0 B14R1.161 CC(NCC1=C(C=CC=C1)O)C(=O)O MCULE-1574210534 [0,0,0,0,0,0|2,0,2]=4 1 B14R1.161 NC(CCC1=CC=CC=C1O)C(=O)O MCULE-2969125555 [0,0,0,0,0,0|1,0,3]=4 2 B13R1.158 CC(=O)NN=CC1=C(C=CC=C1)O MCULE-6731311774 [1,0,0,0,0,0|3,0,0]=4 3 B13R1.158 NC(=O)NN=CC1=C(C=CC=C1)O MCULE-3155009185 [1,0,0,0,0,0|3,0,0]=4 4 B13R1.158 O=C(O)CC=CC1=C(C=CC=C1)F MCULE-9599946758 [1,0,0,0,0,0|1,0,1]=3 5 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)O MCULE-6061979247 [1,0,0,0,0,0|0,0,3]=4 6 B13R1.351 C/C(=N\NC1=CC=CC=C1)/C(=O)O MCULE-6700497732 [1,0,0,0,0,0|3,0,0]=4 7 B13R1.351 CC(=NNC1=CC=CC=C1)C(=O)O MCULE-6990896251 [1,0,0,0,0,0|3,0,0]=4 8 B13R1.351 CC(=O)C(=O)OCC1=CC=CC=C1 MCULE-9377592448 [1,0,0,0,0,0|2,0,1]=4 9 B13R1.351 CN(C)C(=O)C=CC1=CC=CC=C1 MCULE-4359737866 [1,0,0,0,0,0|3,0,0]=4 10 B13R1.351 C[C@H](N)C(=O)/C=C/C1=CC=CC=C1 MCULE-3783661063 [1,0,0,0,0,0|2,0,1]=4 11 B13R1.351 N[C@@H](/C=C/C1=CC=CC=C1)C(=O)O MCULE-2838025018 [1,0,0,0,0,0|1,0,1]=3 12 B13R1.351 O=C(Cl)C(=O)CCC1=CC=CC=C1 MCULE-8520253494 [1,0,0,0,0,0|1,0,2]=4 13 B13R1.351 O=C(Cl)C(=O)OCC1=CC=CC=C1 MCULE-6681192285 [1,0,0,0,0,0|2,0,1]=4 14 B13R1.351 O=C(O)C(=O)/C=C/C1=CC=CC=C1 MCULE-4300687212 [1,0,0,0,0,0|0,0,0]=1 15 B13R1.351 O=C(O)C(=O)C=CC1=CC=CC=C1 MCULE-5360185203 [1,0,0,0,0,0|0,0,0]=1 16 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 MCULE-5355166420 [1,0,0,0,0,0|0,0,2]=3 17 B13R1.351 O=C(O)C(=O)NCC1=CC=CC=C1 MCULE-8728202129 [1,0,0,0,0,0|1,0,1]=3 18 B13R1.351 O=C(O)[C@H](O)C=CC1=CC=CC=C1 MCULE-3091019107 [1,0,0,0,0,0|0,0,2]=3 19 B13R1.528 CCC(=O)C=CC1=CC=CC=C1O MCULE-3711945225 [1,0,0,0,0,0|1,0,1]=3 20 B13R1.528 CN(C=O)N=CC1=CC=CC=C1O MCULE-7363601431 [1,0,0,0,0,0|3,0,0]=4 21 B13R1.528 COC(=O)/C=C/C1=C(C=CC=C1)Br MCULE-5767609084 [1,0,0,0,0,0|3,0,0]=4 22 B13R1.528 COC(=O)/C=C/C1=C(C=CC=C1)N MCULE-7155543494 [1,0,0,0,0,0|3,0,0]=4 23 B13R1.528 COC(=O)/C=C/C1=CC=CC=C1C MCULE-1824606875 [1,0,0,0,0,0|3,0,0]=4 24 B13R1.528 COC(=O)/C=C/C1=CC=CC=C1Cl MCULE-8104560761 [1,0,0,0,0,0|3,0,0]=4 25 B13R1.528 COC(=O)/C=C/C1=CC=CC=C1O MCULE-6173547959 [1,0,0,0,0,0|2,0,0]=3 26 B13R1.528 COC(=O)C=CC1=C(C=CC=C1)Br MCULE-7223826185 [1,0,0,0,0,0|3,0,0]=4 27 B13R1.528 COC(=O)C=CC1=C(C=CC=C1)Cl MCULE-8053077439 [1,0,0,0,0,0|3,0,0]=4 28 B13R1.528 COC(=O)C=CC1=C(C=CC=C1)F MCULE-3458418512 [1,0,0,0,0,0|3,0,0]=4 29 B13R1.528 COC(=O)C=CC1=C(C=CC=C1)O MCULE-3423058540 [1,0,0,0,0,0|2,0,0]=3 30 B13R1.528 COC(=O)C=CC1=CC=CC=C1C MCULE-4421095204 [1,0,0,0,0,0|3,0,0]=4 31 B13R1.528 COC(=O)C=CC1=CC=CC=C1N MCULE-7459293403 [1,0,0,0,0,0|3,0,0]=4 32 B13R1.528 O=C(COC1=CC=CC=C1O)NO MCULE-6803022656 [1,0,0,0,0,0|2,0,1]=4 33 B15R1.1323 COC(=O)C(=O)/C=C/C1=C(C=CC=C1)Br MCULE-6686383346 [0,1,0,0,0,0|1,0,0]=2 34 B15R1.1323 COC(=O)C(=O)C=CC1=C(C=CC=C1)Br MCULE-8924566973 [0,1,0,0,0,0|1,0,0]=2 35 B15R1.5793 N[C@H](CC(=O)C1=CC=CC=C1O)C(=O)O MCULE-9198472086 [0,1,0,0,0,0|1,0,2]=4 36 B15R1.6638 CC(C)(C)C(=O)C=CC1=C(C=CC=C1)O MCULE-1466583475 [0,1,0,0,0,0|2,0,1]=4 37 B15R1.6638 CC(C)(O)C(=O)C=CC1=CC=CC=C1Cl MCULE-5596927321 [0,1,0,0,0,0|2,0,1]=4 38 B15R2.554 O=C1C=C(OC1=O)C2=CC=CC=C2O MCULE-9782968624 [0,0,0,1,0,0|0,0,0]=1 39 B15R2.4244 CC(C(=O)O)C1=CC2=C(O1)C=CC=C2 MCULE-6766775779 [0,0,0,1,0,0|1,0,1]=3 40 B15R2.4244 CC(C(=O)O)C1=CC2=C(S1)C=CC=C2 MCULE-4524430908 [0,0,0,1,0,0|1,1,1]=4 41 B15R2.4244 CC(C)C(=O)C1=CC2=C(O1)C=CC=C2 MCULE-4921026647 [0,0,0,1,0,0|2,0,1]=4 42 B15R2.4244 CN(C)C(=O)C1=CC2=C(O1)C=CC=C2 MCULE-4602552908 [0,0,0,1,0,0|3,0,0]=4 43 B15R2.4244 O=C(C1=CC2=C(O1)C=CC=C2)C(O)O MCULE-5695158874 [0,0,0,1,0,0|0,0,2]=3 44 B15R2.4244 O=C(O)C(=O)C1=NC2=CC=CC=C2N1 MCULE-5346732327 [0,0,0,1,0,0|2,0,0]=3 45 B15R2.13598 CC1=C2N=CC(=CC2=CC=C1)C(=O)O MCULE-8133172686 [0,0,0,1,0,0|3,0,0]=4 46 B15R2.13598 CC1=CN=CC2=C1C=CC(=C2)C(=O)O MCULE-6355221227 [0,0,0,1,0,0|3,0,0]=4 47 B15R2.13598 CC1=NC=CC2=C1C=CC(=C2)C(=O)O MCULE-8857309836 [0,0,0,1,0,0|3,0,0]=4 48 B15R2.13598 NC(=O)C1=CC=C2C(=CC=CC2=C1)Br MCULE-9703377088 [0,0,0,1,0,0|3,0,0]=4 49 B15R2.13598 NC1=C2C=CC(=CC2=CC=C1)C(=O)O MCULE-5730927267 [0,0,0,1,0,0|2,0,0]=3 50 B15R2.13598 NC1=C2C=CC(=CC2=CC=N1)C(=O)O MCULE-4295551660 [0,0,0,1,0,0|3,0,0]=4 51 B15R2.13598 NC1=C2C=CC(=NC2=CC=C1)C(=O)O MCULE-2632711427 [0,0,0,1,0,0|2,0,0]=3 52 B15R2.13598 NC1=C2N=CC(=CC2=CC=C1)C(=O)O MCULE-3445563008 [0,0,0,1,0,0|3,0,0]=4 53 B15R2.13598 O=C(O)C1=CC2=C(C=C1)C(=CC=C2)Br MCULE-7363602718 [0,0,0,1,0,0|2,0,0]=3 54 B15R2.13598 O=C(O)C1=CC2=C(C=C1)C(=CN=C2)Br MCULE-6255143880 [0,0,0,1,0,0|3,0,0]=4 55 B15R2.13598 O=C(O)C1=CC2=C(C=C1)C(=NC=C2)Br MCULE-2628523637 [0,0,0,1,0,0|3,0,0]=4 56 B15R2.13598 O=C(O)C1=CC2=C(C=C1)C(=NC=C2)Cl MCULE-2409811277 [0,0,0,1,0,0|3,0,0]=4 57 B15R2.13598 O=C(O)C1=CC2=C(C=C1)C(=NC=C2)O MCULE-2168164576 [0,0,0,1,0,0|2,0,0]=3 58 B15R2.13598 O=C(O)C1=CC2=C(C=C1)C(=O)C=CO2 MCULE-7594633770 [0,0,0,1,0,0|2,0,1]=4 59 B15R2.13598 O=C(O)C1=CC2=C(N=C1)C(=CC=C2)Cl MCULE-4602286454 [0,0,0,1,0,0|3,0,0]=4 60 B15R2.13598 O=C(O)C1=CC2=C(N=C1)C(=CC=C2)F MCULE-2968774190 [0,0,0,1,0,0|3,0,0]=4 61 B15R2.13598 O=C(O)C1=CC2=C(OC1)C(=CC=C2)O MCULE-4180755839 [0,0,0,1,0,0|2,0,1]=4 62 B15R2.13598 O=C(O)C1=CC2=CC=CC(=C2C=C1)O MCULE-5948855056 [0,0,0,1,0,0|1,0,0]=2 63 B15R2.13598 O=C(O)C1=CC2=CC=CC(=C2N=C1)Br