0 B14R2.781 C(C)(=O)C1=CC2=CC=CC=C2C=C1 ACS015405 [0,0,0,0,0,0|0,0,0]=0 1 B14R2.781 C(C)(=O)C=1C=C2C=CC=NC2=CC1 ACS023886 [0,0,0,0,0,0|1,0,0]=1 2 B14R2.781 C1=C(C=CC2=CC=CC=C12)B(O)O ACS010925 [0,0,0,0,0,0|2,0,1]=3 3 B14R2.781 C1=NC=CC2=CC(=CC=C12)B(O)O ACS019686 [0,0,0,0,0,0|3,0,1]=4 4 B14R2.781 C1=NC=CC2=CC=C(C=C12)B(O)O ACS019795 [0,0,0,0,0,0|3,0,1]=4 5 B14R2.781 N1=C(C=CC2=CC=NC=C12)C(=O)O ACS019612 [0,0,0,0,0,0|3,0,0]=3 6 B14R2.781 N1=CC=CC2=CC(=CC=C12)C(=O)O ACS023726 [0,0,0,0,0,0|2,0,0]=2 7 B14R2.781 [N+](=O)([O-])C1=CC=C2C=CN=CC2=C1 ACS018638 [0,0,0,0,0,0|3,0,0]=3 8 B13R2.57 C1=C(C=CC2=CC=CC=C12)CN ACS016020 [1,0,0,0,0,0|1,0,1]=3 9 B13R2.57 ClCC1=CC2=CC=CC=C2C=C1 ACS017163 [1,0,0,0,0,0|1,0,1]=3 10 B13R2.57 N1=CC=CC2=CC(=CC=C12)C=O ACS011306 [1,0,0,0,0,0|1,0,0]=2 11 B15R2.627 O=C1C(=CNC2=CC=CC=C12)C(=O)O ACS012195 [0,1,0,0,0,0|2,0,0]=3 12 B15R2.627 OC1=C(C=NC2=CC=CC=C12)[N+](=O)[O-] ACS015481 [0,1,0,0,0,0|3,0,0]=4 13 B15R2.4441 C1=C(C=CC2=CC=CC=C12)S(=O)(=O)F ACF024266 [0,1,0,0,0,0|2,0,0]=3 14 B15R2.4441 C1=C(C=CC2=CC=CC=C12)S(=O)(=O)N ACS012308 [0,1,0,0,0,0|2,0,0]=3 15 B15R2.4441 C1=C(C=CC2=CC=CC=C12)S(=O)(=O)O ACS013362 [0,1,0,0,0,0|2,0,0]=3 16 B15R2.7174 ClC=1C=CC2=C(C=C(CO2)C(=O)O)C1 ACS023722 [0,1,0,0,0,0|2,0,1]=4 17 B15R2.7174 OC1=CC=C2C=CC(=CC2=C1)C(=O)O ACS017382 [0,1,0,0,0,0|1,0,0]=2 18 B15R2.7180 ClC=1C=C2C=CC(=CC2=CC1)C(=O)O ACS019334 [0,1,0,0,0,0|1,0,0]=2 19 B15R2.7180 OC=1C=C2C=CC(=CC2=CC1)B(O)O ACS017910 [0,1,0,0,0,0|2,0,1]=4 20 B15R2.7180 [N+](=O)([O-])C=1C=C2C=CC(NC2=CC1)=O ACS019130 [0,1,0,0,0,0|3,0,0]=4 21 B15R2.7180 c1cc(cc2c1cc(cc2)O)C(=N)N ACS023677 [0,1,0,0,0,0|2,0,0]=3 22 B15R2.61353 ClC1=NC=CC2=CC=C(C=C12)[N+](=O)[O-] ACS019267 [0,1,0,0,0,0|3,0,0]=4 23 B15R2.61353 [N+](=O)([O-])C1=CC=C2C=CN=C(C2=C1)N ACS019268 [0,1,0,0,0,0|3,0,0]=4 24 B15R2.61353 [N+](=O)([O-])C1=CC=C2C=CNC(C2=C1)=O ACS019266 [0,1,0,0,0,0|3,0,0]=4 25 B15R2.61353 [N+](=O)([O-])C=1C=CC2=C(C(C=CO2)=O)C1 