0 B12R1.252 CC(=O)OCCC1=CC=CC=C1 MC40009 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.252 CC(C)=CCSC1=CC=CC=C1 MC41831 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.252 CC(O)COCC1=CC=CC=C1 CS20248 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.252 CN(C)CCOC1=CC=CC=C1 CS11261 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.252 NC(=S)COCC1=CC=CC=C1 MC430689 [0,0,0,0,0,0|2,1,0]=3 5 B12R1.252 O=C(O)CCCC1=NC=CC=C1 CS12802 [0,0,0,0,0,0|1,0,0]=1 6 B12R1.252 O=C(O)CCOC1=CC=CC=C1 MC40204 [0,0,0,0,0,0|1,0,0]=1 7 B12R1.252 O=C(O)CNCC1=CC=CC=C1 CS21182 [0,0,0,0,0,0|1,0,0]=1 8 B12R1.252 O=C(O)CNCC1=NC=CC=C1 MC105962 [0,0,0,0,0,0|2,0,0]=2 9 B12R1.252 O=C(O)COCC1=CC=CC=C1 CS14115 [0,0,0,0,0,0|1,0,0]=1 10 B11R1.28 BrCCCOC1=CC=CC=C1 CS15031 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.28 BrCCOCC1=CC=CC=C1 CS10998 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.28 C=CCOCC1=CC=CC=C1 MC425090 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.28 CNCCCC1=CC=CC=C1 MC425598 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.28 CNCCCC1=NC=CC=C1 MC430496 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.28 N#CCNCC1=CC=CC=C1 MC442440 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.28 NCCOCC1=CC=CC=C1 CS20892 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.28 O=CCOCC1=CC=CC=C1 MC429084 [1,0,0,0,0,0|1,0,0]=2 18 B11R1.28 OCCCCC1=CC=CC=C1 CS11170 [1,0,0,0,0,0|0,0,1]=2 19 B11R1.28 OCCCCC1=CC=NC=C1 CS13477 [1,0,0,0,0,0|1,0,1]=3 20 B11R1.28 OCCOCC1=CC=CC=C1 MC20071 [1,0,0,0,0,0|1,0,1]=3 21 B13R1.45 CC(O)CCC(=O)C1=CC=CC=C1 CS14046 [0,1,0,0,0,0|1,0,2]=4 22 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 CS22116 [0,1,0,0,0,0|0,0,1]=2 23 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 MC439497 [0,1,0,0,0,0|1,0,1]=3 24 B13R1.45 O=C(O)CNC(=O)c1ccccc1 MC34005 [0,1,0,0,0,0|1,0,1]=3 25 B13R1.149 O=C(O)CCOC1=CC(F)=CC=C1 MC425447 [0,1,0,0,0,0|1,0,0]=2 26 B13R1.348 CN(CC(=O)[O-])CC1=CC=CC=C1 MC106249 [0,1,0,0,0,0|1,0,1]=3 27 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 CS11157 [0,1,0,0,0,0|0,0,0]=1 28 B13R1.351 CC(OCC1=CC=CC=C1)C(=O)O CS17364 [0,1,0,0,0,0|1,0,0]=2 29 B13R1.351 NC(CCC1=CC=CC=C1)B(O)O MC442655 [0,1,0,0,0,0|1,0,1]=3 30 B13R1.351 NC(CCC1=CC=CC=C1)B(O)O MC442656 [0,1,0,0,0,0|1,0,1]=3 31 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O CS11152 [0,1,0,0,0,0|0,0,0]=1 32 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O MC437761 [0,1,0,0,0,0|0,0,0]=1 33 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O MC437762 [0,1,0,0,0,0|0,0,0]=1 34 B13R1.351 NC(CSc1ccccc1)C(=O)O MC436913 [0,1,0,0,0,0|1,0,0]=2 35 B13R1.351 NC(C[Se]C1=CC=CC=C1)C(=O)O MC435422 [0,1,0,0,0,0|1,0,0]=2 36 B13R1.351 O=C(O)C(O)CCC1=CC=CC=C1 CS11117 [0,1,0,0,0,0|0,0,0]=1 37 B13R1.351 O=C(O)C(O)CCC1=CC=CC=C1 CS11118 [0,1,0,0,0,0|0,0,0]=1 38 B13R1.513 