0 B14R2.203 CC1=C(CBr)C2=CC=CC=C2C=C1 F21155 [0,0,0,0,0,0|2,0,0]=2 1 B14R2.203 ClCC1=C(Cl)N=CC2=CC=CC=C21 55183 [0,0,0,0,0,0|3,0,0]=3 2 B14R2.203 N#CC1=C(Cl)N=CC2=CC=CC=C21 O10992 [0,0,0,0,0,0|2,0,2]=4 3 B14R2.203 N#CC1=C(O)C=CC2=CC=CC=C21 90841 [0,0,0,0,0,0|0,0,2]=2 4 B14R2.203 O=CC1=C(Cl)C=NC2=CC=CC=C21 93349 [0,0,0,0,0,0|3,0,1]=4 5 B14R2.203 O=CC1=C(Cl)N=CC2=CC=CC=C21 27506 [0,0,0,0,0,0|3,0,1]=4 6 B14R2.203 O=CC1=C(O)C=CC2=NC=CC=C21 31374 [0,0,0,0,0,0|2,0,1]=3 7 B14R2.203 OCC1=C(Cl)N=CC2=CC=CC=C21 55182 [0,0,0,0,0,0|3,0,0]=3 8 B13R2.32 BrC1=C(Br)C2=CC=CC=C2C=N1 36192 [1,0,0,0,0,0|3,0,0]=4 9 B13R2.32 CC1=C(O)C2=NC=CC=C2C=C1 71141 [1,0,0,0,0,0|3,0,0]=4 10 B13R2.32 ClC1=C(Br)C2=CC=CC=C2N=C1 93348 [1,0,0,0,0,0|3,0,0]=4 11 B13R2.32 FC1=C(Br)C2=CC=CN=C2C=C1 AC2843 [1,0,0,0,0,0|3,0,0]=4 12 B13R2.32 NC1=C(Br)N=CC2=CC=CC=C21 27185 [1,0,0,0,0,0|2,0,0]=3 13 B13R2.32 NC1=C(Cl)C2=CC=CC=C2C=N1 91248 [1,0,0,0,0,0|3,0,0]=4 14 B13R2.32 NC1=C(Cl)C=NC2=CC=CC=C21 O10994 [1,0,0,0,0,0|2,0,0]=3 15 B13R2.32 NC1=CC=C2N=CC=CC2=C1N 98386 [1,0,0,0,0,0|2,0,0]=3 16 B13R2.32 NC1=CC=C2N=CC=CC2=C1N CS1203 [1,0,0,0,0,0|2,0,0]=3 17 B13R2.32 OC1=C(Cl)C2=CC=CC=C2N=C1 C15579 [1,0,0,0,0,0|2,0,0]=3 18 B13R2.32 OC1=C(Cl)C2=NC=CC=C2C=C1 C14483 [1,0,0,0,0,0|2,0,0]=3 19 B13R2.32 OC1=C(Cl)C=NC2=CC=CC=C21 93347 [1,0,0,0,0,0|3,0,0]=4 20 B13R2.32 OC1=C(Cl)N=CC2=CC=CC=C21 CL1036 [1,0,0,0,0,0|3,0,0]=4 21 B13R2.1613 BrCC1=CC=CC2=CC=NC=C21 78434 [1,0,0,0,0,0|2,0,0]=3 22 B13R2.1613 BrCC1=CC=CC2=CN=CC=C21 27043 [1,0,0,0,0,0|2,0,0]=3 23 B13R2.1613 BrCC1=CC=CC2=NC=CC=C12 O11300 [1,0,0,0,0,0|2,0,0]=3 24 B13R2.1613 BrCC1=CC=NC2=CC=CC=C12 AC1839 [1,0,0,0,0,0|2,0,0]=3 25 B13R2.1613 COC1=NC=CC2=CC=CC=C21 C15382 [1,0,0,0,0,0|3,0,0]=4 26 B13R2.1613 ClCC1=CC=NC2=CC=CC=C12 83041 [1,0,0,0,0,0|2,0,0]=3 27 B13R2.1613 ClCC1=CC=NC2=CC=CC=C12 C15997 [1,0,0,0,0,0|2,0,0]=3 28 B13R2.1613 NCC1=C2C=CN=CC2=CC=C1 20474 [1,0,0,0,0,0|1,0,0]=2 29 B13R2.1613 NCC1=C2C=NC=CC2=CC=C1 F14024 [1,0,0,0,0,0|1,0,0]=2 30 B13R2.1613 NCC1=C2N=CC=CC2=CC=C1 C77643 [1,0,0,0,0,0|1,0,0]=2 31 B13R2.1613 NCC1=NC=CC2=CC=CC=C21 25855 [1,0,0,0,0,0|1,0,0]=2 32 B13R2.1613 NNC1=NC=CC2=CC=CC=C21 F16016 [1,0,0,0,0,0|2,0,0]=3 