MCULE-2477851979 [0,0,0,1,0,0|3,0,0]=4 64 B15R2.13598 O=C(O)C1=CC2=CC=CC(=C2N=C1)O MCULE-3048858504 [0,0,0,1,0,0|2,0,0]=3 65 B15R2.13598 O=C(O)C1=CC2=CC=CC(=C2N=C1)O MCULE-3872543124 [0,0,0,1,0,0|2,0,0]=3 66 B15R2.13598 O=C(O)C1=CC=C2C(=CC=CC2=C1)Cl MCULE-2371499546 [0,0,0,1,0,0|2,0,0]=3 67 B15R2.13598 O=C(O)C1=CC=C2C(=CC=CC2=N1)O MCULE-2981525594 [0,0,0,1,0,0|1,0,0]=2 68 B15R2.13598 O=C(O)C1=CC=C2C(=CC=NC2=C1)Cl MCULE-5899384410 [0,0,0,1,0,0|3,0,0]=4 69 B15R2.13598 O=C(O)C1=CC=C2C(=CC=NC2=C1)O MCULE-9091320989 [0,0,0,1,0,0|2,0,0]=3 70 B15R2.13598 O=C(O)C1=CC=C2C(=O)C=CC=C2N1 MCULE-7331201547 [0,0,0,1,0,0|1,0,1]=3 71 B15R2.13598 O=C(O)C1=NC2=CC=CC(=C2C=C1)Br MCULE-1658889283 [0,0,0,1,0,0|2,0,0]=3 72 B15R2.13598 O=C(O)C1=NC2=CC=CC(=C2C=C1)Cl MCULE-7636906324 [0,0,0,1,0,0|2,0,0]=3 73 B15R2.13598 O=C(O)C1=NC2=CC=CC(=C2C=C1)F MCULE-3658805630 [0,0,0,1,0,0|2,0,0]=3 74 B15R2.13598 [NH3+]C1=CC=CC2=C1C=CC(=N2)C(=O)O MCULE-7415649241 [0,0,0,1,0,0|2,0,0]=3 75 B13R1.202 CC(=CC1=C(C=CC=C1)Cl)C(=O)O MCULE-1555061198 [0,0,0,0,1,0|2,0,0]=3 76 B13R1.202 CC(=CC1=C(C=CC=C1)F)C(=O)O MCULE-6968839763 [0,0,0,0,1,0|2,0,0]=3 77 B13R1.202 CC(=O)C(=O)CC1=C(C=CC=C1)F MCULE-3380026143 [0,0,0,0,1,0|2,0,1]=4 78 B13R1.202 CC(=O)C(=O)NC1=C(C=CC=C1)C MCULE-5710100372 [0,0,0,0,1,0|3,0,0]=4 79 B13R1.202 CC1=CC=CC=C1NC(=O)C(=O)O MCULE-4521627182 [0,0,0,0,1,0|2,0,0]=3 80 B13R1.202 NC(=O)C(=O)NC1=CC=CC=C1Cl MCULE-5643168560 [0,0,0,0,1,0|3,0,0]=4 81 B13R1.202 NC(=O)C(=O)NC1=CC=CC=C1F MCULE-1250177509 [0,0,0,0,1,0|3,0,0]=4 82 B13R1.202 NC(CC1=C(C=CC=C1)O)C(=O)O MCULE-2760582536 [0,0,0,0,1,0|1,0,2]=4 83 B13R1.202 NC(CC1=C(C=CC=C1)O)C(=O)O MCULE-3181624921 [0,0,0,0,1,0|1,0,2]=4 84 B13R1.202 NC(CC1=CC=CC=C1O)C(=O)O MCULE-3693150441 [0,0,0,0,1,0|1,0,2]=4 85 B13R1.202 NC(CC1=CC=CC=C1O)C(=O)O MCULE-8522650891 [0,0,0,0,1,0|1,0,2]=4 86 B13R1.202 N[C@@H](CC1=CC=CC=C1O)C(=O)O MCULE-3324530063 [0,0,0,0,1,0|1,0,2]=4 87 B13R1.202 N[C@@H](CC1=CC=CC=C1O)C(=O)O MCULE-4252485679 [0,0,0,0,1,0|1,0,2]=4 88 B13R1.202 N[C@@H](CC1=CC=CC=C1O)C(=O)O MCULE-8738209502 [0,0,0,0,1,0|1,0,2]=4 89 B13R1.202 N[C@@H](CC1=CC=CC=C1O)C(=O)O MCULE-9497377193 [0,0,0,0,1,0|1,0,2]=4 90 B13R1.202 N[C@H](CC1=CC=CC=C1O)C(=O)O MCULE-2348504704 [0,0,0,0,1,0|1,0,2]=4 91 B13R1.202 N[C@H](CC1=CC=CC=C1O)C(=O)O MCULE-8147742693 [0,0,0,0,1,0|1,0,2]=4 92 B13R1.202 O=C(O)C(=O)CC1=CC=CC=C1Cl MCULE-3144815997 [0,0,0,0,1,0|1,0,1]=3 93 B13R1.202 O=C(O)C(=O)NC1=CC=CC=C1Cl MCULE-7962863693 [0,0,0,0,1,0|2,0,0]=3 94 B13R1.202 O=C(O)C(=O)NC1=CC=CC=C1F MCULE-5243407306 [0,0,0,0,1,0|2,0,0]=3 95 B13R1.202 O=C(O)C(=O)NC1=CC=CC=C1O MCULE-1410097283 [0,0,0,0,1,0|1,0,0]=2 96 B15R1.257 CC(O)C(=O)NN=CC1=C(C=CC=C1)O MCULE-7777162348 [0,0,0,0,0,1|2,0,1]=4 97 B15R1.257 NC(=O)C(=O)NN=CC1=C(C=CC=C1)Br MCULE-9959531553 [0,0,0,0,0,1|3,0,0]=4 98 B15R1.257 NC(=O)C(=O)NN=CC1=C(C=CC=C1)Cl MCULE-4318894524 [0,0,0,0,0,1|3,0,0]=4 99 B15R1.257 NC(=O)C(=O)NN=CC1=CC=CC=C1F MCULE-3087213832 [0,0,0,0,0,1|3,0,0]=4 100 B12R1.252 CC(=CC=CC1=CC=CC=C1)C MCULE-5833999233 [2,0,0,0,0,0|2,0,0]=4 101 B12R1.252 CC(=O)/C=C/NC1=CC=CC=C1 MCULE-3845007734 [2,0,0,0,0,0|2,0,0]=4 102 B12R1.252 CC(=O)C=CNC1=CC=CC=C1 MCULE-8741762191 [2,0,0,0,0,0|2,0,0]=4 103 B12R1.252 CC(=O)C=CSC1=CC=CC=C1 MCULE-3075772886 [2,0,0,0,0,0|2,0,0]=4 104 B12R1.252 O=C(O)C/C=C/C1=CC=CC=C1 MCULE-5944027373 [2,0,0,0,0,0|0,0,1]=3 105 B12R1.252 O=C(O)C=CCC1=CC=CC=C1 MCULE-5534408884 [2,0,0,0,0,0|0,0,1]=3 106 B12R1.252 O=C(O)C=CSC1=CC=CC=C1 MCULE-6409148074 [2,0,0,0,0,0|1,0,0]=3 107 B12R1.252 O=C(O)CC=CC1=CC=CC=C1 MCULE-4504838602 [2,0,0,0,0,0|0,0,1]=3 108 B12R1.252 O=C([O-])C=CSC1=CC=CC=C1 MCULE-6287638624 [2,0,0,0,0,0|1,0,1]=4 109 B12R1.267 O=CNN=CC1=CC=CC=C1O MCULE-8186759372 [2,0,0,0,0,0|2,0,0]=4 110 B12R1.27 C/C(=N/O)/C=C/C1=CC=CC=C1 MCULE-1994376123 [2,0,0,0,0,0|2,0,0]=4 111 B12R1.27 CC(=NO)C=CC1=CC=CC=C1 MCULE-5760575133 [2,0,0,0,0,0|2,0,0]=4 112 B12R1.27 CNC(=O)C=CC1=CC=CC=C1 MCULE-9520300155 [2,0,0,0,0,0|2,0,0]=4 113 B12R1.27 COC(=O)/C=C/C1=CC=CC=C1 MCULE-2483911454 [2,0,0,0,0,0|2,0,0]=4 114 B12R1.27 COC(=O)C=CC1=CC=CC=C1 MCULE-1030097873 [2,0,0,0,0,0|2,0,0]=4 115 B12R1.27 N#CC(=O)/C=C/C1=CC=CC=C1 MCULE-3470946498 [2,0,0,0,0,0|1,0,1]=4 116 B12R1.27 NNC(=O)C=CC1=CC=CC=C1 MCULE-3366212941 [2,0,0,0,0,0|2,0,0]=4 117 B12R1.27 O=C(C=CC1=CC=CC=C1)NO MCULE-6631204989 [2,0,0,0,0,0|1,0,0]=3 118 B12R1.27 O=CC(=O)OCC1=CC=CC=C1 MCULE-4022615260 [2,0,0,0,0,0|1,0,1]=4 119 B12R1.125 CC(=O)/C=C/C1=C(C=CC=C1)O MCULE-1868506557 [2,0,0,0,0,0|0,0,1]=3 120 B12R1.125 CC(=O)/C=C/C1=CC=CC=C1Cl MCULE-8236771911 [2,0,0,0,0,0|1,0,1]=4 121 B12R1.125 CC(=O)/C=C/C1=CC=CC=C1F MCULE-9468205773 [2,0,0,0,0,0|1,0,1]=4 122 B12R1.125 CC(=O)C=CC1=C(C=CC=C1)F MCULE-8723109907 [2,0,0,0,0,0|1,0,1]=4 123 B12R1.125 CC(=O)C=CC1=C(C=CC=C1)O MCULE-7363785356 [2,0,0,0,0,0|0,0,1]=3 124 B12R1.125 CC(=O)C=CC1=CC=CC=C1Cl MCULE-4806232592 [2,0,0,0,0,0|1,0,1]=4 125 B12R1.125 CC1=C(C=CC=C1)C=CC(=O)N MCULE-6358361236 [2,0,0,0,0,0|2,0,0]=4 126 B12R1.125 CC1=C(C=NC=C1)C=CC(=O)O MCULE-1492169042 [2,0,0,0,0,0|2,0,0]=4 127 B12R1.125 CC1=C(C=NC=C1)C=CC(=O)O MCULE-5135224370 [2,0,0,0,0,0|2,0,0]=4 128 B12R1.125 CC1=C(N=CC=C1)C=CC(=O)O MCULE-2497119427 [2,0,0,0,0,0|2,0,0]=4 129 B12R1.125 CC1=C(N=CC=C1)C=CC(=O)O