0 B13R1.164 C=C(C)CNc1ccc(cc1O)O 34a_100000106777_100000748629 [0,0,0,0,0,0|3,0,1]=4 1 B13R1.164 C=C(C)CSc1ccc(cc1O)O 62a_100000748629_100009813921 [0,0,0,0,0,0|3,0,1]=4 2 B13R1.164 C=C(F)CNc1ccc(cc1O)O 34a_100000106777_100009893438 [0,0,0,0,0,0|3,0,1]=4 3 B13R1.164 C=C(F)CSc1ccc(cc1O)O 62a_100000042424_100009813921 [0,0,0,0,0,0|3,0,1]=4 4 B13R1.164 CC(=O)C=Cc1ccc(cc1Br)F 1458a_200102591336_200000210301 [0,0,0,0,0,0|3,0,0]=3 5 B13R1.164 CC(=O)C=Cc1ccc(cc1Cl)Br 1458a_100102525105_200000210301 [0,0,0,0,0,0|3,0,0]=3 6 B13R1.164 CC(=O)C=Cc1ccc(cc1Cl)Cl 1458a_100016270030_200000210301 [0,0,0,0,0,0|3,0,0]=3 7 B13R1.164 CC(=O)C=Cc1ccc(cc1Cl)F 1458a_200102525072_200000210301 [0,0,0,0,0,0|3,0,0]=3 8 B13R1.164 CC(=O)C=Cc1ccc(cc1F)Br 1458a_100011214948_200000210301 [0,0,0,0,0,0|3,0,0]=3 9 B13R1.164 CC(=O)C=Cc1ccc(cc1F)Cl 1458a_100102561868_200000210301 [0,0,0,0,0,0|3,0,0]=3 10 B13R1.164 CC(=O)C=Cc1ccc(cc1F)F 1458a_100011195072_200000210301 [0,0,0,0,0,0|3,0,0]=3 11 B13R1.164 CC(=O)CCc1ccc(cc1O)O 1458a_100000041388_200000210301 [0,0,0,0,0,0|1,0,2]=3 12 B13R1.164 CC(=O)COc1ccc(cc1O)Cl 1458a_100010174420_200000210301 [0,0,0,0,0,0|3,0,1]=4 13 B13R1.164 CC(=O)NCc1ccc(cc1Cl)O 240690a_200161156549_100015343762 [0,0,0,0,0,0|3,0,1]=4 14 B13R1.164 CC(=O)NCc1ccc(cc1Cl)O 527a_200161156549_100103153847 [0,0,0,0,0,0|3,0,1]=4 15 B13R1.164 CC(C)C=Cc1ccc(cc1Br)O 271570a_100016257149_100000701344 [0,0,0,0,0,0|3,0,1]=4 16 B13R1.164 CC(C)C=Cc1ccc(cc1Cl)O 271570a_100016257149_100000047559 [0,0,0,0,0,0|3,0,1]=4 17 B13R1.164 CC(C)C=Cc1ccc(cc1F)O 271570a_100016257149_100000755031 [0,0,0,0,0,0|3,0,1]=4 18 B13R1.164 CC(C)C=Cc1ccc(cc1N)O 271570a_100016257149_100011999798 [0,0,0,0,0,0|3,0,1]=4 19 B13R1.164 CC(C)C=Cc1ccc(cc1O)Br 271570a_100016257149_100012344904 [0,0,0,0,0,0|3,0,1]=4 20 B13R1.164 CC(C)C=Cc1ccc(cc1O)Cl 271570a_100016257149_100000050036 [0,0,0,0,0,0|3,0,1]=4 21 B13R1.164 CC(C)C=Cc1ccc(cc1O)F 271570a_100016257149_100000690578 [0,0,0,0,0,0|3,0,1]=4 22 B13R1.164 CC(C)C=Cc1ccc(cc1O)O 271570a_100016257149_100009813921 [0,0,0,0,0,0|2,0,1]=3 23 B13R1.164 CC(O)C=Cc1ccc(cc1Br)Br 271570a_200011019289_100011484698 [0,0,0,0,0,0|3,0,1]=4 24 B13R1.164 CC(O)C=Cc1ccc(cc1Br)Cl 271570a_200011019289_100011219703 [0,0,0,0,0,0|3,0,1]=4 25 B13R1.164 CC(O)C=Cc1ccc(cc1Br)F 271570a_200011019289_100011217111 [0,0,0,0,0,0|3,0,1]=4 26 B13R1.164 CC(O)C=Cc1ccc(cc1Br)N 271570a_200011019289_100000750458 [0,0,0,0,0,0|3,0,1]=4 27 B13R1.164 CC(O)C=Cc1ccc(cc1Br)O 271570a_200011019289_100000701344 [0,0,0,0,0,0|2,0,1]=3 28 B13R1.164 CC(O)C=Cc1ccc(cc1Cl)Br 271570a_200011019289_100011216062 [0,0,0,0,0,0|3,0,1]=4 29 B13R1.164 CC(O)C=Cc1ccc(cc1Cl)Cl 271570a_200011019289_100000699841 [0,0,0,0,0,0|3,0,1]=4 30 B13R1.164 CC(O)C=Cc1ccc(cc1Cl)F 271570a_200011019289_100000733362 [0,0,0,0,0,0|3,0,1]=4 31 B13R1.164 CC(O)C=Cc1ccc(cc1Cl)N 271570a_200011019289_100000761885 [0,0,0,0,0,0|3,0,1]=4 32 B13R1.164 CC(O)C=Cc1ccc(cc1Cl)O 271570a_200011019289_100000047559 [0,0,0,0,0,0|2,0,1]=3 33 B13R1.164 CC(O)C=Cc1ccc(cc1F)Br 271570a_200011019289_100009814013 [0,0,0,0,0,0|3,0,1]=4 34 B13R1.164 CC(O)C=Cc1ccc(cc1F)Cl 271570a_200011019289_100011216042 [0,0,0,0,0,0|3,0,1]=4 35 B13R1.164 CC(O)C=Cc1ccc(cc1F)F 271570a_200011019289_100000750030 [0,0,0,0,0,0|3,0,1]=4 36 B13R1.164 CC(O)C=Cc1ccc(cc1F)N 271570a_200011019289_100011356925 [0,0,0,0,0,0|3,0,1]=4 37 B13R1.164 CC(O)C=Cc1ccc(cc1F)O 271570a_200011019289_100000755031 [0,0,0,0,0,0|2,0,1]=3 38 B13R1.164 CC(O)C=Cc1ccc(cc1N)Br 271570a_200011019289_100000743836 [0,0,0,0,0,0|3,0,1]=4 39 B13R1.164 CC(O)C=Cc1ccc(cc1N)Cl 271570a_200011019289_100000761886 [0,0,0,0,0,0|3,0,1]=4 40 B13R1.164 CC(O)C=Cc1ccc(cc1N)F 271570a_200011019289_100011218093 [0,0,0,0,0,0|3,0,1]=4 41 B13R1.164 CC(O)C=Cc1ccc(cc1N)N 271570a_200011019289_200012175722 [0,0,0,0,0,0|3,0,1]=4 42 B13R1.164 CC(O)C=Cc1ccc(cc1N)O 271570a_200011019289_100011999798 [0,0,0,0,0,0|2,0,1]=3 43 B13R1.164 CC(O)C=Cc1ccc(cc1O)Br 271570a_200011019289_100012344904 [0,0,0,0,0,0|2,0,1]=3 44 B13R1.164 CC(O)C=Cc1ccc(cc1O)Cl 271570a_200011019289_100000050036 [0,0,0,0,0,0|2,0,1]=3 45 B13R1.164 CC(O)C=Cc1ccc(cc1O)F 271570a_200011019289_100000690578 [0,0,0,0,0,0|2,0,1]=3 46 B13R1.164 CC(O)C=Cc1ccc(cc1O)O 271570a_200011019289_100009813921 [0,0,0,0,0,0|1,0,1]=2 47 B13R1.164 CC(O)C=Cc1ccc(nc1F)O 271570a_200011019289_100009879308 [0,0,0,0,0,0|3,0,1]=4 48 B13R1.164 CC(O)C=Cc1ncc(cc1F)O 271570a_200011019289_100000063512 [0,0,0,0,0,0|3,0,1]=4 49 B13R1.164 CC(O)C=Cc1ncc(cc1O)Br 271570a_200011019289_100010210634 [0,0,0,0,0,0|3,0,1]=4 