0 B12R2.252 CC(=O)C1=CC2=C(N1)C=CS2 MCULE-7178568906 [0,0,0,0,0,0|2,0,0]=2 1 B12R2.252 CC(=O)C1=CC2=C(S1)C=CS2 MCULE-1597322896 [0,0,0,0,0,0|3,0,0]=3 2 B12R2.252 NC(=O)C1=CC2=C(N1)C=CS2 MCULE-7206766276 [0,0,0,0,0,0|2,0,0]=2 3 B12R2.252 NC(=O)C1=CC2=C(S1)C=CS2 MCULE-4360205396 [0,0,0,0,0,0|3,0,0]=3 4 B12R2.252 O=C(O)C1=CC2=C(N1)C=CO2 MCULE-4890412119 [0,0,0,0,0,0|1,1,0]=2 5 B12R2.252 O=C(O)C1=CC2=C(N1)C=CS2 MCULE-2564302171 [0,0,0,0,0,0|1,0,0]=1 6 B12R2.252 O=C(O)C1=CC2=C(N1)CCC2 MCULE-7701235150 [0,0,0,0,0,0|2,0,1]=3 7 B12R2.252 O=C(O)C1=CC2=C(N1)N=CS2 MCULE-2978831614 [0,0,0,0,0,0|0,0,0]=0 8 B12R2.252 O=C(O)C1=CC2=C(N1)SC=C2 MCULE-1244115319 [0,0,0,0,0,0|2,0,0]=2 9 B12R2.252 O=C(O)C1=CC2=C(N1)SC=N2 MCULE-2551451080 [0,0,0,0,0,0|2,0,0]=2 10 B12R2.252 O=C(O)C1=CC2=C(O1)C=CN2 MCULE-8303697888 [0,0,0,0,0,0|3,0,0]=3 11 B12R2.252 O=C(O)C1=CC2=C(S1)C=CN2 MCULE-4645433743 [0,0,0,0,0,0|3,0,0]=3 12 B12R2.252 O=C(O)C1=CC2=C(S1)C=CO2 MCULE-5896832706 [0,0,0,0,0,0|2,1,0]=3 13 B12R2.252 O=C(O)C1=CC2=C(S1)C=CS2 MCULE-9074494739 [0,0,0,0,0,0|2,0,0]=2 14 B12R2.252 O=C(O)C1=CC2=C(S1)C=NN2 MCULE-3605222871 [0,0,0,0,0,0|4,0,0]=4 15 B12R2.252 O=C(O)C1=CC2=C(S1)CCC2 MCULE-9111637987 [0,0,0,0,0,0|3,0,1]=4 16 B12R2.252 O=C(O)C1=CC2=C(S1)CSC2 MCULE-4734801580 [0,0,0,0,0,0|4,0,0]=4 17 B12R2.252 O=C(O)C1=CC2=C(S1)NN=C2 MCULE-6737350169 [0,0,0,0,0,0|3,0,1]=4 18 B12R2.252 O=C(O)C1=CC2=C(S1)OC=C2 MCULE-4704847988 [0,0,0,0,0,0|3,0,0]=3 19 B12R2.252 O=C(O)C1=CC2=C(S1)SC=C2 MCULE-6523251244 [0,0,0,0,0,0|3,0,0]=3 20 B12R2.252 O=C(O)C1=CC2=C([Se]1)C=CS2 MCULE-1870487907 [0,0,0,0,0,0|2,0,0]=2 21 B12R2.252 O=C(O)C1=CC2=CSC=C2S1 MCULE-5338439724 [0,0,0,0,0,0|4,0,0]=4 22 B12R2.252 O=C(O)C1=CN2C=CN=C2S1 MCULE-9060096901 [0,0,0,0,0,0|3,0,0]=3 23 B12R2.252 O=C(O)C1=CN2C=CSC2=C1 MCULE-7617742905 [0,0,0,0,0,0|3,0,0]=3 24 B12R2.252 O=C(O)C1=CN2C=CSC2=N1 MCULE-7782311850 [0,0,0,0,0,0|3,0,1]=4 25 B12R2.252 O=C(O)C1=CN2C=CSC2=N1 MCULE-8823521881 [0,0,0,0,0,0|3,0,1]=4 26 B12R2.252 O=C(O)C1=CN2NC=CC2=N1 MCULE-7865449729 [0,0,0,0,0,0|3,0,1]=4 27 B12R2.252 O=C(O)C1=CN2OC=CC2=N1 MCULE-8188807974 [0,0,0,0,0,0|2,1,1]=4 28 B12R2.252 O=C(O)C1=NN2CCSC2=C1 MCULE-4044120519 [0,0,0,0,0,0|2,0,2]=4 29 B12R2.252 O=C(O)C1CC2=C(C1)SC=C2 MCULE-3558781460 [0,0,0,0,0,0|2,0,2]=4 30 B12R2.252 OB(O)C1=CC2=C(S1)C=CS2 MCULE-3215863537 [0,0,0,0,0,0|3,0,1]=4 31 B11R2.15 O=CC1=CC2=C(N1)C=CS2 MCULE-6003695539 [1,0,0,0,0,0|1,0,0]=2 32 B11R2.15 O=CC1=CC2=C(N1)SC=C2 MCULE-2868393312 [1,0,0,0,0,0|2,0,0]=3 33 B11R2.15 O=CC1=CC2=C(S1)C=CS2 MCULE-8953604212 [1,0,0,0,0,0|2,0,0]=3 34 B11R2.15 O=CC1=CN2C=CN=C2S1 MCULE-5757157017 [1,0,0,0,0,0|3,0,0]=4 35 B11R2.15 OCC1=CC2=C(N1)SC=C2 MCULE-2936364125 [1,0,0,0,0,0|2,0,1]=4 36 B11R2.15 OCC1=CC2=C(S1)C=CS2 MCULE-2917111016 [1,0,0,0,0,0|2,0,1]=4 37 B13R2.400 CC1=CC2=C(O1)C=C(N2)C(=O)O MCULE-6909762807 [0,1,0,0,0,0|1,1,0]=3 38 B13R2.400 CC1=CC2=C(S1)C=C(N2)C(=O)O MCULE-3896964575 [0,1,0,0,0,0|1,0,0]=2 39 B13R2.400 CC1=CC2=C(S1)C=C(S2)C(=O)O MCULE-7783159115 [0,1,0,0,0,0|2,0,0]=3 40 B13R2.400 CC1=CN2C=C(SC2=N1)C(=O)O MCULE-2456354818 [0,1,0,0,0,0|3,0,0]=4 41 B13R2.400 CC1=NC2=C(S1)NC(=C2)C(=O)O MCULE-3870601122 [0,1,0,0,0,0|2,0,0]=3 42 B13R2.400 CC1=NN2C=C(N=C2S1)C(=O)O MCULE-1364441869 [0,1,0,0,0,0|3,0,0]=4 43 B13R2.400 O=C(O)C1=CC2=C(N1)C=C(O2)Br MCULE-3538115139 [0,1,0,0,0,0|1,1,0]=3 44 B13R2.400 O=C(O)C1=CC2=C(N1)C=C(O2)Cl MCULE-4360923900 [0,1,0,0,0,0|1,1,0]=3 45 B13R2.400 O=C(O)C1=CC2=C(N1)C=C(O2)F MCULE-6226992781 [0,1,0,0,0,0|1,1,0]=3 46 B13R2.400 O=C(O)C1=CC2=C(N1)C=C(S2)Br MCULE-4073480429 [0,1,0,0,0,0|1,0,0]=2 47 B13R2.400 O=C(O)C1=CC2=C(N1)C=C(S2)Cl MCULE-2499460773 [0,1,0,0,0,0|1,0,0]=2 48 B13R2.400 O=C(O)C1=CC2=C(N1)SC(=C2)Br MCULE-2970403676 [0,1,0,0,0,0|2,0,0]=3 49 B13R2.400 O=C(O)C1=CC2=C(N1)SC(=C2)Cl MCULE-6042114843 [0,1,0,0,0,0|2,0,0]=3 50 B13R2.400 O=C(O)C1=CC2=C(N1)SC(=N2)Br MCULE-1323269307 [0,1,0,0,0,0|2,0,0]=3 51 B13R2.400 O=C(O)C1=CC2=C(S1)C=C(S2)Br MCULE-2362252563 [0,1,0,0,0,0|2,0,0]=3 52 B13R2.400 O=C(O)C1=CC2=C(S1)C=C(S2)Cl MCULE-2276671600 [0,1,0,0,0,0|2,0,0]=3 53 B13R2.400 O=C(O)C1=CC2=C(S1)C=C(S2)F MCULE-7650569798 [0,1,0,0,0,0|2,0,0]=3 54 B13R2.400 O=C(O)C1=CC2=C(S1)SC(=C2)Cl MCULE-9690873103 [0,1,0,0,0,0|3,0,0]=4 55 B13R2.400 O=C(O)C1=CN2N=C(SC2=N1)Br MCULE-1991987182 [0,1,0,0,0,0|3,0,0]=4 56 B13R2.400 O=C(O)C1=CN2N=C(SC2=N1)Br MCULE-6730917655 [0,1,0,0,0,0|3,0,0]=4 57 B13R2.531 COC(=O)C1=CC2=C(N1)C=CO2 MCULE-5220620705 [0,1,0,0,0,0|1,1,0]=3 58 B13R2.531 COC(=O)C1=CC2=C(N1)C=CS2 MCULE-2308710588 [0,1,0,0,0,0|1,0,0]=2 59 B13R2.531 COC(=O)C1=CC2=C(N1)OC=C2 MCULE-9339511487 [0,1,0,0,0,0|2,0,0]=3 60 B13R2.531 COC(=O)C1=CC2=C(N1)SC=C2 MCULE-1429020356 [0,1,0,0,0,0|2,0,0]=3 61 B13R2.531 COC(=O)C1=CC2=C(S1)C=CS2 MCULE-9169414051 [0,1,0,0,0,0|2,0,0]=3 62 B13R2.531 COC(=O)C1=CC2=C(S1)N=CS2 MCULE-7314846569 [0,1,0,0,0,0|1,0,0]=2 63 B13R2.531 COC(=O)C1=CC2=C([Se]1)C=CS2 MCULE-2470676872 [0,1,0,0,0,0|2,0,0]=3 64 B13R2.531 NNC(=O)C1=CC2=C(N1)C=CO2 MCULE-5027388217 [0,1,0,0,0,0|2,1,0]=4 65 B13R2.531 NNC(=O)C1=CC2=C(N1)C=CS2 MCULE-5728178008 [0,1,0,0,0,0|2,0,0]=3 66 B13R2.531 NNC(=O)C1=CC2=C(S1)C=CS2 MCULE-9557764664 [0,1,0,0,0,0|3,0,0]=4 67 B13R2.2334 CC1=C(NC2=C1OC=C2)C(=O)O MCULE-8407091180 [0,1,0,0,0,0|1,1,0]=3 68 B13R2.2334 CC1=C(NC2=C1SC=C2)C(=O)O MCULE-4914182786 [0,1,0,0,0,0|1,0,0]=2 69 B13R2.2334 CC1=C(SC2=C1SN=N2)C(=O)O MCULE-2403949799 [0,1,0,0,0,0|2,0,0]=3 70 B13R2.2334 CC1=C(SC2=NC=CN12)C(=O)O MCULE-6681053038 [0,1,0,0,0,0|3,0,0]=4 71 B13R2.2334 CN1C(=CC2=C1C=CO2)C(=O)O MCULE-3636714262 [0,1,0,0,0,0|1,1,0]=3 72 B13R2.2334 CN1C(=CC2=C1C=CS2)C(=O)O MCULE-8913935769 [0,1,0,0,0,0|1,0,0]=2 73 B13R2.2334 CN1C(=CC2=C1N=CS2)C(=O)O MCULE-6238965806 [0,1,0,0,0,0|0,0,0]=1 74 B13R2.2334 CN1C(=CC2=C1SC=C2)C(=O)O MCULE-3860806635 [0,1,0,0,0,0|2,0,0]=3 75 B13R2.2334 O=C(O)C1=C(C2=C(N1)C=CO2)Br MCULE-8989766222 [0,1,0,0,0,0|1,1,0]=3 76 B13R2.2334 O=C(O)C1=C(C2=C(N1)C=CO2)F MCULE-1753385546 [0,1,0,0,0,0|1,1,0]=3 77 B13R2.2334 O=C(O)C1=C(C2=C(N1)SC=C2)F MCULE-6503071023 [0,1,0,0,0,0|2,0,0]=3 78 B13R2.2334 O=C(O)C1=C(C2=C(S1)C=CO2)Cl MCULE-8418002954 [0,1,0,0,0,0|2,1,0]=4 79 B13R2.2334 O=C(O)C1=C(C2=C(S1)SC=C2)Cl MCULE-8233136896 [0,1,0,0,0,0|3,0,0]=4 80 B13R2.3678 CC1=C2C=C(SC2=NS1)C(=O)O MCULE-3677562686 [0,1,0,0,0,0|3,0,0]=4 81 B13R2.3678 CC1=COC2=C1NC(=C2)C(=O)O MCULE-4506914380 [0,1,0,0,0,0|1,1,0]=3 82 B13R2.3678 CC1=CSC2=C1NC(=C2)C(=O)O MCULE-7490932911 [0,1,0,0,0,0|1,0,0]=2 83 B13R2.3678 CN1C=CC2=C1C=C(N2)C(=O)O MCULE-2415713229 [0,1,0,0,0,0|2,0,0]=3 84 B13R2.3678 O=C(O)C1=CC2=C(N1)C(=CO2)Br MCULE-8295449174 [0,1,0,0,0,0|1,1,0]=3 85 B13R2.3678 O=C(O)C1=CC2=C(N1)C(=CO2)F MCULE-5618960826 [0,1,0,0,0,0|1,1,0]=3 86 B13R2.3678 O=C(O)C1=CC2=C(N1)C(=CS2)Br MCULE-2535123020 [0,1,0,0,0,0|1,0,0]=2 87 B13R2.3678 O=C(O)C1=CC2=C(N1)C(=CS2)Cl