MCULE-3158859403 [2,0,0,0,0,0|2,0,0]=4 130 B12R1.125 CC1=CC=CC=C1/C=C/C(=O)Cl MCULE-9226637615 [2,0,0,0,0,0|2,0,0]=4 131 B12R1.125 CC1=CC=CC=C1/C=C/C(=O)O MCULE-4568393226 [2,0,0,0,0,0|1,0,0]=3 132 B12R1.125 CC1=CC=CC=C1C=CC(=O)Cl MCULE-4237925880 [2,0,0,0,0,0|2,0,0]=4 133 B12R1.125 CC1=CC=CC=C1C=CC(=O)O MCULE-7568109044 [2,0,0,0,0,0|1,0,0]=3 134 B12R1.125 CC1=NC=CC=C1/C=C/C(=O)O MCULE-4255573583 [2,0,0,0,0,0|2,0,0]=4 135 B12R1.125 NC(=O)C=CC1=CC=CC=C1F MCULE-2172697582 [2,0,0,0,0,0|2,0,0]=4 136 B12R1.125 NC1=C(C=CC=C1)C=CC(=O)O MCULE-1813623710 [2,0,0,0,0,0|1,0,0]=3 137 B12R1.125 NC1=C(C=CC=N1)C=CC(=O)O MCULE-2950226173 [2,0,0,0,0,0|2,0,0]=4 138 B12R1.125 NC1=CC=NC=C1C=CC(=O)O MCULE-4130517568 [2,0,0,0,0,0|2,0,0]=4 139 B12R1.125 NC1=NC=CC=C1/C=C/C(=O)O MCULE-3009837322 [2,0,0,0,0,0|2,0,0]=4 140 B12R1.125 O=C(Cl)/C=C/C1=CC=CC=C1Br MCULE-3422484205 [2,0,0,0,0,0|2,0,0]=4 141 B12R1.125 O=C(Cl)/C=C/C1=CC=CC=C1Cl MCULE-7361464496 [2,0,0,0,0,0|2,0,0]=4 142 B12R1.125 O=C(Cl)/C=C/C1=CC=CC=C1F MCULE-1295850260 [2,0,0,0,0,0|2,0,0]=4 143 B12R1.125 O=C(Cl)C=CC1=CC=CC=C1Br MCULE-4696622547 [2,0,0,0,0,0|2,0,0]=4 144 B12R1.125 O=C(Cl)C=CC1=CC=CC=C1Cl MCULE-6059726442 [2,0,0,0,0,0|2,0,0]=4 145 B12R1.125 O=C(Cl)C=CC1=CC=CC=C1F MCULE-1613831825 [2,0,0,0,0,0|2,0,0]=4 146 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)Br MCULE-9715214740 [2,0,0,0,0,0|1,0,0]=3 147 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)F MCULE-5550079587 [2,0,0,0,0,0|1,0,0]=3 148 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)O MCULE-5451854573 [2,0,0,0,0,0|0,0,0]=2 149 B12R1.125 O=C(O)/C=C/C1=C(C=NC=C1)F MCULE-4119074797 [2,0,0,0,0,0|2,0,0]=4 150 B12R1.125 O=C(O)/C=C/C1=CC=CC=C1Cl MCULE-6586897772 [2,0,0,0,0,0|1,0,0]=3 151 B12R1.125 O=C(O)/C=C/C1=CC=CC=C1I MCULE-4367628203 [2,0,0,0,0,0|1,0,0]=3 152 B12R1.125 O=C(O)C=CC1=C(C=CC=C1)Br MCULE-1992481262 [2,0,0,0,0,0|1,0,0]=3 153 B12R1.125 O=C(O)C=CC1=C(C=CC=C1)F MCULE-2337664175 [2,0,0,0,0,0|1,0,0]=3 154 B12R1.125 O=C(O)C=CC1=C(C=CC=C1)I MCULE-8228854548 [2,0,0,0,0,0|1,0,0]=3 155 B12R1.125 O=C(O)C=CC1=C(C=CC=C1)O MCULE-7485332494 [2,0,0,0,0,0|0,0,0]=2 156 B12R1.125 O=C(O)C=CC1=C(C=NC=C1)F MCULE-2071172197 [2,0,0,0,0,0|2,0,0]=4 157 B12R1.125 O=C(O)C=CC1=CC=CC=C1Cl MCULE-7865645572 [2,0,0,0,0,0|1,0,0]=3 158 B12R1.125 O=C(O)CCC1=C(C=CC=C1)O MCULE-1055140821 [2,0,0,0,0,0|0,0,2]=4 159 B12R1.125 O=C(O)COC1=CC=CC=C1O MCULE-3539626165 [2,0,0,0,0,0|1,0,1]=4 160 B12R1.125 O=C(O)CSC1=C(C=CC=C1)O MCULE-9851363930 [2,0,0,0,0,0|1,0,1]=4 161 B12R1.125 O=N(=O)/C=C/C1=C(C=CC=C1)Cl MCULE-2525845036 [2,0,0,0,0,0|2,0,0]=4 162 B12R1.125 O=N(=O)/C=C/C1=CC=CC=C1Br MCULE-1427585255 [2,0,0,0,0,0|2,0,0]=4 163 B12R1.125 O=N(=O)/C=C/C1=CC=CC=C1F MCULE-8749551065 [2,0,0,0,0,0|2,0,0]=4 164 B14R1.96 COC1=C(C=CC=C1)C=CCC(=O)O MCULE-4833292790 [1,1,0,0,0,0|0,0,1]=3 165 B14R1.160 CC1=CC=CC=C1C(=O)C=CC(=O)O MCULE-1154700170 [1,1,0,0,0,0|1,0,0]=3 166 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=C1)O MCULE-5194764394 [1,1,0,0,0,0|1,0,1]=4 167 B14R1.337 O=C(O)CC(=O)NC1=CC=CC=C1O MCULE-8843399138 [1,1,0,0,0,0|1,0,1]=4 168 B14R1.837 COC(=O)NN=CC1=CC=CC=C1O MCULE-8791840909 [1,1,0,0,0,0|2,0,0]=4 169 B14R1.837 O=C(CO)NN=CC1=CC=CC=C1O MCULE-2756424720 [1,1,0,0,0,0|2,0,0]=4 170 B14R1.4464 O=C(O)CC=CC1=C(C=C(C=C1)F)F MCULE-9044702043 [1,1,0,0,0,0|1,0,1]=4 171 B14R1.4464 O=C(O)CN=CC1=C(C=C(C=C1)O)O MCULE-1393417872 [1,1,0,0,0,0|1,0,1]=4 172 B14R1.415 C=C(CC(=O)C1=CC=CC=C1)C(=O)O MCULE-4853546501 [1,1,0,0,0,0|1,0,1]=4 173 B14R1.415 NC(=O)C(=CC(=O)C1=CC=CC=C1)O MCULE-1777248570 [1,1,0,0,0,0|1,0,1]=4 174 B14R1.415 O=C(O)C(=CC(=O)C1=CC=CC=C1)O MCULE-1085026176 [1,1,0,0,0,0|0,0,1]=3 175 B14R1.415 O=C(O)C(=O)CC(=O)C1=CC=CC=C1 MCULE-2511482745 [1,1,0,0,0,0|0,0,1]=3 176 B14R1.415 O=C(O)C(=O)CC(=O)C1=CC=CN=C1 MCULE-1902418859 [1,1,0,0,0,0|1,0,1]=4 177 B14R1.415 O=C(O)C(=O)CC(=O)C1=CC=NC=C1 MCULE-5649903364 [1,1,0,0,0,0|1,0,1]=4 178 B14R1.425 CC(CC1=CC=CC=C1)C(=O)C(=O)O MCULE-6105727532 [1,1,0,0,0,0|0,0,2]=4 179 B14R1.679 O=C(O)C(=O)C=CC1=CC=C(C=C1)Br MCULE-3334163583 [1,1,0,0,0,0|0,0,0]=2 180 B14R1.679 O=C(O)C(=O)C=CC1=CC=C(C=C1)Cl MCULE-6050164295 [1,1,0,0,0,0|0,0,0]=2 181 B14R1.679 O=C(O)C(=O)NCC1=CC=C(C=C1)F MCULE-1132731064 [1,1,0,0,0,0|1,0,1]=4 182 B14R1.756 CN(CO)C(=O)C=CC1=CC=CC=C1 MCULE-2306220141 [1,1,0,0,0,0|2,0,0]=4 183 B14R1.756 COC(=O)C(=O)/C=C/C1=CC=CC=C1 MCULE-4810975389 [1,1,0,0,0,0|0,0,0]=2 184 B14R1.756 COC(=O)C(=O)C#CC1=CC=CC=C1 MCULE-9158757169 [1,1,0,0,0,0|0,0,2]=4 185 B14R1.756 COC(=O)C(=O)C=CC1=CC=CC=C1 MCULE-5484407357 [1,1,0,0,0,0|0,0,0]=2 186 B14R1.756 COC(=O)C(=O)CCC1=CC=CC=C1 MCULE-9041757992 [1,1,0,0,0,0|0,0,2]=4 187 B14R1.756 COC(=O)C(N)C=CC1=CC=CC=C1 MCULE-4862294383 [1,1,0,0,0,0|1,0,1]=4 188 B14R1.756 COC(=O)C(N)C=CC1=CC=CC=C1 MCULE-7254853592 [1,1,0,0,0,0|1,0,1]=4 189 B14R1.756 COC(=O)[C@@H](N)C=CC1=CC=CC=C1 MCULE-2922617478 [1,1,0,0,0,0|1,0,1]=4 190 B14R1.756 COC(=O)[C@@H](N)C=CC1=CC=CC=C1 MCULE-5942955005 [1,1,0,0,0,0|1,0,1]=4 191 B14R1.756 COC(=O)[C@@H](N)C=CC1=CC=CC=C1 MCULE-6556225841 [1,1,0,0,0,0|1,0,1]=4 192 B14R1.756 COC(=O)[C@@H](N)C=CC1=CC=CC=C1 MCULE-6672906900 [1,1,0,0,0,0|1,0,1]=4 193 B14R1.756 CON(C)C(=O)C=CC1=CC=CC=C1 MCULE-8680806908 [1,1,0,0,0,0|2,0,0]=4 194 B14R1.3099 CC(C)(O)C(=O)/C=C/C1=CC=CC=C1 MCULE-1618677052 [1,1,0,0,0,0|1,0,1]=4 195 B14R1.3099 CC(C)(O)C(=O)C=CC1=CC=CC=C1 MCULE-5792974482 [1,1,0,0,0,0|1,0,1]=4 196 B14R1.5956 CC(/C=C/C1=CC(=CC=C1)O)C(=O)O MCULE-5265396690 [1,1,0,0,0,0|1,0,1]=4 197 B14R1.598 CCOC(=O)/C=C/C1=C(C=CC=C1)O MCULE-3540067788 [1,1,0,0,0,0|1,0,1]=4 198 B14R1.598 CCOC(=O)C=CC1=C(C=CC=C1)O MCULE-9512029862 [1,1,0,0,0,0|1,0,1]=4 199 B14R1.820 COC(=O)/C=C/C1=C(C=CC(=C1)O)O MCULE-1327640373 [1,1,0,0,0,0|2,0,0]=4 200 B14R1.820 COC(=O)/C=C\C1=C(C=CC(=C1)O)O MCULE-6860800332 [1,1,0,0,0,0|2,0,0]=4 201 B14R1.820 COC(=O)C=CC1=C(C=CC(=C1)O)O MCULE-6517390288 [1,1,0,0,0,0|2,0,0]=4 202 B14R1.863 COC(=O)/C=C/C1=CC=CC=C1OC MCULE-6024196941 [1,1,0,0,0,0|2,0,0]=4 203 B14R1.863 COC(=O)C=CC1=C(C=CC=C1)OC MCULE-6051574258 [1,1,0,0,0,0|2,0,0]=4 204 B14R1.153 CC1=C(C(=CC=C1)NC(=O)C(=O)O)C MCULE-4206547556 [0,1,0,0,1,0|2,0,0]=4 205 B14R1.550 N#C/C(=C\C1=CC=CC=C1Cl)/C(=O)O MCULE-4108150793 [0,1,0,0,1,0|2,0,0]=4 206 B14R1.550 N#CC(=CC1=C(C=CC=C1)Cl)C(=O)O MCULE-2947025218 [0,1,0,0,1,0|2,0,0]=4 207 B14R1.550 N#CC(=CC1=C(C=CC=C1)F)C(=O)O MCULE-3813496594 [0,1,0,0,1,0|2,0,0]=4 208 B14R1.3135 CCC1=CC=CC=C1NC(=O)C(=O)O MCULE-6096815107 [0,1,0,0,1,0|2,0,0]=4 209 B14R1.3135 COC1=C(C=CC=C1)NC(=O)C(=O)N MCULE-5207830621 [0,1,0,0,1,0|2,0,0]=4 210 B14R1.3135 COC1=C(C=CC=C1)NC(=O)C(=O)O MCULE-2803941488 [0,1,0,0,1,0|1,0,0]=3 211 B14R1.3135 COC1=CC=CC=C1CC(=O)C(=O)O MCULE-7948713545 [0,1,0,0,1,0|0,0,1]=3 212 B14R1.4474 CC1=CC=C(C(=C1)NC(=O)C(=O)O)C MCULE-8306355864 [0,1,0,0,1,0|2,0,0]=4 213 B14R1.4474 CC1=CC=C(C=C1NC(=O)C(=O)O)Cl MCULE-3492365591 [0,1,0,0,1,0|2,0,0]=4 214 B14R1.5971 CC1=CC=CC(=C1NC(=O)C(=O)O)C MCULE-8868647768 [0,1,0,0,1,0|2,0,0]=4 215 B14R1.5971 O=C(O)C(=O)NC1=C(C=CC=C1F)F MCULE-2237350286 [0,1,0,0,1,0|2,0,0]=4 216 B14R1.6049 CC1=CC(=C(C=C1)NC(=O)C(=O)O)C MCULE-4097045182 [0,1,0,0,1,0|2,0,0]=4 217 B14R1.6049 O=C(O)C(=O)CC1=C(C=C(C=C1)F)F MCULE-9470090897 [0,1,0,0,1,0|1,0,1]=4 218 B14R1.6049 O=C(O)C(=O)NC1=CC=C(C=C1Cl)Cl MCULE-8352985906 [0,1,0,0,1,0|2,0,0]=4 219 B14R1.6049 O=C(O)C(=O)NC1=CC=C(C=C1F)F MCULE-2501289787 [0,1,0,0,1,0|2,0,0]=4 220 B16R1.56 COC1=CC=CC=C1C=CC(=O)NC(=S)N MCULE-1630999270 [0,1,0,0,0,1|1,1,0]=4 221 B16R1.6945 CNC(=O)C(=O)NN=CC1=C(C=CC=C1)O MCULE-1716223671 [0,1,0,0,0,1|2,0,0]=4 222 B16R1.7413 CC(=CC(=O)NC1=C(C=CC=C1)Cl)C(=O)O MCULE-9163223513 [0,1,0,0,0,1|2,0,0]=4 223 B16R1.7413 CC(=CC(=O)NC1=CC=CC=C1C)C(=O)O MCULE-2197365852 [0,1,0,0,0,1|2,0,0]=4 224 B16R1.7491 NC(=O)C(=O)NN=CC1=C(C=CC(=C1)Br)O MCULE-9656675567 [0,1,0,0,0,1|2,0,0]=4 225 B16R1.7491 NC(=O)C(=O)NN=CC1=CC(=CC=C1O)O MCULE-6634971050 [0,1,0,0,0,1|2,0,0]=4 226 B16R1.1368 COC1=C(C=CC=C1)C=CC(=O)N(C)OC MCULE-1049666870 [0,2,0,0,0,0|2,0,0]=4 227 B16R1.5566 COC1=C(C=CC=C1)C(=CC(=O)C(=O)[O-])[O-] MCULE-6377823557 [0,2,0,0,0,0|0,0,1]=3 228 B16R1.5566 COC1=C(C=CC=C1)C(=CC(=O)C(=O)[O-])[O-] MCULE-9532450557 [0,2,0,0,0,0|0,0,1]=3 229 B16R1.5566 COC1=C(C=CC=C1)C(=O)CC(=O)C(=O)O MCULE-4847138247 [0,2,0,0,0,0|0,0,1]=3 230 B16R1.16904 COC(=O)/C(=C/C(=O)C1=C(C=CC=C1)F)/[O-] MCULE-3265607453 [0,2,0,0,0,0|1,0,1]=4 231 B16R1.16904 COC(=O)/C(=C/C(=O)C1=C(C=CC=C1)F)/[O-] MCULE-7897213038 [0,2,0,0,0,0|1,0,1]=4 232 B16R1.16904 COC(=O)C(=O)CC(=O)C1=C(C=CC=C1)C MCULE-8570821476 [0,2,0,0,0,0|1,0,1]=4 233 B16R1.16904 COC(=O)C(=O)CC(=O)C1=C(C=CC=C1)Cl MCULE-8517299782 [0,2,0,0,0,0|1,0,1]=4 234 B16R1.16904 COC(=O)C(=O)CC(=O)C1=C(C=CC=C1)O MCULE-3809609595 [0,2,0,0,0,0|0,0,1]=3 235 B16R1.16904 COC(=O)C(=O)CC(=O)C1=CC=CC=C1Br MCULE-7072430852 [0,2,0,0,0,0|1,0,1]=4 236 B16R1.16904 COC(=O)C(=O)CC(=O)C1=CC=CC=C1F MCULE-9482180973 [0,2,0,0,0,0|1,0,1]=4 237 B16R1.11441 O=C(O)C(=O)CC(=O)C1=C(C=C(C=C1)Cl)Cl MCULE-4428751036 [0,2,0,0,0,0|1,0,1]=4 238 B16R1.54270 CC1=CC=CC(=C1C(=O)C=C(O)C(=O)O)C MCULE-8113680703 [0,2,0,0,0,0|1,0,1]=4 239 B14R1.6449 CC(=CC=CC1=CC=CC=C1)C(=O)O MCULE-2936952313 [0,0,1,1,0,0|2,0,0]=4 240 B14R1.43 C=CC1=CC(=CC=C1C(=O)O)C(=O)O MCULE-6134775818 [0,0,1,1,0,0|2,0,0]=4 241 B14R1.41 COC1=CC(=CC=C1O)C(=O)C(=O)O MCULE-8004641058 [0,0,1,1,0,0|1,0,1]=4 242 B14R2.256 CC1=CC=C(O1)C2=C(C=CC=C2)N MCULE-4382675224 [1,0,0,1,0,0|2,0,0]=4 243 B14R2.256 CC1=CC=C(O1)C2=CC=CC=C2N MCULE-4084465873 [1,0,0,1,0,0|2,0,0]=4 244 B14R2.768 O=C(O)C=C1CC2=C(C1)C=CC=C2 MCULE-4536384017 [1,0,0,1,0,0|1,0,1]=4 245 B14R2.768 O=C(O)CC1=CC2=C(C1)C=CC=C2 MCULE-1605864133 [1,0,0,1,0,0|1,0,1]=4 246 B14R2.768 O=C(O)CC1=CC2=C(O1)C=CC=C2 MCULE-7483137348 [1,0,0,1,0,0|0,0,1]=3 247 B14R2.768 O=C(O)CC1=CC2=C(S1)C=CC=C2 MCULE-5364780227 [1,0,0,1,0,0|0,1,1]=4 248 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2N1 MCULE-4729607006 [1,0,0,1,0,0|1,0,1]=4 249 B14R2.768 O=C(O)CC1=NC2=C(O1)C=CC=C2 MCULE-1092567340 [1,0,0,1,0,0|1,0,1]=4 250 B14R2.781 CC(=O)C1=CC=C2C=CC=CC2=C1 MCULE-6310986994 [1,0,0,1,0,0|2,0,0]=4 251 B14R2.781 CC(=O)C1=NC2=C(C=CC=C2)C=C1 MCULE-1294039741 [1,0,0,1,0,0|2,0,0]=4 252 B14R2.781 NC(=O)C1=CC2=C(C=CC=C2)C=C1 MCULE-6174673409 [1,0,0,1,0,0|2,0,0]=4 253 B14R2.781 NC(=O)C1=NC2=C(C=CC=C2)C=C1 MCULE-2393217684 [1,0,0,1,0,0|2,0,0]=4 254 B14R2.781 O=C(Cl)C1=CC2=C(C=CC=C2)C=C1 MCULE-4548174169 [1,0,0,1,0,0|2,0,0]=4 255 B14R2.781 O=C(Cl)C1=NC2=CC=CC=C2C=C1 