NC1=CC=C(CCCC(=O)O)C=C1 CS11150 [0,1,0,0,0,0|0,0,0]=1 39 B13R1.513 O=C(O)CCCC1=CC=C(F)C=C1 CS11085 [0,1,0,0,0,0|0,0,0]=1 40 B13R1.513 O=C(O)CCCC1=CC=C(O)C=C1 CS15672 [0,1,0,0,0,0|0,0,0]=1 41 B13R1.513 O=C(O)CCOC1=CC=C(F)C=C1 MC41824 [0,1,0,0,0,0|1,0,0]=2 42 B13R1.718 COC(=O)CCNC1=CC=CC=C1 CS22398 [0,1,0,0,0,0|1,0,0]=2 43 B13R1.718 COC(=O)\C=C\NC1=CC=CC=C1 MC111024 [0,1,0,0,0,0|1,0,2]=4 44 B13R1.718 NC(CO)COCC1=CC=CC=C1 CS13312 [0,1,0,0,0,0|2,0,1]=4 45 B13R1.718 OCC(O)COCC1=CC=CC=C1 CS20085 [0,1,0,0,0,0|1,0,2]=4 46 B13R1.718 OCC(O)COCC1=CC=CC=C1 MC436292 [0,1,0,0,0,0|1,0,2]=4 47 B13R1.718 OCC(O)COCC1=CC=CC=C1 MC436293 [0,1,0,0,0,0|1,0,2]=4 48 B13R1.3523 CC(C)(O)CNCC1=CC=CC=C1 MC103302 [0,1,0,0,0,0|2,0,1]=4 49 B13R2.10 O=C1CC(C2=CC=CC=C2)CN1 CS13543 [0,0,0,1,0,0|2,0,0]=3 50 B13R2.10 O=C1CCC(C2=CC=NC=C2)C1 MC106176 [0,0,0,1,0,0|2,0,0]=3 51 B13R2.10 O=C1CCC(C2=NC=CC=C2)C1 MC106175 [0,0,0,1,0,0|2,0,0]=3 52 B13R2.10 O=C1NC(C2=CC=CC=C2)CO1 CS11041 [0,0,0,1,0,0|2,0,0]=3 53 B13R2.10 O=C1NC(C2=CC=CC=C2)CO1 CS11043 [0,0,0,1,0,0|2,0,0]=3 54 B13R2.72 O=C(O)C1=CNC2=CC=CC=C21 CS22270 [0,0,0,1,0,0|1,0,2]=4 55 B13R2.72 O=C(O)C1=CSC2=C1C=CC=C2 CS10958 [0,0,0,1,0,0|1,0,2]=4 56 B13R2.72 O=C(O)C1=NNC2=CC=CC=C21 CS10762 [0,0,0,1,0,0|2,0,1]=4 57 B13R2.72 O=C(O)C1=NOC2=C1C=CC=C2 CS20483 [0,0,0,1,0,0|2,0,1]=4 58 B13R2.72 O=C(O)C1CCC2=CC=CC=C21 CS20735 [0,0,0,1,0,0|0,0,0]=1 59 B13R2.72 O=C(O)C1CNC2=CC=CC=C21 MC106638 [0,0,0,1,0,0|1,0,0]=2 60 B13R2.163 O=C1CCCC2=C(C=CC=C2)N1 CS10012 [0,0,0,1,0,0|1,0,0]=2 61 B13R2.163 O=C1COCC2=C(C=CC=C2)N1 MC431588 [0,0,0,1,0,0|2,0,0]=3 62 B13R2.423 O=C(O)C1CC1C2=NC=CC=C2 MC107177 [0,0,0,1,0,0|1,0,0]=2 63 B13R2.423 O=[N+]([O-])C1CC1C2=CC=CC=C2 MC106452 [0,0,0,1,0,0|1,0,1]=3 64 B13R2.2382 C1=CC=C(COCC2CO2)C=C1 MC20328 [0,0,0,1,0,0|2,0,1]=4 65 B13R2.2382 C1=CC=C(COCC2CO2)C=C1 MC20329 [0,0,0,1,0,0|2,0,1]=4 66 B13R2.2382 C1=CC=C(COCC2CO2)C=C1 MC20949 [0,0,0,1,0,0|2,0,1]=4 67 B11R1.91 CC(=O)COC1=CC=CC=C1 MC433248 [0,0,0,0,1,0|2,0,0]=3 68 B11R1.91 CC(=O)OCC1=CC=CN=C1 MC33425 [0,0,0,0,1,0|3,0,0]=4 69 B11R1.91 CN(C)CCC1=CC=CC=C1 MC446671 [0,0,0,0,1,0|3,0,0]=4 70 B11R1.91 NC(=O)OCC1=CC=CC=C1 MC428066 [0,0,0,0,1,0|2,0,0]=3 71 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 CS21725 [0,0,0,0,1,0|1,0,2]=4 72 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 MC42251 [0,0,0,0,1,0|2,0,0]=3 73 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CS10957 [0,0,0,0,1,0|0,0,2]=3 74 B11R1.91 O=C(O)CNC1=CC=NC=C1 MC425129 [0,0,0,0,1,0|2,0,0]=3 75 B11R1.91 O=C(O)CNC1=CC=NC=C1 MC425915 [0,0,0,0,1,0|2,0,0]=3 76 B11R1.91 O=C(O)CNc1ccccc1 MC439073 [0,0,0,0,1,0|1,0,0]=2 77 B11R1.91 O=C(O)COC1=CC=NC=C1 MC443726 [0,0,0,0,1,0|2,0,0]=3 78 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 MC40211 [0,0,0,0,1,0|0,0,2]=3 79 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 MC20186 [0,0,0,0,1,0|1,0,2]=4 80 