0 B14R2.7724 CN1C(=O)C=C(Br)C2=C1C=CC=C2 Y11130 [0,0,0,0,0,0|1,0,0]=1 1 B14R2.7724 CN1C(=O)NC(=O)C2=C1C=CC=C2 C75825 [0,0,0,0,0,0|1,0,1]=2 2 B14R2.7724 O=C1NC(=O)C2=C(C=CC=C2)C1=O D81951 [0,0,0,0,0,0|3,0,1]=4 3 B13R2.32 CC1=C(Br)C=CC2=NC=CC=C21 F19194 [1,0,0,0,0,0|3,0,0]=4 4 B13R2.32 CC1=C(Br)C=NC2=CC=CC=C21 C75769 [1,0,0,0,0,0|3,0,0]=4 5 B13R2.32 CC1=C(Cl)C=CC2=CC=CN=C21 F19163 [1,0,0,0,0,0|3,0,0]=4 6 B13R2.32 CC1=C(N)C=NC2=CC=CC=C21 84297 [1,0,0,0,0,0|3,0,0]=4 7 B13R2.32 CC1=C(N)N=CC2=CC=CC=C21 D94798 [1,0,0,0,0,0|3,0,0]=4 8 B13R2.32 CC1=C(O)C=NC2=CC=CC=C21 C75922 [1,0,0,0,0,0|2,0,1]=4 9 B13R2.32 CN1C(=O)CCC2=C1C=CC=C2 N11819 [1,0,0,0,0,0|0,0,2]=3 10 B13R2.32 NC1=C(Br)C=CC2=CC=CC=C21 F13404 [1,0,0,0,0,0|3,0,0]=4 11 B13R2.32 NC1=C(O)C2=CC=CC=C2C=C1 A12509 [1,0,0,0,0,0|3,0,0]=4 12 B13R2.32 O=C1NC=C2C=CC=CC2=C1Br P20049 [1,0,0,0,0,0|3,0,0]=4 13 B13R2.32 OC1=C(I)C2=CC=CC=C2C=C1 34754 [1,0,0,0,0,0|2,0,1]=4 14 B13R2.32 OC1=C(O)C2=CC=CC=C2C=C1 T71079 [1,0,0,0,0,0|2,0,1]=4 15 B13R2.328 C=C1OC(=O)NC2=C1C=CC=C2 A10123 [1,0,0,0,0,0|2,0,0]=3 16 B13R2.328 CC1=CC(=O)NC2=NC=CC=C12 33279 [1,0,0,0,0,0|2,0,0]=3 17 B13R2.328 CC1=CC(=O)OC2=C1C=CC=C2 63779 [1,0,0,0,0,0|2,0,0]=3 18 B13R2.328 CC1=CC(Br)=NC2=CC=CC=C12 94407 [1,0,0,0,0,0|2,0,1]=4 19 B13R2.328 CC1=CC(N)=NC2=CC=CC=C12 88227 [1,0,0,0,0,0|2,0,1]=4 20 B13R2.328 CC1=CC2=CC=CC=C2C(Br)=C1 N10649 [1,0,0,0,0,0|3,0,0]=4 21 B13R2.328 CC1=CC2=CC=CC=C2C(N)=C1 N13183 [1,0,0,0,0,0|3,0,0]=4 22 B13R2.328 CC1=CC2=CC=CN=C2C(O)=C1 C73976 [1,0,0,0,0,0|3,0,0]=4 23 B13R2.328 CC1=NC2=CC=CC=C2C(Br)=C1 35493 [1,0,0,0,0,0|2,0,1]=4 24 B13R2.328 CC1=NC2=CC=CC=C2C(I)=C1 P17848 [1,0,0,0,0,0|2,0,1]=4 25 B13R2.328 CN1CC(=O)NC2=C1C=CC=C2 87043 [1,0,0,0,0,0|2,0,1]=4 26 B13R2.328 NC1=CC(=O)NC2=C1C=CC=C2 35478 [1,0,0,0,0,0|1,0,0]=2 27 B13R2.328 NC1=CC(Br)=NC2=CC=CC=C12 C74900 [1,0,0,0,0,0|2,0,1]=4 28 