MCULE-1080725506 [1,0,0,1,0,0|2,0,0]=4 256 B14R2.781 O=C(F)C1=CC2=CC=CC=C2C=C1 MCULE-9686798733 [1,0,0,1,0,0|2,0,0]=4 257 B14R2.781 O=C(O)C1=CC2=C(C=CC=C2)C=C1 MCULE-3354461241 [1,0,0,1,0,0|1,0,0]=3 258 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 MCULE-2962946769 [1,0,0,1,0,0|2,0,0]=4 259 B14R2.781 O=C(O)C1=CC2=CC=CN=C2C=C1 MCULE-4331911679 [1,0,0,1,0,0|2,0,0]=4 260 B14R2.781 O=C(O)C1=CC2=CC=NC=C2C=C1 MCULE-4552792038 [1,0,0,1,0,0|2,0,0]=4 261 B14R2.781 O=C(O)C1=CC2=NC=CC=C2C=C1 MCULE-4209420621 [1,0,0,1,0,0|2,0,0]=4 262 B14R2.781 O=C(O)C1=CC=C2C=CC=NC2=N1 MCULE-1832082787 [1,0,0,1,0,0|2,0,0]=4 263 B14R2.781 O=C(O)C1=CC=C2C=CN=CC2=C1 MCULE-7146821269 [1,0,0,1,0,0|2,0,0]=4 264 B14R2.781 O=C(O)C1=CN=C2C=CC=CC2=C1 MCULE-1429611341 [1,0,0,1,0,0|2,0,0]=4 265 B14R2.781 O=C(O)C1=COC2=C(O1)C=CC=C2 MCULE-9070614651 [1,0,0,1,0,0|1,0,0]=3 266 B14R2.781 O=C(O)C1=NC2=C(C=C1)C=NC=C2 MCULE-2279554828 [1,0,0,1,0,0|2,0,0]=4 267 B14R2.781 O=C(O)C1=NC2=C(C=CC=C2)C=C1 MCULE-2227588326 [1,0,0,1,0,0|1,0,0]=3 268 B14R2.781 O=C(O)C1=NC2=C(C=CC=C2)N=C1 MCULE-5899905894 [1,0,0,1,0,0|2,0,0]=4 269 B14R2.781 O=C(O)C1=NC2=C(C=CN=C2)C=C1 MCULE-6486103248 [1,0,0,1,0,0|2,0,0]=4 270 B14R2.781 O=C(O)C1=NC2=CC=CC=C2C=C1 MCULE-3726057149 [1,0,0,1,0,0|1,0,0]=3 271 B14R2.781 O=C(O)C1=NC2=CC=CC=C2C=N1 MCULE-9517425420 [1,0,0,1,0,0|2,0,0]=4 272 B14R2.781 O=C(O)C1=NC2=CC=CN=C2C=C1 MCULE-1219990264 [1,0,0,1,0,0|2,0,0]=4 273 B14R2.781 O=C(O)C1=NC2=NC=CC=C2C=C1 MCULE-4933871372 [1,0,0,1,0,0|2,0,0]=4 274 B14R2.781 O=C(O)C1=NC=C2C=CC=CC2=N1 MCULE-8341493527 [1,0,0,1,0,0|2,0,0]=4 275 B14R2.781 O=C(O)C1C=CC2=CC=CC=C2C1 MCULE-7232750004 [1,0,0,1,0,0|1,0,1]=4 276 B14R2.781 O=C([O-])C1=CC=C2C=CC=CC2=C1 MCULE-6940210490 [1,0,0,1,0,0|1,0,1]=4 277 B14R2.781 O=C([O-])C1=CC=C2C=CC=CC2=N1 MCULE-8007241912 [1,0,0,1,0,0|1,0,1]=4 278 B14R2.781 O=S(O)C1=CC2=C(C=CC=C2)C=C1 MCULE-8888904557 [1,0,0,1,0,0|2,0,0]=4 279 B14R2.8032 CC1=C2OC=C(C2=CC=C1)C(=O)O MCULE-8441930736 [1,0,0,1,0,0|2,0,0]=4 280 B14R2.8032 CC1=CC=CC2=C1NC=C2C(=O)O MCULE-4467976608 [1,0,0,1,0,0|2,0,0]=4 281 B14R2.8032 NC1=CC=CN2C1=CC=C2C(=O)O MCULE-8049574993 [1,0,0,1,0,0|2,0,0]=4 282 B14R2.8032 O=C(O)C1=CC=C2N1C=CC=C2Br MCULE-2192635272 [1,0,0,1,0,0|2,0,0]=4 283 B14R2.8032 O=C(O)C1=CNC2=C(C=CN=C12)O MCULE-3088212763 [1,0,0,1,0,0|2,0,0]=4 284 B14R2.8032 O=C(O)C1=CNC2=C(N=CC=C12)O MCULE-5409290903 [1,0,0,1,0,0|2,0,0]=4 285 B14R2.8032 O=C(O)C1=CNC2=C1C=CC=C2Br MCULE-6430212170 [1,0,0,1,0,0|2,0,0]=4 286 B14R2.8032 O=C(O)C1=CNC2=C1C=CC=C2Cl MCULE-1873289033 [1,0,0,1,0,0|2,0,0]=4 287 B14R2.8032 O=C(O)C1=CNC2=C1C=CC=C2F MCULE-9199697501 [1,0,0,1,0,0|2,0,0]=4 288 B14R2.8032 O=C(O)C1=CNC2=C1C=CC=C2O MCULE-9287204172 [1,0,0,1,0,0|1,0,0]=3 289 B14R2.8032 O=C(O)C1=COC2=C1C=CC=C2Br MCULE-3519085911 [1,0,0,1,0,0|2,0,0]=4 290 B14R2.8032 O=C(O)C1=COC2=C1C=CC=C2F MCULE-3931132626 [1,0,0,1,0,0|2,0,0]=4 291 B14R2.8032 O=C(O)C1=CSC2=C1C=CC=C2Br MCULE-6089959946 [1,0,0,1,0,0|2,0,0]=4 292 B14R2.8032 O=C(O)C1=CSC2=C1C=CC=C2F MCULE-6259093087 [1,0,0,1,0,0|2,0,0]=4 293 B14R2.8032 O=C(O)C1=NNC2=C1C=CC=C2O MCULE-3880639889 [1,0,0,1,0,0|2,0,0]=4 294 B14R2.741 O=C1C=C2C=CC=CC2=CC=C1O MCULE-6744656975 [1,0,0,1,0,0|1,0,1]=4 295 B14R2.972 CC(=NO)C1=CC2=C(O1)C=CC=C2 MCULE-3607982457 [1,0,0,1,0,0|2,0,0]=4 296 B14R2.972 CNC(=O)C1=CC2=CC=CC=C2O1 MCULE-7486538479 [1,0,0,1,0,0|2,0,0]=4 297 B14R2.972 COC(=O)C1=CC2=CC=CC=C2O1 MCULE-7794015841 [1,0,0,1,0,0|2,0,0]=4 298 B14R2.972 N/C(=N/O)/C1=CC2=C(O1)C=CC=C2 MCULE-1469624266 [1,0,0,1,0,0|2,0,0]=4 299 B14R2.972 N/C(=N/O)/C1=CC2=C(O1)C=CC=C2 MCULE-7834857229 [1,0,0,1,0,0|2,0,0]=4 300 B14R2.972 NNC(=O)C1=CC2=CC=CC=C2O1 MCULE-6809464842 [1,0,0,1,0,0|2,0,0]=4 301 B14R2.972 O=C(CBr)C1=CC2=C(O1)C=CC=C2 MCULE-1219121055 [1,0,0,1,0,0|1,0,1]=4 302 B14R2.972 O=C(CO)C1=CC2=CC=CC=C2S1 MCULE-1046677350 [1,0,0,1,0,0|0,1,1]=4 303 B14R2.1801 NC1=CC=CC2=CC(=CC=C12)C=O MCULE-7995493792 [1,0,0,1,0,0|2,0,0]=4 304 B14R2.1801 O=CC1=CC2=CC=CC(=C2C=C1)Br MCULE-3638406539 [1,0,0,1,0,0|2,0,0]=4 305 B14R2.1801 O=CC1=CC2=CC=CC(=C2C=C1)F MCULE-5784985404 [1,0,0,1,0,0|2,0,0]=4 306 B14R2.1801 O=CC1=CC=C2C(=CC=CC2=C1)O MCULE-2818135366 [1,0,0,1,0,0|1,0,0]=3 307 B14R2.1801 O=CC1=NC2=CC=CC(=C2C=C1)Br MCULE-8097913203 [1,0,0,1,0,0|2,0,0]=4 308 B14R2.1801 O=CC1=NC2=CC=CC(=C2C=C1)F MCULE-6848562024 [1,0,0,1,0,0|2,0,0]=4 309 B14R2.8038 CC1=C(C2=CC=CC(=C2C=C1)N)O MCULE-1743865566 [1,0,0,1,0,0|2,0,0]=4 310 B14R2.8038 CC1=C(C2=CC=CC(=C2C=C1)N)O MCULE-2731391487 [1,0,0,1,0,0|2,0,0]=4 311 B14R2.8038 CN1C=CC2=C(C=CC=C2C1=O)O MCULE-1609552272 [1,0,0,1,0,0|2,0,0]=4 312 B14R2.7969 CC1=C2C=C(NC2=CC=C1)C(=O)O MCULE-4659714822 [0,0,0,1,1,0|2,0,0]=4 313 B14R2.7969 CC1=C2C=C(OC2=CC=C1)C(=O)O MCULE-5032173542 [0,0,0,1,1,0|1,0,1]=4 314 B14R2.7969 CC1=CC=CC2=C1C=C(S2)C(=O)O MCULE-6836680129 [0,0,0,1,1,0|1,1,0]=4 315 B14R2.7969 NC1=C2C=C(OC2=CC=C1)C(=O)O MCULE-2258847138 [0,0,0,1,1,0|1,0,1]=4 316 B14R2.7969 NC1=C2C=C(SC2=CC=C1)C(=O)O MCULE-4217886398 [0,0,0,1,1,0|1,1,0]=4 317 B14R2.7969 NC1=CC=CC2=C1C=C(N2)C(=O)O MCULE-9009478244 [0,0,0,1,1,0|2,0,0]=4 318 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2N1)Br MCULE-2524085019 [0,0,0,1,1,0|2,0,0]=4 319 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2N1)Cl