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 MC20799 [0,0,0,0,1,0|1,0,2]=4 81 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CS20444 [0,0,0,0,1,0|1,0,1]=3 82 B11R1.172 O=C(O)CCCC1=CC=CS1 MC443875 [0,0,0,0,1,0|1,0,0]=2 83 B13R1.337 CC(=O)OC\C=C\C1=CC=CC=C1 CS11144 [0,0,0,0,0,1|1,0,2]=4 84 B13R1.337 CN(C)CCNCC1=CC=CC=C1 MC21090 [0,0,0,0,0,1|3,0,0]=4 85 B13R1.337 O=C(O)CCOCC1=CC=CC=C1 MC443424 [0,0,0,0,0,1|0,0,0]=1 86 B13R1.337 O=C(O)CCSCC1=CC=CC=C1 MC439151 [0,0,0,0,0,1|0,0,0]=1 87 B10R1.17 BrCCOC1=CC=CC=C1 MC20150 [2,0,0,0,0,0|2,0,0]=4 88 B10R1.17 Br[Zn]CCc1ccccc1 MC121341 [2,0,0,0,0,0|2,0,0]=4 89 B10R1.17 CNCCC1=CC=CC=C1 MC446670 [2,0,0,0,0,0|1,0,1]=4 90 B10R1.17 ClCCOC1=CC=CC=C1 MC33174 [2,0,0,0,0,0|2,0,0]=4 91 B10R1.17 NCCCC1=CC=NC=C1 MC425564 [2,0,0,0,0,0|2,0,0]=4 92 B10R1.17 NCCOC1=CC=CC=C1 CS20484 [2,0,0,0,0,0|2,0,0]=4 93 B10R1.17 O=CC#CC1=CC=CC=C1 CS18196 [2,0,0,0,0,0|0,0,2]=4 94 B10R1.17 OCCCC1=CC=NC=C1 CS22019 [2,0,0,0,0,0|1,0,0]=3 95 B10R1.17 OCCOC1=CC=CC=C1 MC41398 [2,0,0,0,0,0|1,0,0]=3 96 B12R1.8 BrCCCOCC1=CC=CC=C1 CS10023 [1,1,0,0,0,0|1,0,1]=4 97 B12R1.8 C#CCCNCC1=CC=CC=C1 MC431217 [1,1,0,0,0,0|1,0,1]=4 98 B12R1.8 CNCCNCC1=CC=CC=C1 MC107809 [1,1,0,0,0,0|2,0,0]=4 99 B12R1.8 N#CCSCCC1=CC=CC=C1 MC107687 [1,1,0,0,0,0|1,0,1]=4 100 B12R1.8 NCCCNCC1=CC=CC=C1 CS11742 [1,1,0,0,0,0|1,0,1]=4 101 B12R1.8 OCCCCCC1=CC=CC=C1 MC443206 [1,1,0,0,0,0|0,0,1]=3 102 B12R1.27 CC(CO)NCC1=CC=CC=C1 CS11754 [1,1,0,0,0,0|1,0,1]=4 103 B12R1.27 CC(CO)OCC1=CC=CC=C1 MC106974 [1,1,0,0,0,0|1,0,1]=4 104 B12R1.32 CN(CCO)CC1=CC=CC=C1 CS11755 [1,1,0,0,0,0|1,0,1]=4 105 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 CS14964 [0,1,0,0,1,0|1,0,0]=3 106 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 MC40217 [0,1,0,0,1,0|0,0,2]=4 107 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 CS21832 [0,1,0,0,1,0|0,0,0]=2 108 B12R1.21 NC1=CC=C(CCC(=O)O)C=N1 CS15944 [0,1,0,0,1,0|1,0,0]=3 109 B12R1.21 NC1=CC=C(CCC(=O)O)C=N1 CS17825 [0,1,0,0,1,0|1,0,0]=3 110 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 CS21674 [0,1,0,0,1,0|0,0,0]=2 111 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 CS19854 [0,1,0,0,1,0|0,0,0]=2 112 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 CS21107 [0,1,0,0,1,0|0,0,0]=2 113 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 MC41825 [0,1,0,0,1,0|1,0,0]=3 114 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 CS21504 [0,1,0,0,1,0|0,0,2]=4 115 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 MC429571 [0,1,0,0,1,0|0,0,2]=4 116 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 CS15820 [0,1,0,0,1,0|0,0,2]=4 117 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O MC445160 [0,1,0,0,1,0|0,0,1]=3 118 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O MC20809 [0,1,0,0,1,0|1,0,0]=3 119 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438079 [0,1,0,0,1,0|1,0,0]=3 120 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438080 [0,1,0,0,1,0|1,0,0]=3 121 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438081 [0,1,0,0,1,0|1,0,0]=3 122 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438082 [0,1,0,0,1,0|1,0,0]=3 123 B12R1.43 NC(CC1=CC=CC=C1)B(O)O MC442654 [0,1,0,0,1,0|1,0,1]=4 124 B12R1.43 NC(CC1=CC=CC=C1)B(O)O MC442683 [0,1,0,0,1,0|1,0,1]=4 125 B12R1.43 NC(CC1=CC=CC=C1)B(O)O MC442684 [0,1,0,0,1,0|1,0,1]=4 126 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS15443 [0,1,0,0,1,0|0,0,0]=2 127 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS18748 [0,1,0,0,1,0|0,0,0]=2 128 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS21178 [0,1,0,0,1,0|0,0,0]=2 129 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O CS18803 [0,1,0,0,1,0|1,0,0]=3 130 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O MC20764 [0,1,0,0,1,0|1,0,0]=3 131 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O MC439076 [0,1,0,0,1,0|1,0,0]=3 132 B12R1.43 NC(Cc1ccccn1)C(=O)O MC427345 [0,1,0,0,1,0|1,0,0]=3 133 B12R1.43 NC(Cc1ccccn1)C(=O)O MC438142 [0,1,0,0,1,0|1,0,0]=3 134 B12R1.43 NC(Cc1ccccn1)C(=O)O MC438143 [0,1,0,0,1,0|1,0,0]=3 135 B12R1.43 NC(Cc1ccccn1)C(=O)O MC439075 [0,1,0,0,1,0|1,0,0]=3 136 B12R1.43 NC(Cc1cccnc1)C(=O)O MC438144 [0,1,0,0,1,0|1,0,0]=3 137 B12R1.43 NC(Cc1ccncc1)C(=O)O MC439080 [0,1,0,0,1,0|1,0,0]=3 138 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 CS15800 [0,1,0,0,1,0|0,0,0]=2 139 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 CS21095 [0,1,0,0,1,0|0,0,0]=2 140 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 MC438099 [0,1,0,0,1,0|0,0,0]=2 141 B12R1.43 O=C(O)C(O)CC1=CC=CN=C1 MC437778 [0,1,0,0,1,0|1,0,0]=3 142 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CS20784 [0,1,0,0,1,0|1,0,1]=4 143 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MC42229 [0,1,0,0,1,0|0,0,0]=2 144 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MC428246 [0,1,0,0,1,0|0,0,0]=2 145 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 CS20300 [0,1,0,0,1,0|1,0,0]=3 146 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 CS22312 [0,1,0,0,1,0|0,0,0]=2 147 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 CS17400 [0,1,0,0,1,0|0,0,2]=4 148 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 CS21656 [0,1,0,0,1,0|0,0,0]=2 149 B12R1.125 O=C(O)CCN1C=CC=CC1=O CS12670 [0,1,0,0,1,0|1,0,0]=3 150 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 MC106617 [0,1,0,0,1,0|1,0,0]=3 151 B12R1.125 O=C(O)CNc1ccccc1Cl MC439220 [0,1,0,0,1,0|1,0,0]=3 152 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 CS10967 [0,1,0,0,1,0|0,0,2]=4 153 B12R1.226 O=C(O)CCC1=CC(Br)=CC=C1 CS21658 [0,1,0,0,1,0|0,0,0]=2 154 B12R1.226 O=C(O)CCC1=CC(Cl)=CC=C1 CS13948 [0,1,0,0,1,0|0,0,0]=2 155 B12R1.226 O=C(O)CCc1cccc(F)c1 MC40203 [0,1,0,0,1,0|0,0,0]=2 