0 B13R2.5569 CC(=O)C1=C2N=CNC2=CC=C1 MCULE-8454340249 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.5569 CC(=O)C1=C2SC=CC2=CC=C1 MCULE-8404713493 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.5569 CC(=O)C1=CC=CC2=C1NC=C2 MCULE-7132836233 [0,0,0,0,0,0|3,0,1]=4 3 B13R2.5569 CC(=O)C1=CC=CC2=C1NN=C2 MCULE-1009212886 [0,0,0,0,0,0|2,0,2]=4 4 B13R2.5569 CC(=O)C1=CC=CN2C1=NC=C2 MCULE-6183343211 [0,0,0,0,0,0|4,0,0]=4 5 B13R2.5569 CC(=O)C1=CC=CN2C1=NN=C2 MCULE-3113867611 [0,0,0,0,0,0|3,0,1]=4 6 B13R2.5569 NC(=O)C1=C2N=CNC2=CC=C1 MCULE-5561690012 [0,0,0,0,0,0|4,0,0]=4 7 B13R2.5569 NC(=O)C1=C2NC=CC2=CC=C1 MCULE-2844305882 [0,0,0,0,0,0|3,0,1]=4 8 B13R2.5569 NC(=O)C1=C2NN=CC2=CC=C1 MCULE-3193820815 [0,0,0,0,0,0|2,0,2]=4 9 B13R2.5569 NC(=O)C1=CC=CC2=C1N=CO2 MCULE-6227707472 [0,0,0,0,0,0|4,0,0]=4 10 B13R2.5569 NC(=O)C1=CC=CC2=CC=NN12 MCULE-2232384323 [0,0,0,0,0,0|4,0,0]=4 11 B13R2.5569 NC(=O)C1=CC=CN2C1=NC=C2 MCULE-9709382039 [0,0,0,0,0,0|4,0,0]=4 12 B13R2.5569 NC(=O)C1=CC=CN2C1=NN=C2 MCULE-5337455413 [0,0,0,0,0,0|3,0,1]=4 13 B13R2.5569 O=C(Cl)C1=C2NC=CC2=CC=C1 MCULE-1176636781 [0,0,0,0,0,0|3,0,1]=4 14 B13R2.5569 O=C(Cl)C1=CC=CC2=C1SC=C2 MCULE-4199050172 [0,0,0,0,0,0|4,0,0]=4 15 B13R2.5569 O=C(Cl)C1=CC=CC2=NSN=C12 MCULE-7824810610 [0,0,0,0,0,0|4,0,0]=4 16 B13R2.5569 O=C(O)C1=C2N=CC=C2C=CN1 MCULE-2220454206 [0,0,0,0,0,0|3,0,1]=4 17 B13R2.5569 O=C(O)C1=C2N=CC=C2NC=C1 MCULE-2454630913 [0,0,0,0,0,0|3,0,1]=4 18 B13R2.5569 O=C(O)C1=C2N=CNC2=CC=C1 MCULE-4541250755 [0,0,0,0,0,0|3,0,1]=4 19 B13R2.5569 O=C(O)C1=C2N=CSC2=CC=C1 MCULE-9528946128 [0,0,0,0,0,0|3,0,1]=4 20 B13R2.5569 O=C(O)C1=C2N=NNC2=CC=C1 MCULE-3305757289 [0,0,0,0,0,0|2,0,2]=4 21 B13R2.5569 O=C(O)C1=C2NN=CC2=CC=C1 MCULE-8184280663 [0,0,0,0,0,0|1,0,3]=4 22 B13R2.5569 O=C(O)C1=C2SC=CC2=CC=C1 MCULE-6934406879 [0,0,0,0,0,0|3,0,1]=4 23 B13R2.5569 O=C(O)C1=C2SN=CC2=CC=C1 MCULE-6685601083 [0,0,0,0,0,0|2,0,2]=4 24 B13R2.5569 O=C(O)C1=CC=CC2=C1CNC2 MCULE-4644102100 [0,0,0,0,0,0|2,0,2]=4 25 B13R2.5569 O=C(O)C1=CC=CC2=C1CNC2 MCULE-7594340338 [0,0,0,0,0,0|2,0,2]=4 