0 B12R1.261 C=C(C)c1ccccc1B(O)O 271570a_100000694244_100000693059 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.261 C=C(C)c1ccccc1C(=O)C 271570a_100000694244_100000751169 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.261 C=C(C)c1ccccc1C(=O)N 271570a_100000694244_100000162227 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.261 C=C(C)c1ccccc1C(C)O 271570a_100000694244_100000702211 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.261 C=C(C)c1ccccc1S(=O)C 271570a_100000694244_100000734199 [0,0,0,0,0,0|4,0,0]=4 5 B12R1.261 C=C(C)c1cccnc1C(=O)C 271570a_100000694244_100012348690 [0,0,0,0,0,0|4,0,0]=4 6 B12R1.261 C=C(C)c1cccnc1C(=O)N 271570a_100000694244_200012359670 [0,0,0,0,0,0|4,0,0]=4 7 B12R1.261 C=C(C)c1ccncc1C(=O)C 271570a_100000694244_100160469449 [0,0,0,0,0,0|4,0,0]=4 8 B12R1.261 C=C(C)c1ccncc1C(=O)N 271570a_100000694244_100000697804 [0,0,0,0,0,0|4,0,0]=4 9 B12R1.261 C=C(C)c1cnccc1C(=O)C 271570a_100000694244_100009993184 [0,0,0,0,0,0|4,0,0]=4 10 B12R1.261 C=C(C)c1cnccc1C(=O)N 271570a_100000694244_100010205435 [0,0,0,0,0,0|4,0,0]=4 11 B12R1.261 C=C(C)c1ncccc1C(=O)C 271570a_100000694244_100000753718 [0,0,0,0,0,0|4,0,0]=4 12 B12R1.261 C=C(C)c1ncccc1C(=O)N 271570a_100000694244_100000162199 [0,0,0,0,0,0|4,0,0]=4 13 B12R1.261 CC(=O)c1ccccc1C(C)C 1458a_100011941426_200000210301 [0,0,0,0,0,0|3,0,1]=4 14 B12R1.261 CC(=O)c1ccccc1C(F)F 1458a_100009872251_200000210301 [0,0,0,0,0,0|3,0,1]=4 15 B12R1.261 CC(=O)c1ccccc1I(=O)=O 1458a_100000061294_200000210301 [0,0,0,0,0,0|2,0,1]=3 16 B12R1.261 CC(=O)c1ccccc1N(C)C 1458a_100011218752_200000210301 [0,0,0,0,0,0|4,0,0]=4 17 B12R1.261 CC(=O)c1ccccc1S(=O)C 1458a_100000204632_200000210301 [0,0,0,0,0,0|3,0,0]=3 18 B12R1.261 CC(=O)c1ccccc1[N+](=O)[O-] 1458a_100000188706_200000210301 [0,0,0,0,0,0|2,0,1]=3 19 B12R1.261 CC(C)c1ccccc1C(=O)[13CH3] 1458a_100011941426_200025704644 [0,0,0,0,0,0|3,0,1]=4 20 B12R1.261 CN(C)c1ccccc1C(=O)N 269982a_100000184419_200000210301 [0,0,0,0,0,0|4,0,0]=4 21 B12R1.261 CN(C)c1ccccc1C(=O)[13CH3] 1458a_100011218752_200025704644 [0,0,0,0,0,0|4,0,0]=4 22 B12R1.261 CN([13CH3])c1ccccc1C(=O)N 269982a_100000184419_200025704644 [0,0,0,0,0,0|4,0,0]=4 23 B12R1.261 CS(=O)c1ccccc1C(=O)[13CH3] 1458a_100000204632_200025704644 [0,0,0,0,0,0|3,0,0]=3 24 B12R1.261 [13CH3]C(=O)c1ccccc1C(F)F 1458a_100009872251_200025704644 [0,0,0,0,0,0|3,0,1]=4 25 B12R1.261 [13CH3]C(=O)c1ccccc1I(=O)=O 1458a_100000061294_200025704644 [0,0,0,0,0,0|2,0,1]=3 26 B12R1.261 [13CH3]C(=O)c1ccccc1[N+](=O)[O-] 1458a_100000188706_200025704644 [0,0,0,0,0,0|2,0,1]=3 27 B11R1.53 C#Cc1ccccc1C(=O)C 1458a_100011243808_200000210301 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.53 C#Cc1ccccc1C(=O)[13CH3] 1458a_100011243808_200025704644 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.53 C=C(C)c1ccccc1C=O 271570a_100000694244_100000211189 [1,0,0,0,0,0|2,0,0]=3 30 B11R1.53 C=C(C)c1ccccc1CO 271570a_100000694244_100000187465 [1,0,0,0,0,0|2,0,1]=4 31 B11R1.53 C=C(C)c1cccnc1C=O 271570a_100000694244_100011934733 [1,0,0,0,0,0|3,0,0]=4 32 B11R1.53 C=C(C)c1ccncc1C=O 271570a_100000694244_100000050567 [1,0,0,0,0,0|3,0,0]=4 33 B11R1.53 C=C(C)c1cnccc1C=O 271570a_100000694244_100011934409 [1,0,0,0,0,0|3,0,0]=4 34 B11R1.53 C=C(C)c1ncccc1C=O 271570a_100000694244_100009816751 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.53 C=Cc1ccccc1B(O)O 271570a_100011290941_100000693059 [1,0,0,0,0,0|2,0,1]=4 36 B11R1.53 C=Cc1ccccc1C(=O)C 1458a_100011830265_200000210301 [1,0,0,0,0,0|2,0,0]=3 37 B11R1.53 C=Cc1ccccc1C(=O)C 271570a_100011290941_100000751169 [1,0,0,0,0,0|2,0,0]=3 38 B11R1.53 C=Cc1ccccc1C(=O)N 271570a_100011290941_100000162227 [1,0,0,0,0,0|2,0,0]=3 39 B11R1.53 C=Cc1ccccc1C(=O)[13CH3] 1458a_100011830265_200025704644 [1,0,0,0,0,0|2,0,0]=3 40 B11R1.53 C=Cc1ccccc1C(C)O 271570a_100011290941_100000702211 [1,0,0,0,0,0|2,0,1]=4 41 B11R1.53 C=Cc1ccccc1S(=O)C 271570a_100011290941_100000734199 [1,0,0,0,0,0|3,0,0]=4 42 B11R1.53 C=Cc1cccnc1C(=O)C 271570a_100011290941_100012348690 [1,0,0,0,0,0|3,0,0]=4 43 B11R1.53 C=Cc1cccnc1C(=O)N 271570a_100011290941_200012359670 [1,0,0,0,0,0|3,0,0]=4 44 B11R1.53 C=Cc1ccncc1C(=O)C 271570a_100011290941_100160469449 [1,0,0,0,0,0|3,0,0]=4 45 B11R1.53 C=Cc1ccncc1C(=O)N 271570a_100011290941_100000697804 [1,0,0,0,0,0|3,0,0]=4 46 B11R1.53 C=Cc1cnccc1C(=O)C 271570a_100011290941_100009993184 [1,0,0,0,0,0|3,0,0]=4 47 B11R1.53 C=Cc1cnccc1C(=O)N 271570a_100011290941_100010205435 [1,0,0,0,0,0|3,0,0]=4 48 B11R1.53 C=Cc1ncccc1C(=O)C 271570a_100011290941_100000753718 [1,0,0,0,0,0|3,0,0]=4 49 B11R1.53 C=Cc1ncccc1C(=O)N 271570a_100011290941_100000162199 [1,0,0,0,0,0|3,0,0]=4 50 B11R1.53 CC(=O)c1ccccc1C#N 1458a_100000742908_200000210301 [1,0,0,0,0,0|2,0,1]=4 51 B11R1.53 CC(=O)c1ccccc1CO 1458a_100011301526_200000210301 [1,0,0,0,0,0|1,0,1]=3 52 B11R1.53 CC(=O)c1ccccc1I=O 1458a_100000032414_200000210301 [1,0,0,0,0,0|2,0,0]=3 53 B11R1.53 CC(=O)c1ccccc1S[13CH3] 62a_100000751169_200025704644 [1,0,0,0,0,0|3,0,0]=4 54 B11R1.53 CCc1ccccc1C(=O)C 1458a_100000689120_200000210301 [1,0,0,0,0,0|2,0,1]=4 55 B11R1.53 CCc1ccccc1C(=O)[13CH3] 1458a_100000689120_200025704644 [1,0,0,0,0,0|2,0,1]=4 56 B11R1.53 CNc1ccccc1C(=O)N 34a_100000185089_200000210301 [1,0,0,0,0,0|3,0,0]=4 57 B11R1.53 COc1ccccc1C(=O)C 1458a_100000185835_200000210301 [1,0,0,0,0,0|3,0,0]=4 58 B11R1.53 COc1ccccc1C(=O)N 34a_100000192804_200000210301 [1,0,0,0,0,0|3,0,0]=4 59 B11R1.53 COc1ccccc1C(=O)N 7a_100000192804_200000210301 [1,0,0,0,0,0|3,0,0]=4 60 B11R1.53 COc1ccccc1C(=O)[13CH3] 1458a_100000185835_200025704644 [1,0,0,0,0,0|3,0,0]=4 61 B11R1.53 COc1ccccc1C(=O)[O-] 7a_100015234032_200000210301 [1,0,0,0,0,0|2,0,1]=4 62 B11R1.53 CSc1ccccc1C(=O)C 1458a_100000183967_200000210301 [1,0,0,0,0,0|3,0,0]=4 63 B11R1.53 CSc1ccccc1C(=O)C 62a_100000751169_200000210301 [1,0,0,0,0,0|3,0,0]=4 64 B11R1.53 CSc1ccccc1C(=O)N 62a_100000162227_200000210301 [1,0,0,0,0,0|3,0,0]=4 65 B11R1.53 CSc1ccccc1C(=O)N 