156 B12R1.226 O=C(O)\C=C\C1=CC(Br)=CC=C1 CS21499 [0,1,0,0,1,0|0,0,2]=4 157 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 CS21503 [0,1,0,0,1,0|0,0,2]=4 158 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 MC40208 [0,1,0,0,1,0|0,0,2]=4 159 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 CS10976 [0,1,0,0,1,0|0,0,2]=4 160 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 MC40216 [0,1,0,0,1,0|0,0,2]=4 161 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 CS21739 [0,1,0,0,1,0|1,0,1]=4 162 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 MC21009 [0,1,0,0,0,1|0,0,0]=2 163 B14R1.423 O=C(O)CNC(=O)Cc1ccccc1 MC438092 [0,1,0,0,0,1|0,0,1]=3 164 B14R1.677 CC(=O)NCCOC1=CC=C(I)C=C1 MC112559 [0,1,0,0,0,1|2,0,0]=4 165 B14R1.677 CC1=CC=C(CSCCC(=O)O)C=C1 MC437973 [0,1,0,0,0,1|0,0,0]=2 166 B14R1.818 O=C(O)CC(=O)OCC1=CC=NC=C1 MC110597 [0,1,0,0,0,1|1,0,1]=4 167 B14R1.6449 CC(=O)N(C)CCCC1=CC=CC=C1 MC425591 [0,1,0,0,0,1|1,0,0]=3 168 B14R1.6449 NC(CCCC1=CC=CC=C1)C(=O)O CS11537 [0,1,0,0,0,1|0,0,0]=2 169 B14R1.6449 NC(COCC1=CC=CC=C1)C(=O)O CS14501 [0,1,0,0,0,1|0,0,0]=2 170 B14R1.6449 NC(COCC1=CC=CC=C1)C(=O)O CS18577 [0,1,0,0,0,1|0,0,0]=2 171 B14R1.6449 NC(CSCc1ccccc1)C(=O)O MC436898 [0,1,0,0,0,1|0,0,0]=2 172 B14R1.6449 NC(CSCc1ccccc1)C(=O)O MC436899 [0,1,0,0,0,1|0,0,0]=2 173 B14R1.160 Nc1ccccc1C(=O)NCC(=O)O MC436011 [0,2,0,0,0,0|1,0,1]=4 174 B14R1.415 CC(NC(=O)C1=CC=CC=C1)C(=O)O MC428110 [0,2,0,0,0,0|1,0,1]=4 175 B14R1.415 CC(NC(=O)c1ccccc1)C(=O)O MC436792 [0,2,0,0,0,0|1,0,1]=4 176 B14R1.415 CC(NC(=O)c1ccccc1)C(=O)O MC436793 [0,2,0,0,0,0|1,0,1]=4 177 B14R1.415 NC(CC(=O)C1=CC=CC=C1)C(=O)O CS17941 [0,2,0,0,0,0|0,0,1]=3 178 B14R1.678 CC1=CC=C(C(=O)CCC(=O)O)C=C1 MC442744 [0,2,0,0,0,0|0,0,1]=3 179 B14R1.678 NC1=CC=C(C(=O)NCC(=O)O)C=C1 MC443883 [0,2,0,0,0,0|1,0,1]=4 180 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Br)C=C1 MC425748 [0,2,0,0,0,0|0,0,1]=3 181 B14R1.678 O=C(O)CCC(=O)C1=CC=C(F)C=C1 CS10065 [0,2,0,0,0,0|0,0,1]=3 182 B14R1.678 O=C(O)CNC(=O)C1=CC=C(O)C=C1 MC437767 [0,2,0,0,0,0|1,0,1]=4 183 B14R1.813 O=C(O)CCP(=O)(O)C1=CC=CC=C1 MC20680 [0,2,0,0,0,0|1,0,0]=3 184 B14R1.76 N#CC1=CC=CC(OCCC(=O)O)=C1 MC427248 [0,2,0,0,0,0|1,0,0]=3 185 B14R1.154 O=C(O)CCCC1=C(Br)C(F)=CC=C1 MC429654 [0,2,0,0,0,0|0,0,0]=2 186 B14R1.5978 CC1=CC=CC(CC(=O)CC(=O)Cl)=C1 MC106004 [0,2,0,0,0,0|1,0,1]=4 187 B14R1.5978 CC1=CC=CC(CC(=O)CC(=O)O)=C1 MC105952 [0,2,0,0,0,0|0,0,1]=3 188 B14R1.5978 O=C(Cl)CC(=O)CC1=CC(Cl)=CC=C1 MC105998 [0,2,0,0,0,0|1,0,1]=4 189 B14R1.5978 O=C(Cl)CC(=O)CC1=CC(F)=CC=C1 MC106001 [0,2,0,0,0,0|1,0,1]=4 190 B14R1.5978 O=C(O)CC(=O)CC1=CC(Cl)=CC=C1 MC105946 [0,2,0,0,0,0|0,0,1]=3 191 B14R1.5978 O=C(O)CC(=O)CC1=CC(F)=CC=C1 MC105949 [0,2,0,0,0,0|0,0,1]=3 192 B14R1.161 NC(CCC1=C(O)C=CC=C1)C(=O)O MC443558 [0,2,0,0,0,0|0,0,0]=2 193 B14R1.337 CC1=C(CC(=O)CC(=O)Cl)C=CC=C1 MC106005 [0,2,0,0,0,0|1,0,1]=4 