MCULE-9827381333 [0,1,0,0,0,0|1,0,0]=2 88 B13R2.3678 O=C(O)C1=CC2=C(N1)C(=CS2)F MCULE-1297797905 [0,1,0,0,0,0|1,0,0]=2 89 B13R2.3678 O=C(O)C1=CC2=C(N1)CCC2=O MCULE-5212407896 [0,1,0,0,0,0|2,0,1]=4 90 B13R2.3678 O=C(O)C1=CC2=C(N1)SC=C2Br MCULE-1660593886 [0,1,0,0,0,0|2,0,0]=3 91 B13R2.3678 O=C(O)C1=CC2=C(N1)SC=C2F MCULE-8296182568 [0,1,0,0,0,0|2,0,0]=3 92 B13R2.3678 O=C(O)C1=CC2=C(S1)C(=CS2)Br MCULE-6724548943 [0,1,0,0,0,0|2,0,0]=3 93 B13R2.3678 O=C(O)C1=CN2C(=CN=C2S1)Br MCULE-6282961484 [0,1,0,0,0,0|3,0,0]=4 94 B11R1.35 CC(=CC1=CC=CO1)C(=O)O MCULE-2925151764 [0,0,1,0,0,0|2,1,0]=4 95 B11R1.35 CC(=CC1=CC=CS1)C(=O)O MCULE-9297953193 [0,0,1,0,0,0|2,0,0]=3 96 B11R1.35 C[C@H](NC1=CSC=C1)C(=O)O MCULE-2855153207 [0,0,1,0,0,0|1,0,2]=4 97 B11R1.35 C[C@H](NC1=CSC=N1)C(=O)O MCULE-5434211661 [0,0,1,0,0,0|0,0,2]=3 98 B11R1.35 NC(CC1=CC=CS1)C(=O)O MCULE-3785172886 [0,0,1,0,0,0|1,0,2]=4 99 B11R1.35 NC(CC1=CC=CS1)C(=O)O MCULE-8923550765 [0,0,1,0,0,0|1,0,2]=4 100 B11R1.35 NC(CC1=CN=CN1)C(=O)O MCULE-2221977105 [0,0,1,0,0,0|1,0,2]=4 101 B11R1.35 NC(CC1=CN=CN1)C(=O)O MCULE-4252889481 [0,0,1,0,0,0|1,0,2]=4 102 B11R1.35 NC(CC1=CN=CS1)C(=O)O MCULE-3561723067 [0,0,1,0,0,0|0,0,2]=3 103 B11R1.35 NC(CC1=CN=CS1)C(=O)O MCULE-7849285080 [0,0,1,0,0,0|0,0,2]=3 104 B11R1.35 NC(CC1=CN=CS1)C(=O)O MCULE-8240594688 [0,0,1,0,0,0|0,0,2]=3 105 B11R1.35 NC(CC1=CSC=N1)C(=O)O MCULE-2390356050 [0,0,1,0,0,0|2,0,1]=4 106 B11R1.35 NC(CC1=CSC=N1)C(=O)O MCULE-6340376441 [0,0,1,0,0,0|2,0,1]=4 107 B11R1.35 NC(CC1=CSC=N1)C(=O)O MCULE-7084475028 [0,0,1,0,0,0|2,0,1]=4 108 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O MCULE-3425714606 [0,0,1,0,0,0|1,0,2]=4 109 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O MCULE-7666246740 [0,0,1,0,0,0|1,0,2]=4 110 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O MCULE-8908733986 [0,0,1,0,0,0|1,0,2]=4 111 B11R1.35 N[C@@H](CC1=CN=CN1)C(=O)O MCULE-2087791673 [0,0,1,0,0,0|1,0,2]=4 112 B11R1.35 N[C@@H](CC1=CSC=N1)C(=O)O MCULE-2668036247 [0,0,1,0,0,0|2,0,1]=4 113 B11R1.35 N[C@@H](CC1=CSC=N1)C(=O)O MCULE-5714524091 [0,0,1,0,0,0|2,0,1]=4 114 B11R1.35 N[C@H](CC1=CC=CS1)C(=O)O MCULE-6753547229 [0,0,1,0,0,0|1,0,2]=4 115 B11R1.35 N[C@H](CC1=CC=CS1)C(=O)O MCULE-9975284076 [0,0,1,0,0,0|1,0,2]=4 116 B11R1.35 N[C@H](CC1=CN=CS1)C(=O)O MCULE-8243476757 [0,0,1,0,0,0|0,0,2]=3 117 B11R1.35 N[C@H](CC1=CSC=N1)C(=O)O MCULE-1425018039 [0,0,1,0,0,0|2,0,1]=4 118 B11R1.35 N[C@H](CC1=CSC=N1)C(=O)O MCULE-9292185704 [0,0,1,0,0,0|2,0,1]=4 119 B11R1.35 O=C(O)C(=CC1=CC=CO1)S MCULE-7963054894 [0,0,1,0,0,0|2,1,0]=4 120 B11R1.35 O=C(O)C(=O)CC1=CC=CS1 MCULE-8806340356 [0,0,1,0,0,0|2,0,1]=4 121 B11R1.35 O=C(O)C(=O)CC1=CNC=N1 MCULE-3580978419 [0,0,1,0,0,0|3,0,0]=4 122 B11R1.35 O=C(O)C(=O)NC1=NC=CS1 MCULE-9439892070 [0,0,1,0,0,0|3,0,0]=4 123 B11R1.35 O=C(O)C(=O)NC1=NN=CS1 MCULE-7243428267 [0,0,1,0,0,0|3,0,0]=4 124 B11R1.48 CC1=C(C=C(N1)C(=O)O)C#N MCULE-1644199773 [0,0,1,0,0,0|3,0,0]=4 125 B11R1.48 CC1=C(NC(=C1)C(=O)O)C=O MCULE-6281707750 [0,0,1,0,0,0|3,0,0]=4 126 B11R1.48 CSC1=C(OC(=C1)C(=O)O)C MCULE-8828274154 [0,0,1,0,0,0|2,0,1]=4 127 B11R1.90 CC1=C(C=CO1)/C=C/C(=O)O MCULE-6630063140 [0,0,1,0,0,0|3,0,0]=4 128 B11R1.90 CC1=C(C=CO1)C=CC(=O)O MCULE-1016825019 [0,0,1,0,0,0|3,0,0]=4 129 B11R1.90 CC1=C(NC=N1)/C=C/C(=O)O MCULE-9497599005 [0,0,1,0,0,0|2,0,0]=3 130 B11R1.90 CC1=C(SC=C1)/C=C/C(=O)O MCULE-7874369652 [0,0,1,0,0,0|2,0,0]=3 131 B11R1.90 CC1=C(SC=C1)C=CC(=O)O MCULE-5468660790 [0,0,1,0,0,0|2,0,0]=3 132 B11R1.90 CC1=C(SC=N1)CCC(=O)O MCULE-5922966332 [0,0,1,0,0,0|1,0,2]=4 133 B11R1.90 CN1N=CC=C1/C=C/C(=O)O MCULE-8102308433 [0,0,1,0,0,0|3,0,0]=4 134 B11R1.90 CN1N=CC=C1C=CC(=O)O MCULE-5235441977 [0,0,1,0,0,0|3,0,0]=4 135 B11R1.124 CCCC1=CC=C(N1)C(=O)O MCULE-5328036626 [0,0,1,0,0,0|2,0,1]=4 136 B11R1.124 CCCC1=CNC(=C1)C(=O)O MCULE-2747845005 [0,0,1,0,0,0|2,0,1]=4 137 B11R1.124 COCC1=CC=C(N1)C(=O)O MCULE-5536653369 [0,0,1,0,0,0|3,0,0]=4 138 B11R1.124 COCC1=CNC(=C1)C(=O)O MCULE-7275566840 [0,0,1,0,0,0|3,0,0]=4 139 B11R1.124 N#CCC1=CNC(=C1)C(=O)O MCULE-4710857040 [0,0,1,0,0,0|1,0,2]=4 140 B13R2.430 CC(=O)C1=CC2=C(C=C1)N=CS2 MCULE-5466811989 [0,0,0,0,0,1|2,0,0]=3 141 B13R2.430 CC(=O)C1=CC2=C(C=C1)NC=N2 MCULE-6567659793 [0,0,0,0,0,1|3,0,0]=4 142 B13R2.430 CC(=O)C1=CC2=C(C=C1)SC=C2 MCULE-7044226640 [0,0,0,0,0,1|3,0,0]=4 143 B13R2.430 CC(=O)C1=CC2=C(C=C1)SC=N2 MCULE-8482047604 [0,0,0,0,0,1|2,0,0]=3 144 B13R2.430 CC(=O)C1=CC2=C(C=CS2)C=C1 MCULE-8574844102 [0,0,0,0,0,1|3,0,0]=4 145 B13R2.430 CC(=O)C1=CC2=C(C=CS2)N=C1 MCULE-3093448381 [0,0,0,0,0,1|2,0,1]=4 146 B13R2.430 CC(=O)C1=CC=C2OC=NC2=C1 MCULE-5487961273 [0,0,0,0,0,1|2,1,0]=4 147 B13R2.430 CC(=O)C1=CN=C2NC=NC2=N1 MCULE-3079135372 [0,0,0,0,0,1|2,0,1]=4 148 B13R2.430 CC(=O)C1=CN=C2SC=CC2=C1 MCULE-6347579687 [0,0,0,0,0,1|3,0,0]=4 149 B13R2.430 NC(=O)C1=CC2=C(C=C1)NC=N2 MCULE-9328613043 [0,0,0,0,0,1|3,0,0]=4 150 B13R2.430 NC(=O)C1=CC2=C(C=C1)SC=N2 MCULE-4464795847 [0,0,0,0,0,1|2,0,0]=3 151 B13R2.430 NC(=O)C1=CC=C2N=CSC2=C1 MCULE-6321191672 [0,0,0,0,0,1|2,0,0]=3 152 B13R2.430 NC(=O)C1=CC=C2SN=NC2=C1 MCULE-5196077271 [0,0,0,0,0,1|3,0,0]=4 153 B13R2.430 O=C(Cl)C1=CC2=C(C=C1)SN=N2 MCULE-4468926753 [0,0,0,0,0,1|3,0,0]=4 154 B13R2.430 O=C(Cl)C1=CC=C2N=CSC2=C1 MCULE-7531367925 [0,0,0,0,0,1|2,0,0]=3 155 B13R2.430 O=C(Cl)C1=CC=C2NC=NC2=C1 MCULE-7373828022 [0,0,0,0,0,1|3,0,0]=4 156 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CO2 MCULE-6197882218 [0,0,0,0,0,1|1,1,0]=3 157 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CS2 MCULE-8142958657 [0,0,0,0,0,1|1,0,0]=2 158 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=NN2 MCULE-3977644681 [0,0,0,0,0,1|3,0,0]=4 159 B13R2.430 O=C(O)C1=CC2=C(C=C1)NC=C2 MCULE-5875048650 [0,0,0,0,0,1|2,0,1]=4 160 B13R2.430 O=C(O)C1=CC2=C(C=C1)NC=N2 MCULE-1266805897 [0,0,0,0,0,1|2,0,0]=3 161 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=C2 MCULE-6009008650 [0,0,0,0,0,1|2,1,0]=4 162 B13R2.430 O=C(O)C1=CC2=C(C=C1)SC=C2 MCULE-6666164011 [0,0,0,0,0,1|2,0,0]=3 163 B13R2.430 O=C(O)C1=CC2=C(C=C1)SC=N2 MCULE-6679341920 [0,0,0,0,0,1|1,0,0]=2 164 B13R2.430 O=C(O)C1=CC2=C(C=C1)SN=N2 MCULE-1025843095 [0,0,0,0,0,1|2,0,0]=3 165 B13R2.430 O=C(O)C1=CC2=C(C=CN2)C=C1 MCULE-3670701433 [0,0,0,0,0,1|2,0,1]=4 166 B13R2.430 O=C(O)C1=CC2=C(C=CO2)C=C1 MCULE-1153206593 [0,0,0,0,0,1|2,1,0]=4 167 B13R2.430 O=C(O)C1=CC2=C(C=CS2)C=C1 MCULE-9241721231 [0,0,0,0,0,1|2,0,0]=3 168 B13R2.430 O=C(O)C1=CC2=C(C=CS2)N=C1 MCULE-9165637801 [0,0,0,0,0,1|1,0,1]=3 169 B13R2.430 O=C(O)C1=CC2=C(C=N1)N=CS2 MCULE-3405304311 [0,0,0,0,0,1|0,0,1]=2 170 B13R2.430 O=C(O)C1=CC2=C(C=N1)NC=C2 MCULE-1157072376 [0,0,0,0,0,1|1,0,2]=4 171 B13R2.430 O=C(O)C1=CC2=C(C=N1)NC=N2 MCULE-9478216743 [0,0,0,0,0,1|2,0,0]=3 172 B13R2.430 O=C(O)C1=CC2=C(C=N1)OC=C2 MCULE-3492284525 [0,0,0,0,0,1|2,0,1]=4 173 B13R2.430 O=C(O)C1=CC2=C(C=N1)OC=C2 