62a_200000210301_100000162227 [1,0,0,0,0,0|3,0,0]=4 66 B11R1.53 CSc1ccccc1C(=O)O 62a_200000210301_100000734275 [1,0,0,0,0,0|2,0,0]=3 67 B11R1.53 CSc1ccccc1C(=O)O 62a_202125556159_200000210301 [1,0,0,0,0,0|2,0,0]=3 68 B11R1.53 CSc1ccccc1C(=O)[13CH3] 1458a_100000183967_200025704644 [1,0,0,0,0,0|3,0,0]=4 69 B11R1.53 [13CH3]C(=O)c1ccccc1C#N 1458a_100000742908_200025704644 [1,0,0,0,0,0|2,0,1]=4 70 B11R1.53 [13CH3]C(=O)c1ccccc1CO 1458a_100011301526_200025704644 [1,0,0,0,0,0|1,0,1]=3 71 B11R1.53 [13CH3]C(=O)c1ccccc1I=O 1458a_100000032414_200025704644 [1,0,0,0,0,0|2,0,0]=3 72 B11R1.53 [13CH3]Nc1ccccc1C(=O)N 34a_100000185089_200025704644 [1,0,0,0,0,0|3,0,0]=4 73 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 34a_100000192804_200025704644 [1,0,0,0,0,0|3,0,0]=4 74 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 7a_100000192804_200025704644 [1,0,0,0,0,0|3,0,0]=4 75 B11R1.53 [13CH3]Oc1ccccc1C(=O)[O-] 7a_100015234032_200025704644 [1,0,0,0,0,0|2,0,1]=4 76 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_100000162227_200025704644 [1,0,0,0,0,0|3,0,0]=4 77 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_200025704644_100000162227 [1,0,0,0,0,0|3,0,0]=4 78 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_200025704644_100000734275 [1,0,0,0,0,0|2,0,0]=3 79 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_202125556159_200025704644 [1,0,0,0,0,0|2,0,0]=3 80 B13R1.165 C=C(C)c1cc(ccc1C(=O)C)C 271570a_100000694244_100012353930 [0,1,0,0,0,0|3,0,0]=4 81 B13R1.165 C=C(C)c1cc(ccc1C(=O)C)F 271570a_100000694244_100000686192 [0,1,0,0,0,0|3,0,0]=4 82 B13R1.165 C=C(C)c1cc(ccc1C(=O)C)O 271570a_100000694244_100012340537 [0,1,0,0,0,0|3,0,0]=4 83 B13R1.165 C=C(C)c1cc(ccc1C(=O)N)Br 271570a_100000694244_100009815748 [0,1,0,0,0,0|3,0,0]=4 84 B13R1.165 C=C(C)c1cc(ccc1C(=O)N)F 271570a_100000694244_100000206404 [0,1,0,0,0,0|3,0,0]=4 85 B13R1.165 C=C(C)c1ccc(cc1C(=O)C)Br 271570a_100000694244_100012349576 [0,1,0,0,0,0|3,0,0]=4 86 B13R1.165 C=C(C)c1ccc(cc1C(=O)C)C 271570a_100000694244_100012361225 [0,1,0,0,0,0|3,0,0]=4 87 B13R1.165 C=C(C)c1ccc(cc1C(=O)C)F 271570a_100000694244_100012353695 [0,1,0,0,0,0|3,0,0]=4 88 B13R1.165 C=C(C)c1ccc(cc1C(=O)C)N 271570a_100000694244_100012349454 [0,1,0,0,0,0|3,0,0]=4 89 B13R1.165 C=C(C)c1ccc(cc1C(=O)N)Br 271570a_100000694244_200000162314 [0,1,0,0,0,0|3,0,0]=4 90 B13R1.165 C=C(C)c1ccc(cc1C(=O)N)C 271570a_100000694244_200012349609 [0,1,0,0,0,0|3,0,0]=4 91 B13R1.165 C=C(C)c1ccc(cc1C(=O)N)F 271570a_100000694244_100000206434 [0,1,0,0,0,0|3,0,0]=4 92 B13R1.165 C=C(C)c1ccc(cc1C(=O)N)N 271570a_100000694244_100015186447 [0,1,0,0,0,0|3,0,0]=4 93 B13R1.165 CC(=O)c1cc(ccc1[N+](=O)[O-])Br 1458a_100009992657_200000210301 [0,1,0,0,0,0|2,0,1]=4 94 B13R1.165 CC(=O)c1cc(ccc1[N+](=O)[O-])C 1458a_100000763269_200000210301 [0,1,0,0,0,0|2,0,1]=4 95 B13R1.165 CC(=O)c1cc(ccc1[N+](=O)[O-])Cl 1458a_100000210914_200000210301 [0,1,0,0,0,0|2,0,1]=4 96 B13R1.165 CC(=O)c1cc(ccc1[N+](=O)[O-])I 1458a_100010186413_200000210301 [0,1,0,0,0,0|2,0,1]=4 97 B13R1.165 CC(=O)c1cc(ccc1[N+](=O)[O-])O 1458a_100000692585_200000210301 [0,1,0,0,0,0|2,0,1]=4 98 B13R1.165 CC(=O)c1ccc(cc1[N+](=O)[O-])Br 1458a_100000767047_200000210301 [0,1,0,0,0,0|2,0,1]=4 99 B13R1.165 CC(=O)c1ccc(cc1[N+](=O)[O-])C 1458a_100011827699_200000210301 [0,1,0,0,0,0|2,0,1]=4 100 B13R1.165 CC(=O)c1ccc(cc1[N+](=O)[O-])Cl 1458a_100000210460_200000210301 [0,1,0,0,0,0|2,0,1]=4 101 B13R1.165 CC(=O)c1ccc(cc1[N+](=O)[O-])F 1458a_100000686224_200000210301 [0,1,0,0,0,0|2,0,1]=4 102 B13R1.165 CC(=O)c1ccc(cc1[N+](=O)[O-])I 1458a_100000718686_200000210301 [0,1,0,0,0,0|2,0,1]=4 103 B13R1.165 CC(=O)c1ccc(cc1[N+](=O)[O-])O 1458a_100000701580_200000210301 [0,1,0,0,0,0|2,0,1]=4 104 B13R1.165 Cc1ccc(c(c1)C(=O)[13CH3])[N+](=O)[O-] 1458a_100000763269_200025704644 [0,1,0,0,0,0|2,0,1]=4 105 B13R1.165 Cc1ccc(c(c1)[N+](=O)[O-])C(=O)[13CH3] 1458a_100011827699_200025704644 [0,1,0,0,0,0|2,0,1]=4 106 B13R1.165 [13CH3]C(=O)c1cc(ccc1[N+](=O)[O-])Br 1458a_100009992657_200025704644 [0,1,0,0,0,0|2,0,1]=4 107 B13R1.165 [13CH3]C(=O)c1cc(ccc1[N+](=O)[O-])Cl 1458a_100000210914_200025704644 [0,1,0,0,0,0|2,0,1]=4 108 B13R1.165 [13CH3]C(=O)c1cc(ccc1[N+](=O)[O-])I 1458a_100010186413_200025704644 [0,1,0,0,0,0|2,0,1]=4 109 B13R1.165 [13CH3]C(=O)c1cc(ccc1[N+](=O)[O-])O 1458a_100000692585_200025704644 [0,1,0,0,0,0|2,0,1]=4 110 B13R1.165 [13CH3]C(=O)c1ccc(cc1[N+](=O)[O-])Br 1458a_100000767047_200025704644 [0,1,0,0,0,0|2,0,1]=4 111 B13R1.165 [13CH3]C(=O)c1ccc(cc1[N+](=O)[O-])Cl 1458a_100000210460_200025704644 [0,1,0,0,0,0|2,0,1]=4 112 B13R1.165 [13CH3]C(=O)c1ccc(cc1[N+](=O)[O-])F 1458a_100000686224_200025704644 [0,1,0,0,0,0|2,0,1]=4 113 B13R1.165 [13CH3]C(=O)c1ccc(cc1[N+](=O)[O-])I 1458a_100000718686_200025704644 [0,1,0,0,0,0|2,0,1]=4 114 B13R1.165 [13CH3]C(=O)c1ccc(cc1[N+](=O)[O-])O 1458a_100000701580_200025704644 [0,1,0,0,0,0|2,0,1]=4 115 B13R1.295 C=C(C)c1c(cccc1C(=O)C)F 271570a_100000694244_100012362612 [0,1,0,0,0,0|3,0,0]=4 116 B13R1.295 C=C(C)c1c(cccc1C(=O)N)C 271570a_100000694244_200011409216 [0,1,0,0,0,0|3,0,0]=4 117 B13R1.295 C=C(C)c1c(cccc1C(=O)N)F 271570a_100000694244_200012351544 [0,1,0,0,0,0|3,0,0]=4 118 B13R1.295 C=C(C)c1cccc(c1C(=O)C)F 271570a_100000694244_100012351873 [0,1,0,0,0,0|3,0,0]=4 119 B13R1.295 C=C(C)c1cccc(c1C(=O)C)O 271570a_100000694244_100010174959 [0,1,0,0,0,0|3,0,0]=4 120 B13R1.295 C=C(C)c1cccc(c1C(=O)N)Cl 271570a_100000694244_100010147686 [0,1,0,0,0,0|3,0,0]=4 121 B13R1.295 C=C(C)c1cccc(c1C(=O)N)F 271570a_100000694244_100011219063 [0,1,0,0,0,0|3,0,0]=4 122 B13R1.295 CC(=O)c1c(cccc1[N+](=O)[O-])Br 1458a_100000690006_200000210301 [0,1,0,0,0,0|2,0,1]=4 123 B13R1.295 CC(=O)c1c(cccc1[N+](=O)[O-])C 1458a_100000234352_200000210301 [0,1,0,0,0,0|2,0,1]=4 124 B13R1.295 CC(=O)c1c(cccc1[N+](=O)[O-])Cl 1458a_100000752432_200000210301 [0,1,0,0,0,0|2,0,1]=4 125 B13R1.295 CC(=O)c1c(cccc1[N+](=O)[O-])F 1458a_100011219868_200000210301 [0,1,0,0,0,0|2,0,1]=4 126 B13R1.295 