0 B13R2.369 CC1=C(C=C2C=CC=NC2=C1)O ACS020406 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.369 CC1OC2=C(NC1=O)C=CC=C2 ACS023948 [0,0,0,0,0,0|2,0,2]=4 2 B13R2.369 ClC1=NC2=CC=CC=C2N=C1Cl ACS017210 [0,0,0,0,0,0|4,0,0]=4 3 B12R2.24 BrC1=CC=C2C=CC=NC2=C1 ACS011513 [1,0,0,0,0,0|3,0,0]=4 4 B12R2.24 BrC1=CC=C2C=CN=CC2=C1 ACS019275 [1,0,0,0,0,0|3,0,0]=4 5 B12R2.24 BrC=1C=C2C=CN=CC2=CC1 ACS011822 [1,0,0,0,0,0|3,0,0]=4 6 B12R2.24 BrC=1C=NC2=NC=CC=C2C1 ACS019320 [1,0,0,0,0,0|3,0,0]=4 7 B12R2.24 C1=C(C=CC2=CC=CC=C12)O ACS015497 [1,0,0,0,0,0|1,0,0]=2 8 B12R2.24 C1=NC=CC2=CC(=CC=C12)N ACS020640 [1,0,0,0,0,0|3,0,0]=4 9 B12R2.24 C1=NC=CC2=CC(=CC=C12)O ACS019274 [1,0,0,0,0,0|2,0,0]=3 10 B12R2.24 C1=NC=CC2=CC=C(C=C12)N ACS018637 [1,0,0,0,0,0|3,0,0]=4 11 B12R2.24 C1=NC=CC2=CC=C(C=C12)O ACS017356 [1,0,0,0,0,0|2,0,0]=3 12 B12R2.24 CC1=CC=C2C=CC=NC2=C1 ACS010846 [1,0,0,0,0,0|3,0,0]=4 13 B12R2.24 CC1=NC2=NC=CC=C2C=C1 ACS011598 [1,0,0,0,0,0|3,0,0]=4 14 B12R2.24 Cc1ccc2ccccc2n1 ACS015496 [1,0,0,0,0,0|2,0,0]=3 15 B12R2.24 FC=1C=C2C=CN=CC2=CC1 ACF017349 [1,0,0,0,0,0|3,0,0]=4 16 B12R2.24 IC=1C=C2C=CC=NC2=CC1 ACS017174 [1,0,0,0,0,0|3,0,0]=4 17 B12R2.24 N1=C(C=CC2=NC=CC=C12)O ACS019147 [1,0,0,0,0,0|2,0,1]=4 18 B12R2.24 N1C(C=CC2=CN=CC=C12)=O ACS019125 [1,0,0,0,0,0|2,0,0]=3 19 B12R2.24 NC1=CC2=CC=CC=C2C=C1 ACS015421 [1,0,0,0,0,0|2,0,0]=3 20 B12R2.24 O1CC(NC2=C1C=CC=C2)=O ACS011909 [1,0,0,0,0,0|1,0,2]=4 21 B12R2.24 c1ccc2c(c1)CCC(=O)O2 ACS015483 [1,0,0,0,0,0|0,0,2]=3 22 B14R2.1128 FC1=C(C=C2C=CC=NC2=C1)CO ACF023315 [0,1,0,0,0,0|3,0,0]=4 23 B12R1.43 C1(=CC=CC=C1)C=C(C)[N+](=O)[O-] ACS017192 [0,0,1,0,0,0|2,0,1]=4 24 B12R1.43 C1(=CC=CC=C1)NC(C(=O)O)C ACS011814 [0,0,1,0,0,0|2,0,1]=4 25 B12R2.18 CN1NC2=CC=CC=C2C1=O ACS018891 [0,0,0,0,1,0|3,0,0]=4 26 B12R2.100 FC1=C(C=C2C=CNC2=C1)O ACF022125 [0,0,0,0,1,0|3,0,0]=4 27 B11R1.40 C1(=CC=CC=C1)OC(NC)=O ACS017176 [1,0,1,0,0,0|1,0,1]=4 