0 B12R1.261 CC(=O)C1=C(C=CC=C1)C(=O)C MCULE-8127457015 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.261 CC(=O)C1=C(C=CC=C1)C(C)C MCULE-8529446162 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.261 CC(=O)C1=C(C=CC=C1)N(=O)=O MCULE-5017248906 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.261 CC(=O)C1=C(C=CC=C1)N(C)C MCULE-1644745832 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.261 CC(=O)C1=C(C=CC=N1)C(=O)O MCULE-6515097923 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.261 CC(=O)C1=CC=CC=C1B(O)O MCULE-2733113900 [0,0,0,0,0,0|2,0,1]=3 6 B12R1.261 CC(=O)C1=CC=CC=C1C(=O)Cl MCULE-1765251115 [0,0,0,0,0,0|2,0,0]=2 7 B12R1.261 CC(=O)C1=CC=CC=C1C(=O)O MCULE-7363003448 [0,0,0,0,0,0|1,0,0]=1 8 B12R1.261 CC(=O)C1=CC=CC=C1C(F)F MCULE-8753213691 [0,0,0,0,0,0|3,0,1]=4 9 B12R1.261 CC(=O)C1=CC=CN=C1C(=O)O MCULE-8161361642 [0,0,0,0,0,0|2,0,0]=2 10 B12R1.261 CC(=O)C1=CC=NC=C1N(=O)=O MCULE-6487205255 [0,0,0,0,0,0|3,0,1]=4 11 B12R1.261 CC(=O)C1=NC=CC=C1N(=O)=O MCULE-5350244842 [0,0,0,0,0,0|3,0,1]=4 12 B12R1.261 CC(C)C1=C(C=CC=C1)C(=O)O MCULE-6483894536 [0,0,0,0,0,0|2,0,1]=3 13 B12R1.261 CC(N)C1=CC=CC=C1C(=O)O MCULE-8650746123 [0,0,0,0,0,0|2,0,1]=3 14 B12R1.261 CC(N)C1=CC=CC=C1C(=O)O MCULE-9609008723 [0,0,0,0,0,0|2,0,1]=3 15 B12R1.261 CC(O)C1=C(C=CC=C1)C(=O)O MCULE-1846110939 [0,0,0,0,0,0|1,0,1]=2 16 B12R1.261 CC(O)C1=C(C=CC=C1)C(=O)[O-] MCULE-3438709652 [0,0,0,0,0,0|1,0,2]=3 17 B12R1.261 CC(O)C1=C(C=CC=C1)N(=O)=O MCULE-8851254927 [0,0,0,0,0,0|2,0,2]=4 18 B12R1.261 CC(O)C1=CC=CC=C1C(C)O MCULE-4357572792 [0,0,0,0,0,0|2,0,2]=4 19 B12R1.261 CN(C)C1=C(C=CC=C1)C(=O)N MCULE-7432093352 [0,0,0,0,0,0|4,0,0]=4 20 B12R1.261 CN(C)C1=C(C=CC=C1)C(=O)O MCULE-4355771481 [0,0,0,0,0,0|3,0,0]=3 21 B12R1.261 CN(C)C1=C(C=CC=C1)C(=O)O MCULE-5122962105 [0,0,0,0,0,0|3,0,0]=3 22 B12R1.261 CN(C)C1=C(C=CC=N1)C(=O)O MCULE-9511648365 [0,0,0,0,0,0|4,0,0]=4 23 B12R1.261 CN(C)C1=C(C=CN=C1)C(=O)O MCULE-1172080169 [0,0,0,0,0,0|4,0,0]=4 24 B12R1.261 CN(C)C1=C(C=NC=C1)C(=O)O MCULE-7154580964 [0,0,0,0,0,0|4,0,0]=4 25 B12R1.261 CN(C)C1=C(N=CC=C1)C(=O)O MCULE-5933352694 [0,0,0,0,0,0|4,0,0]=4 26 B12R1.261 CN(C)C1=C(N=CC=C1)C(=O)O MCULE-9528047463 [0,0,0,0,0,0|4,0,0]=4 27 B12R1.261 CN(C)C1=NC=CC=C1C(=O)O MCULE-3019368809 [0,0,0,0,0,0|4,0,0]=4 28 B12R1.261 CS(=O)C1=C(C=CC=C1)C(=O)O MCULE-3173889444 [0,0,0,0,0,0|2,0,0]=2 29 B12R1.261 CS(=O)C1=CC=CC=C1B(O)O MCULE-9321316540 [0,0,0,0,0,0|3,0,1]=4 30 B12R1.261 C[C@@H](N)C1=CC=CC=C1C(=O)O MCULE-6849862508 [0,0,0,0,0,0|2,0,1]=3 31 B12R1.261 C[C@@H](N)C1=CC=CC=C1C(=O)O MCULE-9842865976 [0,0,0,0,0,0|2,0,1]=3 32 B12R1.261 C[C@@H](O)C1=C(C=CC=C1)[N+](=O)[O-] MCULE-9278710855 [0,0,0,0,0,0|2,0,2]=4 33 B12R1.261 C[C@H](N)C1=CC=CC=C1C(=O)O MCULE-1164292262 [0,0,0,0,0,0|2,0,1]=3 34 B12R1.261 C[C@H](N)C1=CC=CC=C1C(=O)O MCULE-7958697940 [0,0,0,0,0,0|2,0,1]=3 35 B12R1.261 C[C@H](O)C1=C(C=CC=C1)[N+](=O)[O-] MCULE-4050015215 [0,0,0,0,0,0|2,0,2]=4 36 B12R1.261 N=C(N)C1=C(C=CC=C1)C(=O)O MCULE-9719518377 [0,0,0,0,0,0|2,0,0]=2 37 B12R1.261 N=C(N)C1=C(C=CC=C1)N(=O)=O MCULE-2771228560 [0,0,0,0,0,0|3,0,1]=4 38 B12R1.261 N=C(N)C1=C(C=CC=C1)N(=O)=O MCULE-9421742783 [0,0,0,0,0,0|3,0,1]=4 39 B12R1.261 N=C(N)C1=CC=CC=C1C(=O)O MCULE-9966971962 [0,0,0,0,0,0|2,0,0]=2 40 B12R1.261 NC(=O)C1=C(C=CC=C1)C(=O)N MCULE-9121420422 [0,0,0,0,0,0|2,0,0]=2 41 B12R1.261 NC(=O)C1=C(C=CC=C1)N(=O)=O MCULE-3155069269 [0,0,0,0,0,0|2,0,1]=3 42 B12R1.261 NC(=O)C1=C(C=CC=N1)C(=O)O MCULE-1406870021 [0,0,0,0,0,0|2,0,0]=2 43 B12R1.261 NC(=O)C1=C(C=NC=C1)C(=O)N MCULE-6214710169 [0,0,0,0,0,0|3,0,0]=3 44 B12R1.261 NC(=O)C1=C(N=CC=C1)C(=O)N MCULE-9477991075 [0,0,0,0,0,0|3,0,0]=3 45 B12R1.261 NC(=O)C1=C(N=CC=C1)C(=O)O MCULE-3923055422 [0,0,0,0,0,0|2,0,0]=2 46 B12R1.261 NC(=O)C1=C(N=CC=C1)N(=O)=O MCULE-2691042508 [0,0,0,0,0,0|3,0,1]=4 47 B12R1.261 NC(=O)C1=C(N=CC=N1)C(=O)N MCULE-8252591791 [0,0,0,0,0,0|4,0,0]=4 48 B12R1.261 NC(=O)C1=C(N=CC=N1)C(=O)O MCULE-1532166101 [0,0,0,0,0,0|3,0,0]=3 49 B12R1.261 NC(=O)C1=CC=CC=C1B(O)O MCULE-7189761074 [0,0,0,0,0,0|2,0,1]=3 50 B12R1.261 NC(=O)C1=CC=CC=C1C(=O)O MCULE-4970133228 [0,0,0,0,0,0|1,0,0]=1 51 B12R1.261 NC(=O)C1=CC=NC=C1C(=O)O MCULE-7389852342 [0,0,0,0,0,0|2,0,0]=2 52 B12R1.261 NC(=O)C1=CC=NN=C1C(=O)N MCULE-1725466286 [0,0,0,0,0,0|4,0,0]=4 53 B12R1.261 NC(=O)C1=NC=CC=C1B(O)O MCULE-3702640321 [0,0,0,0,0,0|3,0,1]=4 54 B12R1.261 NC(=O)C1=NC=CC=C1N(=O)=O MCULE-5283800337 [0,0,0,0,0,0|3,0,1]=4 55 B12R1.261 NC(=S)C1=C(C=CC=C1)N(=O)=O MCULE-1714140437 [0,0,0,0,0,0|2,1,1]=4 56 B12R1.261 NC(=S)C1=CC=CC=C1C(=S)N MCULE-7570686571 [0,0,0,0,0,0|2,2,0]=4 57 B12R1.261 O=C(Cl)C1=C(C=CC=C1)N(=O)=O MCULE-1428213268 [0,0,0,0,0,0|2,0,1]=3 58 B12R1.261 O=C(Cl)C1=CC=CC=C1C(=O)Cl MCULE-7523310459 [0,0,0,0,0,0|2,0,0]=2 59 B12R1.261 O=C(Cl)C1=CC=NC=C1N(=O)=O MCULE-2660581374 [0,0,0,0,0,0|3,0,1]=4 60 B12R1.261 O=C(O)C1=C(C=CC=C1)S(=O)O MCULE-4903524306 [0,0,0,0,0,0|1,0,0]=1 61 B12R1.261 O=C(O)C1=C(C=CN=C1)N(=O)=O MCULE-7751395680 [0,0,0,0,0,0|2,0,1]=3 62 B12R1.261 O=C(O)C1=C(C=NC=C1)B(O)O MCULE-9901761074 [0,0,0,0,0,0|2,0,1]=3 63 B12R1.261 O=C(O)C1=C(C=NC=C1)C(=O)O MCULE-9167973257 [0,0,0,0,0,0|1,0,0]=1 64 B12R1.261 O=C(O)C1=C(C=NN=C1)C(=O)O MCULE-3596451426 [0,0,0,0,0,0|2,0,0]=2 65 B12R1.261 O=C(O)C1=C(CCC=C1)C(=O)O MCULE-7979676732 [0,0,0,0,0,0|0,0,2]=2 66 B12R1.261 O=C(O)C1=C(CCCC1)C(=O)O MCULE-2633452606 [0,0,0,0,0,0|0,0,4]=4 67 B12R1.261 O=C(O)C1=C(N=CC=C1)C(F)F MCULE-8785164573 [0,0,0,0,0,0|3,0,1]=4 68 B12R1.261 O=C(O)C1=C(N=CC=C1)N(=O)=O MCULE-8440821375 [0,0,0,0,0,0|2,0,1]=3 69 B12R1.261 O=C(O)C1=C(N=NC=C1)C(=O)O MCULE-8079413518 [0,0,0,0,0,0|2,0,0]=2 70 B12R1.261 O=C(O)C1=CC=CC=C1B(O)O MCULE-2654185147 [0,0,0,0,0,0|1,0,1]=2 71 B12R1.261 O=C(O)C1=CC=CC=C1C(=O)O MCULE-4747891013 [0,0,0,0,0,0|0,0,0]=0 72 B12R1.261 O=C(O)C1=CC=CC=C1C(F)F MCULE-2495932834 [0,0,0,0,0,0|2,0,1]=3 73 B12R1.261 O=C(O)C1=CC=CC=C1I(=O)=O MCULE-6964235236 [0,0,0,0,0,0|1,0,1]=2 74 B12R1.261 O=C(O)C1=CC=CC=C1N(=O)=O MCULE-3357987129 [0,0,0,0,0,0|1,0,1]=2 75 B12R1.261 O=C(O)C1=CC=CN=C1C(=O)O MCULE-7041185901 [0,0,0,0,0,0|1,0,0]=1 76 B12R1.261 O=C(O)C1=CC=NC=C1C(F)F MCULE-9880186832 [0,0,0,0,0,0|3,0,1]=4 77 B12R1.261 O=C(O)C1=CC=NC=C1N(=O)=O MCULE-6986359806 [0,0,0,0,0,0|2,0,1]=3 78 B12R1.261 O=C(O)C1=NC=CC=C1C(F)F MCULE-5429671750 [0,0,0,0,0,0|3,0,1]=4 79 B12R1.261 O=C(O)C1=NC=CC=C1N(=O)=O MCULE-8730357238 [0,0,0,0,0,0|2,0,1]=3 80 B12R1.261 O=C(O)C1=NC=CN=C1C(=O)O MCULE-9800236497 [0,0,0,0,0,0|2,0,0]=2 81 B12R1.261 O=C(O)C1C=CC=CC1C(=O)O MCULE-4363481692 [0,0,0,0,0,0|0,0,2]=2 82 B12R1.261 O=C(O)C1CC=CCC1C(=O)O MCULE-8208403883 [0,0,0,0,0,0|0,0,4]=4 83 B12R1.261 O=C(O)[C@@H]1CC=CC[C@H]1C(=O)O MCULE-3658680121 [0,0,0,0,0,0|0,0,4]=4 84 B12R1.261 O=C(O)[C@@H]1CC=CC[C@H]1C(=O)O MCULE-5277132939 [0,0,0,0,0,0|0,0,4]=4 85 B12R1.261 O=C(O)[C@H]1CC=CC[C@H]1C(=O)O MCULE-7062667000 [0,0,0,0,0,0|0,0,4]=4 86 B12R1.261 O=C([O-])C1=C(C=CC=C1)C(=O)O MCULE-1944452251 [0,0,0,0,0,0|0,0,1]=1 87 B12R1.261 O=C([O-])C1=CC=CC=C1B(O)O MCULE-2281945209 [0,0,0,0,0,0|1,0,2]=3 88 B12R1.261 O=C([O-])C1=CC=CC=C1C(=O)O MCULE-6292903963 [0,0,0,0,0,0|0,0,1]=1 89 B12R1.261 O=C([O-])C1=CC=CC=C1C(=O)O MCULE-7154530233 [0,0,0,0,0,0|0,0,1]=1 90 B12R1.261 O=C([O-])C1=CC=CC=C1C(=O)[O-] MCULE-4658064312 [0,0,0,0,0,0|0,0,2]=2 91 B12R1.261 O=C([O-])C1=CC=CC=C1C(=O)[O-] MCULE-5372933453 [0,0,0,0,0,0|0,0,2]=2 92 B12R1.261 O=C([O-])C1=CC=CC=C1N(=O)=O MCULE-7211229453 [0,0,0,0,0,0|1,0,2]=3 93 B12R1.261 O=N(=O)C1=C(C=CC=C1)N(=O)=O MCULE-7727148464 [0,0,0,0,0,0|2,0,2]=4 94 B12R1.261 O=N(=O)C1=CC=CC=C1B(O)O MCULE-8304687530 [0,0,0,0,0,0|2,0,2]=4 95 B12R1.261 O=N(=O)C1=CC=CC=C1S(=O)[O-] MCULE-7544733406 [0,0,0,0,0,0|2,0,2]=4 96 B12R1.261 O=N(=O)C1=CC=CC=C1S(=O)[O-] MCULE-9391367613 [0,0,0,0,0,0|2,0,2]=4 97 B12R1.261 OB(O)C1=C(C=CC=C1)B(O)O MCULE-4703590035 [0,0,0,0,0,0|2,0,2]=4 98 B11R1.53 C#CC1=C(C=CC=C1)C(=O)C MCULE-3005940647 [1,0,0,0,0,0|2,0,1]=4 99 B11R1.53 C#CC1=CC=CC=C1C(=O)N MCULE-2153620506 [1,0,0,0,0,0|2,0,1]=4 100 B11R1.53 C#CC1=CC=CC=C1C(=O)O MCULE-2225406631 [1,0,0,0,0,0|1,0,1]=3 101 B11R1.53 C=C(C)C1=CC=CC=C1CO MCULE-9261859834 [1,0,0,0,0,0|2,0,1]=4 102 B11R1.53 C=CC1=C(C=CC=C1)N(=O)=O MCULE-3748177872 [1,0,0,0,0,0|2,0,1]=4 103 B11R1.53 C=CC1=CC=CC=C1B(O)O MCULE-9385754327 [1,0,0,0,0,0|2,0,1]=4 104 B11R1.53 C=CC1=CC=CC=C1C(=O)C MCULE-2023411900 [1,0,0,0,0,0|2,0,0]=3 105 B11R1.53 C=CC1=CC=CC=C1C(=O)O MCULE-7536191019 [1,0,0,0,0,0|1,0,0]=2 106 B11R1.53 CC(=O)C1=C(C=CC=C1)C#N MCULE-4004183023 [1,0,0,0,0,0|2,0,1]=4 107 B11R1.53 CC(=O)C1=CC=CC=C1C=O MCULE-5332635055 [1,0,0,0,0,0|1,0,0]=2 108 B11R1.53 CC(C)C1=CC=CC=C1C=O MCULE-1950353003 [1,0,0,0,0,0|2,0,1]=4 109 B11R1.53 CC(O)C1=CC=CC=C1CO MCULE-9089040464 [1,0,0,0,0,0|1,0,2]=4 110 B11R1.53 CCC1=C(C=CC=C1)C(=O)C MCULE-2609725301 [1,0,0,0,0,0|2,0,1]=4 111 B11R1.53 CCC1=C(C=CC=C1)C(=O)N MCULE-2003552914 [1,0,0,0,0,0|2,0,1]=4 112 B11R1.53 CCC1=C(C=CC=N1)C(=O)O MCULE-1816858431 [1,0,0,0,0,0|2,0,1]=4 113 B11R1.53 CCC1=C(C=CN=C1)C(=O)O MCULE-2556387316 [1,0,0,0,0,0|2,0,1]=4 114 B11R1.53 CCC1=C(C=CN=C1)C(=O)O MCULE-8380645094 [1,0,0,0,0,0|2,0,1]=4 115 B11R1.53 CCC1=CC=CC=C1C(=O)Cl MCULE-7919259179 [1,0,0,0,0,0|2,0,1]=4 116 B11R1.53 CCC1=CC=CC=C1C(=O)O MCULE-5345503463 [1,0,0,0,0,0|1,0,1]=3 117 B11R1.53 CCC1=CC=NC=C1C(=O)O MCULE-5770920295 [1,0,0,0,0,0|2,0,1]=4 118 B11R1.53 CN(C)C1=C(C=CC=C1)C=O MCULE-8066235583 [1,0,0,0,0,0|3,0,0]=4 119 B11R1.53 CNC1=C(C=CC=C1)C(=O)N MCULE-1088460584 [1,0,0,0,0,0|3,0,0]=4 120 B11R1.53 CNC1=C(C=CN=C1)C(=O)O MCULE-9089889870 [1,0,0,0,0,0|3,0,0]=4 121 B11R1.53 CNC1=CC=CC=C1C(=O)C MCULE-8366543105 [1,0,0,0,0,0|3,0,0]=4 122 B11R1.53 CNC1=CC=CC=C1C(=O)O MCULE-5834002880 [1,0,0,0,0,0|2,0,0]=3 123 B11R1.53 CNC1=NC=CC=C1C(=O)O MCULE-6289599546 [1,0,0,0,0,0|3,0,0]=4 124 B11R1.53 COC1=C(C=CC=C1)C(=O)C MCULE-4229015136 [1,0,0,0,0,0|3,0,0]=4 125 B11R1.53 COC1=C(C=CC=C1)C(=O)O MCULE-8358316345 [1,0,0,0,0,0|2,0,0]=3 126 B11R1.53 COC1=C(C=CC=C1)C(=O)[O-] MCULE-2998755053 [1,0,0,0,0,0|2,0,1]=4 127 B11R1.53 COC1=C(C=CC=C1)S(=O)O MCULE-9927511433 [1,0,0,0,0,0|3,0,0]=4 128 B11R1.53 COC1=CC=CC=C1C(=O)Cl MCULE-5853878323 [1,0,0,0,0,0|3,0,0]=4 129 B11R1.53 COC1=CC=CC=C1C(=O)N MCULE-5017344990 [1,0,0,0,0,0|3,0,0]=4 130 B11R1.53 COC1=CC=CN=C1C(=O)O MCULE-9430488708 [1,0,0,0,0,0|3,0,0]=4 131 B11R1.53 COC1=CC=NC=C1C(=O)O MCULE-3496808749 [1,0,0,0,0,0|3,0,0]=4 132 B11R1.53 COC1=CN=CC=C1C(=O)O MCULE-4176544219 [1,0,0,0,0,0|3,0,0]=4 133 B11R1.53 COC1=NC=CC=C1C(=O)O MCULE-5244916926 [1,0,0,0,0,0|3,0,0]=4 134 B11R1.53 CSC1=C(C=CC=C1)C(=O)C MCULE-3015343743 [1,0,0,0,0,0|3,0,0]=4 135 B11R1.53 CSC1=C(C=CC=C1)C(=O)N MCULE-8440684791 [1,0,0,0,0,0|3,0,0]=4 136 B11R1.53 CSC1=C(C=CC=C1)C(=O)O MCULE-9467769240 [1,0,0,0,0,0|2,0,0]=3 137 B11R1.53 CSC1=C(N=CC=C1)C(=O)O MCULE-7916550623 [1,0,0,0,0,0|3,0,0]=4 138 B11R1.53 CSC1=CC=CC=C1C(=O)Cl MCULE-1833321818 [1,0,0,0,0,0|3,0,0]=4 139 B11R1.53 CSC1=NC=CC=C1C(=O)O MCULE-6789292284 [1,0,0,0,0,0|3,0,0]=4 140 B11R1.53 N#CC1=C(C=CC=C1)C(=O)Cl MCULE-8891016561 [1,0,0,0,0,0|2,0,1]=4 141 B11R1.53 N#CC1=C(C=CC=C1)C(=O)N MCULE-8710009642 [1,0,0,0,0,0|2,0,1]=4 142 B11R1.53 N#CC1=C(C=CC=C1)C(=O)O MCULE-8028564477 [1,0,0,0,0,0|1,0,1]=3 143 B11R1.53 N#CC1=C(C=CC=N1)C(=O)O MCULE-3876490764 [1,0,0,0,0,0|2,0,1]=4 144 B11R1.53 N#CC1=C(C=CN=C1)C(=O)O MCULE-8811831389 [1,0,0,0,0,0|2,0,1]=4 145 B11R1.53 N#CC1=C(C=NC=C1)C(=O)O MCULE-9818500214 [1,0,0,0,0,0|2,0,1]=4 146 B11R1.53 N#CC1=CC=CN=C1C(=O)O MCULE-1136247414 [1,0,0,0,0,0|2,0,1]=4 147 B11R1.53 NC(=O)C1=C(C=CC=C1)C=O MCULE-1125511731 [1,0,0,0,0,0|1,0,0]=2 148 B11R1.53 NC(=O)C1=C(C=CC=C1)CBr MCULE-2953769743 [1,0,0,0,0,0|2,0,1]=4 149 B11R1.53 NC(=O)C1=C(C=CC=C1)CO MCULE-6667845071 [1,0,0,0,0,0|1,0,1]=3 150 B11R1.53 NC(=O)C1=C(C=CC=N1)C=O MCULE-2464669711 [1,0,0,0,0,0|2,0,0]=3 151 B11R1.53 NC(=O)C1=C(N=CC=C1)CO MCULE-4149391731 [1,0,0,0,0,0|2,0,1]=4 152 B11R1.53 NCC1=C(C=CC=N1)C(=O)O MCULE-6336117316 [1,0,0,0,0,0|2,0,1]=4 153 B11R1.53 NCC1=C(C=CC=N1)C(=O)O MCULE-8956287762 [1,0,0,0,0,0|2,0,1]=4 154 B11R1.53 NCC1=CC=CC=C1C(=O)N MCULE-4740530376 [1,0,0,0,0,0|2,0,1]=4 155 B11R1.53 NCC1=CC=CC=C1C(=O)N MCULE-6077105754 [1,0,0,0,0,0|2,0,1]=4 156 B11R1.53 NCC1=CC=CC=C1C(=O)O MCULE-3951040853 [1,0,0,0,0,0|1,0,1]=3 157 B11R1.53 NCC1=CC=CC=C1C(=O)O MCULE-7214993753 [1,0,0,0,0,0|1,0,1]=3 158 B11R1.53 NNC1=C(C=CC=C1)C(=O)O MCULE-6710058167 [1,0,0,0,0,0|2,0,0]=3 159 B11R1.53 NNC1=C(C=CC=N1)C(=O)O MCULE-3923715583 [1,0,0,0,0,0|3,0,0]=4 160 B11R1.53 NNC1=C(C=CN=C1)C(=O)O MCULE-7818226027 [1,0,0,0,0,0|3,0,0]=4 161 B11R1.53 NNC1=C(C=CN=C1)C(=O)O MCULE-8470030986 [1,0,0,0,0,0|3,0,0]=4 162 B11R1.53 NNC1=CC=CC=C1C(=O)O MCULE-9681705772 [1,0,0,0,0,0|2,0,0]=3 163 B11R1.53 NNC1=CC=NC=C1C(=O)O MCULE-5506238702 [1,0,0,0,0,0|3,0,0]=4 164 B11R1.53 NNC1=NC=CC=C1C(=O)O MCULE-7721411154 [1,0,0,0,0,0|3,0,0]=4 165 B11R1.53 O=C(Br)C1=C(C=CC=C1)CBr MCULE-9152786716 [1,0,0,0,0,0|2,0,1]=4 166 B11R1.53 O=C(Cl)C1=CC=CC=C1CBr MCULE-4859473805 [1,0,0,0,0,0|2,0,1]=4 167 B11R1.53 O=C(Cl)C1=CC=CC=C1CCl MCULE-2103928099 [1,0,0,0,0,0|2,0,1]=4 168 B11R1.53 O=C(O)C1=C(C=CC=C1)CBr MCULE-3916838805 [1,0,0,0,0,0|1,0,1]=3 169 B11R1.53 O=C(O)C1=C(C=CC=C1)CCl MCULE-9961828053 [1,0,0,0,0,0|1,0,1]=3 170 B11R1.53 O=C(O)C1=C(C=CC=C1)CO MCULE-4795775601 [1,0,0,0,0,0|0,0,1]=2 171 B11R1.53 O=C(O)C1=C(C=CC=C1)NO MCULE-6356954782 [1,0,0,0,0,0|1,0,0]=2 172 B11R1.53 O=C(O)C1=C(C=CC=C1)OI MCULE-3097266245 [1,0,0,0,0,0|2,0,0]=3 173 B11R1.53 O=C(O)C1=C(N=CC=C1)CO MCULE-1065539051 [1,0,0,0,0,0|1,0,1]=3 174 B11R1.53 O=C(O)C1=CN=CC=C1CO MCULE-7496519749 [1,0,0,0,0,0|1,0,1]=3 175 B11R1.53 O=CC1=C(C=CC=C1)B(O)O MCULE-7288006724 [1,0,0,0,0,0|1,0,1]=3 176 B11R1.53 O=CC1=C(C=CC=C1)C(=O)Cl MCULE-3471711409 [1,0,0,0,0,0|1,0,0]=2 177 B11R1.53 O=CC1=C(C=CC=N1)C(=O)O MCULE-5630434791 [1,0,0,0,0,0|1,0,0]=2 178 B11R1.53 O=CC1=C(C=CN=C1)B(O)O MCULE-1154555476 [1,0,0,0,0,0|2,0,1]=4 179 B11R1.53 O=CC1=C(C=NC=C1)N(=O)=O MCULE-6143056300 [1,0,0,0,0,0|2,0,1]=4 180 B11R1.53 O=CC1=C(N=CC=C1)C(=O)O MCULE-6919546171 [1,0,0,0,0,0|1,0,0]=2 181 B11R1.53 O=CC1=C(N=CC=C1)N(=O)=O MCULE-1833337330 [1,0,0,0,0,0|2,0,1]=4 182 B11R1.53 O=CC1=CC=CC=C1C(=O)O MCULE-7642820980 [1,0,0,0,0,0|0,0,0]=1 183 B11R1.53 O=CC1=CC=CC=C1C(F)F MCULE-2300468842 [1,0,0,0,0,0|2,0,1]=4 184 B11R1.53 O=CC1=CC=CC=C1N(=O)=O MCULE-1037843730 [1,0,0,0,0,0|1,0,1]=3 185 B11R1.53 O=CC1=CC=CN=C1B(O)O MCULE-8937604621 [1,0,0,0,0,0|2,0,1]=4 186 B11R1.53 O=CC1=CC=NC=C1C(=O)O MCULE-7629200205 [1,0,0,0,0,0|1,0,0]=2 187 B11R1.53 O=CC1=CC=NC=C1N(=O)=O MCULE-1674968498 [1,0,0,0,0,0|2,0,1]=4 188 B11R1.53 O=CC1=CN=CC=C1N(=O)=O MCULE-9803832603 [1,0,0,0,0,0|2,0,1]=4 189 B11R1.53 O=CC1=NC=CC=C1B(O)O MCULE-5677686427 [1,0,0,0,0,0|2,0,1]=4 190 B11R1.53 O=CC1=NC=CC=C1N(=O)=O MCULE-1646230043 [1,0,0,0,0,0|2,0,1]=4 191 B11R1.53 O=N(=O)C1=CC=CC=C1CO MCULE-4220005125 [1,0,0,0,0,0|1,0,2]=4 192 B11R1.53 O=NC1=CC=CC=C1C(=O)O MCULE-4180896401 [1,0,0,0,0,0|1,0,0]=2 193 B11R1.53 O=[IH2]C1=C(C=CC=C1)C(=O)O MCULE-9514632532 [1,0,0,0,0,0|1,0,0]=2 194 B11R1.53 OCC1=C(C=CC=C1)B(O)O MCULE-8062703805 [1,0,0,0,0,0|1,0,2]=4 195 B13R1.165 