CC(=O)c1c(cccc1[N+](=O)[O-])O 1458a_100012186653_200000210301 [0,1,0,0,0,0|2,0,1]=4 127 B13R1.295 CC(=O)c1cccc(c1[N+](=O)[O-])Br 1458a_100010232116_200000210301 [0,1,0,0,0,0|2,0,1]=4 128 B13R1.295 CC(=O)c1cccc(c1[N+](=O)[O-])C 1458a_100000211462_200000210301 [0,1,0,0,0,0|2,0,1]=4 129 B13R1.295 CC(=O)c1cccc(c1[N+](=O)[O-])Cl 1458a_100000766603_200000210301 [0,1,0,0,0,0|2,0,1]=4 130 B13R1.295 CC(=O)c1cccc(c1[N+](=O)[O-])F 1458a_100000068878_200000210301 [0,1,0,0,0,0|2,0,1]=4 131 B13R1.295 CC(=O)c1cccc(c1[N+](=O)[O-])O 1458a_100000688640_200000210301 [0,1,0,0,0,0|2,0,1]=4 132 B13R1.295 Cc1cccc(c1C(=O)[13CH3])[N+](=O)[O-] 1458a_100000234352_200025704644 [0,1,0,0,0,0|2,0,1]=4 133 B13R1.295 Cc1cccc(c1[N+](=O)[O-])C(=O)[13CH3] 1458a_100000211462_200025704644 [0,1,0,0,0,0|2,0,1]=4 134 B13R1.295 [13CH3]C(=O)c1c(cccc1[N+](=O)[O-])Br 1458a_100000690006_200025704644 [0,1,0,0,0,0|2,0,1]=4 135 B13R1.295 [13CH3]C(=O)c1c(cccc1[N+](=O)[O-])Cl 1458a_100000752432_200025704644 [0,1,0,0,0,0|2,0,1]=4 136 B13R1.295 [13CH3]C(=O)c1c(cccc1[N+](=O)[O-])F 1458a_100011219868_200025704644 [0,1,0,0,0,0|2,0,1]=4 137 B13R1.295 [13CH3]C(=O)c1c(cccc1[N+](=O)[O-])O 1458a_100012186653_200025704644 [0,1,0,0,0,0|2,0,1]=4 138 B13R1.295 [13CH3]C(=O)c1cccc(c1[N+](=O)[O-])Br 1458a_100010232116_200025704644 [0,1,0,0,0,0|2,0,1]=4 139 B13R1.295 [13CH3]C(=O)c1cccc(c1[N+](=O)[O-])Cl 1458a_100000766603_200025704644 [0,1,0,0,0,0|2,0,1]=4 140 B13R1.295 [13CH3]C(=O)c1cccc(c1[N+](=O)[O-])F 1458a_100000068878_200025704644 [0,1,0,0,0,0|2,0,1]=4 141 B13R1.295 [13CH3]C(=O)c1cccc(c1[N+](=O)[O-])O 1458a_100000688640_200025704644 [0,1,0,0,0,0|2,0,1]=4 142 B13R1.349 CC(=O)c1ccccc1S(=O)(=O)C 1458a_100000185186_200000210301 [0,1,0,0,0,0|2,0,1]=4 143 B13R1.349 CC(=O)c1ccccc1S(=O)(=O)N 1458a_100015187736_200000210301 [0,1,0,0,0,0|2,0,1]=4 144 B13R1.349 CS(=O)(=O)c1ccccc1C(=O)[13CH3] 1458a_100000185186_200025704644 [0,1,0,0,0,0|2,0,1]=4 145 B13R1.349 [13CH3]C(=O)c1ccccc1S(=O)(=O)N 1458a_100015187736_200025704644 [0,1,0,0,0,0|2,0,1]=4 146 B13R1.547 C=C(C)c1ccccc1C(=O)NC 271570a_100000694244_100000155073 [0,1,0,0,0,0|3,0,0]=4 147 B13R1.547 C=C(C)c1ccccc1C(=O)NN 271570a_100000694244_100000190081 [0,1,0,0,0,0|3,0,0]=4 148 B13R1.547 C=C(C)c1ccccc1C(=O)OC 271570a_100000694244_100000148710 [0,1,0,0,0,0|2,0,0]=3 149 B13R1.547 C=C(C)c1cccnc1C(=O)OC 271570a_100000694244_100011935214 [0,1,0,0,0,0|3,0,0]=4 150 B13R1.547 C=C(C)c1ccncc1C(=O)OC 271570a_100000694244_100020629055 [0,1,0,0,0,0|3,0,0]=4 151 B13R1.547 C=C(C)c1cnccc1C(=O)OC 271570a_100000694244_100010008606 [0,1,0,0,0,0|3,0,0]=4 152 B13R1.547 C=C(C)c1ncccc1C(=O)OC 271570a_100000694244_100000150852 [0,1,0,0,0,0|3,0,0]=4 153 B13R1.547 CCC(=O)c1ccccc1I(=O)=O 1458a_100000061294_100000210202 [0,1,0,0,0,0|2,0,1]=4 154 B13R1.547 CCC(=O)c1ccccc1S(=O)C 1458a_100000204632_100000210202 [0,1,0,0,0,0|3,0,0]=4 155 B13R1.547 CCC(=O)c1ccccc1[N+](=O)[O-] 1458a_100000188706_100000210202 [0,1,0,0,0,0|2,0,1]=4 156 B13R1.547 CNC(=O)c1ccccc1I(=O)=O 1626a_100102657272_100000061294 [0,1,0,0,0,0|2,0,1]=4 157 B13R1.547 CNC(=O)c1ccccc1I(=O)=O 240690a_100102657272_100000061294 [0,1,0,0,0,0|2,0,1]=4 158 B13R1.547 CNC(=O)c1ccccc1S(=O)C 1626a_100102657272_100000204632 [0,1,0,0,0,0|3,0,0]=4 159 B13R1.547 CNC(=O)c1ccccc1S(=O)C 240690a_100102657272_100000204632 [0,1,0,0,0,0|3,0,0]=4 160 B13R1.547 CNC(=O)c1ccccc1[N+](=O)[O-] 11a_106832991635_100000188706 [0,1,0,0,0,0|2,0,1]=4 161 B13R1.547 CNC(=O)c1ccccc1[N+](=O)[O-] 1626a_100102657272_100000188706 [0,1,0,0,0,0|2,0,1]=4 162 B13R1.547 CNC(=O)c1ccccc1[N+](=O)[O-] 240690a_100102657272_100000188706 [0,1,0,0,0,0|2,0,1]=4 163 B13R1.547 CNC(=O)c1ccccc1[N+](=O)[O-] 527a_100102657272_100000188706 [0,1,0,0,0,0|2,0,1]=4 164 B13R1.547 COC(=O)c1ccccc1C(=O)C 1458a_100011215673_200000210301 [0,1,0,0,0,0|1,0,0]=2 165 B13R1.547 COC(=O)c1ccccc1C(=O)[13CH3] 1458a_100011215673_200025704644 [0,1,0,0,0,0|1,0,0]=2 166 B13R1.547 COC(=O)c1ccccc1N(C)C 269982a_100000170468_200000210301 [0,1,0,0,0,0|3,0,0]=4 167 B13R1.547 COC(=O)c1ccccc1N(C)C 34a_100000170468_200000210301 [0,1,0,0,0,0|3,0,0]=4 168 B13R1.547 COC(=O)c1ccccc1N(C)[13CH3] 269982a_100000170468_200025704644 [0,1,0,0,0,0|3,0,0]=4 169 B13R1.547 COC(=O)c1ccccc1N(C)[13CH3] 34a_100000170468_200025704644 [0,1,0,0,0,0|3,0,0]=4 170 B13R1.547 CS(=O)c1ccccc1C(=O)CF 1458a_100000204632_100015361967 [0,1,0,0,0,0|3,0,0]=4 171 B13R1.547 O=C(CF)c1ccccc1I(=O)=O 1458a_100000061294_100015361967 [0,1,0,0,0,0|2,0,1]=4 172 B13R1.547 O=C(CF)c1ccccc1[N+](=O)[O-] 1458a_100000188706_100015361967 [0,1,0,0,0,0|2,0,1]=4 173 B13R2.371 Cc1ccc(c2c1cccc2)O 271570a_203496583355_100011215156 [0,0,0,1,0,0|3,0,0]=4 174 B13R2.371 Cc1cnc(c2c1cccc2)O 271570a_203496583355_100000112005 [0,0,0,1,0,0|3,0,0]=4 175 B13R2.371 Cc1ncc(c2c1cccc2)O 271570a_203496583355_100010239772 [0,0,0,1,0,0|3,0,0]=4 176 B13R2.371 Cc1nnc(c2c1cccc2)O 271570a_203496583355_100000189618 [0,0,0,1,0,0|3,0,0]=4 177 B13R2.371 Nc1ccc(c2c1cccc2)O 271570a_203496583355_100000766797 [0,0,0,1,0,0|3,0,0]=4 178 B13R2.371 Nc1cnc(c2c1cccc2)O 271570a_203496583355_200009868590 [0,0,0,1,0,0|3,0,0]=4 179 B13R2.371 Nc1ncc(c2c1cccc2)O 271570a_203496583355_100010158575 [0,0,0,1,0,0|3,0,0]=4 180 B13R2.371 O=c1[nH]cc(c2c1cncc2)O 271570a_203496583355_100010090797 [0,0,0,1,0,0|3,0,0]=4 181 B13R2.371 O=c1[nH]nc(c2c1cccc2)O 271570a_203496583355_100010235092 [0,0,0,1,0,0|2,0,0]=3 182 B13R2.371 O=c1[nH]nc(c2c1cccn2)O 271570a_203496583355_200021304518 [0,0,0,1,0,0|3,0,0]=4 183 B13R2.371 O=c1[nH]nc(c2c1nccc2)O 271570a_203496583355_100021647086 [0,0,0,1,0,0|3,0,0]=4 184 B13R2.371 Oc1ccc(c2c1cccc2)Br 271570a_203496583355_100012339872 [0,0,0,1,0,0|3,0,0]=4 185 B13R2.371 Oc1ccc(c2c1cccc2)F 271570a_203496583355_100011218216 [0,0,0,1,0,0|3,0,0]=4 186 B13R2.371 Oc1ccc(c2c1cccc2)O 271570a_203496583355_100000186334 [0,0,0,1,0,0|2,0,0]=3 187 B13R2.371 Oc1ccc(c2c1cccn2)O 271570a_203496583355_100011934063 [0,0,0,1,0,0|3,0,0]=4 188 B13R2.371 