28 B11R1.91 C(=C/C1=CC=CC=C1)\B(O)O ACS019300 [1,0,1,0,0,0|1,0,1]=4 29 B11R1.91 C(C=CC1=CC=CC=C1)(=O)O ACS013027 [1,0,1,0,0,0|0,0,0]=2 30 B11R1.91 C1(=CC=CC=C1)C=CB(O)O ACS020908 [1,0,1,0,0,0|1,0,1]=4 31 B11R1.91 C1(=CC=CC=C1)NCC(=O)O ACS024393 [1,0,1,0,0,0|1,0,1]=4 32 B11R1.91 N1=CC(=CC=C1)\C=C\C(=O)O ACS011792 [1,0,1,0,0,0|1,0,0]=3 33 B11R1.91 c1cc(cnc1)\C=C\C(=O)O ACS010540 [1,0,1,0,0,0|1,0,0]=3 34 B11R1.86 BrC1=C(C=CC=C1)CC(=O)O ACS012928 [1,0,1,0,0,0|1,0,1]=4 35 B11R1.86 CC1=C(C=CC=C1)CC(=O)O ACS012985 [1,0,1,0,0,0|1,0,1]=4 36 B11R1.86 CC1=C(C=CC=C1)OC(C)=O ACS012685 [1,0,1,0,0,0|0,0,2]=4 37 B11R1.86 IC1=C(C=CC=C1)CC(=O)O ACS012978 [1,0,1,0,0,0|1,0,1]=4 38 B11R1.86 OC1=C(C=CC=C1)CC(=O)O ACS012975 [1,0,1,0,0,0|0,0,1]=3 39 B11R2.20 C1=NC=CC2=CC=CC=C12 ACS015488 [2,0,0,0,0,0|2,0,0]=4 40 B11R2.20 N1=CC=CC2=CN=CC=C12 ACS019270 [2,0,0,0,0,0|2,0,0]=4 41 B11R2.20 N1=CC=CC2=NC=CC=C12 ACS019642 [2,0,0,0,0,0|2,0,0]=4 42 B13R2.32 BrC1=C(C2=CC=CC=C2C=C1)O ACS020045 [1,1,0,0,0,0|2,0,0]=4 43 B13R2.32 BrC1=C(C=CC2=CC=CC=C12)N ACS020343 [1,1,0,0,0,0|2,0,0]=4 44 B13R2.32 BrC=1C(=CC=C2C=CN=CC12)O ACS020733 [1,1,0,0,0,0|2,0,0]=4 45 B13R2.57 C1=C(C=CC2=CC=CC=C12)CN ACS016020 [1,1,0,0,0,0|2,0,0]=4 46 B13R2.57 ClCC1=CC2=CC=CC=C2C=C1 ACS017163 [1,1,0,0,0,0|2,0,0]=4 47 B13R2.57 N1=CC=CC2=CC(=CC=C12)C=O ACS011306 [1,1,0,0,0,0|2,0,0]=4 48 B13R2.155 BrC1=CC=C2C=CC(=NC2=C1)Cl ACS017361 [1,1,0,0,0,0|2,0,0]=4 49 B13R2.155 BrC1=CC=C2C=CC(=NC2=C1)N ACS020497 [1,1,0,0,0,0|2,0,0]=4 50 B13R2.155 OC1=CC=C2C=CC(NC2=C1)=O ACS010856 [1,1,0,0,0,0|1,0,0]=3 51 B13R2.162 BrC=1C=CC=C2C=CC(=NC12)N ACS019117 [1,1,0,0,0,0|2,0,0]=4 52 B13R2.162 BrC=1C=CC=C2C=CC(NC12)=O ACS017354 [1,1,0,0,0,0|1,0,0]=3 53 B13R2.162 ClC1=NC=CC2=CC=C(C=C12)O ACS020752 [1,1,0,0,0,0|2,0,0]=4 54 B13R2.328 BrC1=CC(=CC2=CC=CC=C12)I ACS020897 [1,1,0,0,0,0|2,0,0]=4 55 B13R2.328 BrC1=CC(=NC2=CC=CC=C12)N