26 B13R2.5569 O=C(O)C1=CC=CC2=C1N=CN2 MCULE-7380245239 [0,0,0,0,0,0|3,0,1]=4 27 B13R2.5569 O=C(O)C1=CC=CC2=C1N=CO2 MCULE-8029628575 [0,0,0,0,0,0|3,0,1]=4 28 B13R2.5569 O=C(O)C1=CC=CC2=C1NC=C2 MCULE-6511881377 [0,0,0,0,0,0|2,0,2]=4 29 B13R2.5569 O=C(O)C1=CC=CC2=C1OC=C2 MCULE-7589586719 [0,0,0,0,0,0|3,0,1]=4 30 B13R2.5569 O=C(O)C1=CC=CC2=CC=NN12 MCULE-8422424396 [0,0,0,0,0,0|3,0,1]=4 31 B13R2.5569 O=C(O)C1=CC=CC2=CN=NN12 MCULE-7853855417 [0,0,0,0,0,0|2,0,2]=4 32 B13R2.5569 O=C(O)C1=CC=CC2=NON=C12 MCULE-1212518067 [0,0,0,0,0,0|3,0,1]=4 33 B13R2.5569 O=C(O)C1=CC=CC2=NSN=C12 MCULE-1855002646 [0,0,0,0,0,0|3,0,1]=4 34 B13R2.5569 O=C(O)C1=CC=CN2C1=NC=C2 MCULE-5356438163 [0,0,0,0,0,0|3,0,1]=4 35 B13R2.5569 O=C(O)C1=CC=CN2C1=NC=C2 MCULE-5541511107 [0,0,0,0,0,0|3,0,1]=4 36 B13R2.5569 O=C(O)C1=CC=CN2C1=NC=C2 MCULE-7388215972 [0,0,0,0,0,0|3,0,1]=4 37 B13R2.5569 O=C(O)C1=CC=CN2C1=NN=C2 MCULE-3270196801 [0,0,0,0,0,0|2,0,2]=4 38 B13R2.5569 O=C(O)C1=CNC=C2C1=NC=C2 MCULE-5265259373 [0,0,0,0,0,0|3,0,1]=4 39 B13R2.5569 O=C(O)C1=CNC=C2C1=NN=C2 MCULE-5935703659 [0,0,0,0,0,0|2,0,2]=4 40 B13R2.5569 O=C([O-])C1=CC=CC2=CN=NN12 MCULE-8475890862 [0,0,0,0,0,0|2,0,1]=3 41 B13R2.5569 O=C([O-])C1=CC=CN2C1=NC=N2 MCULE-6615678754 [0,0,0,0,0,0|4,0,0]=4 42 B13R2.5569 O=N(=O)C1=C2CNCC2=CC=C1 MCULE-1667949651 [0,0,0,0,0,0|1,0,3]=4 43 B13R2.5569 O=N(=O)C1=C2CNCC2=CC=C1 MCULE-4899956179 [0,0,0,0,0,0|1,0,3]=4 44 B13R2.5569 O=N(=O)C1=C2N=CNC2=CC=C1 MCULE-5172686066 [0,0,0,0,0,0|2,0,2]=4 45 B13R2.5569 O=N(=O)C1=C2N=COC2=CC=C1 MCULE-2181990670 [0,0,0,0,0,0|2,0,2]=4 46 B13R2.5569 O=N(=O)C1=C2N=CSC2=CC=C1 MCULE-9653749957 [0,0,0,0,0,0|2,0,2]=4 47 B13R2.5569 O=N(=O)C1=C2N=[Se]=NC2=CC=C1 MCULE-7237673909 [0,0,0,0,0,0|2,0,2]=4 48 B13R2.5569 O=N(=O)C1=C2NC=CC2=CC=C1 MCULE-3223257731 [0,0,0,0,0,0|1,0,3]=4 49 B13R2.5569 O=N(=O)C1=C2NN=CC2=CC=C1 MCULE-3532334406 [0,0,0,0,0,0|0,0,4]=4 50 B13R2.5569 O=N(=O)C1=C2OC=CC2=CC=C1 MCULE-8225816703 [0,0,0,0,0,0|2,0,2]=4 51 B13R2.5569 O=N(=O)C1=C2ON=CC2=CC=C1 MCULE-6629149050 [0,0,0,0,0,0|1,0,3]=4 52 B13R2.5569 