Oc1cnc(c2c1cccc2)O 271570a_203496583355_100000067196 [0,0,0,1,0,0|2,0,0]=3 189 B13R2.371 Oc1cnc(c2c1cccc2)O 271570a_203496583355_100009816523 [0,0,0,1,0,0|2,0,0]=3 190 B13R1.589 C=C(C)c1ccccc1CC(=O)C 271570a_100000694244_100011350739 [0,0,0,0,0,1|3,0,0]=4 191 B13R1.589 C=C(C)c1ccccc1CC(=O)N 271570a_100000694244_200009814924 [0,0,0,0,0,1|3,0,0]=4 192 B13R1.589 C=C(C)c1ccccc1NC(=O)C 11a_100000037685_100015343762 [0,0,0,0,0,1|3,0,0]=4 193 B13R1.589 C=C(C)c1ccccc1NC(=O)C 1626a_100000037685_100015343762 [0,0,0,0,0,1|3,0,0]=4 194 B13R1.589 C=C(C)c1ccccc1NC(=O)C 22a_100000037685_100000070787 [0,0,0,0,0,1|3,0,0]=4 195 B13R1.589 C=C(C)c1ccccc1NC(=O)C 271570a_100000694244_100000153524 [0,0,0,0,0,1|3,0,0]=4 196 B13R1.589 C=C(C)c1ccccc1NC(=O)N 271570a_100000694244_100000742221 [0,0,0,0,0,1|3,0,0]=4 197 B13R1.589 C=C(C)c1ccccc1OC(=O)C 271570a_100000694244_100000051690 [0,0,0,0,0,1|3,0,0]=4 198 B13R1.589 CC(=Cc1ccccc1C(=O)N)C 271570a_100102525489_100000162227 [0,0,0,0,0,1|3,0,0]=4 199 B13R1.589 CC(=O)Cc1ccccc1B(O)O 1458a_100000070787_100009814197 [0,0,0,0,0,1|2,0,1]=4 200 B13R1.589 CC(=O)Cc1ccccc1[N+](=O)[O-] 1458a_100000070787_100000181388 [0,0,0,0,0,1|2,0,1]=4 201 B13R1.589 CC(=O)Cc1ccccc1[N+](=O)[O-] 1458a_100000188737_200000210301 [0,0,0,0,0,1|2,0,1]=4 202 B13R1.589 CC(=O)Nc1ccccc1C(=O)N 11a_100000185089_100015343762 [0,0,0,0,0,1|2,0,0]=3 203 B13R1.589 CC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100015343762 [0,0,0,0,0,1|2,0,0]=3 204 B13R1.589 CC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100000070787 [0,0,0,0,0,1|2,0,0]=3 205 B13R1.589 CC(=O)Nc1ccccc1C(=S)N 1626a_100000206033_100015343762 [0,0,0,0,0,1|2,1,0]=4 206 B13R1.589 CC(=O)c1ccccc1C=C(C)C 271570a_100102525489_100000751169 [0,0,0,0,0,1|3,0,0]=4 207 B13R1.589 CC(C)Sc1ccccc1C(=O)O 62a_100000210206_100000734275 [0,0,0,0,0,1|2,0,1]=4 208 B13R1.589 CC(C)Sc1ccccc1C(=O)O 62a_202125556159_100000210206 [0,0,0,0,0,1|2,0,1]=4 209 B13R1.589 [13CH3]C(=O)Cc1ccccc1[N+](=O)[O-] 1458a_100000188737_200025704644 [0,0,0,0,0,1|2,0,1]=4 210 B10R1.20 C=Cc1ccccc1C=O 271570a_100011290941_100000211189 [2,0,0,0,0,0|1,0,0]=3 211 B10R1.20 C=Cc1ccccc1CO 271570a_100011290941_100000187465 [2,0,0,0,0,0|1,0,1]=4 212 B10R1.20 C=Cc1cccnc1C=O 271570a_100011290941_100011934733 [2,0,0,0,0,0|2,0,0]=4 213 B10R1.20 C=Cc1ccncc1C=O 271570a_100011290941_100000050567 [2,0,0,0,0,0|2,0,0]=4 214 B10R1.20 C=Cc1cnccc1C=O 271570a_100011290941_100011934409 [2,0,0,0,0,0|2,0,0]=4 215 B10R1.20 C=Cc1ncccc1C=O 271570a_100011290941_100009816751 [2,0,0,0,0,0|2,0,0]=4 216 B10R1.20 CSc1ccccc1C=O 62a_100000210073_200000210301 [2,0,0,0,0,0|2,0,0]=4 217 B10R1.20 CSc1ccccc1C=O 62a_200000210301_100000210073 [2,0,0,0,0,0|2,0,0]=4 218 B10R1.20 [13CH3]Sc1ccccc1C=O 62a_100000210073_200025704644 [2,0,0,0,0,0|2,0,0]=4 219 B10R1.20 [13CH3]Sc1ccccc1C=O 62a_200025704644_100000210073 [2,0,0,0,0,0|2,0,0]=4 220 B10R1.61 C=C(C)c1ccccc1O 271570a_100000694244_100000739446 [2,0,0,0,0,0|2,0,0]=4 221 B10R1.61 CC(=O)c1ccccc1Br 1458a_100000188424_200000210301 [2,0,0,0,0,0|2,0,0]=4 222 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [2,0,0,0,0,0|1,0,1]=4 223 B10R1.61 CC(=O)c1ccccc1Cl 1458a_100000185844_200000210301 [2,0,0,0,0,0|2,0,0]=4 224 B10R1.61 CC(=O)c1ccccc1F 1458a_100000188656_200000210301 [2,0,0,0,0,0|2,0,0]=4 225 B10R1.61 CC(=O)c1ccccc1I 1458a_100000187884_200000210301 [2,0,0,0,0,0|2,0,0]=4 226 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [2,0,0,0,0,0|1,0,0]=3 227 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [2,0,0,0,0,0|1,0,0]=3 228 B10R1.61 CC(=O)c1ccccc1[O-] 1458a_100009911694_200000210301 [2,0,0,0,0,0|1,0,1]=4 229 B10R1.61 CC(=O)c1cccnc1O 271570a_203496583355_100000753718 [2,0,0,0,0,0|2,0,0]=4 230 B10R1.61 CC(=O)c1ccncc1O 271570a_203496583355_100009993184 [2,0,0,0,0,0|2,0,0]=4 231 B10R1.61 CC(=O)c1cnccc1O 271570a_203496583355_100160469449 [2,0,0,0,0,0|2,0,0]=4 232 B10R1.61 CC(=O)c1ncccc1O 271570a_203496583355_100012348690 [2,0,0,0,0,0|2,0,0]=4 233 B10R1.61 CC(O)c1ccccc1O 271570a_203496583355_100000702211 [2,0,0,0,0,0|1,0,1]=4 234 B10R1.61 CS(=O)c1ccccc1O 271570a_203496583355_100000734199 [2,0,0,0,0,0|2,0,0]=4 235 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [2,0,0,0,0,0|1,0,1]=4 236 B10R1.61 NC(=O)c1ccccc1O 271570a_203496583355_100000162227 [2,0,0,0,0,0|1,0,0]=3 237 B10R1.61 NC(=O)c1cccnc1O 271570a_203496583355_100000162199 [2,0,0,0,0,0|2,0,0]=4 238 B10R1.61 NC(=O)c1ccncc1O 271570a_203496583355_100010205435 [2,0,0,0,0,0|2,0,0]=4 239 B10R1.61 NC(=O)c1cnccc1O 271570a_203496583355_100000697804 [2,0,0,0,0,0|2,0,0]=4 240 B10R1.61 NC(=O)c1ncccc1O 271570a_203496583355_200012359670 [2,0,0,0,0,0|2,0,0]=4 241 B10R1.61 OB(O)c1ccccc1O 271570a_203496583355_100000693059 [2,0,0,0,0,0|1,0,1]=4 242 B10R1.61 [13CH3]C(=O)c1ccccc1Br 1458a_100000188424_200025704644 [2,0,0,0,0,0|2,0,0]=4 243 B10R1.61 [13CH3]C(=O)c1ccccc1Cl 1458a_100000185844_200025704644 [2,0,0,0,0,0|2,0,0]=4 244 B10R1.61 [13CH3]C(=O)c1ccccc1F 1458a_100000188656_200025704644 [2,0,0,0,0,0|2,0,0]=4 245 B10R1.61 [13CH3]C(=O)c1ccccc1I 1458a_100000187884_200025704644 [2,0,0,0,0,0|2,0,0]=4 246 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [2,0,0,0,0,0|1,0,0]=3 247 B10R1.61 [13CH3]C(=O)c1ccccc1[O-] 1458a_100009911694_200025704644 [2,0,0,0,0,0|1,0,1]=4 248 B12R1.46 C=C(C)c1cc(ccc1C=O)Br 271570a_100000694244_100010146562 [1,1,0,0,0,0|2,0,0]=4 249 B12R1.46 C=C(C)c1cc(ccc1C=O)C 271570a_100000694244_100000692596 [1,1,0,0,0,0|2,0,0]=4 250 B12R1.46 C=C(C)c1cc(ccc1C=O)F 271570a_100000694244_100000752949 [1,1,0,0,0,0|2,0,0]=4 251 B12R1.46 C=C(C)c1cc(ccc1C=O)O 271570a_100000694244_100011236494 [1,1,0,0,0,0|2,0,0]=4 252 B12R1.46 C=Cc1ccc(cc1C(=O)C)Br 271570a_100011290941_100012349576 [1,1,0,0,0,0|2,0,0]=4 253 B12R1.46 C=Cc1ccc(cc1C(=O)C)C 271570a_100011290941_100012361225 [1,1,0,0,0,0|2,0,0]=4 254 B12R1.46 C=Cc1ccc(cc1C(=O)C)F 271570a_100011290941_100012353695 [1,1,0,0,0,0|2,0,0]=4 255 B12R1.46 C=Cc1ccc(cc1C(=O)C)N 