33 B13R2.1613 NNC1=NC=NC2=CC=CC=C21 AC5998 [1,0,0,0,0,0|3,0,0]=4 34 B13R2.1613 OCC1=CC=CC2=NC=CC=C12 W10519 [1,0,0,0,0,0|2,0,0]=3 35 B13R2.1613 OCC1=CN=CC2=CC=CC=C21 89023 [1,0,0,0,0,0|2,0,0]=3 36 B15R2.1162 NC1=C(C(=O)O)C2=CC=CC=C2C=C1 68060 [0,1,0,0,0,0|2,0,1]=4 37 B15R2.1162 O=C(O)C1=C(O)C=CC2=CN=CC=C21 E70449 [0,1,0,0,0,0|2,0,1]=4 38 B15R2.1162 O=[N+]([O-])C1=C(O)C=CC2=CC=CC=C21 T72604 [0,1,0,0,0,0|2,0,0]=3 39 B15R2.2115 COC1=C(CBr)C2=NC=CC=C2N=C1 67229 [0,1,0,0,0,0|3,0,0]=4 40 B15R2.5773 OCC1=C2C=CC(Br)=CC2=CN=C1Cl 55185 [0,1,0,0,0,0|3,0,0]=4 41 B15R2.36352 OCC1=C(Cl)C=NC2=CC=C(F)C=C21 57875 [0,1,0,0,0,0|3,0,0]=4 42 B15R2.36352 OCC1=C2C=C(Br)C=CC2=NC=C1Cl 57873 [0,1,0,0,0,0|3,0,0]=4 43 B13R2.135 CC1=C(CN)N2C=CC=CC2=N1 87842 [0,0,0,0,1,0|3,0,0]=4 44 B13R2.135 CC1=C(CO)C2=C(C=CC=C2)N1 71544 [0,0,0,0,1,0|3,0,0]=4 45 B12R1.478 NC[C@@H](C(=O)O)C1=CC=CC=C1 A50497 [1,0,1,0,0,0|1,0,1]=4 46 B12R1.478 NC[C@@H](C(=O)O)C1=CC=CC=C1 F15100 [1,0,1,0,0,0|1,0,1]=4 47 B12R2.24 NC1=CC=C2N=CC=CC2=C1 F19169 [2,0,0,0,0,0|2,0,0]=4 48 B12R2.1081 CC1=C2C=NC=CC2=CC=C1 D87678 [2,0,0,0,0,0|1,0,0]=3 49 B12R2.1081 FC1=CC=NC2=CC=CC=C12 P19300 [2,0,0,0,0,0|2,0,0]=4 50 B12R2.1081 [2H]C1=CC=CC2=CC=CC=C12 D98917 [2,0,0,0,0,0|1,0,0]=3 51 B14R2.92 COC1=C(Br)C2=CC=NC=C2C=C1 F14395 [1,1,0,0,0,0|2,0,0]=4 52 B14R2.92 COC1=C(Br)C2=CN=CC=C2C=C1 59976 [1,1,0,0,0,0|2,0,0]=4 53 B14R2.92 NC1=C(CO)C=CC2=CC=CC=C21 AC7220 [1,1,0,0,0,0|0,0,0]=2 54 B14R2.4513 CC1=C(F)C=CC2=C1NC(=O)C=C2 AT15321 [1,1,0,0,0,0|2,0,0]=4 55 B14R2.4513 CC1=CC=C2C=CC(Br)=C(C)C2=N1 D80146 [1,1,0,0,0,0|2,0,0]=4 56 B14R2.4513 CN1C(=O)C=CC2=C1C=C(F)C=C2 P15189 [1,1,0,0,0,0|1,0,1]=4 57 B14R2.7724 CC1=C(O)C2=CC=CC=C2C(N)=C1 42864 [1,1,0,0,0,0|2,0,0]=4 58 B14R2.7724 CC1=CC(Br)=C(O)C2=CC=CC=C12 E71142 [1,1,0,0,0,0|2,0,0]=4 59 B14R2.8038 CC1=C2N=CC=C(Br)C2=CC=C1Cl 82855 [1,1,0,0,0,0|2,0,0]=4 60 B14R2.8188 CC1=CC2=C(C=CC=C2)N(C)C1=O 58047 [1,1,0,0,0,0|1,0,1]=4 61 B14R2.8188 CN1C(=O)C(Br)=CC2=C1C=CC=C2 D77883 [1,1,0,0,0,0|1,0,1]=4 62 B14R2.29369 CC1=CC=C2N=C(C)C=CC2=C1N 53087 [1,1,0,0,0,0|2,0,0]=4 63 B14R2.29369 CN1C(=O)C=CC2=C1C=CC(Br)=C2 88454 [1,1,0,0,0,0|1,0,1]=4 64 B14R2.29369 