194 B14R1.337 CC1=C(CC(=O)CC(=O)O)C=CC=C1 MC105953 [0,2,0,0,0,0|0,0,1]=3 195 B14R1.337 O=C(Cl)CC(=O)CC1=C(Cl)C=CC=C1 MC105999 [0,2,0,0,0,0|1,0,1]=4 196 B14R1.337 O=C(Cl)CC(=O)CC1=C(F)C=CC=C1 MC106002 [0,2,0,0,0,0|1,0,1]=4 197 B14R1.337 O=C(O)CC(=O)CC1=C(Cl)C=CC=C1 MC105947 [0,2,0,0,0,0|0,0,1]=3 198 B14R1.337 O=C(O)CC(=O)CC1=C(F)C=CC=C1 MC105950 [0,2,0,0,0,0|0,0,1]=3 199 B14R1.425 NC(CC1=CC=CC=C1)C(O)C(=O)O CS19318 [0,2,0,0,0,0|0,0,0]=2 200 B14R1.425 NC(CC1=CC=CC=C1)C(O)C(=O)O MC100350 [0,2,0,0,0,0|0,0,0]=2 201 B14R1.698 CC1=CC=C(CC(=O)CC(=O)Cl)C=C1 MC106003 [0,2,0,0,0,0|1,0,1]=4 202 B14R1.698 CC1=CC=C(CC(=O)CC(=O)O)C=C1 MC105951 [0,2,0,0,0,0|0,0,1]=3 203 B14R1.698 NC(CC(=O)O)Cc1ccc(Br)cc1 MC439405 [0,2,0,0,0,0|0,0,0]=2 204 B14R1.698 O=C(Cl)CC(=O)CC1=CC=C(Cl)C=C1 MC105997 [0,2,0,0,0,0|1,0,1]=4 205 B14R1.698 O=C(Cl)CC(=O)CC1=CC=C(F)C=C1 MC106000 [0,2,0,0,0,0|1,0,1]=4 206 B14R1.698 O=C(O)CC(=O)CC1=CC=C(Cl)C=C1 MC105945 [0,2,0,0,0,0|0,0,1]=3 207 B14R1.698 O=C(O)CC(=O)CC1=CC=C(F)C=C1 MC105948 [0,2,0,0,0,0|0,0,1]=3 208 B14R1.679 NC(CCc1ccc(O)cc1)C(=O)O MC439117 [0,2,0,0,0,0|0,0,0]=2 209 B14R1.756 CCC(=O)C(C)OCC1=CC=CC=C1 MC418495 [0,2,0,0,0,0|2,0,0]=4 210 B14R1.756 COC(=O)C(N)CCc1ccccc1 MC439295 [0,2,0,0,0,0|0,0,0]=2 211 B14R1.4194 O=C(O)C(CO)NCc1ccccc1 MC436817 [0,2,0,0,0,0|1,0,0]=3 212 B14R1.4 COC1=CC=C(CCCC(=O)O)C=C1 CS21951 [0,2,0,0,0,0|0,0,0]=2 213 B14R1.4 COC1=CC=C(CCCC(N)=O)C=C1 MC10354 [0,2,0,0,0,0|1,0,0]=3 214 B14R1.13 COC(=O)CCCC1=CC=C(N)C=C1 CS11453 [0,2,0,0,0,0|0,0,0]=2 215 B14R1.520 CCOC(=O)CCNC1=NC=CC=C1 CS11737 [0,2,0,0,0,0|2,0,0]=4 216 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 CS15465 [0,2,0,0,0,0|1,0,0]=3 217 B14R1.520 CCOC(=O)COCC1=CC=CC=C1 MC103279 [0,2,0,0,0,0|1,0,0]=3 218 B14R1.520 CCOC(=O)NCCC1=CC=CC=C1 CS16805 [0,2,0,0,0,0|1,0,0]=3 219 B14R1.520 N#CCC(=O)COCC1=CC=CC=C1 MC103280 [0,2,0,0,0,0|2,0,0]=4 220 B12R2.1 CNC1CCC2=CC=CC=C21 MC431440 [1,0,0,1,0,0|2,0,0]=4 221 B12R2.1 N#CC1CCC2=CC=CC=C21 CS13197 [1,0,0,1,0,0|1,0,1]=4 222 B12R2.2 C1=CC=C(C2CCCN2)C=C1 CS11140 [1,0,0,1,0,0|1,0,1]=4 223 B12R2.2 C1=CC=C(C2CCCN2)C=C1 CS17953 [1,0,0,1,0,0|1,0,1]=4 224 B12R2.2 C1=CC=C(C2CCCN2)C=C1 MC105777 [1,0,0,1,0,0|1,0,1]=4 225 B12R2.2 C1=CC=C(C2CCNC2)C=C1 MC106676 [1,0,0,1,0,0|2,0,0]=4 226 B12R2.23 O=C1CCC1C2=CC=CC=C2 MC104226 [1,0,0,1,0,0|0,0,0]=2 227 B12R2.41 C1=CC2=C(C=C1)CNCCC2 CS12567 [1,0,0,1,0,0|2,0,0]=4 228 B12R2.41 C1=CC2=C(C=C1)NCCCC2 CS18041 [1,0,0,1,0,0|1,0,1]=4 229 B12R2.1081 NC1CCCC2=CC=CC=C21 CS13980 [1,0,0,1,0,0|1,0,1]=4 230 B12R2.1081 O=C1CCCC2=C1C=CC=N2 CS18351 [1,0,0,1,0,0|1,0,0]=3 231 B12R2.1081 O=C1CCCC2=C1C=CN=C2 CS16479 [1,0,0,1,0,0|1,0,0]=3 232 B12R2.1081 O=C1CCCC2=C1C=NC=C2 CS18873 [1,0,0,1,0,0|1,0,0]=3 233 B12R2.1081 O=C1CCCC2=C1N=CC=C2 CS15049 [1,0,0,1,0,0|1,0,0]=3 234 B12R2.1081 O=C1CCCC2=CC=CC=C12 CS14809 [1,0,0,1,0,0|0,0,0]=2 235 