CC(=O)C1=C(C=C(C=C1)Cl)N(=O)=O MCULE-6328973328 [0,1,0,0,0,0|2,0,1]=4 196 B13R1.165 CC(=O)C1=C(C=CC(=C1)Br)N(=O)=O MCULE-7933132664 [0,1,0,0,0,0|2,0,1]=4 197 B13R1.165 CC(=O)C1=C(C=CC(=C1)C)N(=O)=O MCULE-6656115293 [0,1,0,0,0,0|2,0,1]=4 198 B13R1.165 CC(=O)C1=C(C=CC(=C1)Cl)N(=O)=O MCULE-5895339153 [0,1,0,0,0,0|2,0,1]=4 199 B13R1.165 CC(=O)C1=CC(=CC=C1N(=O)=O)F MCULE-9208428461 [0,1,0,0,0,0|2,0,1]=4 200 B13R1.165 CC(=O)C1=CC(=CC=C1N(=O)=O)N MCULE-5153553822 [0,1,0,0,0,0|2,0,1]=4 201 B13R1.165 CC(=O)C1=CC(=CC=C1N(=O)=O)O MCULE-9459328675 [0,1,0,0,0,0|2,0,1]=4 202 B13R1.165 CC(=O)C1=CC(=CC=C1S(=O)C)C MCULE-2837615289 [0,1,0,0,0,0|3,0,0]=4 203 B13R1.165 CC(=O)C1=CC(=CN=C1C(=O)O)Cl MCULE-1949685492 [0,1,0,0,0,0|2,0,0]=3 204 B13R1.165 CC(=O)C1=CC=C(C=C1N(=O)=O)Br MCULE-7721187146 [0,1,0,0,0,0|2,0,1]=4 205 B13R1.165 CC(=O)C1=CC=C(C=C1N(=O)=O)C MCULE-4865352333 [0,1,0,0,0,0|2,0,1]=4 206 B13R1.165 CC(=O)C1=CC=C(C=C1N(=O)=O)F MCULE-4621787417 [0,1,0,0,0,0|2,0,1]=4 207 B13R1.165 CC(C)C1=C(C=C(C=C1)Cl)C(=O)O MCULE-7781528097 [0,1,0,0,0,0|2,0,1]=4 208 B13R1.165 CC(C)C1=C(C=C(C=C1)F)C(=O)O MCULE-9298732765 [0,1,0,0,0,0|2,0,1]=4 209 B13R1.165 CC(C)C1=C(C=CC(=C1)F)C(=O)O MCULE-1934149806 [0,1,0,0,0,0|2,0,1]=4 210 B13R1.165 CC(C)C1=C(C=CC(=C1)O)C(=O)O MCULE-6750342306 [0,1,0,0,0,0|2,0,1]=4 211 B13R1.165 CC(C)C1=CC(=CC=C1C(=O)O)Br MCULE-4918955745 [0,1,0,0,0,0|2,0,1]=4 212 B13R1.165 CC1=CC(=C(C=C1)C(=O)N)N(=O)=O MCULE-3648951974 [0,1,0,0,0,0|2,0,1]=4 213 B13R1.165 CC1=CC(=C(C=C1)C(=O)O)C(C)C MCULE-7488186600 [0,1,0,0,0,0|2,0,1]=4 214 B13R1.165 CC1=CC(=C(C=C1)N(=O)=O)C(=O)N MCULE-5785440615 [0,1,0,0,0,0|2,0,1]=4 215 B13R1.165 CC1=CC(=C(C=N1)N(=O)=O)C(=O)O MCULE-8168143165 [0,1,0,0,0,0|2,0,1]=4 216 B13R1.165 CC1=CC(=C(N=C1)C(=O)O)C(=O)O MCULE-2462642756 [0,1,0,0,0,0|1,0,0]=2 217 B13R1.165 CC1=CC=C(C(=C1)C(=O)O)B(O)O MCULE-2624096584 [0,1,0,0,0,0|1,0,1]=3 218 B13R1.165 CC1=CC=C(C(=C1)C(=O)O)C(=O)O MCULE-6306537858 [0,1,0,0,0,0|0,0,0]=1 219 B13R1.165 CC1=CC=C(C(=C1)C(=O)O)C(C)C MCULE-1322961778 [0,1,0,0,0,0|2,0,1]=4 220 B13R1.165 CC1=CC=C(C(=C1)C(=O)O)N(=O)=O MCULE-4320923819 [0,1,0,0,0,0|1,0,1]=3 221 B13R1.165 CC1=CC=C(C(=C1)N(=O)=O)C(=O)O MCULE-1221585993 [0,1,0,0,0,0|1,0,1]=3 222 B13R1.165 CC1=CC=C(C(=N1)C(=O)O)C(=O)O MCULE-6013186120 [0,1,0,0,0,0|1,0,0]=2 223 B13R1.165 CC1=CN=C(C(=N1)C(=O)O)C(=O)O MCULE-5205260254 [0,1,0,0,0,0|2,0,0]=3 224 B13R1.165 CC1=NC(=C(C=C1)N(=O)=O)C(=O)O MCULE-7491611479 [0,1,0,0,0,0|2,0,1]=4 225 B13R1.165 CN(C)C1=C(C=C(C=C1)Cl)C(=O)O MCULE-4904511239 [0,1,0,0,0,0|3,0,0]=4 226 B13R1.165 CN(C)C1=C(C=C(C=C1)F)C(=O)O MCULE-6466914403 [0,1,0,0,0,0|3,0,0]=4 227 B13R1.165 CN(C)C1=C(C=CC(=C1)Br)C(=O)O MCULE-3960813558 [0,1,0,0,0,0|3,0,0]=4 228 B13R1.165 CN(C)C1=C(C=CC(=C1)Br)C(=O)O MCULE-4660124536 [0,1,0,0,0,0|3,0,0]=4 229 B13R1.165 CN(C)C1=C(C=CC(=C1)Cl)C(=O)O MCULE-3091575753 [0,1,0,0,0,0|3,0,0]=4 230 B13R1.165 CN(C)C1=CC(=CC=C1C(=O)O)F MCULE-6620445074 [0,1,0,0,0,0|3,0,0]=4 231 B13R1.165 CN(C)C1=CC=C(C=C1C(=O)O)Br MCULE-5540134857 [0,1,0,0,0,0|3,0,0]=4 232 B13R1.165 CN(C)C1=CC=C(C=C1C(=O)O)N MCULE-1221566905 [0,1,0,0,0,0|3,0,0]=4 233 B13R1.165 NC(=O)C1=C(C=C(C=C1)Br)C(=O)N MCULE-6842624312 [0,1,0,0,0,0|2,0,0]=3 234 B13R1.165 NC(=O)C1=C(C=C(C=C1)Br)N(=O)=O MCULE-9777373596 [0,1,0,0,0,0|2,0,1]=4 235 B13R1.165 NC(=O)C1=C(C=C(C=C1)Cl)C(=O)N MCULE-2277696054 [0,1,0,0,0,0|2,0,0]=3 236 B13R1.165 NC(=O)C1=C(C=C(C=C1)Cl)N(=O)=O MCULE-8177942864 [0,1,0,0,0,0|2,0,1]=4 237 B13R1.165 NC(=O)C1=C(C=CC(=C1)Cl)N(=O)=O MCULE-5625007823 [0,1,0,0,0,0|2,0,1]=4 238 B13R1.165 NC(=O)C1=C(C=CC(=C1)F)N(=O)=O MCULE-4452374161 [0,1,0,0,0,0|2,0,1]=4 239 B13R1.165 NC(=O)C1=C(C=CC(=C1)N)N(=O)=O MCULE-8966493416 [0,1,0,0,0,0|2,0,1]=4 240 B13R1.165 NC(=O)C1=CC(=CC=C1B(O)O)F MCULE-8337177229 [0,1,0,0,0,0|2,0,1]=4 241 B13R1.165 NC(=O)C1=CC(=CC=C1N(=O)=O)Br MCULE-8048545789 [0,1,0,0,0,0|2,0,1]=4 242 B13R1.165 NC(=O)C1=CC=C(C=C1B(O)O)Br MCULE-7323952830 [0,1,0,0,0,0|2,0,1]=4 243 B13R1.165 NC(=O)C1=CC=C(C=C1B(O)O)Cl MCULE-5336099877 [0,1,0,0,0,0|2,0,1]=4 244 B13R1.165 NC(=O)C1=CC=C(C=C1C(=O)O)F MCULE-3292757970 [0,1,0,0,0,0|1,0,0]=2 245 B13R1.165 NC(=O)C1=CC=C(C=C1N(=O)=O)F MCULE-1767492538 [0,1,0,0,0,0|2,0,1]=4 246 B13R1.165 NC(=O)C1=CC=C(C=C1N(=O)=O)N MCULE-4327732857 [0,1,0,0,0,0|2,0,1]=4 247 B13R1.165 NC(=O)C1=CC=C(C=C1N(=O)=O)O MCULE-2858410417 [0,1,0,0,0,0|2,0,1]=4 248 B13R1.165 NC(=O)C1=NC=C(N=C1C(=O)O)O MCULE-1803093218 [0,1,0,0,0,0|3,0,0]=4 249 B13R1.165 NC1=CC(=C(C=C1)C(=O)O)C(=O)O MCULE-2601095976 [0,1,0,0,0,0|0,0,0]=1 250 B13R1.165 NC1=CC(=C(C=C1)N(=O)=O)C(=O)O MCULE-8637395916 [0,1,0,0,0,0|1,0,1]=3 251 B13R1.165 NC1=CC(=C(C=N1)N(=O)=O)C(=O)O MCULE-1281236221 [0,1,0,0,0,0|2,0,1]=4 252 B13R1.165 NC1=CC=C(C(=C1)N(=O)=O)C(=O)O MCULE-4820209497 [0,1,0,0,0,0|1,0,1]=3 253 B13R1.165 NC1=CN=C(C(=C1)C(=O)O)C(=O)O MCULE-1799747072 [0,1,0,0,0,0|1,0,0]=2 254 B13R1.165 O=C(Cl)C1=C(C=C(C=C1)F)N(=O)=O MCULE-4889371425 [0,1,0,0,0,0|2,0,1]=4 255 B13R1.165 O=C(Cl)C1=C(C=CC(=C1)F)N(=O)=O MCULE-7724069287 [0,1,0,0,0,0|2,0,1]=4 256 B13R1.165 O=C(Cl)C1=CC(=CC=C1N(=O)=O)Cl MCULE-5293316149 [0,1,0,0,0,0|2,0,1]=4 257 B13R1.165 O=C(Cl)C1=CC(=CC=C1N(=O)=O)O MCULE-5074455938 [0,1,0,0,0,0|2,0,1]=4 258 B13R1.165 O=C(Cl)C1=CC=C(C=C1N(=O)=O)Br MCULE-7624020723 [0,1,0,0,0,0|2,0,1]=4 259 B13R1.165 O=C(Cl)C1=CC=C(C=C1N(=O)=O)Cl MCULE-8178997563 [0,1,0,0,0,0|2,0,1]=4 260 B13R1.165 O=C(O)C1=C(C=C(C=C1)Br)N(=O)=O MCULE-3413134490 [0,1,0,0,0,0|1,0,1]=3 261 B13R1.165 O=C(O)C1=C(C=C(C=C1)Cl)N(=O)=O MCULE-3376104850 [0,1,0,0,0,0|1,0,1]=3 262 B13R1.165 O=C(O)C1=C(C=C(C=C1)F)B(O)O MCULE-8978858798 [0,1,0,0,0,0|1,0,1]=3 263 B13R1.165 O=C(O)C1=C(C=C(C=C1)F)C(=O)O MCULE-7412243131 [0,1,0,0,0,0|0,0,0]=1 264 B13R1.165 O=C(O)C1=C(C=C(C=C1)F)N(=O)=O MCULE-6016048250 [0,1,0,0,0,0|1,0,1]=3 265 B13R1.165 O=C(O)C1=C(C=C(C=C1)O)N(=O)=O MCULE-4948179476 [0,1,0,0,0,0|1,0,1]=3 266 B13R1.165 O=C(O)C1=C(C=C(N=C1)Cl)C(=O)O MCULE-7218761342 [0,1,0,0,0,0|1,0,0]=2 267 B13R1.165 O=C(O)C1=C(C=CC(=C1)Br)C(F)F MCULE-8698937241 [0,1,0,0,0,0|2,0,1]=4 268 B13R1.165 O=C(O)C1=C(C=CC(=C1)Cl)B(O)O MCULE-1426656606 [0,1,0,0,0,0|1,0,1]=3 269 B13R1.165 O=C(O)C1=C(C=CC(=C1)Cl)N(=O)=O MCULE-7767195023 [0,1,0,0,0,0|1,0,1]=3 270 B13R1.165 O=C(O)C1=C(C=CC(=C1)F)C(F)F MCULE-1587019133 [0,1,0,0,0,0|2,0,1]=4 271 B13R1.165 O=C(O)C1=C(C=CC(=C1)F)N(=O)=O MCULE-5787126169 [0,1,0,0,0,0|1,0,1]=3 272 B13R1.165 O=C(O)C1=C(C=CC(=C1)I)N(=O)=O MCULE-5162803243 [0,1,0,0,0,0|1,0,1]=3 273 B13R1.165 O=C(O)C1=C(C=CC(=C1)S)N(=O)=O MCULE-1522173034 [0,1,0,0,0,0|1,0,1]=3 274 B13R1.165 O=C(O)C1=C(C=NC(=C1)Br)N(=O)=O MCULE-5899760451 [0,1,0,0,0,0|2,0,1]=4 275 B13R1.165 O=C(O)C1=CC(=CC=C1B(O)O)F MCULE-9854707295 [0,1,0,0,0,0|1,0,1]=3 276 B13R1.165 O=C(O)C1=CC(=CC=C1N(=O)=O)Br MCULE-3596729548 [0,1,0,0,0,0|1,0,1]=3 277 B13R1.165 O=C(O)C1=CC(=CC=C1N(=O)=O)O MCULE-4152972626 [0,1,0,0,0,0|1,0,1]=3 278 B13R1.165 O=C(O)C1=CC(=CN=C1C(=O)O)Br MCULE-9616265983 [0,1,0,0,0,0|1,0,0]=2 279 B13R1.165 O=C(O)C1=CC(=CN=C1C(=O)O)Cl MCULE-8518393821 [0,1,0,0,0,0|1,0,0]=2 280 B13R1.165 O=C(O)C1=CC(=CN=C1C(=O)O)F MCULE-1579389970 [0,1,0,0,0,0|1,0,0]=2 281 B13R1.165 O=C(O)C1=CC(=CN=C1C(=O)O)F MCULE-6502636799 [0,1,0,0,0,0|1,0,0]=2 282 B13R1.165 O=C(O)C1=CC(=NC=C1N(=O)=O)Cl MCULE-4076912616 [0,1,0,0,0,0|2,0,1]=4 283 B13R1.165 O=C(O)C1=CC=C(C=C1B(O)O)Cl MCULE-2432688230 [0,1,0,0,0,0|1,0,1]=3 284 B13R1.165 O=C(O)C1=CC=C(C=C1C(=O)O)Br MCULE-2688694133 [0,1,0,0,0,0|0,0,0]=1 285 B13R1.165 O=C(O)C1=CC=C(C=C1C(=O)O)Cl MCULE-5893378263 [0,1,0,0,0,0|0,0,0]=1 286 B13R1.165 O=C(O)C1=CC=C(C=C1C(=O)O)I MCULE-8511341128 [0,1,0,0,0,0|0,0,0]=1 287 B13R1.165 O=C(O)C1=CC=C(C=C1C(=O)O)O MCULE-6366909615 [0,1,0,0,0,0|0,0,0]=1 288 B13R1.165 O=C(O)C1=CC=C(C=C1C(F)F)Br MCULE-7360991723 [0,1,0,0,0,0|2,0,1]=4 289 B13R1.165 O=C(O)C1=CC=C(C=C1N(=O)=O)I MCULE-4950523074 [0,1,0,0,0,0|1,0,1]=3 290 B13R1.165 O=C(O)C1=CC=C(N=C1C(=O)O)Cl MCULE-3110253642 [0,1,0,0,0,0|1,0,0]=2 291 B13R1.165 O=C(O)C1=CN=C(C=C1N(=O)=O)Br MCULE-6989165203 [0,1,0,0,0,0|2,0,1]=4 292 B13R1.165 O=C(O)C1=C[N+](=CC=C1N(=O)=O)[O-] MCULE-2758368380 [0,1,0,0,0,0|2,0,1]=4 293 B13R1.165 O=C(O)C1=NC(=CC=C1N(=O)=O)Cl MCULE-9123379029 [0,1,0,0,0,0|2,0,1]=4 294 B13R1.165 O=C(O)C1=NC=C(C=C1N(=O)=O)Br MCULE-4990437471 [0,1,0,0,0,0|2,0,1]=4 295 B13R1.165 O=C(O)C1=NC=C(C=C1N(=O)=O)Cl MCULE-2025818820 [0,1,0,0,0,0|2,0,1]=4 296 B13R1.165 O=C(O)C1=NC=C(N=C1C(=O)O)Cl MCULE-2183563279 [0,1,0,0,0,0|2,0,0]=3 297 B13R1.165 O=C(O)C1=NC=C(N=C1C(=O)O)O MCULE-7231122060 [0,1,0,0,0,0|2,0,0]=3 298 B13R1.165 O=C([O-])C1=C(C=C(C=N1)Br)C(=O)O MCULE-3775547550 [0,1,0,0,0,0|1,0,1]=3 299 B13R1.165 O=C([O-])C1=CC(=CC=C1C(=O)O)Cl MCULE-3930710419 [0,1,0,0,0,0|0,0,1]=2 300 B13R1.295 CC(=O)C1=C(C(=CC=C1)O)N(=O)=O MCULE-1351156277 [0,1,0,0,0,0|2,0,1]=4 301 B13R1.295 CC(=O)C1=C(C=CC=C1Cl)N(=O)=O MCULE-1480812734 [0,1,0,0,0,0|2,0,1]=4 302 B13R1.295 CC(=O)C1=C(C=CC=C1F)N(=O)=O MCULE-2822354670 [0,1,0,0,0,0|2,0,1]=4 303 B13R1.295 CC(=O)C1=C(C=CC=C1N(=O)=O)Br MCULE-6131489215 [0,1,0,0,0,0|2,0,1]=4 304 B13R1.295 CC(=O)C1=C(C=CC=C1N(=O)=O)N MCULE-2320675174 [0,1,0,0,0,0|2,0,1]=4 305 B13R1.295 CC(=O)C1=CC=CC(=C1N(=O)=O)Br MCULE-3494430345 [0,1,0,0,0,0|2,0,1]=4 306 B13R1.295 CC(=O)C1=CC=CC(=C1N(=O)=O)Cl MCULE-5945826346 [0,1,0,0,0,0|2,0,1]=4 307 B13R1.295 CC(=O)C1=CC=CC(=C1N(=O)=O)F MCULE-6897224840 [0,1,0,0,0,0|2,0,1]=4 308 B13R1.295 CC1=C(C(=CC=C1)C(=O)N)N(=O)=O MCULE-9522651241 [0,1,0,0,0,0|2,0,1]=4 309 B13R1.295 CC1=C(C(=CC=C1)C(=O)O)C(=O)O MCULE-4941517810 [0,1,0,0,0,0|0,0,0]=1 310 B13R1.295 CC1=C(C(=CC=C1)C(=O)O)N(=O)=O MCULE-7346938921 [0,1,0,0,0,0|1,0,1]=3 311 B13R1.295 CC1=C(C(=CC=C1)N(=O)=O)C(=O)Cl MCULE-6221039074 [0,1,0,0,0,0|2,0,1]=4 312 B13R1.295 CC1=C(C(=CC=C1)N(=O)=O)C(=O)N MCULE-6145032217 [0,1,0,0,0,0|2,0,1]=4 313 B13R1.295 CC1=C(C(=CC=C1)N(=O)=O)C(=O)O MCULE-1416023209 [0,1,0,0,0,0|1,0,1]=3 314 B13R1.295 CC1=C(C(=NC=C1)C(=O)O)C(=O)O MCULE-7548204158 [0,1,0,0,0,0|1,0,0]=2 315 B13R1.295 CC1=CC=CC(=C1C(=O)O)C(C)C MCULE-9735225523 [0,1,0,0,0,0|2,0,1]=4 316 B13R1.295 CC1=NC=CC(=C1N(=O)=O)C(=O)O MCULE-3150152404 [0,1,0,0,0,0|2,0,1]=4 317 B13R1.295 CN(C)C1=C(C(=CC=C1)Br)C(=O)O MCULE-8032859107 [0,1,0,0,0,0|3,0,0]=4 318 B13R1.295 CN(C)C1=C(C(=CC=C1)Cl)C(=O)O MCULE-6997872201 [0,1,0,0,0,0|3,0,0]=4 319 B13R1.295 CN(C)C1=C(C(=CC=C1)F)C(=O)O MCULE-6416738772 [0,1,0,0,0,0|3,0,0]=4 320 B13R1.295 CN(C)C1=C(C(=CC=C1)I)C(=O)O MCULE-7619334568 [0,1,0,0,0,0|3,0,0]=4 321 B13R1.295 CN(C)C1=C(C=CC=C1Br)C(=O)O MCULE-5393210922 [0,1,0,0,0,0|3,0,0]=4 322 B13R1.295 CN(C)C1=C(C=CC=C1Cl)C(=O)O MCULE-3945118032 [0,1,0,0,0,0|3,0,0]=4 323 B13R1.295 CN(C)C1=C(C=CC=C1F)C(=O)O MCULE-2633899827 [0,1,0,0,0,0|3,0,0]=4 324 B13R1.295 NC(=O)C1=C(C(=CC=C1)F)C(=O)N MCULE-1919487170 [0,1,0,0,0,0|2,0,0]=3 325 B13R1.295 NC(=O)C1=C(C(=CC=C1)N)N(=O)=O MCULE-2056180200 [0,1,0,0,0,0|2,0,1]=4 326 B13R1.295 NC(=O)C1=C(C=CC=C1Cl)N(=O)=O MCULE-8111451282 [0,1,0,0,0,0|2,0,1]=4 327 B13R1.295 NC(=O)C1=C(C=CC=C1F)N(=O)=O MCULE-8656458999 [0,1,0,0,0,0|2,0,1]=4 328 B13R1.295 NC(=O)C1=C(C=CC=C1N(=O)=O)N MCULE-6968378487 [0,1,0,0,0,0|2,0,1]=4 329 B13R1.295 NC1=C(C(=CC=C1)C(=O)O)C(=O)O MCULE-1472462304 [0,1,0,0,0,0|0,0,0]=1 330 B13R1.295 NC1=C(C(=CC=C1)C(=O)O)N(=O)=O MCULE-4267842294 [0,1,0,0,0,0|1,0,1]=3 331 B13R1.295 NC1=C(C(=CC=C1)N(=O)=O)C(=O)O MCULE-8408819089 [0,1,0,0,0,0|1,0,1]=3 332 B13R1.295 NC1=C(C(=CC=N1)C(=O)O)N(=O)=O MCULE-9997492975 [0,1,0,0,0,0|2,0,1]=4 333 B13R1.295 NC1=CC=CC(=C1C(=O)O)C(=O)O MCULE-3815428212 [0,1,0,0,0,0|0,0,0]=1 334 B13R1.295 O=C(Cl)C1=C(C(=CC=C1)Cl)N(=O)=O MCULE-5328057527 [0,1,0,0,0,0|2,0,1]=4 335 B13R1.295 O=C(Cl)C1=C(C=CC=C1Cl)N(=O)=O MCULE-4595150492 [0,1,0,0,0,0|2,0,1]=4 336 B13R1.295 O=C(Cl)C1=C(C=CC=C1N(=O)=O)F MCULE-8718948791 [0,1,0,0,0,0|2,0,1]=4 337 B13R1.295 O=C(Cl)C1=CC=CC(=C1C(=O)Cl)Br MCULE-2408157606 [0,1,0,0,0,0|2,0,0]=3 338 B13R1.295 O=C(Cl)C1=CC=CC(=C1N(=O)=O)F MCULE-4890085575 [0,1,0,0,0,0|2,0,1]=4 339 B13R1.295 O=C(O)C1=C(C(=CC=C1)Br)C(=O)O MCULE-2987291944 [0,1,0,0,0,0|0,0,0]=1 340 B13R1.295 O=C(O)C1=C(C(=CC=C1)Br)N(=O)=O MCULE-5575271565 [0,1,0,0,0,0|1,0,1]=3 341 B13R1.295 O=C(O)C1=C(C(=CC=C1)Cl)N(=O)=O MCULE-8112793088 [0,1,0,0,0,0|1,0,1]=3 342 B13R1.295 O=C(O)C1=C(C(=CC=C1)F)N(=O)=O MCULE-4365988818 [0,1,0,0,0,0|1,0,1]=3 343 B13R1.295 O=C(O)C1=C(C(=CN=C1)Br)C(=O)O MCULE-5100761753 [0,1,0,0,0,0|1,0,0]=2 344 B13R1.295 O=C(O)C1=C(C(=CN=C1)Cl)C(=O)O MCULE-1787829775 [0,1,0,0,0,0|1,0,0]=2 345 B13R1.295 O=C(O)C1=C(C(=NC=C1)Cl)C(=O)O MCULE-4328818101 [0,1,0,0,0,0|1,0,0]=2 346 B13R1.295 O=C(O)C1=C(C(=NC=C1)Cl)N(=O)=O MCULE-9841614223 [0,1,0,0,0,0|2,0,1]=4 347 B13R1.295 O=C(O)C1=C(C=CC=C1B(O)O)F MCULE-3402463259 [0,1,0,0,0,0|1,0,1]=3 348 B13R1.295 O=C(O)C1=C(C=CC=C1C(F)F)Br MCULE-7421717022 [0,1,0,0,0,0|2,0,1]=4 349 B13R1.295 O=C(O)C1=C(C=CC=C1Cl)B(O)O MCULE-6520480866 [0,1,0,0,0,0|1,0,1]=3 350 B13R1.295 O=C(O)C1=C(C=CC=C1Cl)N(=O)=O MCULE-5155184712 [0,1,0,0,0,0|1,0,1]=3 351 B13R1.295 O=C(O)C1=C(C=CC=C1N(=O)=O)Br MCULE-4666580066 [0,1,0,0,0,0|1,0,1]=3 352 B13R1.295 O=C(O)C1=C(C=CC=C1N(=O)=O)F MCULE-9324018001 [0,1,0,0,0,0|1,0,1]=3 353 B13R1.295 O=C(O)C1=C(C=CC=C1N(=O)=O)I MCULE-6043813960 [0,1,0,0,0,0|1,0,1]=3 354 B13R1.295 O=C(O)C1=C(C=CC=C1O)N(=O)=O MCULE-6942651523 [0,1,0,0,0,0|1,0,1]=3 355 B13R1.295 O=C(O)C1=C(C=NC=C1Br)N(=O)=O MCULE-1523617582 [0,1,0,0,0,0|2,0,1]=4 356 B13R1.295 O=C(O)C1=C(C=NC=C1Cl)N(=O)=O MCULE-3356988624 [0,1,0,0,0,0|2,0,1]=4 357 B13R1.295 O=C(O)C1=CC=CC(=C1C(=O)O)Cl MCULE-9559389453 [0,1,0,0,0,0|0,0,0]=1 358 B13R1.295 O=C(O)C1=CC=CC(=C1C(=O)O)F MCULE-7732883800 [0,1,0,0,0,0|0,0,0]=1 359 B13R1.295 O=C(O)C1=CC=CC(=C1C(=O)O)I MCULE-5657824424 [0,1,0,0,0,0|0,0,0]=1 360 B13R1.295 O=C(O)C1=CC=CC(=C1C(=O)O)O MCULE-2125757137 [0,1,0,0,0,0|0,0,0]=1 361 B13R1.295 O=C(O)C1=CC=CC(=C1N(=O)=O)O MCULE-1899116810 [0,1,0,0,0,0|1,0,1]=3 362 B13R1.295 O=C(O)C1=CN=CC(=C1B(O)O)F MCULE-6491878737 [0,1,0,0,0,0|2,0,1]=4 363 B13R1.295 O=C(O)C1=NC=CC(=C1C(=O)O)Cl MCULE-4255560340 [0,1,0,0,0,0|1,0,0]=2 364 B13R1.349 CC(=O)C1=CC=CC=C1S(=O)(=O)C MCULE-3543837479 [0,1,0,0,0,0|2,0,1]=4 365 B13R1.349 CC(C)(C)C1=C(C=CC=C1)C(=O)O MCULE-6244458431 [0,1,0,0,0,0|2,0,1]=4 366 B13R1.349 CC(F)(F)C1=C(C=CC=C1)C(=O)O MCULE-7843847539 [0,1,0,0,0,0|2,0,1]=4 367 B13R1.349 CP(=O)(C)C1=C(C=CC=C1)C(=O)O MCULE-8561135633 [0,1,0,0,0,0|2,0,0]=3 368 B13R1.349 CS(=O)(=O)C1=C(C=CC=C1)C(=O)Cl MCULE-8072869606 [0,1,0,0,0,0|2,0,1]=4 369 B13R1.349 CS(=O)(=O)C1=C(C=CC=C1)C(=O)O MCULE-6380177013 [0,1,0,0,0,0|1,0,1]=3 370 B13R1.349 CS(=O)(=O)C1=C(N=CC=C1)C(=O)O MCULE-7522706696 [0,1,0,0,0,0|2,0,1]=4 371 B13R1.349 NS(=O)(=O)C1=CC=CC=C1C(=O)O MCULE-2793669822 [0,1,0,0,0,0|1,0,1]=3 372 B13R1.349 O=C(O)C1=C(C=CC=C1)C(F)(F)F MCULE-2565421137 [0,1,0,0,0,0|2,0,1]=4 373 B13R1.349 O=C(O)C1=C(C=CC=C1)S(=O)(=O)Cl MCULE-6209736734 [0,1,0,0,0,0|1,0,1]=3 374 B13R1.349 O=C(O)C1=C(C=CC=C1)S(=O)(=O)O MCULE-3721052746 [0,1,0,0,0,0|1,0,0]=2 375 B13R1.349 O=C([O-])C1=CC=CC=C1S(=O)(=O)O MCULE-3282855595 [0,1,0,0,0,0|1,0,1]=3 376 B13R1.349 O=N(=O)C1=C(C=CC=C1)S(=O)(=O)O MCULE-2438612081 [0,1,0,0,0,0|2,0,1]=4 377 B13R1.349 