O=N(=O)C1=CC=CC2=C1N=NN2 MCULE-6970289510 [0,0,0,0,0,0|1,0,3]=4 53 B13R2.5569 O=N(=O)C1=CC=CC2=C1[N-]N=C2 MCULE-8511029725 [0,0,0,0,0,0|0,0,4]=4 54 B13R2.5569 O=N(=O)C1=CC=CC2=C1[N-]N=C2 MCULE-9235243968 [0,0,0,0,0,0|0,0,4]=4 55 B13R2.5569 O=N(=O)C1=CC=CC2=NON=C12 MCULE-5005642497 [0,0,0,0,0,0|2,0,2]=4 56 B13R2.5569 O=N(=O)C1=CC=CC2=NSN=C12 MCULE-2759684167 [0,0,0,0,0,0|2,0,2]=4 57 B13R2.5569 O=N(=O)C1=CC=CN2C1=NC=C2 MCULE-2642596941 [0,0,0,0,0,0|2,0,2]=4 58 B13R2.5569 O=N(=O)C1=CC=CN2C1=NN=C2 MCULE-7371346711 [0,0,0,0,0,0|1,0,3]=4 59 B12R2.315 O=CC1=C2N=CNC2=CC=C1 MCULE-7205586237 [1,0,0,0,0,0|3,0,0]=4 60 B12R2.315 O=CC1=C2N=COC2=CC=C1 MCULE-6329028881 [1,0,0,0,0,0|3,0,0]=4 61 B12R2.315 O=CC1=C2N=CSC2=CC=C1 MCULE-4660883055 [1,0,0,0,0,0|3,0,0]=4 62 B12R2.315 O=CC1=C2NC=CC2=CC=C1 MCULE-8676629209 [1,0,0,0,0,0|2,0,1]=4 63 B12R2.315 O=CC1=C2NN=CC2=CC=C1 MCULE-1582653472 [1,0,0,0,0,0|1,0,2]=4 64 B12R2.315 O=CC1=C2OC=CC2=CC=C1 MCULE-6684020942 [1,0,0,0,0,0|3,0,0]=4 65 B12R2.315 O=CC1=CC=CC2=C1SC=C2 MCULE-3332011213 [1,0,0,0,0,0|3,0,0]=4 66 B12R2.315 O=CC1=CC=CC2=CC=NN12 MCULE-2100217164 [1,0,0,0,0,0|3,0,0]=4 67 B12R2.315 O=CC1=CC=CC2=NON=C12 MCULE-1196891161 [1,0,0,0,0,0|3,0,0]=4 68 B12R2.315 O=CC1=CC=CC2=NSN=C12 MCULE-7466891849 [1,0,0,0,0,0|3,0,0]=4 69 B12R2.315 O=CC1=CC=CN2C1=NC=C2 MCULE-3312112838 [1,0,0,0,0,0|3,0,0]=4 70 B14R2.4 CC(=O)C1=CC=CC2=C1CNC2=O MCULE-3136365915 [0,1,0,0,0,0|3,0,0]=4 71 B14R2.4 N[C@@H]1CCC2=C(C=CC=C12)[N+](=O)[O-] MCULE-7663457066 [0,1,0,0,0,0|2,0,1]=4 72 B14R2.4 N[C@@H]1CCC2=C1C=CC=C2[N+](=O)[O-] MCULE-6235915817 [0,1,0,0,0,0|2,0,1]=4 73 B14R2.4 N[C@H]1CCC2=C1C=CC=C2[N+](=O)[O-] MCULE-9874735020 [0,1,0,0,0,0|2,0,1]=4 74 B14R2.4 O=C(O)C1=CC=CC2=C1CNC2=O MCULE-1978185547 [0,1,0,0,0,0|2,0,1]=4 75 B14R2.4 O=C(O)C1=CC=CC2=C1NNC2=O MCULE-2300702125 [0,1,0,0,0,0|1,0,2]=4 76 B14R2.4 O=C(O)C1=CC=CN2C1=NNC2=O MCULE-1461652051 [0,1,0,0,0,0|2,0,1]=4 77 B14R2.4 O=C1NCC2=C1C=CC=C2N(=O)=O MCULE-3602688200 [0,1,0,0,0,0|1,0,2]=4 78 B14R2.4 O=C1NNC2=C1C=CC=C2N(=O)=O MCULE-3053868117 [0,1,0,0,0,0|0,0,3]=4 