0 B12R1.21 CC1=CC=C(C=CC(=O)O)C=C1 ACS013033 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.21 ClC1=CC=C(C=C1)C=CC(C)=O ACS014642 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.21 FC1=CC=C(C=C1)SCC(=O)O ACF015588 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.21 NC1=CC=C(C=CC(=O)O)C=C1 ACS013020 [0,0,0,0,0,0|2,0,2]=4 4 B12R1.21 OC1=CC=C(C=C1)CCC(C)=O ACS011998 [0,0,0,0,0,0|1,0,0]=1 5 B11R1.1 BrC1=CC=C(C=C1)CCC#N ACS023956 [1,0,0,0,0,0|1,0,2]=4 6 B11R1.1 FC1=CC=C(C=CC=O)C=C1 ACF014314 [1,0,0,0,0,0|1,0,2]=4 7 B11R1.1 FC1=CC=C(CN=C=O)C=C1 ACF017040 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.1 NC1=CC=C(CCNC)C=C1 ACS014035 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.91 C(C=CC1=CC=CC=C1)(=O)O ACS013027 [1,0,0,0,0,0|1,0,2]=4 10 B11R1.91 C1(=CC=CC=C1)NCC(=O)O ACS024393 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.91 N1=CC=C(C=C1)OCC(=O)O ACS020765 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.91 [N+](=O)([O-])CCC1=CC=CC=C1 ACS012492 [1,0,0,0,0,0|2,0,0]=3 13 B13R1.3 C(=O)C1=CC=C(C=C1)CCC(=O)O ACS018853 [0,1,0,0,0,0|1,0,1]=3 14 B13R1.3 CN(C)CCC1=CC=C(C=C1)OC ACS024410 [0,1,0,0,0,0|3,0,0]=4 15 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 ACS012242 [0,1,0,0,0,0|1,0,2]=4 16 B13R1.14 OC1=CC=C(C=CC(=O)OC)C=C1 ACS012859 [0,1,0,0,0,0|1,0,2]=4 17 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)Br ACS013007 [0,1,0,0,0,0|2,0,0]=3 18 B13R1.133 ClC1=CC=C(C[C@@H](N)C(=O)O)C=C1 ACS011484 [0,1,0,0,0,0|2,0,0]=3 19 B13R1.133 NC(C(=O)O)CC1=CC=C(C=C1)Br ACS013006 [0,1,0,0,0,0|2,0,0]=3 20 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(=O)O ACS011627 [0,1,0,0,0,0|1,0,0]=2 21 B13R1.164 ClC1=C(C=CC(=C1)O)CCC(=O)O ACS013009 [0,1,0,0,0,0|1,0,0]=2 22 B13R1.164 ClC1=C(C=CC(=O)O)C=CC(=C1)O ACS013024 [0,1,0,0,0,0|1,0,2]=4 23 B13R1.164 FC1=C(C=CC(=C1)F)CCC(=O)O ACF013012 [0,1,0,0,0,0|2,0,0]=3 24 B13R1.511 FC=1C=C(C=CC1F)CCC(=O)O ACF013013 [0,1,0,0,0,0|2,0,0]=3 25 B13R2.147 FC1=CC=C(C=C1)C2CC(C2)=O ACF022659 [0,0,0,1,0,0|2,0,0]=3 26 B13R2.147 FC1=CC=C(C=C1)C2CC(C2)N ACF022658 [0,0,0,1,0,0|2,0,1]=4 27 B13R2.155 BrC1=CC2=C(OCC(N2)=O)C=C1 ACS018953 [0,0,0,1,0,0|2,0,0]=3 28 B13R2.155 ClC1=CC2=C(OCC(N2)=O)C=C1 ACS018933 [0,0,0,1,0,0|2,0,0]=3 29 B13R2.155 OC1=CC2=C(OCC(N2)=O)C=C1 ACS017342 [0,0,0,1,0,0|1,0,0]=2 30 B13R2.155 OC1=CC=C2C=CC(NC2=C1)=O ACS010856 [0,0,0,1,0,0|0,0,2]=3 31 B13R2.155 c1cc2c(cc1N)NC(=O)CO2 ACS015409 [0,0,0,1,0,0|2,0,0]=3 32 B11R1.20 BrC1=CC=C(C=C1)CC(=O)O ACS010618 [0,0,0,0,1,0|2,0,0]=3 33 B11R1.20 BrC1=CC=C(C=C1)OC(C)=O ACS012680 [0,0,0,0,1,0|3,0,0]=4 34 B11R1.20 C(C)(=O)OC1=CC=C(C=C1)F ACF010438 [0,0,0,0,1,0|3,0,0]=4 35 B11R1.20 CC(=O)Nc1ccc(cc1)F ACF014024 [0,0,0,0,1,0|3,0,0]=4 36 B11R1.20 CC1=CC=C(C=C1)CC(=O)O ACS012986 [0,0,0,0,1,0|2,0,0]=3 37 B11R1.20 Cc1ccc(cc1)NC(=O)C ACS014026 [0,0,0,0,1,0|3,0,0]=4 38 B11R1.20 ClC1=CC=C(C=C1)CC(=O)O ACS012940 [0,0,0,0,1,0|2,0,0]=3 39 B11R1.20 FC1=CC=C(C=C1)CC(=O)O ACF012967 [0,0,0,0,1,0|2,0,0]=3 40 B11R1.20 FC1=CC=C(C=C1)CC(N)=N ACF022183 [0,0,0,0,1,0|2,0,0]=3 41 B11R1.20 NC1=CC=C(C=C1)CC(=O)O ACS012904 [0,0,0,0,1,0|2,0,0]=3 42 B11R1.20 OC1=CC=C(C=C1)CC(=O)O ACS012976 [0,0,0,0,1,0|1,0,0]=2 43 B11R1.20 SC1=CC=C(C=C1)CC(=O)O ACS012987 [0,0,0,0,1,0|1,1,0]=3 44 B11R1.20 c1cc(ccc1OC(=O)Cl)F ACF015513 [0,0,0,0,1,0|3,0,0]=4 45 B13R1.513 FC1=CC=C(OCCC(=O)O)C=C1 ACF015586 [0,0,0,0,0,1|2,0,0]=3 46 B10R1.1 BrC1=CC=C(C=C1)CCO ACS013737 [2,0,0,0,0,0|1,0,1]=4 47 B10R1.1 C(CC)C1=CC=C(N)C=C1 ACS016018 [2,0,0,0,0,0|1,0,1]=4 48 B10R1.1 CC1=CC=C(CCN)C=C1 ACS014043 [2,0,0,0,0,0|1,0,0]=3 49 B10R1.1 CCCc1ccc(cc1)Br ACS015037 [2,0,0,0,0,0|1,0,1]=4 50 B10R1.1 ClC1=CC=C(C=C1)CCCl ACS016872 [2,0,0,0,0,0|2,0,0]=4 51 B10R1.1 ClC1=CC=C(C=C1)CCN ACS015952 [2,0,0,0,0,0|1,0,0]=3 52 B10R1.1 ClC1=CC=C(CCN)C=C1 ACS014036 [2,0,0,0,0,0|1,0,0]=3 53 B10R1.1 ClC1=CC=C(CCO)C=C1 ACS016869 [2,0,0,0,0,0|1,0,1]=4 54 B10R1.1 FC1=CC=C(C=C1)CCBr ACF013493 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.1 FC1=CC=C(C=C1)CNN ACF021003 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.1 FC1=CC=C(C=C1)CNN ACF021004 [2,0,0,0,0,0|2,0,0]=4 57 B10R1.1 FC1=CC=C(CCN)C=C1 ACF014040 [2,0,0,0,0,0|1,0,0]=3 58 B10R1.1 NC1=CC=C(C=C1)CCO ACS013740 [2,0,0,0,0,0|1,0,1]=4 59 B10R1.1 NC1=CC=C(CCN)C=C1 ACS014034 [2,0,0,0,0,0|1,0,0]=3 60 