B13R2.328 NC1=CC2=CC=CC=C2C(Br)=C1 O11192 [1,0,0,0,0,0|3,0,0]=4 29 B13R2.328 NC1=NC2=CC=CC=C2C(Br)=C1 C74899 [1,0,0,0,0,0|2,0,1]=4 30 B13R2.328 O=C1C=C(Br)C2=C(C=CC=C2)N1 F52101 [1,0,0,0,0,0|1,0,0]=2 31 B13R2.328 O=C1C=C(Cl)C2=C(C=CC=C2)N1 51680 [1,0,0,0,0,0|1,0,0]=2 32 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)N1 Y10382 [1,0,0,0,0,0|2,0,1]=4 33 B13R2.328 O=C1NC(=O)C2=C(C=CN=C2)N1 SC4181 [1,0,0,0,0,0|2,0,1]=4 34 B13R2.328 O=C1NC(=O)C2=C(C=NC=C2)N1 26509 [1,0,0,0,0,0|2,0,1]=4 35 B13R2.328 OC1=CC(Br)=CC2=CC=CC=C12 F19625 [1,0,0,0,0,0|2,0,0]=3 36 B13R2.328 OC1=CC(Br)=CC2=CC=CN=C12 F52175 [1,0,0,0,0,0|3,0,0]=4 37 B13R2.328 OC1=CC(Br)=CC2=NC=CC=C12 27480 [1,0,0,0,0,0|3,0,0]=4 38 B13R2.328 OC1=CC(Cl)=CC2=CC=CN=C12 71757 [1,0,0,0,0,0|3,0,0]=4 39 B13R2.328 OC1=CC(Cl)=CC2=NC=CC=C12 K10272 [1,0,0,0,0,0|3,0,0]=4 40 B13R2.328 OC1=CC(Cl)=NC2=CC=CC=C12 27588 [1,0,0,0,0,0|1,0,1]=3 41 B13R2.328 OC1=CC(F)=CC2=CC=CN=C12 27630 [1,0,0,0,0,0|3,0,0]=4 42 B13R2.328 OC1=CC(O)=NC2=CN=CC=C12 80664 [1,0,0,0,0,0|1,0,2]=4 43 B13R2.371 CC1=CC=C(Br)C2=CC=CN=C12 31113 [1,0,0,0,0,0|3,0,0]=4 44 B13R2.371 CC1=CC=C(N)C2=CC=CC=C12 C10182 [1,0,0,0,0,0|2,0,0]=3 45 B13R2.371 CC1=CC=C(O)C2=NC=CC=C12 AB1120 [1,0,0,0,0,0|2,0,0]=3 46 B13R2.371 CC1=CN=C(Br)C2=CC=CC=C12 C72917 [1,0,0,0,0,0|3,0,0]=4 47 B13R2.371 CC1=CN=C(Cl)C2=CC=CC=C12 69155 [1,0,0,0,0,0|3,0,0]=4 48 B13R2.371 CC1=NC=C(Br)C2=CC=CC=C21 Y10583 [1,0,0,0,0,0|3,0,0]=4 49 B13R2.371 ClC1=CC=C(Br)C2=CC=CC=C12 A11237 [1,0,0,0,0,0|3,0,0]=4 50 B13R2.371 NC1=CC=C(Cl)C2=CC=CC=C12 A12545 [1,0,0,0,0,0|3,0,0]=4 51 B13R2.371 NC1=CC=C(F)C2=CC=CC=C12 AC1950 [1,0,0,0,0,0|3,0,0]=4 52 B13R2.371 NC1=CC=C(F)C2=CC=CC=C12 S10239 [1,0,0,0,0,0|3,0,0]=4 53 B13R2.371 NC1=CC=C(N)C2=CC=CC=C12 W18823 [1,0,0,0,0,0|3,0,0]=4 54 B13R2.371 O=C1NC=C(O)C2=C1C=CC=C2 54693 [1,0,0,0,0,0|3,0,0]=4 55 B13R2.371 