MCULE-6757472294 [0,0,0,0,0,1|2,0,1]=4 174 B13R2.430 O=C(O)C1=CC2=C(C=N1)SC=C2 MCULE-9817566023 [0,0,0,0,0,1|2,0,0]=3 175 B13R2.430 O=C(O)C1=CC2=C(N=C1)NN=N2 MCULE-4044711971 [0,0,0,0,0,1|3,0,0]=4 176 B13R2.430 O=C(O)C1=CC2=C(N=C1)SC=C2 MCULE-1810163708 [0,0,0,0,0,1|2,0,0]=3 177 B13R2.430 O=C(O)C1=CC2=C(N=C1)SC=N2 MCULE-4605990312 [0,0,0,0,0,1|1,0,0]=2 178 B13R2.430 O=C(O)C1=CC2=C(N=CO2)N=C1 MCULE-7888026638 [0,0,0,0,0,1|0,1,1]=3 179 B13R2.430 O=C(O)C1=CC2=CC=NC2=CN1 MCULE-7243086031 [0,0,0,0,0,1|1,0,0]=2 180 B13R2.430 O=C(O)C1=CC2=CC=NN2C=C1 MCULE-6542921606 [0,0,0,0,0,1|3,0,0]=4 181 B13R2.430 O=C(O)C1=CC2=CN=NC2=CN1 MCULE-4221061678 [0,0,0,0,0,1|2,0,0]=3 182 B13R2.430 O=C(O)C1=CC2=CSN=C2C=C1 MCULE-9026820265 [0,0,0,0,0,1|3,0,0]=4 183 B13R2.430 O=C(O)C1=CC2=NC=CN2C=C1 MCULE-4425108292 [0,0,0,0,0,1|3,0,0]=4 184 B13R2.430 O=C(O)C1=CC2=NC=CN2C=C1 MCULE-7993209859 [0,0,0,0,0,1|3,0,0]=4 185 B13R2.430 O=C(O)C1=CC2=NC=NC2=CN1 MCULE-8133963583 [0,0,0,0,0,1|1,0,0]=2 186 B13R2.430 O=C(O)C1=CC2=NC=NN2C=C1 MCULE-3892449818 [0,0,0,0,0,1|3,0,0]=4 187 B13R2.430 O=C(O)C1=CC2=NN=CC2=CN1 MCULE-6423521888 [0,0,0,0,0,1|3,0,0]=4 188 B13R2.430 O=C(O)C1=CC2=NON=C2C=C1 MCULE-8251488447 [0,0,0,0,0,1|3,0,0]=4 189 B13R2.430 O=C(O)C1=CC2=NSC=C2C=C1 MCULE-8832097663 [0,0,0,0,0,1|3,0,0]=4 190 B13R2.430 O=C(O)C1=CC2=NSN=C2C=C1 MCULE-7679976332 [0,0,0,0,0,1|3,0,0]=4 191 B13R2.430 O=C(O)C1=CC2=N[Se]N=C2C=C1 MCULE-8599714361 [0,0,0,0,0,1|3,0,0]=4 192 B13R2.430 O=C(O)C1=CC=C2C=COC2=N1 MCULE-1272257286 [0,0,0,0,0,1|2,0,1]=4 193 B13R2.430 O=C(O)C1=CC=C2C=NSC2=C1 MCULE-6472968081 [0,0,0,0,0,1|3,0,0]=4 194 B13R2.430 O=C(O)C1=CC=C2N=CNC2=C1 MCULE-2272420776 [0,0,0,0,0,1|2,0,0]=3 195 B13R2.430 O=C(O)C1=CC=C2N=CSC2=N1 MCULE-1503072620 [0,0,0,0,0,1|2,0,0]=3 196 B13R2.430 O=C(O)C1=CC=C2NC=CC2=N1 MCULE-3800185615 [0,0,0,0,0,1|2,0,1]=4 197 B13R2.430 O=C(O)C1=CC=C2OC=NC2=C1 MCULE-8736492361 [0,0,0,0,0,1|1,1,0]=3 198 B13R2.430 O=C(O)C1=CC=C2SN=CC2=C1 MCULE-6462401190 [0,0,0,0,0,1|3,0,0]=4 199 B13R2.430 O=C(O)C1=CN2C=CC=C2CN1 MCULE-9325668293 [0,0,0,0,0,1|3,0,0]=4 200 B13R2.430 O=C(O)C1=CN2C=CN=C2C=C1 MCULE-3916180531 [0,0,0,0,0,1|3,0,0]=4 201 B13R2.430 O=C(O)C1=CN2C=CN=C2C=C1 MCULE-7321434029 [0,0,0,0,0,1|3,0,0]=4 202 B13R2.430 O=C(O)C1=CN2C=CN=C2C=N1 MCULE-5523314343 [0,0,0,0,0,1|2,0,1]=4 203 B13R2.430 O=C(O)C1=CN2C=CN=C2N=C1 MCULE-1128033616 [0,0,0,0,0,1|2,0,1]=4 204 B13R2.430 O=C(O)C1=CN2N=CC=C2C=C1 MCULE-8816242767 [0,0,0,0,0,1|3,0,0]=4 205 B13R2.430 O=C(O)C1=CN2N=CC=C2N=C1 MCULE-7066207237 [0,0,0,0,0,1|3,0,0]=4 206 B13R2.430 O=C(O)C1=CN2N=CN=C2C=C1 MCULE-4902316217 [0,0,0,0,0,1|3,0,0]=4 207 B13R2.430 O=C(O)C1=CN=C2C=CNC2=C1 MCULE-5111894371 [0,0,0,0,0,1|2,0,1]=4 208 B13R2.430 O=C(O)C1=CN=C2C=CNC2=N1 MCULE-8576999800 [0,0,0,0,0,1|1,0,2]=4 209 B13R2.430 O=C(O)C1=CN=C2C=COC2=C1 MCULE-4569430905 [0,0,0,0,0,1|1,1,1]=4 210 B13R2.430 O=C(O)C1=CN=C2N=CSC2=C1 MCULE-6952020413 [0,0,0,0,0,1|0,0,1]=2 211 B13R2.430 O=C(O)C1=CN=C2OC=CC2=C1 MCULE-8209222979 [0,0,0,0,0,1|2,0,1]=4 212 B13R2.430 O=C(O)C1=CN=C2SN=NC2=C1 MCULE-8175906524 [0,0,0,0,0,1|2,0,0]=3 213 B13R2.430 O=C(O)C1=CNC2=CC=NC2=C1 MCULE-6493152367 [0,0,0,0,0,1|2,0,0]=3 214 B13R2.430 O=C(O)C1=CNC2=CN=NC2=C1 MCULE-9376215151 [0,0,0,0,0,1|3,0,0]=4 215 B13R2.430 O=C(O)C1=CNC2=NC=CC2=C1 MCULE-9947817783 [0,0,0,0,0,1|1,0,0]=2 216 B13R2.430 O=C(O)C1=CNC2=NC=NC2=C1 MCULE-7956892653 [0,0,0,0,0,1|1,0,0]=2 217 B13R2.430 O=C(O)C1=NC2=C(C=C1)N=CN2 MCULE-3452421744 [0,0,0,0,0,1|1,0,2]=4 218 B13R2.430 O=C(O)C1=NC2=C(C=C1)NN=N2 MCULE-4701313191 [0,0,0,0,0,1|2,0,1]=4 219 B13R2.430 O=C(O)C1=NC2=C(C=C1)OC=C2 MCULE-1093927518 [0,0,0,0,0,1|1,1,1]=4 220 B13R2.430 O=C(O)C1=NC2=C(C=C1)OC=N2 MCULE-6167170262 [0,0,0,0,0,1|0,1,1]=3 221 B13R2.430 O=C(O)C1=NC2=C(C=C1)SC=C2 MCULE-2194256088 [0,0,0,0,0,1|1,0,1]=3 222 B13R2.430 O=C(O)C1=NC2=C(C=C1)[Se]C=C2 MCULE-1853479005 [0,0,0,0,0,1|1,1,1]=4 223 B13R2.430 O=C(O)C1=NC2=C(C=CN2)C=C1 MCULE-6154165286 [0,0,0,0,0,1|1,0,2]=4 224 B13R2.430 O=C(O)C1=NC2=C(N=C1)NC=C2 MCULE-1059560608 [0,0,0,0,0,1|2,0,1]=4 225 B13R2.430 O=C(O)C1=NC=C2C=CNC2=C1 MCULE-7539710640 [0,0,0,0,0,1|2,0,1]=4 226 B13R2.430 O=C(O)C1=NC=C2C=CNC2=N1 MCULE-6458268347 [0,0,0,0,0,1|1,0,2]=4 227 B13R2.430 O=C(O)C1=NC=C2C=CSC2=C1 MCULE-1686503949 [0,0,0,0,0,1|1,0,1]=3 228 B13R2.430 O=C(O)C1CC2=C(CN1)N=CN2 MCULE-2303743467 [0,0,0,0,0,1|1,0,2]=4 229 B13R2.430 O=N(=O)C1=CC2=C(C=C1)N=CS2 MCULE-1981666104 [0,0,0,0,0,1|2,0,1]=4 230 B13R2.430 O=N(=O)C1=CC=C2SC=NC2=C1 MCULE-7104113297 [0,0,0,0,0,1|2,0,1]=4 231 B13R2.430 OB(O)C1=CC=C2N=CSC2=C1 MCULE-5592748471 [0,0,0,0,0,1|2,0,1]=4 232 B13R2.430 [C@H]1(CC2=C(CN1)N=CN2)C(=O)O MCULE-3762251751 [0,0,0,0,0,1|1,0,2]=4 233 B13R2.435 CC(=O)C1=CC2=C(S1)C=NC=C2 MCULE-4402332272 [0,0,0,0,0,1|3,0,0]=4 234 B13R2.435 CC(=O)C1=CC2=CC=CC=C2N1 MCULE-7713612036 [0,0,0,0,0,1|3,0,0]=4 235 B13R2.435 CC(=O)C1=CC2=CC=CN=C2S1 MCULE-7306264727 [0,0,0,0,0,1|3,0,0]=4 236 B13R2.435 N1C(=CC2=CC=CN=C21)B(O)O MCULE-7990969469 [0,0,0,0,0,1|2,0,1]=4 237 B13R2.435 NC(=O)C1=CC2=C(N1)C=CC=C2 MCULE-1991794392 [0,0,0,0,0,1|3,0,0]=4 238 B13R2.435 NC(=O)C1=CC2=C(N1)C=CN=C2 MCULE-5504087703 [0,0,0,0,0,1|3,0,0]=4 239 B13R2.435 NC(=O)C1=CC2=CC=CN=C2N1 MCULE-2398947050 [0,0,0,0,0,1|2,0,0]=3 240 B13R2.435 NC(=O)C1=CC2=CC=CN=C2S1 MCULE-7099904367 [0,0,0,0,0,1|3,0,0]=4 241 B13R2.435 O=C(Cl)C1=CC2=CC=CC=C2N1 MCULE-1112741466 [0,0,0,0,0,1|3,0,0]=4 242 B13R2.435 O=C(Cl)C1=CC2=CC=CN=C2S1 MCULE-8588538809 [0,0,0,0,0,1|3,0,0]=4 243 B13R2.435 O=C(Cl)C1=CC2=CC=CN=C2S1 MCULE-9231850612 [0,0,0,0,0,1|3,0,0]=4 244 B13R2.435 O=C(O)C1=CC2=C(C1)C=CC=C2 MCULE-2006282606 [0,0,0,0,0,1|3,0,0]=4 245 B13R2.435 O=C(O)C1=CC2=C(N1)C=CC=C2 MCULE-2072698467 [0,0,0,0,0,1|2,0,0]=3 246 B13R2.435 O=C(O)C1=CC2=C(N1)C=CC=N2 MCULE-7749752991 [0,0,0,0,0,1|2,0,0]=3 247 B13R2.435 O=C(O)C1=CC2=C(N1)C=CN=C2 MCULE-2157960265 [0,0,0,0,0,1|2,0,0]=3 248 B13R2.435 O=C(O)C1=CC2=C(N1)C=NC=C2 MCULE-3244427248 [0,0,0,0,0,1|1,0,0]=2 249 B13R2.435 O=C(O)C1=CC2=C(N1)CCCC2 MCULE-7183035703 [0,0,0,0,0,1|2,0,1]=4 250 B13R2.435 O=C(O)C1=CC2=C(N1)N=CC=C2 MCULE-2740115554 [0,0,0,0,0,1|1,0,0]=2 251 B13R2.435 O=C(O)C1=CC2=C(N1)N=CC=C2 MCULE-9038992224 [0,0,0,0,0,1|1,0,0]=2 252 B13R2.435 O=C(O)C1=CC2=C(O1)C=CC=C2 MCULE-5646971945 [0,0,0,0,0,1|3,0,0]=4 253 B13R2.435 O=C(O)C1=CC2=C(O1)C=CC=N2 MCULE-7751101211 [0,0,0,0,0,1|3,0,0]=4 254 B13R2.435 O=C(O)C1=CC2=C(O1)C=CC=N2 MCULE-8671592027 [0,0,0,0,0,1|3,0,0]=4 255 B13R2.435 O=C(O)C1=CC2=C(O1)C=CN=C2 MCULE-5718323690 [0,0,0,0,0,1|3,0,0]=4 256 B13R2.435 O=C(O)C1=CC2=C(O1)C=NC=C2 MCULE-4730892371 [0,0,0,0,0,1|2,0,0]=3 257 B13R2.435 O=C(O)C1=CC2=C(S1)C=CC=C2 MCULE-6165149428 [0,0,0,0,0,1|3,0,0]=4 258 B13R2.435 O=C(O)C1=CC2=C(S1)C=CC=N2 MCULE-8116295878 [0,0,0,0,0,1|3,0,0]=4 259 B13R2.435 O=C(O)C1=CC2=C(S1)C=CN=C2 MCULE-1746735081 [0,0,0,0,0,1|3,0,0]=4 260 B13R2.435 O=C(O)C1=CC2=C(S1)C=NC=C2 MCULE-8160403480 [0,0,0,0,0,1|2,0,0]=3 261 B13R2.435 O=C(O)C1=CC2=C(S1)C=NC=N2 MCULE-9860595859 [0,0,0,0,0,1|2,0,0]=3 262 B13R2.435 O=C(O)C1=CC2=C(S1)CCSC2 MCULE-7434313121 [0,0,0,0,0,1|2,0,1]=4 263 B13R2.435 O=C(O)C1=CC2=C(S1)N=CC=C2 MCULE-6946990257 [0,0,0,0,0,1|2,0,0]=3 264 B13R2.435 O=C(O)C1=CC2=C(S1)N=CC=N2 MCULE-8494038325 [0,0,0,0,0,1|2,0,0]=3 265 B13R2.435 O=C(O)C1=CC2=C([Se]1)C=CC=C2 MCULE-8555452372 [0,0,0,0,0,1|3,0,0]=4 266 B13R2.435 O=C(O)C1=CC2=CC=CN=C2O1 MCULE-1574352280 [0,0,0,0,0,1|2,0,0]=3 267 B13R2.435 O=C(O)C1=CC2=CN=CC=C2N1 MCULE-4461016334 [0,0,0,0,0,1|2,0,0]=3 268 B13R2.435 O=C(O)C1=CC2=CN=CN=C2N1 MCULE-9163239041 [0,0,0,0,0,1|1,0,0]=2 269 B13R2.435 O=C(O)C1=CC2=CN=CN=C2S1 MCULE-9974422704 [0,0,0,0,0,1|2,0,0]=3 270 B13R2.435 O=C(O)C1=CC2=CNC=CC2=N1 MCULE-6538440316 [0,0,0,0,0,1|2,0,1]=4 271 B13R2.435 O=C(O)C1=CC2=NC=CN=C2N1 MCULE-7718258152 [0,0,0,0,0,1|1,0,0]=2 272 B13R2.435 O=C(O)C1=CC2=NC=NC=C2N1 MCULE-1468488622 [0,0,0,0,0,1|1,0,0]=2 273 B13R2.435 O=C(O)C1=CN2C=CC=NC2=N1 MCULE-4494373255 [0,0,0,0,0,1|2,0,1]=4 274 B13R2.435 O=C(O)C1=CN2C=CN=CC2=N1 MCULE-8297483522 [0,0,0,0,0,1|2,0,1]=4 275 B13R2.435 O=C(O)C1=CN2N=CC=CC2=C1 MCULE-3454987614 [0,0,0,0,0,1|3,0,0]=4 276 B13R2.435 O=C(O)C1=NC2=C(N1)C=CC=C2 MCULE-1651833296 [0,0,0,0,0,1|3,0,0]=4 277 B13R2.435 O=C(O)C1=NC2=C(N1)C=CN=C2 MCULE-8138625339 [0,0,0,0,0,1|2,0,1]=4 278 B13R2.435 O=C(O)C1=NC2=C(N1)N=CC=C2 MCULE-2144827109 [0,0,0,0,0,1|2,0,0]=3 279 B13R2.435 O=C(O)C1=NC2=C(S1)C=CN=C2 MCULE-1110643666 [0,0,0,0,0,1|2,0,1]=4 280 B13R2.435 O=C(O)C1=NC2=C(S1)C=NC=C2 MCULE-9171103829 [0,0,0,0,0,1|3,0,0]=4 281 B13R2.435 O=C(O)C1=NC2=CC=CC=C2N1 MCULE-7276869954 [0,0,0,0,0,1|3,0,0]=4 282 B13R2.435 O=C(O)C1=NC2=CC=CN=C2N1 MCULE-3446573084 [0,0,0,0,0,1|2,0,0]=3 283 B13R2.435 O=C(O)C1=NC2=CC=CN=C2S1 MCULE-8775436568 [0,0,0,0,0,1|3,0,0]=4 284 B13R2.435 O=C(O)C1=NC2=CC=CNC2=C1 MCULE-2923766862 [0,0,0,0,0,1|2,0,1]=4 285 B13R2.435 O=C(O)C1=NC2=CN=CNC2=C1 MCULE-1632940666 [0,0,0,0,0,1|1,0,1]=3 286 B13R2.435 O=C(O)C1=NC2=CNC=CC2=C1 MCULE-9140148377 [0,0,0,0,0,1|1,0,2]=4 287 B13R2.435 O=C(O)C1=NC2=NC=CC=C2S1 MCULE-3700935773 [0,0,0,0,0,1|2,0,1]=4 288 B13R2.435 O=C(O)C1=NC2=NC=CNC2=C1 MCULE-4471577146 [0,0,0,0,0,1|1,0,1]=3 289 B13R2.435 O=C(O)C1=NN2N=CC=CC2=C1 MCULE-6296961193 [0,0,0,0,0,1|2,0,1]=4 290 B13R2.435 O=C(O)C1CC2=CC=CN=C2N1 MCULE-8537870180 [0,0,0,0,0,1|1,0,2]=4 291 B13R2.435 O=C(O)[C@@H]1CC2=CC=CN=C2N1 MCULE-4315790053 [0,0,0,0,0,1|1,0,2]=4 292 B13R2.435 OB(O)C1=CC2=CC=CN=C2N1 MCULE-9319797026 [0,0,0,0,0,1|2,0,1]=4 293 B10R1.66 CC(=O)/C=C/C1=CC=CS1 MCULE-9668699729 [1,0,1,0,0,0|2,0,0]=4 294 B10R1.66 CC(=O)C=CC1=CC=CS1 MCULE-4792487998 [1,0,1,0,0,0|2,0,0]=4 295 B10R1.66 NC(=O)/C=C/C1=CC=CS1 MCULE-2550089532 [1,0,1,0,0,0|2,0,0]=4 296 B10R1.66 NC(=O)C=CC1=CC=CS1 MCULE-4715280412 [1,0,1,0,0,0|2,0,0]=4 297 B10R1.66 O=C(Cl)/C=C/C1=CC=CS1 MCULE-4325709525 [1,0,1,0,0,0|2,0,0]=4 298 B10R1.66 O=C(Cl)C=CC1=CC=CS1 MCULE-4244086123 [1,0,1,0,0,0|2,0,0]=4 299 B10R1.66 O=C(O)/C=C/C1=CC=CO1 MCULE-1000282553 [1,0,1,0,0,0|1,1,0]=4 300 B10R1.66 O=C(O)/C=C/C1=CC=CS1 MCULE-7724588931 [1,0,1,0,0,0|1,0,0]=3 301 B10R1.66 O=C(O)/C=C/C1=CN=CS1 MCULE-7572472922 [1,0,1,0,0,0|0,0,0]=2 302 B10R1.66 O=C(O)/C=C/C1=CNC=N1 MCULE-6953426192 [1,0,1,0,0,0|1,0,1]=4 303 B10R1.66 O=C(O)/C=C/C1=COC=C1 MCULE-6642700286 [1,0,1,0,0,0|2,0,0]=4 304 B10R1.66 O=C(O)/C=C/C1=CSC=C1 MCULE-1958527580 [1,0,1,0,0,0|2,0,0]=4 305 B10R1.66 O=C(O)/C=C/C1=CSC=N1 MCULE-4774407164 [1,0,1,0,0,0|1,0,0]=3 306 B10R1.66 O=C(O)/C=C/C1=NC=CS1 MCULE-7172278941 [1,0,1,0,0,0|2,0,0]=4 307 B10R1.66 O=C(O)/C=C\C1=CN=CN1 MCULE-7236014213 [1,0,1,0,0,0|1,0,0]=3 308 B10R1.66 O=C(O)C=CC1=CC=CN1 MCULE-5460570885 [1,0,1,0,0,0|2,0,0]=4 309 B10R1.66 O=C(O)C=CC1=CC=CO1 MCULE-8349779970 [1,0,1,0,0,0|1,1,0]=4 310 B10R1.66 O=C(O)C=CC1=CC=CS1 MCULE-8401835373 [1,0,1,0,0,0|1,0,0]=3 311 B10R1.66 O=C(O)C=CC1=CN=CS1 MCULE-7641560153 [1,0,1,0,0,0|0,0,0]=2 312 B10R1.66 O=C(O)C=CC1=CNC=C1 MCULE-6780323683 [1,0,1,0,0,0|1,0,1]=4 313 B10R1.66 O=C(O)C=CC1=CNC=N1 MCULE-7002606160 [1,0,1,0,0,0|1,0,1]=4 314 B10R1.66 O=C(O)C=CC1=CNN=C1 MCULE-7650068377 [1,0,1,0,0,0|2,0,0]=4 315 B10R1.66 O=C(O)C=CC1=COC=C1 MCULE-6318317369 [1,0,1,0,0,0|2,0,0]=4 316 B10R1.66 O=C(O)C=CC1=COC=N1 MCULE-6369646194 [1,0,1,0,0,0|1,1,0]=4 317 B10R1.66 O=C(O)C=CC1=CSC=C1 MCULE-3580115373 [1,0,1,0,0,0|2,0,0]=4 318 B10R1.66 O=C(O)C=CC1=CSC=N1 MCULE-9549510844 [1,0,1,0,0,0|1,0,0]=3 319 B10R1.66 O=C(O)C=CC1=NC=CS1 MCULE-2894674051 [1,0,1,0,0,0|2,0,0]=4 320 B10R1.66 O=C(O)CCC1=CN=CS1 MCULE-2668820713 [1,0,1,0,0,0|0,0,2]=4 321 B10R1.66 O=C(O)CCC1=CN=CS1 MCULE-7272215073 [1,0,1,0,0,0|0,0,2]=4 322 B10R1.66 O=C(O)CCC1=CSC=N1 MCULE-3188158342 [1,0,1,0,0,0|1,0,1]=4 323 B10R1.66 O=C(O)CNC1=CSC=C1 MCULE-7792185653 [1,0,1,0,0,0|1,0,1]=4 324 B10R1.31 C=CC1=CSC(=C1)C(=O)O MCULE-6794566068 [1,0,1,0,0,0|2,0,0]=4 325 B10R1.31 CCC1=CC=C(N1)C(=O)O MCULE-8599786231 [1,0,1,0,0,0|1,0,1]=4 326 B10R1.31 CCC1=CNC(=C1)C(=O)O MCULE-4200710595 [1,0,1,0,0,0|1,0,1]=4 327 B10R1.31 COC1=CNC(=C1)C(=O)O MCULE-9615794664 [1,0,1,0,0,0|0,1,1]=4 328 B10R1.31 CSC1=CNC(=C1)C(=O)O MCULE-1443964625 [1,0,1,0,0,0|0,0,1]=3 329 B10R1.31 N#CC1=CC=C(N1)C(=O)O MCULE-1617530941 [1,0,1,0,0,0|1,0,1]=4 330 B10R1.31 N#CC1=CNC(=C1)C(=O)O MCULE-7765856417 [1,0,1,0,0,0|0,0,2]=4 331 B10R1.31 O=C(O)C1=CC=C(N1)CO MCULE-9473883351 [1,0,1,0,0,0|0,1,1]=4 332 B10R1.31 O=CC1=CC=C(N1)C(=O)O MCULE-8388790868 [1,0,1,0,0,0|0,1,0]=3 333 B10R1.31 O=CC1=CC=C(O1)C(=O)O MCULE-7453822685 [1,0,1,0,0,0|1,1,0]=4 334 B10R1.31 O=CC1=CC=C(S1)C(=O)O MCULE-4297249535 [1,0,1,0,0,0|1,1,0]=4 335 B10R1.31 O=CC1=CNC(=C1)C(=O)O MCULE-5432793271 [1,0,1,0,0,0|1,0,0]=3 336 B10R1.31 O=CC1=COC(=C1)C(=O)O MCULE-1237690666 [1,0,1,0,0,0|2,0,0]=4 337 B10R1.31 O=CC1=CSC(=C1)C(=O)O MCULE-2054953003 [1,0,1,0,0,0|2,0,0]=4 338 B10R1.58 CC1=C(NC(=C1)C(=O)O)C MCULE-6402473251 [1,0,1,0,0,0|1,0,1]=4 339 B10R1.58 O=C(O)C1=CC(=C(N1)Br)Br MCULE-2071966305 [1,0,1,0,0,0|2,0,0]=4 340 B10R1.58 O=C(O)C1=CC(=C(N1)Br)Cl MCULE-1126259888 [1,0,1,0,0,0|2,0,0]=4 341 B10R1.58 O=C(O)C1=CC(=C(N1)Cl)Br MCULE-8662935062 [1,0,1,0,0,0|2,0,0]=4 342 B10R1.58 O=C(O)C1=CC(=C(N1)Cl)Cl MCULE-8176278880 [1,0,1,0,0,0|2,0,0]=4 343 B10R2.2 O=C1NC2=C(N1)SC=C2 MCULE-8752780160 [2,0,0,0,0,0|2,0,0]=4 344 B12R1.108 COC(=O)C(=CC1=CC=CS1)O MCULE-2678751476 [0,1,1,0,0,0|2,0,0]=4 345 B12R1.108 COC(=O)C(N)CC1=CN=CS1 MCULE-5779450146 [0,1,1,0,0,0|0,0,2]=4 346 B12R1.145 CC1=C(SC=N1)CC(N)C(=O)O MCULE-4057990716 [0,1,1,0,0,0|0,0,2]=4 347 B12R1.298 N#C/C(=C\C1=CC=CS1)/C(=O)O MCULE-1318138263 [0,1,1,0,0,0|1,0,1]=4 348 B12R1.298 N#CC(=CC1=CC=CS1)C(=O)O MCULE-9274500443 [0,1,1,0,0,0|1,0,1]=4 349 B12R1.298 N#CC(=CC1=CN=CS1)C(=O)O MCULE-3055087747 [0,1,1,0,0,0|0,0,1]=3 