O=N(=O)C1=CC=CC=C1[As](=O)(O)O MCULE-3457447244 [0,1,0,0,0,0|2,0,1]=4 378 B13R1.547 C=C[C@@H](N)C1=CC=CC=C1C(=O)O MCULE-5385040366 [0,1,0,0,0,0|2,0,1]=4 379 B13R1.547 C=C[C@@H](N)C1=CC=CC=C1C(=O)O MCULE-6660050815 [0,1,0,0,0,0|2,0,1]=4 380 B13R1.547 C=C[C@H](N)C1=CC=CC=C1C(=O)O MCULE-8503371177 [0,1,0,0,0,0|2,0,1]=4 381 B13R1.547 C=C[C@H](N)C1=CC=CC=C1C(=O)O MCULE-9475982336 [0,1,0,0,0,0|2,0,1]=4 382 B13R1.547 CC(=NO)C1=C(C=CC=C1)C(=O)O MCULE-4038806816 [0,1,0,0,0,0|1,0,0]=2 383 B13R1.547 CCC(=O)C1=C(C=CC=C1)N(=O)=O MCULE-8996782177 [0,1,0,0,0,0|2,0,1]=4 384 B13R1.547 CCC(=O)C1=CC=CC=C1C(=O)O MCULE-8857715556 [0,1,0,0,0,0|1,0,0]=2 385 B13R1.547 CCS(=O)C1=C(C=CC=C1)C(=O)O MCULE-9408058966 [0,1,0,0,0,0|2,0,0]=3 386 B13R1.547 CC[C@@H](N)C1=CC=CC=C1C(=O)O MCULE-9008393501 [0,1,0,0,0,0|2,0,1]=4 387 B13R1.547 CC[C@@H](N)C1=CC=CC=C1C(=O)O MCULE-9574810428 [0,1,0,0,0,0|2,0,1]=4 388 B13R1.547 CC[C@H](N)C1=CC=CC=C1C(=O)O MCULE-5100687880 [0,1,0,0,0,0|2,0,1]=4 389 B13R1.547 CC[C@H](N)C1=CC=CC=C1C(=O)O MCULE-8276676399 [0,1,0,0,0,0|2,0,1]=4 390 B13R1.547 CNC(=O)C1=CC=CC=C1B(O)O MCULE-2641019386 [0,1,0,0,0,0|2,0,1]=4 391 B13R1.547 CNC(=O)C1=CC=CC=C1N(=O)=O MCULE-8861165268 [0,1,0,0,0,0|2,0,1]=4 392 B13R1.547 CNC(=O)C1=NC=CN=C1C(=O)O MCULE-4975160498 [0,1,0,0,0,0|3,0,0]=4 393 B13R1.547 COC(=O)C1=C(C=CC=C1)C(C)N MCULE-9456482440 [0,1,0,0,0,0|2,0,1]=4 394 B13R1.547 COC(=O)C1=C(C=CC=C1)N(=O)=O MCULE-4421008798 [0,1,0,0,0,0|1,0,1]=3 395 B13R1.547 COC(=O)C1=C(C=CC=C1)S(=O)C MCULE-4096864674 [0,1,0,0,0,0|2,0,0]=3 396 B13R1.547 COC(=O)C1=C(C=CC=N1)C(=O)O MCULE-6502575594 [0,1,0,0,0,0|1,0,0]=2 397 B13R1.547 COC(=O)C1=C(C=CN=C1)C(=O)O MCULE-5190481841 [0,1,0,0,0,0|1,0,0]=2 398 B13R1.547 COC(=O)C1=C(C=NC=C1)B(O)O MCULE-4609888514 [0,1,0,0,0,0|2,0,1]=4 399 B13R1.547 COC(=O)C1=C(C=NC=C1)C(=O)O MCULE-8310141411 [0,1,0,0,0,0|1,0,0]=2 400 B13R1.547 COC(=O)C1=C(N=CC=C1)C(=O)C MCULE-2431708307 [0,1,0,0,0,0|2,0,0]=3 401 B13R1.547 COC(=O)C1=C(N=CC=C1)N(=O)=O MCULE-1842202114 [0,1,0,0,0,0|2,0,1]=4 402 B13R1.547 COC(=O)C1=CC=CC=C1B(O)O MCULE-7662214031 [0,1,0,0,0,0|1,0,1]=3 403 B13R1.547 COC(=O)C1=CC=CC=C1C(=O)C MCULE-6297416373 [0,1,0,0,0,0|1,0,0]=2 404 B13R1.547 COC(=O)C1=CC=CC=C1C(=O)Cl MCULE-9936711468 [0,1,0,0,0,0|1,0,0]=2 405 B13R1.547 COC(=O)C1=CC=CC=C1C(=O)N MCULE-9145284532 [0,1,0,0,0,0|1,0,0]=2 406 B13R1.547 COC(=O)C1=CC=CC=C1C(=O)O MCULE-2559625268 [0,1,0,0,0,0|0,0,0]=1 407 B13R1.547 COC(=O)C1=CC=CC=C1C(C)C MCULE-6101750508 [0,1,0,0,0,0|2,0,1]=4 408 B13R1.547 COC(=O)C1=CC=CC=C1C(C)N MCULE-2801378666 [0,1,0,0,0,0|2,0,1]=4 409 B13R1.547 COC(=O)C1=CC=CC=C1C(F)F MCULE-8039596351 [0,1,0,0,0,0|2,0,1]=4 410 B13R1.547 COC(=O)C1=CC=CC=C1N(C)C MCULE-2368784224 [0,1,0,0,0,0|3,0,0]=4 411 B13R1.547 COC(=O)C1=CC=CC=C1[C@@H](C)N MCULE-1755314078 [0,1,0,0,0,0|2,0,1]=4 412 B13R1.547 COC(=O)C1=CC=CC=C1[C@@H](C)N MCULE-5474438654 [0,1,0,0,0,0|2,0,1]=4 413 B13R1.547 COC(=O)C1=CC=CC=C1[C@H](C)N MCULE-2133761948 [0,1,0,0,0,0|2,0,1]=4 414 B13R1.547 COC(=O)C1=CC=CC=C1[C@H](C)N MCULE-3600350428 [0,1,0,0,0,0|2,0,1]=4 415 B13R1.547 COC(=O)C1=CC=CN=C1B(O)O MCULE-8092082855 [0,1,0,0,0,0|2,0,1]=4 416 B13R1.547 COC(=O)C1=CC=CN=C1C(=O)O MCULE-4488787192 [0,1,0,0,0,0|1,0,0]=2 417 B13R1.547 COC(=O)C1=CC=NC=C1N(=O)=O MCULE-9404283378 [0,1,0,0,0,0|2,0,1]=4 418 B13R1.547 COC(=O)C1=NC=CC=C1C(=O)N MCULE-3333569633 [0,1,0,0,0,0|2,0,0]=3 419 B13R1.547 COC(=O)C1=NC=CC=C1N(=O)=O MCULE-6813155695 [0,1,0,0,0,0|2,0,1]=4 420 B13R1.547 COC(=O)C1=NC=CN=C1C(=O)O MCULE-2446278182 [0,1,0,0,0,0|2,0,0]=3 421 B13R1.547 NC[C@@H](N)C1=CC=CC=C1C(=O)O MCULE-1352554914 [0,1,0,0,0,0|2,0,1]=4 422 B13R1.547 NC[C@@H](N)C1=CC=CC=C1C(=O)O MCULE-4669578884 [0,1,0,0,0,0|2,0,1]=4 423 B13R1.547 NC[C@H](N)C1=CC=CC=C1C(=O)O MCULE-7466303887 [0,1,0,0,0,0|2,0,1]=4 424 B13R1.547 NC[C@H](N)C1=CC=CC=C1C(=O)O MCULE-9918620005 [0,1,0,0,0,0|2,0,1]=4 425 B13R1.547 NNC(=O)C1=C(C=CC=C1)N(=O)=O MCULE-6800187078 [0,1,0,0,0,0|2,0,1]=4 426 B13R1.547 NNC(=O)C1=CC=CC=C1N(=O)=O MCULE-5052595726 [0,1,0,0,0,0|2,0,1]=4 427 B13R1.547 N[C@@H](CF)C1=CC=CC=C1C(=O)O MCULE-1542893430 [0,1,0,0,0,0|2,0,1]=4 428 B13R1.547 N[C@@H](CF)C1=CC=CC=C1C(=O)O MCULE-6848929765 [0,1,0,0,0,0|2,0,1]=4 429 B13R1.547 N[C@@H](CO)C1=C(C=CC=C1)C(=O)O MCULE-1955749189 [0,1,0,0,0,0|1,0,1]=3 430 B13R1.547 N[C@@H](CO)C1=CC=CC=C1C(=O)O MCULE-5022798616 [0,1,0,0,0,0|1,0,1]=3 431 B13R1.547 N[C@H](CF)C1=CC=CC=C1C(=O)O MCULE-3814281072 [0,1,0,0,0,0|2,0,1]=4 432 B13R1.547 N[C@H](CF)C1=CC=CC=C1C(=O)O MCULE-3832753154 [0,1,0,0,0,0|2,0,1]=4 433 B13R1.547 N[C@H](CO)C1=C(C=CC=C1)C(=O)O MCULE-8482127173 [0,1,0,0,0,0|1,0,1]=3 434 B13R1.547 N[C@H](CO)C1=CC=CC=C1C(=O)O MCULE-6982607666 [0,1,0,0,0,0|1,0,1]=3 435 B13R1.547 O=C(CBr)C1=C(C=CC=C1)N(=O)=O MCULE-7558377052 [0,1,0,0,0,0|2,0,1]=4 436 B13R1.547 O=C(CO)C1=C(C=CC=C1)N(=O)=O MCULE-4645124163 [0,1,0,0,0,0|1,0,1]=3 437 B13R1.547 O=C(O)C1=C(C=CC=C1)C(=O)OO MCULE-6120306346 [0,1,0,0,0,0|0,0,0]=1 438 B13R1.547 O=C(O)C1=CC=CC=C1C(=O)CBr MCULE-4728185281 [0,1,0,0,0,0|1,0,0]=2 439 B13R1.547 O=[N+]([O-])C1=C(C=CC=C1)C(=NO)Cl MCULE-7645628162 [0,1,0,0,0,0|2,0,1]=4 440 B13R2.371 C=C1COC(=O)C2=CC=CC=C12 MCULE-8866219753 [0,0,0,1,0,0|2,0,0]=3 441 B13R2.371 CC1=C2C=CC=CC2=C(C=C1)O MCULE-5463792412 [0,0,0,1,0,0|3,0,0]=4 442 B13R2.371 CC1=NNC(=O)C2=CC=CC=C12 MCULE-4792626984 [0,0,0,1,0,0|3,0,0]=4 443 B13R2.371 CC1=NOC(=O)C2=C1C=CC=C2 MCULE-2388408846 [0,0,0,1,0,0|2,0,0]=3 444 B13R2.371 NC1=CC=C(C2=C1C=CC=C2)O MCULE-6516485438 [0,0,0,1,0,0|3,0,0]=4 445 B13R2.371 NC1=CNC(=O)C2=C1C=CC=C2 MCULE-9213395952 [0,0,0,1,0,0|3,0,0]=4 446 B13R2.371 NC1=CNC(=O)C2=C1C=CC=C2 MCULE-9887883955 [0,0,0,1,0,0|3,0,0]=4 447 B13R2.371 NC1=NN=C(C2=CC=CC=C12)O MCULE-5393037288 [0,0,0,1,0,0|3,0,0]=4 448 B13R2.371 O=C1C=CC(=O)C2=C1C=CC=N2 MCULE-3047877971 [0,0,0,1,0,0|3,0,0]=4 449 B13R2.371 O=C1C=CC(=O)C2=CC=CC=C12 MCULE-4996549760 [0,0,0,1,0,0|2,0,0]=3 450 B13R2.371 O=C1CCC(=O)C2=C1C=CC=N2 MCULE-7714280079 [0,0,0,1,0,0|3,0,0]=4 451 B13R2.371 O=C1CCC(C2=C1C=CC=C2)O MCULE-5111977249 [0,0,0,1,0,0|2,0,1]=4 452 B13R2.371 O=C1CNC(=O)C2=C1C=CC=C2 MCULE-3073541529 [0,0,0,1,0,0|2,0,0]=3 453 B13R2.371 O=C1COC(=O)C2=C1C=CC=C2 MCULE-9148401423 [0,0,0,1,0,0|1,0,0]=2 454 B13R2.371 O=C1N=NC(=O)C2=C1C=CC=C2 MCULE-4266121017 [0,0,0,1,0,0|2,0,0]=3 455 B13R2.371 O=C1NC=C(C2=C1C=CC=C2)I MCULE-4212966004 [0,0,0,1,0,0|3,0,0]=4 456 B13R2.371 O=C1NC=C(C2=C1C=CC=C2)O MCULE-7115915922 [0,0,0,1,0,0|2,0,0]=3 457 B13R2.371 O=C1NC=C(C2=CC=CC=C12)Br MCULE-7288601299 [0,0,0,1,0,0|3,0,0]=4 458 B13R2.371 O=C1NN=C(C2=C1C=CC=C2)Br MCULE-6830497587 [0,0,0,1,0,0|3,0,0]=4 459 B13R2.371 O=C1NN=C(C2=CC=CC=C12)Cl MCULE-5361350049 [0,0,0,1,0,0|3,0,0]=4 460 B13R2.371 O=C1NNC(=O)C2=C1C=CN=C2 MCULE-1180603263 [0,0,0,1,0,0|3,0,0]=4 461 B13R2.371 O=C1OCC(C2=C1C=CC=C2)Br MCULE-9188736915 [0,0,0,1,0,0|2,0,1]=4 462 B13R2.371 OC1=C2C=CC=CC2=C(C=C1)Cl MCULE-8639360849 [0,0,0,1,0,0|3,0,0]=4 463 B13R2.371 OC1=C2C=CC=CC2=C(C=C1)I MCULE-6760298511 [0,0,0,1,0,0|3,0,0]=4 464 B13R2.371 OC1=C2C=CC=CC2=C(C=C1)O MCULE-1542999250 [0,0,0,1,0,0|2,0,0]=3 465 B13R2.371 OC1=C2C=CC=CC2=C(C=N1)Cl MCULE-2430109340 [0,0,0,1,0,0|3,0,0]=4 466 B13R2.371 OC1=C2C=CC=CC2=C(N=C1)Br MCULE-4010538805 [0,0,0,1,0,0|3,0,0]=4 467 B13R2.371 OC1=CC=C(C2=C1C=CC=C2)F MCULE-7246061255 [0,0,0,1,0,0|3,0,0]=4 468 B13R2.371 OC1=CC=C(C2=CC=CC=C12)Br MCULE-8557972747 [0,0,0,1,0,0|3,0,0]=4 469 B13R2.371 OC1=CN=C(C2=C1C=CC=C2)Cl MCULE-5099975879 [0,0,0,1,0,0|3,0,0]=4 470 B13R2.371 OC1=NC=C(C2=C1C=CC=C2)F MCULE-4922383066 [0,0,0,1,0,0|3,0,0]=4 471 B13R2.371 OC1=NN=C(C2=C1C=CC=C2)O MCULE-2682724274 [0,0,0,1,0,0|2,0,0]=3 472 B13R2.371 OC1=NN=C(C2=NC=CC=C12)O MCULE-4307690750 [0,0,0,1,0,0|3,0,0]=4 473 B13R2.371 [NH3+]C1=CC=C(C2=CC=CC=C12)O MCULE-4867278574 [0,0,0,1,0,0|3,0,0]=4 474 B13R2.5514 O=C(O)C1=C(C=CC=C1)C2CC2 MCULE-9832471398 [0,0,0,1,0,0|2,0,1]=4 475 B13R2.12159 CC1(OC(=O)C2=CC=CC=C12)C MCULE-1010374704 [0,0,0,1,0,0|2,0,1]=4 476 B13R2.12159 CC1(OC(=O)C2=CC=CN=C12)O MCULE-4535220572 [0,0,0,1,0,0|2,0,1]=4 477 B13R2.12159 O=C1CS(=O)(=O)C2=C1C=CC=C2 MCULE-9345103891 [0,0,0,1,0,0|2,0,1]=4 478 B13R2.12159 O=C1NS(=O)(=O)C2=C1C=CC=C2 MCULE-3632531025 [0,0,0,1,0,0|2,0,1]=4 479 B13R2.12159 O=C1OI(=O)(C2=CC=CC=C12)O MCULE-1032859726 [0,0,0,1,0,0|1,0,0]=2 480 B13R2.12159 O=C1OS(=O)(=O)C2=C1C=CC=C2 MCULE-3338526108 [0,0,0,1,0,0|1,0,1]=3 481 B13R2.12159 O=C1SS(=O)(=O)C2=C1C=CC=C2 MCULE-6547999070 [0,0,0,1,0,0|1,1,1]=4 482 B11R1.178 CC(=O)C1=C(N=CS1)C(=O)O MCULE-4154247064 [0,0,0,0,1,0|3,0,0]=4 483 B11R1.178 CC(=O)C1=C(SC=C1)C(=O)O MCULE-7282562865 [0,0,0,0,1,0|2,0,0]=3 484 B11R1.178 NC(=O)C1=C(N=CN1)C(=O)O MCULE-6089389048 [0,0,0,0,1,0|3,0,0]=4 485 B11R1.178 NC(=O)C1=NNC=C1C(=O)O MCULE-6301926658 [0,0,0,0,1,0|3,0,0]=4 486 B11R1.178 O=C(Cl)C1=CSC=C1C(=O)Cl MCULE-5426792958 [0,0,0,0,1,0|3,0,0]=4 487 B11R1.178 O=C(O)C1=C(C=CO1)B(O)O MCULE-7551124670 [0,0,0,0,1,0|2,0,1]=4 488 B11R1.178 O=C(O)C1=C(C=CS1)B(O)O MCULE-7292007423 [0,0,0,0,1,0|2,0,1]=4 489 B11R1.178 O=C(O)C1=C(C=CS1)N(=O)=O MCULE-8933740153 [0,0,0,0,1,0|2,0,1]=4 490 B11R1.178 O=C(O)C1=C(C=CS1)S(=O)O MCULE-8261798776 [0,0,0,0,1,0|2,0,0]=3 491 B11R1.178 O=C(O)C1=C(CCC1)C(=O)O MCULE-7488890401 [0,0,0,0,1,0|0,0,3]=4 492 B11R1.178 O=C(O)C1=C(NC=C1)C(=O)O MCULE-1373109441 [0,0,0,0,1,0|1,0,0]=2 493 B11R1.178 O=C(O)C1=C(NC=N1)C(=O)O MCULE-1931399717 [0,0,0,0,1,0|2,0,0]=3 494 B11R1.178 O=C(O)C1=C(NN=N1)C(=O)O MCULE-1381188517 [0,0,0,0,1,0|3,0,0]=4 495 B11R1.178 O=C(O)C1=C(OC=C1)B(O)O MCULE-1203218429 [0,0,0,0,1,0|2,0,1]=4 496 B11R1.178 O=C(O)C1=C(OC=C1)C(=O)O MCULE-4306167384 [0,0,0,0,1,0|1,0,0]=2 497 B11R1.178 O=C(O)C1=C(SC=C1)B(O)O MCULE-8582760647 [0,0,0,0,1,0|2,0,1]=4 498 B11R1.178 O=C(O)C1=C(SC=C1)C(=O)O MCULE-3080958558 [0,0,0,0,1,0|1,0,0]=2 499 B11R1.178 O=C(O)C1=C(SC=N1)C(=O)O MCULE-5518715016 [0,0,0,0,1,0|2,0,0]=3 500 B11R1.178 O=C(O)C1=C(SN=C1)C(=O)O MCULE-4283603236 [0,0,0,0,1,0|2,0,0]=3 501 B11R1.178 O=C(O)C1=CNC=C1C(=O)O MCULE-7616358531 [0,0,0,0,1,0|1,0,0]=2 502 B11R1.178 O=C(O)C1=CNN=C1C(=O)O MCULE-9652609197 [0,0,0,0,1,0|2,0,0]=3 503 B11R1.178 O=C(O)C1=COC=C1C(=O)O MCULE-1360937496 [0,0,0,0,1,0|1,0,0]=2 504 B11R1.178 O=C(O)C1=CSC=C1C(=O)O MCULE-6540962743 [0,0,0,0,1,0|1,0,0]=2 505 B11R1.178 O=C(O)C1=NON=C1C(=O)O MCULE-8665624488 [0,0,0,0,1,0|3,0,0]=4 506 B11R1.178 O=C(O)C1=NSN=C1C(=O)O MCULE-7013023117 [0,0,0,0,1,0|3,0,0]=4 507 B13R1.589 C=C(Br)CC1=C(C=CC=C1)C(=O)O MCULE-2523429493 [0,0,0,0,0,1|2,0,0]=3 508 B13R1.589 C=C(C)C1=CC=CC=C1NC(=O)C MCULE-4027920791 [0,0,0,0,0,1|3,0,0]=4 509 B13R1.589 C=C(C)CC1=C(C=CC=C1)C(=O)O MCULE-9204819801 [0,0,0,0,0,1|2,0,0]=3 510 B13R1.589 C=C(Cl)CC1=C(C=CC=C1)C(=O)O MCULE-9654249889 [0,0,0,0,0,1|2,0,0]=3 511 B13R1.589 CC(=O)CC1=C(C=CC=C1)N(=O)=O MCULE-8058926258 [0,0,0,0,0,1|2,0,1]=4 512 B13R1.589 CC(=O)CC1=CC=CC=C1C(=O)O MCULE-9138117669 [0,0,0,0,0,1|1,0,0]=2 513 B13R1.589 CC(=O)NC1=C(C=CC=C1)C(=O)C MCULE-7612602253 [0,0,0,0,0,1|2,0,0]=3 514 B13R1.589 CC(=O)NC1=C(C=CC=C1)C(=O)N MCULE-5393805902 [0,0,0,0,0,1|2,0,0]=3 515 B13R1.589 CC(=O)NC1=C(C=CN=C1)C(=O)O MCULE-5829506832 [0,0,0,0,0,1|2,0,0]=3 516 B13R1.589 CC(=O)NC1=C(C=NC=C1)C(=O)N MCULE-8367142153 [0,0,0,0,0,1|3,0,0]=4 517 B13R1.589 CC(=O)NC1=C(N=CC=C1)C(=O)O MCULE-3149748082 [0,0,0,0,0,1|2,0,0]=3 518 B13R1.589 CC(=O)NC1=CC=CC=C1B(O)O MCULE-6009480835 [0,0,0,0,0,1|2,0,1]=4 519 B13R1.589 CC(=O)NC1=CC=CC=C1C(=O)O MCULE-5493843354 [0,0,0,0,0,1|1,0,0]=2 520 B13R1.589 CC(=O)NC1=CC=CC=C1N(=O)=O MCULE-2083888993 [0,0,0,0,0,1|2,0,1]=4 521 B13R1.589 CC(=O)NC1=CC=CC=C1S(=O)C MCULE-8232948182 [0,0,0,0,0,1|3,0,0]=4 522 B13R1.589 CC(=O)NC1=CC=NC=C1C(=O)O MCULE-5591664806 [0,0,0,0,0,1|2,0,0]=3 523 B13R1.589 CC(=O)NC1=NC=CC=C1C(=O)O MCULE-7404386447 [0,0,0,0,0,1|2,0,0]=3 524 B13R1.589 CC(=O)OC1=C(C=CC=C1)C(=O)C MCULE-4610880324 [0,0,0,0,0,1|2,0,0]=3 525 B13R1.589 CC(=O)OC1=C(C=CC=C1)C(=O)Cl MCULE-4612770101 [0,0,0,0,0,1|2,0,0]=3 526 B13R1.589 CC(=O)OC1=C(C=CC=C1)C(=O)O MCULE-3199019536 [0,0,0,0,0,1|1,0,0]=2 527 B13R1.589 CC(=O)OC1=C(C=CC=C1)N(=O)=O MCULE-7872839877 [0,0,0,0,0,1|2,0,1]=4 528 B13R1.589 CC(=O)OC1=CC=CC=C1C(=O)N MCULE-7791245774 [0,0,0,0,0,1|2,0,0]=3 529 B13R1.589 CC(=O)OC1=CC=CC=C1C(=O)[O-] MCULE-1298755950 [0,0,0,0,0,1|1,0,1]=3 530 B13R1.589 CC(=O)SC1=CC=CC=C1C(=O)O MCULE-5814875567 [0,0,0,0,0,1|1,0,0]=2 531 B13R1.589 CC(C)C1=C(C=CC=C1)CC(=O)O MCULE-2691665644 [0,0,0,0,0,1|2,0,1]=4 532 B13R1.589 CC(C)CC1=C(C=CC=C1)C(=O)O MCULE-4167889243 [0,0,0,0,0,1|2,0,1]=4 533 B13R1.589 CC(C)NC1=CC=CC=C1C(=O)O MCULE-9316373608 [0,0,0,0,0,1|2,0,1]=4 534 B13R1.589 CC(C)OC1=CC=CC=C1C(=O)O MCULE-3438290382 [0,0,0,0,0,1|2,0,1]=4 535 B13R1.589 CC(C)SC1=C(C=CC=C1)C(=O)O MCULE-5467128629 [0,0,0,0,0,1|2,0,1]=4 536 B13R1.589 CN(C)C1=CC=CC=C1CC(=O)O MCULE-3458324136 [0,0,0,0,0,1|3,0,0]=4 537 B13R1.589 CN(C)C1=CC=CC=C1CC(=O)O MCULE-9973852705 [0,0,0,0,0,1|3,0,0]=4 538 B13R1.589 CN(C)CC1=C(C=CC=C1)C(=O)O MCULE-8960151808 [0,0,0,0,0,1|3,0,0]=4 539 B13R1.589 CN(C)CC1=C(C=CC=C1)C(=O)O MCULE-9158550136 [0,0,0,0,0,1|3,0,0]=4 540 B13R1.589 CS(=O)C1=C(C=CC=C1)CC(=O)O MCULE-9403002843 [0,0,0,0,0,1|2,0,0]=3 541 B13R1.589 C[C@@H](N)CC1=CC=CC=C1C(=O)O MCULE-2756717856 [0,0,0,0,0,1|2,0,1]=4 542 B13R1.589 NC(=O)C1=C(C=CC=C1)CC(=O)O MCULE-9735756944 [0,0,0,0,0,1|1,0,0]=2 543 B13R1.589 NC(=O)CC1=C(C=CC=C1)N(=O)=O MCULE-5406561312 [0,0,0,0,0,1|2,0,1]=4 544 B13R1.589 NC(=O)CC1=CC=CC=C1C(=O)O MCULE-9127524097 [0,0,0,0,0,1|1,0,0]=2 545 B13R1.589 NC(=O)NC1=C(C=CC=C1)C(=O)O MCULE-1350021651 [0,0,0,0,0,1|1,0,0]=2 546 B13R1.589 NC(=O)NC1=C(C=CC=C1)N(=O)=O MCULE-4974293063 [0,0,0,0,0,1|2,0,1]=4 547 B13R1.589 O=C(Cl)CC1=C(C=CC=C1)N(=O)=O MCULE-2076605463 [0,0,0,0,0,1|2,0,1]=4 548 B13R1.589 O=C(O)C1=C(C=CC=C1)OC(F)F MCULE-3732956431 [0,0,0,0,0,1|2,0,1]=4 549 B13R1.589 O=C(O)C1=C(C=CC=C1)SC(F)F MCULE-3000258347 [0,0,0,0,0,1|2,0,1]=4 550 B13R1.589 O=C(O)CC1=C(C=CC=C1)C(=O)O MCULE-3233814444 [0,0,0,0,0,1|0,0,0]=1 551 B13R1.589 O=C(O)CC1=C(N=CC=C1)C(=O)O MCULE-2816559837 [0,0,0,0,0,1|1,0,0]=2 552 B13R1.589 O=C(O)CC1=CC=CC=C1B(O)O MCULE-2580240403 [0,0,0,0,0,1|1,0,1]=3 553 B13R1.589 O=C(O)CC1=CC=CC=C1N(=O)=O MCULE-3522722427 [0,0,0,0,0,1|1,0,1]=3 554 B13R1.589 O=C(O)CC1=NC=CC=C1N(=O)=O MCULE-5083126449 [0,0,0,0,0,1|2,0,1]=4 555 B13R1.589 O=C(O)OC1=C(N=CC=C1)C(=O)O MCULE-1338511880 [0,0,0,0,0,1|1,0,0]=2 556 B10R1.20 C#CC1=CC=CC=C1C=O MCULE-9697350873 [2,0,0,0,0,0|1,0,1]=4 557 B10R1.20 C=CC1=C(C=CC=C1)CO MCULE-8762356225 [2,0,0,0,0,0|1,0,1]=4 558 B10R1.20 C=CC1=C(C=CC=N1)C=O MCULE-4909391621 [2,0,0,0,0,0|2,0,0]=4 559 B10R1.20 C=CC1=CC=CC=C1C=C MCULE-5615089633 [2,0,0,0,0,0|2,0,0]=4 560 B10R1.20 C=CC1=CC=CC=C1C=O MCULE-7860754839 [2,0,0,0,0,0|1,0,0]=3 561 B10R1.20 CCC1=CC=CC=C1C=O MCULE-7976846390 [2,0,0,0,0,0|1,0,1]=4 562 B10R1.20 CNC1=CC=CC=C1C=O MCULE-5184269116 [2,0,0,0,0,0|2,0,0]=4 563 B10R1.20 COC1=CC=CC=C1C=O MCULE-4690415185 [2,0,0,0,0,0|2,0,0]=4 564 B10R1.20 CSC1=CC=CC=C1C=O MCULE-6871098876 [2,0,0,0,0,0|2,0,0]=4 565 B10R1.20 N#CC1=C(C=CC=C1)C=O MCULE-5787370913 [2,0,0,0,0,0|1,0,1]=4 566 B10R1.20 O=CC1=C(C=CC=C1)[Te]Br MCULE-8783419559 [2,0,0,0,0,0|2,0,0]=4 567 B10R1.20 