ACS015498 [0,1,0,0,0,0|3,0,0]=4 26 B13R1.74 CN(C1=CC=C(C=CC=O)C=C1)C ACS010256 [0,0,1,0,0,0|3,0,0]=4 27 B13R2.72 N1C=C(C2=CC=CC=C12)C(=O)O ACS016918 [0,0,0,0,1,0|2,0,0]=3 28 B13R2.72 N1N=C(C2=CC=CC=C12)C(C)=O ACS020943 [0,0,0,0,1,0|2,0,0]=3 29 B13R2.430 C(C)(=O)C1=CC=C2C=CNC2=C1 ACS011763 [0,0,0,0,1,0|1,0,0]=2 30 B13R2.430 CC(=O)c1ccc2c(c1)OCO2 ACS015880 [0,0,0,0,1,0|2,0,1]=4 31 B13R2.430 N1C=CC2=CC=C(C=C12)C(=O)O ACS016571 [0,0,0,0,1,0|2,0,0]=3 32 B13R2.430 N=1C=CN2C1C=C(C=C2)C(=O)O ACS020182 [0,0,0,0,1,0|3,0,0]=4 33 B13R2.430 N=1C=CN2C1C=C(C=C2)C(C)=O ACS020989 [0,0,0,0,1,0|2,0,0]=3 34 B13R2.430 O1C=CC2=C1C=C(C=C2)C(=O)O ACS017488 [0,0,0,0,1,0|2,0,0]=3 35 B13R2.430 O1C=CC2=C1C=CC(=C2)C(=O)O ACS017487 [0,0,0,0,1,0|2,0,0]=3 36 B13R2.430 O1CCC2=C1C=C(C=C2)C(C)=O ACS019555 [0,0,0,0,1,0|1,0,2]=4 37 B13R2.430 S1C2=C(C=C1)C=C(C=C2)C(=O)O ACS017464 [0,0,0,0,1,0|2,0,0]=3 38 B13R2.430 S1C2=C(C=C1)C=CC(=C2)C(=O)O ACS017465 [0,0,0,0,1,0|2,0,0]=3 39 B13R2.430 [N+](=O)([O-])C=1C=CC2=C(C=CO2)C1 ACS020505 [0,0,0,0,1,0|3,0,0]=4 40 B13R2.435 C(C)(=O)C1CC2=CC=CC=C2C1 ACS015403 [0,0,0,0,1,0|0,0,3]=4 41 B13R2.435 O1C(=NC2=C1C=CC=C2)C(=O)O ACS019479 [0,0,0,0,1,0|3,0,0]=4 42 B13R2.435 S1C(=CC2=NC=CC=C21)C(=O)O ACS018423 [0,0,0,0,1,0|3,0,0]=4 43 B13R2.435 S1C(=CC=2C1=CN=CC2)C(=O)O ACS017727 [0,0,0,0,1,0|3,0,0]=4 44 B13R2.435 S1C(=CC=2C1=NC=CC2)C(=O)O ACS017496 [0,0,0,0,1,0|3,0,0]=4 45 B13R2.435 S1C(=CC=2C=NC=CC21)C(=O)O ACS017501 [0,0,0,0,1,0|3,0,0]=4 46 B12R2.24 BrC1=CC=C2C=CC=NC2=C1 ACS011513 [2,0,0,0,0,0|2,0,0]=4 47 B12R2.24 BrC1=CC=C2C=CN=CC2=C1 ACS019275 [2,0,0,0,0,0|2,0,0]=4 48 B12R2.24 BrC=1C=C2C=CN=CC2=CC1 ACS011822 [2,0,0,0,0,0|2,0,0]=4 49 B12R2.24 C1=C(C=CC2=CC=CC=C12)O ACS015497 [2,0,0,0,0,0|0,0,1]=3 50 B12R2.24 C1=NC=CC2=CC(=CC=C12)N ACS020640 [2,0,0,0,0,0|2,0,0]=4 51 B12R2.24 C1=NC=CC2=CC(=CC=C12)O ACS019274 [2,0,0,0,0,0|1,0,1]=4 52 B12R2.24 C1=NC=CC2=CC=C(C=C12)N ACS018637 [2,0,0,0,0,0|2,0,0]=4 