350 B12R1.389 CC(=O)NC1=CNC(=C1)C(=O)O MCULE-5547624820 [0,1,1,0,0,0|2,0,0]=4 351 B12R2.30 CN1C(=CC2=C1C=CS2)C=O MCULE-9756214843 [1,1,0,0,0,0|1,0,0]=3 352 B12R2.30 CN1C(=CC2=C1C=CS2)CO MCULE-9009910986 [1,1,0,0,0,0|1,0,1]=4 353 B12R2.30 CN1C(=CC2=C1SC=C2)C=O MCULE-2097011507 [1,1,0,0,0,0|2,0,0]=4 354 B12R2.364 CC1=CC2=C(S1)C=C(N2)C=O MCULE-5596435563 [1,1,0,0,0,0|1,0,0]=3 355 B14R2.601 CC(=O)C1=CC=C2N=C(SC2=C1)Br MCULE-6079945281 [0,1,0,0,0,1|2,0,0]=4 356 B14R2.601 CC(=O)C1=CC=C2N=C(SC2=C1)Cl MCULE-9826705879 [0,1,0,0,0,1|2,0,0]=4 357 B14R2.601 CC(=O)C1=CC=C2N=C(SC2=C1)N MCULE-5329312720 [0,1,0,0,0,1|2,0,0]=4 358 B14R2.601 CC1=NC2=C(N1)C=C(C=N2)C(=O)O MCULE-6666140100 [0,1,0,0,0,1|1,0,1]=4 359 B14R2.601 CC1=NC2=C(N1)C=CC(=C2)C(=O)O MCULE-9726958489 [0,1,0,0,0,1|2,0,0]=4 360 B14R2.601 CC1=NC2=C(O1)C=C(C=C2)C(=O)O MCULE-4941710862 [0,1,0,0,0,1|1,1,0]=4 361 B14R2.601 CC1=NC2=C(O1)C=CC(=C2)C(=O)O MCULE-4697236758 [0,1,0,0,0,1|1,1,0]=4 362 B14R2.601 CC1=NC2=C(O1)N=CC(=C2)C(=O)O MCULE-8417597017 [0,1,0,0,0,1|1,1,0]=4 363 B14R2.601 CC1=NC2=C(S1)C=C(C=C2)C(=O)O MCULE-8640111866 [0,1,0,0,0,1|1,0,0]=3 364 B14R2.601 CC1=NC2=C(S1)C=CC(=C2)C(=O)O MCULE-8154234969 [0,1,0,0,0,1|1,0,0]=3 365 B14R2.601 NC(=O)C1=CC=C2N=C(SC2=C1)Br MCULE-1749703634 [0,1,0,0,0,1|2,0,0]=4 366 B14R2.601 NC(=O)C1=CC=C2N=C(SC2=C1)Cl MCULE-5052060492 [0,1,0,0,0,1|2,0,0]=4 367 B14R2.601 NC(=O)C1=CC=C2N=C(SC2=C1)N MCULE-5241472200 [0,1,0,0,0,1|2,0,0]=4 368 B14R2.601 NC1=NC2=C(N1)C=CC(=C2)C(=O)O MCULE-2613301916 [0,1,0,0,0,1|2,0,0]=4 369 B14R2.601 NC1=NC2=C(O1)C=C(C=C2)C(=O)O MCULE-3153294057 [0,1,0,0,0,1|1,1,0]=4 370 B14R2.601 NC1=NC2=C(S1)C=C(C=C2)C(=O)Cl MCULE-1970968278 [0,1,0,0,0,1|2,0,0]=4 371 B14R2.601 NC1=NC2=C(S1)C=C(C=C2)C(=O)Cl MCULE-9439634235 [0,1,0,0,0,1|2,0,0]=4 372 B14R2.601 NC1=NC2=C(S1)C=C(C=C2)C(=O)O MCULE-1289489743 [0,1,0,0,0,1|1,0,0]=3 373 B14R2.601 NC1=NC2=C(S1)C=CC(=C2)C(=O)O MCULE-1282063462 [0,1,0,0,0,1|1,0,0]=3 374 B14R2.601 NC1=NC2=C(S1)C=CC(=C2)C(=O)O MCULE-9460637423 [0,1,0,0,0,1|1,0,0]=3 375 B14R2.601 NC1=NC2=CC(=CC=C2O1)C(=O)O MCULE-5257663876 [0,1,0,0,0,1|1,1,0]=4 376 B14R2.601 NC1=NC2=CC(=CC=C2S1)C(=O)[O-] MCULE-3410728286 [0,1,0,0,0,1|1,0,1]=4 377 B14R2.601 NC1=NC2=CC=C(C=C2S1)C(=O)O MCULE-2937048132 [0,1,0,0,0,1|1,0,0]=3 378 B14R2.601 NC1=NC2=CC=C(C=C2S1)C(=O)[O-] MCULE-8316343371 [0,1,0,0,0,1|1,0,1]=4 379 B14R2.601 O=C(O)C1=CC2=C(C=C1)N=C(S2)Br MCULE-4317954836 [0,1,0,0,0,1|1,0,0]=3 380 B14R2.601 O=C(O)C1=CC2=C(C=C1)N=C(S2)S MCULE-3166260705 [0,1,0,0,0,1|1,0,0]=3 381 B14R2.601 O=C(O)C1=CC2=C(C=C1)NC(=N2)Br MCULE-2176660601 [0,1,0,0,0,1|2,0,0]=4 382 B14R2.601 O=C(O)C1=CC2=C(C=C1)NC(=N2)Cl MCULE-4333333932 [0,1,0,0,0,1|2,0,0]=4 383 B14R2.601 O=C(O)C1=CC2=C(C=C1)OC(=N2)S MCULE-1175439758 [0,1,0,0,0,1|1,1,0]=4 384 B14R2.601 O=C(O)C1=CC2=C(C=C1)SC(=N2)S MCULE-3108353772 [0,1,0,0,0,1|1,0,0]=3 385 B14R2.601 O=C(O)C1=CC=C2N=C(SC2=C1)Cl MCULE-1677365297 [0,1,0,0,0,1|1,0,0]=3 386 B14R2.601 O=C(O)C1=CC=C2N=C(SC2=C1)O MCULE-2252102731 [0,1,0,0,0,1|1,0,0]=3 387 B14R2.601 O=C(O)C1=CC=C2SC(=NC2=C1)Cl MCULE-1617053531 [0,1,0,0,0,1|1,0,0]=3 388 B14R2.601 O=C1N=C2SC=C(C=C2S1)C(=O)O MCULE-7846831303 [0,1,0,0,0,1|1,0,0]=3 389 B14R2.624 CC1=CC2=C(C=C1C(=O)O)N=CN2 MCULE-3016068581 [0,1,0,0,0,1|2,0,0]=4 390 B14R2.624 CC1=CC2=C(C=C1C(=O)O)N=CN2 MCULE-9767714156 [0,1,0,0,0,1|2,0,0]=4 391 B14R2.624 NC1=CC2=C(C=C1C(=O)O)N=CN2 MCULE-5537041351 [0,1,0,0,0,1|2,0,0]=4 392 B14R2.624 O=C(O)C1=C(C=C2N=CNC2=C1)F MCULE-4963081779 [0,1,0,0,0,1|2,0,0]=4 393 B14R2.624 O=C(O)C1=C(N=C2C=CSC2=C1)Cl MCULE-1255305371 [0,1,0,0,0,1|1,0,1]=4 394 B14R2.966 COC(=O)C1=CC2=C(C=C1)N=CN2 MCULE-4510179653 [0,1,0,0,0,1|2,0,0]=4 395 B14R2.966 COC(=O)C1=CC2=C(C=C1)N=CO2 MCULE-5296688625 [0,1,0,0,0,1|1,1,0]=4 396 B14R2.966 COC(=O)C1=CC2=C(C=C1)N=CS2 MCULE-2191881880 [0,1,0,0,0,1|1,0,0]=3 397 B14R2.966 COC(=O)C1=CC2=C(C=C1)NC=N2 MCULE-5079522237 [0,1,0,0,0,1|2,0,0]=4 398 B14R2.966 COC(=O)C1=CC2=C(C=C1)SC=C2 MCULE-4717772075 [0,1,0,0,0,1|2,0,0]=4 399 B14R2.966 COC(=O)C1=CC2=C(C=CS2)N=C1 MCULE-4620114506 [0,1,0,0,0,1|1,0,1]=4 400 B14R2.966 COC(=O)C1=CC2=C(C=N1)SC=C2 MCULE-4358347931 [0,1,0,0,0,1|2,0,0]=4 401 B14R2.966 COC(=O)C1=CC2=CC=NC2=CN1 MCULE-2089085426 [0,1,0,0,0,1|1,0,0]=3 402 B14R2.966 COC(=O)C1=CC2=CN=NC2=CN1 MCULE-3732120162 [0,1,0,0,0,1|2,0,0]=4 403 B14R2.966 COC(=O)C1=CC2=NC=CC2=CN1 MCULE-7721903222 [0,1,0,0,0,1|2,0,0]=4 404 B14R2.966 COC(=O)C1=CC2=NC=NC2=CN1 MCULE-2045388632 [0,1,0,0,0,1|1,0,0]=3 405 B14R2.966 COC(=O)C1=CC=C2C=CSC2=C1 MCULE-4017196813 [0,1,0,0,0,1|2,0,0]=4 406 B14R2.966 COC(=O)C1=CC=C2N=NSC2=C1 MCULE-1343045803 [0,1,0,0,0,1|2,0,0]=4 407 B14R2.966 COC(=O)C1=CC=C2NC=NC2=C1 MCULE-5683980964 [0,1,0,0,0,1|2,0,0]=4 408 B14R2.966 COC(=O)C1=CC=C2OC=NC2=C1 MCULE-1762413520 [0,1,0,0,0,1|1,1,0]=4 409 B14R2.966 COC(=O)C1=CC=C2SC=NC2=C1 MCULE-1682311406 [0,1,0,0,0,1|1,0,0]=3 410 B14R2.966 COC(=O)C1=CC=C2SN=NC2=C1 MCULE-1267427100 [0,1,0,0,0,1|2,0,0]=4 411 B14R2.966 COC(=O)C1=CN=C2N=CNC2=C1 MCULE-9169351627 [0,1,0,0,0,1|1,0,1]=4 412 B14R2.966 COC(=O)C1=CN=C2N=CSC2=C1 MCULE-5630945636 [0,1,0,0,0,1|0,0,1]=3 413 B14R2.966 COC(=O)C1=CN=C2SC=CC2=C1 MCULE-1501989460 [0,1,0,0,0,1|2,0,0]=4 414 B14R2.966 COC(=O)C1=NC2=C(C=C1)SC=C2 MCULE-9151092983 [0,1,0,0,0,1|1,0,1]=4 415 B14R2.966 COC(=O)C1=NC=C2C=CSC2=C1 MCULE-9562287489 [0,1,0,0,0,1|1,0,1]=4 416 B14R2.966 COC(=O)C1=NC=C2NC=NC2=C1 MCULE-6882699988 [0,1,0,0,0,1|2,0,0]=4 417 B14R2.966 O/N=C(\Cl)/C1=CC=C2N=CSC2=C1 MCULE-9967663164 [0,1,0,0,0,1|2,0,0]=4 418 B14R2.3125 O=S(=O)(O)C1=CC=C2N=CSC2=C1 MCULE-6388545404 [0,1,0,0,0,1|2,0,0]=4 419 B14R2.5719 CN1C=NC2=C1C=CC(=C2)C(=O)O MCULE-6835391857 [0,1,0,0,0,1|2,0,0]=4 420 B14R2.5719 CN1C=NC2=C1N=CC(=C2)C(=O)O MCULE-3573848966 [0,1,0,0,0,1|2,0,0]=4 421 B14R2.5719 CN1C=NC2=CC(=CC=C12)C(=O)O MCULE-6477128827 [0,1,0,0,0,1|2,0,0]=4 422 B14R2.5998 CC1=C2C=CSC2=CC=C1C(=O)O MCULE-9678991340 [0,1,0,0,0,1|2,0,0]=4 423 B14R2.5998 O=C(O)C1=C(C2=C(C=C1)NC=N2)F MCULE-4453523245 [0,1,0,0,0,1|2,0,0]=4 424 B14R2.5998 O=C(O)C1=C(C2=C(C=C1)NC=N2)F MCULE-7937720627 [0,1,0,0,0,1|2,0,0]=4 425 B14R2.5998 O=C(O)C1=CC=C2SC=CC2=C1O MCULE-8345128536 [0,1,0,0,0,1|2,0,0]=4 426 B14R2.5998 O=C(O)C1=CN=C2C=CSC2=C1Cl MCULE-4913174030 [0,1,0,0,0,1|1,0,1]=4 427 B14R2.5998 O=C(O)C1=CNC2=C(C1=O)SC=C2 MCULE-8491979439 [0,1,0,0,0,1|1,0,0]=3 428 B14R2.5998 O=C(O)C1=NNC2=NC=CN2C1=O MCULE-8746689846 [0,1,0,0,0,1|2,0,0]=4 429 B14R2.5998 O=C(O)C1=NNC2=NC=NN2C1=O MCULE-4837839868 [0,1,0,0,0,1|2,0,0]=4 430 B14R2.8824 CC1=C2N=CNC2=CC(=C1)C(=O)O MCULE-2418879925 [0,1,0,0,0,1|2,0,0]=4 431 B14R2.8824 NC1=CC(=CC2=C1N=CN2)C(=O)O MCULE-3810482094 [0,1,0,0,0,1|2,0,0]=4 432 B14R2.8824 NC1=CC(=CC2=C1N=CN2)C(=O)O MCULE-8949035320 [0,1,0,0,0,1|2,0,0]=4 433 B14R2.8824 O=C(O)C1=CC(=C2N=CNC2=C1)Cl MCULE-7807880996 [0,1,0,0,0,1|2,0,0]=4 