79 B14R2.4 O=C1NOC2=C1C=CC=C2N(=O)=O MCULE-4635316344 [0,1,0,0,0,0|1,0,2]=4 80 B14R2.4 O=[N+]([O-])C1=CC=CC2=C1CC[C@@H]2O MCULE-6148616248 [0,1,0,0,0,0|2,0,1]=4 81 B14R2.4 O=[N+]([O-])C1=CC=CC2=C1CC[C@H]2O MCULE-7376052060 [0,1,0,0,0,0|2,0,1]=4 82 B14R2.712 CC(=O)C1=CC=CC2=CN(N=C12)C MCULE-5930633752 [0,1,0,0,0,0|2,0,0]=3 83 B14R2.712 CN1C=C2C=CC=C(C2=N1)B(O)O MCULE-3017642168 [0,1,0,0,0,0|1,0,2]=4 84 B14R2.712 CN1C=C2C=CC=C(C2=N1)C(=O)O MCULE-4659716147 [0,1,0,0,0,0|1,0,1]=3 85 B14R2.712 CN1C=C2C=CC=C(C2=N1)N(=O)=O MCULE-1123137517 [0,1,0,0,0,0|0,0,2]=3 86 B14R2.712 O=C1C=C2C=CC=C(C2=N1)C(=O)O MCULE-8393292159 [0,1,0,0,0,0|2,0,1]=4 87 B14R2.10782 COC(=O)C1=CC=NC2=CNN=C12 MCULE-4423191001 [0,1,0,0,0,0|2,0,1]=4 88 B14R2.10782 COC(=O)C1=NC=CC2=CNN=C12 MCULE-9379450700 [0,1,0,0,0,0|2,0,1]=4 89 B14R2.15533 O=S(=O)([O-])C1=CC=CC2=NSN=C12 MCULE-3229276861 [0,1,0,0,0,0|3,0,0]=4 90 B12R1.279 O=[N+]([O-])C1=CC(=CC=C1)C=NO MCULE-9250556886 [0,0,1,0,0,0|1,0,1]=3 91 B12R1.283 O=[N+]([O-])C1=CC=CC=C1C=NO MCULE-4817520623 [0,0,1,0,0,0|2,0,1]=4 92 B14R2.31359 CC(=O)C1=C2N=CC=CC2=CC=C1 MCULE-2451267165 [0,0,0,0,0,1|3,0,0]=4 93 B14R2.31359 CC(=O)C1=CC=CC2=C1C=NC=C2 MCULE-6573438434 [0,0,0,0,0,1|3,0,0]=4 94 B14R2.31359 NC(=O)C1=C2N=CC=CC2=CC=C1 MCULE-7978956907 [0,0,0,0,0,1|3,0,0]=4 95 B14R2.31359 NC(=O)C1=CC=CC2=C1C=NC=C2 MCULE-9203839471 [0,0,0,0,0,1|3,0,0]=4 96 B14R2.31359 O=C(Cl)C1=C2N=CC=CC2=CC=C1 MCULE-3813561876 [0,0,0,0,0,1|3,0,0]=4 97 B14R2.31359 O=C(O)C1=C2C=NC=CC2=CC=C1 MCULE-4813839176 [0,0,0,0,0,1|2,0,1]=4 98 B14R2.31359 O=C(O)C1=C2N=CC=NC2=CC=C1 MCULE-8277543293 [0,0,0,0,0,1|2,0,1]=4 99 B14R2.31359 O=C(O)C1=CC=CC2=C1C=NN=C2 MCULE-6174514291 [0,0,0,0,0,1|1,0,2]=4 100 B14R2.31359 O=C(O)C1=CC=CC2=CC=CN=C12 MCULE-3427768764 [0,0,0,0,0,1|2,0,1]=4 101 B14R2.31359 O=C(O)C1=CC=CC2=CN=CN=C12 MCULE-9597753012 [0,0,0,0,0,1|1,0,2]=4 102 B14R2.31359 O=C([O-])C1=CC=CC2=NC=NC=C12 MCULE-3861148965 [0,0,0,0,0,1|2,0,1]=4 103 B14R2.31359 O=N(=O)C1=C2C=NN=CC2=CC=C1 MCULE-6927840040 [0,0,0,0,0,1|0,0,3]=4 104 B14R2.31359 