50 B13R1.164 CC(O)C=Cc1ncc(cc1O)Cl 271570a_200011019289_100010233512 [0,0,0,0,0,0|3,0,1]=4 51 B13R1.164 CC(O)C=Cc1ncc(cc1O)F 271570a_200011019289_100000079967 [0,0,0,0,0,0|3,0,1]=4 52 B13R1.164 CC(O)CNc1ccc(cc1O)O 34a_100000106777_100011218427 [0,0,0,0,0,0|2,0,2]=4 53 B13R1.164 CC(O)CSc1ccc(cc1O)O 62a_100011218427_100009813921 [0,0,0,0,0,0|2,0,2]=4 54 B13R1.164 C[C@@H](O)CNc1ccc(cc1O)O 34a_100000106777_100009817552 [0,0,0,0,0,0|2,0,2]=4 55 B13R1.164 C[C@@H](O)CSc1ccc(cc1O)O 62a_100009817552_100009813921 [0,0,0,0,0,0|2,0,2]=4 56 B13R1.164 Cc1cc(c(cn1)C=CC(C)O)O 271570a_200011019289_100011016184 [0,0,0,0,0,0|3,0,1]=4 57 B13R1.164 Cc1cc(ccc1C=CC(C)C)O 271570a_100016257149_100000729255 [0,0,0,0,0,0|3,0,1]=4 58 B13R1.164 Cc1cc(ccc1C=CC(C)O)Br 271570a_200011019289_100000701812 [0,0,0,0,0,0|3,0,1]=4 59 B13R1.164 Cc1cc(ccc1C=CC(C)O)Cl 271570a_200011019289_100011219607 [0,0,0,0,0,0|3,0,1]=4 60 B13R1.164 Cc1cc(ccc1C=CC(C)O)F 271570a_200011019289_100011205405 [0,0,0,0,0,0|3,0,1]=4 61 B13R1.164 Cc1cc(ccc1C=CC(C)O)N 271570a_200011019289_100000210723 [0,0,0,0,0,0|3,0,1]=4 62 B13R1.164 Cc1cc(ccc1C=CC(C)O)O 271570a_200011019289_100000729255 [0,0,0,0,0,0|2,0,1]=3 63 B13R1.164 Cc1cc(ccc1NCC(=O)N)O 34a_100000756630_100000187820 [0,0,0,0,0,0|3,0,1]=4 64 B13R1.164 Cc1cc(ccc1NCC(=O)[O-])O 34a_100000756630_100020667443 [0,0,0,0,0,0|2,0,2]=4 65 B13R1.164 Cc1cc(ccc1SCC(=O)N)O 62a_100000747473_100000690111 [0,0,0,0,0,0|3,0,1]=4 66 B13R1.164 Cc1cc(ccc1SCC(=O)[O-])O 62a_100020667443_100000690111 [0,0,0,0,0,0|2,0,2]=4 67 B13R1.164 Cc1cc(cnc1C=CC(C)O)O 271570a_200011019289_100012000486 [0,0,0,0,0,0|3,0,1]=4 68 B13R1.164 Cc1cc(ncc1C=CC(C)O)O 271570a_200011019289_100010114363 [0,0,0,0,0,0|3,0,1]=4 69 B13R1.164 Cc1ccc(c(c1)Br)C=CC(C)O 271570a_200011019289_100009813563 [0,0,0,0,0,0|3,0,1]=4 70 B13R1.164 Cc1ccc(c(c1)C)C=CC(C)O 271570a_200011019289_100011217332 [0,0,0,0,0,0|3,0,1]=4 71 B13R1.164 Cc1ccc(c(c1)Cl)C=CC(C)O 271570a_200011019289_100011263221 [0,0,0,0,0,0|3,0,1]=4 72 B13R1.164 Cc1ccc(c(c1)F)C=CC(C)O 271570a_200011019289_100011216119 [0,0,0,0,0,0|3,0,1]=4 73 B13R1.164 Cc1ccc(c(c1)N)C=CC(C)O 271570a_200011019289_100011216686 [0,0,0,0,0,0|3,0,1]=4 74 B13R1.164 Cc1ccc(c(c1)O)C=CC(C)C 271570a_100016257149_100012002257 [0,0,0,0,0,0|3,0,1]=4 75 B13R1.164 Cc1ccc(c(c1)O)C=CC(C)O 271570a_200011019289_100012002257 [0,0,0,0,0,0|2,0,1]=3 76 B13R1.164 Cc1ccc(c(c1)O)NCC(=O)N 34a_100000211527_100000187820 [0,0,0,0,0,0|3,0,1]=4 77 B13R1.164 Cc1ccc(c(c1)O)NCC(=O)[O-] 34a_100000211527_100020667443 [0,0,0,0,0,0|2,0,2]=4 78 B13R1.164 Cc1ccc(c(c1)O)OCC(=O)N 271570a_203496583355_200000148664 [0,0,0,0,0,0|3,0,1]=4 79 B13R1.164 Cc1ccc(c(c1)O)SCC(=O)N 62a_100000747473_100012002257 [0,0,0,0,0,0|3,0,1]=4 80 B13R1.164 Cc1ccc(c(c1)O)SCC(=O)N 62a_100012002257_100000747473 [0,0,0,0,0,0|3,0,1]=4 81 B13R1.164 Cc1ccc(c(c1)O)SCC(=O)[O-] 62a_100012002257_100020667443 [0,0,0,0,0,0|2,0,2]=4 82 B13R1.164 Cc1ccc(c(c1)O)SCC(=O)[O-] 62a_100020667443_100012002257 [0,0,0,0,0,0|2,0,2]=4 83 B13R1.164 Cc1ccc(c(n1)O)C=CC(C)O 271570a_200011019289_100009817604 [0,0,0,0,0,0|3,0,1]=4 84 B13R1.164 Cc1cnc(c(c1)O)C=CC(C)O 271570a_200011019289_100012000487 [0,0,0,0,0,0|3,0,1]=4 85 B13R1.164 Cc1nc(ccc1C=CC(C)O)O 271570a_200011019289_100000691680 [0,0,0,0,0,0|3,0,1]=4 86 B13R1.164 NC(=O)CNc1ccc(cc1Br)O 34a_100012001276_100000187820 [0,0,0,0,0,0|3,0,1]=4 87 B13R1.164 NC(=O)CNc1ccc(cc1Cl)O 34a_100011215599_100000187820 [0,0,0,0,0,0|3,0,1]=4 88 B13R1.164 NC(=O)CNc1ccc(cc1F)O 34a_100000759473_100000187820 [0,0,0,0,0,0|3,0,1]=4 89 B13R1.164 NC(=O)CNc1ccc(cc1I)O 34a_100010084370_100000187820 [0,0,0,0,0,0|3,0,1]=4 90 B13R1.164 NC(=O)CNc1ccc(cc1O)Br 34a_100000739049_100000187820 [0,0,0,0,0,0|3,0,1]=4 91 B13R1.164 NC(=O)CNc1ccc(cc1O)Cl 34a_100000185728_100000187820 [0,0,0,0,0,0|3,0,1]=4 92 B13R1.164 NC(=O)CNc1ccc(cc1O)F 34a_100000753323_100000187820 [0,0,0,0,0,0|3,0,1]=4 93 B13R1.164 NC(=O)CNc1ccc(cc1O)O 34a_100000106777_100000187820 [0,0,0,0,0,0|2,0,1]=3 94 B13R1.164 NC(=O)CSc1ccc(cc1Br)O 62a_100000701344_100000747473 [0,0,0,0,0,0|3,0,1]=4 95 B13R1.164 NC(=O)CSc1ccc(cc1Br)O 62a_100000747473_100000701344 [0,0,0,0,0,0|3,0,1]=4 96 B13R1.164 NC(=O)CSc1ccc(cc1Cl)O 62a_100000047559_100000747473 [0,0,0,0,0,0|3,0,1]=4 97 B13R1.164 NC(=O)CSc1ccc(cc1Cl)O 62a_100000747473_100000047559 [0,0,0,0,0,0|3,0,1]=4 98 B13R1.164 NC(=O)CSc1ccc(cc1F)O 62a_100000747473_100000755031 [0,0,0,0,0,0|3,0,1]=4 99 B13R1.164 NC(=O)CSc1ccc(cc1F)O 62a_100000755031_100000747473 [0,0,0,0,0,0|3,0,1]=4 100 B13R1.164 NC(=O)CSc1ccc(cc1N)O 