271570a_100011290941_100012349454 [1,1,0,0,0,0|2,0,0]=4 256 B12R1.46 C=Cc1ccc(cc1C(=O)N)Br 271570a_100011290941_200000162314 [1,1,0,0,0,0|2,0,0]=4 257 B12R1.46 C=Cc1ccc(cc1C(=O)N)C 271570a_100011290941_200012349609 [1,1,0,0,0,0|2,0,0]=4 258 B12R1.46 C=Cc1ccc(cc1C(=O)N)F 271570a_100011290941_100000206434 [1,1,0,0,0,0|2,0,0]=4 259 B12R1.46 C=Cc1ccc(cc1C(=O)N)N 271570a_100011290941_100015186447 [1,1,0,0,0,0|2,0,0]=4 260 B12R1.46 CSc1ccc(cc1C(=O)O)Br 62a_100011072988_200000210301 [1,1,0,0,0,0|2,0,0]=4 261 B12R1.46 [13CH3]Sc1ccc(cc1C(=O)O)Br 62a_100011072988_200025704644 [1,1,0,0,0,0|2,0,0]=4 262 B12R1.57 C=C(C)c1ccc(cc1C=O)Br 271570a_100000694244_100010185651 [1,1,0,0,0,0|2,0,0]=4 263 B12R1.57 C=C(C)c1ccc(cc1C=O)C 271570a_100000694244_100011551863 [1,1,0,0,0,0|2,0,0]=4 264 B12R1.57 C=C(C)c1ccc(cc1C=O)Cl 271570a_100000694244_100010254386 [1,1,0,0,0,0|2,0,0]=4 265 B12R1.57 C=C(C)c1ccc(cc1C=O)F 271570a_100000694244_100011218309 [1,1,0,0,0,0|2,0,0]=4 266 B12R1.57 C=C(C)c1ccc(cc1C=O)O 271570a_100000694244_100000690577 [1,1,0,0,0,0|2,0,0]=4 267 B12R1.57 C=Cc1cc(ccc1C(=O)C)C 271570a_100011290941_100012353930 [1,1,0,0,0,0|2,0,0]=4 268 B12R1.57 C=Cc1cc(ccc1C(=O)C)F 271570a_100011290941_100000686192 [1,1,0,0,0,0|2,0,0]=4 269 B12R1.57 C=Cc1cc(ccc1C(=O)C)O 271570a_100011290941_100012340537 [1,1,0,0,0,0|2,0,0]=4 270 B12R1.57 C=Cc1cc(ccc1C(=O)N)Br 271570a_100011290941_100009815748 [1,1,0,0,0,0|2,0,0]=4 271 B12R1.57 C=Cc1cc(ccc1C(=O)N)F 271570a_100011290941_100000206404 [1,1,0,0,0,0|2,0,0]=4 272 B12R1.57 CC(=O)c1ccc(cc1CO)Br 1458a_100010253900_200000210301 [1,1,0,0,0,0|1,0,1]=4 273 B12R1.57 CC(=O)c1ccc(cc1CO)F 1458a_100013035055_200000210301 [1,1,0,0,0,0|1,0,1]=4 274 B12R1.57 [13CH3]C(=O)c1ccc(cc1CO)Br 1458a_100010253900_200025704644 [1,1,0,0,0,0|1,0,1]=4 275 B12R1.57 [13CH3]C(=O)c1ccc(cc1CO)F 1458a_100013035055_200025704644 [1,1,0,0,0,0|1,0,1]=4 276 B12R1.77 C=Cc1ccccc1C(=O)CC 1458a_100011830265_100000210202 [1,1,0,0,0,0|2,0,0]=4 277 B12R1.77 C=Cc1ccccc1C(=O)CF 1458a_100011830265_100015361967 [1,1,0,0,0,0|2,0,0]=4 278 B12R1.77 C=Cc1ccccc1C(=O)NC 1626a_100102657272_100011830265 [1,1,0,0,0,0|2,0,0]=4 279 B12R1.77 C=Cc1ccccc1C(=O)NC 271570a_100011290941_100000155073 [1,1,0,0,0,0|2,0,0]=4 280 B12R1.77 C=Cc1ccccc1C(=O)NN 271570a_100011290941_100000190081 [1,1,0,0,0,0|2,0,0]=4 281 B12R1.77 C=Cc1ccccc1C(=O)OC 271570a_100011290941_100000148710 [1,1,0,0,0,0|1,0,0]=3 282 B12R1.77 C=Cc1cccnc1C(=O)OC 271570a_100011290941_100011935214 [1,1,0,0,0,0|2,0,0]=4 283 B12R1.77 C=Cc1ccncc1C(=O)OC 271570a_100011290941_100020629055 [1,1,0,0,0,0|2,0,0]=4 284 B12R1.77 C=Cc1cnccc1C(=O)OC 271570a_100011290941_100010008606 [1,1,0,0,0,0|2,0,0]=4 285 B12R1.77 C=Cc1ncccc1C(=O)OC 271570a_100011290941_100000150852 [1,1,0,0,0,0|2,0,0]=4 286 B12R1.77 CCC(=O)c1ccccc1CO 1458a_100011301526_100000210202 [1,1,0,0,0,0|1,0,1]=4 287 B12R1.77 CCC(=O)c1ccccc1I=O 1458a_100000032414_100000210202 [1,1,0,0,0,0|2,0,0]=4 288 B12R1.77 CNC(=O)c1ccccc1I=O 1626a_100102657272_100000032414 [1,1,0,0,0,0|2,0,0]=4 289 B12R1.77 CNC(=O)c1ccccc1I=O 240690a_100102657272_100000032414 [1,1,0,0,0,0|2,0,0]=4 290 B12R1.77 CNC(=O)c1ccccc1I=O 527a_100102657272_100000032414 [1,1,0,0,0,0|2,0,0]=4 291 B12R1.77 COC(=O)c1ccccc1OC 7a_100000150335_200000210301 [1,1,0,0,0,0|2,0,0]=4 292 B12R1.77 COC(=O)c1ccccc1O[13CH3] 7a_100000150335_200025704644 [1,1,0,0,0,0|2,0,0]=4 293 B12R1.77 COC(=O)c1ccccc1SC 62a_100000148710_200000210301 [1,1,0,0,0,0|2,0,0]=4 294 B12R1.77 COC(=O)c1ccccc1SC 62a_200000210301_100000148710 [1,1,0,0,0,0|2,0,0]=4 295 B12R1.77 COC(=O)c1ccccc1S[13CH3] 62a_100000148710_200025704644 [1,1,0,0,0,0|2,0,0]=4 296 B12R1.77 COC(=O)c1ccccc1S[13CH3] 62a_200025704644_100000148710 [1,1,0,0,0,0|2,0,0]=4 297 B12R1.77 COc1ccccc1C(=O)NO 34a_100000188472_200000210301 [1,1,0,0,0,0|2,0,0]=4 298 B12R1.77 CSc1ccccc1C(=O)O[Na] 62a_200000210301_114855342371 [1,1,0,0,0,0|2,0,0]=4 299 B12R1.77 O=C(CF)c1ccccc1CO 1458a_100011301526_100015361967 [1,1,0,0,0,0|1,0,1]=4 300 B12R1.77 O=Ic1ccccc1C(=O)CF 1458a_100000032414_100015361967 [1,1,0,0,0,0|2,0,0]=4 301 B12R1.77 [13CH3]Oc1ccccc1C(=O)NO 34a_100000188472_200025704644 [1,1,0,0,0,0|2,0,0]=4 302 B12R1.77 [13CH3]Sc1ccccc1C(=O)O[Na] 62a_200025704644_114855342371 [1,1,0,0,0,0|2,0,0]=4 303 B12R1.87 C=C(C)c1cccc(c1C=O)C 271570a_100000694244_100000041122 [1,1,0,0,0,0|2,0,0]=4 304 B12R1.87 C=C(C)c1cccc(c1C=O)Cl 271570a_100000694244_100010147682 [1,1,0,0,0,0|2,0,0]=4 305 B12R1.87 C=C(C)c1cccc(c1C=O)F 271570a_100000694244_100000210083 [1,1,0,0,0,0|2,0,0]=4 306 B12R1.87 C=C(C)c1cccc(c1C=O)N 271570a_100000694244_100010232536 [1,1,0,0,0,0|2,0,0]=4 307 B12R1.87 C=C(C)c1cccc(c1C=O)O 271570a_100000694244_100009814793 [1,1,0,0,0,0|2,0,0]=4 308 B12R1.87 C=Cc1c(cccc1C(=O)C)F 271570a_100011290941_100012362612 [1,1,0,0,0,0|2,0,0]=4 309 B12R1.87 C=Cc1c(cccc1C(=O)N)C 271570a_100011290941_200011409216 [1,1,0,0,0,0|2,0,0]=4 310 B12R1.87 C=Cc1c(cccc1C(=O)N)F 271570a_100011290941_200012351544 [1,1,0,0,0,0|2,0,0]=4 311 B12R1.87 O=Cc1c(cccc1B(O)O)O 271570a_203496583355_100009861587 [1,1,0,0,0,0|1,0,1]=4 312 B12R1.283 C=C=Cc1ccccc1C(=O)C 271570a_100015277604_100000751169 [1,1,0,0,0,0|2,0,0]=4 313 B12R1.283 C=C=Cc1ccccc1C(=O)N 271570a_100015277604_100000162227 [1,1,0,0,0,0|2,0,0]=4 314 B12R1.283 CC=Cc1ccccc1C(=O)C 271570a_100016259895_100000751169 [1,1,0,0,0,0|2,0,0]=4 315 B12R1.283 CC=Cc1ccccc1C(=O)N 271570a_100016259895_100000162227 [1,1,0,0,0,0|2,0,0]=4 316 B12R1.283 CCSc1ccccc1C(=O)O 62a_100000210202_100000734275 [1,1,0,0,0,0|1,0,1]=4 317 B12R1.283 CCSc1ccccc1C(=O)O 62a_202125556159_100000210202 [1,1,0,0,0,0|1,0,1]=4 318 B12R1.283 CNCc1ccccc1C(=O)O 269956a_100015183376_200000210301 [1,1,0,0,0,0|1,0,1]=4 319 B12R1.283 COCc1ccccc1C(=O)C 1458a_100000737999_200000210301 [1,1,0,0,0,0|1,0,1]=4 320 B12R1.283 COCc1ccccc1C(=O)[13CH3] 1458a_100000737999_200025704644 [1,1,0,0,0,0|1,0,1]=4 321 B12R1.283 O=C(O)c1ccccc1SCF 62a_100015361967_100000734275 [1,1,0,0,0,0|1,0,1]=4 