2=CC=C(C=C2)O MCULE-7916979727 [0,1,1,0,0,0|1,0,0]=3 65 B20R2.16877 CNC(C)CC1=CC=CC=C1SC2=CC=C(C=C2)O MCULE-9899443662 [0,1,1,0,0,0|1,0,0]=3 66 B20R2.14082 CNCC(O)CN(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-6209157628 [0,1,1,0,0,0|2,0,0]=4 67 B20R2.16880 CNC(=O)CC(C1=CC=CC=C1)C2=CC=CC(=C2)Cl MCULE-6240205182 [0,1,1,0,0,0|1,0,1]=4 68 B20R2.16883 CNC(=O)CC(C1=CC=CC=C1)C2=CC=C(C=C2)Cl MCULE-9200778775 [0,1,1,0,0,0|1,0,1]=4 69 B20R3.12176 CN1CC2=C(C=CC=C2N)C(C1)C3=CC=CC=C3 MCULE-1108577067 [1,1,0,0,0,0|1,0,0]=3 70 B20R3.12176 CN1CC2=C(C=CC=C2N)C(C1)C3=CC=CC=C3 MCULE-2103338746 [1,1,0,0,0,0|1,0,0]=3 71 B20R3.12176 CN1CC2=C(C=CC=C2N)C(C1)C3=CC=CC=C3 MCULE-6395322411 [1,1,0,0,0,0|1,0,0]=3 72 B22R3.1180801 CCC1NC2=C(C=CC=C2)C(C1C)NC3=CC=CC=C3 MCULE-9755515537 [0,1,0,0,0,1|2,0,0]=4 73 B22R3.26285 NCCN1CC2=CC=CC=C2OC(C1)C3=CC=CC=C3 MCULE-4137369156 [0,1,0,0,0,1|2,0,0]=4 74 B20R3.277 CN1C2=CC=CC=C2N=C1CCC3=CC=CC=C3 MCULE-1556629747 [0,0,1,1,0,0|1,0,1]=4 75 B20R3.30190 C1=CC=C(C=C1)CCN2CCC3=CC=CC=C3C2 MCULE-9500465824 [0,0,1,1,0,0|2,0,0]=4 76 B20R3.250 C[C@H]1CCN1C(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-7003254017 [0,0,1,1,0,0|2,0,0]=4 77 B20R3.27675 CC1COC(C1)(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-8778539457 [0,0,1,1,0,0|2,0,0]=4 78 B20R4.245874 OC1CC2C3=CC=CC=C3C1C4=C2C=CC=C4 MCULE-1891461703 [1,0,0,1,0,0|1,0,0]=3 79 B22R4.15043662 CC(=O)C1CC2C3=CC=CC=C3C1C4=C2C=CC=C4 MCULE-1413232633 [0,1,0,1,0,0|1,0,0]=3 80 B22R4.15043662 O=C(O)C1CC2C3=C(C1C4=C2C=CC=C4)C=CC=C3 MCULE-2715739053 [0,1,0,1,0,0|2,0,0]=4 81 B18R2.199 NCC(CC1=CC=CC=C1)CC2=CC=CC=C2 MCULE-1888473464 [0,0,1,0,1,0|2,0,0]=4 82 B18R2.199 NCC(CC1=CC=CC=C1)CC2=CC=CC=C2 MCULE-9464449535 [0,0,1,0,1,0|2,0,0]=4 83 B18R2.199 O=CC(CC1=CC=CC=C1)CC2=CC=CC=C2 MCULE-3597351495 [0,0,1,0,1,0|2,0,0]=4 84 B18R2.3606 COC(COC1=CC=CC=C1)C2=CC=CC=C2 MCULE-8000213755 [0,0,1,0,1,0|2,0,0]=4 85 B18R2.9309 CNC(=O)C1=C(C=CC=C1)CC2=CC=CC=C2 