O=CC1=CC=CC=C1C=O MCULE-5731001647 [2,0,0,0,0,0|0,0,0]=2 568 B10R1.20 O=CC1=CC=CC=C1CBr MCULE-4655938516 [2,0,0,0,0,0|1,0,1]=4 569 B10R1.20 O=CC1=CC=CC=C1CCl MCULE-4150580877 [2,0,0,0,0,0|1,0,1]=4 570 B10R1.20 O=CC1=CC=CC=C1CO MCULE-9613292492 [2,0,0,0,0,0|0,0,1]=3 571 B10R1.20 OCC1=CC=CC=C1CO MCULE-5547905355 [2,0,0,0,0,0|0,0,2]=4 572 B10R1.61 CC(=O)C1=C(C=CC=C1)Br MCULE-1424693990 [2,0,0,0,0,0|2,0,0]=4 573 B10R1.61 CC(=O)C1=C(C=CC=C1)C MCULE-1749200131 [2,0,0,0,0,0|1,0,1]=4 574 B10R1.61 CC(=O)C1=C(C=CC=C1)Cl MCULE-2144222308 [2,0,0,0,0,0|2,0,0]=4 575 B10R1.61 CC(=O)C1=C(C=CC=C1)F MCULE-8613480392 [2,0,0,0,0,0|2,0,0]=4 576 B10R1.61 CC(=O)C1=C(C=CC=C1)I MCULE-3552316800 [2,0,0,0,0,0|2,0,0]=4 577 B10R1.61 CC(=O)C1=C(C=CC=C1)O MCULE-6901537094 [2,0,0,0,0,0|1,0,0]=3 578 B10R1.61 CC(=O)C1=C(C=CN=C1)O MCULE-2666165855 [2,0,0,0,0,0|2,0,0]=4 579 B10R1.61 CC(=O)C1=C(C=NC=C1)O MCULE-9732792007 [2,0,0,0,0,0|2,0,0]=4 580 B10R1.61 CC(=O)C1=CC=CC=C1N MCULE-2549166565 [2,0,0,0,0,0|2,0,0]=4 581 B10R1.61 CC(=O)C1=CC=CC=C1N MCULE-8977994715 [2,0,0,0,0,0|2,0,0]=4 582 B10R1.61 CC(=O)C1=CC=CC=C1S MCULE-3881664738 [2,0,0,0,0,0|1,1,0]=4 583 B10R1.61 CC(=O)C1=CC=CNC1=O MCULE-8332051237 [2,0,0,0,0,0|2,0,0]=4 584 B10R1.61 CC(=O)C1=NC=CC=C1O MCULE-2705814075 [2,0,0,0,0,0|2,0,0]=4 585 B10R1.61 CC(O)C1=CC=CC=C1O MCULE-4471866924 [2,0,0,0,0,0|1,0,1]=4 586 B10R1.61 CC1=C(C=CC=C1)C(=O)N MCULE-4275866059 [2,0,0,0,0,0|1,0,1]=4 587 B10R1.61 CC1=C(C=CC=C1)C(=O)O MCULE-8662697935 [2,0,0,0,0,0|0,0,1]=3 588 B10R1.61 CC1=C(C=CC=N1)C(=O)O MCULE-1358504120 [2,0,0,0,0,0|1,0,1]=4 589 B10R1.61 CC1=C(C=CC=N1)C(=O)O MCULE-1760335656 [2,0,0,0,0,0|1,0,1]=4 590 B10R1.61 CC1=C(C=CN=C1)C(=O)O MCULE-4068777983 [2,0,0,0,0,0|1,0,1]=4 591 B10R1.61 CC1=C(C=CN=C1)C(=O)O MCULE-4098532555 [2,0,0,0,0,0|1,0,1]=4 592 B10R1.61 CC1=C(C=NC=C1)C(=O)O MCULE-3830443009 [2,0,0,0,0,0|1,0,1]=4 593 B10R1.61 CC1=C(N=CC=C1)C(=O)O MCULE-8081940811 [2,0,0,0,0,0|1,0,1]=4 594 B10R1.61 CC1=CC=CC=C1C(=O)Cl MCULE-4338357930 [2,0,0,0,0,0|1,0,1]=4 595 B10R1.61 CC1=CC=CN=C1C(=O)O MCULE-6679892229 [2,0,0,0,0,0|1,0,1]=4 596 B10R1.61 CC1=CC=NC=C1C(=O)O MCULE-2967865061 [2,0,0,0,0,0|1,0,1]=4 597 B10R1.61 CS(=O)C1=C(C=CC=C1)O MCULE-4255454592 [2,0,0,0,0,0|2,0,0]=4 598 B10R1.61 C[N+]1=C(C=CC=C1)C(=O)O MCULE-9509911443 [2,0,0,0,0,0|1,0,1]=4 599 B10R1.61 N=C(N)C1=C(C=CC=C1)O MCULE-5077898189 [2,0,0,0,0,0|2,0,0]=4 600 B10R1.61 N=C(N)C1=C(C=CC=C1)O MCULE-9455602450 [2,0,0,0,0,0|2,0,0]=4 601 B10R1.61 NC(=O)C1=C(C=CC=C1)Br MCULE-9824828411 [2,0,0,0,0,0|2,0,0]=4 602 B10R1.61 NC(=O)C1=C(C=CC=C1)Cl MCULE-2197159722 [2,0,0,0,0,0|2,0,0]=4 603 B10R1.61 NC(=O)C1=C(C=CC=C1)F MCULE-1888512768 [2,0,0,0,0,0|2,0,0]=4 604 B10R1.61 NC(=O)C1=C(C=CC=C1)O MCULE-5482995635 [2,0,0,0,0,0|1,0,0]=3 605 B10R1.61 NC(=O)C1=C(C=CC=C1)S MCULE-6001730008 [2,0,0,0,0,0|1,1,0]=4 606 B10R1.61 NC(=O)C1=C(C=CC=N1)O MCULE-3212155538 [2,0,0,0,0,0|2,0,0]=4 607 B10R1.61 NC(=O)C1=C(C=CN=C1)O MCULE-3805082690 [2,0,0,0,0,0|2,0,0]=4 608 B10R1.61 NC(=O)C1=CC=CC=C1I MCULE-9927575220 [2,0,0,0,0,0|2,0,0]=4 609 B10R1.61 NC(=O)C1=CC=CC=C1N MCULE-6335935491 [2,0,0,0,0,0|2,0,0]=4 610 B10R1.61 NC(=O)C1=CC=CNC1=O MCULE-5159050018 [2,0,0,0,0,0|2,0,0]=4 611 B10R1.61 NC(=O)C1=CC=NC=C1O MCULE-4727285160 [2,0,0,0,0,0|2,0,0]=4 612 B10R1.61 NC(=S)C1=C(C=CC=C1)O MCULE-1326205989 [2,0,0,0,0,0|1,1,0]=4 613 B10R1.61 NC1=C(C=CC=C1)C(=O)O MCULE-8970106555 [2,0,0,0,0,0|1,0,0]=3 614 B10R1.61 NC1=C(C=NC=C1)C(=O)O MCULE-3652592206 [2,0,0,0,0,0|2,0,0]=4 615 B10R1.61 NC1=C(C=NC=C1)C(=O)O MCULE-7276846664 [2,0,0,0,0,0|2,0,0]=4 616 B10R1.61 NC1=CC=CN=C1C(=O)O MCULE-2356810587 [2,0,0,0,0,0|2,0,0]=4 617 B10R1.61 NC1=CC=CN=C1C(=O)O MCULE-9991303306 [2,0,0,0,0,0|2,0,0]=4 618 B10R1.61 NC1=CN=CC=C1C(=O)O MCULE-9282322392 [2,0,0,0,0,0|2,0,0]=4 619 B10R1.61 NC1=NC=CC=C1C(=O)O MCULE-3175833110 [2,0,0,0,0,0|2,0,0]=4 620 B10R1.61 O=C(Cl)C1=C(C=CC=C1)Br MCULE-1832009044 [2,0,0,0,0,0|2,0,0]=4 621 B10R1.61 O=C(Cl)C1=C(C=CC=C1)F MCULE-7273089296 [2,0,0,0,0,0|2,0,0]=4 622 B10R1.61 O=C(Cl)C1=C(C=CC=C1)I MCULE-2174057030 [2,0,0,0,0,0|2,0,0]=4 623 B10R1.61 O=C(Cl)C1=CC=CC=C1Cl MCULE-8943630978 [2,0,0,0,0,0|2,0,0]=4 624 B10R1.61 O=C(Cl)C1=CC=CC=C1O MCULE-4010403743 [2,0,0,0,0,0|1,0,0]=3 625 B10R1.61 O=C(Cl)C1=CC=CC=C1S MCULE-5048802101 [2,0,0,0,0,0|1,1,0]=4 626 B10R1.61 O=C(Cl)C1=NC=CC=C1O MCULE-3590462423 [2,0,0,0,0,0|2,0,0]=4 627 B10R1.61 O=C(O)C1=C(C=CC=C1)Br MCULE-3239222085 [2,0,0,0,0,0|1,0,0]=3 628 B10R1.61 O=C(O)C1=C(C=CC=C1)Cl MCULE-1696137032 [2,0,0,0,0,0|1,0,0]=3 629 B10R1.61 O=C(O)C1=C(C=CC=C1)O MCULE-4238157211 [2,0,0,0,0,0|0,0,0]=2 630 B10R1.61 O=C(O)C1=C(C=CC=C1)S MCULE-8297385152 [2,0,0,0,0,0|0,1,0]=3 631 B10R1.61 O=C(O)C1=C(C=CC=N1)Br MCULE-4344174693 [2,0,0,0,0,0|2,0,0]=4 632 B10R1.61 O=C(O)C1=C(C=CC=N1)I MCULE-3545834696 [2,0,0,0,0,0|2,0,0]=4 633 B10R1.61 O=C(O)C1=C(C=CC=N1)O MCULE-7115836080 [2,0,0,0,0,0|1,0,0]=3 634 B10R1.61 O=C(O)C1=C(C=CC=N1)S MCULE-4203077129 [2,0,0,0,0,0|1,1,0]=4 635 B10R1.61 O=C(O)C1=C(C=CN=C1)Br MCULE-1594185108 [2,0,0,0,0,0|2,0,0]=4 636 B10R1.61 O=C(O)C1=C(C=CN=C1)Cl MCULE-2513513305 [2,0,0,0,0,0|2,0,0]=4 637 B10R1.61 O=C(O)C1=C(C=CN=C1)F MCULE-5137747992 [2,0,0,0,0,0|2,0,0]=4 638 B10R1.61 O=C(O)C1=C(C=CN=C1)O MCULE-9587370315 [2,0,0,0,0,0|1,0,0]=3 639 B10R1.61 O=C(O)C1=C(C=NC=C1)Cl MCULE-2538567621 [2,0,0,0,0,0|2,0,0]=4 640 B10R1.61 O=C(O)C1=C(C=NC=C1)F MCULE-4354141649 [2,0,0,0,0,0|2,0,0]=4 641 B10R1.61 O=C(O)C1=C(C=NC=C1)I MCULE-5814291278 [2,0,0,0,0,0|2,0,0]=4 642 B10R1.61 O=C(O)C1=C(C=NC=C1)O MCULE-6913534695 [2,0,0,0,0,0|1,0,0]=3 643 B10R1.61 O=C(O)C1=C(N=CC=C1)Cl MCULE-9186493058 [2,0,0,0,0,0|2,0,0]=4 644 B10R1.61 O=C(O)C1=C(N=CC=C1)I MCULE-4031419128 [2,0,0,0,0,0|2,0,0]=4 645 B10R1.61 O=C(O)C1=CC=CC=C1F MCULE-2885931404 [2,0,0,0,0,0|1,0,0]=3 646 B10R1.61 O=C(O)C1=CC=CC=C1I MCULE-5987010449 [2,0,0,0,0,0|1,0,0]=3 647 B10R1.61 O=C(O)C1=CC=CC=C1O MCULE-8407868694 [2,0,0,0,0,0|0,0,0]=2 648 B10R1.61 O=C(O)C1=CC=CC=C1O MCULE-8756695354 [2,0,0,0,0,0|0,0,0]=2 649 B10R1.61 O=C(O)C1=CC=CC=C1O MCULE-9332636114 [2,0,0,0,0,0|0,0,0]=2 650 B10R1.61 O=C(O)C1=CC=CC=[N+]1[O-] MCULE-1615765456 [2,0,0,0,0,0|1,0,1]=4 651 B10R1.61 O=C(O)C1=CC=CN=C1Br MCULE-2307647512 [2,0,0,0,0,0|2,0,0]=4 652 B10R1.61 O=C(O)C1=CC=CN=C1F MCULE-8936365151 [2,0,0,0,0,0|2,0,0]=4 653 B10R1.61 O=C(O)C1=CC=CN=C1O MCULE-3119679537 [2,0,0,0,0,0|1,0,0]=3 654 B10R1.61 O=C(O)C1=CC=CN=C1S MCULE-9687940814 [2,0,0,0,0,0|1,1,0]=4 655 B10R1.61 O=C(O)C1=CC=COC1=O MCULE-7272938902 [2,0,0,0,0,0|1,0,0]=3 656 B10R1.61 O=C(O)C1=CC=NC=C1Br MCULE-2837047087 [2,0,0,0,0,0|2,0,0]=4 657 B10R1.61 O=C(O)C1=CC=NNC1=O MCULE-5812037295 [2,0,0,0,0,0|2,0,0]=4 658 B10R1.61 O=C(O)C1=CN=CC=C1Br MCULE-4300578257 [2,0,0,0,0,0|2,0,0]=4 659 B10R1.61 O=C(O)C1=CN=CC=C1Br MCULE-6329072205 [2,0,0,0,0,0|2,0,0]=4 660 B10R1.61 O=C(O)C1=CN=CC=C1S MCULE-8908983932 [2,0,0,0,0,0|1,1,0]=4 661 B10R1.61 O=C(O)C1=CNC=NC1=O MCULE-7526187020 [2,0,0,0,0,0|2,0,0]=4 662 B10R1.61 O=C(O)C1=CNN=CC1=O MCULE-3661596942 [2,0,0,0,0,0|2,0,0]=4 663 B10R1.61 O=C(O)C1=NC=CC=C1Br MCULE-3606808833 [2,0,0,0,0,0|2,0,0]=4 664 B10R1.61 O=C(O)C1=NC=CC=C1Cl MCULE-2890401948 [2,0,0,0,0,0|2,0,0]=4 665 B10R1.61 O=C(O)C1=NC=CC=C1F MCULE-4259510995 [2,0,0,0,0,0|2,0,0]=4 666 B10R1.61 O=C(O)C1=NC=CC=C1F MCULE-9291944516 [2,0,0,0,0,0|2,0,0]=4 667 B10R1.61 O=C(O)C1=NC=CC=C1S MCULE-7486731745 [2,0,0,0,0,0|1,1,0]=4 668 B10R1.61 O=C(O)C1=NC=CN=C1O MCULE-1082436349 [2,0,0,0,0,0|2,0,0]=4 669 B10R1.61 O=C(O)C1C=CC=NC1=O MCULE-4953790271 [2,0,0,0,0,0|1,0,1]=4 670 B10R1.61 O=C([O-])C1=C(C=CC=C1)Cl MCULE-5343724494 [2,0,0,0,0,0|1,0,1]=4 671 B10R1.61 O=C([O-])C1=C(C=CC=C1)O MCULE-8473693653 [2,0,0,0,0,0|0,0,1]=3 672 B10R1.61 O=C([O-])C1=C(C=CC=C1)S MCULE-8341188760 [2,0,0,0,0,0|0,1,1]=4 673 B10R1.61 O=C([O-])C1=C(C=CN=C1)O MCULE-5831902195 [2,0,0,0,0,0|1,0,1]=4 674 B10R1.61 O=C([O-])C1=C(N=CC=C1)O MCULE-9169400221 [2,0,0,0,0,0|1,0,1]=4 675 B10R1.61 O=C([O-])C1=CC=CC=C1Cl MCULE-5178645893 [2,0,0,0,0,0|1,0,1]=4 676 B10R1.61 O=C([O-])C1=CC=CC=C1F MCULE-2391457515 [2,0,0,0,0,0|1,0,1]=4 677 B10R1.61 O=C([O-])C1=CC=CC=C1O MCULE-9355450041 [2,0,0,0,0,0|0,0,1]=3 678 B10R1.61 O=N(=O)C1=C(C=CC=C1)O MCULE-1415513135 [2,0,0,0,0,0|1,0,1]=4 679 B10R1.61 O=P(O)C1=C(C=CC=C1)O MCULE-9956328914 [2,0,0,0,0,0|1,0,0]=3 680 B10R1.61 O=S(O)C1=C(C=CC=C1)F MCULE-5786152075 [2,0,0,0,0,0|2,0,0]=4 681 B10R1.61 OB(O)C1=CC=CC=C1O MCULE-8062745753 [2,0,0,0,0,0|1,0,1]=4 682 B10R1.61 OC(=S)C1=CC=CC=C1O MCULE-2639793618 [2,0,0,0,0,0|0,1,0]=3 683 B10R1.61 OC1=C(C=CC=C1)C(=S)S MCULE-7166145980 [2,0,0,0,0,0|0,2,0]=4 684 B12R1.46 CC1=CC(=C(C=C1)C=O)C(=O)O MCULE-4742028324 [1,1,0,0,0,0|0,0,0]=2 685 B12R1.46 CC1=CC=C(C(=C1)B(O)O)C=O MCULE-8423258464 [1,1,0,0,0,0|1,0,1]=4 686 B12R1.46 CC1=CC=C(C(=C1)C(=O)O)[IH2]=O MCULE-8633357510 [1,1,0,0,0,0|1,0,0]=3 687 B12R1.46 CC1=CC=C(C(=C1)N(=O)=O)C=O MCULE-1862891699 [1,1,0,0,0,0|1,0,1]=4 688 B12R1.46 CCC1=C(C=C(C=C1)Br)C(=O)O MCULE-5810393840 [1,1,0,0,0,0|1,0,1]=4 689 B12R1.46 CCC1=C(C=C(C=C1)F)C(=O)O MCULE-5768134144 [1,1,0,0,0,0|1,0,1]=4 690 B12R1.46 CCC1=C(C=C(C=C1)I)C(=O)O MCULE-6419765423 [1,1,0,0,0,0|1,0,1]=4 691 B12R1.46 CCC1=CC=C(C=C1C(=O)O)Cl MCULE-9576429172 [1,1,0,0,0,0|1,0,1]=4 692 B12R1.46 CNC1=C(C=C(C=C1)Cl)C(=O)O MCULE-8825611158 [1,1,0,0,0,0|2,0,0]=4 693 B12R1.46 CNC1=C(C=C(C=C1)F)C(=O)O MCULE-6557290315 [1,1,0,0,0,0|2,0,0]=4 694 B12R1.46 CNC1=CC=C(C=C1C(=O)O)Br MCULE-1691569775 [1,1,0,0,0,0|2,0,0]=4 695 B12R1.46 CNC1=CC=C(C=C1C(=O)O)C MCULE-4848176817 [1,1,0,0,0,0|2,0,0]=4 696 B12R1.46 CNC1=CC=C(C=C1C(=O)O)I MCULE-8141389960 [1,1,0,0,0,0|2,0,0]=4 697 B12R1.46 CNC1=CC=C(C=C1C(=O)O)N MCULE-6135898575 [1,1,0,0,0,0|2,0,0]=4 698 B12R1.46 COC1=C(C=C(C=C1)Br)C(=O)O MCULE-8260284189 [1,1,0,0,0,0|2,0,0]=4 699 B12R1.46 COC1=C(C=C(C=C1)C)C(=O)O MCULE-2816314019 [1,1,0,0,0,0|2,0,0]=4 700 B12R1.46 COC1=C(C=C(C=C1)Cl)C(=O)O MCULE-4487698118 [1,1,0,0,0,0|2,0,0]=4 701 B12R1.46 COC1=C(C=C(C=C1)F)C(=O)O MCULE-9218621038 [1,1,0,0,0,0|2,0,0]=4 702 B12R1.46 COC1=C(C=C(C=C1)I)C(=O)O MCULE-7864465132 [1,1,0,0,0,0|2,0,0]=4 703 B12R1.46 COC1=C(C=C(C=C1)O)C(=O)O MCULE-3339201501 [1,1,0,0,0,0|2,0,0]=4 704 B12R1.46 COC1=CC=C(C=C1C(=O)O)N MCULE-1066466660 [1,1,0,0,0,0|2,0,0]=4 705 B12R1.46 COC1=CC=C(C=C1C(=O)O)N MCULE-8685395323 [1,1,0,0,0,0|2,0,0]=4 706 B12R1.46 CSC1=C(C=C(C=C1)F)C(=O)O MCULE-5074727087 [1,1,0,0,0,0|2,0,0]=4 707 B12R1.46 CSC1=C(C=C(C=C1)N)C(=O)O MCULE-1009101406 [1,1,0,0,0,0|2,0,0]=4 708 B12R1.46 CSC1=CC=C(C=C1C(=O)O)Br MCULE-8848974309 [1,1,0,0,0,0|2,0,0]=4 709 B12R1.46 CSC1=CC=C(C=C1C(=O)O)Cl MCULE-8397505747 [1,1,0,0,0,0|2,0,0]=4 710 B12R1.46 N#CC1=C(C=C(C=C1)N)C(=O)O MCULE-1301644942 [1,1,0,0,0,0|1,0,1]=4 711 B12R1.46 N#CC1=CC=C(C=C1C(=O)O)Br MCULE-6895333947 [1,1,0,0,0,0|1,0,1]=4 712 B12R1.46 N#CC1=CC=C(C=C1C(=O)O)F MCULE-1336207268 [1,1,0,0,0,0|1,0,1]=4 713 B12R1.46 N#CC1=CC=C(C=C1C(=O)O)I MCULE-8518984162 [1,1,0,0,0,0|1,0,1]=4 714 B12R1.46 NC1=CC=C(C(=C1)N(=O)=O)C=O MCULE-9809017283 [1,1,0,0,0,0|1,0,1]=4 715 B12R1.46 NNC1=C(C=C(C=C1)Br)C(=O)O MCULE-6723071223 [1,1,0,0,0,0|2,0,0]=4 716 B12R1.46 NNC1=CC=C(C=C1C(=O)O)Br MCULE-4053784708 [1,1,0,0,0,0|2,0,0]=4 717 B12R1.46 NNC1=CC=C(C=C1C(=O)O)F MCULE-5366806352 [1,1,0,0,0,0|2,0,0]=4 718 B12R1.46 NNC1=CC=C(C=C1C(=O)O)F MCULE-9191188764 [1,1,0,0,0,0|2,0,0]=4 719 B12R1.46 O=CC1=C(C=C(C=C1)Br)C(=O)O MCULE-3347116643 [1,1,0,0,0,0|0,0,0]=2 720 B12R1.46 O=CC1=C(C=C(C=C1)Br)N(=O)=O MCULE-8605713282 [1,1,0,0,0,0|1,0,1]=4 721 B12R1.46 O=CC1=C(C=C(C=C1)Cl)C(=O)O MCULE-4708405428 [1,1,0,0,0,0|0,0,0]=2 722 B12R1.46 O=CC1=C(C=C(C=C1)Cl)N(=O)=O MCULE-9764960982 [1,1,0,0,0,0|1,0,1]=4 723 B12R1.46 O=CC1=C(C=C(C=C1)F)C(=O)O MCULE-2641944721 [1,1,0,0,0,0|0,0,0]=2 724 B12R1.46 O=CC1=C(C=C(C=C1)F)N(=O)=O MCULE-3688750222 [1,1,0,0,0,0|1,0,1]=4 725 B12R1.46 O=CC1=CC=C(C=C1B(O)O)Cl MCULE-1880251182 [1,1,0,0,0,0|1,0,1]=4 726 B12R1.46 O=CC1=CC=C(C=C1B(O)O)F MCULE-1555245425 [1,1,0,0,0,0|1,0,1]=4 727 B12R1.46 O=CC1=CC=C(C=C1C(=O)O)I MCULE-3106354171 [1,1,0,0,0,0|0,0,0]=2 728 B12R1.46 O=CC1=CC=C(C=C1N(=O)=O)I MCULE-9167202424 [1,1,0,0,0,0|1,0,1]=4 729 B12R1.46 O=CC1=CC=C(C=C1N(=O)=O)O MCULE-7878503914 [1,1,0,0,0,0|1,0,1]=4 730 B12R1.57 CC1=CC(=C(C=C1)B(O)O)C=O MCULE-1504677896 [1,1,0,0,0,0|1,0,1]=4 731 B12R1.57 CC1=CC(=C(C=C1)C(=O)O)C#N MCULE-8305869817 [1,1,0,0,0,0|1,0,1]=4 732 B12R1.57 CC1=CC(=C(C=C1)C(=O)O)C=O MCULE-4105101262 [1,1,0,0,0,0|0,0,0]=2 733 B12R1.57 CC1=CC=C(C(=C1)C=O)N(=O)=O MCULE-6001311629 [1,1,0,0,0,0|1,0,1]=4 734 B12R1.57 CCC1=C(C=CC(=C1)C)C(=O)O MCULE-8594594616 [1,1,0,0,0,0|1,0,1]=4 735 B12R1.57 CCC1=C(C=CC(=C1)F)C(=O)O MCULE-1228269240 [1,1,0,0,0,0|1,0,1]=4 736 B12R1.57 CCC1=C(C=CC(=C1)N)C(=O)O MCULE-7524168989 [1,1,0,0,0,0|1,0,1]=4 737 B12R1.57 CCC1=CC(=CC=C1C(=O)O)Br MCULE-4447071168 [1,1,0,0,0,0|1,0,1]=4 738 B12R1.57 CNC1=C(C=CC(=C1)Br)C(=O)O MCULE-7952933630 [1,1,0,0,0,0|2,0,0]=4 739 B12R1.57 CNC1=C(C=CC(=C1)C)C(=O)O MCULE-1628983754 [1,1,0,0,0,0|2,0,0]=4 740 B12R1.57 CNC1=C(C=CC(=C1)Cl)C(=O)O MCULE-7088473257 [1,1,0,0,0,0|2,0,0]=4 741 B12R1.57 CNC1=C(C=CC(=C1)F)C(=O)O MCULE-9181357615 [1,1,0,0,0,0|2,0,0]=4 742 B12R1.57 CNC1=C(C=CC(=C1)I)C(=O)O MCULE-5657745028 [1,1,0,0,0,0|2,0,0]=4 743 B12R1.57 COC1=C(C=CC(=C1)Br)C(=O)O MCULE-4942529486 [1,1,0,0,0,0|2,0,0]=4 744 B12R1.57 COC1=C(C=CC(=C1)Cl)C(=O)O MCULE-3079227126 [1,1,0,0,0,0|2,0,0]=4 745 B12R1.57 COC1=C(C=CC(=C1)F)C(=O)O MCULE-5571695055 [1,1,0,0,0,0|2,0,0]=4 746 B12R1.57 COC1=C(C=CC(=C1)I)C(=O)O MCULE-4463747227 [1,1,0,0,0,0|2,0,0]=4 747 B12R1.57 COC1=C(C=CC(=C1)N)C(=O)O MCULE-7151692983 [1,1,0,0,0,0|2,0,0]=4 748 B12R1.57 COC1=C(C=CC(=C1)O)C(=O)O MCULE-4756986651 [1,1,0,0,0,0|2,0,0]=4 749 B12R1.57 COC1=CC(=CC=C1C(=O)O)C MCULE-1345016694 [1,1,0,0,0,0|2,0,0]=4 750 B12R1.57 CSC1=C(C=CC(=C1)Br)C(=O)O MCULE-2632841955 [1,1,0,0,0,0|2,0,0]=4 751 B12R1.57 CSC1=C(C=CC(=C1)C)C(=O)O MCULE-9507500200 [1,1,0,0,0,0|2,0,0]=4 752 B12R1.57 CSC1=C(C=CC(=C1)F)C(=O)O MCULE-6323579606 [1,1,0,0,0,0|2,0,0]=4 753 B12R1.57 N#CC1=C(C=CC(=C1)Br)C(=O)O MCULE-8999728222 [1,1,0,0,0,0|1,0,1]=4 754 B12R1.57 N#CC1=CC(=CC=C1C(=O)O)F MCULE-8600604910 [1,1,0,0,0,0|1,0,1]=4 755 B12R1.57 N#CC1=CC(=CC=C1C(=O)O)N MCULE-2300136147 [1,1,0,0,0,0|1,0,1]=4 756 B12R1.57 NNC1=C(C=CC(=C1)F)C(=O)O MCULE-5097085463 [1,1,0,0,0,0|2,0,0]=4 757 B12R1.57 NNC1=C(C=CC(=C1)F)C(=O)O MCULE-9263439938 [1,1,0,0,0,0|2,0,0]=4 758 B12R1.57 NNC1=CC(=CC=C1C(=O)O)Br MCULE-3540044056 [1,1,0,0,0,0|2,0,0]=4 759 B12R1.57 NNC1=CC(=CC=C1C(=O)O)Br MCULE-9138513525 [1,1,0,0,0,0|2,0,0]=4 760 B12R1.57 NNC1=CC(=CC=C1C(=O)O)Cl MCULE-8754349863 [1,1,0,0,0,0|2,0,0]=4 761 B12R1.57 O=C(O)C1=CC=C(C=C1CO)Br MCULE-9519472092 [1,1,0,0,0,0|0,0,1]=3 762 B12R1.57 O=C(O)C1=CC=C(C=C1CO)Cl MCULE-9448085619 [1,1,0,0,0,0|0,0,1]=3 763 B12R1.57 O=C(O)C1=CC=C(C=C1CO)F MCULE-8530587736 [1,1,0,0,0,0|0,0,1]=3 764 B12R1.57 O=C(O)C1=CN=C(C=C1CO)Cl MCULE-9423433163 [1,1,0,0,0,0|1,0,1]=4 765 B12R1.57 O=CC1=C(C=CC(=C1)Br)C(=O)O MCULE-5884992981 [1,1,0,0,0,0|0,0,0]=2 766 B12R1.57 O=CC1=C(C=CC(=C1)Br)N(=O)=O MCULE-4340495107 [1,1,0,0,0,0|1,0,1]=4 767 B12R1.57 O=CC1=C(C=CC(=C1)Cl)B(O)O