53 B12R2.24 C1=NC=CC2=CC=C(C=C12)O ACS017356 [2,0,0,0,0,0|1,0,1]=4 54 B12R2.24 CC1=CC=C2C=CC=NC2=C1 ACS010846 [2,0,0,0,0,0|1,0,0]=3 55 B12R2.24 CC1=NC2=NC=CC=C2C=C1 ACS011598 [2,0,0,0,0,0|2,0,0]=4 56 B12R2.24 Cc1ccc2ccccc2n1 ACS015496 [2,0,0,0,0,0|1,0,0]=3 57 B12R2.24 FC=1C=C2C=CN=CC2=CC1 ACF017349 [2,0,0,0,0,0|2,0,0]=4 58 B12R2.24 IC=1C=C2C=CC=NC2=CC1 ACS017174 [2,0,0,0,0,0|2,0,0]=4 59 B12R2.24 N1C(C=CC2=CN=CC=C12)=O ACS019125 [2,0,0,0,0,0|2,0,0]=4 60 B12R2.24 NC1=CC2=CC=CC=C2C=C1 ACS015421 [2,0,0,0,0,0|1,0,0]=3 61 B14R2.92 BrC=1C(=CC=C2C=CN=CC12)OC ACS020732 [1,1,0,0,0,0|2,0,0]=4 62 B14R2.134 OC1=CC=C2C=CC(=CC2=C1)C#N ACS017383 [1,1,0,0,0,0|1,0,1]=4 63 B14R2.1019 ClC=1C=C(C=C2C=CC=NC12)OC ACS012156 [1,1,0,0,0,0|2,0,0]=4 64 B14R2.2332 BrC=1C=C2C=CC(=NC2=CC1)OC ACS019467 [1,1,0,0,0,0|2,0,0]=4 65 B14R2.2332 FC=1C=C2C=CC(=NC2=CC1)C=O ACF022676 [1,1,0,0,0,0|1,0,0]=3 66 B14R2.95 N1=CC(=C2N1C=CC=C2)C(=O)OC ACS023669 [0,1,0,0,1,0|2,0,0]=4 67 B14R2.95 N1C=C(C2=CC=CC=C12)C(=O)NN ACS020852 [0,1,0,0,1,0|2,0,0]=4 68 B14R2.5816 FC=1C=C2C(=CNC2=CC1)C(=O)O ACF011092 [0,1,0,0,1,0|2,0,0]=4 69 B14R2.624 FC1=C(C=C2C=NNC2=C1)C(C)=O ACF021875 [0,1,0,0,1,0|2,0,0]=4 70 B14R2.624 FC=1C=C2C=CNC2=CC1C(=O)O ACF022129 [0,1,0,0,1,0|2,0,0]=4 71 B14R2.966 N1N=CC2=CC(=CC=C12)C(=O)OC ACS020563 [0,1,0,0,1,0|2,0,0]=4 72 B14R2.5998 FC=1C(=CC=C2C=CNC12)C(=O)O ACF021814 [0,1,0,0,1,0|2,0,0]=4 73 B14R2.8824 FC1=C2C=CNC2=CC(=C1)C(=O)O ACF022113 [0,1,0,0,1,0|2,0,0]=4 74 B14R2.450 CC1=C(OC2=C1C=CC=C2)C(=O)O ACS015492 [0,1,0,0,1,0|2,0,0]=4 75 B14R2.972 O1C(=NC2=C1C=CC=C2)C(=O)OC ACS019483 [0,1,0,0,1,0|2,0,0]=4 76 B14R2.4529 BrC1=CC2=C(C=C(O2)C(=O)O)C=C1 ACS017483 [0,1,0,0,1,0|2,0,0]=4 77 B14R2.4529 BrC1=CC=C2C=C(NC2=C1)C(=O)O ACS010203 [0,1,0,0,1,0|2,0,0]=4 78 B14R2.4529 BrC=1C=C2C=C(NC2=CC1)C(=O)O ACS016936 [0,1,0,0,1,0|2,0,0]=4 79 B14R2.4529 BrC=1C=CC2=C(C=C(O2)C(=O)O)C1 ACS017482 [0,1,0,0,1,0|2,0,0]=4 80 B14R2.4529 BrC=1C=CC2=C(C=C(S2)C(=O)O)C1 