62a_100000747473_100011999798 [0,0,0,0,0,0|3,0,1]=4 101 B13R1.164 NC(=O)CSc1ccc(cc1N)O 62a_100011999798_100000747473 [0,0,0,0,0,0|3,0,1]=4 102 B13R1.164 NC(=O)CSc1ccc(cc1O)Br 62a_100000747473_100012344904 [0,0,0,0,0,0|3,0,1]=4 103 B13R1.164 NC(=O)CSc1ccc(cc1O)Br 62a_100012344904_100000747473 [0,0,0,0,0,0|3,0,1]=4 104 B13R1.164 NC(=O)CSc1ccc(cc1O)Cl 62a_100000050036_100000747473 [0,0,0,0,0,0|3,0,1]=4 105 B13R1.164 NC(=O)CSc1ccc(cc1O)Cl 62a_100000747473_100000050036 [0,0,0,0,0,0|3,0,1]=4 106 B13R1.164 NC(=O)CSc1ccc(cc1O)F 62a_100000690578_100000747473 [0,0,0,0,0,0|3,0,1]=4 107 B13R1.164 NC(=O)CSc1ccc(cc1O)F 62a_100000747473_100000690578 [0,0,0,0,0,0|3,0,1]=4 108 B13R1.164 NC(=O)CSc1ccc(cc1O)O 62a_100000747473_100009813921 [0,0,0,0,0,0|2,0,1]=3 109 B13R1.164 Nc1cc(ccc1SCC(=O)[O-])O 62a_100011999798_100020667443 [0,0,0,0,0,0|2,0,2]=4 110 B13R1.164 Nc1cc(ccc1SCC(=O)[O-])O 62a_100020667443_100011999798 [0,0,0,0,0,0|2,0,2]=4 111 B13R1.164 O=C([O-])CNc1ccc(cc1Br)O 34a_100012001276_100020667443 [0,0,0,0,0,0|2,0,2]=4 112 B13R1.164 O=C([O-])CNc1ccc(cc1Cl)O 34a_100011215599_100020667443 [0,0,0,0,0,0|2,0,2]=4 113 B13R1.164 O=C([O-])CNc1ccc(cc1F)O 34a_100000759473_100020667443 [0,0,0,0,0,0|2,0,2]=4 114 B13R1.164 O=C([O-])CNc1ccc(cc1I)O 34a_100010084370_100020667443 [0,0,0,0,0,0|2,0,2]=4 115 B13R1.164 O=C([O-])CNc1ccc(cc1O)Br 34a_100000739049_100020667443 [0,0,0,0,0,0|2,0,2]=4 116 B13R1.164 O=C([O-])CNc1ccc(cc1O)Cl 34a_100000185728_100020667443 [0,0,0,0,0,0|2,0,2]=4 117 B13R1.164 O=C([O-])CNc1ccc(cc1O)F 34a_100000753323_100020667443 [0,0,0,0,0,0|2,0,2]=4 118 B13R1.164 O=C([O-])CNc1ccc(cc1O)O 34a_100000106777_100020667443 [0,0,0,0,0,0|1,0,2]=3 119 B13R1.164 O=C([O-])CSc1ccc(cc1Br)O 62a_100000701344_100020667443 [0,0,0,0,0,0|2,0,2]=4 120 B13R1.164 O=C([O-])CSc1ccc(cc1Br)O 62a_100020667443_100000701344 [0,0,0,0,0,0|2,0,2]=4 121 B13R1.164 O=C([O-])CSc1ccc(cc1Cl)O 62a_100000047559_100020667443 [0,0,0,0,0,0|2,0,2]=4 122 B13R1.164 O=C([O-])CSc1ccc(cc1Cl)O 62a_100020667443_100000047559 [0,0,0,0,0,0|2,0,2]=4 123 B13R1.164 O=C([O-])CSc1ccc(cc1F)O 62a_100000755031_100020667443 [0,0,0,0,0,0|2,0,2]=4 124 B13R1.164 O=C([O-])CSc1ccc(cc1F)O 62a_100020667443_100000755031 [0,0,0,0,0,0|2,0,2]=4 125 B13R1.164 O=C([O-])CSc1ccc(cc1O)Br 62a_100012344904_100020667443 [0,0,0,0,0,0|2,0,2]=4 126 B13R1.164 O=C([O-])CSc1ccc(cc1O)Br 62a_100020667443_100012344904 [0,0,0,0,0,0|2,0,2]=4 127 B13R1.164 O=C([O-])CSc1ccc(cc1O)Cl 62a_100000050036_100020667443 [0,0,0,0,0,0|2,0,2]=4 128 B13R1.164 O=C([O-])CSc1ccc(cc1O)Cl 62a_100020667443_100000050036 [0,0,0,0,0,0|2,0,2]=4 129 B13R1.164 O=C([O-])CSc1ccc(cc1O)F 62a_100000690578_100020667443 [0,0,0,0,0,0|2,0,2]=4 130 B13R1.164 O=C([O-])CSc1ccc(cc1O)F 62a_100020667443_100000690578 [0,0,0,0,0,0|2,0,2]=4 131 B13R1.164 O=C([O-])CSc1ccc(cc1O)O 62a_100020667443_100009813921 [0,0,0,0,0,0|1,0,2]=3 132 B13R1.164 O=[N+]([O-])CNc1ccc(cc1O)O 34a_100000106777_100000761209 [0,0,0,0,0,0|2,0,2]=4 133 B13R1.164 [13CH3]C(=O)C=Cc1ccc(cc1Br)F 1458a_200102591336_200025704644 [0,0,0,0,0,0|3,0,0]=3 134 B13R1.164 [13CH3]C(=O)C=Cc1ccc(cc1Cl)Br 1458a_100102525105_200025704644 [0,0,0,0,0,0|3,0,0]=3 135 B13R1.164 [13CH3]C(=O)C=Cc1ccc(cc1Cl)Cl 1458a_100016270030_200025704644 [0,0,0,0,0,0|3,0,0]=3 136 B13R1.164 [13CH3]C(=O)C=Cc1ccc(cc1Cl)F 1458a_200102525072_200025704644 [0,0,0,0,0,0|3,0,0]=3 137 B13R1.164 [13CH3]C(=O)C=Cc1ccc(cc1F)Br 1458a_100011214948_200025704644 [0,0,0,0,0,0|3,0,0]=3 138 B13R1.164 [13CH3]C(=O)C=Cc1ccc(cc1F)Cl 1458a_100102561868_200025704644 [0,0,0,0,0,0|3,0,0]=3 139 B13R1.164 [13CH3]C(=O)C=Cc1ccc(cc1F)F 1458a_100011195072_200025704644 [0,0,0,0,0,0|3,0,0]=3 140 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1O)O 1458a_100000041388_200025704644 [0,0,0,0,0,0|1,0,2]=3 141 B13R1.164 [13CH3]C(=O)COc1ccc(cc1O)Cl 1458a_100010174420_200025704644 [0,0,0,0,0,0|3,0,1]=4 142 B12R1.21 CC(=O)/C=C/c1ccc(cc1)O 271570a_203496583355_200016259395 [1,0,0,0,0,0|1,0,0]=2 143 B12R1.21 CC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200000210301 [1,0,0,0,0,0|2,0,0]=3 144 B12R1.21 CC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_200000210301 [1,0,0,0,0,0|2,0,0]=3 145 B12R1.21 CC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200000210301 [1,0,0,0,0,0|2,0,0]=3 146 B12R1.21 CC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200000210301 [1,0,0,0,0,0|2,0,0]=3 147 B12R1.21 CC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200000210301 [1,0,0,0,0,0|2,0,0]=3 148 B12R1.21 CC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_200000210301 [1,0,0,0,0,0|3,0,0]=4 149 B12R1.21 CC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_200000210301 [1,0,0,0,0,0|3,0,0]=4 150 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000070787_100009816426 [1,0,0,0,0,0|1,0,2]=4 151 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000742835_200000210301 [1,0,0,0,0,0|1,0,2]=4 152 B12R1.21 CC(=O)CCc1ccc(cc1)O 271570a_203496583355_100000723691 [1,0,0,0,0,0|1,0,2]=4 153 B12R1.21 CC(=O)COc1ccc(cc1)O 1458a_100000031633_200000210301 [1,0,0,0,0,0|2,0,1]=4 154 B12R1.21 CC(=O)NCc1ccc(cc1)O 240690a_100000185549_100015343762 [1,0,0,0,0,0|2,0,1]=4 155 B12R1.21 CC(=O)NCc1ccc(cc1)O 271570a_203496583355_200000685173 [1,0,0,0,0,0|2,0,1]=4 156 B12R1.21 CC(=O)NCc1ccc(cc1)O 527a_100000185549_100103153847 [1,0,0,0,0,0|2,0,1]=4 157 B12R1.21 CC(=O)NNc1ccc(cc1)O 271570a_203496583355_200009815283 [1,0,0,0,0,0|3,0,0]=4 158 B12R1.21 CC(C)C=Cc1ccc(cc1)O 271570a_100016257149_100000185759 [1,0,0,0,0,0|2,0,1]=4 159 B12R1.21 CC(O)C=Cc1ccc(cc1)Br 271570a_200011019289_100000752885 [1,0,0,0,0,0|2,0,1]=4 160 B12R1.21 CC(O)C=Cc1ccc(cc1)Cl 271570a_200011019289_100000755918 [1,0,0,0,0,0|2,0,1]=4 161 B12R1.21 CC(O)C=Cc1ccc(cc1)F 271570a_200011019289_100000211213 [1,0,0,0,0,0|2,0,1]=4 162 B12R1.21 CC(O)C=Cc1ccc(cc1)N 271570a_200011019289_100000185761 [1,0,0,0,0,0|2,0,1]=4 163 B12R1.21 CC(O)C=Cc1ccc(cc1)O 271570a_200011019289_100000185759 [1,0,0,0,0,0|1,0,1]=3 164 B12R1.21 CC(O)C=Cc1ccc(cn1)O 271570a_200011019289_100000685995 [1,0,0,0,0,0|2,0,1]=4 165 B12R1.21 Cc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000716854_200025704644 [1,0,0,0,0,0|2,0,0]=3 166 B12R1.21 Cc1ccc(cc1)C=CC(C)O 271570a_200011019289_100000186775 [1,0,0,0,0,0|2,0,1]=4 167 B12R1.21 NC(=O)CCc1ccc(cc1)O 271570a_203496583355_200010110666 [1,0,0,0,0,0|1,0,2]=4 168 B12R1.21 NC(=O)CNc1ccc(cc1)O 34a_100000185829_100000187820 [1,0,0,0,0,0|2,0,1]=4 169 B12R1.21 NC(=O)CSc1ccc(cc1)O 271570a_203496583355_100000149456 [1,0,0,0,0,0|2,0,1]=4 170 B12R1.21 NC(=O)CSc1ccc(cc1)O 62a_100000747473_100000185759 [1,0,0,0,0,0|2,0,1]=4 171 B12R1.21 O=C([O-])CNc1ccc(cc1)O 34a_100000185829_100020667443 [1,0,0,0,0,0|1,0,2]=4 172 B12R1.21 O=C([O-])CSc1ccc(cc1)O 62a_100020667443_100000185759 [1,0,0,0,0,0|1,0,2]=4 173 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200025704644 [1,0,0,0,0,0|2,0,0]=3 174 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200025704644 [1,0,0,0,0,0|2,0,0]=3 175 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200025704644 [1,0,0,0,0,0|2,0,0]=3 176 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200025704644 [1,0,0,0,0,0|2,0,0]=3 177 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cn1)F 1458a_100020630499_200025704644 [1,0,0,0,0,0|3,0,0]=4 178 B12R1.21 [13CH3]C(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_200025704644 [1,0,0,0,0,0|3,0,0]=4 179 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)O 1458a_100000742835_200025704644 [1,0,0,0,0,0|1,0,2]=4 180 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)O 1458a_100000031633_200025704644 [1,0,0,0,0,0|2,0,1]=4 181 B12R1.69 C=CCNc1ccc(cc1O)O 34a_100000106777_100015514636 [1,0,0,0,0,0|2,0,1]=4 182 B12R1.69 C=CCSc1ccc(cc1O)O 62a_100000210623_100009813921 [1,0,0,0,0,0|2,0,1]=4 183 B12R1.69 Cc1cc(ccc1NCC=O)O 34a_100000756630_200009817547 [1,0,0,0,0,0|2,0,1]=4 184 B12R1.69 Cc1cc(ccc1SCC=O)O 62a_200015260668_100000690111 [1,0,0,0,0,0|2,0,1]=4 185 B12R1.69 Cc1ccc(c(c1)O)NCC=O 34a_100000211527_200009817547 [1,0,0,0,0,0|2,0,1]=4 186 B12R1.69 Cc1ccc(c(c1)O)SCC=O 62a_100012002257_200015260668 [1,0,0,0,0,0|2,0,1]=4 187 B12R1.69 Cc1ccc(c(c1)O)SCC=O 62a_200015260668_100012002257 [1,0,0,0,0,0|2,0,1]=4 188 B12R1.69 Nc1cc(ccc1SCC=O)O 62a_100011999798_200015260668 [1,0,0,0,0,0|2,0,1]=4 189 B12R1.69 Nc1cc(ccc1SCC=O)O 62a_200015260668_100011999798 [1,0,0,0,0,0|2,0,1]=4 190 B12R1.69 O=CCNc1ccc(cc1Br)O 34a_100012001276_200009817547 [1,0,0,0,0,0|2,0,1]=4 191 B12R1.69 O=CCNc1ccc(cc1Cl)O 34a_100011215599_200009817547 [1,0,0,0,0,0|2,0,1]=4 192 B12R1.69 O=CCNc1ccc(cc1F)O 34a_100000759473_200009817547 [1,0,0,0,0,0|2,0,1]=4 193 B12R1.69 O=CCNc1ccc(cc1I)O 34a_100010084370_200009817547 [1,0,0,0,0,0|2,0,1]=4 194 B12R1.69 O=CCNc1ccc(cc1O)Br 34a_100000739049_200009817547 [1,0,0,0,0,0|2,0,1]=4 195 B12R1.69 O=CCNc1ccc(cc1O)Cl 34a_100000185728_200009817547 [1,0,0,0,0,0|2,0,1]=4 196 B12R1.69 O=CCNc1ccc(cc1O)F 34a_100000753323_200009817547 [1,0,0,0,0,0|2,0,1]=4 197 B12R1.69 O=CCNc1ccc(cc1O)O 34a_100000106777_200009817547 [1,0,0,0,0,0|1,0,1]=3 198 B12R1.69 O=CCSc1ccc(cc1Br)O 