O=N(=O)C1=C2N=CC=NC2=CC=C1 MCULE-1102397749 [0,0,0,0,0,1|1,0,2]=4 105 B14R2.31359 O=N(=O)C1=C2N=NC=CC2=CC=C1 MCULE-4466840175 [0,0,0,0,0,1|0,0,3]=4 106 B14R2.31359 O=N(=O)C1=CC=CC2=C1C=NC=C2 MCULE-3490617234 [0,0,0,0,0,1|1,0,2]=4 107 B14R2.31359 O=N(=O)C1=CC=CC2=C1N=CC=C2 MCULE-6713363771 [0,0,0,0,0,1|1,0,2]=4 108 B14R2.31359 O=S([O-])C1=C2C=CC=CC2=CC=C1 MCULE-7922822828 [0,0,0,0,0,1|3,0,0]=4 109 B11R2.106 NC1=CC=CC2=CSN=C12 MCULE-6766270445 [2,0,0,0,0,0|1,0,1]=4 110 B11R2.106 OC1=CC=CC2=CNN=C12 MCULE-5477743273 [2,0,0,0,0,0|0,0,1]=3 111 B13R1.354 CN=CC1=C(C=CC(=C1)[N+](=O)[O-])Cl MCULE-4371314641 [0,1,1,0,0,0|1,0,1]=4 112 B13R1.354 O=[N+]([O-])C1=CC(=C(C=C1)Cl)C=NO MCULE-9601623864 [0,1,1,0,0,0|1,0,1]=4 113 B13R1.354 O=[N+]([O-])C1=CC=C(C(=C1)C=NO)O MCULE-9595922939 [0,1,1,0,0,0|1,0,1]=4 114 B13R1.377 NN=CC1=CC=CC(=C1O)[N+](=O)[O-] MCULE-8187903943 [0,1,1,0,0,0|0,0,2]=4 115 B13R1.377 O=[N+]([O-])C1=C(C(=CC=C1)C=NO)O MCULE-1657201691 [0,1,1,0,0,0|1,0,1]=4 116 B13R1.387 O=[N+]([O-])C1=C(C=CC(=C1)C=NO)Cl MCULE-1216789872 [0,1,1,0,0,0|1,0,1]=4 117 B13R1.387 O=[N+]([O-])C1=C(C=CC(=C1)C=NO)O MCULE-7022778719 [0,1,1,0,0,0|1,0,1]=4 118 B13R1.543 CC(=NN)C1=CC=CC(=C1)[N+](=O)[O-] MCULE-9839769318 [0,1,1,0,0,0|0,0,2]=4 119 B13R1.543 CC(=NO)C1=CC(=CC=C1)[N+](=O)[O-] MCULE-6845570744 [0,1,1,0,0,0|1,0,1]=4 120 B13R1.543 O=[N+]([O-])C1=CC=CC(=C1)C(=NO)Cl MCULE-5067923143 [0,1,1,0,0,0|1,0,1]=4 121 B13R1.568 O=CC=CC1=CC(=CC=C1)[N+](=O)[O-] MCULE-5463713200 [0,1,1,0,0,0|2,0,0]=4 122 B13R1.547 C=C[C@@H](N)C1=CC=CC=C1[N+](=O)[O-] MCULE-1133218530 [0,1,1,0,0,0|2,0,0]=4 123 B13R1.547 C=C[C@@H](N)C1=CC=CC=C1[N+](=O)[O-] MCULE-7024617119 [0,1,1,0,0,0|2,0,0]=4 124 B13R1.547 C=C[C@H](N)C1=CC=CC=C1[N+](=O)[O-] MCULE-1656378490 [0,1,1,0,0,0|2,0,0]=4 125 B13R1.547 C=C[C@H](N)C1=CC=CC=C1[N+](=O)[O-] MCULE-7047861839 [0,1,1,0,0,0|2,0,0]=4 126 B13R1.572 CC=NNC1=CC=CC=C1[N+](=O)[O-] MCULE-8649416626 [0,1,1,0,0,0|0,0,2]=4 127 B13R1.572 O=CC=CC1=C(C=CC=C1)[N+](=O)[O-] MCULE-9129809765 [0,1,1,0,0,0|2,0,0]=4 128 B13R2.573 O=CC1=CC=CC2=C1CNC2=O