MCULE-5240160491 [0,0,0,1,1,0|2,0,0]=4 320 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2N1)F MCULE-6858546443 [0,0,0,1,1,0|2,0,0]=4 321 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2N1)O MCULE-4034566501 [0,0,0,1,1,0|1,0,0]=3 322 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2O1)F MCULE-7889827302 [0,0,0,1,1,0|1,0,1]=4 323 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2S1)I MCULE-9288195747 [0,0,0,1,1,0|1,1,0]=4 324 B14R2.7969 O=C(O)C1=CC2=C(N1)C(=CC=C2)O MCULE-5335470646 [0,0,0,1,1,0|2,0,0]=4 325 B14R2.7969 O=C(O)C1=CC2=C(N1)N=CC=C2O MCULE-5104893278 [0,0,0,1,1,0|2,0,0]=4 326 B14R2.7969 O=C(O)C1=CC2=C(O1)C(=CC=C2)O MCULE-6278559313 [0,0,0,1,1,0|2,0,0]=4 327 B14R2.7969 O=C(O)C1=CC2=C(O1)C=CC=C2Br MCULE-2548642014 [0,0,0,1,1,0|1,0,1]=4 328 B14R2.7969 O=C(O)C1=CC2=C(O1)C=CC=C2Cl MCULE-8765928294 [0,0,0,1,1,0|1,0,1]=4 329 B14R2.7969 O=C(O)C1=CC2=C(O1)C=CC=C2O MCULE-3614111268 [0,0,0,1,1,0|0,0,1]=3 330 B14R2.7969 O=C(O)C1=CC2=C(S1)C=CC=C2Br MCULE-1187058949 [0,0,0,1,1,0|1,1,0]=4 331 B14R2.7969 O=C(O)C1=CC2=C(S1)C=CC=C2Cl MCULE-3873790566 [0,0,0,1,1,0|1,1,0]=4 332 B14R2.7969 O=C(O)C1=CC2=C(S1)C=CC=C2F MCULE-5952479900 [0,0,0,1,1,0|1,1,0]=4 333 B14R2.7969 O=C(O)C1=CN2C(=CC=CC2=N1)O MCULE-1505290944 [0,0,0,1,1,0|2,0,0]=4 334 B14R2.7969 O=C(O)C1=NC2=C(C=CC=C2S1)O MCULE-2186150725 [0,0,0,1,1,0|1,1,0]=4 335 B14R2.7969 O=C(O)C1=NC2=CC=CC(=C2S1)O MCULE-6990043997 [0,0,0,1,1,0|2,0,0]=4 336 B14R2.28472 O=C1NC2=C(NC1=O)C(=CC=C2)O MCULE-5147743892 [0,0,0,1,1,0|2,0,0]=4 337 B14R2.28472 O=C1NC2=CC=CC(=C2C=C1Br)O MCULE-7970682640 [0,0,0,1,1,0|2,0,0]=4 338 B16R2.4064 CC1=C(C=CC=C1)C=C2SC(=O)NC2=O MCULE-5210416610 [0,0,0,1,0,1|1,1,0]=4 339 B16R2.4064 CC1=CC=CC=C1C=C2NC(=O)NC2=O MCULE-8578335387 [0,0,0,1,0,1|2,0,0]=4 340 B16R2.4064 N=C1NC(=O)C(=CC2=C(C=CC=C2)O)S1 MCULE-4115345297 [0,0,0,1,0,1|1,1,0]=4 341 B16R2.4064 N=C1NC(=O)SC1=CC2=CC=CC=C2O MCULE-4656479607 [0,0,0,1,0,1|1,1,0]=4 342 B16R2.4064 O=C1NC(=O)/C(=C/C2=CC=CC=C2O)/S1 MCULE-1203877793 [0,0,0,1,0,1|0,1,0]=3 343 B16R2.4064 O=C1NC(=O)C(=CC2=C(C=CC=C2)Br)S1 MCULE-9672771915 [0,0,0,1,0,1|1,1,0]=4 344 B16R2.4064 O=C1NC(=O)C(=CC2=C(C=CC=C2)F)S1 MCULE-7011268443 [0,0,0,1,0,1|1,1,0]=4 345 B16R2.4064 O=C1NC(=O)C(=CC2=C(C=CC=C2)I)S1 MCULE-6228196150 [0,0,0,1,0,1|1,1,0]=4 346 B16R2.4064 O=C1NC(=O)C(=CC2=C(C=CC=C2)O)S1 MCULE-9539918655 [0,0,0,1,0,1|0,1,0]=3 347 B16R2.4064 O=C1NC(=O)C(=CC2=CC=CC=C2Br)N1 MCULE-7673277555 [0,0,0,1,0,1|2,0,0]=4 348 B16R2.4064 O=C1NC(=O)C(=CC2=CC=CC=C2Cl)N1 MCULE-2476454846 [0,0,0,1,0,1|2,0,0]=4 349 B16R2.4064 O=C1NC(=O)C(=CC2=CC=CC=C2Cl)S1 MCULE-7215874833 [0,0,0,1,0,1|1,1,0]=4 350 B16R2.4064 O=C1NC(=O)C(=CC2=CC=CC=C2F)N1 MCULE-4374681373 [0,0,0,1,0,1|2,0,0]=4 351 B16R2.4064 O=C1NC(=O)C(=CC2=CC=CC=C2O)N1 MCULE-7929889751 [0,0,0,1,0,1|1,0,0]=3 352 B16R2.4064 O=C1NC(=S)C(=CC2=CC=CC=C2O)S1 MCULE-3321106156 [0,0,0,1,0,1|0,2,0]=4 353 B16R2.4064 O=C1NC(=S)NC1=CC2=C(C=CC=C2)O MCULE-9950508604 [0,0,0,1,0,1|1,1,0]=4 354 B16R2.4064 O=C1NC(=S)SC1=CC2=C(C=CC=C2)O MCULE-4082445312 [0,0,0,1,0,1|0,2,0]=4 355 B16R2.22858 CC1=CC=C2C(=NC=CC2=C1C(=O)O)O MCULE-9201425659 [0,0,0,1,0,1|2,0,0]=4 356 B16R2.22858 O=C(O)C1=C2C=CN=C(C2=CC=C1F)O MCULE-3123040263 [0,0,0,1,0,1|2,0,0]=4 357 B16R2.95959 O=C1C=C(C=C(O1)C2=CC=CC=C2Cl)O MCULE-3533561607 [0,0,0,1,0,1|1,0,1]=4 358 B16R2.3270 CC1=C(C=CC=C1)C2=CC=C(N2)C(=O)O MCULE-7837583469 [0,0,0,1,0,1|2,0,0]=4 359 B16R2.3270 CC1=C(C=CC=C1)C2=NC(=CS2)C(=O)O MCULE-1569213071 [0,0,0,1,0,1|2,0,0]=4 360 B16R2.3270 CC1=CC=CC=C1C2=CC=C(O2)C(=O)O MCULE-1885295054 [0,0,0,1,0,1|1,0,1]=4 361 B16R2.3270 CC1=CC=CC=C1N2C=CC(=N2)C(=O)O MCULE-7311147690 [0,0,0,1,0,1|2,0,0]=4 362 B16R2.3270 NC1=C(C=CC=C1)C2=CC=C(O2)C(=O)O MCULE-3897893509 [0,0,0,1,0,1|1,0,1]=4 363 B16R2.3270 NC1=C(C=CC=C1)N2C=CC(=N2)C(=O)O MCULE-8429889400 [0,0,0,1,0,1|2,0,0]=4 364 B16R2.3270 NC1=C(C=CC=C1)N2C=CC(=N2)C(=O)O MCULE-9713474026 [0,0,0,1,0,1|2,0,0]=4 365 B16R2.3270 NC1=CC=CC=C1C2=NC(=CO2)C(=O)O MCULE-9205032050 [0,0,0,1,0,1|2,0,0]=4 366 B16R2.3270 O=C(O)C1=CC(=CS1)C2=CC=CC=C2O MCULE-7332661616 [0,0,0,1,0,1|1,0,0]=3 367 B16R2.3270 O=C(O)C1=CC(=NN1)C2=C(C=CC=C2)O MCULE-1592811284 [0,0,0,1,0,1|2,0,0]=4 368 B16R2.3270 O=C(O)C1=CC=C(N1)C2=CC=CC=C2F MCULE-4254888113 [0,0,0,1,0,1|2,0,0]=4 369 B16R2.3270 O=C(O)C1=CC=C(O1)C2=C(C=CC=C2)Br MCULE-2775394103 [0,0,0,1,0,1|1,0,1]=4 370 B16R2.3270 O=C(O)C1=CC=C(O1)C2=CC=CC=C2Cl MCULE-9861309503 [0,0,0,1,0,1|1,0,1]=4 371 B16R2.3270 O=C(O)C1=CC=C(O1)C2=CC=CC=C2F MCULE-3585956034 [0,0,0,1,0,1|1,0,1]=4 372 B16R2.3270 O=C(O)C1=CC=C(O1)C2=CC=CC=C2O MCULE-6907589465 [0,0,0,1,0,1|0,0,1]=3 373 B16R2.3270 O=C(O)C1=CC=C(S1)C2=C(C=CC=C2)Cl MCULE-7535568226 [0,0,0,1,0,1|1,1,0]=4 374 B16R2.3270 O=C(O)C1=CC=C(S1)C2=C(C=CC=C2)F MCULE-7148451100 [0,0,0,1,0,1|1,1,0]=4 375 B16R2.3270 O=C(O)C1=CN=C(S1)C2=C(C=CC=C2)Br MCULE-1991672963 [0,0,0,1,0,1|1,1,0]=4 376 B16R2.3270 O=C(O)C1=CN=C(S1)C2=C(C=CC=C2)Cl MCULE-5132730806 [0,0,0,1,0,1|1,1,0]=4 377 B16R2.3270 O=C(O)C1=CN=C(S1)C2=C(C=CC=C2)F MCULE-7540831702 [0,0,0,1,0,1|1,1,0]=4 378 B16R2.3270 O=C(O)C1=COC(=N1)C2=C(C=CC=C2)Cl MCULE-1964821561 [0,0,0,1,0,1|2,0,0]=4 379 B16R2.3270 O=C(O)C1=COC(=N1)C2=CC=CC=C2Br