B12R2.1081 O=C1CCNC2=CC=CC=C12 CS15321 [1,0,0,1,0,0|1,0,0]=3 236 B12R2.1081 O=C1CCNC2=CC=CC=C12 MC441207 [1,0,0,1,0,0|1,0,0]=3 237 B12R2.1081 O=C1CCOC2=CC=CC=C12 CS22800 [1,0,0,1,0,0|1,0,0]=3 238 B12R2.1081 O=C1COCC2=C1C=CC=C2 MC41773 [1,0,0,1,0,0|1,0,0]=3 239 B12R2.1081 O=C1NCCC2=CC=CC=C12 CS17872 [1,0,0,1,0,0|1,0,0]=3 240 B12R2.1081 O=C1NCCC2=CC=NC=C12 MC104301 [1,0,0,1,0,0|2,0,0]=4 241 B12R2.1081 O=C1OCCC2=CC=CC=C12 CS12987 [1,0,0,1,0,0|1,0,0]=3 242 B12R2.1081 OC1CCCC2=C1N=CC=C2 CS18737 [1,0,0,1,0,0|1,0,1]=4 243 B12R2.1081 OC1CNCC2=CC=CC=C21 MC111757 [1,0,0,1,0,0|1,0,1]=4 244 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 MC105058 [0,0,0,1,1,0|1,0,0]=3 245 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 MC440135 [0,0,0,1,1,0|1,0,0]=3 246 B12R2.24 O=C1CCC2=CC=CC=C2N1 CS11038 [0,0,0,1,1,0|1,0,0]=3 247 B12R2.24 O=C1CCC2=CC=CN=C2N1 MC113033 [0,0,0,1,1,0|2,0,0]=4 248 B12R2.24 O=C1CCC2=CN=CC=C2N1 MC105357 [0,0,0,1,1,0|2,0,0]=4 249 B12R2.24 O=C1CCc2ccccc2O1 MC41795 [0,0,0,1,1,0|0,0,0]=2 250 B12R2.24 O=C1COC2=C(C=CC=C2)N1 CS21568 [0,0,0,1,1,0|2,0,0]=4 251 B12R2.24 O=C1CSC2=CC=CC=C2C1 MC107174 [0,0,0,1,1,0|2,0,0]=4 252 B12R2.114 O=C1CCCC2=C(C=CS2)N1 MC121300 [0,0,0,1,1,0|2,0,0]=4 253 B14R2.2 O=C(O)CC1=CNC2=CC=CC=C12 CS11357 [0,0,0,1,0,1|0,0,2]=4 254 B14R2.2 O=C(O)CC1=COC2=C1C=CC=C2 CS11310 [0,0,0,1,0,1|0,0,2]=4 255 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 CS22300 [0,0,0,1,0,1|1,0,0]=3 256 B14R2.19 O=C1NC(CC2=CC=CC=C2)CO1 CS10013 [0,0,0,1,0,1|1,0,0]=3 257 B14R2.19 O=C1NC(CC2=CC=CC=C2)CO1 CS10014 [0,0,0,1,0,1|1,0,0]=3 258 B14R2.19 OC1CCN(CC2=CC=CC=C2)C1 CS15917 [0,0,0,1,0,1|1,0,1]=4 259 B14R2.19 S=C1NC(CC2=CC=CC=C2)CO1 MC114954 [0,0,0,1,0,1|1,1,0]=4 260 B14R2.21 O=C1CC(C2=CC=CC=C2)CCN1 CS15109 [0,0,0,1,0,1|1,0,0]=3 261 B14R2.21 O=C1CCCC(C2=CC=CC=C2)N1 MC116196 [0,0,0,1,0,1|1,0,0]=3 262 B14R2.21 O=C1CCCC(C2=CC=NC=C2)C1 MC106126 [0,0,0,1,0,1|2,0,0]=4 263 B14R2.21 O=C1CCNC(C2=CC=CC=C2)C1 MC106734 [0,0,0,1,0,1|1,0,0]=3 264 B14R2.21 O=C1CCOC(C2=CC=CC=C2)C1 CS21738 [0,0,0,1,0,1|1,0,0]=3 265 B14R2.436 O=C1CC(OCC2=CC=CC=C2)C1 CS12839 [0,0,0,1,0,1|1,0,0]=3 266 B14R2.3018 C1=CC=C(COCCC2CO2)C=C1 MC425595 [0,0,0,1,0,1|1,0,1]=4 267 B14R2.31359 O=C(O)C1CCCC2=CC=CC=C21 CS11412 [0,0,0,1,0,1|0,0,0]=2 268 B14R2.31359 O=C(O)C1NCCC2=CC=CC=C21 CS11277 [0,0,0,1,0,1|0,0,0]=2 269 B14R2.31359 O=C(O)C1NCCC2=CC=CC=C21 MC106696 [0,0,0,1,0,1|0,0,0]=2 270 B14R2.68 O=C1CCN(C2=CC=CC=C2)CC1 MC442722 [0,1,0,1,0,0|2,0,0]=4 271 B14R2.68 O=C1CNC(C2=CC=CC=C2)CO1 MC428330 [0,1,0,1,0,0|1,0,0]=3 272 B14R2.68 O=C1COC(C2=CC=CC=C2)CN1 CS13118 [0,1,0,1,0,0|1,0,0]=3 273 B14R2.287 O=C1CCC(=O)C2=C(C=CC=C2)N1 MC104102 [0,1,0,1,0,0|1,0,1]=4 274 B14R2.9520 O=C(O)C1CC1(F)C2=CC=CC=C2 MC425304 [0,1,0,1,0,0|0,0,0]=2 275 B14R2.22 Nc1cccc(C2CNC(=O)C2)c1 MC100202 [0,1,0,1,0,0|2,0,0]=4 276 B14R2.22 O=C1CC(C2=CC(Br)=CC=C2)CN1 