ACS017351 [1,1,0,0,0,0|2,0,0]=4 56 B13R2.328 BrC1=NC2=CC=CC=C2C(=C1)N ACS018879 [1,1,0,0,0,0|2,0,0]=4 57 B13R2.328 ClC1=CC(=NC2=CC=CC=C12)N ACS019193 [1,1,0,0,0,0|2,0,0]=4 58 B13R2.328 NC1=NC2=CC=CC=C2C(=C1)O ACS019189 [1,1,0,0,0,0|2,0,0]=4 59 B13R2.328 OC1=CC(=CC2=CC=CC=C12)O ACS024035 [1,1,0,0,0,0|1,0,0]=3 60 B13R2.3683 BrC1=CC2=CC=C(C=C2C=C1)F ACF015437 [1,1,0,0,0,0|2,0,0]=4 61 B13R2.3683 BrC=1C=C2C=CC(=CC2=CC1)O ACS015440 [1,1,0,0,0,0|1,0,0]=3 62 B13R2.3683 BrC=1C=C2C=CC(NC2=CC1)=O ACS017355 [1,1,0,0,0,0|1,0,0]=3 63 B13R2.3683 BrC=1C=C2C=NC(NC2=CC1)=O ACS023890 [1,1,0,0,0,0|2,0,0]=4 64 B13R2.3683 BrC=1C=C2CCC(OC2=CC1)=O ACS020481 [1,1,0,0,0,0|0,0,2]=4 65 B13R2.3683 BrC=1C=NC2=CC(=CC=C2C1)I ACS020896 [1,1,0,0,0,0|2,0,0]=4 66 B13R2.3683 CC=1C=C2C=CC(=CC2=CC1)O ACS019324 [1,1,0,0,0,0|1,0,0]=3 67 B13R2.3683 ClC=1C=C2C=CC(=CC2=CC1)O ACS017384 [1,1,0,0,0,0|1,0,0]=3 68 B13R2.3683 FC=1C=C2C=CC(=CC2=CC1)N ACF017273 [1,1,0,0,0,0|2,0,0]=4 69 B13R2.3683 FC=1C=C2C=CC(=CC2=CC1)O ACF017274 [1,1,0,0,0,0|1,0,0]=3 70 B13R2.3683 FC=1C=C2C=CC(=NC2=CC1)C ACF015475 [1,1,0,0,0,0|2,0,0]=4 71 B13R2.3683 NC1=CC2=CC=C(C=C2C=C1)Br ACS015412 [1,1,0,0,0,0|2,0,0]=4 72 B13R2.3683 NC=1C=C2C=CC(NC2=CC1)=O ACS019131 [1,1,0,0,0,0|1,0,0]=3 73 B13R2.3683 NC=1C=C2N=CC(NC2=CC1)=O ACS020816 [1,1,0,0,0,0|2,0,0]=4 74 B13R2.5179 BrC1=C2C=CC(=NC2=CC=C1)N ACS017350 [1,1,0,0,0,0|2,0,0]=4 75 B13R2.5179 BrC=1C=CC=C2C=C(C=NC12)I ACS018903 [1,1,0,0,0,0|2,0,0]=4 76 B13R2.5179 CC=1C=C2C=CC=C(C2=CC1)N ACS020770 [1,1,0,0,0,0|2,0,0]=4 77 B13R2.5179 ClC=1C=CN=C2C=C(C=NC12)O ACS020599 [1,1,0,0,0,0|2,0,0]=4 78 B13R2.5179 FC=1C=C2C=CC=C(C2=CC1)N ACF020819 [1,1,0,0,0,0|2,0,0]=4 79 B13R2.5179 FC=1C=CC=C2C=C(C=NC12)I ACF023734 [1,1,0,0,0,0|2,0,0]=4 80 B13R2.5179 NC1=C2C=CC(=NC2=CC=C1)C ACS015418 [1,1,0,0,0,0|2,0,0]=4 81 B13R2.135 BrC1=C(C2=C(S1)C=CC=C2)C=O ACS020437 [0,1,0,0,1,0|2,0,0]=4 82 B13R2.3028 