MCULE-4643517732 [0,0,0,1,0,1|2,0,0]=4 380 B16R2.3270 O=C(O)C1=CSC(=N1)C2=C(C=CC=C2)Cl MCULE-8548608935 [0,0,0,1,0,1|2,0,0]=4 381 B16R2.3270 O=C(O)C1=CSC(=N1)C2=C(C=CC=C2)F MCULE-7078040448 [0,0,0,1,0,1|2,0,0]=4 382 B16R2.3270 O=C(O)C1=CSC(=N1)C2=CC=CC=C2Br MCULE-8771636136 [0,0,0,1,0,1|2,0,0]=4 383 B16R2.3270 O=C(O)C1=NC(=CS1)C2=CC=CC=C2Br MCULE-1539390510 [0,0,0,1,0,1|2,0,0]=4 384 B16R2.3270 O=C(O)C1=NC(=CS1)C2=CC=CC=C2Cl MCULE-1996986361 [0,0,0,1,0,1|2,0,0]=4 385 B16R2.3270 O=C(O)C1=NN(C=C1)C2=C(C=CC=C2)Cl MCULE-2339675113 [0,0,0,1,0,1|2,0,0]=4 386 B16R2.3270 O=C(O)C1=NN(C=C1)C2=C(C=CC=C2)F MCULE-8463763285 [0,0,0,1,0,1|2,0,0]=4 387 B16R2.3270 O=C(O)C1=NOC(=C1)C2=CC=CC=C2O MCULE-2750162193 [0,0,0,1,0,1|2,0,0]=4 388 B16R2.6271 NC(CC1=CC2=C(O1)C=CC=C2)C(=O)O MCULE-3718199935 [0,0,0,1,0,1|1,0,1]=4 389 B16R2.6271 NC(CC1=CC2=C(O1)C=CC=C2)C(=O)O MCULE-8013856096 [0,0,0,1,0,1|1,0,1]=4 390 B16R2.6271 O=C(O)C(=CC1=CC2=C(S1)C=CC=C2)S MCULE-6200286314 [0,0,0,1,0,1|0,2,0]=4 391 B16R2.6284 O=C(O)C(=O)C1=CC2=C(C=CC=C2)C=C1 MCULE-7777719296 [0,0,0,1,0,1|1,0,0]=3 392 B16R2.22832 CC1=CC=CC2=C1NC=C2C(=O)C(=O)O MCULE-3300578987 [0,0,0,1,0,1|1,0,0]=3 393 B16R2.22832 O=C(O)C(=O)C1=CNC2=C(C=CC=C12)Cl MCULE-7427154099 [0,0,0,1,0,1|1,0,0]=3 394 B16R2.22832 O=C(O)C(=O)C1=CNC2=C1C=CC=C2Br MCULE-4457875261 [0,0,0,1,0,1|1,0,0]=3 395 B16R2.22832 O=C(O)C(=O)C1=CNC2=C1C=CC=C2F MCULE-6418571175 [0,0,0,1,0,1|1,0,0]=3 396 B16R2.12 CC(=CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-9019172119 [0,1,0,1,0,0|2,0,0]=4 397 B16R2.12 O=C(O)C(=CC1=CNC2=CC=CC=C12)S MCULE-5398915682 [0,1,0,1,0,0|1,1,0]=4 398 B16R2.12 O=C(O)C(=O)CC1=CNC2=C1C=CC=C2 MCULE-1073478615 [0,1,0,1,0,0|1,0,1]=4 399 B16R2.3355 CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)O MCULE-3362397188 [0,1,0,1,0,0|0,1,0]=3 400 B16R2.36806 COC1=C2C=CC(=NC2=CC=C1)C(=O)O MCULE-3688331768 [0,1,0,1,0,0|1,0,0]=3 401 B16R2.36806 COC1=C2N=CC(=CC2=CC=C1)C(=O)O MCULE-3808183414 [0,1,0,1,0,0|2,0,0]=4 402 B16R2.36806 COC1=C2N=CC(=CC2=CC=C1)C(=O)O MCULE-8591418310 [0,1,0,1,0,0|2,0,0]=4 403 B16R2.126889 O=C(Cl)C1=C(C=C2C(=CC=CC2=C1)O)O MCULE-6668491437 [0,1,0,1,0,0|2,0,0]=4 404 B16R2.126889 O=C(O)C1=C(C=C2C(=C1)C=CN=C2O)F MCULE-2462557939 [0,1,0,1,0,0|2,0,0]=4 405 B16R2.126889 O=C(O)C1=CC2=C(C=C1O)C(=CC=C2)O MCULE-6546362277 [0,1,0,1,0,0|1,0,0]=3 406 B16R2.126889 O=C(O)C1=CC2=CC=CC(=C2OC1=O)O MCULE-1644384664 [0,1,0,1,0,0|2,0,0]=4 407 B16R2.173132 COC(=O)C1=CC2=C(C=C1)C(=CC=C2)C MCULE-8033505789 [0,1,0,1,0,0|2,0,0]=4 408 B16R2.173132 COC(=O)C1=CC2=C(C=C1)C(=CC=C2)N MCULE-2765002190 [0,1,0,1,0,0|2,0,0]=4 409 B16R2.173132 COC(=O)C1=CC2=C(C=C1)C(=CC=C2)O MCULE-8102480365 [0,1,0,1,0,0|1,0,0]=3 410 B16R2.173132 COC(=O)C1=CC2=C(C=C1)C(=CC=N2)O MCULE-2983886639 [0,1,0,1,0,0|2,0,0]=4 411 B16R2.173132 COC(=O)C1=CC2=CC=CC(=C2C=C1)Cl MCULE-8560266559 [0,1,0,1,0,0|2,0,0]=4 412 B16R2.173132 COC(=O)C1=CC=C2C(=CC=CC2=C1)Br MCULE-7831057940 [0,1,0,1,0,0|2,0,0]=4 413 B16R2.173132 COC(=O)C1=CC=C2C(=CC=CC2=N1)Br MCULE-9029168701 [0,1,0,1,0,0|2,0,0]=4 414 B16R2.173132 COC(=O)C1=CN=C2C(=CC=CC2=C1)O MCULE-7741993027 [0,1,0,1,0,0|2,0,0]=4 415 B16R2.173132 COC(=O)C1=NC2=CC=CC(=C2C=C1)F MCULE-2142277828 [0,1,0,1,0,0|2,0,0]=4 416 B16R2.22861 CC1=C2NC=C(C(=O)C2=CC=C1)C(=O)O MCULE-8586365323 [0,1,0,1,0,0|2,0,0]=4 417 B16R2.22861 NC1=CC=CC2=C1NC=C(C2=O)C(=O)O MCULE-3336107845 [0,1,0,1,0,0|2,0,0]=4 418 B16R2.22861 O=C(O)C1=C(C2=CC=CC(=C2N=C1)O)O MCULE-9052947914 [0,1,0,1,0,0|1,0,1]=4 419 B16R2.22861 O=C(O)C1=CN=C2C(=CC=CN2C1=O)O MCULE-1756971168 [0,1,0,1,0,0|2,0,0]=4 420 B16R2.22861 O=C(O)C1=CNC2=C(C=CC=C2C1=O)Br MCULE-6660379419 [0,1,0,1,0,0|2,0,0]=4 421 B16R2.126928 O=C(O)C1=CC(=O)C2=C(C=CC=C2O1)O MCULE-1242002150 [0,1,0,1,0,0|0,0,1]=3 422 B16R2.26103 CC1=NC2=CC(=CC=C2C(=C1)O)C(=O)O MCULE-3585627681 [0,1,0,1,0,0|2,0,0]=4 423 B16R2.26103 O=C(O)C1=CC=C2C(=CC(=CC2=C1)F)Br MCULE-4160024527 [0,1,0,1,0,0|2,0,0]=4 424 B16R2.26103 O=C(O)C1=CC=C2C(=CC(=CC2=C1)F)F MCULE-2719762663 [0,1,0,1,0,0|2,0,0]=4 425 B16R2.11989 CC1=C(C2=CC=C(C=C2C=C1)C(=O)O)Br MCULE-2412476850 [0,1,0,1,0,0|2,0,0]=4 426 B16R2.11989 O=C(O)C1=NC2=CC=C(C(=C2C=C1)Br)F MCULE-2288312922 [0,1,0,1,0,0|2,0,0]=4 427 B16R2.11989 O=C(O)C1=NC2=CC=C(C(=C2C=C1)F)Cl MCULE-6245280321 [0,1,0,1,0,0|2,0,0]=4 428 B16R2.24425 O=C(O)C1=NC2=C(C=CC(=C2C=C1)Br)O MCULE-1329273487 [0,1,0,1,0,0|2,0,0]=4 429 B16R2.24425 O=C(O)C1=NC2=C(C=CC(=C2C=C1)Cl)Cl MCULE-1024303012 [0,1,0,1,0,0|2,0,0]=4 430 B16R2.24425 O=C(O)C1=NC2=C(C=CC(=C2C=C1)F)Br MCULE-6453434821 [0,1,0,1,0,0|2,0,0]=4 431 B16R2.24425 O=C(O)C1=[NH+]C2=C(C=CC(=C2C=C1)Br)O MCULE-3289110238 [0,1,0,1,0,0|2,0,0]=4 432 B12R1.43 C/C(=C\C1=CC=CC=C1)/C(=O)O MCULE-2320385089 [1,0,0,0,1,0|1,0,0]=3 433 B12R1.43 C/C(=C\C1=CC=CC=N1)/C(=O)O MCULE-7937709933 [1,0,0,0,1,0|2,0,0]=4 434 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O MCULE-6200285839 [1,0,0,0,1,0|1,0,1]=4 435 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)Cl MCULE-2710676961 [1,0,0,0,1,0|2,0,0]=4 436 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)O MCULE-9237421946 [1,0,0,0,1,0|1,0,0]=3 437 B12R1.43 CC(=CC1=CC=NC=C1)C(=O)O MCULE-4497311492 [1,0,0,0,1,0|2,0,0]=4 438 B12R1.43 CC(=CC1=CC=NC=C1)C(=O)O MCULE-9348219643 [1,0,0,0,1,0|2,0,0]=4 439 B12R1.43 CC(=CC1=CN=CC=C1)C(=O)O MCULE-3384877642 [1,0,0,0,1,0|2,0,0]=4 440 B12R1.43 CC(=CC1=CN=CC=C1)C(=O)O MCULE-7592730750 [1,0,0,0,1,0|2,0,0]=4 441 B12R1.43 CC(=CC1=NC=CC=C1)C(=O)O MCULE-1302740145 [1,0,0,0,1,0|2,0,0]=4 442 B12R1.43 CC(=CC1=NC=CC=C1)C(=O)O MCULE-2513369896 [1,0,0,0,1,0|2,0,0]=4 443 B12R1.43 CC(=O)C(=CC1=CC=CC=C1)C MCULE-3659200622 [1,0,0,0,1,0|2,0,0]=4 444 B12R1.43 CC(=O)C(=O)NC1=CC=CC=C1 MCULE-8022797415 [1,0,0,0,1,0|2,0,0]=4 445 B12R1.43 NC(=O)C(=O)NC1=CC=CC=C1 MCULE-8843324862 [1,0,0,0,1,0|2,0,0]=4 446 B12R1.43 O=C(O)/C(=C/C1=CC=CC=C1)/Cl MCULE-5967816434 [1,0,0,0,1,0|1,0,0]=3 447 B12R1.43 O=C(O)/C(=C/C1=CC=CC=C1)/F MCULE-1278212404 [1,0,0,0,1,0|1,0,0]=3 448 B12R1.43 O=C(O)/C(=C/C1=CC=CC=C1)/O MCULE-9639825195 [1,0,0,0,1,0|0,0,1]=3 449 B12R1.43 O=C(O)/C(=C/C1=CC=CN=C1)/F MCULE-3005239361 [1,0,0,0,1,0|2,0,0]=4 450 B12R1.43 O=C(O)C(=CC1=CC=CC=C1)Cl MCULE-1012118487 [1,0,0,0,1,0|1,0,0]=3 451 B12R1.43 O=C(O)C(=CC1=CC=CC=C1)F MCULE-5587932542 [1,0,0,0,1,0|1,0,0]=3 452 B12R1.43 O=C(O)C(=CC1=CC=CC=C1)O MCULE-9904864252 [1,0,0,0,1,0|0,0,1]=3 453 B12R1.43 O=C(O)C(=CC1=CC=CC=C1)S MCULE-7966134349 [1,0,0,0,1,0|0,1,0]=3 454 B12R1.43 O=C(O)C(=CC1=CC=CN=C1)S MCULE-9764587748 [1,0,0,0,1,0|1,1,0]=4 455 B12R1.43 O=C(O)C(=CC1=CN=CC=C1)F MCULE-3500064918 [1,0,0,0,1,0|2,0,0]=4 456 B12R1.43 O=C(O)C(=CC1=CN=CC=C1)F MCULE-5834768457 [1,0,0,0,1,0|2,0,0]=4 457 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 MCULE-9935480822 [1,0,0,0,1,0|0,0,1]=3 458 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 MCULE-2107757064 [1,0,0,0,1,0|1,0,0]=3 459 B12R1.43 O=C(O)C(=O)NC1=CC=CC=N1 MCULE-4370089229 [1,0,0,0,1,0|2,0,0]=4 460 B12R1.43 O=C(O)C(=O)NC1=CC=CN=C1 MCULE-9086642065 [1,0,0,0,1,0|2,0,0]=4 461 B12R1.43 O=C([O-])C(=O)CC1=CC=CC=C1 MCULE-2474116698 [1,0,0,0,1,0|0,0,2]=4 462 B12R1.43 O=C([O-])C(=O)NC1=CC=CC=C1 MCULE-8215793073 [1,0,0,0,1,0|1,0,1]=4 463 B12R1.264 O=C(O)C(=O)C=CC1=CC=CO1 MCULE-1023996256 [1,0,0,0,1,0|1,0,0]=3 464 B12R1.264 O=C(O)C(=O)C=CC1=CC=CS1 MCULE-3493980124 [1,0,0,0,1,0|1,0,0]=3 465 B12R1.264 O=C([O-])C(=O)C=CC1=CC=CO1 MCULE-3126167037 [1,0,0,0,1,0|1,0,1]=4 466 B12R1.371 C/C(=C\C1=CC=CC=C1F)/C=O MCULE-6611062382 [1,0,0,0,1,0|2,0,0]=4 467 B12R1.371 CC(=CC1=CC=CC=C1F)C=O MCULE-7338954269 [1,0,0,0,1,0|2,0,0]=4 468 B12R1.124 CC(=O)C(=O)C1=CC=CC=C1Cl MCULE-3203147588 [0,0,0,0,2,0|2,0,0]=4 469 B12R1.124 CC(C(=O)O)C1=CC=CC=C1O MCULE-5158542829 [0,0,0,0,2,0|1,0,1]=4 470 B12R1.124 CC1=CC=CC=C1C(=O)C(=O)O MCULE-8017209587 [0,0,0,0,2,0|1,0,0]=3 471 B12R1.124 NC(C(=O)O)C1=CC=CC=C1O MCULE-2985694277 [0,0,0,0,2,0|1,0,1]=4 472 B12R1.124 NC(C(=O)O)C1=CC=CC=C1O MCULE-3195937187 [0,0,0,0,2,0|1,0,1]=4 473 B12R1.124 NC1=C(C=CC=C1)C(=O)C(=O)O MCULE-2520363952 [0,0,0,0,2,0|1,0,0]=3 474 B12R1.124 NC1=C(C=CC=C1)C(=O)C(=O)[O-] MCULE-5103126572 [0,0,0,0,2,0|1,0,1]=4 475 B12R1.124 N[C@@H](C(=O)O)C1=C(C=CC=C1)O MCULE-7969253701 [0,0,0,0,2,0|1,0,1]=4 476 B12R1.124 N[C@@H](C(=O)O)C1=CC=CC=C1O MCULE-5663620294 [0,0,0,0,2,0|1,0,1]=4 477 B12R1.124 N[C@@H](C(=O)O)C1=CC=CC=C1O MCULE-6765301365 [0,0,0,0,2,0|1,0,1]=4 478 B12R1.124 N[C@@H](C(=O)O)C1=CC=CC=C1O MCULE-8945904652 [0,0,0,0,2,0|1,0,1]=4 479 B12R1.124 N[C@H](C(=O)O)C1=C(C=CC=C1)O MCULE-7458555743 [0,0,0,0,2,0|1,0,1]=4 480 B12R1.124 N[C@H](C(=O)O)C1=CC=CC=C1O MCULE-6072664179 [0,0,0,0,2,0|1,0,1]=4 481 B12R1.124 N[C@H](C(=O)O)C1=CC=CC=C1O MCULE-6368969504 [0,0,0,0,2,0|1,0,1]=4 482 B12R1.124 N[C@H](C(=O)O)C1=CC=CC=C1O MCULE-8674393242 [0,0,0,0,2,0|1,0,1]=4 483 B12R1.124 O=C(Cl)C(=O)C1=CC=CC=C1Cl MCULE-8599730324 [0,0,0,0,2,0|2,0,0]=4 484 B12R1.124 O=C(O)C(=O)C1=C(C=CC=C1)Cl MCULE-5008924385 [0,0,0,0,2,0|1,0,0]=3 485 B12R1.124 O=C(O)C(=O)C1=CC=CC=C1Br MCULE-7178240083 [0,0,0,0,2,0|1,0,0]=3 486 B12R1.124 O=C(O)C(=O)C1=CC=CC=C1F MCULE-8183248709 [0,0,0,0,2,0|1,0,0]=3 487 B12R1.124 O=C(O)C(=O)C1=CC=CN=C1O MCULE-5922854073 [0,0,0,0,2,0|1,0,0]=3 488 B14R1.159 CC1=C(C=CC=C1)OCC=CC(=O)O MCULE-1728419123 [1,0,0,0,0,1|1,0,1]=4 489 B14R1.159 O=C(O)C=CCOC1=C(C=CC=C1)Br MCULE-3064475506 [1,0,0,0,0,1|1,0,1]=4 490 B14R1.159 O=C(O)C=CCOC1=C(C=CC=C1)Cl MCULE-4236154203 [1,0,0,0,0,1|1,0,1]=4 491 B14R1.159 O=C(O)C=CCOC1=C(C=CC=C1)F MCULE-9965677347 [1,0,0,0,0,1|1,0,1]=4 492 B14R1.159 O=C(O)CON=CC1=C(C=CC=C1)O MCULE-2463915692 [1,0,0,0,0,1|1,0,1]=4 493 B14R1.818 CC(=CC(=O)O)C=CC1=CC=CC=C1 MCULE-8914163708 [1,0,0,0,0,1|1,0,0]=3 494 B14R1.818 CC(=CC(=O)O)C=CC1=CN=CC=C1 MCULE-4871169885 [1,0,0,0,0,1|2,0,0]=4 495 B14R1.818 CC(=CC(=O)O)C=CC1=C[NH+]=CC=C1 MCULE-1209562124 [1,0,0,0,0,1|2,0,0]=4 496 B14R1.818 CC(=CC(=O)[O-])C=CC1=CC=CC=C1 MCULE-6991508001 [1,0,0,0,0,1|1,0,1]=4 497 B14R1.818 CC(=O)CC(=O)C=CC1=CC=CC=C1 MCULE-3696385223 [1,0,0,0,0,1|1,0,0]=3 498 B14R1.818 NC(=S)NC(=O)C=CC1=CC=CC=C1 MCULE-6921430293 [1,0,0,0,0,1|1,1,0]=4 499 B14R1.818 O=C(O)CC(=O)CCC1=CC=CC=C1 MCULE-4316444290 [1,0,0,0,0,1|0,0,2]=4 500 B14R1.818 O=C(O)CC(=O)OCC1=CC=CC=C1 MCULE-9938778470 [1,0,0,0,0,1|1,0,1]=4 501 B16R1.400 CC1=CC=CC=C1C=CC(=O)NCC(=O)O MCULE-7770820823 [0,0,0,0,0,2|1,0,0]=3 502 B16R1.400 O=C(O)CNC(=O)C=CC1=CC=CC=C1Cl MCULE-4437402883 [0,0,0,0,0,2|1,0,0]=3 503 B16R1.400 O=C(O)CNC(=O)C=CC1=CC=CC=C1F MCULE-7315957610 [0,0,0,0,0,2|1,0,0]=3