OC1=CC=C(Cl)C2=NC=CC=C12 33820 [1,0,0,0,0,0|3,0,0]=4 56 B13R2.371 OC1=CC=C(F)C2=CC=CN=C12 F16223 [1,0,0,0,0,0|3,0,0]=4 57 B13R2.371 [O-][N+]1=CC=C(Cl)C2=CC=CC=C21 AC9091 [1,0,0,0,0,0|2,0,1]=4 58 B15R2.6124 COC1=C(Br)C=C(Br)C2=CC=CC=C21 W18345 [0,1,0,0,0,0|3,0,0]=4 59 B15R2.9032 CC1=[N+]([O-])C2=C(C=CC=C2)N(O)C1=O F31373 [0,1,0,0,0,0|2,0,1]=4 60 B15R2.13626 CN1C(=O)OC(=O)C2=C(Cl)C=CC=C21 Y10763 [0,1,0,0,0,0|1,0,1]=3 61 B15R2.63814 CN1C(=O)C=C(O)C2=CC(Cl)=NC=C21 W11249 [0,1,0,0,0,0|1,0,0]=2 62 B15R2.63927 CN1C(=O)NC(=O)C2=C1C=C(Br)C=C2 D96994 [0,1,0,0,0,0|1,0,1]=3 63 B13R1.11 CNC(=O)CC(=O)C1=CC=CC=C1 32568 [0,0,1,0,0,0|0,0,2]=3 64 B13R2.3085 CN1C(=O)N(C)C2=C1C=CC=C2 78591 [0,0,0,0,1,0|2,0,0]=3 65 B13R2.3085 CN1C(=O)[C@@H](N)C2=C1C=CC=C2 71614 [0,0,0,0,1,0|1,0,1]=3 66 B12R1.27 COC(=O)\C=C\C1=CN=CC=C1 N10425 [1,0,1,0,0,0|2,0,0]=4 67 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 84827 [1,0,1,0,0,0|2,0,0]=4 68 B12R1.75 CC(=O)NC1=C(C=O)C=CC=C1 T70224 [1,0,1,0,0,0|0,0,2]=4 69 B12R2.24 FC1=NC2=CC=CC=C2C=C1 H10138 [2,0,0,0,0,0|1,0,1]=4 70 B12R2.24 IC1=NC2=CC=CC=C2C=C1 71122 [2,0,0,0,0,0|1,0,1]=4 71 B12R2.24 O=C1C=CC2=CC=CN=C2N1 P11962 [2,0,0,0,0,0|1,0,0]=3 72 B12R2.24 O=C1C=CC2=NC=CN=C2N1 26897 [2,0,0,0,0,0|2,0,0]=4 73 B12R2.24 O=C1C=NC2=CC=CN=C2N1 O12061 [2,0,0,0,0,0|2,0,0]=4 74 B12R2.24 O=C1NCC2=C(C=CC=C2)N1 C76098 [2,0,0,0,0,0|1,0,1]=4 75 B12R2.24 [O-]C1=CC2=CC=CC=C2C=C1 A12912 [2,0,0,0,0,0|1,0,1]=4 76 B12R2.1081 CC1=CN=CC2=CC=CC=C12 84296 [2,0,0,0,0,0|2,0,0]=4 77 B12R2.1081 FC1=CC=NC2=CC=CC=C12 C13619 [2,0,0,0,0,0|1,0,1]=4 78 B12R2.1081 O=C1C=CNC2=C1C=NC=C2 F13211 [2,0,0,0,0,0|1,0,1]=4 79 B12R2.1081 OC1=CC=CC2=CC=NC=C12 F13966 [2,0,0,0,0,0|2,0,0]=4 80 B12R2.1081 OC1=CC=NC2=CC=CN=C12 64521 [2,0,0,0,0,0|1,0,1]=4 81 B14R1.85 COC(=O)\C(C)=C(\Br)C1=CC=CC=C1 D81300 [0,1,1,0,0,0|2,0,0]=4 82 B14R2.92 NC1=C(C=O)C=CC2=CC=CC=C21 