MCULE-8525025054 [1,1,0,0,0,0|1,0,1]=4 768 B12R1.57 O=CC1=C(C=CC(=C1)Cl)N(=O)=O MCULE-7805018273 [1,1,0,0,0,0|1,0,1]=4 769 B12R1.57 O=CC1=C(C=CC(=C1)F)C(=O)O MCULE-9943376771 [1,1,0,0,0,0|0,0,0]=2 770 B12R1.57 O=CC1=C(C=CC(=C1)I)N(=O)=O MCULE-4257817526 [1,1,0,0,0,0|1,0,1]=4 771 B12R1.57 O=CC1=CC(=CC=C1B(O)O)Br MCULE-2285720465 [1,1,0,0,0,0|1,0,1]=4 772 B12R1.57 O=CC1=CC(=CC=C1B(O)O)F MCULE-7104387926 [1,1,0,0,0,0|1,0,1]=4 773 B12R1.57 O=CC1=CC(=CC=C1C(=O)O)Cl MCULE-9457881409 [1,1,0,0,0,0|0,0,0]=2 774 B12R1.57 O=CC1=CC(=CC=C1N(=O)=O)F MCULE-4438470345 [1,1,0,0,0,0|1,0,1]=4 775 B12R1.57 O=CC1=CC(=CC=C1N(=O)=O)O MCULE-2966837418 [1,1,0,0,0,0|1,0,1]=4 776 B12R1.57 O=CC1=CC(=NC=C1C(=O)O)Cl MCULE-5551993774 [1,1,0,0,0,0|1,0,0]=3 777 B12R1.76 CS(=O)(=O)C1=CC=CC=C1C=O MCULE-4679099904 [1,1,0,0,0,0|1,0,1]=4 778 B12R1.76 NS(=O)(=O)C1=CC=CC=C1C=O MCULE-7145445048 [1,1,0,0,0,0|1,0,1]=4 779 B12R1.76 O=CC1=C(C=CC=C1)S(=O)(=O)Cl MCULE-4158833375 [1,1,0,0,0,0|1,0,1]=4 780 B12R1.76 O=CC1=CC=CC=C1S(=O)(=O)O MCULE-1597117155 [1,1,0,0,0,0|1,0,0]=3 781 B12R1.76 O=CC1=CC=CC=C1S(=O)(=O)[O-] MCULE-3801585847 [1,1,0,0,0,0|1,0,1]=4 782 B12R1.76 O=S(=O)(O)C1=C(C=CC=C1)CO MCULE-3564913624 [1,1,0,0,0,0|1,0,1]=4 783 B12R1.77 C#CC1=CC=CC=C1C(=O)OC MCULE-8715370132 [1,1,0,0,0,0|1,0,1]=4 784 B12R1.77 C=CC1=C(C=CC=N1)C(=O)OC MCULE-5825613119 [1,1,0,0,0,0|2,0,0]=4 785 B12R1.77 C=CC1=CC=CC=C1C(=O)OC MCULE-2124839346 [1,1,0,0,0,0|1,0,0]=3 786 B12R1.77 CCC1=CC=CC=C1C(=O)OC MCULE-8046065294 [1,1,0,0,0,0|1,0,1]=4 787 B12R1.77 CNC(=O)C1=C(C=CC=C1)CO MCULE-2808213855 [1,1,0,0,0,0|1,0,1]=4 788 B12R1.77 CNC1=C(C=CC=C1)C(=O)OC MCULE-1155665683 [1,1,0,0,0,0|2,0,0]=4 789 B12R1.77 COC(=O)C1=C(C=CC=C1)C#N MCULE-6542964142 [1,1,0,0,0,0|1,0,1]=4 790 B12R1.77 COC(=O)C1=C(C=CC=C1)C=O MCULE-4277651382 [1,1,0,0,0,0|0,0,0]=2 791 B12R1.77 COC(=O)C1=C(C=CC=C1)CO MCULE-7459998371 [1,1,0,0,0,0|0,0,1]=3 792 B12R1.77 COC(=O)C1=C(C=CC=C1)CS MCULE-3416711129 [1,1,0,0,0,0|0,1,1]=4 793 B12R1.77 COC(=O)C1=C(C=CC=C1)NN MCULE-6481829578 [1,1,0,0,0,0|2,0,0]=4 794 B12R1.77 COC(=O)C1=C(C=CC=C1)NN MCULE-6728837464 [1,1,0,0,0,0|2,0,0]=4 795 B12R1.77 COC(=O)C1=C(C=CC=C1)SC MCULE-2910383289 [1,1,0,0,0,0|2,0,0]=4 796 B12R1.77 COC(=O)C1=C(C=CC=C1)SN MCULE-4207815814 [1,1,0,0,0,0|2,0,0]=4 797 B12R1.77 COC(=O)C1=C(C=NC=C1)C=O MCULE-3892465555 [1,1,0,0,0,0|1,0,0]=3 798 B12R1.77 COC(=O)C1=C(N=CC=C1)C=O MCULE-6761679023 [1,1,0,0,0,0|1,0,0]=3 799 B12R1.77 COC(=O)C1=C(N=CC=C1)CO MCULE-3559996513 [1,1,0,0,0,0|1,0,1]=4 800 B12R1.77 COC(=O)C1=CC=CC=C1CBr MCULE-2479768025 [1,1,0,0,0,0|1,0,1]=4 801 B12R1.77 COC(=O)C1=CC=CC=C1CCl MCULE-7140493608 [1,1,0,0,0,0|1,0,1]=4 802 B12R1.77 COC(=O)C1=CC=CC=C1CN MCULE-5207601241 [1,1,0,0,0,0|1,0,1]=4 803 B12R1.77 COC(=O)C1=CC=CC=C1CN MCULE-5936431386 [1,1,0,0,0,0|1,0,1]=4 804 B12R1.77 COC(=O)C1=CC=CC=C1OC MCULE-7991158417 [1,1,0,0,0,0|2,0,0]=4 805 B12R1.77 COC(=O)C1=CN=CC=C1C=O MCULE-7283835837 [1,1,0,0,0,0|1,0,0]=3 806 B12R1.77 COC(=O)C1=NC=CC=C1C=O MCULE-4706732407 [1,1,0,0,0,0|1,0,0]=3 807 B12R1.77 COC1=C(C=CC=C1)C(=O)CO MCULE-1762963080 [1,1,0,0,0,0|2,0,0]=4 808 B12R1.77 COC1=C(C=CC=C1)C(=O)NO MCULE-1349919829 [1,1,0,0,0,0|2,0,0]=4 809 B12R1.77 NNC(=O)C1=C(C=CC=C1)CO MCULE-5895809545 [1,1,0,0,0,0|1,0,1]=4 810 B12R1.87 CC1=C(C(=CC=C1)C(=O)O)CBr MCULE-5300346605 [1,1,0,0,0,0|1,0,1]=4 811 B12R1.87 CC1=C(C(=CC=C1)N(=O)=O)C=O MCULE-5933442079 [1,1,0,0,0,0|1,0,1]=4 812 B12R1.87 CCC1=C(C=CC=C1C(=O)O)Br MCULE-4905286426 [1,1,0,0,0,0|1,0,1]=4 813 B12R1.87 CCC1=C(C=CC=C1C(=O)O)Cl MCULE-7899621507 [1,1,0,0,0,0|1,0,1]=4 814 B12R1.87 CCC1=C(C=CC=C1O)C(=O)O MCULE-8529143358 [1,1,0,0,0,0|1,0,1]=4 815 B12R1.87 CNC1=C(C=CC=C1C(=O)O)Br MCULE-4203386943 [1,1,0,0,0,0|2,0,0]=4 816 B12R1.87 CNC1=C(C=CC=C1C(=O)O)C MCULE-8265374012 [1,1,0,0,0,0|2,0,0]=4 817 B12R1.87 CNC1=C(C=CC=C1C(=O)O)N MCULE-2159403848 [1,1,0,0,0,0|2,0,0]=4 818 B12R1.87 CNC1=C(C=CC=C1C(=O)O)N MCULE-7464919793 [1,1,0,0,0,0|2,0,0]=4 819 B12R1.87 CNC1=C(C=CC=C1Cl)C(=O)O MCULE-3281914717 [1,1,0,0,0,0|2,0,0]=4 820 B12R1.87 CNC1=C(C=CC=C1F)C(=O)O MCULE-8418561174 [1,1,0,0,0,0|2,0,0]=4 821 B12R1.87 COC1=C(C=CC=C1Br)C(=O)O MCULE-6468167377 [1,1,0,0,0,0|2,0,0]=4 822 B12R1.87 COC1=C(C=CC=C1C(=O)O)N MCULE-9794965261 [1,1,0,0,0,0|2,0,0]=4 823 B12R1.87 COC1=C(C=CC=C1C)C(=O)O MCULE-4091475320 [1,1,0,0,0,0|2,0,0]=4 824 B12R1.87 COC1=C(C=CC=C1Cl)C(=O)O MCULE-1171155760 [1,1,0,0,0,0|2,0,0]=4 825 B12R1.87 COC1=C(C=CC=C1F)C(=O)O MCULE-9813126067 [1,1,0,0,0,0|2,0,0]=4 826 B12R1.87 COC1=C(C=CC=C1I)C(=O)O MCULE-4779777680 [1,1,0,0,0,0|2,0,0]=4 827 B12R1.87 COC1=C(C=CC=C1O)C(=O)O MCULE-1033656397 [1,1,0,0,0,0|2,0,0]=4 828 B12R1.87 CSC1=C(C=CC=C1C(=O)O)Br MCULE-7696810311 [1,1,0,0,0,0|2,0,0]=4 829 B12R1.87 CSC1=C(C=CC=C1Cl)C(=O)O MCULE-6498533549 [1,1,0,0,0,0|2,0,0]=4 830 B12R1.87 CSC1=C(C=CC=C1F)C(=O)O MCULE-2082963633 [1,1,0,0,0,0|2,0,0]=4 831 B12R1.87 N#CC1=C(C=CC=C1C(=O)O)O MCULE-9381000300 [1,1,0,0,0,0|1,0,1]=4 832 B12R1.87 N#CC1=C(C=CC=C1F)C(=O)O MCULE-5210555282 [1,1,0,0,0,0|1,0,1]=4 833 B12R1.87 N#CC1=C(C=CC=C1N)C(=O)O MCULE-9065892360 [1,1,0,0,0,0|1,0,1]=4 834 B12R1.87 NC1=C(C(=CC=C1)N(=O)=O)C=O MCULE-7726762485 [1,1,0,0,0,0|1,0,1]=4 835 B12R1.87 O=C(O)C1=C(C(=CC=C1)Br)CBr MCULE-3909720974 [1,1,0,0,0,0|1,0,1]=4 836 B12R1.87 O=CC1=C(C=CC=C1B(O)O)Br MCULE-9676171029 [1,1,0,0,0,0|1,0,1]=4 837 B12R1.87 O=CC1=C(C=CC=C1B(O)O)F MCULE-9840297604 [1,1,0,0,0,0|1,0,1]=4 838 B12R1.87 O=CC1=C(C=CC=C1Br)C(=O)O MCULE-7676407680 [1,1,0,0,0,0|0,0,0]=2 839 B12R1.87 O=CC1=C(C=CC=C1Br)N(=O)=O MCULE-3303554472 [1,1,0,0,0,0|1,0,1]=4 840 B12R1.87 O=CC1=C(C=CC=C1C(=O)[O-])Br MCULE-2876522370 [1,1,0,0,0,0|0,0,1]=3 841 B12R1.87 O=CC1=C(C=CC=C1Cl)B(O)O MCULE-8911037865 [1,1,0,0,0,0|1,0,1]=4 842 B12R1.87 O=CC1=C(C=CC=C1Cl)C(=O)O MCULE-8210248539 [1,1,0,0,0,0|0,0,0]=2 843 B12R1.87 O=CC1=C(C=CC=C1Cl)N(=O)=O MCULE-9903066001 [1,1,0,0,0,0|1,0,1]=4 844 B12R1.87 O=CC1=C(C=CC=C1F)C(=O)O MCULE-7730871850 [1,1,0,0,0,0|0,0,0]=2 845 B12R1.87 O=CC1=C(C=CC=C1N(=O)=O)F MCULE-9007486151 [1,1,0,0,0,0|1,0,1]=4 846 B12R1.87 O=CC1=C(C=CC=C1O)C(=O)O MCULE-3802946118 [1,1,0,0,0,0|0,0,0]=2 847 B12R1.87 O=CC1=C(C=CC=C1O)N(=O)=O MCULE-6710816652 [1,1,0,0,0,0|1,0,1]=4 848 B12R1.87 O=CC1=C(C=NC=C1Br)C(=O)O MCULE-3010526551 [1,1,0,0,0,0|1,0,0]=3 849 B12R1.87 O=CC1=C(N=CC=C1C(=O)O)Cl MCULE-8577021438 [1,1,0,0,0,0|1,0,0]=3 850 B12R1.283 C=CCC1=CC=CC=C1C(=O)N MCULE-9817782356 [1,1,0,0,0,0|2,0,0]=4 851 B12R1.283 C=CCC1=CC=CC=C1C(=O)O MCULE-1091378974 [1,1,0,0,0,0|1,0,0]=3 852 B12R1.283 CC(=O)C1=CC=CC=C1NC=O MCULE-7637587581 [1,1,0,0,0,0|1,0,0]=3 853 B12R1.283 CCCC1=C(C=CC=C1)C(=O)O MCULE-8469879199 [1,1,0,0,0,0|1,0,1]=4 854 B12R1.283 CCNC1=C(C=CC=C1)C(=O)O MCULE-5226367609 [1,1,0,0,0,0|1,0,1]=4 855 B12R1.283 CCOC1=CC=CC=C1C(=O)O MCULE-8428889014 [1,1,0,0,0,0|1,0,1]=4 856 B12R1.283 CCSC1=C(C=CC=C1)C(=O)O MCULE-8967903143 [1,1,0,0,0,0|1,0,1]=4 857 B12R1.283 CNCC1=C(C=CC=C1)C(=O)O MCULE-8342449642 [1,1,0,0,0,0|1,0,1]=4 858 B12R1.283 COCC1=C(C=CC=C1)C(=O)O MCULE-6800520007 [1,1,0,0,0,0|0,0,1]=3 859 B12R1.283 COCC1=CC=CC=C1C(=O)C MCULE-2485252541 [1,1,0,0,0,0|1,0,1]=4 860 B12R1.283 CSSC1=C(C=CC=C1)C(=O)O MCULE-8098427569 [1,1,0,0,0,0|1,1,0]=4 861 B12R1.283 N#CCC1=CC=CC=C1C(=O)O MCULE-1971288593 [1,1,0,0,0,0|1,0,1]=4 862 B12R1.283 N#N=NC1=CC=CC=C1C(=O)O MCULE-7645929034 [1,1,0,0,0,0|2,0,0]=4 863 B12R1.283 NCCC1=C(C=CC=C1)C(=O)O MCULE-5271162895 [1,1,0,0,0,0|1,0,1]=4 864 B12R1.283 NCCC1=C(C=CC=C1)C(=O)O MCULE-5470409795 [1,1,0,0,0,0|1,0,1]=4 865 B12R1.283 O/N=C/C1=CC=CC=C1B(O)O MCULE-2394446738 [1,1,0,0,0,0|1,0,1]=4 866 B12R1.283 O=C=NC1=C(C=CC=C1)C(=O)Cl MCULE-4868410155 [1,1,0,0,0,0|1,0,1]=4 867 B12R1.283 O=CCC1=CC=CC=C1N(=O)=O MCULE-8051653577 [1,1,0,0,0,0|1,0,1]=4 868 B12R1.283 O=CNC1=C(C=CC=C1)C(=O)O MCULE-3344929418 [1,1,0,0,0,0|0,0,0]=2 869 B12R1.283 O=CNC1=C(C=CC=C1)N(=O)=O MCULE-8841028633 [1,1,0,0,0,0|1,0,1]=4 870 B12R1.283 O=N(=O)C1=CC=CC=C1/C=N/O MCULE-5768457156 [1,1,0,0,0,0|1,0,1]=4 871 B12R1.283 O=N(=O)C1=CC=CC=C1/C=N\O MCULE-9558133130 [1,1,0,0,0,0|1,0,1]=4 872 B12R1.283 O=[N+]([O-])C1=CC=CC=C1C=NO MCULE-4817520623 [1,1,0,0,0,0|1,0,1]=4 873 B12R1.283 ON=CC1=CC=CC=C1B(O)O MCULE-9145164311 [1,1,0,0,0,0|1,0,1]=4 874 B12R1.437 C=CC1=CC=CC(=C1C(=O)O)C MCULE-6517306105 [1,1,0,0,0,0|1,0,0]=3 875 B12R1.437 CC1=C(C(=CC=C1)C=O)C(=O)O MCULE-6904922459 [1,1,0,0,0,0|0,0,0]=2 876 B12R1.437 CC1=CC=CC(=C1N(=O)=O)C=O MCULE-7790853322 [1,1,0,0,0,0|1,0,1]=4 877 B12R1.437 CCC1=C(C(=CC=C1)C)C(=O)O MCULE-1329555576 [1,1,0,0,0,0|1,0,1]=4 878 B12R1.437 CCC1=C(C(=CC=C1)N)C(=O)O MCULE-3613770439 [1,1,0,0,0,0|1,0,1]=4 879 B12R1.437 CCC1=CC=CC(=C1C(=O)O)O MCULE-8680471350 [1,1,0,0,0,0|1,0,1]=4 880 B12R1.437 CNC1=C(C(=CC=C1)Br)C(=O)O MCULE-8314389028 [1,1,0,0,0,0|2,0,0]=4 881 B12R1.437 CNC1=C(C(=CC=C1)C)C(=O)O MCULE-8302778786 [1,1,0,0,0,0|2,0,0]=4 882 B12R1.437 CNC1=C(C(=CC=C1)Cl)C(=O)O MCULE-8330394386 [1,1,0,0,0,0|2,0,0]=4 883 B12R1.437 CNC1=C(C(=CC=C1)I)C(=O)O MCULE-2807166920 [1,1,0,0,0,0|2,0,0]=4 884 B12R1.437 CNC1=CC=CC(=C1C(=O)O)F MCULE-4948407285 [1,1,0,0,0,0|2,0,0]=4 885 B12R1.437 COC1=C(C(=CC=C1)Br)C(=O)O MCULE-7048674637 [1,1,0,0,0,0|2,0,0]=4 886 B12R1.437 COC1=C(C(=CC=C1)C)C(=O)O MCULE-5137124682 [1,1,0,0,0,0|2,0,0]=4 887 B12R1.437 COC1=C(C(=CC=C1)Cl)C(=O)O MCULE-1164310721 [1,1,0,0,0,0|2,0,0]=4 888 B12R1.437 COC1=C(C(=CC=C1)F)C(=O)O MCULE-7575106111 [1,1,0,0,0,0|2,0,0]=4 889 B12R1.437 COC1=C(C(=CC=C1)I)C(=O)O MCULE-1638097104 [1,1,0,0,0,0|2,0,0]=4 890 B12R1.437 COC1=CC=CC(=C1C(=O)O)N MCULE-2153474902 [1,1,0,0,0,0|2,0,0]=4 891 B12R1.437 COC1=CC=CC(=C1C(=O)O)O MCULE-1612767952 [1,1,0,0,0,0|2,0,0]=4 892 B12R1.437 CSC1=C(C(=CC=C1)Br)C(=O)O MCULE-8769429552 [1,1,0,0,0,0|2,0,0]=4 893 B12R1.437 CSC1=C(C(=CC=C1)F)C(=O)O MCULE-6317398539 [1,1,0,0,0,0|2,0,0]=4 894 B12R1.437 N#CC1=C(C(=CC=C1)Br)C(=O)O MCULE-3995202900 [1,1,0,0,0,0|1,0,1]=4 895 B12R1.437 N#CC1=C(C(=CC=C1)F)C(=O)O MCULE-5314069749 [1,1,0,0,0,0|1,0,1]=4 896 B12R1.437 NC1=C(C(=CC=C1)CBr)C(=O)O MCULE-4360616014 [1,1,0,0,0,0|1,0,1]=4 897 B12R1.437 NC1=CC=CC(=C1N(=O)=O)C=O MCULE-3352469572 [1,1,0,0,0,0|1,0,1]=4 898 B12R1.437 O=CC1=C(C(=CC=C1)Cl)C(=O)O MCULE-1835864891 [1,1,0,0,0,0|0,0,0]=2 899 B12R1.437 O=CC1=C(C(=CC=C1)F)C(=O)O MCULE-9055428854 [1,1,0,0,0,0|0,0,0]=2 900 B12R1.437 O=CC1=C(C(=CC=C1)O)N(=O)=O MCULE-5155756932 [1,1,0,0,0,0|1,0,1]=4 901 B12R1.437 O=CC1=CC=CC(=C1B(O)O)F MCULE-4715960369 [1,1,0,0,0,0|1,0,1]=4 902 B12R1.437 O=CC1=CC=CC(=C1C(=O)O)Br MCULE-1810968842 [1,1,0,0,0,0|0,0,0]=2 903 B12R1.437 O=CC1=CC=CC(=C1N(=O)=O)Br MCULE-7023929903 [1,1,0,0,0,0|1,0,1]=4 904 B12R1.437 O=CC1=CC=CC(=C1N(=O)=O)Cl MCULE-1368485887 [1,1,0,0,0,0|1,0,1]=4 905 B12R1.437 O=CC1=CC=CC(=C1N(=O)=O)F MCULE-3265476302 [1,1,0,0,0,0|1,0,1]=4 906 B12R1.368 COC(=O)C1=C(C=CS1)C(=O)O MCULE-4957856189 [0,1,0,0,1,0|1,0,0]=3 907 B12R1.368 COC(=O)C1=C(OC=C1)C(=O)O MCULE-1513974625 [0,1,0,0,1,0|1,0,0]=3 908 B12R1.368 COC(=O)C1=CSC=C1C(=O)O MCULE-3120873058 [0,1,0,0,1,0|1,0,0]=3 909 B12R1.368 COC(=O)C1=NNC=C1C(=O)O MCULE-4693060915 [0,1,0,0,1,0|2,0,0]=4 910 B12R1.498 CC1=C(C(=CO1)C(=O)O)C(=O)O MCULE-7315841240 [0,1,0,0,1,0|1,0,0]=3 911 B12R1.498 CC1=C(C(=CS1)C(=O)O)C(=O)O MCULE-1974079828 [0,1,0,0,1,0|1,0,0]=3 912 B12R1.498 CC1=CNC(=C1C(=O)N)C(=O)O MCULE-1369304466 [0,1,0,0,1,0|2,0,0]=4 913 B12R1.498 CC1=CSC(=C1C(=O)O)C(=O)O MCULE-4264906531 [0,1,0,0,1,0|1,0,0]=3 914 B12R1.498 CN1C=CC(=C1C(=O)O)C(=O)O MCULE-9929848460 [0,1,0,0,1,0|1,0,0]=3 915 B12R1.498 CN1C=NC(=C1C(=O)O)C(=O)O MCULE-1000201378 [0,1,0,0,1,0|2,0,0]=4 916 B12R1.498 CN1C=NC(=C1C(=O)O)C(=O)O MCULE-9456505792 [0,1,0,0,1,0|2,0,0]=4 917 B12R1.498 CN1N=CC(=C1C(=O)O)C(=O)O MCULE-7612850762 [0,1,0,0,1,0|2,0,0]=4 918 B12R1.850 CC1=CC(=C(S1)C(=O)O)C(=O)O MCULE-4153659286 [0,1,0,0,1,0|1,0,0]=3 919 B12R1.850 CC1=NC(=C(N1)C(=O)O)C(=O)O MCULE-3312564538 [0,1,0,0,1,0|2,0,0]=4 920 B12R1.850 CC1=NC(=C(O1)C(=O)O)C(=O)O MCULE-3686585456 [0,1,0,0,1,0|2,0,0]=4 921 B12R1.850 CN1C=C(C(=N1)C(=O)O)C(=O)O MCULE-6364871240 [0,1,0,0,1,0|2,0,0]=4 922 B12R1.850 NC1=NC(=C(N1)C(=O)O)C(=O)O MCULE-5324365924 [0,1,0,0,1,0|2,0,0]=4 923 B12R1.850 O=C(O)C1=C(NC(=N1)Br)C(=O)O MCULE-6745335074 [0,1,0,0,1,0|2,0,0]=4 924 B12R1.850 O=C(O)C1=C(SC(=C1)Br)C(=O)O MCULE-4299389942 [0,1,0,0,1,0|1,0,0]=3 925 B12R1.850 O=C(O)C1=C(SC(=S)S1)C(=O)O MCULE-4781997888 [0,1,0,0,1,0|2,0,0]=4 926 B14R1.164 CC(=O)NC1=C(C=CC(=C1)Br)C(=O)O MCULE-4494478353 [0,1,0,0,0,1|1,0,0]=3 927 B14R1.164 CC(=O)NC1=C(C=CC(=C1)Cl)C(=O)O MCULE-9008212808 [0,1,0,0,0,1|1,0,0]=3 928 B14R1.164 CC(=O)NC1=C(C=CC(=C1)F)C(=O)N MCULE-9157213107 [0,1,0,0,0,1|2,0,0]=4 929 B14R1.164 CC(=O)NC1=C(C=CC(=C1)F)C(=O)O MCULE-1844406156 [0,1,0,0,0,1|1,0,0]=3 930 B14R1.164 CC(=O)NC1=CC(=CC=C1C(=O)N)Br MCULE-2541166999 [0,1,0,0,0,1|2,0,0]=4 931 B14R1.164 CC(=O)NC1=CC(=CN=C1C(=O)O)Br MCULE-7438519589 [0,1,0,0,0,1|2,0,0]=4 932 B14R1.164 CC(=O)OC1=C(C=CC(=C1)C)C(=O)O MCULE-5405998716 [0,1,0,0,0,1|1,0,0]=3 933 B14R1.164 CC(=O)OC1=CC(=CC=C1C(=O)O)Br MCULE-3667364091 [0,1,0,0,0,1|1,0,0]=3 934 B14R1.164 CC(=O)OC1=CC(=CC=C1C(=O)O)O MCULE-3035314482 [0,1,0,0,0,1|1,0,0]=3 935 B14R1.164 CC1=CC=C(C(=C1)CC(=O)O)N(=O)=O MCULE-6276927587 [0,1,0,0,0,1|1,0,1]=4 936 B14R1.164 O=C(O)CC1=C(C=CC(=C1)F)N(=O)=O MCULE-3363151616 [0,1,0,0,0,1|1,0,1]=4 937 B14R1.164 O=C(O)CC1=CC(=CC=C1C(=O)O)Br MCULE-7217904832 [0,1,0,0,0,1|0,0,0]=2 938 B14R1.164 O=C(O)CC1=CC(=CC=C1C(=O)O)Cl MCULE-3311524524 [0,1,0,0,0,1|0,0,0]=2 939 B14R1.164 O=C(O)CC1=CC(=CC=C1C(=O)O)F MCULE-6609053292 [0,1,0,0,0,1|0,0,0]=2 940 B14R1.164 O=C(O)CC1=CC(=CC=C1N(=O)=O)Br MCULE-2582011805 [0,1,0,0,0,1|1,0,1]=4 941 B14R1.164 O=C(O)CC1=CC(=CC=C1N(=O)=O)Cl MCULE-5199787051 [0,1,0,0,0,1|1,0,1]=4 942 B14R1.164 O=C(O)CC1=CC(=CC=C1N(=O)=O)I MCULE-6046310465 [0,1,0,0,0,1|1,0,1]=4 943 B14R1.429 CC(=O)C1=C(C=CC=C1)[C@@H](O)C(=O)O MCULE-3781863945 [0,1,0,0,0,1|1,0,0]=3 944 B14R1.429 CC(=O)C1=CC=CC=C1C(O)C(=O)O MCULE-8902421170 [0,1,0,0,0,1|1,0,0]=3 945 B14R1.429 CC(=O)C1=CC=CC=C1[C@@H](O)C(=O)Cl MCULE-6812541497 [0,1,0,0,0,1|2,0,0]=4 946 B14R1.429 CC(=O)C1=CC=CC=C1[C@@H](O)C(=O)O MCULE-5154994448 [0,1,0,0,0,1|1,0,0]=3 947 B14R1.429 CC(=O)C1=CC=CC=C1[C@H](O)C(=O)O MCULE-5555802966 [0,1,0,0,0,1|1,0,0]=3 948 B14R1.429 CC(=O)N(C)C1=C(C=CC=C1)C(=O)O MCULE-6239410092 [0,1,0,0,0,1|1,0,0]=3 949 B14R1.429 CC(C(=O)O)C1=C(C=CC=C1)C(=O)O MCULE-4321520344 [0,1,0,0,0,1|0,0,0]=2 950 B14R1.429 CC(C(=O)O)C1=CC=CC=C1N(=O)=O MCULE-3516126786 [0,1,0,0,0,1|1,0,1]=4 951 B14R1.429 C[C@@H](O)[C@@H](N)C1=CC=CC=C1C(=O)O MCULE-2128401048 [0,1,0,0,0,1|1,0,1]=4 952 B14R1.429 C[C@@H](O)[C@@H](N)C1=CC=CC=C1C(=O)O MCULE-5443176028 [0,1,0,0,0,1|1,0,1]=4 953 B14R1.429 C[C@H](O)[C@H](N)C1=CC=CC=C1C(=O)O MCULE-3188978105 [0,1,0,0,0,1|1,0,1]=4 954 B14R1.429 C[C@H](O)[C@H](N)C1=CC=CC=C1C(=O)O MCULE-6397971679 [0,1,0,0,0,1|1,0,1]=4 955 B14R1.429 NC(C(=O)O)C1=C(C=CC=C1)N(=O)=O MCULE-5702153595 [0,1,0,0,0,1|1,0,1]=4 956 B14R1.429 NC(C(=O)O)C1=C(C=CC=C1)N(=O)=O MCULE-6423174754 [0,1,0,0,0,1|1,0,1]=4 957 B14R1.429 O=C(O)C(=O)C1=C(C=CC=C1)N(=O)=O MCULE-9243242502 [0,1,0,0,0,1|1,0,1]=4 958 B14R1.429 