62a_100000701344_200015260668 [1,0,0,0,0,0|2,0,1]=4 199 B12R1.69 O=CCSc1ccc(cc1Br)O 62a_200015260668_100000701344 [1,0,0,0,0,0|2,0,1]=4 200 B12R1.69 O=CCSc1ccc(cc1Cl)O 62a_100000047559_200015260668 [1,0,0,0,0,0|2,0,1]=4 201 B12R1.69 O=CCSc1ccc(cc1Cl)O 62a_200015260668_100000047559 [1,0,0,0,0,0|2,0,1]=4 202 B12R1.69 O=CCSc1ccc(cc1F)O 62a_100000755031_200015260668 [1,0,0,0,0,0|2,0,1]=4 203 B12R1.69 O=CCSc1ccc(cc1F)O 62a_200015260668_100000755031 [1,0,0,0,0,0|2,0,1]=4 204 B12R1.69 O=CCSc1ccc(cc1O)Br 62a_100012344904_200015260668 [1,0,0,0,0,0|2,0,1]=4 205 B12R1.69 O=CCSc1ccc(cc1O)Br 62a_200015260668_100012344904 [1,0,0,0,0,0|2,0,1]=4 206 B12R1.69 O=CCSc1ccc(cc1O)Cl 62a_100000050036_200015260668 [1,0,0,0,0,0|2,0,1]=4 207 B12R1.69 O=CCSc1ccc(cc1O)Cl 62a_200015260668_100000050036 [1,0,0,0,0,0|2,0,1]=4 208 B12R1.69 O=CCSc1ccc(cc1O)F 62a_100000690578_200015260668 [1,0,0,0,0,0|2,0,1]=4 209 B12R1.69 O=CCSc1ccc(cc1O)F 62a_200015260668_100000690578 [1,0,0,0,0,0|2,0,1]=4 210 B12R1.69 O=CCSc1ccc(cc1O)O 62a_200015260668_100009813921 [1,0,0,0,0,0|1,0,1]=3 211 B12R1.69 OCCNc1ccc(cc1O)O 34a_100000106777_100000211926 [1,0,0,0,0,0|1,0,2]=4 212 B12R1.69 OCCSc1ccc(cc1O)O 62a_100000211926_100009813921 [1,0,0,0,0,0|1,0,2]=4 213 B12R1.125 CC(=O)C=Cc1ccccc1Br 1458a_100000719032_200000210301 [1,0,0,0,0,0|2,0,0]=3 214 B12R1.125 CC(=O)C=Cc1ccccc1Cl 1458a_100000720304_200000210301 [1,0,0,0,0,0|2,0,0]=3 215 B12R1.125 CC(=O)C=Cc1ccccc1F 1458a_100016256065_200000210301 [1,0,0,0,0,0|2,0,0]=3 216 B12R1.125 CC(=O)C=Cc1ccccc1O 1458a_100016263591_200000210301 [1,0,0,0,0,0|1,0,0]=2 217 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000070787_100000722297 [1,0,0,0,0,0|1,0,2]=4 218 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000181328_200000210301 [1,0,0,0,0,0|1,0,2]=4 219 B12R1.125 CC(=O)COc1ccccc1O 1458a_100000183020_200000210301 [1,0,0,0,0,0|2,0,1]=4 220 B12R1.125 CC(=O)CSc1ccccc1O 1458a_100000695322_200000210301 [1,0,0,0,0,0|2,0,1]=4 221 B12R1.125 CC(=O)NCc1ccccc1O 240690a_100000185550_100015343762 [1,0,0,0,0,0|2,0,1]=4 222 B12R1.125 CC(=O)NCc1ccccc1O 271570a_203496583355_100011237613 [1,0,0,0,0,0|2,0,1]=4 223 B12R1.125 CC(=O)NCc1ccccc1O 527a_100000185550_100103153847 [1,0,0,0,0,0|2,0,1]=4 224 B12R1.125 CC(C)C=Cc1ccccc1O 271570a_100016257149_100000739446 [1,0,0,0,0,0|2,0,1]=4 225 B12R1.125 CC(O)C=Cc1ccccc1Br 271570a_200011019289_100000695589 [1,0,0,0,0,0|2,0,1]=4 226 B12R1.125 CC(O)C=Cc1ccccc1Cl 271570a_200011019289_100000764095 [1,0,0,0,0,0|2,0,1]=4 227 B12R1.125 CC(O)C=Cc1ccccc1F 271570a_200011019289_100011215700 [1,0,0,0,0,0|2,0,1]=4 228 B12R1.125 CC(O)C=Cc1ccccc1N 271570a_200011019289_100000210017 [1,0,0,0,0,0|2,0,1]=4 229 B12R1.125 CC(O)C=Cc1ccccc1O 271570a_200011019289_100000739446 [1,0,0,0,0,0|1,0,1]=3 230 B12R1.125 CC(O)C=Cc1ccncc1O 271570a_200011019289_100009817591 [1,0,0,0,0,0|2,0,1]=4 231 B12R1.125 CC(O)C=Cc1ncccc1O 271570a_200011019289_100000034122 [1,0,0,0,0,0|2,0,1]=4 232 B12R1.125 Cc1ccccc1C=CC(C)O 271570a_200011019289_100000210755 [1,0,0,0,0,0|2,0,1]=4 233 B12R1.125 NC(=O)CCc1ccccc1O 271570a_203496583355_100009814947 [1,0,0,0,0,0|1,0,2]=4 234 B12R1.125 NC(=O)CNc1ccccc1O 34a_100000185747_100000187820 [1,0,0,0,0,0|2,0,1]=4 235 B12R1.125 NC(=O)COc1ccccc1O 271570a_203496583355_200000148491 [1,0,0,0,0,0|2,0,1]=4 236 B12R1.125 NC(=O)CSc1ccccc1O 62a_100000739446_100000747473 [1,0,0,0,0,0|2,0,1]=4 237 B12R1.125 NC(=O)CSc1ccccc1O 62a_100000747473_100000739446 [1,0,0,0,0,0|2,0,1]=4 238 B12R1.125 O=C([O-])CNc1ccccc1O 34a_100000185747_100020667443 [1,0,0,0,0,0|1,0,2]=4 239 B12R1.125 O=C([O-])CSc1ccccc1O 62a_100000739446_100020667443 [1,0,0,0,0,0|1,0,2]=4 240 B12R1.125 O=C([O-])CSc1ccccc1O 62a_100020667443_100000739446 [1,0,0,0,0,0|1,0,2]=4 241 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1Br 1458a_100000719032_200025704644 [1,0,0,0,0,0|2,0,0]=3 242 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1Cl 1458a_100000720304_200025704644 [1,0,0,0,0,0|2,0,0]=3 243 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1F 1458a_100016256065_200025704644 [1,0,0,0,0,0|2,0,0]=3 244 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1O 1458a_100016263591_200025704644 [1,0,0,0,0,0|1,0,0]=2 245 B12R1.125 [13CH3]C(=O)CCc1ccccc1O 1458a_100000181328_200025704644 [1,0,0,0,0,0|1,0,2]=4 246 B12R1.125 [13CH3]C(=O)COc1ccccc1O 1458a_100000183020_200025704644 [1,0,0,0,0,0|2,0,1]=4 247 B12R1.125 [13CH3]C(=O)CSc1ccccc1O 1458a_100000695322_200025704644 [1,0,0,0,0,0|2,0,1]=4 248 B14R1.103 CC(C)C=Cc1ccc(cc1O)CO 271570a_100016257149_100000049605 [0,1,0,0,0,0|2,0,1]=4 249 B14R1.103 CC(O)C=Cc1ccc(cc1Cl)CO 271570a_200011019289_100000718186 [0,1,0,0,0,0|2,0,1]=4 250 B14R1.103 CC(O)C=Cc1ccc(cc1F)CO 271570a_200011019289_100011533735 [0,1,0,0,0,0|2,0,1]=4 251 B14R1.103 CC(O)C=Cc1ccc(cc1N)CO 271570a_200011019289_100012347568 [0,1,0,0,0,0|2,0,1]=4 252 B14R1.103 CC(O)C=Cc1ccc(cc1O)C#N 271570a_200011019289_100000724445 [0,1,0,0,0,0|2,0,1]=4 253 B14R1.103 CC(O)C=Cc1ccc(cc1O)C=O 271570a_200011019289_100000041418 [0,1,0,0,0,0|1,0,2]=4 254 B14R1.103 CC(O)C=Cc1ccc(cc1O)CO 271570a_200011019289_100000049605 [0,1,0,0,0,0|1,0,1]=3 255 B14R1.103 COc1cc(c(cn1)C=CC(C)O)O 271570a_200011019289_100010738159 [0,1,0,0,0,0|2,0,1]=4 256 B14R1.103 COc1ccc(c(c1)Br)C=CC(C)O 271570a_200011019289_100012349170 [0,1,0,0,0,0|2,0,1]=4 257 B14R1.103 COc1ccc(c(c1)C)C=CC(C)O 271570a_200011019289_100000759875 [0,1,0,0,0,0|2,0,1]=4 258 B14R1.103 COc1ccc(c(c1)F)C=CC(=O)C 1458a_200102525171_200000210301 [0,1,0,0,0,0|2,0,0]=3 259 B14R1.103 COc1ccc(c(c1)F)C=CC(=O)[13CH3] 1458a_200102525171_200025704644 [0,1,0,0,0,0|2,0,0]=3 260 B14R1.103 COc1ccc(c(c1)F)C=CC(C)O 271570a_200011019289_100000753793 [0,1,0,0,0,0|2,0,1]=4 261 B14R1.103 COc1ccc(c(c1)N)C=CC(C)O 271570a_200011019289_100000748021 [0,1,0,0,0,0|2,0,1]=4 262 B14R1.103 COc1ccc(c(c1)O)C=CC(C)C 271570a_100016257149_100000719091 [0,1,0,0,0,0|2,0,1]=4 263 B14R1.103 COc1ccc(c(c1)O)C=CC(C)O 271570a_200011019289_100000719091 [0,1,0,0,0,0|1,0,1]=3 264 B14R1.103 COc1ccc(c(c1)O)NCC(=O)N 34a_100016989039_100000187820 [0,1,0,0,0,0|2,0,1]=4 265 B14R1.103 COc1ccc(c(c1)O)NCC(=O)[O-] 34a_100016989039_100020667443 [0,1,0,0,0,0|1,0,2]=4 266 B14R1.103 COc1ccc(c(c1)O)SCC(=O)N 62a_100000747473_100000719091 [0,1,0,0,0,0|2,0,1]=4 267 B14R1.103 COc1ccc(c(c1)O)SCC(=O)[O-] 62a_100020667443_100000719091 [0,1,0,0,0,0|1,0,2]=4 268 B14R1.103 Cc1cc(ccc1C=CC(C)O)CO 271570a_200011019289_100000718852 [0,1,0,0,0,0|2,0,1]=4 269 B14R1.103 NC(=O)CSc1ccc(cc1O)CO 62a_100000049605_100000747473 [0,1,0,0,0,0|2,0,1]=4 270 B14R1.103 NC(=O)CSc1ccc(cc1O)CO 62a_100000747473_100000049605 [0,1,0,0,0,0|2,0,1]=4 271 B14R1.103 O=C([O-])CSc1ccc(cc1O)CO 62a_100000049605_100020667443 [0,1,0,0,0,0|1,0,2]=4 272 B14R1.103 O=C([O-])CSc1ccc(cc1O)CO 62a_100020667443_100000049605 [0,1,0,0,0,0|1,0,2]=4 273 B14R1.727 CCC(=O)C=Cc1ccc(cc1Br)F 1458a_200102591336_100000210202 [0,1,0,0,0,0|3,0,0]=4 274 B14R1.727 CCC(=O)C=Cc1ccc(cc1Br)I 6a_100010185650_100000211110 [0,1,0,0,0,0|3,0,0]=4 275 B14R1.727 CCC(=O)C=Cc1ccc(cc1Cl)Br 1458a_100102525105_100000210202 [0,1,0,0,0,0|3,0,0]=4 276 B14R1.727 CCC(=O)C=Cc1ccc(cc1Cl)Cl 1458a_100016270030_100000210202 [0,1,0,0,0,0|3,0,0]=4 277 B14R1.727 CCC(=O)C=Cc1ccc(cc1Cl)F 1458a_200102525072_100000210202 [0,1,0,0,0,0|3,0,0]=4 278 B14R1.727 CCC(=O)C=Cc1ccc(cc1Cl)I 6a_100000727542_100000211110 [0,1,0,0,0,0|3,0,0]=4 279 B14R1.727 CCC(=O)C=Cc1ccc(cc1F)Br 1458a_100011214948_100000210202 [0,1,0,0,0,0|3,0,0]=4 280 B14R1.727 CCC(=O)C=Cc1ccc(cc1F)Br 6a_100000211676_100000211110 [0,1,0,0,0,0|3,0,0]=4 281 B14R1.727 CCC(=O)C=Cc1ccc(cc1F)C 6a_100011217368_100000211110 [0,1,0,0,0,0|3,0,0]=4 282 B14R1.727 CCC(=O)C=Cc1ccc(cc1F)Cl 1458a_100102561868_100000210202 [0,1,0,0,0,0|3,0,0]=4 283 B14R1.727 CCC(=O)C=Cc1ccc(cc1F)F 1458a_100011195072_100000210202 [0,1,0,0,0,0|3,0,0]=4 284 B14R1.727 CCC(=O)C=Cc1ccc(cc1F)F 6a_100000211964_100000211110 [0,1,0,0,0,0|3,0,0]=4 285 B14R1.727 CCC(=O)C=Cc1ccc(cc1F)I 6a_100000050965_100000211110 [0,1,0,0,0,0|3,0,0]=4 286 B14R1.727 CCC(=O)C=Cc1ccc(cc1I)Br 6a_100010146562_100000211110 [0,1,0,0,0,0|3,0,0]=4 287 B14R1.727 CCC(=O)C=Cc1ccc(cc1I)C 6a_100010150104_100000211110 [0,1,0,0,0,0|3,0,0]=4 288 B14R1.727 CCC(=O)C=Cc1ccc(cc1I)F 6a_100010254405_100000211110 [0,1,0,0,0,0|3,0,0]=4 289 B14R1.727 CCC(=O)C=Cc1ccc(cc1I)O 6a_100000051608_100000211110 [0,1,0,0,0,0|2,0,0]=3 290 B14R1.727 CCC(=O)C=Cc1ccc(cc1O)I 6a_100000050530_100000211110 [0,1,0,0,0,0|2,0,0]=3 291 B14R1.727 CCC(=O)CCc1ccc(cc1O)O 1458a_100000041388_100000210202 [0,1,0,0,0,0|1,0,2]=4 292 B14R1.727 CCC(=O)CSc1ccc(cc1O)O 62a_100000747405_100009813921 [0,1,0,0,0,0|2,0,1]=4 293 B14R1.727 CNC(=O)C=Cc1ccc(cc1Br)F 11a_106832991635_200102591336 [0,1,0,0,0,0|3,0,0]=4 294 B14R1.727 CNC(=O)C=Cc1ccc(cc1Br)F 1626a_100102657272_200102591336 [0,1,0,0,0,0|3,0,0]=4 295 B14R1.727 CNC(=O)C=Cc1ccc(cc1Br)F 240690a_100102657272_200102591336 [0,1,0,0,0,0|3,0,0]=4 296 B14R1.727 CNC(=O)C=Cc1ccc(cc1C)C 11a_106832991635_100000238256 [0,1,0,0,0,0|3,0,0]=4 297 B14R1.727 CNC(=O)C=Cc1ccc(cc1C)C 1626a_100102657272_100000238256 [0,1,0,0,0,0|3,0,0]=4 298 B14R1.727 