D85347 [1,1,0,0,0,0|2,0,0]=4 83 B14R2.92 O=CC1=C(O)C2=CC=CC=C2C=C1 W17445 [1,1,0,0,0,0|2,0,0]=4 84 B14R2.203 COC1=C(Br)C=CC2=CC=CC=C21 F21158 [1,1,0,0,0,0|2,0,0]=4 85 B14R2.203 COC1=C(C)C=CC2=CC=CC=C21 C72616 [1,1,0,0,0,0|2,0,0]=4 86 B14R2.4513 CN1C(=O)C=CC2=C1C=C(Br)C=C2 53519 [1,1,0,0,0,0|0,0,0]=2 87 B14R2.4513 CN1C(=O)C=CC2=C1N=C(Cl)C=C2 AC2172 [1,1,0,0,0,0|1,0,0]=3 88 B14R2.4513 CN1C(=O)C=NC2=C1C=C(Br)C=C2 27149 [1,1,0,0,0,0|1,0,0]=3 89 B14R2.8038 CN1C(=O)C=CC2=C(Br)C=CC=C21 87109 [1,1,0,0,0,0|0,0,0]=2 90 B14R2.8038 CN1C(=O)CCC2=C(Cl)C=CC=C21 66295 [1,1,0,0,0,0|0,0,2]=4 91 B14R2.8188 CN1C(=O)C(=O)NC2=C1C=CC=N2 D83397 [1,1,0,0,0,0|2,0,0]=4 92 B14R2.28523 CN1C(=O)COC2=C1C(N)=CC=C2 79132 [1,1,0,0,0,0|1,0,1]=4 93 B14R2.29369 CN1C(=O)CCC2=C1C=CC(Br)=C2 P12304 [1,1,0,0,0,0|0,0,2]=4 94 B14R2.29369 CN1C(=O)CNC2=C1C=CC(Cl)=C2 C76579 [1,1,0,0,0,0|1,0,1]=4 95 B14R2.1019 O=CC1=CC2=CC=CC=C2C(Br)=C1 FD10651 [1,1,0,0,0,0|2,0,0]=4 96 B14R2.1146 COC1=CC(=O)OC2=C1C=CC=C2 D73288 [1,1,0,0,0,0|1,0,0]=3 97 B14R2.8045 CC1=CC(=O)NC2=C(Cl)C=CC=C12 C75573 [1,1,0,0,0,0|1,0,0]=3 98 B14R2.8045 CC1=CC=CC2=C1OC(=O)C=C2O AC1961 [1,1,0,0,0,0|1,0,0]=3 99 B14R2.8045 O=C1C=C(O)C2=CC=CC(F)=C2N1 D80238 [1,1,0,0,0,0|0,0,0]=2 100 B14R2.8045 O=C1C=C(O)C2=CC=CC(F)=C2O1 AC2188 [1,1,0,0,0,0|1,0,0]=3 101 B14R2.8045 O=C1NC(=O)C2=CC=CC(F)=C2N1 F15669 [1,1,0,0,0,0|1,0,1]=4 102 B14R2.8045 O=C1NC2=C(F)C=CC=C2C(=O)O1 56559 [1,1,0,0,0,0|1,0,1]=4 103 B14R2.8235 CC1=CC(=O)NC2=C1C=C(Cl)C=C2 27291 [1,1,0,0,0,0|1,0,0]=3 104 B14R2.8235 CC1=CC2=C(C=C1)NC(=O)NC2=O F14746 [1,1,0,0,0,0|1,0,1]=4 105 B14R2.8235 CC1=CC2=C(C=C1)NC(O)=CC2=O 35971 [1,1,0,0,0,0|0,0,2]=4 106 B14R2.8235 O=C1C=C(O)C2=C(C=CC(Br)=C2)O1 T70895 [1,1,0,0,0,0|1,0,0]=3 107 B14R2.8235 O=C1C=C(O)C2=C(C=CC(Cl)=C2)O1 A12216 [1,1,0,0,0,0|1,0,0]=3 108 B14R2.8235 O=C1C=C(O)C2=C(C=CC(F)=C2)O1 C73780 [1,1,0,0,0,0|1,0,0]=3 109 B14R2.8235 O=C1NC(=O)C2=C(C=CC(Cl)=C2)N1 11641 [1,1,0,0,0,0|1,0,1]=4 110 B14R2.8235 O=C1NC(=O)C2=C(C=CC(I)=C2)N1 VT1417 [1,1,0,0,0,0|1,0,1]=4 111 B14R2.8235 O=C1NC(=O)C2=C(C=CC(O)=C2)N1 69879 [1,1,0,0,0,0|1,0,1]=4 112 B14R2.8235 OC1=CC(O)=C2C=C(F)C=CC2=N1 F19188 [1,1,0,0,0,0|0,0,2]=4 113 B14R2.28480 O=C1C=C(O)C2=C(Cl)C=CC=C2O1 AC2063 [1,1,0,0,0,0|1,0,0]=3 114 B14R2.28480 O=C1NC(=O)C2=C(Br)C=CC=C2N1 52966 [1,1,0,0,0,0|1,0,1]=4 115 B14R2.28480 O=C1NC2=CC=CC(Br)=C2C(=O)O1 91450 [1,1,0,0,0,0|1,0,1]=4 116 B14R2.29365 CC1=CC(=O)NC2=C1C=CC(Br)=C2 C10423 [1,1,0,0,0,0|1,0,0]=3 117 B14R2.29365 CC1=CC(=O)NC2=C1C=CC(N)=C2 31311 [1,1,0,0,0,0|1,0,0]=3 118 B14R2.29365 CC1=CC(=O)OC2=C1C=CC(S)=C2 C14658 [1,1,0,0,0,0|2,0,0]=4 119 B14R2.29365 CC1=CC2=C(C=C1)C(O)=CC(=O)O2 T71996 [1,1,0,0,0,0|1,0,0]=3 120 B14R2.29365 CC1=CC=C2C(O)=CC(=O)NC2=N1 C11430 [1,1,0,0,0,0|1,0,0]=3 121 B14R2.29365 NC1=CC2=C(C=C1)C(=O)NC(=O)N2 36355 [1,1,0,0,0,0|1,0,1]=4 122 B14R2.29365 O=C1C=C(O)C2=C(C=C(F)C=C2)O1 D76211 [1,1,0,0,0,0|1,0,0]=3 123 B14R2.29365 O=C1C=C(O)C2=C(C=C(O)C=C2)O1 T70518 [1,1,0,0,0,0|1,0,0]=3 124 B14R2.29365 O=C1NC(=O)C2=C(C=C(Cl)C=C2)N1 57412 [1,1,0,0,0,0|1,0,1]=4 125 B14R2.29365 O=C1NC(=O)C2=C(C=C(F)C=C2)N1 F11030 [1,1,0,0,0,0|1,0,1]=4 126 B14R2.29365 O=C1NC(=O)C2=C(C=C(I)C=C2)N1 F21427 [1,1,0,0,0,0|1,0,1]=4 127 B14R2.1131 CC1=CC=C(C=O)C2=CC=CC=C12 D87822 [1,1,0,0,0,0|1,0,1]=4 128 B14R2.1131 CC1=CC=C(CBr)C2=CC=CC=C12 A10153 [1,1,0,0,0,0|2,0,0]=4 129 B14R2.1131 CC1=CC=C(CO)C2=CC=CC=C12 AB1531 [1,1,0,0,0,0|1,0,0]=3 130 B14R2.1131 COC1=CC=C(O)C2=NC=CC=C12 76306 [1,1,0,0,0,0|2,0,0]=4 131 B14R2.1131 FC1=CC=C(CBr)C2=CC=CC=C12 FD6068 [1,1,0,0,0,0|2,0,0]=4 132 B14R2.1131 O=CC1=CC=C(O)C2=CC=CC=C12 AC6805 [1,1,0,0,0,0|1,0,1]=4 133 B14R2.1131 OCC1=CC=C(Br)C2=CC=CC=C12 AB1258 [1,1,0,0,0,0|2,0,0]=4 134 B14R2.1131 