MCULE-9543275073 [1,1,0,0,0,0|2,0,0]=4 129 B13R2.581 CN1C=C2C=CC=C(C2=N1)C#N MCULE-8776958827 [1,1,0,0,0,0|2,0,0]=4 130 B13R2.581 CN1C=C2C=CC=C(C2=N1)C=O MCULE-8121596174 [1,1,0,0,0,0|1,0,0]=3 131 B13R2.581 CN1C=C2C=CC=C(C2=N1)CBr MCULE-5677151484 [1,1,0,0,0,0|2,0,0]=4 132 B13R2.581 CN1C=C2C=CC=C(C2=N1)CN MCULE-3678174733 [1,1,0,0,0,0|2,0,0]=4 133 B13R2.581 CN1C=C2C=CC=C(C2=N1)CN MCULE-9706989405 [1,1,0,0,0,0|2,0,0]=4 134 B13R2.581 CN1C=C2C=CC=C(C2=N1)CO MCULE-3670375181 [1,1,0,0,0,0|1,0,1]=4 135 B13R2.581 COC1=CC=CC2=CN(N=C12)C MCULE-7760806340 [1,1,0,0,0,0|2,0,0]=4 136 B15R2.13611 O=C(O)C1=C2N=CNC(=O)C2=CC=C1 MCULE-2915349420 [0,1,0,0,0,1|1,0,1]=4 137 B15R2.109477 O=S(=O)([O-])C1=CC=CC2=CC=CN=C12 MCULE-4397985966 [0,1,0,0,0,1|2,0,0]=4 138 B15R2.9280 CC1=CC=C(C2=NNC(=C12)I)N(=O)=O MCULE-8587039616 [0,2,0,0,0,0|0,0,2]=4 139 B15R2.9280 O=N(=O)C1=CC=C(C2=C(NN=C12)Cl)F MCULE-8856444535 [0,2,0,0,0,0|0,0,2]=4 140 B15R2.9280 O=N(=O)C1=CC=C(C2=C(NN=C12)I)Cl MCULE-6504045608 [0,2,0,0,0,0|0,0,2]=4 141 B15R2.9280 O=N(=O)C1=CC=C(C2=C(NN=C12)I)F MCULE-5014501619 [0,2,0,0,0,0|0,0,2]=4 142 B15R2.62112 CN1C=C2C=C(C=C(C2=N1)C(=O)N)Br MCULE-3961137699 [0,2,0,0,0,0|2,0,0]=4 143 B15R2.62112 CN1C=C2C=C(C=C(C2=N1)N(=O)=O)Br MCULE-5729180604 [0,2,0,0,0,0|0,0,2]=4 144 B15R2.1105 CN1C=C2C=CC=C(C2=N1)S(=O)(=O)Cl MCULE-2363017038 [0,2,0,0,0,0|1,0,1]=4 145 B15R2.19309 COC(=O)C1=CC=CC2=CN(N=C12)C MCULE-3206965556 [0,2,0,0,0,0|1,0,1]=4 146 B13R2.72 CC(=O)C1=C2C=CC=CN2N=C1 MCULE-6568440480 [0,0,1,1,0,0|2,0,0]=4 147 B13R2.72 NC(=O)C1=C2C=CC=CN2N=C1 MCULE-1279040359 [0,0,1,1,0,0|2,0,0]=4 148 B13R2.72 O=C(O)C1=C2C=CC=CN2N=C1 MCULE-4993718209 [0,0,1,1,0,0|1,0,1]=4 149 B13R2.72 O=N(=O)C1=C2C=CC=CN2N=C1 MCULE-7447993301 [0,0,1,1,0,0|0,0,2]=4 150 B13R2.1613 O=CC1=C2C=NC=CC2=CC=C1 MCULE-1437145891 [1,0,0,0,0,1|2,0,0]=4 151 B13R2.1613 O=CC1=CC=CC2=C1N=CC=C2 MCULE-6633921490 [1,0,0,0,0,1|2,0,0]=4 152 B13R2.1613 O=CC1=CC=CC2=C1N=CC=N2 MCULE-6297689525 [1,0,0,0,0,1|2,0,0]=4 153 B13R2.1613 O=CC1=CC=CC2=CN=CN=C12 MCULE-1405884995 [1,0,0,0,0,1|1,0,1]=4