MCULE-1794149728 [0,0,1,0,1,0|1,0,1]=4 86 B18R3.182 BrC1CC2=C(C1[N+]3=CC=CC=C3)C=CC=C2 MCULE-3788950650 [1,0,0,0,1,0|2,0,0]=4 87 B18R3.182 BrC1CC2=C(C1[N+]3=CC=CC=C3)C=CC=C2 MCULE-9272498951 [1,0,0,0,1,0|2,0,0]=4 88 B18R3.11551 O=C1CC(C2=C1C=CC=C2)C3=CC=CC=C3 MCULE-9726442255 [1,0,0,0,1,0|1,0,1]=4 89 B18R3.11551 OC1CC(C2=C1C=CC=C2)C3=CC=CC=C3 MCULE-5763091021 [1,0,0,0,1,0|1,0,0]=3 90 B18R3.11551 OC1OC(C2=CC=CC=C12)C3=CC=CC=C3 MCULE-4274720285 [1,0,0,0,1,0|2,0,0]=4 91 B20R2.79822 CNCCC(OC1=C(C=CC=C1)C)C2=CC=CC=C2 MCULE-6346465124 [0,0,1,0,0,1|0,0,0]=2 92 B20R2.79822 CNCCC(OC1=C(C=CC=C1)C)C2=CC=CC=C2 MCULE-6527895986 [0,0,1,0,0,1|0,0,0]=2 93 B20R2.79822 CNCC[C@@H](OC1=CC=CC=C1C)C2=CC=CC=C2 MCULE-1168496209 [0,0,1,0,0,1|0,0,0]=2 94 B20R2.79822 CNCC[C@@H](OC1=CC=CC=C1C)C2=CC=CC=C2 MCULE-2514355142 [0,0,1,0,0,1|0,0,0]=2 95 B20R2.79822 CNCC[C@@H](OC1=CC=CC=C1C)C2=CC=CC=C2 MCULE-6867007877 [0,0,1,0,0,1|0,0,0]=2 96 B20R2.79822 CNCC[C@@H](OC1=CC=CC=C1C)C2=CC=CC=C2 MCULE-9920252400 [0,0,1,0,0,1|0,0,0]=2 97 B20R2.79822 CNCC[C@H](OC1=CC=CC=C1C)C2=CC=CC=C2 MCULE-8923990798 [0,0,1,0,0,1|0,0,0]=2 98 B20R2.79822 CNCC[C@H](OC1=CC=CC=C1C)C2=CC=CC=C2 MCULE-9478439920 [0,0,1,0,0,1|0,0,0]=2 99 B20R2.79822 CNCC[C@H](OC1=CC=CC=C1C)C2=CC=CC=C2 MCULE-9723629682 [0,0,1,0,0,1|0,0,0]=2 100 B20R2.79822 CNCC[C@H](OC1=CC=CC=C1C)C2=CC=CC=C2 MCULE-9735037717 [0,0,1,0,0,1|0,0,0]=2 101 B20R2.4238 CCC(O)CC(NC1=CC=CC=C1)C2=CC=CC=C2 MCULE-9508199775 [0,0,1,0,0,1|2,0,0]=4 102 B20R3.413 CC1CC(C2=CC=CC=C2N1)NC3=CC=CC=C3 MCULE-6807375177 [1,0,0,0,0,1|1,0,0]=3 103 B20R3.413 CC1C[C@H](C2=C(N1)C=CC=C2)NC3=CC=CC=C3 MCULE-2984901984 [1,0,0,0,0,1|1,0,0]=3 104 B20R3.413 [C@@H]1(C[C@H](NC2=C1C=CC=C2)C)NC3=CC=CC=C3 MCULE-2211415289 [1,0,0,0,0,1|1,0,0]=3 105 B20R3.413 [C@H]1(C[C@H](C2=C(N1)C=CC=C2)NC3=CC=CC=C3)C MCULE-6375266991 [1,0,0,0,0,1|1,0,0]=3 106 B20R3.23543 CN[C@@H]1CC[C@@H](C2=CC=CC=C12)C3=CC=CC=C3 MCULE-6926856315 [0,0,0,0,1,1|0,0,0]=2