434 B14R2.8824 O=C(O)C1=CC(=C2NC=NC2=C1)Cl MCULE-5437564410 [0,1,0,0,0,1|2,0,0]=4 435 B14R2.8824 O=C(O)C1=CC2=C(C=CS2)C(=C1)O MCULE-6718955314 [0,1,0,0,0,1|2,0,0]=4 436 B14R2.8824 O=C(O)C1=CC2=C(NC=N2)C(=C1)Br MCULE-2581860651 [0,1,0,0,0,1|2,0,0]=4 437 B14R2.8824 O=C(O)C1=CC2=C(SC=C2)C(=C1)O MCULE-2433754393 [0,1,0,0,0,1|2,0,0]=4 438 B14R2.8824 O=C(O)C1=NC2=C(SC=C2)C(=O)N1 MCULE-9852970022 [0,1,0,0,0,1|1,0,1]=4 439 B14R2.24358 CC1=CSC2=C1C=C(C=C2)C(=O)O MCULE-4511097387 [0,1,0,0,0,1|2,0,0]=4 440 B14R2.24358 CN1C=NC2=C1C=C(N=C2)C(=O)O MCULE-8718578742 [0,1,0,0,0,1|1,0,1]=4 441 B14R2.24358 CN1C=NC2=CC=C(C=C12)C(=O)O MCULE-3147392931 [0,1,0,0,0,1|2,0,0]=4 442 B14R2.24358 O=C(O)C1=CC2=C(C=C1)SC=C2Br MCULE-2947118705 [0,1,0,0,0,1|2,0,0]=4 443 B14R2.24358 O=C(O)C1=CNC2=NNC(=O)C2=C1 MCULE-5790454554 [0,1,0,0,0,1|2,0,0]=4 444 B14R2.450 CC1=C(NC2=CC=CC=C12)C(=O)O MCULE-7311271488 [0,1,0,0,0,1|2,0,0]=4 445 B14R2.450 CC1=C(NC2=NC=CC=C12)C(=O)O MCULE-3669163304 [0,1,0,0,0,1|1,0,0]=3 446 B14R2.450 CC1=C(SC2=NC=CC=C12)C(=O)O MCULE-8780048190 [0,1,0,0,0,1|2,0,0]=4 447 B14R2.450 CN1C(=CC2=C1C=CC=C2)C(=O)O MCULE-7606431397 [0,1,0,0,0,1|2,0,0]=4 448 B14R2.450 CN1C(=CC2=CC=CN=C12)C(=O)O MCULE-2944043282 [0,1,0,0,0,1|1,0,0]=3 449 B14R2.450 CN1C(=NC2=CC=CN=C12)C(=O)O MCULE-4558855428 [0,1,0,0,0,1|2,0,0]=4 450 B14R2.450 NC1=C(SC2=C1N=CC=N2)C(=O)O MCULE-4873496557 [0,1,0,0,0,1|2,0,0]=4 451 B14R2.450 NC1=C(SC2=NC=CC=C12)C(=O)O MCULE-1286863964 [0,1,0,0,0,1|2,0,0]=4 452 B14R2.450 NC1=C(SC2=NC=NC=C12)C(=O)O MCULE-9208352228 [0,1,0,0,0,1|2,0,0]=4 453 B14R2.450 O=C(O)C1=C(C2=C(N1)C=CC=C2)Br MCULE-7116187068 [0,1,0,0,0,1|2,0,0]=4 454 B14R2.450 O=C(O)C1=C(C2=C(N1)C=CC=C2)I MCULE-6991847846 [0,1,0,0,0,1|2,0,0]=4 455 B14R2.450 O=C(O)C1=C(C2=C(N1)C=CN=C2)Br MCULE-7378796245 [0,1,0,0,0,1|2,0,0]=4 456 B14R2.450 O=C(O)C1=C(C2=C(N1)C=CN=C2)I MCULE-6456901770 [0,1,0,0,0,1|2,0,0]=4 457 B14R2.450 O=C(O)C1=C(C2=C(S1)N=CC=C2)Cl MCULE-8108339258 [0,1,0,0,0,1|2,0,0]=4 458 B14R2.450 O=C(O)C1=C(C2=C(S1)N=CC=N2)Br MCULE-1458461966 [0,1,0,0,0,1|2,0,0]=4 459 B14R2.450 O=C(O)C1=C(C2=CC=CC=C2N1)Cl MCULE-1448924250 [0,1,0,0,0,1|2,0,0]=4 460 B14R2.450 O=C(O)C1=C(C2=CC=CC=C2N1)F MCULE-1364162237 [0,1,0,0,0,1|2,0,0]=4 461 B14R2.450 O=C(O)C1=C(C2=CC=CN=C2N1)F MCULE-6935527203 [0,1,0,0,0,1|1,0,0]=3 462 B14R2.450 O=C(O)C1=C(C2=CC=CN=C2S1)Br MCULE-7677909143 [0,1,0,0,0,1|2,0,0]=4 463 B14R2.450 O=C(O)C1=C(C2=CC=CN=C2S1)O MCULE-2540034014 [0,1,0,0,0,1|2,0,0]=4 464 B14R2.450 O=C(O)C1=C(C2=CC=NC=C2O1)O MCULE-8892160122 [0,1,0,0,0,1|2,0,0]=4 465 B14R2.450 O=C(O)C1=C(C2=NC=CN=C2S1)Cl MCULE-2619673380 [0,1,0,0,0,1|2,0,0]=4 466 B14R2.450 O=C(O)C1=CC2=CC=CC=C2N1O MCULE-8611184311 [0,1,0,0,0,1|2,0,0]=4 467 B14R2.972 COC(=O)C1=CC2=C(N1)C=CC=C2 MCULE-6384701616 [0,1,0,0,0,1|2,0,0]=4 468 B14R2.972 COC(=O)C1=CC2=C(N1)C=CN=C2 MCULE-8461518232 [0,1,0,0,0,1|2,0,0]=4 469 B14R2.972 COC(=O)C1=CC2=C(S1)C=NC=C2 MCULE-2406363549 [0,1,0,0,0,1|2,0,0]=4 470 B14R2.972 COC(=O)C1=CC2=C(S1)N=CC=C2 MCULE-2596118209 [0,1,0,0,0,1|2,0,0]=4 471 B14R2.972 COC(=O)C1=CC2=CC=CN=C2N1 MCULE-4361340841 [0,1,0,0,0,1|1,0,0]=3 472 B14R2.972 COC(=O)C1=CC2=CC=CN=C2N1 MCULE-6552358808 [0,1,0,0,0,1|1,0,0]=3 473 B14R2.972 COC(=O)C1=CC2=CC=CN=C2O1 MCULE-9526346492 [0,1,0,0,0,1|2,0,0]=4 474 B14R2.972 COC(=O)C1=CC2=CC=NC=C2N1 MCULE-3856599932 [0,1,0,0,0,1|1,0,0]=3 475 B14R2.972 COC(=O)C1=CC2=CN=CN=C2N1 MCULE-3146640955 [0,1,0,0,0,1|1,0,0]=3 476 B14R2.972 COC(=O)C1=CC2=NC=CC=C2N1 MCULE-3988607014 [0,1,0,0,0,1|2,0,0]=4 477 B14R2.972 COC(=O)C1=CC2=NC=CN=C2N1 MCULE-2806624469 [0,1,0,0,0,1|1,0,0]=3 478 B14R2.972 COC(=O)C1=CC2=NC=CN=C2S1 MCULE-5063653962 [0,1,0,0,0,1|2,0,0]=4 479 B14R2.972 COC(=O)C1=CC2=NC=NC=C2S1 MCULE-7451798348 [0,1,0,0,0,1|2,0,0]=4 480 B14R2.972 COC(=O)C1=NC2=CC=CN=C2N1 MCULE-5648353893 [0,1,0,0,0,1|2,0,0]=4 481 B14R2.972 NNC(=O)C1=CC2=CC=CN=C2N1 MCULE-4675449493 [0,1,0,0,0,1|2,0,0]=4 482 B14R2.4529 CC1=CC2=C(C=N1)C=C(N2)C(=O)O MCULE-9822144028 [0,1,0,0,0,1|2,0,0]=4 483 B14R2.4529 CC1=CC=C2C=C(NC2=C1)C(=O)O MCULE-8264158205 [0,1,0,0,0,1|2,0,0]=4 484 B14R2.4529 CC1=CC=C2C=C(NC2=N1)C(=O)O MCULE-4287402506 [0,1,0,0,0,1|1,0,0]=3 485 B14R2.4529 CC1=CC=C2NC(=CC2=C1)C(=O)O MCULE-5011941873 [0,1,0,0,0,1|2,0,0]=4 486 B14R2.4529 CC1=CC=C2NC(=CC2=N1)C(=O)O MCULE-4461775535 [0,1,0,0,0,1|2,0,0]=4 487 B14R2.4529 CC1=CN=C2C=C(NC2=C1)C(=O)O MCULE-2688194113 [0,1,0,0,0,1|2,0,0]=4 488 B14R2.4529 CC1=CN=C2NC(=CC2=C1)C(=O)O MCULE-9987188976 [0,1,0,0,0,1|1,0,0]=3 489 B14R2.4529 CC1=NC=C2NC(=CC2=C1)C(=O)O MCULE-8971931589 [0,1,0,0,0,1|1,0,0]=3 490 B14R2.4529 NC1=CC2=C(C=C1)C=C(N2)C(=O)O MCULE-4660368633 [0,1,0,0,0,1|2,0,0]=4 491 B14R2.4529 NC1=CC2=C(C=C1)NC(=C2)C(=O)O MCULE-5175411843 [0,1,0,0,0,1|2,0,0]=4 492 B14R2.4529 NC1=CC2=C(N=C1)NC(=C2)C(=O)O MCULE-2454495039 [0,1,0,0,0,1|1,0,0]=3 493 B14R2.4529 NC1=CC=C2NC(=CC2=N1)C(=O)O MCULE-9410814466 [0,1,0,0,0,1|2,0,0]=4 494 B14R2.4529 NC1=CN=C2C=C(NC2=C1)C(=O)O MCULE-7429431044 [0,1,0,0,0,1|2,0,0]=4 495 B14R2.4529 O=C(O)C1=CC2=C(N1)C=C(C=C2)Br MCULE-5960395717 [0,1,0,0,0,1|2,0,0]=4 496 B14R2.4529 O=C(O)C1=CC2=C(N1)C=C(N=C2)Cl MCULE-5533863411 [0,1,0,0,0,1|2,0,0]=4 497 B14R2.4529 O=C(O)C1=CC2=C(N1)C=C(N=C2)O MCULE-3167669292 [0,1,0,0,0,1|2,0,0]=4 498 B14R2.4529 O=C(O)C1=CC2=C(N1)C=CC(=C2)Br MCULE-4458100829 [0,1,0,0,0,1|2,0,0]=4 499 B14R2.4529 O=C(O)C1=CC2=C(N1)C=CC(=C2)F MCULE-7105968907 [0,1,0,0,0,1|2,0,0]=4 500 B14R2.4529 O=C(O)C1=CC2=C(N1)C=CC(=C2)I MCULE-8041395933 [0,1,0,0,0,1|2,0,0]=4 501 B14R2.4529 O=C(O)C1=CC2=C(N1)C=CC(=C2)O MCULE-1314297483 [0,1,0,0,0,1|2,0,0]=4 502 B14R2.4529 O=C(O)C1=CC2=C(N1)C=CC(=N2)Cl MCULE-2778973655 [0,1,0,0,0,1|2,0,0]=4 503 B14R2.4529 O=C(O)C1=CC2=C(N1)C=NC(=C2)Br MCULE-8296530641 [0,1,0,0,0,1|1,0,0]=3 504 B14R2.4529 O=C(O)C1=CC2=C(N1)C=NC(=C2)Cl MCULE-1387920113 [0,1,0,0,0,1|1,0,0]=3 505 B14R2.4529 O=C(O)C1=CC2=C(N1)N=CC(=C2)Cl MCULE-2802182771 [0,1,0,0,0,1|1,0,0]=3 506 B14R2.4529 O=C(O)C1=CC2=C(N1)N=CC(=C2)F MCULE-5415178192 [0,1,0,0,0,1|1,0,0]=3 507 B14R2.4529 O=C(O)C1=CC2=C(N1)N=CC(=C2)O MCULE-3368229207 [0,1,0,0,0,1|1,0,0]=3 508 B14R2.4529 O=C(O)C1=CC2=C(O1)C=NC(=C2)Cl MCULE-4562450920 [0,1,0,0,0,1|2,0,0]=4 509 B14R2.4529 O=C(O)C1=CC2=C(S1)C=NC(=C2)Cl MCULE-2698454098 [0,1,0,0,0,1|2,0,0]=4 510 B14R2.4529 O=C(O)C1=CC2=C(S1)N=C(C=C2)Cl MCULE-1579772857 [0,1,0,0,0,1|2,0,0]=4 511 B14R2.4529 O=C(O)C1=CC2=C(S1)N=CC(=C2)Br MCULE-5711441197 [0,1,0,0,0,1|2,0,0]=4 512 B14R2.4529 O=C(O)C1=CC2=CC(=CC=C2N1)Cl MCULE-5711501424 [0,1,0,0,0,1|2,0,0]=4 513 B14R2.4529 O=C(O)C1=CC2=CC(=CN=C2N1)Br MCULE-5019628320 [0,1,0,0,0,1|1,0,0]=3 514 B14R2.4529 O=C(O)C1=CC2=CC(=NC=C2N1)F MCULE-9934230956 [0,1,0,0,0,1|1,0,0]=3 515 B14R2.4529 O=C(O)C1=CC2=CC=C(C=C2N1)Cl MCULE-1413303202 [0,1,0,0,0,1|2,0,0]=4 516 B14R2.4529 O=C(O)C1=CC2=CC=C(C=C2N1)F MCULE-8668027408 [0,1,0,0,0,1|2,0,0]=4 517 B14R2.4529 O=C(O)C1=CC2=CC=C(C=C2N1)I MCULE-8124519811 [0,1,0,0,0,1|2,0,0]=4 518 B14R2.4529 O=C(O)C1=CC2=CC=C(C=C2N1)O MCULE-9576998043 [0,1,0,0,0,1|2,0,0]=4 519 B14R2.4529 O=C(O)C1=CC2=CC=C(N=C2N1)Br MCULE-5499612718 [0,1,0,0,0,1|1,0,0]=3 520 B14R2.4529 O=C(O)C1=CC2=CC=C(N=C2N1)Cl MCULE-7193286544 [0,1,0,0,0,1|1,0,0]=3 521 B14R2.4529 O=C(O)C1=CC2=CN=C(N=C2N1)Cl MCULE-7277829147 [0,1,0,0,0,1|1,0,0]=3 522 B14R2.4529 O=C(O)C1=CC2=NC(=CC=C2N1)Br MCULE-6638069161 [0,1,0,0,0,1|2,0,0]=4 523 B14R2.4529 O=C(O)C1=CC2=NC=C(C=C2N1)Br MCULE-3079357811 [0,1,0,0,0,1|2,0,0]=4 524 B14R2.4529 O=C(O)C1=CC2=NC=C(C=C2N1)Cl MCULE-5263718436 [0,1,0,0,0,1|2,0,0]=4 525 B14R2.4529 O=C(O)C1=NC2=C(N1)N=CC(=C2)Br MCULE-4951526640 [0,1,0,0,0,1|2,0,0]=4 526 B14R2.4529 O=C(O)C1=NC2=CC=C(N=C2N1)Cl MCULE-7609713296 [0,1,0,0,0,1|2,0,0]=4 527 B14R2.7969 CC1=C2C=C(NC2=CC=C1)C(=O)O MCULE-4659714822 [0,1,0,0,0,1|2,0,0]=4 528 B14R2.7969 CC1=C2C=C(NC2=NC=C1)C(=O)O MCULE-5127827266 [0,1,0,0,0,1|1,0,0]=3 529 B14R2.7969 CC1=C2NC(=CC2=CC=C1)C(=O)O MCULE-4694736949 [0,1,0,0,0,1|2,0,0]=4 530 B14R2.7969 CC1=NC=CC2=C1C=C(N2)C(=O)O MCULE-7756974255 [0,1,0,0,0,1|2,0,0]=4 531 B14R2.7969 NC1=C2C=C(NC2=NC=N1)C(=O)O MCULE-9055997961 [0,1,0,0,0,1|1,0,0]=3 532 B14R2.7969 NC1=CC=CC2=C1C=C(N2)C(=O)O MCULE-9009478244 [0,1,0,0,0,1|2,0,0]=4 533 B14R2.7969 NC1=CC=CC2=C1NC(=C2)C(=O)O MCULE-3230798113 [0,1,0,0,0,1|2,0,0]=4 534 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2N1)Br MCULE-2524085019 [0,1,0,0,0,1|2,0,0]=4 535 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2N1)Cl MCULE-5240160491 [0,1,0,0,0,1|2,0,0]=4 536 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2N1)F MCULE-6858546443 [0,1,0,0,0,1|2,0,0]=4 537 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2N1)O MCULE-4034566501 [0,1,0,0,0,1|2,0,0]=4 538 B14R2.7969 O=C(O)C1=CC2=C(C=CN=C2N1)Br MCULE-6283673902 [0,1,0,0,0,1|1,0,0]=3 539 B14R2.7969 O=C(O)C1=CC2=C(C=CN=C2N1)Cl MCULE-3432650133 [0,1,0,0,0,1|1,0,0]=3 540 B14R2.7969 O=C(O)C1=CC2=C(C=CN=C2S1)Cl MCULE-9859444799 [0,1,0,0,0,1|2,0,0]=4 541 B14R2.7969 O=C(O)C1=CC2=C(C=NC=C2S1)Cl MCULE-1299759168 [0,1,0,0,0,1|2,0,0]=4 542 B14R2.7969 O=C(O)C1=CC2=C(C=NN=C2N1)O MCULE-8881068790 [0,1,0,0,0,1|1,0,0]=3 543 B14R2.7969 O=C(O)C1=CC2=C(N1)C(=CC=C2)O MCULE-5335470646 [0,1,0,0,0,1|2,0,0]=4 544 B14R2.7969 O=C(O)C1=CC2=C(N1)C(=CN=C2)Cl MCULE-6790025262 [0,1,0,0,0,1|2,0,0]=4 545 B14R2.7969 O=C(O)C1=CC2=C(N1)C(=NC=C2)Cl MCULE-3345354357 [0,1,0,0,0,1|1,0,0]=3 546 B14R2.7969 O=C(O)C1=CC2=C(N1)C=CN=C2Cl MCULE-4166657024 [0,1,0,0,0,1|2,0,0]=4 547 B14R2.7969 O=C(O)C1=CC2=C(N1)C=CN=C2F MCULE-6118446973 [0,1,0,0,0,1|2,0,0]=4 548 B14R2.7969 O=C(O)C1=CC2=C(N1)C=NC=C2Br MCULE-1684761028 [0,1,0,0,0,1|1,0,0]=3 549 B14R2.7969 O=C(O)C1=CC2=C(N1)C=NC=C2Cl MCULE-2418125631 [0,1,0,0,0,1|1,0,0]=3 550 B14R2.7969 O=C(O)C1=CC2=C(N1)N=CC=C2O MCULE-5104893278 [0,1,0,0,0,1|1,0,0]=3 551 B14R2.7969 O=C(O)C1=CC2=C(N=CC=C2N1)Br MCULE-5052794372 [0,1,0,0,0,1|2,0,0]=4 552 B14R2.7969 O=C(O)C1=CC2=C(N=CN=C2N1)Br MCULE-5591572047 [0,1,0,0,0,1|1,0,0]=3 553 B14R2.7969 O=C(O)C1=CC2=C(N=CN=C2N1)Cl MCULE-1621611471 [0,1,0,0,0,1|1,0,0]=3 554 B14R2.7969 O=C(O)C1=CC2=C(N=CN=C2S1)Cl MCULE-3810977278 [0,1,0,0,0,1|2,0,0]=4 555 B14R2.7969 O=C(O)C1=CC2=C(S1)C(=NC=C2)Br MCULE-6952355092 [0,1,0,0,0,1|2,0,0]=4 556 B14R2.7969 O=C(O)C1=CC2=C(S1)C(=NC=C2)Cl MCULE-1158502316 [0,1,0,0,0,1|2,0,0]=4 557 B14R2.7969 O=C(O)C1=CC2=C(S1)C=NC=C2Br MCULE-9210726781 [0,1,0,0,0,1|2,0,0]=4 558 B14R2.7969 O=C(O)C1=CC2=C(S1)C=NC=C2F MCULE-2100627276 [0,1,0,0,0,1|2,0,0]=4 559 B14R2.7969 O=C(O)C1=CC2=CC=CC(=C2N1)Br MCULE-4476929032 [0,1,0,0,0,1|2,0,0]=4 560 B14R2.7969 O=C(O)C1=CC2=CC=CC(=C2N1)Cl MCULE-7563331391 [0,1,0,0,0,1|2,0,0]=4 561 B14R2.7969 O=C(O)C1=CC2=CC=CC(=C2N1)F MCULE-7546016562 [0,1,0,0,0,1|2,0,0]=4 562 B14R2.7969 O=C(O)C1=CC2=NC=NC(=C2S1)Cl MCULE-6418281823 [0,1,0,0,0,1|2,0,0]=4 563 B14R2.648 CC1=CC2=C(O1)C=C(N2C)C(=O)O MCULE-8090709695 [0,2,0,0,0,0|1,1,0]=4 564 B14R2.648 CC1=CC2=C(S1)C(=C(S2)C(=O)O)C MCULE-8019464485 [0,2,0,0,0,0|2,0,0]=4 565 B14R2.648 CC1=CC2=C(S1)C=C(N2C)C(=O)O MCULE-6649051574 [0,2,0,0,0,0|1,0,0]=3 566 B14R2.707 CC1=C(C2=C(O1)C=C(N2)C(=O)O)C MCULE-5714392601 [0,2,0,0,0,0|1,1,0]=4 567 B14R2.707 O=C(O)C1=CC2=C(N1)C(=C(S2)Cl)Cl MCULE-8874164553 [0,2,0,0,0,0|1,0,0]=3 568 B14R2.1194 O=CC1=CC2=C(O1)C=C(N2)C(=O)O MCULE-2578177972 [0,2,0,0,0,0|1,1,0]=4 569 B14R2.1194 O=CC1=CC2=C(S1)C=C(N2)C(=O)O MCULE-2751084347 [0,2,0,0,0,0|1,0,0]=3 570 B14R2.1194 O=CC1=CC2=C(S1)NC(=C2)C(=O)O MCULE-4572398615 [0,2,0,0,0,0|2,0,0]=4 571 B14R2.10815 CC1=CC2=C(S1)C=C(N2)C(=O)NN MCULE-3144112053 [0,2,0,0,0,0|2,0,0]=4 572 B14R2.10815 COC(=O)C1=CC2=C(N1)C=C(O2)C MCULE-8719760656 [0,2,0,0,0,0|1,1,0]=4 573 B14R2.10815 COC(=O)C1=CC2=C(N1)C=C(S2)C MCULE-6373092470 [0,2,0,0,0,0|1,0,0]=3 574 B14R2.10815 COC(=O)C1=CC2=C(N1)SC(=C2)Cl MCULE-4478371406 [0,2,0,0,0,0|2,0,0]=4 575 B14R2.10815 COC(=O)C1=CC2=C(N1)SC(=N2)C MCULE-3737024859 [0,2,0,0,0,0|2,0,0]=4 576 B14R2.10815 NNC(=O)C1=CC2=C(N1)C=C(S2)Br MCULE-2505797006 [0,2,0,0,0,0|2,0,0]=4 577 B14R2.10815 NNC(=O)C1=CC2=C(N1)C=C(S2)Cl MCULE-8928128495 [0,2,0,0,0,0|2,0,0]=4 578 B14R2.839 CCOC(=O)C1=CC2=C(N1)C=CO2 MCULE-4044092581 [0,2,0,0,0,0|1,1,0]=4 579 B14R2.839 CCOC(=O)C1=CC2=C(N1)C=CS2 MCULE-8027807288 [0,2,0,0,0,0|1,0,0]=3 580 B14R2.839 CCOC(=O)C1=CC2=C(N1)N=CS2 MCULE-1729793886 [0,2,0,0,0,0|0,0,0]=2 581 B14R2.839 CCOC(=O)C1=CC2=C(N1)OC=C2 MCULE-6952735188 [0,2,0,0,0,0|2,0,0]=4 582 B14R2.839 CCOC(=O)C1=CC2=C(N1)SC=C2 MCULE-3688679159 [0,2,0,0,0,0|2,0,0]=4 583 B14R2.839 CCOC(=O)C1=CC2=C(N1)SC=N2 MCULE-1439058918 [0,2,0,0,0,0|2,0,0]=4 584 B14R2.839 CCOC(=O)C1=CC2=C(S1)C=CS2 MCULE-4334019101 [0,2,0,0,0,0|2,0,0]=4 585 B14R2.970 CNC(=O)C1=CC2=C(N1C)C=CS2 MCULE-1852292045 [0,2,0,0,0,0|2,0,0]=4 586 B14R2.970 COC(=O)C1=C(C2=C(N1)C=CO2)Br MCULE-8263203543 [0,2,0,0,0,0|1,1,0]=4 587 B14R2.970 COC(=O)C1=CC2=C(N1C)C=CO2 MCULE-3046304113 [0,2,0,0,0,0|1,1,0]=4 588 B14R2.10637 COC(=O)C1=CC2=C(N1)C(=CS2)Br MCULE-2572238697 [0,2,0,0,0,0|1,0,0]=3 589 B14R2.10637 COC(=O)C1=CC2=C(N1)C(=CS2)Cl MCULE-3093348341 [0,2,0,0,0,0|1,0,0]=3 590 B14R2.10637 COC(=O)C1=CC2=C(S1)C(=CS2)Cl MCULE-1587502254 [0,2,0,0,0,0|2,0,0]=4 591 B14R2.4281 CCN1C(=CC2=C1C=CO2)C(=O)O MCULE-4703813337 [0,2,0,0,0,0|1,1,0]=4 592 B14R2.4281 CCN1C(=CC2=C1C=CS2)C(=O)O MCULE-3556667200 [0,2,0,0,0,0|1,0,0]=3 593 B14R2.4281 O=CC1=C(NC2=C1SC=C2)C(=O)O MCULE-4956221282 [0,2,0,0,0,0|1,0,0]=3 594 B14R2.5617 CC1=C(SC2=C1SC=C2Br)C(=O)O MCULE-7860097695 [0,2,0,0,0,0|2,0,0]=4 595 B14R2.2327 C=CC1=COC2=C1NC(=C2)C(=O)O MCULE-7592465588 [0,2,0,0,0,0|1,1,0]=4 596 B10R1.23 C(N)(C(=O)O)C1=CC=CS1 MCULE-1250665795 [0,0,1,0,1,0|1,0,1]=4 597 B10R1.23 NC(C(=O)O)C1=CC=CS1 MCULE-2621741244 [0,0,1,0,1,0|1,0,1]=4 598 B10R1.23 