322 B12R1.283 O=C(O)c1ccccc1SCF 62a_202125556159_100015361967 [1,1,0,0,0,0|1,0,1]=4 323 B12R1.283 [13CH3]NCc1ccccc1C(=O)O 269956a_100015183376_200025704644 [1,1,0,0,0,0|1,0,1]=4 324 B12R1.437 C=C(C)c1c(cccc1C=O)F 271570a_100000694244_100011998484 [1,1,0,0,0,0|2,0,0]=4 325 B12R1.437 C=C(C)c1c(cccc1C=O)O 271570a_100000694244_100009816417 [1,1,0,0,0,0|2,0,0]=4 326 B12R1.437 C=Cc1cccc(c1C(=O)C)F 271570a_100011290941_100012351873 [1,1,0,0,0,0|2,0,0]=4 327 B12R1.437 C=Cc1cccc(c1C(=O)C)O 271570a_100011290941_100010174959 [1,1,0,0,0,0|2,0,0]=4 328 B12R1.437 C=Cc1cccc(c1C(=O)N)Cl 271570a_100011290941_100010147686 [1,1,0,0,0,0|2,0,0]=4 329 B12R1.437 C=Cc1cccc(c1C(=O)N)F 271570a_100011290941_100011219063 [1,1,0,0,0,0|2,0,0]=4 330 B14R1.164 CC(=O)Nc1cc(ccc1C(=O)C)Br 1458a_100000747254_200000210301 [0,1,0,0,0,1|2,0,0]=4 331 B14R1.164 CC(=O)Nc1cc(ccc1C(=O)C)Cl 1458a_100000195377_200000210301 [0,1,0,0,0,1|2,0,0]=4 332 B14R1.164 CC(=O)Nc1cc(ccc1C(=O)C)F 1458a_100000222213_200000210301 [0,1,0,0,0,1|2,0,0]=4 333 B14R1.164 CC(=O)Nc1cc(ccc1C(=O)N)Br 1626a_100012349972_100015343762 [0,1,0,0,0,1|2,0,0]=4 334 B14R1.164 CC(=O)Nc1cc(ccc1C(=O)N)C 11a_100011219537_100015343762 [0,1,0,0,0,1|2,0,0]=4 335 B14R1.164 CC(=O)Nc1cc(ccc1C(=O)N)C 1626a_100011219537_100015343762 [0,1,0,0,0,1|2,0,0]=4 336 B14R1.164 CC(=O)Nc1cc(ccc1C(=O)N)C 22a_100011219537_100000070787 [0,1,0,0,0,1|2,0,0]=4 337 B14R1.164 CC(=O)Nc1cc(ccc1C(=O)N)Cl 11a_100000738103_100015343762 [0,1,0,0,0,1|2,0,0]=4 338 B14R1.164 CC(=O)Nc1cc(ccc1C(=O)N)Cl 1626a_100000738103_100015343762 [0,1,0,0,0,1|2,0,0]=4 339 B14R1.164 CC(=O)Nc1cc(ccc1C(=O)N)F 11a_100011298637_100015343762 [0,1,0,0,0,1|2,0,0]=4 340 B14R1.164 CC(=O)Nc1cc(ccc1C(=O)N)F 1626a_100011298637_100015343762 [0,1,0,0,0,1|2,0,0]=4 341 B14R1.164 CC(=O)Nc1cc(ccc1C(=O)N)F 22a_100011298637_100000070787 [0,1,0,0,0,1|2,0,0]=4 342 B14R1.164 CC(=O)Nc1cc(ccc1C(=O)N)O 22a_100012186684_100000070787 [0,1,0,0,0,1|2,0,0]=4 343 B14R1.164 CC(=O)Nc1cc(ccc1C(=O)[13CH3])Br 1458a_100000747254_200025704644 [0,1,0,0,0,1|2,0,0]=4 344 B14R1.164 CC(=O)Nc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000195377_200025704644 [0,1,0,0,0,1|2,0,0]=4 345 B14R1.164 CC(=O)Nc1cc(ccc1C(=O)[13CH3])F 1458a_100000222213_200025704644 [0,1,0,0,0,1|2,0,0]=4 346 B14R1.429 CC(=O)N(C)c1ccccc1C(=O)N 11a_100000184419_100015343762 [0,1,0,0,0,1|2,0,0]=4 347 B14R1.429 CC(=O)N(C)c1ccccc1C(=O)N 1626a_100000184419_100015343762 [0,1,0,0,0,1|2,0,0]=4 348 B14R1.429 CC(=O)N(C)c1ccccc1C(=O)[13CH3] 1458a_100000242783_200025704644 [0,1,0,0,0,1|2,0,0]=4 349 B14R1.429 CC(=O)c1ccccc1N(C)C(=O)C 1458a_100000242783_200000210301 [0,1,0,0,0,1|2,0,0]=4 350 B14R1.744 CNC(=O)c1ccccc1NC(=O)C 11a_100000185696_100015343762 [0,1,0,0,0,1|2,0,0]=4 351 B14R1.744 CNC(=O)c1ccccc1NC(=O)C 1626a_100000185696_100015343762 [0,1,0,0,0,1|2,0,0]=4 352 B14R1.744 CNC(=O)c1ccccc1NC(=O)C 22a_100000185696_100000070787 [0,1,0,0,0,1|2,0,0]=4 353 B14R1.744 CNC(=O)c1ccccc1OC(=O)C 240690a_100102657272_100000210466 [0,1,0,0,0,1|2,0,0]=4 354 B14R1.744 COC(=O)c1ccccc1C=C(C)C 271570a_100102525489_100000148710 [0,1,0,0,0,1|2,0,0]=4 355 B14R1.744 COC(=O)c1ccccc1CC(=O)C 1458a_100000070787_100000744672 [0,1,0,0,0,1|1,0,0]=3 356 B14R1.744 COC(=O)c1ccccc1CC(=O)C 1458a_100000695166_200000210301 [0,1,0,0,0,1|1,0,0]=3 357 B14R1.744 COC(=O)c1ccccc1CC(=O)[13CH3] 1458a_100000695166_200025704644 [0,1,0,0,0,1|1,0,0]=3 358 B14R1.744 COC(=O)c1cccnc1CC(=O)C 1458a_100000070787_100000709840 [0,1,0,0,0,1|2,0,0]=4 359 B14R1.744 COC(=O)c1ncccc1CC(=O)C 1458a_100000070787_100010177730 [0,1,0,0,0,1|2,0,0]=4 360 B14R1.3302 C=C(C)c1ccccc1CC(=O)OC 271570a_100000694244_100000699816 [0,1,0,0,0,1|2,0,0]=4 361 B14R1.3302 C=C(C)c1ccccc1NC(=O)CO 22a_100000037685_100000210174 [0,1,0,0,0,1|2,0,0]=4 362 B14R1.3302 C=C(C)c1ccccc1NC(=O)OC 271570a_100000694244_100000216184 [0,1,0,0,0,1|2,0,0]=4 363 B14R1.3302 C=CC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100000185746 [0,1,0,0,0,1|2,0,0]=4 364 B14R1.3302 C=CC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100000185746 [0,1,0,0,0,1|2,0,0]=4 365 B14R1.3302 CC(CO)Sc1ccccc1C(=O)O 62a_100012180447_100000734275 [0,1,0,0,0,1|1,0,1]=4 366 B14R1.3302 CCC(=O)Nc1ccccc1C(=O)C 1458a_100000194446_200000210301 [0,1,0,0,0,1|2,0,0]=4 367 B14R1.3302 CCC(=O)Nc1ccccc1C(=O)N 11a_100000185089_100000210414 [0,1,0,0,0,1|2,0,0]=4 368 B14R1.3302 CCC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100000210414 [0,1,0,0,0,1|2,0,0]=4 369 B14R1.3302 CCC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100000210414 [0,1,0,0,0,1|2,0,0]=4 370 B14R1.3302 CCC(=O)Nc1ccccc1C(=O)[13CH3] 1458a_100000194446_200025704644 [0,1,0,0,0,1|2,0,0]=4 371 B14R1.3302 COC(=O)Cc1ccccc1C(=O)C 1458a_100000726341_200000210301 [0,1,0,0,0,1|1,0,0]=3 372 B14R1.3302 COC(=O)Cc1ccccc1C(=O)[13CH3] 1458a_100000726341_200025704644 [0,1,0,0,0,1|1,0,0]=3 373 B14R1.3302 COC(C)Sc1ccccc1C(=O)O 62a_100009879195_100000734275 [0,1,0,0,0,1|1,0,1]=4 374 B14R1.3302 COC(C)Sc1ccccc1C(=O)O 62a_202125556159_100009879195 [0,1,0,0,0,1|1,0,1]=4 375 B14R1.3302 C[C@H](CO)Sc1ccccc1C(=O)O 62a_100016084084_100000734275 [0,1,0,0,0,1|1,0,1]=4 376 B14R1.3302 C[C@H](CO)Sc1ccccc1C(=O)O 62a_202125556159_100016084084 [0,1,0,0,0,1|1,0,1]=4 377 B14R1.3302 NC(=O)c1ccccc1NC(=O)CO 22a_100000185089_100000210174 [0,1,0,0,0,1|1,0,0]=3 378 B14R1.3302 O=C(CO)Cc1ccccc1B(O)O 1458a_100000210174_100009814197 [0,1,0,0,0,1|1,0,1]=4 379 B14R1.3302 O=C(CO)Cc1ccccc1[N+](=O)[O-] 1458a_100000210174_100000181388 [0,1,0,0,0,1|1,0,1]=4 380 B14R1.4894 CC(=O)Nc1c(cccc1C(=O)N)Br 1626a_100010144993_100015343762 [0,1,0,0,0,1|2,0,0]=4 381 B14R1.4894 CC(=O)Nc1c(cccc1C(=O)N)C 1626a_100000223273_100015343762 [0,1,0,0,0,1|2,0,0]=4 382 B14R1.4894 CC(=O)Nc1c(cccc1C(=O)N)Cl 1626a_200011997947_100015343762 [0,1,0,0,0,1|2,0,0]=4 383 B14R1.4894 CC(=O)Nc1c(cccc1C(=O)N)F 1626a_100011722151_100015343762 [0,1,0,0,0,1|2,0,0]=4 384 B14R1.4926 CC(=O)Nc1cccc(c1C(=O)C)Cl 