CN1C(=O)C=CC2=C1C=CC(N)=C2 58051 [1,1,0,0,0,0|1,0,1]=4 65 B14R2.29369 NC1=CC=C2C=C(Br)C=CC2=C1N AC3324 [1,1,0,0,0,0|1,0,0]=3 66 B14R2.1073 CC1=NC=C2C(=C1)C=CC=C2CBr D80095 [1,1,0,0,0,0|2,0,0]=4 67 B14R2.1073 COC1=C2C=CC(Cl)=CC2=CC=C1 N14589 [1,1,0,0,0,0|2,0,0]=4 68 B14R2.1073 COC1=C2C=CC(F)=CC2=CC=C1 N14586 [1,1,0,0,0,0|2,0,0]=4 69 B14R2.1073 N#CC1=C2C=CC(Br)=CC2=CC=C1 F52198 [1,1,0,0,0,0|0,0,2]=4 70 B14R2.1078 CC1=C2C=CC=C(C=O)C2=CC=C1 AT21511 [1,1,0,0,0,0|1,0,1]=4 71 B14R2.1078 CCC1=C2N=CC=C(O)C2=CC=C1 AT25642 [1,1,0,0,0,0|2,0,0]=4 72 B14R2.1078 COC1=C2C=CC=C(Br)C2=CC=C1 N14591 [1,1,0,0,0,0|2,0,0]=4 73 B14R2.1078 COC1=C2C=CC=C(Cl)C2=CC=C1 N14588 [1,1,0,0,0,0|2,0,0]=4 74 B14R2.1078 COC1=C2C=CC=C(F)C2=CC=C1 N14585 [1,1,0,0,0,0|2,0,0]=4 75 B14R2.1078 COC1=C2C=CC=C(I)C2=CC=C1 20757 [1,1,0,0,0,0|2,0,0]=4 76 B14R2.1078 N#CC1=C2C=CC=C(O)C2=CC=C1 AC5441 [1,1,0,0,0,0|0,0,2]=4 77 B14R2.1078 O=CC1=C2C=CC=C(Cl)C2=CC=C1 AC2059 [1,1,0,0,0,0|1,0,1]=4 78 B14R2.1078 OCC1=C2C=CC=C(Br)C2=NC=C1 97752 [1,1,0,0,0,0|2,0,0]=4 79 B14R2.1131 CC1=CC=C(CF)C2=CC=CC=C12 91801 [1,1,0,0,0,0|1,0,0]=3 80 B14R2.1131 CC[N+]1=CC=C(C)C2=CC=CC=C21 V10009 [1,1,0,0,0,0|2,0,0]=4 81 B14R2.1131 COC1=CC=C(Cl)C2=CC=CC=C12 AT15697 [1,1,0,0,0,0|2,0,0]=4 82 B14R2.1131 FC1=CC=C(CCl)C2=CC=CC=C12 N11814 [1,1,0,0,0,0|1,0,0]=3 83 B14R2.1131 NCC1=NNC(=O)C2=C1C=CC=C2 D74986 [1,1,0,0,0,0|2,0,0]=4 84 B14R2.1131 O=CC1=CC=C(Cl)C2=CC=CC=C12 AC8814 [1,1,0,0,0,0|1,0,1]=4 85 B14R2.1131 OCC1=CC=C(F)C2=CC=NC=C12 D80100 [1,1,0,0,0,0|2,0,0]=4 86 B14R2.1146 COC1=CC(N)=CC2=CC=CC=C21 70410 [1,1,0,0,0,0|2,0,0]=4 87 B14R2.1146 ClC1=CC2=CC=CN=C2C(CBr)=C1 93358 [1,1,0,0,0,0|2,0,0]=4 88 B14R2.1146 NNC1=CC(=O)NC2=C1C=CC=C2 F52341 [1,1,0,0,0,0|2,0,0]=4 89 B14R2.1146 OCC1=CC(Cl)=CC2=CC=CN=C21 93357 [1,1,0,0,0,0|2,0,0]=4 90 B14R2.7150 C#CCC1=C2N=CC=CC2=CC=C1 89451 [1,1,0,0,0,0|2,0,0]=4 91 B14R2.7150 N#CCC1=CC=NC2=CC=CC=C12 C14711 [1,1,0,0,0,0|1,0,1]=4 92 B14R2.7150 NNCC1=CC=CC2=CC=CC=C21 AC3091 [1,1,0,0,0,0|0,0,0]=2 93 B14R2.7150 O=CCC1=CC=CC2=NC=CC=C12 P20551 [1,1,0,0,0,0|2,0,0]=4 94 B14R2.7150 O=CCC1=CC=NC2=CC=CC=C12 F31100 [1,1,0,0,0,0|2,0,0]=4 95 B14R2.11635 CC1=C2C(=CC=C1)C=CC=C2CO F11525 [1,1,0,0,0,0|1,0,0]=3 96 B14R2.11635 CCC1=C2C(Br)=CC=CC2=CC=C1 E71997 [1,1,0,0,0,0|1,0,0]=3 97 B14R2.11684 COC1=C2C=C(Cl)C=CC2=CC=C1 N14590 [1,1,0,0,0,0|2,0,0]=4 98 B14R2.31359 C[C@H](Cl)C1=CC=CC2=CC=CN=C21 92490 [1,1,0,0,0,0|2,0,0]=4 99 B14R2.31359 C[C@H](Cl)C1=CC=CC2=NC=CC=C12 92494 [1,1,0,0,0,0|2,0,0]=4 100 B14R2.31359 C[C@H](N)C1=C2C=CCCC2=CC=C1 F19359 [1,1,0,0,0,0|0,0,2]=4 101 B14R2.31359 C[C@H](N)C1=C2C=CN=CC2=CC=C1 N14902 [1,1,0,0,0,0|1,0,0]=3 102 B14R2.31359 C[C@H](N)C1=C2C=NC=CC2=CC=C1 N14920 [1,1,0,0,0,0|1,0,0]=3 103 B14R2.31359 C[C@H](N)C1=C2N=CC=CC2=CC=C1 N13156 [1,1,0,0,0,0|1,0,0]=3 104 B14R2.31359 C[C@H](O)C1=CC=CC2=CC=CN=C21 92489 [1,1,0,0,0,0|2,0,0]=4 105 B14R2.31359 C[C@H](O)C1=CC=CC2=NC=CC=C12 92493 [1,1,0,0,0,0|2,0,0]=4 106 B14R2.517 CC1=CC2=C(C=CC=C2)N1CCN N16820 [0,1,0,0,1,0|2,0,0]=4 107 B16R2.2073 COC1=C(C(C)=O)C2=CC=CC=C2C=C1 T72632 [0,2,0,0,0,0|1,0,1]=4 108 B16R2.6148 COC1=C(B(O)O)C=CC2=CC=CC=C21 AT25682 [0,2,0,0,0,0|2,0,0]=4 109 B14R2.112 NCCC1=CC2=CC=CC=C2C=C1 C15255 [0,0,1,1,0,0|1,0,1]=4 110 B14R2.112 NCCC1=CC2=CC=CC=C2C=C1 C78028 [0,0,1,1,0,0|1,0,1]=4 111 B14R2.1128 NC1=CC2=CC=CC=C2C=C1C=O F15847 [0,0,1,1,0,0|0,0,2]=4 112 B12R2.18 CN1C(Br)=CC2=C1C=CC=C2 AC7141 [1,0,0,0,1,0|2,0,0]=4 113 B12R2.18 CN1C(I)=CC2=C1C=CC=C2 Y10946 [1,0,0,0,1,0|2,0,0]=4 114 B12R2.18 CN1C(N)=CC2=C1C=CC=C2 64263 [1,0,0,0,1,0|2,0,0]=4 115 B12R2.82 CC1=C(N)C=CC2=C1C=CN2 51990 [1,0,0,0,1,0|2,0,0]=4 116 B12R2.82 NC1=C(O)C=CC2=C1NN=C2 93536 [1,0,0,0,1,0|2,0,0]=4 117 B12R2.82 OC1=C(F)C2=C(C=CO2)C=C1 AC2179 [1,0,0,0,1,0|2,0,0]=4 118 B12R2.1 ClCC1=COC2=C1C=CC=C2 C76142 [1,0,0,0,1,0|2,0,0]=4 119 B12R2.1 NCC1=C2C=CC=CN2C=N1 70901 [1,0,0,0,1,0|2,0,0]=4 120 B12R2.1 NCC1=CNC2=C1C=CC=C2 C80078 [1,0,0,0,1,0|1,0,0]=3 121 B12R2.1 NCC1=CNC2=NC=CC=C12 P11573 [1,0,0,0,1,0|2,0,0]=4 122 B12R2.1 NCC1=COC2=C1C=CC=C2 AC4652 [1,0,0,0,1,0|1,0,0]=3 123 B12R2.1 OCC1=COC2=C1C=CC=C2 AC6184 [1,0,0,0,1,0|2,0,0]=4 124 B12R2.315 CCC1=CC=CC2=C1C=CN2 F18194 [1,0,0,0,1,0|2,0,0]=4 125 B12R2.315 NCC1=C2OC=NC2=CC=C1 AC2207 [1,0,0,0,1,0|2,0,0]=4 126 B12R2.315 NCC1=C2SC=NC2=CC=C1 AT24346 [1,0,0,0,1,0|2,0,0]=4 127 B12R2.315 NCC1=NC=CC2=C1C=CO2 72309 [1,0,0,0,1,0|2,0,0]=4