N[C@@H](C(=O)O)C1=CC=CS1 MCULE-5616654577 [0,0,1,0,1,0|1,0,1]=4 599 B10R1.23 N[C@@H](C(=O)O)C1=CC=CS1 MCULE-8589130349 [0,0,1,0,1,0|1,0,1]=4 600 B10R1.23 N[C@H](C(=O)O)C1=CC=CS1 MCULE-6119385757 [0,0,1,0,1,0|1,0,1]=4 601 B10R1.23 N[C@H](C(=O)O)C1=CC=CS1 MCULE-8662100722 [0,0,1,0,1,0|1,0,1]=4 602 B10R1.23 O=C(O)C(=O)C1=CC=CS1 MCULE-2381062967 [0,0,1,0,1,0|2,0,0]=4 603 B10R1.23 O=C(O)C(=O)C1=CNC=N1 MCULE-8916685899 [0,0,1,0,1,0|2,0,0]=4 604 B10R1.23 O=C(O)C(=O)C1=CSC=C1 MCULE-4791693629 [0,0,1,0,1,0|2,0,0]=4 605 B10R1.64 CC1=C(SC=N1)CC(=O)O MCULE-9329716705 [0,0,1,0,1,0|1,0,1]=4 606 B12R1.43 CC(=CC1=CC=NC=C1)C(=O)O MCULE-4497311492 [0,0,1,0,0,1|2,0,0]=4 607 B12R1.43 CC(=CC1=CC=NC=C1)C(=O)O MCULE-9348219643 [0,0,1,0,0,1|2,0,0]=4 608 B12R1.43 CC(=CC1=CN=CC=C1)C(=O)O MCULE-3384877642 [0,0,1,0,0,1|2,0,0]=4 609 B12R1.43 CC(=CC1=CN=CC=C1)C(=O)O MCULE-7592730750 [0,0,1,0,0,1|2,0,0]=4 610 B12R1.43 O=C(O)/C(=C/C1=CC=CN=C1)/F MCULE-3005239361 [0,0,1,0,0,1|2,0,0]=4 611 B12R1.43 O=C(O)C(=CC1=CC=CN=C1)S MCULE-9764587748 [0,0,1,0,0,1|2,0,0]=4 612 B12R1.43 O=C(O)C(=CC1=CN=CC=C1)F MCULE-3500064918 [0,0,1,0,0,1|2,0,0]=4 613 B12R1.43 O=C(O)C(=CC1=CN=CC=C1)F MCULE-5834768457 [0,0,1,0,0,1|2,0,0]=4 614 B12R1.43 O=C(O)C(=O)NC1=CC=CC=N1 MCULE-4370089229 [0,0,1,0,0,1|2,0,0]=4 615 B12R1.43 O=C(O)C(=O)NC1=CC=CN=C1 MCULE-9086642065 [0,0,1,0,0,1|2,0,0]=4 616 B12R1.264 O=C(O)C(=O)C=CC1=CC=CS1 MCULE-3493980124 [0,0,1,0,0,1|2,0,0]=4 617 B12R1.125 CC1=NC=CC=C1/C=C/C(=O)O MCULE-4255573583 [0,0,1,0,0,1|2,0,0]=4 618 B12R1.125 NC1=C(C=CC=C1)C=CC(=O)O MCULE-1813623710 [0,0,1,0,0,1|2,0,0]=4 619 B12R1.125 NC1=C(C=CC=N1)C=CC(=O)O MCULE-2950226173 [0,0,1,0,0,1|1,0,0]=3 620 B12R1.125 NC1=CC=NC=C1C=CC(=O)O MCULE-4130517568 [0,0,1,0,0,1|2,0,0]=4 621 B12R1.125 NC1=NC=CC=C1/C=C/C(=O)O MCULE-3009837322 [0,0,1,0,0,1|1,0,0]=3 622 B12R1.125 O=C(O)/C=C/C1=C(C=NC=C1)F MCULE-4119074797 [0,0,1,0,0,1|2,0,0]=4 623 B12R1.125 O=C(O)C=CC1=C(C=NC=C1)F MCULE-2071172197 [0,0,1,0,0,1|2,0,0]=4 624 B12R1.226 CC1=CC(=CC=N1)/C=C/C(=O)O MCULE-3248263659 [0,0,1,0,0,1|2,0,0]=4 625 B12R1.226 NC1=CC(=CC=C1)/C=C/C(=O)O MCULE-7167283449 [0,0,1,0,0,1|2,0,0]=4 626 B12R1.226 NC1=CC(=CC=C1)C=CC(=O)O MCULE-5453082320 [0,0,1,0,0,1|2,0,0]=4 627 B12R1.226 O=C(O)/C=C\C1=CC(=NC=C1)Cl MCULE-3955229529 [0,0,1,0,0,1|2,0,0]=4 628 B12R1.226 O=C(O)C=CC1=CC(=NC=C1)Cl MCULE-8435129146 [0,0,1,0,0,1|2,0,0]=4 629 B12R2.32 O=CC1=CC2=C(N1)C=CC=C2 MCULE-6191488524 [1,0,0,0,0,1|2,0,0]=4 630 B12R2.32 O=CC1=CC2=C(N1)C=CC=N2 MCULE-7947485218 [1,0,0,0,0,1|2,0,0]=4 631 B12R2.32 O=CC1=CC2=C(N1)C=CN=C2 MCULE-2783491389 [1,0,0,0,0,1|2,0,0]=4 632 B12R2.32 O=CC1=CC2=C(N1)C=NC=C2 MCULE-7090498440 [1,0,0,0,0,1|1,0,0]=3 633 B12R2.32 O=CC1=CC2=C(O1)C=NC=C2 MCULE-8398665127 [1,0,0,0,0,1|2,0,0]=4 634 B12R2.32 O=CC1=CC2=C(S1)C=NC=C2 MCULE-5213600667 [1,0,0,0,0,1|2,0,0]=4 635 B12R2.32 O=CC1=CC2=CC=CC=C2N1 MCULE-7640949276 [1,0,0,0,0,1|2,0,0]=4 636 B12R2.32 O=CC1=CC2=CC=CN=C2N1 MCULE-5010528016 [1,0,0,0,0,1|1,0,0]=3 637 B12R2.32 O=CC1=CC2=CC=CN=C2O1 MCULE-3308934309 [1,0,0,0,0,1|2,0,0]=4 638 B12R2.32 O=CC1=CC2=CC=CN=C2S1 MCULE-5686412796 [1,0,0,0,0,1|2,0,0]=4 639 B12R2.32 O=CC1=CC2=NC=CN=C2N1 MCULE-2595031306 [1,0,0,0,0,1|1,0,0]=3 640 B12R2.32 O=CC1=CC2=NC=CN=C2S1 MCULE-6386356912 [1,0,0,0,0,1|2,0,0]=4 641 B12R2.32 OCC1=CC2=C(N1)C=NC=C2 MCULE-2455541280 [1,0,0,0,0,1|1,0,1]=4 642 B12R2.32 OCC1=CC2=CC=CN=C2N1 MCULE-4114582859 [1,0,0,0,0,1|1,0,1]=4 643 B12R2.32 OCC1=CC2=CN=CN=C2N1 MCULE-8476611504 [1,0,0,0,0,1|1,0,1]=4 644 B12R2.44 O=CC1=CC2=C(C=C1)OC=N2 MCULE-5208292674 [1,0,0,0,0,1|1,1,0]=4 645 B12R2.44 O=CC1=CC2=C(C=C1)SC=C2 MCULE-7412686385 [1,0,0,0,0,1|2,0,0]=4 646 B12R2.44 O=CC1=CC2=C(C=C1)SN=N2 MCULE-8641580625 [1,0,0,0,0,1|2,0,0]=4 647 B12R2.44 O=CC1=CC2=C(C=CS2)N=C1 MCULE-9150406028 [1,0,0,0,0,1|1,0,1]=4 648 B12R2.44 O=CC1=CC2=CC=NC2=CN1 MCULE-2404788429 [1,0,0,0,0,1|1,0,0]=3 649 B12R2.44 O=CC1=CC=C2C=CSC2=C1 MCULE-2839334016 [1,0,0,0,0,1|2,0,0]=4 650 B12R2.44 O=CC1=CC=C2N=COC2=C1 MCULE-2516971257 [1,0,0,0,0,1|1,1,0]=4 651 B12R2.44 O=CC1=CC=C2N=CSC2=C1 MCULE-1050766738 [1,0,0,0,0,1|1,0,0]=3 652 B12R2.44 O=CC1=CC=C2NC=NC2=C1 MCULE-5627881195 [1,0,0,0,0,1|2,0,0]=4 653 B12R2.44 O=CC1=CC=C2SC=NC2=C1 MCULE-4034605644 [1,0,0,0,0,1|1,0,0]=3 654 B12R2.44 O=CC1=CN=C2NC=NC2=C1 MCULE-7771358438 [1,0,0,0,0,1|2,0,0]=4 655 B12R2.44 OCC1=CC2=C(C=C1)N=CS2 MCULE-5349833192 [1,0,0,0,0,1|1,0,1]=4 656 B12R2.44 OCC1=CC2=C(C=C1)SC=N2 MCULE-8074236611 [1,0,0,0,0,1|1,0,1]=4 657 B14R2.781 O=C(O)C1=CC2=C(C=NC=C2)C=N1 MCULE-3109930575 [0,0,0,0,0,2|1,0,1]=4 658 B14R2.781 O=C(O)C1=CC2=C(N=CC=N2)N=C1 MCULE-7260941452 [0,0,0,0,0,2|1,0,1]=4 659 B14R2.781 O=C(O)C1=CC2=CC=CN=C2C=C1 MCULE-4331911679 [0,0,0,0,0,2|2,0,0]=4 660 B14R2.781 O=C(O)C1=CC2=CC=CN=C2N=C1 MCULE-8932686243 [0,0,0,0,0,2|1,0,1]=4 661 B14R2.781 O=C(O)C1=CC2=CC=NC=C2C=C1 MCULE-4552792038 [0,0,0,0,0,2|2,0,0]=4 662 B14R2.781 O=C(O)C1=CC2=CC=NC=C2N=C1 MCULE-3825982210 [0,0,0,0,0,2|1,0,1]=4 663 B14R2.781 O=C(O)C1=CC2=CN=CN=C2N=C1 MCULE-2923853790 [0,0,0,0,0,2|1,0,1]=4 664 B14R2.781 O=C(O)C1=CC2=NC=CC=C2C=C1 MCULE-4209420621 [0,0,0,0,0,2|2,0,0]=4 665 B14R2.781 O=C(O)C1=CC2=NC=CC=C2N=C1 MCULE-3725305125 [0,0,0,0,0,2|2,0,0]=4 666 B14R2.781 O=C(O)C1=CC2=NC=NC=C2C=C1 MCULE-1249636608 [0,0,0,0,0,2|2,0,0]=4 667 B14R2.781 O=C(O)C1=CC=C2C=CC=NC2=N1 MCULE-1832082787 [0,0,0,0,0,2|1,0,1]=4 668 B14R2.781 O=C(O)C1=CC=C2C=CN=CC2=C1 MCULE-7146821269 [0,0,0,0,0,2|2,0,0]=4 669 B14R2.781 O=C(O)C1=CC=C2N=CC=NC2=C1 MCULE-1909036193 [0,0,0,0,0,2|2,0,0]=4 670 B14R2.781 O=C(O)C1=CC=C2N=CC=NC2=C1 MCULE-8706205255 [0,0,0,0,0,2|2,0,0]=4 671 B14R2.781 O=C(O)C1=CC=C2N=CC=NC2=N1 MCULE-8921415796 [0,0,0,0,0,2|1,0,1]=4 672 B14R2.781 O=C(O)C1=CC=C2N=CN=CC2=C1 MCULE-4652122533 [0,0,0,0,0,2|2,0,0]=4 673 B14R2.781 O=C(O)C1=CN=C2C=CN=CC2=C1 MCULE-7184055833 [0,0,0,0,0,2|2,0,0]=4 674 B14R2.781 O=C(O)C1=NC2=C(C=CN=C2)C=C1 MCULE-6486103248 [0,0,0,0,0,2|1,0,1]=4 675 B14R2.781 O=C(O)C1=NC2=NC=CC=C2C=C1 MCULE-4933871372 [0,0,0,0,0,2|1,0,1]=4 676 B14R2.781 O=C(O)C1=NC=C2N=CC=CC2=C1 MCULE-3425185450 [0,0,0,0,0,2|1,0,1]=4 677 B14R2.1008 CC(=O)NC1=CC2=C(C=C1)SC=N2 MCULE-7534203036 [0,0,0,0,0,2|2,0,0]=4 678 B14R2.1008 CC(=O)NC1=CC2=CC=NC2=CN1 MCULE-3436815997 [0,0,0,0,0,2|2,0,0]=4 679 B14R2.1008 CC(=O)NC1=CC=C2N=CSC2=C1 MCULE-1923761942 [0,0,0,0,0,2|2,0,0]=4 680 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)N=CS2 MCULE-4283277597 [0,0,0,0,0,2|1,0,0]=3 681 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)NC=N2 MCULE-9600046798 [0,0,0,0,0,2|2,0,0]=4 682 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)OC=N2 MCULE-9297047640 [0,0,0,0,0,2|1,1,0]=4 683 B14R2.1008 O=C(O)CC1=CC=C2SC=CC2=C1 MCULE-7210131524 [0,0,0,0,0,2|2,0,0]=4 684 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2N1 MCULE-4729607006 [0,0,0,0,0,2|2,0,0]=4