OCC1=CC=C(O)C2=NC=CC=C12 62956 [1,1,0,0,0,0|2,0,0]=4 135 B14R2.8051 CC1=CC=C(Br)C2=C(C)C=CC=C12 D96891 [1,1,0,0,0,0|2,0,0]=4 136 B14R2.8751 CC1=C2C=CC(=O)OC2=C(O)C=C1 C11425 [1,1,0,0,0,0|2,0,0]=4 137 B14R2.8751 OC1=CC=C2C(O)=CC=C(F)C2=C1 W12139 [1,1,0,0,0,0|2,0,0]=4 138 B14R2.8716 CN1C(=O)C(=O)C2=C1C=C(Br)C=C2 82304 [0,1,0,0,1,0|0,0,1]=3 139 B14R2.8716 CN1C(=O)C(=O)C2=C1C=CC(Br)=C2 82171 [0,1,0,0,1,0|0,0,1]=3 140 B14R2.8716 CN1C(=O)C(=O)C2=C1C=CC(Cl)=C2 36604 [0,1,0,0,1,0|0,0,1]=3 141 B14R2.8716 CN1C(=O)N(C)C2=C1C=CC(F)=C2 W13837 [0,1,0,0,1,0|2,0,0]=4 142 B14R2.8716 CN1C(=O)N(C)C2=C1C=CC(N)=C2 C77632 [0,1,0,0,1,0|2,0,0]=4 143 B14R2.8716 C[C@@H]1C(=O)N(C)C2=C1C=CC(Br)=C2 87613 [0,1,0,0,1,0|1,0,1]=4 144 B14R2.19306 CCN1C(=O)C(=O)C2=C1N=CC=C2 52217 [0,1,0,0,1,0|1,0,1]=4 145 B14R2.19306 CN1C(Cl)=C(C=O)C2=C1C=CC=C2 W18841 [0,1,0,0,1,0|1,0,1]=4 146 B14R2.28485 CN1C(=O)C(=O)C2=C(Br)C=CC=C21 BL002571 [0,1,0,0,1,0|0,0,1]=3 147 B16R2.35373 COC1=C(C=O)C=C(Br)C2=CC=CC=C21 W17450 [0,2,0,0,0,0|2,0,0]=4 148 B16R2.37410 COC1=CC(Br)=C(OC)C2=CC=CC=C12 AB8352 [0,2,0,0,0,0|2,0,0]=4 149 B16R2.8682 CN1C(=O)C(C=O)=C(Cl)C2=C1C=CC=C2 C77327 [0,2,0,0,0,0|1,0,0]=3 150 B16R2.8682 CSC1=C(O)C2=C(C=CC=C2)C(=O)C1=O D94307 [0,2,0,0,0,0|2,0,0]=4 151 B16R2.36854 COC1=CC=CC2=C1C(=O)OC(=O)N2C C12354 [0,2,0,0,0,0|1,0,1]=4 152 B16R2.36854 COC1=CC=CC2=C1C(O)=CC(=O)N2C C11605 [0,2,0,0,0,0|0,0,0]=2 153 B14R2.260 CN1N=C(C2=CC=CC=C2)C=C1Br F51198 [0,0,1,1,0,0|2,0,0]=4 154 B14R2.98 COC1=C(C2=CC=CO2)C=CC=C1 C74967 [0,0,1,1,0,0|2,0,0]=4 155 B14R2.24350 CN1C=CC2=CC=CC(C(=O)O)=C21 30721 [0,0,1,1,0,0|2,0,0]=4 156 B12R2.18 CC1=NC2=C(C=CC=C2)N1C T70720 [1,0,0,0,1,0|2,0,0]=4 157 B12R2.18 CN1C(=O)CC2=C1C=NC=C2 P21083 [1,0,0,0,1,0|1,0,1]=4 158 B12R2.18 CN1C(=O)NC2=C1N=CC=C2 C74108 [1,0,0,0,1,0|2,0,0]=4 159 B14R2.287 O=C1CCC(=O)C2=C(C=CC=C2)N1 P10220 [1,0,0,0,0,1|0,0,2]=4