B10R1.1 c1cc(ccc1CCO)F ACF013750 [2,0,0,0,0,0|1,0,1]=4 61 B12R1.69 C(CCC)C1=C(C=C(C=C1)O)O ACS020042 [1,1,0,0,0,0|1,0,1]=4 62 B12R1.27 BrCC(=O)OCC1=CC=CC=C1 ACS011041 [1,1,0,0,0,0|2,0,0]=4 63 B12R1.27 C(C1=CC=CC=C1)NC(CCl)=O ACS014089 [1,1,0,0,0,0|2,0,0]=4 64 B12R1.43 C1(=CC=CC=C1)NC(C(=O)O)C ACS011814 [1,1,0,0,0,0|2,0,0]=4 65 B12R1.43 c1cnccc1C[C@@H](C(=O)O)N ACS011731 [1,1,0,0,0,0|2,0,0]=4 66 B12R1.125 BrC1=C(C=CC=C1)CCC(=O)O ACS017007 [1,1,0,0,0,0|1,0,0]=3 67 B12R1.226 CC=1C=C(OCC(=O)O)C=CC1 ACS024417 [1,1,0,0,0,0|2,0,0]=4 68 B12R1.226 c1cc(cc(c1)Cl)CCC(=O)O ACS013010 [1,1,0,0,0,0|1,0,0]=3 69 B12R1.226 c1cc(cc(c1)F)CCC(=O)O ACF013015 [1,1,0,0,0,0|1,0,0]=3 70 B12R1.4 BrCC1=CC=C(C=C1)CC(=O)O ACS012927 [0,1,0,0,1,0|2,0,0]=4 71 B12R1.4 C(#N)C1=CC=C(C=C1)CC(=O)O ACS011936 [0,1,0,0,1,0|2,0,0]=4 72 B12R1.4 C(C)C1=CC=C(C=C1)CC(C)=O ACS011943 [0,1,0,0,1,0|2,0,0]=4 73 B12R1.4 COC1=CC=C(C=C1)OC(=O)Cl ACS012693 [0,1,0,0,1,0|2,0,0]=4 74 B12R1.4 NCC1=CC=C(C=C1)CC(=O)O ACS012901 [0,1,0,0,1,0|2,0,0]=4 75 B12R1.4 NCC1=CC=C(C=C1)CC(=O)O ACS012902 [0,1,0,0,1,0|2,0,0]=4 76 B12R1.19 BrC1=C(C=C(C=C1)CC(=O)O)C ACS012926 [0,1,0,0,1,0|2,0,0]=4 77 B12R1.19 BrC1=C(C=C(C=C1)CC(=O)O)F ACF012918 [0,1,0,0,1,0|2,0,0]=4 78 B12R1.19 BrC=1C=C(C=CC1F)CC(=O)O ACF012917 [0,1,0,0,1,0|2,0,0]=4 79 B12R1.19 BrC=1C=C(C=CC1O)CC(=O)O ACS012920 [0,1,0,0,1,0|1,0,0]=3 80 B12R1.19 CC=1C=C(C=CC1C)CC(=O)O ACS012245 [0,1,0,0,1,0|2,0,0]=4 81 B12R1.19 ClC1=C(C=C(C=C1)CC(=O)O)F ACF010626 [0,1,0,0,1,0|2,0,0]=4 82 B12R1.19 ClC=1C=C(C=CC1Cl)CC(=O)O ACS012947 [0,1,0,0,1,0|2,0,0]=4 83 B12R1.19 ClC=1C=C(C=CC1F)CC(=O)O ACF010621 [0,1,0,0,1,0|2,0,0]=4 84 B12R1.19 FC=1C=C(C=CC1F)CC(=O)O ACF012951 [0,1,0,0,1,0|2,0,0]=4 85 B12R1.19 FC=1C=C(C=CC1O)CC(=O)O ACF012957 [0,1,0,0,1,0|1,0,0]=3 86 B12R1.20 BrC(C(=O)O)C1=CC=C(C=C1)Cl ACS012910 [0,1,0,0,1,0|2,0,0]=4 87 B12R1.20 ClC1=CC=C(C=C1)C(C(=O)O)O ACS012941 [0,1,0,0,1,0|2,0,0]=4 88 B12R1.20 FC1=CC=C([C@@H](N)C(=O)O)C=C1 ACF010859 [0,1,0,0,1,0|2,0,0]=4 89 B12R1.20 OC(C(=O)O)C1=CC=C(C=C1)C ACS015778 [0,1,0,0,1,0|2,0,0]=4 90 B12R1.20 OC1=CC=C([C@H](N)C(=O)O)C=C1 ACS011602 [0,1,0,0,1,0|1,0,0]=3 91 B12R1.233 