ACS015432 [0,1,0,0,1,0|2,0,0]=4 81 B14R2.4529 BrC=1C=CC2=C(SC(=C2)C(=O)O)C1 ACS017278 [0,1,0,0,1,0|2,0,0]=4 82 B14R2.4529 CC1=CC2=C(C=C(O2)C(=O)O)C=C1 ACS017710 [0,1,0,0,1,0|2,0,0]=4 83 B14R2.4529 CC1=CC2=C(C=C(S2)C(=O)O)C=C1 ACS015493 [0,1,0,0,1,0|2,0,0]=4 84 B14R2.4529 CC=1C=C2C=C(NC2=CC1)C(=O)O ACS016930 [0,1,0,0,1,0|2,0,0]=4 85 B14R2.4529 CC=1C=CC2=C(C=C(O2)C(=O)O)C1 ACS017708 [0,1,0,0,1,0|2,0,0]=4 86 B14R2.4529 ClC1=CC2=C(C=C(O2)C(=O)O)C=C1 ACS017709 [0,1,0,0,1,0|2,0,0]=4 87 B14R2.4529 ClC1=CC2=C(SC(=C2)C(=O)O)C=C1 ACS017454 [0,1,0,0,1,0|2,0,0]=4 88 B14R2.4529 ClC1=CC=C2C=C(NC2=C1)C(=O)O ACS010205 [0,1,0,0,1,0|2,0,0]=4 89 B14R2.4529 ClC=1C=CC2=C(C=C(O2)C(=O)O)C1 ACS017493 [0,1,0,0,1,0|2,0,0]=4 90 B14R2.4529 ClC=1C=CC2=C(SC(=C2)C(=O)O)C1 ACS020443 [0,1,0,0,1,0|2,0,0]=4 91 B14R2.4529 FC1=CC2=C(C=C(O2)C(=O)O)C=C1 ACF017711 [0,1,0,0,1,0|2,0,0]=4 92 B14R2.4529 FC1=CC=C2C=C(NC2=C1)C(=O)O ACF010209 [0,1,0,0,1,0|2,0,0]=4 93 B14R2.4529 FC=1C=C2C=C(NC2=CC1)C(=O)O ACF010208 [0,1,0,0,1,0|2,0,0]=4 94 B14R2.4529 FC=1C=CC2=C(C=C(O2)C(=O)O)C1 ACF017494 [0,1,0,0,1,0|2,0,0]=4 95 B14R2.4529 FC=1C=CC2=C(C=C(S2)C(=O)O)C1 ACF015471 [0,1,0,0,1,0|2,0,0]=4 96 B14R2.7969 BrC1=CC=CC2=C1C=C(O2)C(=O)O ACS017713 [0,1,0,0,1,0|2,0,0]=4 97 B14R2.7969 BrC1=CC=CC2=C1SC(=C2)C(=O)O ACS017456 [0,1,0,0,1,0|2,0,0]=4 98 B14R2.7969 BrC1=CC=CC=2C=C(OC21)C(=O)O ACS017689 [0,1,0,0,1,0|2,0,0]=4 99 B14R2.7969 BrC1=CC=CC=2SC(=CC21)C(=O)O ACS017457 [0,1,0,0,1,0|2,0,0]=4 100 B14R2.7969 CC1=CC=CC2=C1SC(=C2)C(=O)O ACS017455 [0,1,0,0,1,0|2,0,0]=4 101 B14R2.7969 CC1=CC=CC=2C=C(OC21)C(=O)O ACS017707 [0,1,0,0,1,0|2,0,0]=4 102 B14R2.7969 CC1=CC=CC=2SC(=CC21)C(=O)O ACS017313 [0,1,0,0,1,0|2,0,0]=4 103 B14R2.7969 ClC1=CC=CC2=C1C=C(O2)C(=O)O ACS017712 [0,1,0,0,1,0|2,0,0]=4 104 B14R2.7969 ClC1=CC=CC2=C1C=C(S2)C(=O)O ACS015442 [0,1,0,0,1,0|2,0,0]=4 105 B14R2.7969 ClC1=CC=CC2=C1SC(=C2)C(=O)O ACS020096 [0,1,0,0,1,0|2,0,0]=4 106 B14R2.7969 