ClC=1C=C2C(C(NC2=CC1)=O)=O ACS011581 [0,1,0,0,1,0|1,0,1]=4 83 B13R2.3028 FC=1C=C2C(C(NC2=CC1)=O)=O ACF010210 [0,1,0,0,1,0|1,0,1]=4 84 B13R2.3085 ON1C(C=2C(C1=O)=CC=CC2)=O ACS011841 [0,1,0,0,1,0|1,0,0]=3 85 B13R2.4825 FC=1C=CC=C2C(C(NC12)=O)=O ACF015474 [0,1,0,0,1,0|1,0,1]=4 86 B15R2.984 ClC1=NC2=CC=CC=C2C=C1B(O)O ACS012272 [0,2,0,0,0,0|2,0,0]=4 87 B13R2.435 O1C(=NC2=C1C=CC=C2)C(=O)O ACS019479 [0,0,1,1,0,0|1,0,0]=3 88 B13R2.435 S1C(=CC2=NC=CC=C21)C(=O)O ACS018423 [0,0,1,1,0,0|1,1,0]=4 89 B13R2.435 S1C(=CC=2C1=CN=CC2)C(=O)O ACS017727 [0,0,1,1,0,0|1,1,0]=4 90 B13R2.435 S1C(=CC=2C1=NC=CC2)C(=O)O ACS017496 [0,0,1,1,0,0|1,1,0]=4 91 B13R2.435 S1C(=CC=2C=NC=CC21)C(=O)O ACS017501 [0,0,1,1,0,0|1,1,0]=4 92 B11R1.36 OC(C(=O)O)C1=CC=CC=C1 ACS012974 [0,0,1,0,1,0|0,0,1]=3 93 B11R2.1 BrC1=COC2=C1C=CC=C2 ACS017484 [1,0,0,0,1,0|1,0,0]=3 94 B11R2.1 C1(NCC2=CC=CC=C12)=O ACS017554 [1,0,0,0,1,0|1,0,1]=4 95 B11R2.1 C1(OCC2=C1C=CC=C2)=O ACS015427 [1,0,0,0,1,0|1,0,1]=4 96 B11R2.1 ClC1=NOC2=C1C=CC=C2 ACS018862 [1,0,0,0,1,0|2,0,0]=4 97 B11R2.1 N1NC(C2=CC=CC=C12)=O ACS017555 [1,0,0,0,1,0|2,0,0]=4 98 B11R2.1 O1N=C(C2=C1C=CC=C2)O ACS018863 [1,0,0,0,1,0|1,0,0]=3 99 B11R2.10 BrC=1OC2=C(N1)C=CC=C2 ACS019241 [1,0,0,0,1,0|2,0,0]=4 100 B11R2.10 C1C(CC2=CC=CC=C12)=O ACS015485 [1,0,0,0,1,0|1,0,1]=4 101 B11R2.10 CC=1CC2=CC=CC=C2C1 ACS010787 [1,0,0,0,1,0|1,0,1]=4 102 B11R2.10 CC=1NC2=CC=CC=C2C1 ACS011044 [1,0,0,0,1,0|2,0,0]=4 103 B11R2.10 O1C(CC2=C1C=CC=C2)=O ACS012026 [1,0,0,0,1,0|0,0,1]=3 104 B11R2.10 SC=1OC2=C(N1)C=CC=C2 ACS011162 [1,0,0,0,1,0|1,1,0]=4 105 B11R2.36 N1C=CC=2C1=NC=C(C2)O ACS019955 [1,0,0,0,1,0|2,0,0]=4 106 B11R2.36 O1C=CC2=C1C=C(C=C2)O ACS017489 [1,0,0,0,1,0|2,0,0]=4 107 B11R2.36 O1C=CC2=C1C=CC(=C2)O ACS020186 [1,0,0,0,1,0|2,0,0]=4 108 B11R2.36 OC=1C=C2C=CNC2=CC1 ACS011023 [1,0,0,0,1,0|2,0,0]=4 109 B11R2.36 S1C2=C(C=C1)C=CC(=C2)O ACS018372 [1,0,0,0,1,0|2,0,0]=4