BrC1=C(C=CC(=C1)Cl)CC(=O)O ACS012911 [0,1,0,0,1,0|2,0,0]=4 92 B12R1.233 BrC1=CC(=C(C=C1)CC(=O)O)Cl ACS012913 [0,1,0,0,1,0|2,0,0]=4 93 B12R1.233 BrC1=CC(=C(C=C1)CC(=O)O)F ACF011588 [0,1,0,0,1,0|2,0,0]=4 94 B12R1.233 ClC1=C(C=CC(=C1)F)CC(=O)O ACF012932 [0,1,0,0,1,0|2,0,0]=4 95 B12R1.233 ClC1=CC(=C(C=C1)CC(=O)O)F ACF012936 [0,1,0,0,1,0|2,0,0]=4 96 B12R1.233 FC1=C(C=CC(=C1)C)CC(=O)O ACF012586 [0,1,0,0,1,0|2,0,0]=4 97 B12R1.233 FC1=C(C=CC(=C1)F)CC(=O)O ACF012949 [0,1,0,0,1,0|2,0,0]=4 98 B12R1.233 FC1=C(C=CC(=C1)F)CC(N)=N ACF022185 [0,1,0,0,1,0|2,0,0]=4 99 B14R1.678 O=C(CCC(=O)O)C1=CC=C(C=C1)C ACS019499 [0,1,0,0,0,1|2,0,0]=4 100 B14R1.502 FC1=CC=C(C=C1)CCC(=O)OCC ACF012730 [0,2,0,0,0,0|2,0,0]=4 101 B14R1.502 NC1=CC=C(C=C1)CCC(=O)OCC ACS019124 [0,2,0,0,0,0|2,0,0]=4 102 B14R1.1019 NC[C@H](CC(=O)O)C1=CC=C(C=C1)Cl ACS011893 [0,2,0,0,0,0|2,0,0]=4 103 B12R2.24 ClC1=CC=C2CCCNC2=C1 ACS020577 [1,0,0,1,0,0|1,0,1]=4 104 B12R2.132 BrC1=CC=C2CNC(C2=C1)=O ACS017550 [1,0,0,1,0,0|2,0,0]=4 105 B12R2.606 BrC1=CC=C2CC(NC2=C1)=O ACS011028 [0,0,0,1,1,0|1,0,0]=3 106 B12R2.606 BrC=1C=C2CC(CC2=CC1)=O ACS020906 [0,0,0,1,1,0|2,0,0]=4 107 B12R2.606 BrC=1C=CC2=C(NC(O2)=O)C1 ACS020350 [0,0,0,1,1,0|2,0,0]=4 108 B12R2.606 FC1=CC=C2C(=N1)NC(C2)=O ACF021926 [0,0,0,1,1,0|2,0,0]=4 109 B12R2.606 FC1=CC=C2CC(NC2=C1)=O ACF010212 [0,0,0,1,1,0|1,0,0]=3 110 B12R2.606 NC1=NC2=C(N1)C=CC(=C2)O ACS020380 [0,0,0,1,1,0|2,0,0]=4 111 B14R2.4402 FC1=CC=C(C=C1)[C@@H]2[C@@H](C2)C(=O)O ACF022657 [0,0,0,1,0,1|2,0,0]=4 112 B14R2.134 COC=1C=C2CC(COC2=CC1)=O ACS019603 [0,1,0,1,0,0|2,0,0]=4 113 B14R2.134 O=C1NC2=C(OC1)C=CC(=C2)C#N ACS020885 [0,1,0,1,0,0|2,0,0]=4 114 B14R2.29365 BrC1=C2CCC(CC2=CC(=C1)F)=O ACF023625 [0,1,0,1,0,0|2,0,0]=4 115 B10R1.18 C1(=CC=CC=C1)CC(=O)O ACS012991 [1,0,0,0,1,0|1,0,0]=3 116 B10R1.18 ClC(=O)OC1=CC=CC=C1 ACS017180 [1,0,0,0,1,0|2,0,0]=4 117 B10R1.18 N1=C(C=CC=C1)CC(=O)O ACS015242 [1,0,0,0,1,0|2,0,0]=4 118 B10R1.18 N1=CC=C(C=C1)CC(=O)O ACS015243 [1,0,0,0,1,0|2,0,0]=4 119 B10R1.66 O1C(=CC=C1)CCC(=O)O ACS015358 [1,0,0,0,1,0|2,0,0]=4 120 B10R1.13 BrC1=CC=C(C(=N)N)C=C1 ACS012140 [0,0,0,0,2,0|2,0,0]=4 121 B10R1.13 BrC1=CC=C(C(=O)O)C=C1 