1458a_200011219801_200000210301 [0,1,0,0,0,1|2,0,0]=4 385 B14R1.4926 CC(=O)Nc1cccc(c1C(=O)C)F 1458a_100000756107_200000210301 [0,1,0,0,0,1|2,0,0]=4 386 B14R1.4926 CC(=O)Nc1cccc(c1C(=O)N)C 11a_100102558177_100015343762 [0,1,0,0,0,1|2,0,0]=4 387 B14R1.4926 CC(=O)Nc1cccc(c1C(=O)N)C 1626a_100102558177_100015343762 [0,1,0,0,0,1|2,0,0]=4 388 B14R1.4926 CC(=O)Nc1cccc(c1C(=O)N)C 22a_100102558177_100000070787 [0,1,0,0,0,1|2,0,0]=4 389 B14R1.4926 CC(=O)Nc1cccc(c1C(=O)N)Cl 11a_100000764435_100015343762 [0,1,0,0,0,1|2,0,0]=4 390 B14R1.4926 CC(=O)Nc1cccc(c1C(=O)N)Cl 1626a_100000764435_100015343762 [0,1,0,0,0,1|2,0,0]=4 391 B14R1.4926 CC(=O)Nc1cccc(c1C(=O)N)F 11a_100000036109_100015343762 [0,1,0,0,0,1|2,0,0]=4 392 B14R1.4926 CC(=O)Nc1cccc(c1C(=O)N)F 1626a_100000036109_100015343762 [0,1,0,0,0,1|2,0,0]=4 393 B14R1.4926 CC(=O)Nc1cccc(c1C(=O)N)F 22a_100000036109_100000070787 [0,1,0,0,0,1|2,0,0]=4 394 B14R1.4926 CC(=O)Nc1cccc(c1C(=O)[13CH3])Cl 1458a_200011219801_200025704644 [0,1,0,0,0,1|2,0,0]=4 395 B14R1.4926 CC(=O)Nc1cccc(c1C(=O)[13CH3])F 1458a_100000756107_200025704644 [0,1,0,0,0,1|2,0,0]=4 396 B14R1.6074 CC(=O)Nc1ccc(cc1C(=O)C)Br 1458a_100000195241_200000210301 [0,1,0,0,0,1|2,0,0]=4 397 B14R1.6074 CC(=O)Nc1ccc(cc1C(=O)C)F 1458a_100011219192_200000210301 [0,1,0,0,0,1|2,0,0]=4 398 B14R1.6074 CC(=O)Nc1ccc(cc1C(=O)N)Br 11a_100000740421_100015343762 [0,1,0,0,0,1|2,0,0]=4 399 B14R1.6074 CC(=O)Nc1ccc(cc1C(=O)N)Br 1626a_100000740421_100015343762 [0,1,0,0,0,1|2,0,0]=4 400 B14R1.6074 CC(=O)Nc1ccc(cc1C(=O)N)Br 22a_100000740421_100000070787 [0,1,0,0,0,1|2,0,0]=4 401 B14R1.6074 CC(=O)Nc1ccc(cc1C(=O)N)C 11a_100011692829_100015343762 [0,1,0,0,0,1|2,0,0]=4 402 B14R1.6074 CC(=O)Nc1ccc(cc1C(=O)N)C 1626a_100011692829_100015343762 [0,1,0,0,0,1|2,0,0]=4 403 B14R1.6074 CC(=O)Nc1ccc(cc1C(=O)N)C 22a_100011692829_100000070787 [0,1,0,0,0,1|2,0,0]=4 404 B14R1.6074 CC(=O)Nc1ccc(cc1C(=O)N)Cl 11a_100000743835_100015343762 [0,1,0,0,0,1|2,0,0]=4 405 B14R1.6074 CC(=O)Nc1ccc(cc1C(=O)N)Cl 1626a_100000743835_100015343762 [0,1,0,0,0,1|2,0,0]=4 406 B14R1.6074 CC(=O)Nc1ccc(cc1C(=O)N)Cl 22a_100000743835_100000070787 [0,1,0,0,0,1|2,0,0]=4 407 B14R1.6074 CC(=O)Nc1ccc(cc1C(=O)N)F 11a_100000741173_100015343762 [0,1,0,0,0,1|2,0,0]=4 408 B14R1.6074 CC(=O)Nc1ccc(cc1C(=O)N)F 1626a_100000741173_100015343762 [0,1,0,0,0,1|2,0,0]=4 409 B14R1.6074 CC(=O)Nc1ccc(cc1C(=O)N)F 22a_100000741173_100000070787 [0,1,0,0,0,1|2,0,0]=4 410 B14R1.6074 CC(=O)Nc1ccc(cc1C(=O)[13CH3])Br 1458a_100000195241_200025704644 [0,1,0,0,0,1|2,0,0]=4 411 B14R1.6074 CC(=O)Nc1ccc(cc1C(=O)[13CH3])F 1458a_100011219192_200025704644 [0,1,0,0,0,1|2,0,0]=4 412 B14R1.707 C=C(C)c1ccc(cc1C(=O)OC)Br 271570a_100000694244_100000148213 [0,2,0,0,0,0|2,0,0]=4 413 B14R1.707 C=C(C)c1ccc(cc1C(=O)OC)C 271570a_100000694244_100012339458 [0,2,0,0,0,0|2,0,0]=4 414 B14R1.707 C=C(C)c1ccc(cc1C(=O)OC)Cl 271570a_100000694244_100011294804 [0,2,0,0,0,0|2,0,0]=4 415 B14R1.707 C=C(C)c1ccc(cc1C(=O)OC)F 271570a_100000694244_100000205820 [0,2,0,0,0,0|2,0,0]=4 416 B14R1.707 C=C(C)c1ccc(cc1C(=O)OC)N 271570a_100000694244_100000696289 [0,2,0,0,0,0|2,0,0]=4 417 B14R1.707 C=C(C)c1ccc(cc1C(=O)OC)O 271570a_100000694244_100010230369 [0,2,0,0,0,0|2,0,0]=4 418 B14R1.1126 C=C(C)c1cc(ccc1C(=O)OC)Br 271570a_100000694244_100000701758 [0,2,0,0,0,0|2,0,0]=4 419 B14R1.1126 C=C(C)c1cc(ccc1C(=O)OC)C 271570a_100000694244_100012340597 [0,2,0,0,0,0|2,0,0]=4 420 B14R1.1126 C=C(C)c1cc(ccc1C(=O)OC)Cl 271570a_100000694244_100000047510 [0,2,0,0,0,0|2,0,0]=4 421 B14R1.1126 C=C(C)c1cc(ccc1C(=O)OC)F 271570a_100000694244_100000204356 [0,2,0,0,0,0|2,0,0]=4 422 B14R1.1126 C=C(C)c1cc(ccc1C(=O)OC)N 271570a_100000694244_100009998378 [0,2,0,0,0,0|2,0,0]=4 423 B14R1.1126 C=C(C)c1cc(ccc1C(=O)OC)O 271570a_100000694244_100010150825 [0,2,0,0,0,0|2,0,0]=4 424 B14R1.1126 COC(=O)c1ccc(cc1B(O)O)O 271570a_203496583355_100000070578 [0,2,0,0,0,0|1,0,1]=4 425 B14R1.1126 COC(=O)c1ccc(cc1C(=O)C)F 1458a_200010710419_200000210301 [0,2,0,0,0,0|1,0,0]=3 426 B14R1.1126 COC(=O)c1ccc(cc1C(=O)[13CH3])F 1458a_200010710419_200025704644 [0,2,0,0,0,0|1,0,0]=3 427 B14R1.1153 C=C(C)c1c(cccc1C(=O)OC)Br 271570a_100000694244_100010150843 [0,2,0,0,0,0|2,0,0]=4 428 B14R1.1153 C=C(C)c1c(cccc1C(=O)OC)C 271570a_100000694244_100012002529 [0,2,0,0,0,0|2,0,0]=4 429 B14R1.1153 C=C(C)c1c(cccc1C(=O)OC)F 271570a_100000694244_100012357630 [0,2,0,0,0,0|2,0,0]=4 430 B14R1.1153 C=C(C)c1c(cccc1C(=O)OC)N 271570a_100000694244_100000719424 [0,2,0,0,0,0|2,0,0]=4 431 B14R1.1153 C=C(C)c1c(cccc1C(=O)OC)O 271570a_100000694244_200010230364 [0,2,0,0,0,0|2,0,0]=4 432 B14R1.1153 COC(=O)c1cccc(c1C(=O)C)Br 1458a_100010710481_200000210301 [0,2,0,0,0,0|1,0,0]=3 433 B14R1.1153 COC(=O)c1cccc(c1C(=O)[13CH3])Br 1458a_100010710481_200025704644 [0,2,0,0,0,0|1,0,0]=3 434 B14R1.1164 C=C(C)c1cccc(c1C(=O)OC)Br 271570a_100000694244_100010247157 [0,2,0,0,0,0|2,0,0]=4 435 B14R1.1164 C=C(C)c1cccc(c1C(=O)OC)C 271570a_100000694244_100010204206 [0,2,0,0,0,0|2,0,0]=4 436 B14R1.1164 C=C(C)c1cccc(c1C(=O)OC)Cl 271570a_100000694244_100010150959 [0,2,0,0,0,0|2,0,0]=4 437 B14R1.1164 C=C(C)c1cccc(c1C(=O)OC)F 271570a_100000694244_100000150693 [0,2,0,0,0,0|2,0,0]=4 438 B14R1.1164 C=C(C)c1cccc(c1C(=O)OC)N 271570a_100000694244_100010253892 [0,2,0,0,0,0|2,0,0]=4 439 B14R1.623 C=C(C)c1ccccc1C(=O)OCC 271570a_100000694244_100000169879 [0,2,0,0,0,0|2,0,0]=4 440 B14R1.623 CS(=O)c1ccccc1C(=O)CCO 1458a_100000204632_100000211926 [0,2,0,0,0,0|2,0,0]=4 441 B14R1.623 O=C(CCO)c1ccccc1I(=O)=O 1458a_100000061294_100000211926 [0,2,0,0,0,0|1,0,1]=4 442 B14R1.623 O=C(CCO)c1ccccc1[N+](=O)[O-] 1458a_100000188706_100000211926 [0,2,0,0,0,0|1,0,1]=4 443 B14R1.746 CCC(=O)c1ccccc1C(=O)OC 1458a_100011215673_100000210202 [0,2,0,0,0,0|1,0,0]=3 444 B14R1.746 CNC(=O)c1ccccc1C(=O)OC 1626a_100102657272_100011215673 [0,2,0,0,0,0|1,0,0]=3 445 B14R1.746 CNC(=O)c1ccccc1C(=O)OC 240690a_100102657272_100011215673 [0,2,0,0,0,0|1,0,0]=3 446 B14R1.746 COC(=O)c1ccccc1C(=O)CF 