MC100201 [0,1,0,1,0,0|2,0,0]=4 277 B14R2.4476 O=C(O)C1CC1C2=CC(Br)=CC=C2 MC105687 [0,1,0,1,0,0|0,0,0]=2 278 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)O1 CS21317 [0,1,0,1,0,0|0,0,2]=4 279 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2N1 MC10334 [0,1,0,1,0,0|0,0,2]=4 280 B14R2.781 O=C(O)C1CC2=CC=CC=C2CN1 CS10016 [0,1,0,1,0,0|1,0,0]=3 281 B14R2.781 O=C(O)C1CC2=CC=CC=C2CN1 CS11441 [0,1,0,1,0,0|1,0,0]=3 282 B14R2.781 O=C(O)C1CC2=CC=CC=C2CN1 MC438185 [0,1,0,1,0,0|1,0,0]=3 283 B14R2.781 O=C(O)C1CC2=CC=CC=C2CN1 MC438186 [0,1,0,1,0,0|1,0,0]=3 284 B14R2.781 O=C(O)C1CNC2=CC=CC=C2C1 MC106685 [0,1,0,1,0,0|1,0,0]=3 285 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)O1 CS14213 [0,1,0,1,0,0|1,0,0]=3 286 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)O1 CS15696 [0,1,0,1,0,0|1,0,0]=3 287 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)O1 CS15697 [0,1,0,1,0,0|1,0,0]=3 288 B14R2.8032 O=C(O)C1CCC2=C(O)C=CC=C21 MC110581 [0,1,0,1,0,0|0,0,0]=2 289 B14R2.31 O=C1CCC1OCC2=CC=CC=C2 MC104292 [0,1,0,1,0,0|2,0,0]=4 290 B14R2.260 CC1CN(C2=CC=CC=C2)NC1=O CS10019 [0,1,0,1,0,0|2,0,0]=4 291 B14R2.741 O=C1NC2=C(C=CC=C2)CCC1Br CS10004 [0,1,0,1,0,0|1,0,0]=3 292 B14R2.20 O=C1CC(C2=CC=C(F)C=C2)CN1 MC431580 [0,1,0,1,0,0|2,0,0]=4 293 B14R2.4402 O=C(O)C1CC1C2=CC=C(Br)C=C2 MC111944 [0,1,0,1,0,0|0,0,0]=2 294 B14R2.5816 O=C(O)C1CCC2=CC=C(Cl)C=C21 CS16324 [0,1,0,1,0,0|0,0,0]=2 295 B14R2.95 O=C(CBr)C1NCC2=CC=CC=C21 MC106281 [0,1,0,1,0,0|2,0,0]=4 296 B14R2.95 O=C(CCl)C1NCC2=CC=CC=C21 MC106280 [0,1,0,1,0,0|2,0,0]=4 297 B10R1.18 CC(=O)CC1=CC=CN=C1 MC102696 [0,0,0,0,2,0|2,0,0]=4 298 B10R1.18 CC(=O)CC1=CC=NC=C1 CS20988 [0,0,0,0,2,0|2,0,0]=4 299 B10R1.18 CC(=O)CC1=NC=CC=C1 CS20802 [0,0,0,0,2,0|2,0,0]=4 300 B10R1.18 CC(=O)NC1=CC=CC=C1 MC34102 [0,0,0,0,2,0|2,0,0]=4 301 B10R1.18 NC(=O)NC1=CC=CC=C1 CS10533 [0,0,0,0,2,0|2,0,0]=4 302 B10R1.18 NC(=O)OC1=CC=CC=C1 MC428148 [0,0,0,0,2,0|2,0,0]=4 303 B10R1.18 O=C(Cl)OC1=CC=CC=C1 CS18823 [0,0,0,0,2,0|2,0,0]=4 304 B10R1.18 O=C(O)CC1=CC=CN=C1 CS20325 [0,0,0,0,2,0|1,0,0]=3 305 B10R1.18 O=C(O)CC1=CC=CN=N1 MC103920 [0,0,0,0,2,0|2,0,0]=4 306 B10R1.18 O=C(O)CC1=CC=NC=C1 CS20327 [0,0,0,0,2,0|1,0,0]=3 307 B10R1.18 O=C(O)CC1=CC=NC=C1 MC41632 [0,0,0,0,2,0|1,0,0]=3 308 B10R1.18 O=C(O)CC1=CN=CN=C1 CS10494 [0,0,0,0,2,0|2,0,0]=4 309 B10R1.18 O=C(O)CC1=CN=NC=C1 MC103838 [0,0,0,0,2,0|2,0,0]=4 310 B10R1.18 O=C(O)CC1=NC=CC=C1 MC41631 [0,0,0,0,2,0|1,0,0]=3 311 B10R1.18 O=C(O)CC1=NC=CC=N1 MC102381 [0,0,0,0,2,0|2,0,0]=4 312 B10R1.18 O=C(O)CC1=NC=NC=C1 MC113226 [0,0,0,0,2,0|2,0,0]=4 313 B10R1.18 O=C([O-])CC1=CC=CC=C1 MC34448 [0,0,0,0,2,0|0,0,1]=3 314 B10R1.66 O=C(O)CCC1=CC=CN1 CS21786 [0,0,0,0,2,0|1,0,0]=3 315 B10R1.66 O=C(O)CCC1=CC=CO1 MC41688 [0,0,0,0,2,0|1,0,0]=3 316 B10R1.66 O=C(O)CCC1=CNC=C1 MC430255 [0,0,0,0,2,0|1,0,0]=3 317 B10R1.66 O=C(O)CCC1=CNC=N1 MC436928 [0,0,0,0,2,0|2,0,0]=4