CNC(=O)C=Cc1ccc(cc1C)F 11a_106832991635_100016280397 [0,1,0,0,0,0|3,0,0]=4 299 B14R1.727 CNC(=O)C=Cc1ccc(cc1C)F 1626a_100102657272_100016280397 [0,1,0,0,0,0|3,0,0]=4 300 B14R1.727 CNC(=O)C=Cc1ccc(cc1Cl)Br 11a_106832991635_100102525105 [0,1,0,0,0,0|3,0,0]=4 301 B14R1.727 CNC(=O)C=Cc1ccc(cc1Cl)Br 1626a_100102657272_100102525105 [0,1,0,0,0,0|3,0,0]=4 302 B14R1.727 CNC(=O)C=Cc1ccc(cc1Cl)Br 240690a_100102657272_100102525105 [0,1,0,0,0,0|3,0,0]=4 303 B14R1.727 CNC(=O)C=Cc1ccc(cc1Cl)Cl 11a_106832991635_100016270030 [0,1,0,0,0,0|3,0,0]=4 304 B14R1.727 CNC(=O)C=Cc1ccc(cc1Cl)Cl 1626a_100102657272_100016270030 [0,1,0,0,0,0|3,0,0]=4 305 B14R1.727 CNC(=O)C=Cc1ccc(cc1Cl)Cl 240690a_100102657272_100016270030 [0,1,0,0,0,0|3,0,0]=4 306 B14R1.727 CNC(=O)C=Cc1ccc(cc1Cl)F 11a_106832991635_200102525072 [0,1,0,0,0,0|3,0,0]=4 307 B14R1.727 CNC(=O)C=Cc1ccc(cc1Cl)F 1626a_100102657272_200102525072 [0,1,0,0,0,0|3,0,0]=4 308 B14R1.727 CNC(=O)C=Cc1ccc(cc1Cl)F 240690a_100102657272_200102525072 [0,1,0,0,0,0|3,0,0]=4 309 B14R1.727 CNC(=O)C=Cc1ccc(cc1F)Br 11a_106832991635_100011214948 [0,1,0,0,0,0|3,0,0]=4 310 B14R1.727 CNC(=O)C=Cc1ccc(cc1F)Br 1626a_100102657272_100011214948 [0,1,0,0,0,0|3,0,0]=4 311 B14R1.727 CNC(=O)C=Cc1ccc(cc1F)Br 240690a_100102657272_100011214948 [0,1,0,0,0,0|3,0,0]=4 312 B14R1.727 CNC(=O)C=Cc1ccc(cc1F)Cl 11a_106832991635_100102561868 [0,1,0,0,0,0|3,0,0]=4 313 B14R1.727 CNC(=O)C=Cc1ccc(cc1F)Cl 1626a_100102657272_100102561868 [0,1,0,0,0,0|3,0,0]=4 314 B14R1.727 CNC(=O)C=Cc1ccc(cc1F)Cl 240690a_100102657272_100102561868 [0,1,0,0,0,0|3,0,0]=4 315 B14R1.727 CNC(=O)C=Cc1ccc(cc1F)F 11a_106832991635_100011195072 [0,1,0,0,0,0|3,0,0]=4 316 B14R1.727 CNC(=O)C=Cc1ccc(cc1F)F 1626a_100102657272_100011195072 [0,1,0,0,0,0|3,0,0]=4 317 B14R1.727 CNC(=O)C=Cc1ccc(cc1F)F 240690a_100102657272_100011195072 [0,1,0,0,0,0|3,0,0]=4 318 B14R1.727 CNC(=O)CCc1ccc(cc1O)O 240690a_100102657272_100000041388 [0,1,0,0,0,0|1,0,2]=4 319 B14R1.727 CNC(=O)CCc1ccc(cc1O)O 527a_100102657272_100000041388 [0,1,0,0,0,0|1,0,2]=4 320 B14R1.727 CNC(=O)CNc1ccc(cc1O)O 34a_100000106777_100000183359 [0,1,0,0,0,0|2,0,1]=4 321 B14R1.727 CNC(=O)CSc1ccc(cc1O)O 62a_100000183359_100009813921 [0,1,0,0,0,0|2,0,1]=4 322 B14R1.727 COC(=O)/C=C/c1ccc(cc1F)O 271570a_203496583355_100102763825 [0,1,0,0,0,0|1,0,0]=2 323 B14R1.727 COC(=O)CNc1ccc(cc1Br)O 34a_100012001276_100000747449 [0,1,0,0,0,0|2,0,1]=4 324 B14R1.727 COC(=O)CNc1ccc(cc1C)O 34a_100000756630_100000747449 [0,1,0,0,0,0|2,0,1]=4 325 B14R1.727 COC(=O)CNc1ccc(cc1Cl)O 34a_100011215599_100000747449 [0,1,0,0,0,0|2,0,1]=4 326 B14R1.727 COC(=O)CNc1ccc(cc1F)O 34a_100000759473_100000747449 [0,1,0,0,0,0|2,0,1]=4 327 B14R1.727 COC(=O)CNc1ccc(cc1I)O 34a_100010084370_100000747449 [0,1,0,0,0,0|2,0,1]=4 328 B14R1.727 COC(=O)CNc1ccc(cc1O)Br 34a_100000739049_100000747449 [0,1,0,0,0,0|2,0,1]=4 329 B14R1.727 COC(=O)CNc1ccc(cc1O)C 34a_100000211527_100000747449 [0,1,0,0,0,0|2,0,1]=4 330 B14R1.727 COC(=O)CNc1ccc(cc1O)Cl 34a_100000185728_100000747449 [0,1,0,0,0,0|2,0,1]=4 331 B14R1.727 COC(=O)CNc1ccc(cc1O)F 34a_100000753323_100000747449 [0,1,0,0,0,0|2,0,1]=4 332 B14R1.727 COC(=O)CNc1ccc(cc1O)O 34a_100000106777_100000747449 [0,1,0,0,0,0|1,0,1]=3 333 B14R1.727 COC(=O)COc1ccc(cc1O)F 271570a_203496583355_200000151491 [0,1,0,0,0,0|2,0,1]=4 334 B14R1.727 COC(=O)CSc1ccc(cc1Br)O 62a_100000701344_100000747449 [0,1,0,0,0,0|2,0,1]=4 335 B14R1.727 COC(=O)CSc1ccc(cc1Br)O 62a_100000747449_100000701344 [0,1,0,0,0,0|2,0,1]=4 336 B14R1.727 COC(=O)CSc1ccc(cc1C)O 62a_100000747449_100000690111 [0,1,0,0,0,0|2,0,1]=4 337 B14R1.727 COC(=O)CSc1ccc(cc1Cl)O 62a_100000047559_100000747449 [0,1,0,0,0,0|2,0,1]=4 338 B14R1.727 COC(=O)CSc1ccc(cc1Cl)O 62a_100000747449_100000047559 [0,1,0,0,0,0|2,0,1]=4 339 B14R1.727 COC(=O)CSc1ccc(cc1F)O 62a_100000747449_100000755031 [0,1,0,0,0,0|2,0,1]=4 340 B14R1.727 COC(=O)CSc1ccc(cc1F)O 62a_100000755031_100000747449 [0,1,0,0,0,0|2,0,1]=4 341 B14R1.727 COC(=O)CSc1ccc(cc1N)O 62a_100000747449_100011999798 [0,1,0,0,0,0|2,0,1]=4 342 B14R1.727 COC(=O)CSc1ccc(cc1N)O 62a_100011999798_100000747449 [0,1,0,0,0,0|2,0,1]=4 343 B14R1.727 COC(=O)CSc1ccc(cc1O)Br 62a_100000747449_100012344904 [0,1,0,0,0,0|2,0,1]=4 344 B14R1.727 COC(=O)CSc1ccc(cc1O)Br 62a_100012344904_100000747449 [0,1,0,0,0,0|2,0,1]=4 345 B14R1.727 COC(=O)CSc1ccc(cc1O)C 62a_100000747449_100012002257 [0,1,0,0,0,0|2,0,1]=4 346 B14R1.727 COC(=O)CSc1ccc(cc1O)C 62a_100012002257_100000747449 [0,1,0,0,0,0|2,0,1]=4 347 B14R1.727 COC(=O)CSc1ccc(cc1O)Cl 62a_100000050036_100000747449 [0,1,0,0,0,0|2,0,1]=4 