O=C(O)C(=O)C1=CC=CC=C1C(=O)O MCULE-9220630853 [0,1,0,0,0,1|0,0,0]=2 959 B14R1.744 CC(=O)NC1=CC=CC=C1C(=O)NN MCULE-6937796309 [0,1,0,0,0,1|2,0,0]=4 960 B14R1.744 CCC(=O)C1=CC=CC=C1OC(=O)C MCULE-6432512214 [0,1,0,0,0,1|2,0,0]=4 961 B14R1.744 CNC(=O)C1=C(C=CC=C1)OC(=O)C MCULE-7780055788 [0,1,0,0,0,1|2,0,0]=4 962 B14R1.744 COC(=O)C1=C(C=CC=C1)CC(=O)O MCULE-1517713452 [0,1,0,0,0,1|0,0,0]=2 963 B14R1.744 COC(=O)C1=C(C=CC=C1)OC(=O)C MCULE-6223557049 [0,1,0,0,0,1|1,0,0]=3 964 B14R1.744 COC(=O)C1=CC=CC=C1NC(=O)C MCULE-7121970472 [0,1,0,0,0,1|1,0,0]=3 965 B14R1.815 CS(=O)(=O)C1=CC=CC=C1CC(=O)O MCULE-1103832396 [0,1,0,0,0,1|1,0,1]=4 966 B14R1.815 O=C(O)CC1=CC=CC=C1S(=O)(=O)O MCULE-3967037310 [0,1,0,0,0,1|1,0,0]=3 967 B14R1.3302 C=CC(=O)NC1=C(C=CC=C1)C(=O)C MCULE-9583913481 [0,1,0,0,0,1|2,0,0]=4 968 B14R1.3302 C=CC(=O)OC1=C(C=CC=C1)C(=O)C MCULE-4717907375 [0,1,0,0,0,1|2,0,0]=4 969 B14R1.3302 CC(=O)C1=C(C=CC=C1)NC(=O)CBr MCULE-1172539426 [0,1,0,0,0,1|2,0,0]=4 970 B14R1.3302 CC(=O)C1=C(C=CC=C1)NC(=O)CCl MCULE-8563713564 [0,1,0,0,0,1|2,0,0]=4 971 B14R1.3302 CCC(=O)NC1=C(C=CC=C1)C(=O)N MCULE-6424883380 [0,1,0,0,0,1|2,0,0]=4 972 B14R1.3302 CCC(=O)NC1=CC=CC=C1C(=O)O MCULE-4894157635 [0,1,0,0,0,1|1,0,0]=3 973 B14R1.3302 CCC(=O)OC1=CC=CC=C1C(=O)O MCULE-1553940048 [0,1,0,0,0,1|1,0,0]=3 974 B14R1.3302 CNC(=O)NC1=C(C=CC=C1)C(=O)O MCULE-8330757012 [0,1,0,0,0,1|1,0,0]=3 975 B14R1.3302 COC(=O)CC1=C(C=CC=C1)C(=O)O MCULE-2120753780 [0,1,0,0,0,1|0,0,0]=2 976 B14R1.3302 COC(=O)CC1=C(C=CC=C1)N(=O)=O MCULE-2816555835 [0,1,0,0,0,1|1,0,1]=4 977 B14R1.3302 COC(=O)CC1=CC=CC=C1C(=O)C MCULE-6036292868 [0,1,0,0,0,1|1,0,0]=3 978 B14R1.3302 COC(=O)NC1=C(C=CC=C1)C(=O)N MCULE-2977910621 [0,1,0,0,0,1|1,0,0]=3 979 B14R1.3302 COC(=O)NC1=C(C=CC=C1)C(=O)O MCULE-2166405608 [0,1,0,0,0,1|0,0,0]=2 980 B14R1.3302 NC(=O)C1=CC=CC=C1NC(=O)CCl MCULE-4878920317 [0,1,0,0,0,1|2,0,0]=4 981 B14R1.3302 O=C(CCl)NC1=C(C=CC=C1)C(=O)O MCULE-5294955455 [0,1,0,0,0,1|1,0,0]=3 982 B14R1.4894 CC(=O)NC1=C(C=CC=C1C(=O)O)O MCULE-4610248055 [0,1,0,0,0,1|1,0,0]=3 983 B14R1.4894 CC(=O)NC1=C(C=CC=C1C)C(=O)O MCULE-7646791165 [0,1,0,0,0,1|1,0,0]=3 984 B14R1.4894 CC(=O)NC1=C(C=CC=C1Cl)C(=O)O MCULE-6680514743 [0,1,0,0,0,1|1,0,0]=3 985 B14R1.4894 CC(=O)NC1=C(C=CC=C1F)C(=O)O MCULE-9358823727 [0,1,0,0,0,1|1,0,0]=3 986 B14R1.4894 CC(=O)OC1=C(C=CC=C1C(=O)O)C MCULE-6533937024 [0,1,0,0,0,1|1,0,0]=3 987 B14R1.4894 CC1=C(C(=CC=C1)C(=O)O)CC(=O)O MCULE-2737686503 [0,1,0,0,0,1|0,0,0]=2 988 B14R1.4894 CC1=CC=CC(=C1CC(=O)O)N(=O)=O MCULE-1002444344 [0,1,0,0,0,1|1,0,1]=4 989 B14R1.4894 O=C(O)CC1=C(C=CC=C1Br)N(=O)=O MCULE-9187669069 [0,1,0,0,0,1|1,0,1]=4 990 B14R1.4894 O=C(O)CC1=C(C=CC=C1C(=O)O)Br MCULE-7151539028 [0,1,0,0,0,1|0,0,0]=2 991 B14R1.4894 O=C(O)CC1=C(C=CC=C1C(=O)O)Cl MCULE-1910607878 [0,1,0,0,0,1|0,0,0]=2 992 B14R1.4894 O=C(O)CC1=C(C=CC=C1C(=O)O)F MCULE-9485941922 [0,1,0,0,0,1|0,0,0]=2 993 B14R1.4894 O=C(O)CC1=C(C=CC=C1F)N(=O)=O MCULE-7628487967 [0,1,0,0,0,1|1,0,1]=4 994 B14R1.4894 O=C(O)CC1=C(C=CC=C1I)N(=O)=O MCULE-7954862021 [0,1,0,0,0,1|1,0,1]=4 995 B14R1.4894 O=C(O)CC1=C(C=CC=C1N(=O)=O)Cl MCULE-9684778298 [0,1,0,0,0,1|1,0,1]=4 996 B14R1.4926 CC(=O)NC1=C(C(=CC=C1)Cl)C(=O)O MCULE-4584748134 [0,1,0,0,0,1|1,0,0]=3 997 B14R1.4926 CC(=O)NC1=C(C(=CC=C1)F)C(=O)O MCULE-2774923956 [0,1,0,0,0,1|1,0,0]=3 998 B14R1.4926 CC(=O)NC1=CC=CC(=C1C(=O)O)C MCULE-8034024058 [0,1,0,0,0,1|1,0,0]=3 999 B14R1.4926 CC(=O)OC1=C(C(=CC=C1)C)C(=O)O MCULE-6695004571 [0,1,0,0,0,1|1,0,0]=3 1000 B14R1.4926 CC1=CC=CC(=C1N(=O)=O)CC(=O)O MCULE-6355438418 [0,1,0,0,0,1|1,0,1]=4 1001 B14R1.4926 NC(=O)NC1=C(C(=CC=C1)F)C(=O)O MCULE-4816613508 [0,1,0,0,0,1|1,0,0]=3 1002 B14R1.4926 O=C(O)CC1=C(C(=CC=C1)Br)N(=O)=O MCULE-9806006376 [0,1,0,0,0,1|1,0,1]=4 1003 B14R1.4926 O=C(O)CC1=C(C(=CC=C1)O)C(=O)O MCULE-8445047699 [0,1,0,0,0,1|0,0,0]=2 1004 B14R1.4926 O=C(O)CC1=CC=CC(=C1C(=O)O)F MCULE-2546967096 [0,1,0,0,0,1|0,0,0]=2 1005 B14R1.4926 O=C(O)CC1=CC=CC(=C1N(=O)=O)Cl MCULE-9273964205 [0,1,0,0,0,1|1,0,1]=4 1006 B14R1.4926 O=C(O)CC1=CC=CC(=C1N(=O)=O)F MCULE-1404539229 [0,1,0,0,0,1|1,0,1]=4 1007 B14R1.6074 CC(=O)NC1=C(C=C(C=C1)Br)C(=O)C MCULE-9114865422 [0,1,0,0,0,1|2,0,0]=4 1008 B14R1.6074 CC(=O)NC1=C(C=C(C=C1)Cl)C(=O)O MCULE-7964554961 [0,1,0,0,0,1|1,0,0]=3 1009 B14R1.6074 CC(=O)NC1=C(C=C(C=C1)F)C(=O)O MCULE-2874482161 [0,1,0,0,0,1|1,0,0]=3 1010 B14R1.6074 CC(=O)NC1=C(C=C(C=C1)I)C(=O)O MCULE-3438849269 [0,1,0,0,0,1|1,0,0]=3 1011 B14R1.6074 CC(=O)NC1=CC=C(C=C1C(=O)O)Br MCULE-2116317707 [0,1,0,0,0,1|1,0,0]=3 1012 B14R1.6074 CC(=O)NC1=CC=C(C=C1C(=O)O)C MCULE-5382012989 [0,1,0,0,0,1|1,0,0]=3 1013 B14R1.6074 CC(=O)NC1=CC=C(C=C1C(=O)O)O MCULE-5874430744 [0,1,0,0,0,1|1,0,0]=3 1014 B14R1.6074 CC(=O)NC1=CC=C(N=C1C(=O)O)Br MCULE-5399143182 [0,1,0,0,0,1|2,0,0]=4 1015 B14R1.6074 CC(=O)NC1=CN=C(C=C1C(=O)O)Cl MCULE-5962888088 [0,1,0,0,0,1|2,0,0]=4 1016 B14R1.6074 CC(=O)OC1=C(C=C(C=C1)Br)C(=O)O MCULE-4103590957 [0,1,0,0,0,1|1,0,0]=3 1017 B14R1.6074 CC(=O)OC1=CC=C(C=C1C(=O)O)Cl MCULE-5240299802 [0,1,0,0,0,1|1,0,0]=3 1018 B14R1.6074 CC(=O)OC1=CC=C(C=C1C(=O)O)O MCULE-4585002140 [0,1,0,0,0,1|1,0,0]=3 1019 B14R1.6074 CC(=O)SC1=C(C=C(C=C1)Br)C(=O)O MCULE-9173042927 [0,1,0,0,0,1|1,0,0]=3 1020 B14R1.6074 CC1=CC=C(C(=C1)C(=O)O)CC(=O)O MCULE-7627589049 [0,1,0,0,0,1|0,0,0]=2 1021 B14R1.6074 CC1=CC=C(C(=C1)N(=O)=O)CC(=O)O MCULE-9434570202 [0,1,0,0,0,1|1,0,1]=4 1022 B14R1.6074 NC(=O)NC1=C(C=C(C=C1)Br)C(=O)O MCULE-1250978576 [0,1,0,0,0,1|1,0,0]=3 1023 B14R1.6074 NC1=CC=C(C(=C1)C(=O)O)CC(=O)O MCULE-8784666821 [0,1,0,0,0,1|0,0,0]=2 1024 B14R1.6074 NC1=CC=C(C(=C1)N(=O)=O)CC(=O)O MCULE-5779606777 [0,1,0,0,0,1|1,0,1]=4 1025 B14R1.6074 O=C(O)C1=CC(=CC=C1C=C(Cl)Cl)O MCULE-3197053430 [0,1,0,0,0,1|2,0,0]=4 1026 B14R1.6074 O=C(O)CC1=C(C=C(C=C1)Br)C(=O)O MCULE-4986008206 [0,1,0,0,0,1|0,0,0]=2 1027 B14R1.6074 O=C(O)CC1=C(C=C(C=C1)Cl)N(=O)=O MCULE-5415473943 [0,1,0,0,0,1|1,0,1]=4 1028 B14R1.6074 O=C(O)CC1=CC=C(C=C1C(=O)O)F MCULE-2248916450 [0,1,0,0,0,1|0,0,0]=2 1029 B14R1.6074 O=C(O)CC1=CC=C(C=C1N(=O)=O)Br MCULE-3576743716 [0,1,0,0,0,1|1,0,1]=4 1030 B14R1.6074 O=C(O)CC1=CC=C(C=C1N(=O)=O)F MCULE-3335874217 [0,1,0,0,0,1|1,0,1]=4 1031 B14R1.6074 O=C(O)CC1=CC=C(C=C1N(=O)=O)I MCULE-4139188015 [0,1,0,0,0,1|1,0,1]=4 1032 B14R1.6312 CS(=O)(=NC1=C(C=CC=C1)C(=O)O)C MCULE-8735141669 [0,1,0,0,0,1|2,0,0]=4 1033 B14R1.6312 CS(=O)(=O)CC1=CC=CC=C1C(=O)O MCULE-2544840705 [0,1,0,0,0,1|1,0,1]=4 1034 B14R1.6312 CS(=O)(=O)NC1=C(C=CC=C1)C(=O)O MCULE-2455571176 [0,1,0,0,0,1|1,0,1]=4 1035 B14R1.6312 O=C(O)C1=C(C=CC=C1)OP(=O)(O)O MCULE-1086101121 [0,1,0,0,0,1|1,0,0]=3 1036 B14R1.6312 O=C(O)C1=CC=CC=C1OS(=O)(=O)O MCULE-3023695647 [0,1,0,0,0,1|1,0,0]=3 1037 B14R1.6312 O=C([O-])C1=CC=CC=C1OS(=O)(=O)O MCULE-2194014763 [0,1,0,0,0,1|1,0,1]=4 1038 B14R1.104 C#CC1=CC=C(C(=C1)C(=O)O)C(=O)O MCULE-6034336644 [0,2,0,0,0,0|0,0,0]=2 1039 B14R1.104 CCC1=CC=C(C(=C1)N(=O)=O)C(=O)O MCULE-7000497717 [0,2,0,0,0,0|1,0,1]=4 1040 B14R1.104 CCC1=CN=C(C(=C1)C(=O)O)C(=O)O MCULE-7437903521 [0,2,0,0,0,0|1,0,0]=3 1041 B14R1.104 COC1=CC(=C(C=C1)C(=O)O)C(=O)O MCULE-1044438929 [0,2,0,0,0,0|0,0,0]=2 1042 B14R1.104 COC1=CC(=C(C=C1)C(=O)O)N(=O)=O MCULE-2282728500 [0,2,0,0,0,0|1,0,1]=4 1043 B14R1.104 COC1=CC(=C(C=C1)N(=O)=O)C(=O)O MCULE-8399808603 [0,2,0,0,0,0|1,0,1]=4 1044 B14R1.104 COC1=CC=C(C(=C1)B(O)O)C(=O)O MCULE-5594389687 [0,2,0,0,0,0|1,0,1]=4 1045 B14R1.104 COC1=CC=C(C(=C1)C(=O)O)B(O)O MCULE-1542953476 [0,2,0,0,0,0|1,0,1]=4 1046 B14R1.104 CSC1=CC(=C(C=C1)N(=O)=O)C(=O)O MCULE-5616159038 [0,2,0,0,0,0|1,0,1]=4 1047 B14R1.104 CSC1=CC=C(C(=C1)N(=O)=O)C(=O)O MCULE-5599537485 [0,2,0,0,0,0|1,0,1]=4 1048 B14R1.104 CSC1=NC=C(C(=N1)C(=O)O)C(=O)O MCULE-1130769354 [0,2,0,0,0,0|2,0,0]=4 1049 B14R1.104 N#CC1=CC(=C(C=C1)C(=O)O)N(=O)=O MCULE-4434497297 [0,2,0,0,0,0|1,0,1]=4 1050 B14R1.104 O=C(O)C1=C(C=CC(=C1)CBr)N(=O)=O MCULE-1798373836 [0,2,0,0,0,0|1,0,1]=4 1051 B14R1.707 COC(=O)C1=C(C=CC(=C1)C)B(O)O MCULE-5998362692 [0,2,0,0,0,0|1,0,1]=4 1052 B14R1.707 COC(=O)C1=C(C=CC(=C1)Cl)C(=O)C MCULE-1811202290 [0,2,0,0,0,0|1,0,0]=3 1053 B14R1.707 COC(=O)C1=C(C=CC(=C1)Cl)N(=O)=O MCULE-9707277387 [0,2,0,0,0,0|1,0,1]=4 1054 B14R1.707 COC(=O)C1=C(C=CC(=C1)F)C(=O)O MCULE-9514888465 [0,2,0,0,0,0|0,0,0]=2 1055 B14R1.707 COC(=O)C1=C(C=CC(=C1)F)N(=O)=O MCULE-9290646411 [0,2,0,0,0,0|1,0,1]=4 1056 B14R1.707 COC(=O)C1=C(C=CC(=C1)O)N(=O)=O MCULE-3364628038 [0,2,0,0,0,0|1,0,1]=4 1057 B14R1.707 COC(=O)C1=CC(=CC=C1B(O)O)Cl MCULE-5694483063 [0,2,0,0,0,0|1,0,1]=4 1058 B14R1.707 COC(=O)C1=CC(=CC=C1B(O)O)F MCULE-7434052193 [0,2,0,0,0,0|1,0,1]=4 1059 B14R1.707 COC(=O)C1=CC(=CC=C1C(=O)N)F MCULE-7892236166 [0,2,0,0,0,0|1,0,0]=3 1060 B14R1.707 COC(=O)C1=CC(=CC=C1C(=O)O)N MCULE-7013917945 [0,2,0,0,0,0|0,0,0]=2 1061 B14R1.707 COC(=O)C1=CC(=CC=C1N(=O)=O)Br MCULE-6220124546 [0,2,0,0,0,0|1,0,1]=4 1062 B14R1.707 COC(=O)C1=CC(=CC=C1N(=O)=O)C MCULE-9539064287 [0,2,0,0,0,0|1,0,1]=4 1063 B14R1.707 COC(=O)C1=CC(=CC=C1N(=O)=O)I MCULE-7077996229 [0,2,0,0,0,0|1,0,1]=4 1064 B14R1.707 COC(=O)C1=CC(=CC=C1N(=O)=O)N MCULE-3726405826 [0,2,0,0,0,0|1,0,1]=4 1065 B14R1.707 COC(=O)C1=CC(=NC=C1C(=O)C)Cl MCULE-1368980107 [0,2,0,0,0,0|2,0,0]=4 1066 B14R1.1126 COC(=O)C1=C(C=C(C=C1)C)N(=O)=O MCULE-6048210711 [0,2,0,0,0,0|1,0,1]=4 1067 B14R1.1126 COC(=O)C1=C(C=C(C=C1)Cl)N(=O)=O MCULE-1787369570 [0,2,0,0,0,0|1,0,1]=4 1068 B14R1.1126 COC(=O)C1=C(C=C(C=C1)F)C(=O)O MCULE-4695400256 [0,2,0,0,0,0|0,0,0]=2 1069 B14R1.1126 COC(=O)C1=C(C=C(C=C1)O)N(=O)=O MCULE-8295116583 [0,2,0,0,0,0|1,0,1]=4 1070 B14R1.1126 COC(=O)C1=CC=C(C=C1B(O)O)Cl MCULE-7906081536 [0,2,0,0,0,0|1,0,1]=4 1071 B14R1.1126 COC(=O)C1=CC=C(C=C1B(O)O)F MCULE-4363072940 [0,2,0,0,0,0|1,0,1]=4 1072 B14R1.1126 COC(=O)C1=CC=C(C=C1B(O)O)N MCULE-8823460747 [0,2,0,0,0,0|1,0,1]=4 1073 B14R1.1126 COC(=O)C1=CC=C(C=C1C(=O)C)Br MCULE-5848090000 [0,2,0,0,0,0|1,0,0]=3 1074 B14R1.1126 COC(=O)C1=CC=C(C=C1N(=O)=O)Br MCULE-4611551013 [0,2,0,0,0,0|1,0,1]=4 1075 B14R1.1126 COC(=O)C1=CC=C(C=C1N(=O)=O)F MCULE-9708387251 [0,2,0,0,0,0|1,0,1]=4 1076 B14R1.1126 COC(=O)C1=CC=C(C=C1N(=O)=O)I MCULE-6793392285 [0,2,0,0,0,0|1,0,1]=4 1077 B14R1.1126 COC(=O)C1=CC=C(C=C1N(=O)=O)N MCULE-3224804522 [0,2,0,0,0,0|1,0,1]=4 1078 B14R1.3146 CC1=C(C(=CC(=C1)Cl)N(=O)=O)C(=O)O MCULE-4029019365 [0,2,0,0,0,0|1,0,1]=4 1079 B14R1.3146 CC1=C(C(=CC(=C1)F)C(=O)O)N(=O)=O MCULE-3079494013 [0,2,0,0,0,0|1,0,1]=4 1080 B14R1.3146 CC1=C(C(=CC(=C1)O)C(=O)O)N(=O)=O MCULE-2165851779 [0,2,0,0,0,0|1,0,1]=4 1081 B14R1.3146 CC1=CC(=C(C(=C1)C(=O)O)N(=O)=O)C MCULE-7692465540 [0,2,0,0,0,0|1,0,1]=4 1082 B14R1.3146 CC1=CC(=C(C(=C1)N(=O)=O)C(=O)O)C MCULE-7871835661 [0,2,0,0,0,0|1,0,1]=4 1083 B14R1.3146 CC1=CC(=C(C(=N1)N)C(=O)O)C(=O)O MCULE-9103928584 [0,2,0,0,0,0|1,0,0]=3 1084 B14R1.3146 CC1=CC(=C(C(=N1)O)C(=O)O)C(=O)O MCULE-7542886807 [0,2,0,0,0,0|1,0,0]=3 1085 B14R1.3146 CC1=CC(=CC(=C1C(=O)O)N(=O)=O)Br MCULE-1270413197 [0,2,0,0,0,0|1,0,1]=4 1086 B14R1.3146 CC1=NC(=C(C(=C1)C(=O)O)C(=O)O)C MCULE-4955919229 [0,2,0,0,0,0|1,0,0]=3 1087 B14R1.3146 NC1=C(C(=CC(=C1)Cl)C(=O)O)N(=O)=O MCULE-3296376056 [0,2,0,0,0,0|1,0,1]=4 1088 B14R1.3146 NC1=CC(=CC(=C1C(=O)O)N(=O)=O)Br MCULE-5668548366 [0,2,0,0,0,0|1,0,1]=4 1089 B14R1.3146 NC1=CC(=CC(=C1C(=O)O)N(=O)=O)Cl MCULE-3862366976 [0,2,0,0,0,0|1,0,1]=4 1090 B14R1.3146 NC1=CC(=CC(=C1C(=O)O)N(=O)=O)F MCULE-3898975109 [0,2,0,0,0,0|1,0,1]=4 1091 B14R1.3146 O=C(O)C1=C(C(=CC(=C1)F)F)N(=O)=O MCULE-4852325977 [0,2,0,0,0,0|1,0,1]=4 1092 B14R1.3146 O=C(O)C1=C(C(=NC(=C1)Cl)Cl)C(=O)O MCULE-9853778058 [0,2,0,0,0,0|1,0,0]=3 1093 B14R1.3146 O=C(O)C1=C(C=C(C=C1Cl)Br)N(=O)=O MCULE-5546783280 [0,2,0,0,0,0|1,0,1]=4 1094 B14R1.3146 O=C(O)C1=C(C=C(C=C1F)Br)N(=O)=O MCULE-6529939020 [0,2,0,0,0,0|1,0,1]=4 1095 B14R1.3146 O=C(O)C1=CC(=CC(=C1C(=O)O)Cl)Cl MCULE-4384344278 [0,2,0,0,0,0|0,0,0]=2 1096 B14R1.3146 O=C(O)C1=CC(=CC(=C1C(=O)O)F)Br MCULE-4750437357 [0,2,0,0,0,0|0,0,0]=2 1097 B14R1.3146 O=C(O)C1=CC(=CC(=C1N(=O)=O)Br)F MCULE-2126154447 [0,2,0,0,0,0|1,0,1]=4 1098 B14R1.3146 O=C(O)C1=CC(=CC(=C1N(=O)=O)Cl)Cl MCULE-7632516222 [0,2,0,0,0,0|1,0,1]=4 1099 B14R1.3146 O=C(O)C1=CC(=CC(=C1N(=O)=O)O)F MCULE-7019258607 [0,2,0,0,0,0|1,0,1]=4 1100 B14R1.6027 CC1=C(C=C(C(=C1)C(=O)O)N(=O)=O)Br MCULE-4676624150 [0,2,0,0,0,0|1,0,1]=4 1101 B14R1.6027 CC1=C(C=C(C(=C1)C(=O)O)N(=O)=O)F MCULE-4006280088 [0,2,0,0,0,0|1,0,1]=4 1102 B14R1.6027 CC1=C(C=C(C(=C1)N(=O)=O)C(=O)O)Cl MCULE-3405286736 [0,2,0,0,0,0|1,0,1]=4 1103 B14R1.6027 CC1=C(C=C(C(=C1)N(=O)=O)C(=O)O)F MCULE-3906048098 [0,2,0,0,0,0|1,0,1]=4 1104 B14R1.6027 CC1=C(C=C(C(=C1)N(=O)=O)C(=O)O)N MCULE-8644432948 [0,2,0,0,0,0|1,0,1]=4 1105 B14R1.6027 CC1=C(CC(=C(C1)C(=O)O)C(=O)O)C MCULE-2831224780 [0,2,0,0,0,0|0,0,2]=4 1106 B14R1.6027 CC1=C(N=C(C(=N1)C(=O)O)C(=O)O)C MCULE-7283264432 [0,2,0,0,0,0|2,0,0]=4 1107 B14R1.6027 CC1=CC(=C(C=C1C)C(=O)O)C(=O)O MCULE-6490961170 [0,2,0,0,0,0|0,0,0]=2 1108 B14R1.6027 CC1=CC(=C(C=C1C)N(=O)=O)C(=O)O MCULE-6008882219 [0,2,0,0,0,0|1,0,1]=4 1109 B14R1.6027 NC(=O)C1=C(C=C(C(=C1)Cl)Cl)C(=O)N MCULE-3814732295 [0,2,0,0,0,0|2,0,0]=4 1110 B14R1.6027 NC(=O)C1=C(C=C(C(=C1)F)F)C(=O)O MCULE-6456075908 [0,2,0,0,0,0|1,0,0]=3 1111 B14R1.6027 NC(=O)C1=CC(=C(C=C1C(=O)N)Br)Br MCULE-6673411685 [0,2,0,0,0,0|2,0,0]=4 1112 B14R1.6027 NC(=O)C1=CC(=C(C=C1C(=O)O)Br)Br MCULE-1365276768 [0,2,0,0,0,0|1,0,0]=3 1113 B14R1.6027 NC(=O)C1=CC(=C(C=C1C(=O)O)Cl)Cl MCULE-6619357384 [0,2,0,0,0,0|1,0,0]=3 1114 B14R1.6027 NC1=C(C=C(C(=C1)C(=O)O)N(=O)=O)F MCULE-7991478266 [0,2,0,0,0,0|1,0,1]=4 1115 B14R1.6027 NC1=CC(=C(C=C1Cl)N(=O)=O)C(=O)O MCULE-5422182543 [0,2,0,0,0,0|1,0,1]=4 1116 B14R1.6027 O=C(O)C1=C(C=C(C(=C1)Br)Br)C(=O)O MCULE-6277688743 [0,2,0,0,0,0|0,0,0]=2 1117 B14R1.6027 O=C(O)C1=C(C=C(C(=C1)Br)Cl)N(=O)=O MCULE-5853978284 [0,2,0,0,0,0|1,0,1]=4 1118 B14R1.6027 O=C(O)C1=C(C=C(C(=C1)Cl)F)N(=O)=O MCULE-6308964514 [0,2,0,0,0,0|1,0,1]=4 1119 B14R1.6027 O=C(O)C1=C(C=C(C(=C1)F)Cl)N(=O)=O MCULE-8007226994 [0,2,0,0,0,0|1,0,1]=4 1120 B14R1.6027 O=C(O)C1=C(C=C(C(=C1)F)F)C(=O)O MCULE-3727504979 [0,2,0,0,0,0|0,0,0]=2 1121 B14R1.6027 O=C(O)C1=C(C=C(C(=C1)F)F)N(=O)=O MCULE-7643379220 [0,2,0,0,0,0|1,0,1]=4 1122 B14R1.6027 O=C(O)C1=C(C=C(C(=C1)O)Br)N(=O)=O MCULE-7607575578 [0,2,0,0,0,0|1,0,1]=4 1123 B14R1.6027 O=C(O)C1=CC(=C(C=C1C(=O)O)Br)Cl MCULE-5140081638 [0,2,0,0,0,0|0,0,0]=2 1124 B14R1.6027 O=C(O)C1=CC(=C(C=C1C(=O)O)Cl)Cl MCULE-5676741485 [0,2,0,0,0,0|0,0,0]=2 1125 B14R1.6027 O=C(O)C1=CC(=C(C=C1C(=O)O)I)I MCULE-5236084359 [0,2,0,0,0,0|0,0,0]=2 1126 B14R1.6027 O=C(O)C1=CC(=C(C=C1N(=O)=O)Br)Cl MCULE-3374706580 [0,2,0,0,0,0|1,0,1]=4 1127 B14R1.6027 O=C(O)C1=CC(=C(C=C1N(=O)=O)Br)F MCULE-1285171180 [0,2,0,0,0,0|1,0,1]=4 1128 B14R1.6027 O=C(O)C1=CC(=C(C=C1N(=O)=O)Cl)Cl MCULE-9765247630 [0,2,0,0,0,0|1,0,1]=4 1129 B14R1.6027 O=C(O)C1=CC(=C(C=C1N(=O)=O)Cl)O MCULE-8435585752 [0,2,0,0,0,0|1,0,1]=4 1130 B14R1.6027 O=C(O)C1=CC(=C(C=C1N(=O)=O)F)Br MCULE-3687658580 [0,2,0,0,0,0|1,0,1]=4 1131 B14R1.6027 O=C(O)C1=CC(=C(C=C1N(=O)=O)F)O MCULE-2841521661 [0,2,0,0,0,0|1,0,1]=4 1132 B14R1.6027 O=C(O)C1=NC(=C(N=C1C(=O)O)Cl)Cl MCULE-5287171615 [0,2,0,0,0,0|2,0,0]=4 1133 B14R1.6044 CS(=O)(=O)C1=C(C=CC(=C1)Br)C(=O)O MCULE-2592022266 [0,2,0,0,0,0|1,0,1]=4 1134 B14R1.6044 CS(=O)(=O)C1=C(C=CC(=C1)Cl)C(=O)O MCULE-6245284930 [0,2,0,0,0,0|1,0,1]=4 1135 B14R1.6044 NC1=CC=C(C(=C1)S(=O)(=O)O)C(=O)O MCULE-8463727628 [0,2,0,0,0,0|1,0,0]=3 1136 B14R1.6044 NS(=O)(=O)C1=C(C=CC(=C1)Br)C(=O)O MCULE-8643242021 [0,2,0,0,0,0|1,0,1]=4 1137 B14R1.6051 CC1=CC(=C(C=C1)S(=O)(=O)N)C(=O)O MCULE-4550717137 [0,2,0,0,0,0|1,0,1]=4 1138 B14R1.6051 CC1=CC=C(C(=C1)C(=O)O)S(=O)(=O)C MCULE-2421751093 [0,2,0,0,0,0|1,0,1]=4 1139 B14R1.6051 CS(=O)(=O)C1=C(C=C(C=C1)Cl)C(=O)O MCULE-1576585466 [0,2,0,0,0,0|1,0,1]=4 1140 B14R1.6051 CS(=O)(=O)C1=CC=C(C=C1C(=O)O)Br MCULE-6023296766 [0,2,0,0,0,0|1,0,1]=4 1141 B14R1.6051 CS(=O)(=O)C1=CC=C(C=C1C(=O)O)F MCULE-5627513009 [0,2,0,0,0,0|1,0,1]=4 1142 B14R1.6060 CC1=C(C(=C(C=C1)C(=O)O)N(=O)=O)O MCULE-5014626420 [0,2,0,0,0,0|1,0,1]=4 1143 B14R1.6060 CC1=C(C(=C(C=C1)N(=O)=O)C(=O)O)Br MCULE-2015435591 [0,2,0,0,0,0|1,0,1]=4 1144 B14R1.6060 CC1=C(C(=C(C=C1)N(=O)=O)C(=O)O)C MCULE-8689175662 [0,2,0,0,0,0|1,0,1]=4 1145 B14R1.6060 CC1=C(C(=CC=C1Br)N(=O)=O)C(=O)O MCULE-8685389299 [0,2,0,0,0,0|1,0,1]=4 1146 B14R1.6060 CC1=C(C(=CC=C1Cl)N(=O)=O)C(=O)O MCULE-6493399861 [0,2,0,0,0,0|1,0,1]=4 1147 B14R1.6060 CC1=C(C(=CC=C1F)C(=O)O)N(=O)=O MCULE-8263356012 [0,2,0,0,0,0|1,0,1]=4 1148 B14R1.6060 CC1=C(C(=CC=C1F)N(=O)=O)C(=O)O MCULE-4676012062 [0,2,0,0,0,0|1,0,1]=4 1149 B14R1.6060 CC1=C(C=CC(=C1C(=O)O)N(=O)=O)N MCULE-8118149896 [0,2,0,0,0,0|1,0,1]=4 1150 B14R1.6060 CC1=CC=C(C(=C1Br)N(=O)=O)C(=O)O MCULE-7917092018 [0,2,0,0,0,0|1,0,1]=4 1151 B14R1.6060 CC1=CC=C(C(=C1C)N(=O)=O)C(=O)O MCULE-7748569101 [0,2,0,0,0,0|1,0,1]=4 1152 B14R1.6060 CC1=CC=C(C(=C1Cl)N(=O)=O)C(=O)O MCULE-8455115834 [0,2,0,0,0,0|1,0,1]=4 1153 B14R1.6060 CC1=CC=C(C(=C1N)N(=O)=O)C(=O)O MCULE-1265889519 [0,2,0,0,0,0|1,0,1]=4 1154 B14R1.6060 NC1=C(C(=C(C=C1)C(=O)O)N(=O)=O)O MCULE-1763647331 [0,2,0,0,0,0|1,0,1]=4 1155 B14R1.6060 O=C(O)C1=C(C(=C(C=C1)Br)O)N(=O)=O MCULE-6858890354 [0,2,0,0,0,0|1,0,1]=4 1156 B14R1.6060 O=C(O)C1=C(C(=C(C=C1)F)F)B(O)O MCULE-6571398070 [0,2,0,0,0,0|1,0,1]=4 1157 B14R1.6060 O=C(O)C1=C(C=CC(=C1Br)F)N(=O)=O MCULE-9413639234 [0,2,0,0,0,0|1,0,1]=4 1158 B14R1.6060 O=C(O)C1=C(C=CC(=C1Cl)F)N(=O)=O MCULE-2442334254 [0,2,0,0,0,0|1,0,1]=4 1159 B14R1.6060 O=C(O)C1=CC=C(C(=C1C(=O)O)Br)F MCULE-3234449004 [0,2,0,0,0,0|0,0,0]=2 1160 B14R1.6060 O=C(O)C1=CC=C(C(=C1C(=O)O)Cl)Cl MCULE-3153924625 [0,2,0,0,0,0|0,0,0]=2 1161 B14R1.6060 O=C(O)C1=CC=C(C(=C1C(=O)O)F)Br MCULE-4943817004 [0,2,0,0,0,0|0,0,0]=2 1162 B14R1.6060 O=C(O)C1=CC=C(C(=C1N(=O)=O)O)Cl MCULE-9717712317 [0,2,0,0,0,0|1,0,1]=4 1163 B14R1.878 CCC1=CC=CC(=C1N(=O)=O)C(=O)O MCULE-8109694176 [0,2,0,0,0,0|1,0,1]=4 1164 B14R1.878 CNC1=C(C(=CC=C1)C(=O)O)N(=O)=O MCULE-1768773930 [0,2,0,0,0,0|1,0,1]=4 1165 B14R1.878 CNC1=CC=CC(=C1C(=O)O)N(=O)=O MCULE-4709380716 [0,2,0,0,0,0|1,0,1]=4 1166 B14R1.878 COC1=C(C(=CC=C1)C(=O)O)C(=O)O MCULE-9419567098 [0,2,0,0,0,0|0,0,0]=2 1167 B14R1.878 COC1=CC=CC(=C1C(=O)O)B(O)O MCULE-7744249808 [0,2,0,0,0,0|1,0,1]=4 1168 B14R1.878 COC1=CC=CC(=C1C(=O)O)N(=O)=O MCULE-1863473816 [0,2,0,0,0,0|1,0,1]=4 1169 B14R1.878 COC1=CC=CC(=C1N(=O)=O)C(=O)O MCULE-9349592372 [0,2,0,0,0,0|1,0,1]=4 1170 B14R1.878 CSC1=C(C(=CC=C1)C(=O)O)N(=O)=O MCULE-6934520565 [0,2,0,0,0,0|1,0,1]=4 1171 B14R1.878 O=CC1=C(C(=CC=C1)C(=O)O)N(=O)=O MCULE-8558723828 [0,2,0,0,0,0|1,0,1]=4 1172 B14R1.1153 COC(=O)C1=C(C(=CC=C1)Br)C(=O)O MCULE-5025284814 [0,2,0,0,0,0|0,0,0]=2 1173 B14R1.1153 COC(=O)C1=C(C(=CC=C1)C)N(=O)=O MCULE-6974191775 [0,2,0,0,0,0|1,0,1]=4 1174 B14R1.1153 COC(=O)C1=C(C(=CC=C1)Cl)C(=O)O MCULE-7057490898 [0,2,0,0,0,0|0,0,0]=2 1175 B14R1.1153 COC(=O)C1=C(C(=CC=C1)F)N(=O)=O MCULE-4427387424 [0,2,0,0,0,0|1,0,1]=4 1176 B14R1.1153 COC(=O)C1=C(C(=CC=C1)N)C(=O)O MCULE-3583632522 [0,2,0,0,0,0|0,0,0]=2 1177 B14R1.1153 COC(=O)C1=C(C(=CC=C1)N)C(=O)O MCULE-9681757906 [0,2,0,0,0,0|0,0,0]=2 1178 B14R1.1153 COC(=O)C1=C(C(=CC=C1)O)N(=O)=O MCULE-4454152693 [0,2,0,0,0,0|1,0,1]=4 1179 B14R1.1153 COC(=O)C1=CC=CC(=C1N(=O)=O)Br MCULE-3113949244 [0,2,0,0,0,0|1,0,1]=4 1180 B14R1.1153 COC(=O)C1=CC=CC(=C1N(=O)=O)Cl MCULE-1237624586 [0,2,0,0,0,0|1,0,1]=4 1181 B14R1.1153 COC(=O)C1=CC=CC(=C1N(=O)=O)N MCULE-5185766797 [0,2,0,0,0,0|1,0,1]=4 1182 B14R1.1164 COC(=O)C1=C(C=CC=C1B(O)O)F MCULE-7690401824 [0,2,0,0,0,0|1,0,1]=4 1183 B14R1.1164 COC(=O)C1=C(C=CC=C1Br)N(=O)=O MCULE-1829683313 [0,2,0,0,0,0|1,0,1]=4 1184 B14R1.1164 COC(=O)C1=C(C=CC=C1C(=O)O)Br MCULE-8066597067 [0,2,0,0,0,0|0,0,0]=2 1185 B14R1.1164 COC(=O)C1=C(C=CC=C1C(=O)O)Cl MCULE-9828733314 [0,2,0,0,0,0|0,0,0]=2 1186 B14R1.1164 COC(=O)C1=C(C=CC=C1C(=O)O)I MCULE-4414187027 [0,2,0,0,0,0|0,0,0]=2 1187 B14R1.1164 COC(=O)C1=C(C=CC=C1C)B(O)O MCULE-4360043844 [0,2,0,0,0,0|1,0,1]=4 1188 B14R1.1164 COC(=O)C1=C(C=CC=C1N(=O)=O)C MCULE-6604436822 [0,2,0,0,0,0|1,0,1]=4 1189 B14R1.1164 COC(=O)C1=C(C=CC=C1N(=O)=O)Cl MCULE-1358385999 [0,2,0,0,0,0|1,0,1]=4 1190 B14R1.1164 COC(=O)C1=C(C=CC=C1N(=O)=O)F MCULE-1316572618 [0,2,0,0,0,0|1,0,1]=4 1191 B14R1.1164 COC(=O)C1=C(C=CC=C1N)C(=O)O MCULE-2229864990 [0,2,0,0,0,0|0,0,0]=2 1192 B14R1.1164 COC(=O)C1=C(C=CC=C1N)C(=O)O MCULE-2470029965 [0,2,0,0,0,0|0,0,0]=2 1193 B14R1.1164 COC(=O)C1=C(C=CC=C1N)N(=O)=O MCULE-6792716159 [0,2,0,0,0,0|1,0,1]=4 1194 B14R1.1164 COC(=O)C1=C(C=CC=C1O)N(=O)=O MCULE-9859855345 [0,2,0,0,0,0|1,0,1]=4 1195 B14R1.1164 COC(=O)C1=C(C=NC=C1C(=O)O)O MCULE-6950736657 [0,2,0,0,0,0|1,0,0]=3 1196 B14R1.5957 CS(=O)(=O)C1=C(C(=CC=C1)Cl)C(=O)O MCULE-7161243820 [0,2,0,0,0,0|1,0,1]=4 1197 B14R1.6046 CC(=O)C1=C(C=CC(=C1C(=O)O)F)F MCULE-5048041249 [0,2,0,0,0,0|1,0,0]=3 1198 B14R1.6046 CC1=C(C(=C(C=C1)Cl)N(=O)=O)C(=O)O MCULE-7307524044 [0,2,0,0,0,0|1,0,1]=4 1199 B14R1.6046 O=C(O)C1=C(C(=CC=C1F)Br)B(O)O MCULE-1902261542 [0,2,0,0,0,0|1,0,1]=4 1200 B14R1.6046 O=C(O)C1=C(C(=CC=C1F)Cl)N(=O)=O MCULE-1293497749 [0,2,0,0,0,0|1,0,1]=4 1201 B14R1.6046 O=C(O)C1=C(C(=CC=C1O)O)C(=O)O MCULE-9084723627 [0,2,0,0,0,0|0,0,0]=2 1202 B14R1.6046 O=C(O)C1=C(C=CC(=C1C(=O)O)Br)F MCULE-9156345120 [0,2,0,0,0,0|0,0,0]=2 1203 B14R1.6046 O=C(O)C1=C(C=CC(=C1C(=O)O)Cl)Cl MCULE-5648044594 [0,2,0,0,0,0|0,0,0]=2 1204 B14R1.6046 O=C(O)C1=C(C=CC(=C1C(=O)O)F)F MCULE-8459020234 [0,2,0,0,0,0|0,0,0]=2 1205 B14R1.6046 O=C(O)C1=C(C=CC(=C1N(=O)=O)F)Br MCULE-3978749157 [0,2,0,0,0,0|1,0,1]=4 1206 B14R1.317 CCS(=O)(=O)C1=C(C=CC=C1)C(=O)O MCULE-3108831573 [0,2,0,0,0,0|1,0,1]=4 1207 B14R1.317 CN=S(=O)(C)C1=C(C=CC=C1)C(=O)O MCULE-2809562440 [0,2,0,0,0,0|2,0,0]=4 1208 B14R1.317 CNS(=O)(=O)C1=C(C=CC=C1)C(=O)O MCULE-9790482200 [0,2,0,0,0,0|1,0,1]=4 1209 B14R1.745 COC(=O)C1=C(C=CC=C1)P(=O)(C)C MCULE-8708599856 [0,2,0,0,0,0|2,0,0]=4 1210 B14R1.745 COC(=O)C1=C(C=CC=C1)S(=O)(=O)C MCULE-7344804981 [0,2,0,0,0,0|1,0,1]=4 1211 B14R1.745 COC(=O)C1=C(C=CC=C1)S(=O)(=O)Cl MCULE-8872318461 [0,2,0,0,0,0|1,0,1]=4 1212 B14R1.745 COC(=O)C1=C(C=CC=C1)S(=O)(=O)F MCULE-2602185075 [0,2,0,0,0,0|1,0,1]=4 1213 B14R1.745 COC(=O)C1=C(C=CC=C1)S(=O)(=O)N MCULE-1940118185 [0,2,0,0,0,0|1,0,1]=4 1214 B14R1.745 COC(=O)C1=CC=CC=C1S(=O)(=O)O MCULE-2483846056 [0,2,0,0,0,0|1,0,0]=3 1215 B14R1.3336 O=S(=O)(O)C1=C(C=CC=C1)S(=O)(=O)O MCULE-7957918978 [0,2,0,0,0,0|2,0,0]=4 1216 B14R1.405 O=CC(=CO)C1=C(C=CC=C1)[N+](=O)[O-] MCULE-1667663839 [0,2,0,0,0,0|1,0,1]=4 1217 B14R1.623 CCOC(=O)C1=C(C=CC=C1)B(O)O MCULE-6650809761 [0,2,0,0,0,0|1,0,1]=4 1218 B14R1.623 CCOC(=O)C1=C(C=CC=C1)C(=O)C MCULE-7822545927 [0,2,0,0,0,0|1,0,0]=3 1219 B14R1.623 CCOC(=O)C1=C(C=CC=C1)N(=O)=O MCULE-8877877433 [0,2,0,0,0,0|1,0,1]=4 1220 B14R1.623 CCOC(=O)C1=C(N=CC=C1)C(=O)C MCULE-3374145269 [0,2,0,0,0,0|2,0,0]=4 1221 B14R1.623 CCOC(=O)C1=CC=CN=C1C(=O)O MCULE-1420682383 [0,2,0,0,0,0|1,0,0]=3 1222 B14R1.623 N[C@@H](CCO)C1=CC=CC=C1C(=O)O MCULE-2964614242 [0,2,0,0,0,0|1,0,1]=4 1223 B14R1.623 N[C@@H](CCO)C1=CC=CC=C1C(=O)O MCULE-6981692938 [0,2,0,0,0,0|1,0,1]=4 1224 B14R1.623 N[C@H](CCO)C1=CC=CC=C1C(=O)O MCULE-5600559750 [0,2,0,0,0,0|1,0,1]=4 1225 B14R1.623 N[C@H](CCO)C1=CC=CC=C1C(=O)O MCULE-8456943868 [0,2,0,0,0,0|1,0,1]=4 1226 B14R1.623 O=C(O)C1=CC=CC=C1S(=O)CCO MCULE-2177222526 [0,2,0,0,0,0|1,0,0]=3 1227 B14R1.623 O=CNC(=O)C1=CC=CC=C1C(=O)O MCULE-8045595064 [0,2,0,0,0,0|0,0,1]=3 1228 B14R1.746 CCC(=O)C1=CC=CC=C1C(=O)OC MCULE-7498309002 [0,2,0,0,0,0|1,0,0]=3 1229 B14R1.746 CNC(=O)C1=CC=CC=C1C(=O)NC MCULE-2052307811 [0,2,0,0,0,0|2,0,0]=4 1230 B14R1.746 COC(=N)C1=CC=CC=C1C(=O)OC MCULE-3771652840 [0,2,0,0,0,0|1,0,0]=3 1231 B14R1.746 COC(=N)C1=CC=CC=C1C(=O)OC MCULE-3987350033 [0,2,0,0,0,0|1,0,0]=3 1232 B14R1.746 COC(=O)C1=C(C=CC=C1)C(=O)OC MCULE-5213082728 [0,2,0,0,0,0|0,0,0]=2 1233 B14R1.746 COC(=O)C1=C(C=CC=C1)[C@@H](N)CO MCULE-6272476660 [0,2,0,0,0,0|1,0,1]=4 1234 B14R1.746 COC(=O)C1=C(C=CC=C1)[C@@H](N)CO MCULE-7377972831 [0,2,0,0,0,0|1,0,1]=4 1235 B14R1.746 COC(=O)C1=C(C=CC=C1)[C@H](N)CO MCULE-4553593953 [0,2,0,0,0,0|1,0,1]=4 1236 B14R1.746 COC(=O)C1=C(C=CC=C1)[C@H](N)CO MCULE-7607918725 [0,2,0,0,0,0|1,0,1]=4 1237 B14R1.746 COC(=O)C1=C(C=NC=C1)C(=O)OC MCULE-4706513864 [0,2,0,0,0,0|1,0,0]=3 1238 B14R1.746 COC(=O)C1=C(C=NC=C1)C(=O)OC MCULE-7984782894 [0,2,0,0,0,0|1,0,0]=3 1239 B14R1.746 COC(=O)C1=C(CC=CC1)C(=O)OC MCULE-9708384047 [0,2,0,0,0,0|0,0,2]=4 1240 B14R1.746 COC(=O)C1=C(N=CC=C1)C(=O)OC MCULE-1032296924 [0,2,0,0,0,0|1,0,0]=3 1241 B14R1.746 COC(=O)C1=C(N=CC=N1)C(=O)OC MCULE-9162181231 [0,2,0,0,0,0|2,0,0]=4 1242 B14R1.746 N/C(=N\O)/C1=C(C=CC=C1)/C(=N\O)/N MCULE-6969141214 [0,2,0,0,0,0|2,0,0]=4 1243 B12R1.226 CC(=O)C=CC1=CC(=CC=C1)O MCULE-9256997153 [0,0,1,1,0,0|2,0,0]=4 1244 B12R1.226 CC1=CC=CC(=C1)/C=C/C(=O)O MCULE-8374932634 [0,0,1,1,0,0|2,0,0]=4 1245 B12R1.226 CC1=CC=CC(=C1)C=CC(=O)O MCULE-3959203742 [0,0,1,1,0,0|2,0,0]=4 1246 B12R1.226 CC1=CC=CC(=N1)/C=C/C(=O)O MCULE-2040763678 [0,0,1,1,0,0|2,0,0]=4 1247 B12R1.226 CC1=CC=CC(=N1)/C=C\C(=O)O MCULE-4639232836 [0,0,1,1,0,0|2,0,0]=4 1248 B12R1.226 CC1=CC=CC(=N1)C=CC(=O)O MCULE-6333063225 [0,0,1,1,0,0|2,0,0]=4 1249 B12R1.226 NC1=CC(=CC=C1)/C=C/C(=O)O MCULE-7167283449 [0,0,1,1,0,0|2,0,0]=4 1250 B12R1.226 NC1=CC(=CC=C1)C=CC(=O)O MCULE-5453082320 [0,0,1,1,0,0|2,0,0]=4 1251 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)Cl MCULE-1720842356 [0,0,1,1,0,0|2,0,0]=4 1252 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)F MCULE-2603258292 [0,0,1,1,0,0|2,0,0]=4 1253 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)I MCULE-9847298098 [0,0,1,1,0,0|2,0,0]=4 1254 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)O MCULE-5006038728 [0,0,1,1,0,0|1,0,0]=3 1255 B12R1.226 O=C(O)/C=C/C1=CC=CC(=C1)Br MCULE-4180809927 [0,0,1,1,0,0|2,0,0]=4 1256 B12R1.226 O=C(O)C=CC1=CC(=CC=C1)Cl MCULE-5483586899 [0,0,1,1,0,0|2,0,0]=4 1257 B12R1.226 O=C(O)C=CC1=CC(=CC=C1)I MCULE-7006843197 [0,0,1,1,0,0|2,0,0]=4 1258 B12R1.226 O=C(O)C=CC1=CC(=CC=C1)O MCULE-2569094851 [0,0,1,1,0,0|1,0,0]=3 1259 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)Br MCULE-1630202729 [0,0,1,1,0,0|2,0,0]=4 1260 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)F MCULE-6918071243 [0,0,1,1,0,0|2,0,0]=4 1261 B12R1.226 O=C(O)C=CC1=CC=CC(=N1)Br MCULE-2180401449 [0,0,1,1,0,0|2,0,0]=4 1262 B12R1.392 O=C(O)CC1=C(C=CN1)C(=O)O MCULE-9003066322 [0,0,1,1,0,0|1,0,1]=4 1263 B12R1.392 O=C(O)CC1=C(C=CO1)C(=O)O MCULE-9284526321 [0,0,1,1,0,0|1,0,1]=4 1264 B12R1.392 O=C(O)CC1=C(C=CS1)C(=O)O MCULE-1909301782 [0,0,1,1,0,0|1,0,1]=4 1265 B12R1.392 O=C(O)CC1=CSC=C1C(=O)O MCULE-3804686012 [0,0,1,1,0,0|1,0,1]=4 1266 B12R1.124 O=C(O)C(=O)C1=CC=CN=C1O MCULE-5922854073 [0,0,1,1,0,0|2,0,0]=4 1267 B12R1.11 C=CC1=CC(=CC(=C1)C(=O)O)Cl MCULE-1620329480 [0,0,1,1,0,0|2,0,0]=4 1268 B12R2.1081 O=C1CC=CC2=C1C=CC=C2 MCULE-2736945449 [1,0,0,1,0,0|2,0,0]=4 1269 B12R2.1081 O=C1COCC2=C1C=CC=C2 MCULE-7243952851 [1,0,0,1,0,0|1,0,1]=4 1270 B12R2.1081 O=C1NC=CC2=C1C=CC=C2 MCULE-2157646477 [1,0,0,1,0,0|2,0,0]=4 1271 B12R2.1081 O=C1NN=CC2=C1C=CC=C2 MCULE-6184387915 [1,0,0,1,0,0|2,0,0]=4 1272 B12R2.1081 O=C1OC=CC2=C1C=CC=C2 MCULE-7136669271 [1,0,0,1,0,0|1,0,0]=3 1273 B12R2.1081 O=C1OC=NC2=CC=CC=C12 MCULE-2471464984 [1,0,0,1,0,0|2,0,0]=4 1274 B12R2.1081 O=C1OCCC2=CC=CC=C12 MCULE-7728820052 [1,0,0,1,0,0|1,0,1]=4 1275 B12R2.1081 OC1=C2C=CC=CC2=CC=C1 MCULE-2825050946 [1,0,0,1,0,0|2,0,0]=4 1276 B12R2.1081 OC1=CN=CC2=C1C=CC=C2 MCULE-5668414329 [1,0,0,1,0,0|2,0,0]=4 1277 B12R2.1081 OC1=CN=CC2=CC=CC=C12 MCULE-2707392219 [1,0,0,1,0,0|2,0,0]=4 1278 B12R2.2028 C=C1NC(=O)C2=C1C=CC=C2 MCULE-4826251840 [1,0,0,1,0,0|2,0,0]=4 1279 B12R2.2028 C=C1OC(=O)C2=C1C=CC=C2 MCULE-8960578123 [1,0,0,1,0,0|1,0,0]=3 1280 B12R2.2028 CC1OC(=O)C2=CC=CC=C12 MCULE-1928411649 [1,0,0,1,0,0|1,0,1]=4 1281 B12R2.2028 NC1=NC(=O)C2=C1C=CC=C2 MCULE-6329877145 [1,0,0,1,0,0|2,0,0]=4 1282 B12R2.2028 O=C1C=C(C2=C1C=CC=C2)Br MCULE-4869165320 [1,0,0,1,0,0|2,0,0]=4 1283 B12R2.2028 O=C1CC(=O)C2=CC=CC=C12 MCULE-5655100749 [1,0,0,1,0,0|1,0,0]=3 1284 B12R2.2028 O=C1CC(C2=C1C=CC=C2)O MCULE-5369167478 [1,0,0,1,0,0|1,0,1]=4 1285 B12R2.2028 O=C1N=C(C2=CC=CC=C12)[O-] MCULE-2477457820 [1,0,0,1,0,0|1,0,1]=4 1286 B12R2.2028 O=C1NC(=O)C2=C1C=CC=C2 MCULE-2271536382 [1,0,0,1,0,0|1,0,0]=3 1287 B12R2.2028 O=C1NC(=O)C2=C1C=CC=N2 MCULE-2343377944 [1,0,0,1,0,0|2,0,0]=4 1288 B12R2.2028 O=C1NC(=O)C2=C1C=CN=C2 MCULE-3213056740 [1,0,0,1,0,0|2,0,0]=4 1289 B12R2.2028 O=C1OC(=O)C2=C1C=CC=N2 MCULE-6497550013 [1,0,0,1,0,0|1,0,0]=3 1290 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 MCULE-5260748273 [1,0,0,1,0,0|0,0,0]=2 1291 B12R2.2028 O=C1OC(=O)C2=CN=CC=C12 MCULE-3862451247 [1,0,0,1,0,0|1,0,0]=3 1292 B12R2.2028 O=C1OC(=O)C2=NC=CN=C12 MCULE-4569392072 [1,0,0,1,0,0|2,0,0]=4 1293 B12R2.2028 O=C1OC(=O)C2C1C=CC=C2 MCULE-2290582468 [1,0,0,1,0,0|0,0,2]=4 1294 B12R2.2028 O=C1OC(C2=C1C=CC=C2)Br MCULE-1893086762 [1,0,0,1,0,0|1,0,1]=4 1295 B12R2.2028 O=C1OC(C2=C1C=CC=C2)O MCULE-2316305945 [1,0,0,1,0,0|0,0,1]=3 1296 B12R2.2028 O=C1OC(C2=CC=CC=C12)Cl MCULE-1671207791 [1,0,0,1,0,0|1,0,1]=4 1297 B12R2.2028 O=C1O[IH2](C2=C1C=CC=C2)Cl MCULE-4157967312 [1,0,0,1,0,0|2,0,0]=4 1298 B12R2.2028 O=C1O[IH2](C2=CC=CC=C12)O MCULE-5405765075 [1,0,0,1,0,0|1,0,0]=3 1299 B12R2.2028 O=C1SC(=O)C2=CC=CC=C12 MCULE-9972581691 [1,0,0,1,0,0|0,1,0]=3 1300 B12R2.2028 O=C1[N-]C(=O)C2=C1C=CC=C2 MCULE-5631553583 [1,0,0,1,0,0|1,0,0]=3 1301 B14R2.287 CC1=COC(=O)C2=CC=CC=C2N1 MCULE-2042168693 [0,0,0,1,0,1|2,0,0]=4 1302 B14R2.287 O=C1CCC(=O)C2=C(N1)C=CC=C2 MCULE-3074037494 [0,0,0,1,0,1|2,0,0]=4 1303 B14R2.287 O=C1CNC(=O)C2=C(N1)C=CC=C2 MCULE-1893626067 [0,0,0,1,0,1|2,0,0]=4 1304 B14R2.712 CC(=O)C1=C2NC(=O)OC2=CC=C1 MCULE-5569761263 [0,0,0,1,0,1|1,0,0]=3 1305 B14R2.712 CC1=CC2=C(N1)C(=CC=C2)C(=O)O MCULE-2602868528 [0,0,0,1,0,1|2,0,0]=4 1306 B14R2.712 CC1=CC2=C(N1)C=CC=C2C(=O)O MCULE-4344442501 [0,0,0,1,0,1|2,0,0]=4 1307 B14R2.712 CC1=CC2=C(O1)C(=CC=C2)C(=O)O MCULE-3787156673 [0,0,0,1,0,1|2,0,0]=4 1308 B14R2.712 CC1=CC2=C(O1)C=CC=C2C(=O)O MCULE-6705402591 [0,0,0,1,0,1|1,0,0]=3 1309 B14R2.712 CC1=NC2=C(C=CC=C2S1)C(=O)O MCULE-9668181478 [0,0,0,1,0,1|1,1,0]=4 1310 B14R2.712 CC1=NC2=C(N1)C=CC=C2C(=O)O MCULE-4311974848 [0,0,0,1,0,1|2,0,0]=4 1311 B14R2.712 CC1=NC2=C(O1)C(=CC=C2)C(=O)O MCULE-9661991745 [0,0,0,1,0,1|2,0,0]=4 1312 B14R2.712 CC1=NC2=C(O1)C=CC=C2C(=O)O MCULE-2448984783 [0,0,0,1,0,1|1,0,0]=3 1313 B14R2.712 CC1=NC2=CC=CC(=C2S1)C(=O)O MCULE-7411621084 [0,0,0,1,0,1|2,0,0]=4 1314 B14R2.712 NC1=NC2=C(C=CC=C2O1)C(=O)O MCULE-1436545805 [0,0,0,1,0,1|1,0,0]=3 1315 B14R2.712 NC1=NC2=C(N1)C=CC=C2C(=O)O MCULE-7894712940 [0,0,0,1,0,1|2,0,0]=4 1316 B14R2.712 NC1=NC2=C(O1)C(=CC=C2)C(=O)O MCULE-4647038423 [0,0,0,1,0,1|2,0,0]=4 1317 B14R2.712 NC1=NC2=C(S1)C(=CC=C2)C(=O)O MCULE-7578218706 [0,0,0,1,0,1|2,0,0]=4 1318 B14R2.712 NC1=NC2=C(S1)C=CC=C2C(=O)O MCULE-5612037430 [0,0,0,1,0,1|1,1,0]=4 1319 B14R2.712 NC1=NC2=C(S1)C=CC=C2C(=O)O MCULE-9803667175 [0,0,0,1,0,1|1,1,0]=4 1320 B14R2.712 O=C(O)C1=C2N=C(NC2=CC=C1)S MCULE-2047049870 [0,0,0,1,0,1|1,1,0]=4 1321 B14R2.712 O=C(O)C1=C2N=C(NC2=NC=C1)O MCULE-1780415530 [0,0,0,1,0,1|2,0,0]=4 1322 B14R2.712 O=C(O)C1=C2SC(=NC2=CC=C1)Cl MCULE-2799605832 [0,0,0,1,0,1|2,0,0]=4 1323 B14R2.712 O=C(O)C1=CC=CC2=NC(=CN12)O MCULE-3364272591 [0,0,0,1,0,1|2,0,0]=4 1324 B14R2.712 O=C1C=C2C=CC=C(C2=N1)C(=O)O MCULE-8393292159 [0,0,0,1,0,1|1,0,0]=3 1325 B14R2.712 O=C1CC2=C(C=CC=C2O1)C(=O)O MCULE-9681418756 [0,0,0,1,0,1|0,0,0]=2 1326 B14R2.712 O=C1CC2=C(C=CN=C2N1)C(=O)O MCULE-4589053896 [0,0,0,1,0,1|2,0,0]=4 1327 B14R2.712 O=C1CC2=C(N1)C(=CC=C2)C(=O)O MCULE-2056077379 [0,0,0,1,0,1|1,0,0]=3 1328 B14R2.712 O=C1CC2=C(N1)C(=NC=C2)C(=O)O MCULE-6022098217 [0,0,0,1,0,1|2,0,0]=4 1329 B14R2.712 O=C1CC2=C(N1)C=CC=C2C(=O)O MCULE-8443978622 [0,0,0,1,0,1|1,0,0]=3 1330 B14R2.712 O=C1CC2=C(N1)C=NC=C2C(=O)O MCULE-4140123928 [0,0,0,1,0,1|2,0,0]=4 1331 B14R2.712 O=C1NC2=C(C=CC=C2O1)C(=O)O MCULE-7054850283 [0,0,0,1,0,1|0,0,0]=2 1332 B14R2.712 O=C1NC2=C(C=CC=C2O1)N(=O)=O MCULE-2916411942 [0,0,0,1,0,1|1,0,1]=4 1333 B14R2.712 O=C1NC2=CC=CC(=C2N1)C(=O)O MCULE-2460476872 [0,0,0,1,0,1|1,0,0]=3 1334 B14R2.25733 CC(=O)N1C=C(C2=C1C=CC=C2)O MCULE-3285121793 [0,0,0,1,0,1|2,0,0]=4 1335 B14R2.25733 CC(=O)N1CC(=O)C2=C1C=CC=C2 MCULE-5218048074 [0,0,0,1,0,1|2,0,0]=4 1336 B14R2.25733 O=C(O)C1CC(C2=C1C=CC=C2)O MCULE-4366292681 [0,0,0,1,0,1|1,0,1]=4 1337 B14R2.25733 O=C1CC(C2=C1C=CC=C2)C(=O)O MCULE-1060322815 [0,0,0,1,0,1|1,0,0]=3 1338 B14R2.25733 O=C1NC(C2=CC=CC=C12)C(=O)O MCULE-4829942440 [0,0,0,1,0,1|1,0,0]=3 1339 B14R2.25733 O=C1OC(C2=CC=CC=C12)C(=O)O MCULE-1282001061 [0,0,0,1,0,1|0,0,0]=2 1340 B14R2.29496 O=C1OP(=O)(OC2=CC=CC=C12)Cl MCULE-9148809129 [0,0,0,1,0,1|2,0,0]=4 1341 B14R2.8751 CC1=CC=C2C(=O)C=CC(=O)C2=C1 MCULE-1740974074 [0,1,0,1,0,0|2,0,0]=4 1342 B14R2.8751 CC1=NOC(=O)C2=C1C=C(C=C2)N MCULE-5471635607 [0,1,0,1,0,0|2,0,0]=4 1343 B14R2.8751 NC1=CC=C2C(=O)NNC(=O)C2=C1 MCULE-2082607495 [0,1,0,1,0,0|2,0,0]=4 1344 B14R2.8751 O=C1N=NC(=O)C2=C1C=CC(=C2)Br MCULE-7919214254 [0,1,0,1,0,0|2,0,0]=4 1345 B14R2.8751 OC1=NN=C(C2=C1C=CC(=C2)Br)O MCULE-1355336275 [0,1,0,1,0,0|2,0,0]=4 1346 B14R2.8051 NC1=C2C(=O)C=CC(=O)C2=CC=C1 MCULE-2736064858 [0,1,0,1,0,0|2,0,0]=4 1347 B14R2.8051 NC1=CC=CC2=C1C(=O)NNC2=O MCULE-2863184839 [0,1,0,1,0,0|2,0,0]=4 1348 B14R2.8051 NC1=CC=CC2=C1C(=O)NNC2=O MCULE-7859112149 [0,1,0,1,0,0|2,0,0]=4 1349 B14R2.8051 NC1=CC=CC2=C1C(=O)N[N-]C2=O MCULE-4600272231 [0,1,0,1,0,0|2,0,0]=4 1350 B14R2.8051 NC1=CC=CC2=C1C(=O)N[N-]C2=O MCULE-9862852080 [0,1,0,1,0,0|2,0,0]=4 1351 B14R2.8051 O=C1C=CC(=O)C2=C1C=CC=C2O MCULE-5238429657 [0,1,0,1,0,0|2,0,0]=4 1352 B14R2.8051 O=C1NNC(=O)C2=C1C=CC=C2F MCULE-4729599985 [0,1,0,1,0,0|2,0,0]=4 1353 B14R2.24350 CC(=O)C1=CC=CC2=C1C(=O)NC2 MCULE-9235068778 [0,1,0,1,0,0|2,0,0]=4 1354 B14R2.24350 CC1=CNC2=C1C(=CC=C2)C(=O)O MCULE-6052018231 [0,1,0,1,0,0|2,0,0]=4 1355 B14R2.24350 NC(=O)C1=C2C(=O)NCC2=CC=C1 MCULE-4702893123 [0,1,0,1,0,0|2,0,0]=4 1356 B14R2.24350 NC(=O)C1=CC=CC2=C1C(=O)CC2 MCULE-5050589553 [0,1,0,1,0,0|2,0,0]=4 1357 B14R2.24350 NC1=CNC2=C1C(=CC=C2)C(=O)O MCULE-9662902230 [0,1,0,1,0,0|2,0,0]=4 1358 B14R2.24350 NC1=NNC2=C1C(=CC=C2)C(=O)O MCULE-3339230188 [0,1,0,1,0,0|2,0,0]=4 1359 B14R2.24350 NC1=NOC2=C1C(=CC=C2)C(=O)O MCULE-1758871037 [0,1,0,1,0,0|1,0,0]=3 1360 B14R2.24350 O=C(O)C1=C2B(OCC2=CC=C1)O MCULE-5974787137 [0,1,0,1,0,0|1,0,1]=4 1361 B14R2.24350 O=C(O)C1=C2C(=O)CCC2=CC=C1 MCULE-6190511905 [0,1,0,1,0,0|1,0,0]=3 1362 B14R2.24350 O=C(O)C1=C2C(=O)NCC2=CC=C1 MCULE-2266705533 [0,1,0,1,0,0|1,0,0]=3 1363 B14R2.24350 O=C(O)C1=CC=CC2=C1C(=CN2)Cl MCULE-8595290564 [0,1,0,1,0,0|2,0,0]=4 1364 B14R2.24350 O=C(O)C1=CC=CC2=C1C(=NN2)Br MCULE-1009135988 [0,1,0,1,0,0|2,0,0]=4 1365 B14R2.24350 O=C(O)C1=CC=CC2=C1C(=NN2)I MCULE-3578799423 [0,1,0,1,0,0|2,0,0]=4 1366 B14R2.24350 O=C(O)C1=CC=CC2=C1C(=O)N=C2 MCULE-2060780672 [0,1,0,1,0,0|1,0,0]=3 1367 B14R2.24350 O=C(O)C1=CC=CC2=C1C(=O)N=N2 MCULE-5844148733 [0,1,0,1,0,0|1,0,0]=3 1368 B14R2.24350 O=C(O)C1=CC=CC2=C1C(=O)NN2 MCULE-7552247363 [0,1,0,1,0,0|1,0,0]=3 1369 B14R2.24350 O=C(O)C1=CC=CC2=C1C(=O)ON2 MCULE-4749311252 [0,1,0,1,0,0|0,0,0]=2 1370 B14R2.24350 O=C(O)C1=CC=CC2=C1C(CC2)O MCULE-5666436527 [0,1,0,1,0,0|1,0,1]=4 1371 B14R2.24350 O=C1COC2=CC=CC(=C12)N(=O)=O MCULE-1289627223 [0,1,0,1,0,0|1,0,1]=4 1372 B14R2.24350 O=C1OCC2=C1C(=CC=C2)N(=O)=O MCULE-6852880544 [0,1,0,1,0,0|1,0,1]=4 1373 B14R2.30639 O=C(O)C1=C(C2C=CC1C2)C(=O)O MCULE-7592737892 [0,1,0,1,0,0|0,0,2]=4 1374 B14R2.30639 O=C(O)C1=C([C@H]2C=C[C@@H]1C2)C(=O)O MCULE-2960162567 [0,1,0,1,0,0|0,0,2]=4 1375 B14R2.1131 COC1=C2C=CC=CC2=C(C=C1)O MCULE-1993445138 [0,1,0,1,0,0|2,0,0]=4 1376 B14R2.1131 COC1=CNC(=O)C2=CC=CC=C12 MCULE-3062977985 [0,1,0,1,0,0|2,0,0]=4 1377 B14R2.1131 O=C1NN=C(C2=CC=CC=C12)CO MCULE-5122339678 [0,1,0,1,0,0|2,0,0]=4 1378 B14R2.1131 O=CC1=C2C=CC=CC2=C(C=C1)O MCULE-4077876402 [0,1,0,1,0,0|2,0,0]=4 1379 B14R2.1131 O=CC1=CNC(=O)C2=CC=CC=C12 MCULE-3552966529 [0,1,0,1,0,0|2,0,0]=4 1380 B14R2.7724 CC1=C(C2=C(C=CC=C2)C(=C1)O)O MCULE-6893231875 [0,1,0,1,0,0|2,0,0]=4 1381 B14R2.7724 CC1=CC(=O)C2=C(C1=O)C=CC=C2 MCULE-2487773379 [0,1,0,1,0,0|2,0,0]=4 1382 B14R2.7724 CC1CC(=O)C2=C(C1=O)C=CC=C2 MCULE-7335047873 [0,1,0,1,0,0|2,0,0]=4 1383 B14R2.7724 CN1C(=O)OC(=O)C2=CC=CC=C12 MCULE-9468629771 [0,1,0,1,0,0|2,0,0]=4 1384 B14R2.7724 CN1N=C(C2=C(C1=O)C=CC=C2)O MCULE-9716969514 [0,1,0,1,0,0|2,0,0]=4 1385 B14R2.7724 NC1=CC(=O)C2=C(C1=O)C=CC=C2 MCULE-5296437781 [0,1,0,1,0,0|2,0,0]=4 1386 B14R2.7724 O=C1C=C(C(=O)C2=C1C=CC=C2)Br MCULE-4076730443 [0,1,0,1,0,0|2,0,0]=4 1387 B14R2.7724 O=C1C=C(C(=O)C2=C1C=CC=C2)O MCULE-8698811000 [0,1,0,1,0,0|1,0,0]=3 1388 B14R2.7724 O=C1C=C(C(=O)C2=CC=CC=C12)Cl MCULE-8501254259 [0,1,0,1,0,0|2,0,0]=4 1389 B14R2.7724 O=C1NC(=O)C2=CC=CC=C2C1=O MCULE-7476532715 [0,1,0,1,0,0|1,0,1]=4 1390 B14R2.7724 O=C1OC(=C(C2=C1C=CC=C2)Cl)Cl MCULE-2256069116 [0,1,0,1,0,0|2,0,0]=4 1391 B14R2.17370 COC1(OC(=O)C2=CC=CC=C12)C MCULE-6523413758 [0,1,0,1,0,0|1,0,1]=4 1392 B10R0.17 O=C(O)C(=CC=CBr)C(=O)O MCULE-7337085269 [0,0,1,0,1,0|1,0,0]=3 1393 B10R1.39 C=CN1C=CC=C1C(=O)O MCULE-8632612652 [1,0,0,0,1,0|2,0,0]=4 1394 B10R1.39 O=CC1=C(C=CO1)C(=O)O MCULE-6471557174 [1,0,0,0,1,0|1,0,0]=3 1395 B10R1.39 O=CC1=C(C=CS1)C(=O)O MCULE-8929121379 [1,0,0,0,1,0|1,0,0]=3 1396 B10R1.39 O=CC1=C(NC=N1)C(=O)O MCULE-2846806296 [1,0,0,0,1,0|2,0,0]=4 1397 B10R1.39 O=CC1=C(OC=C1)C(=O)O MCULE-7997599750 [1,0,0,0,1,0|1,0,0]=3 1398 B10R1.39 O=CC1=C(SC=C1)C(=O)O MCULE-6585330865 [1,0,0,0,1,0|1,0,0]=3 1399 B10R1.39 O=CC1=CNN=C1C(=O)O MCULE-9816954326 [1,0,0,0,1,0|2,0,0]=4 1400 B10R1.39 O=CC1=CSC=C1C(=O)O MCULE-6099035678 [1,0,0,0,1,0|1,0,0]=3 1401 B12R1.75 C#CC1=C(C=CC=C1)CC(=O)O MCULE-8491278134 [1,0,0,0,0,1|1,0,1]=4 1402 B12R1.75 C=CC1=C(C=CC=C1)OC(=O)C MCULE-2315461667 [1,0,0,0,0,1|2,0,0]=4 1403 B12R1.75 CC(=O)NC1=C(C=CC=C1)C=O MCULE-1063993291 [1,0,0,0,0,1|1,0,0]=3 1404 B12R1.75 CC(=O)NC1=C(C=CN=C1)C=O MCULE-7081830584 [1,0,0,0,0,1|2,0,0]=4 1405 B12R1.75 CC(=O)NC1=CC=CC=C1CO MCULE-5211619769 [1,0,0,0,0,1|1,0,1]=4 1406 B12R1.75 CC(=O)NC1=NC=CC=C1C=O MCULE-6023101811 [1,0,0,0,0,1|2,0,0]=4 1407 B12R1.75 CC(=O)OC1=C(C=CC=C1)C=O MCULE-3586473282 [1,0,0,0,0,1|1,0,0]=3 1408 B12R1.75 CC(=O)OC1=CC=CC=C1CO MCULE-2658477526 [1,0,0,0,0,1|1,0,1]=4 1409 B12R1.75 CCC1=C(C=CC=C1)CC(=O)O MCULE-2452435801 [1,0,0,0,0,1|1,0,1]=4 1410 B12R1.75 CNC1=CC=CC=C1CC(=O)O MCULE-1576819013 [1,0,0,0,0,1|2,0,0]=4 1411 B12R1.75 COC1=CC=CC=C1CC(=O)O MCULE-2213361181 [1,0,0,0,0,1|2,0,0]=4 1412 B12R1.75 CSC1=CC=CC=C1CC(=O)O MCULE-6905383494 [1,0,0,0,0,1|2,0,0]=4 1413 B12R1.75 N#CC1=CC=CC=C1CC(=O)O MCULE-6996028199 [1,0,0,0,0,1|1,0,1]=4 1414 B12R1.75 NCC1=C(C=CC=C1)CC(=O)O MCULE-7676531177 [1,0,0,0,0,1|1,0,1]=4 1415 B12R1.75 NCC1=CC=CC=C1CC(=O)O MCULE-1817328941 [1,0,0,0,0,1|1,0,1]=4 1416 B12R1.75 O=C(O)CC1=C(C=CC=C1)CS MCULE-6405990247 [1,0,0,0,0,1|0,1,1]=4 1417 B12R1.75 O=C(O)CC1=CC=CC=C1CBr MCULE-2596590708 [1,0,0,0,0,1|1,0,1]=4 1418 B12R1.75 O=C(O)CC1=CC=CC=C1CCl MCULE-7452970310 [1,0,0,0,0,1|1,0,1]=4 1419 B12R1.75 O=C(O)CC1=CC=CC=C1CO MCULE-2342564386 [1,0,0,0,0,1|0,0,1]=3 1420 B12R1.75 O=C([O-])CC1=C(C=CC=C1)CO MCULE-2005664560 [1,0,0,0,0,1|0,0,2]=4 1421 B12R1.75 O=CC1=CC=CC=C1CC(=O)O MCULE-8210254084 [1,0,0,0,0,1|0,0,0]=2 1422 B12R1.258 CC(=O)C1=CC(=CN=C1)C(=O)O MCULE-5398573933 [0,0,0,0,1,1|2,0,0]=4 1423 B12R1.258 CC(=O)C1=CC(=NC=C1)C(=O)O MCULE-5140186933 [0,0,0,0,1,1|2,0,0]=4 1424 B12R1.258 CC(=O)C1=CC=CC(=C1)C(=O)C MCULE-3792336330 [0,0,0,0,1,1|2,0,0]=4 1425 B12R1.258 CC(=O)C1=CC=CC(=C1)C(=O)Cl MCULE-7698235080 [0,0,0,0,1,1|2,0,0]=4 1426 B12R1.258 CC(=O)C1=CC=CC(=C1)C(=O)O MCULE-7817168085 [0,0,0,0,1,1|1,0,0]=3 1427 B12R1.258 CC(=O)C1=CC=CC(=N1)C(=O)C MCULE-9121297035 [0,0,0,0,1,1|2,0,0]=4 1428 B12R1.258 CC(=O)C1=CC=CC(=N1)C(=O)O MCULE-2956010852 [0,0,0,0,1,1|1,0,0]=3 1429 B12R1.258 CC(O)C1=CC(=CC=C1)C(=O)O MCULE-5550293922 [0,0,0,0,1,1|1,0,1]=4 1430 B12R1.258 CS(=O)C1=CC(=CC=C1)C(=O)O MCULE-6126341449 [0,0,0,0,1,1|2,0,0]=4 1431 B12R1.258 N=C(N)C1=CC=CC(=C1)C(=O)O MCULE-1865331482 [0,0,0,0,1,1|2,0,0]=4 1432 B12R1.258 N=C(N)C1=CC=CC(=C1)C(=O)O MCULE-6303024252 [0,0,0,0,1,1|2,0,0]=4 1433 B12R1.258 NC(=O)C1=CC(=CC=C1)C(=O)O MCULE-4538252947 [0,0,0,0,1,1|1,0,0]=3 1434 B12R1.258 NC(=O)C1=CC(=CN=C1)C(=O)O MCULE-1426913150 [0,0,0,0,1,1|2,0,0]=4 1435 B12R1.258 NC(=O)C1=CC(=NC=C1)C(=O)O MCULE-8548833994 [0,0,0,0,1,1|2,0,0]=4 1436 B12R1.258 NC(=O)C1=CC=CC(=C1)C(=O)N MCULE-8341095175 [0,0,0,0,1,1|2,0,0]=4 1437 B12R1.258 NC(=O)C1=CC=CC(=N1)C(=O)N MCULE-9177417596 [0,0,0,0,1,1|2,0,0]=4 1438 B12R1.258 NC(=O)C1=NC(=CC=C1)C(=O)O MCULE-9089970259 [0,0,0,0,1,1|1,0,0]=3 1439 B12R1.258 NC(=O)C1=NC=CC(=C1)C(=O)O MCULE-9674234146 [0,0,0,0,1,1|2,0,0]=4 1440 B12R1.258 NC(=S)C1=CC(=CC=C1)C(=O)O MCULE-2973781485 [0,0,0,0,1,1|1,1,0]=4 1441 B12R1.258 O=C(Cl)C1=CC=CC(=C1)C(=O)Cl MCULE-7397251430 [0,0,0,0,1,1|2,0,0]=4 1442 B12R1.258 O=C(Cl)C1=CC=CC(=N1)C(=O)Cl MCULE-3091772531 [0,0,0,0,1,1|2,0,0]=4 1443 B12R1.258 O=C(O)C1=CC(=CC=C1)N(=O)=O MCULE-6150173112 [0,0,0,0,1,1|1,0,1]=4 1444 B12R1.258 O=C(O)C1=CC(=CC=C1)S(=O)O MCULE-2985390716 [0,0,0,0,1,1|1,0,0]=3 1445 B12R1.258 O=C(O)C1=CC(=NC=N1)C(=O)O MCULE-5704979292 [0,0,0,0,1,1|2,0,0]=4 1446 B12R1.258 O=C(O)C1=CC=CC(=C1)B(O)O MCULE-9530773126 [0,0,0,0,1,1|1,0,1]=4 1447 B12R1.258 O=C(O)C1=CC=CC(=C1)C(=O)O MCULE-2481502954 [0,0,0,0,1,1|0,0,0]=2 1448 B12R1.258 O=C(O)C1=CC=CC(=N1)C(=O)O MCULE-1484050836 [0,0,0,0,1,1|0,0,0]=2 1449 B12R1.258 O=C(O)C1=CC=CC(=N1)C(=O)O MCULE-5637859455 [0,0,0,0,1,1|0,0,0]=2 1450 B12R1.258 O=C(O)C1=CC=NC(=C1)C(=O)O MCULE-5012604214 [0,0,0,0,1,1|1,0,0]=3 1451 B12R1.258 O=C(O)C1=CN=CC(=C1)C(=O)O MCULE-9805461276 [0,0,0,0,1,1|1,0,0]=3 1452 B12R1.258 O=C(O)C1=CN=CC(=N1)C(=O)O MCULE-9429157843 [0,0,0,0,1,1|1,0,0]=3 1453 B12R1.258 O=C(O)C1=NC(=CC=C1)N(=O)=O MCULE-9164924501 [0,0,0,0,1,1|1,0,1]=4 1454 B12R1.258 O=C(O)C1=NC(=NC=C1)C(=O)O MCULE-4429935381 [0,0,0,0,1,1|1,0,0]=3 1455 B14R1.814 CC(=O)NC1=C(C=CC=C1)CC(=O)O MCULE-7209446397 [0,0,0,0,0,2|1,0,0]=3 1456 B14R1.814 CC(=O)NC1=C(C=CC=C1)NC(=O)C MCULE-9448450287 [0,0,0,0,0,2|2,0,0]=4 1457 B14R1.814 CC(=O)NC1=CC=CC=C1OC(=O)C MCULE-6109053973 [0,0,0,0,0,2|2,0,0]=4 1458 B14R1.814 CC(=O)NC1=CC=CC=C1SC(=O)C MCULE-3908414303 [0,0,0,0,0,2|2,0,0]=4 1459 B14R1.814 CC(=O)OC1=CC=CC=C1OC(=O)C MCULE-8588000452 [0,0,0,0,0,2|2,0,0]=4 1460 B14R1.814 O=C(O)CC1=C(C=CC=C1)CC(=O)O MCULE-1066180741 [0,0,0,0,0,2|0,0,0]=2 1461 B14R1.4522 C=C(Br)CCC1=CC=CC=C1C(=O)O MCULE-7756520121 [0,0,0,0,0,2|2,0,0]=4 1462 B14R1.4522 C=C(C)CCC1=CC=CC=C1C(=O)O MCULE-5465546948 [0,0,0,0,0,2|2,0,0]=4 1463 B14R1.4522 C=C(C)COC1=CC=CC=C1C(=O)O MCULE-4644369979 [0,0,0,0,0,2|2,0,0]=4 1464 B14R1.4522 C=C(Cl)CCC1=CC=CC=C1C(=O)O MCULE-6377226889 [0,0,0,0,0,2|2,0,0]=4 1465 B14R1.4522 CC(=O)C1=C(C=CC=C1)OCC(=O)N MCULE-4548725272 [0,0,0,0,0,2|2,0,0]=4 1466 B14R1.4522 CC(=O)C1=CC=CC=C1OCC(=O)O MCULE-3363266465 [0,0,0,0,0,2|1,0,0]=3 1467 B14R1.4522 CC(=O)CSC1=C(N=CC=C1)C(=O)O MCULE-6504247839 [0,0,0,0,0,2|2,0,0]=4 1468 B14R1.4522 CC(=O)CSC1=CC=CC=C1C(=O)O MCULE-6104140904 [0,0,0,0,0,2|1,0,0]=3 1469 B14R1.4522 CC(=O)CSC1=NC=CC=C1C(=O)O MCULE-4657182160 [0,0,0,0,0,2|2,0,0]=4 1470 B14R1.4522 NC(=O)C1=C(C=CC=C1)CCC(=O)O MCULE-2466282902 [0,0,0,0,0,2|1,0,0]=3 1471 B14R1.4522 NC(=O)C1=C(C=CC=C1)NCC(=O)O MCULE-7889488839 [0,0,0,0,0,2|1,0,0]=3 1472 B14R1.4522 NC(=O)C1=C(C=CC=C1)OCC(=O)[O-] MCULE-7247474488 [0,0,0,0,0,2|1,0,1]=4 1473 B14R1.4522 NC(=O)C1=CC=CC=C1OCC(=O)O MCULE-5913894164 [0,0,0,0,0,2|1,0,0]=3 1474 B14R1.4522 NC(=O)CNC1=CC=CC=C1C(=O)O MCULE-1789700031 [0,0,0,0,0,2|1,0,0]=3 1475 B14R1.4522 NC(=O)COC1=C(C=CC=C1)C(=O)O MCULE-2788333356 [0,0,0,0,0,2|1,0,0]=3 1476 B14R1.4522 NC(=O)CSC1=C(C=CC=N1)C(=O)O MCULE-3860720061 [0,0,0,0,0,2|2,0,0]=4 1477 B14R1.4522 NC(=O)CSC1=CC=CC=C1C(=O)O MCULE-9086395929 [0,0,0,0,0,2|1,0,0]=3 1478 B14R1.4522 O=C(O)/C=C/C1=C(C=CC=C1)C(=O)O MCULE-7597048629 [0,0,0,0,0,2|0,0,0]=2 1479 B14R1.4522 O=C(O)/C=C/C1=CC=CC=C1N(=O)=O MCULE-1016340001 [0,0,0,0,0,2|1,0,1]=4 1480 B14R1.4522 O=C(O)C#CC1=C(C=CC=C1)N(=O)=O MCULE-8869023899 [0,0,0,0,0,2|1,0,1]=4 1481 B14R1.4522 O=C(O)C1=C(C=CC=C1)CCN(=O)=O MCULE-9004713169 [0,0,0,0,0,2|1,0,1]=4 1482 B14R1.4522 O=C(O)C=CC1=C(C=CC=C1)C(=O)O MCULE-2584094431 [0,0,0,0,0,2|0,0,0]=2 1483 B14R1.4522 O=C(O)C=CC1=CC=CC=C1B(O)O MCULE-5373936090 [0,0,0,0,0,2|1,0,1]=4 1484 B14R1.4522 O=C(O)C=CC1=CC=CC=C1[N+](=O)[O-] MCULE-1714036548 [0,0,0,0,0,2|1,0,1]=4 1485 B14R1.4522 O=C(O)CCC1=C(C=CC=C1)B(O)O MCULE-7761254539 [0,0,0,0,0,2|1,0,1]=4 1486 B14R1.4522 O=C(O)CCC1=C(C=CC=C1)C(=O)O MCULE-9938671725 [0,0,0,0,0,2|0,0,0]=2 1487 B14R1.4522 O=C(O)CCC1=CC=CC=C1N(=O)=O MCULE-1121309373 [0,0,0,0,0,2|1,0,1]=4 1488 B14R1.4522 O=C(O)CNC1=C(C=CC=C1)N(=O)=O MCULE-6085538727 [0,0,0,0,0,2|1,0,1]=4 1489 B14R1.4522 O=C(O)CNC1=C(C=CC=N1)C(=O)O MCULE-5242443715 [0,0,0,0,0,2|1,0,0]=3 1490 B14R1.4522 O=C(O)CNC1=CC=CC=C1C(=O)O MCULE-7070341796 [0,0,0,0,0,2|0,0,0]=2 1491 B14R1.4522 O=C(O)COC1=C(C=CC=C1)C(=O)O MCULE-9315481619 [0,0,0,0,0,2|0,0,0]=2 1492 B14R1.4522 O=C(O)COC1=C(C=CC=C1)N(=O)=O MCULE-7285451991 [0,0,0,0,0,2|1,0,1]=4 1493 B14R1.4522 O=C(O)CSC1=C(C=CC=C1)C(=O)O MCULE-5082048769 [0,0,0,0,0,2|0,0,0]=2 1494 B14R1.4522 O=C(O)CSC1=C(C=CC=N1)C(=O)O MCULE-2158207814 [0,0,0,0,0,2|1,0,0]=3 1495 B14R1.4522 O=C(O)CSC1=CC=CC=C1N(=O)=O MCULE-1124871348 [0,0,0,0,0,2|1,0,1]=4 1496 B14R1.4522 O=C([O-])CNC1=CC=CC=C1C(=O)O MCULE-5192747004 [0,0,0,0,0,2|0,0,1]=3