FC1=C2C=C(NC2=CC=C1)C(=O)O ACF022072 [0,1,0,0,1,0|2,0,0]=4 107 B14R2.7969 FC1=CC=CC2=C1C=C(O2)C(=O)O ACF017714 [0,1,0,0,1,0|2,0,0]=4 108 B14R2.7969 FC1=CC=CC2=C1SC(=C2)C(=O)O ACF017458 [0,1,0,0,1,0|2,0,0]=4 109 B14R2.7969 FC1=CC=CC=2C=C(OC21)C(=O)O ACF017687 [0,1,0,0,1,0|2,0,0]=4 110 B14R2.7969 FC1=CC=CC=2SC(=CC21)C(=O)O ACF017459 [0,1,0,0,1,0|2,0,0]=4 111 B16R2.82802 S(OC1=CC2=CC=CC=C2C=C1)(=O)(=O)F ACF024340 [0,1,0,0,0,1|2,0,0]=4 112 B16R2.1229 OC1=C(C=CC2=CC=CC=C12)C(=O)NC ACS020678 [0,2,0,0,0,0|0,0,0]=2 113 B16R2.12044 BrC=1C=C2C(=C(C=NC2=CC1)C(=O)O)C ACS019252 [0,2,0,0,0,0|2,0,0]=4 114 B16R2.23520 ClC1=NC2=CC(=CC=C2C=C1C(C)=O)F ACF022673 [0,2,0,0,0,0|1,0,0]=3 115 B16R2.23521 OC=1C(=CC2=CC(=CC=C2C1)O)C(=O)O ACS015458 [0,2,0,0,0,0|1,0,0]=3 116 B16R2.1205 OC1=CC=C2C=CC(=CC2=C1)C(=O)OC ACS020076 [0,2,0,0,0,0|0,0,0]=2 117 B16R2.7476 COC1=CC=C2C=CC(=CC2=C1)C(=O)O ACS020429 [0,2,0,0,0,0|1,0,0]=3 118 B14R2.2 CC(=O)Oc1c[nH]c2c1cccc2 ACS023789 [0,0,1,1,0,0|2,0,0]=4 119 B14R2.31359 C[C@H](c1cccc2c1cccc2)N ACS024019 [0,0,1,1,0,0|1,0,1]=4 120 B12R2.1 N=1C=C(N2C1C=CC=C2)C=O ACS019223 [1,0,0,0,1,0|2,0,0]=4 121 B12R2.1 O1C=C(C2=C1C=CC=C2)C=O ACS020900 [1,0,0,0,1,0|1,0,0]=3 122 B12R2.1 S1C2=C(C(=C1)C=O)C=CC=C2 ACS020436 [1,0,0,0,1,0|1,0,0]=3 123 B12R2.32 CSC=1C=C2C=CC=CN2C1 ACS019011 [1,0,0,0,1,0|2,0,0]=4 124 B12R2.32 S1C(=CC=2C1=CN=CC2)C=O ACS018385 [1,0,0,0,1,0|2,0,0]=4 125 B12R2.32 S1C(=NC2=C1C=CC=C2)C=O ACS023746 [1,0,0,0,1,0|2,0,0]=4 126 B12R2.44 COC1=CC2=C(C=CO2)C=C1 ACS019323 [1,0,0,0,1,0|2,0,0]=4 127 B12R2.44 COC1=CC=C2C=CNC2=C1 ACS010214 [1,0,0,0,1,0|2,0,0]=4 128 B12R2.44 COC=1C=CC2=C(SC=C2)C1 ACS019318 [1,0,0,0,1,0|2,0,0]=4 129 B12R2.44 N=1C=CN2C1C=C(C=C2)C=O ACS020311 [1,0,0,0,1,0|2,0,0]=4 130 B12R2.44 O1C=CC2=C1C=C(C=C2)C=O ACS017468 [1,0,0,0,1,0|1,0,0]=3 131 B12R2.44 O1C=CC2=C1C=CC(=C2)C=O ACS010991 [1,0,0,0,1,0|1,0,0]=3 132 B12R2.44 S1C2=C(C=C1)C=CC(=C2)C=O ACS017652 [1,0,0,0,1,0|1,0,0]=3