ACS010527 [0,0,0,0,2,0|2,0,0]=4 122 B10R1.13 BrC1=CC=C(C(=O)[O-])C=C1 ACS013276 [0,0,0,0,2,0|2,0,0]=4 123 B10R1.13 BrC1=CC=C(C=C1)C(C)=O ACS014490 [0,0,0,0,2,0|2,0,0]=4 124 B10R1.13 BrC=1C=CC(=NC1)C(=O)N ACS015156 [0,0,0,0,2,0|2,0,0]=4 125 B10R1.13 C=C(C)C1=CC=C(C=C1)O ACS017253 [0,0,0,0,2,0|2,0,0]=4 126 B10R1.13 CC(=O)c1ccc(cc1)I ACS015856 [0,0,0,0,2,0|2,0,0]=4 127 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 ACS013413 [0,0,0,0,2,0|2,0,0]=4 128 B10R1.13 CC1=CC=C(C(=O)N)C=C1 ACS017117 [0,0,0,0,2,0|1,0,0]=3 129 B10R1.13 CC1=CC=C(C(=O)O)C=C1 ACS013233 [0,0,0,0,2,0|2,0,0]=4 130 B10R1.13 CC1=CC=C(C=C1)C(C)=O ACS014585 [0,0,0,0,2,0|2,0,0]=4 131 B10R1.13 Cc1ccc(cc1)[S@](=O)N ACS011281 [0,0,0,0,2,0|2,0,0]=4 132 B10R1.13 ClC1=CC=C(C(=O)O)C=C1 ACS011185 [0,0,0,0,2,0|2,0,0]=4 133 B10R1.13 ClC1=CC=C(C(=O)[O-])C=C1 ACS013279 [0,0,0,0,2,0|2,0,0]=4 134 B10R1.13 ClC1=CC=C(C=C1)C(C)=O ACS015812 [0,0,0,0,2,0|2,0,0]=4 135 B10R1.13 FC1=CC=C(C(=O)Cl)C=C1 ACF013397 [0,0,0,0,2,0|2,0,0]=4 136 B10R1.13 FC1=CC=C(C(=O)N)C=C1 ACF016752 [0,0,0,0,2,0|1,0,0]=3 137 B10R1.13 FC1=CC=C(C(=O)O)C=C1 ACF013187 [0,0,0,0,2,0|2,0,0]=4 138 B10R1.13 FC1=CC=C(C(=O)[O-])C=C1 ACF013294 [0,0,0,0,2,0|2,0,0]=4 139 B10R1.13 FC1=CC=C(C(=S)N)C=C1 ACF016757 [0,0,0,0,2,0|1,1,0]=4 140 B10R1.13 FC1=CC=C(C=C1)C(C)=O ACF014557 [0,0,0,0,2,0|2,0,0]=4 141 B10R1.13 IC1=CC=C(C(=O)Cl)C=C1 ACS016570 [0,0,0,0,2,0|2,0,0]=4 142 B10R1.13 IC1=CC=C(C(=O)O)C=C1 ACS013219 [0,0,0,0,2,0|2,0,0]=4 143 B10R1.13 NC1=CC=C(C(=O)O)C=C1 ACS013042 [0,0,0,0,2,0|2,0,0]=4 144 B10R1.13 NC1=CC=C(C=C1)C(C)=O ACS010475 [0,0,0,0,2,0|2,0,0]=4 145 B10R1.13 OC1=CC=C(C(=O)O)C=C1 ACS013211 [0,0,0,0,2,0|1,0,0]=3 146 B10R1.13 OC1=CC=C(C(N)=S)C=C1 ACS014085 [0,0,0,0,2,0|0,1,0]=3 147 B10R1.13 OC1=CC=C(C=C1)C(C)=O ACS010478 [0,0,0,0,2,0|1,0,0]=3 148 B10R1.13 OC1=CC=C(C=N1)C(=O)O ACS015219 [0,0,0,0,2,0|2,0,0]=4 149 B10R1.13 [N+](=O)([O-])C1=CC=C(C=C1)O ACS014457 [0,0,0,0,2,0|2,0,0]=4 150 B12R1.252 C(C1=CC=CC=C1)OCC(=O)O ACS017159 [1,0,0,0,0,1|1,0,0]=3 151 B12R1.252 C(CC1=CC=CC=C1)OC(C)=O ACS012688 [1,0,0,0,0,1|1,0,0]=3 152 B12R1.252 O(C1=CC=CC=C1)CCC(=O)O ACS015602 [1,0,0,0,0,1|1,0,0]=3