1458a_100011215673_100015361967 [0,2,0,0,0,0|1,0,0]=3 447 B12R1.226 CC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_200016266566 [0,0,1,1,0,0|2,0,0]=4 448 B12R1.11 C=Cc1cc(cc(c1)C(=O)N)O 271570a_100011290941_100010084318 [0,0,1,1,0,0|2,0,0]=4 449 B12R2.1081 Oc1cccc2c1cccc2 271570a_203496583355_100000210605 [1,0,0,1,0,0|2,0,0]=4 450 B12R2.1081 Oc1cncc2c1cccc2 271570a_203496583355_100000187577 [1,0,0,1,0,0|2,0,0]=4 451 B12R2.1081 Oc1nccc2c1cccc2 271570a_203496583355_100011934041 [1,0,0,1,0,0|2,0,0]=4 452 B14R2.25733 CC(=O)C1CC(=O)c2c1cccc2 1458a_100000070787_100010208147 [0,0,0,1,0,1|2,0,0]=4 453 B14R2.25733 CC(=O)n1cc(c2c1cccc2)O 271570a_203496583355_100010365038 [0,0,0,1,0,1|2,0,0]=4 454 B14R2.8751 O=c1[nH]cc(c2c1ccc(c2)F)O 271570a_203496583355_100010191626 [0,1,0,1,0,0|2,0,0]=4 455 B14R2.8751 Oc1ccc2c(nnc(c2c1)O)O 271570a_203496583355_100009992796 [0,1,0,1,0,0|2,0,0]=4 456 B14R2.24350 C=C(C)c1cccc2c1C(=O)CO2 271570a_100000694244_100010205902 [0,1,0,1,0,0|2,0,0]=4 457 B14R2.24350 C=C(C)c1cccc2c1C(=O)OC2 271570a_100000694244_100010132333 [0,1,0,1,0,0|2,0,0]=4 458 B14R2.24350 CC(=O)c1cccc2c1C(=O)NC2 1458a_100000103835_200000210301 [0,1,0,1,0,0|2,0,0]=4 459 B14R2.24350 [13CH3]C(=O)c1cccc2c1C(=O)NC2 1458a_100000103835_200025704644 [0,1,0,1,0,0|2,0,0]=4 460 B14R2.1131 COc1ccc(c2c1cccc2)O 271570a_203496583355_100011256618 [0,1,0,1,0,0|2,0,0]=4 461 B14R2.1131 COc1cnc(c2c1cccc2)O 271570a_203496583355_100009847308 [0,1,0,1,0,0|2,0,0]=4 462 B14R2.1131 COc1ncc(c2c1cccc2)O 271570a_203496583355_100010220697 [0,1,0,1,0,0|2,0,0]=4 463 B14R2.1131 O=Cc1ccc(c2c1cccc2)O 271570a_203496583355_100012359940 [0,1,0,1,0,0|2,0,0]=4 464 B14R2.7724 Cn1cc(c2ccccc2c1=O)O 271570a_203496583355_100000239302 [0,1,0,1,0,0|2,0,0]=4 465 B12R1.75 C=Cc1ccccc1CC(=O)C 271570a_100011290941_100011350739 [1,0,0,0,0,1|2,0,0]=4 466 B12R1.75 C=Cc1ccccc1CC(=O)N 271570a_100011290941_200009814924 [1,0,0,0,0,1|2,0,0]=4 467 B12R1.75 C=Cc1ccccc1NC(=O)C 11a_100012022501_100015343762 [1,0,0,0,0,1|2,0,0]=4 468 B12R1.75 C=Cc1ccccc1NC(=O)C 1626a_100012022501_100015343762 [1,0,0,0,0,1|2,0,0]=4 469 B12R1.75 C=Cc1ccccc1NC(=O)C 22a_100012022501_100000070787 [1,0,0,0,0,1|2,0,0]=4 470 B12R1.75 C=Cc1ccccc1NC(=O)C 271570a_100011290941_100000153524 [1,0,0,0,0,1|2,0,0]=4 471 B12R1.75 C=Cc1ccccc1NC(=O)N 271570a_100011290941_100000742221 [1,0,0,0,0,1|2,0,0]=4 472 B12R1.75 C=Cc1ccccc1OC(=O)C 271570a_100011290941_100000051690 [1,0,0,0,0,1|2,0,0]=4 473 B12R1.75 CC(=Cc1ccccc1C=O)C 271570a_100102525489_100000211189 [1,0,0,0,0,1|2,0,0]=4 474 B12R1.75 CC(=O)Cc1ccccc1C=O 1458a_100000070787_200009853537 [1,0,0,0,0,1|1,0,0]=3 475 B12R1.75 CC(=O)Cc1ccccc1CO 1458a_100000070787_100009816955 [1,0,0,0,0,1|1,0,1]=4 476 B12R1.75 CC(=O)Nc1ccccc1CO 22a_100000212039_100000070787 [1,0,0,0,0,1|1,0,1]=4 477 B12R1.258 CC(=O)c1cccc(c1)C(=O)N 1458a_100000736676_200000210301 [0,0,0,0,1,1|2,0,0]=4 478 B12R1.258 [13CH3]C(=O)c1cccc(c1)C(=O)N 1458a_100000736676_200025704644 [0,0,0,0,1,1|2,0,0]=4 479 B14R1.814 CC(=O)Nc1ccccc1NC(=O)C 11a_100011193560_100015343762 [0,0,0,0,0,2|2,0,0]=4 480 B14R1.814 CC(=O)Nc1ccccc1NC(=O)C 1626a_100011193560_100015343762 [0,0,0,0,0,2|2,0,0]=4 481 B14R1.814 CC(=O)Nc1ccccc1NC(=O)C 22a_100011193560_100000070787 [0,0,0,0,0,2|2,0,0]=4 482 B14R1.4522 C=C(C)CSc1ccccc1C(=O)O 62a_100000748629_100000734275 [0,0,0,0,0,2|2,0,0]=4 483 B14R1.4522 C=C(C)CSc1ccccc1C(=O)O 62a_202125556159_100000211660 [0,0,0,0,0,2|2,0,0]=4 484 B14R1.4522 C=C(F)CSc1ccccc1C(=O)O 62a_100000042424_100000734275 [0,0,0,0,0,2|2,0,0]=4 485 B14R1.4522 C=C(F)CSc1ccccc1C(=O)O 62a_202125556159_100000042424 [0,0,0,0,0,2|2,0,0]=4 486 B14R1.4522 CC(=O)COc1ccccc1C(=O)N 1458a_100000182327_200000210301 [0,0,0,0,0,2|2,0,0]=4 487 B14R1.4522 CC(=O)c1ccccc1SCC(=O)N 1458a_100000180052_200000210301 [0,0,0,0,0,2|2,0,0]=4 488 B14R1.4522 CC(=O)c1ccccc1SCC(=O)N 62a_100000751169_100000747473 [0,0,0,0,0,2|2,0,0]=4 489 B14R1.4522 CC(=O)c1ccccc1SCC(=O)[O-] 62a_100000751169_100020667443 [0,0,0,0,0,2|1,0,1]=4 490 B14R1.4522 CC(O)CSc1ccccc1C(=O)O 62a_100011218427_100000734275 [0,0,0,0,0,2|1,0,1]=4 491 B14R1.4522 CC(O)CSc1ccccc1C(=O)O 62a_202125556159_100011218427 [0,0,0,0,0,2|1,0,1]=4 492 B14R1.4522 C[C@@H](O)CSc1ccccc1C(=O)O 62a_100009817552_100000734275 [0,0,0,0,0,2|1,0,1]=4 493 B14R1.4522 C[C@@H](O)CSc1ccccc1C(=O)O 62a_202125556159_100009817552 [0,0,0,0,0,2|1,0,1]=4 494 B14R1.4522 NC(=O)CNc1ccccc1C(=O)N 34a_100000185089_100000187820 [0,0,0,0,0,2|2,0,0]=4 495 B14R1.4522 NC(=O)COc1ccccc1C(=O)N 34a_100000192804_100000187820 [0,0,0,0,0,2|2,0,0]=4 496 B14R1.4522 NC(=O)COc1ccccc1C(=O)N 7a_100000192804_100000187820 [0,0,0,0,0,2|2,0,0]=4 497 B14R1.4522 NC(=O)COc1ccccc1C(=O)[O-] 7a_100015234032_100000187820 [0,0,0,0,0,2|1,0,1]=4 498 B14R1.4522 NC(=O)CSc1ccccc1C(=O)N 62a_100000162227_100000747473 [0,0,0,0,0,2|2,0,0]=4 499 B14R1.4522 NC(=O)CSc1ccccc1C(=O)N 62a_100000747473_100000162227 [0,0,0,0,0,2|2,0,0]=4 500 B14R1.4522 NC(=O)CSc1ccccc1C(=O)O 62a_100000747473_100000734275 [0,0,0,0,0,2|1,0,0]=3 501 B14R1.4522 NC(=O)CSc1ccccc1C(=O)O 62a_202125556159_100000747473 [0,0,0,0,0,2|1,0,0]=3 502 B14R1.4522 NC(=O)c1ccccc1NCC(=O)[O-] 34a_100000185089_100020667443 [0,0,0,0,0,2|1,0,1]=4 503 B14R1.4522 NC(=O)c1ccccc1OCC(=O)[O-] 34a_100000192804_100020667443 [0,0,0,0,0,2|1,0,1]=4 504 B14R1.4522 NC(=O)c1ccccc1SCC(=O)[O-] 62a_100000162227_100020667443 [0,0,0,0,0,2|1,0,1]=4 505 B14R1.4522 NC(=O)c1ccccc1SCC(=O)[O-] 62a_100020667443_100000162227 [0,0,0,0,0,2|1,0,1]=4 506 B14R1.4522 O=C(O)c1ccccc1SC[N+](=O)[O-] 62a_202125556159_100000761209 [0,0,0,0,0,2|1,0,1]=4 507 B14R1.4522 O=C([O-])CSc1ccccc1C(=O)O 62a_100020667443_100000734275 [0,0,0,0,0,2|0,0,1]=3 508 B14R1.4522 O=C([O-])CSc1ccccc1C(=O)O 62a_202125556159_100020667443 [0,0,0,0,0,2|0,0,1]=3 509 B14R1.4522 [13CH3]C(=O)COc1ccccc1C(=O)N 1458a_100000182327_200025704644 [0,0,0,0,0,2|2,0,0]=4 510 B14R1.4522 [13CH3]C(=O)c1ccccc1SCC(=O)N 1458a_100000180052_200025704644 [0,0,0,0,0,2|2,0,0]=4