348 B14R1.727 COC(=O)CSc1ccc(cc1O)Cl 62a_100000747449_100000050036 [0,1,0,0,0,0|2,0,1]=4 349 B14R1.727 COC(=O)CSc1ccc(cc1O)F 62a_100000690578_100000747449 [0,1,0,0,0,0|2,0,1]=4 350 B14R1.727 COC(=O)CSc1ccc(cc1O)F 62a_100000747449_100000690578 [0,1,0,0,0,0|2,0,1]=4 351 B14R1.727 COC(=O)CSc1ccc(cc1O)O 62a_100000747449_100009813921 [0,1,0,0,0,0|1,0,1]=3 352 B14R1.727 Cc1ccc(c(c1)F)C=CC(=O)CBr 6a_100011217368_100009888967 [0,1,0,0,0,0|3,0,0]=4 353 B14R1.727 Cc1ccc(c(c1)F)C=CC(=O)CCl 6a_100011217368_100000086384 [0,1,0,0,0,0|3,0,0]=4 354 B14R1.727 Cc1ccc(c(c1)F)C=CC(=O)CF 6a_100011217368_100000764096 [0,1,0,0,0,0|3,0,0]=4 355 B14R1.727 Cc1ccc(c(c1)I)C=CC(=O)CBr 6a_100010150104_100009888967 [0,1,0,0,0,0|3,0,0]=4 356 B14R1.727 Cc1ccc(c(c1)I)C=CC(=O)CCl 6a_100010150104_100000086384 [0,1,0,0,0,0|3,0,0]=4 357 B14R1.727 Cc1ccc(c(c1)I)C=CC(=O)CF 6a_100010150104_100000764096 [0,1,0,0,0,0|3,0,0]=4 358 B14R1.727 O=C(C=Cc1ccc(cc1Br)F)CF 1458a_200102591336_100015361967 [0,1,0,0,0,0|3,0,0]=4 359 B14R1.727 O=C(C=Cc1ccc(cc1Br)I)CBr 6a_100010185650_100009888967 [0,1,0,0,0,0|3,0,0]=4 360 B14R1.727 O=C(C=Cc1ccc(cc1Br)I)CCl 6a_100010185650_100000086384 [0,1,0,0,0,0|3,0,0]=4 361 B14R1.727 O=C(C=Cc1ccc(cc1Br)I)CF 6a_100010185650_100000764096 [0,1,0,0,0,0|3,0,0]=4 362 B14R1.727 O=C(C=Cc1ccc(cc1Cl)Br)CF 1458a_100102525105_100015361967 [0,1,0,0,0,0|3,0,0]=4 363 B14R1.727 O=C(C=Cc1ccc(cc1Cl)Cl)CF 1458a_100016270030_100015361967 [0,1,0,0,0,0|3,0,0]=4 364 B14R1.727 O=C(C=Cc1ccc(cc1Cl)F)CF 1458a_200102525072_100015361967 [0,1,0,0,0,0|3,0,0]=4 365 B14R1.727 O=C(C=Cc1ccc(cc1Cl)I)CBr 6a_100000727542_100009888967 [0,1,0,0,0,0|3,0,0]=4 366 B14R1.727 O=C(C=Cc1ccc(cc1Cl)I)CCl 6a_100000727542_100000086384 [0,1,0,0,0,0|3,0,0]=4 367 B14R1.727 O=C(C=Cc1ccc(cc1Cl)I)CF 6a_100000727542_100000764096 [0,1,0,0,0,0|3,0,0]=4 368 B14R1.727 O=C(C=Cc1ccc(cc1F)Br)CBr 6a_100000211676_100009888967 [0,1,0,0,0,0|3,0,0]=4 369 B14R1.727 O=C(C=Cc1ccc(cc1F)Br)CCl 6a_100000211676_100000086384 [0,1,0,0,0,0|3,0,0]=4 370 B14R1.727 O=C(C=Cc1ccc(cc1F)Br)CF 1458a_100011214948_100015361967 [0,1,0,0,0,0|3,0,0]=4 371 B14R1.727 O=C(C=Cc1ccc(cc1F)Br)CF 6a_100000211676_100000764096 [0,1,0,0,0,0|3,0,0]=4 372 B14R1.727 O=C(C=Cc1ccc(cc1F)Cl)CF 1458a_100102561868_100015361967 [0,1,0,0,0,0|3,0,0]=4 373 B14R1.727 O=C(C=Cc1ccc(cc1F)F)CBr 6a_100000211964_100009888967 [0,1,0,0,0,0|3,0,0]=4 374 B14R1.727 O=C(C=Cc1ccc(cc1F)F)CCl 6a_100000211964_100000086384 [0,1,0,0,0,0|3,0,0]=4 375 B14R1.727 O=C(C=Cc1ccc(cc1F)F)CF 1458a_100011195072_100015361967 [0,1,0,0,0,0|3,0,0]=4 376 B14R1.727 O=C(C=Cc1ccc(cc1F)F)CF 6a_100000211964_100000764096 [0,1,0,0,0,0|3,0,0]=4 377 B14R1.727 O=C(C=Cc1ccc(cc1F)I)CBr 6a_100000050965_100009888967 [0,1,0,0,0,0|3,0,0]=4 378 B14R1.727 O=C(C=Cc1ccc(cc1F)I)CCl 6a_100000050965_100000086384 [0,1,0,0,0,0|3,0,0]=4 379 B14R1.727 O=C(C=Cc1ccc(cc1F)I)CF 6a_100000050965_100000764096 [0,1,0,0,0,0|3,0,0]=4 380 B14R1.727 O=C(C=Cc1ccc(cc1I)Br)CBr 6a_100010146562_100009888967 [0,1,0,0,0,0|3,0,0]=4 381 B14R1.727 O=C(C=Cc1ccc(cc1I)Br)CCl 6a_100010146562_100000086384 [0,1,0,0,0,0|3,0,0]=4 382 B14R1.727 O=C(C=Cc1ccc(cc1I)Br)CF 6a_100010146562_100000764096 [0,1,0,0,0,0|3,0,0]=4 383 B14R1.727 O=C(C=Cc1ccc(cc1I)F)CBr 6a_100010254405_100009888967 [0,1,0,0,0,0|3,0,0]=4 384 B14R1.727 O=C(C=Cc1ccc(cc1I)F)CCl 6a_100010254405_100000086384 [0,1,0,0,0,0|3,0,0]=4 385 B14R1.727 O=C(C=Cc1ccc(cc1I)F)CF 6a_100010254405_100000764096 [0,1,0,0,0,0|3,0,0]=4 386 B14R1.727 O=C(C=Cc1ccc(cc1I)O)CBr 6a_100000051608_100009888967 [0,1,0,0,0,0|2,0,0]=3 387 B14R1.727 O=C(C=Cc1ccc(cc1I)O)CCl 6a_100000051608_100000086384 [0,1,0,0,0,0|2,0,0]=3 388 B14R1.727 O=C(C=Cc1ccc(cc1I)O)CF 6a_100000051608_100000764096 [0,1,0,0,0,0|2,0,0]=3 389 B14R1.727 O=C(C=Cc1ccc(cc1O)I)CBr 6a_100000050530_100009888967 [0,1,0,0,0,0|2,0,0]=3 390 B14R1.727 O=C(C=Cc1ccc(cc1O)I)CCl 6a_100000050530_100000086384 [0,1,0,0,0,0|2,0,0]=3 391 B14R1.727 O=C(C=Cc1ccc(cc1O)I)CF 6a_100000050530_100000764096 [0,1,0,0,0,0|2,0,0]=3 392 B14R1.727 O=C(CF)CCc1ccc(cc1O)O 1458a_100000041388_100015361967 [0,1,0,0,0,0|1,0,2]=4 393 B14R1.727 O=C(CO)NCc1ccc(cc1Cl)O 240690a_200161156549_100000210174 [0,1,0,0,0,0|2,0,1]=4 394 B14R1.727 O=C(CO)NCc1ccc(cc1Cl)O 527a_200161156549_100000210174 [0,1,0,0,0,0|2,0,1]=4 395 B14R1.1600 CC(C)C=Cc1ccc(cc1CO)O 271570a_100016257149_100012351483 [0,1,0,0,0,0|2,0,1]=4 396 B14R1.1600 CC(O)C=Cc1ccc(cc1C#N)O 271570a_200011019289_100009818209 [0,1,0,0,0,0|2,0,1]=4 397 B14R1.1600 CC(O)C=Cc1ccc(cc1C=O)O 271570a_200011019289_100000690577 [0,1,0,0,0,0|1,0,2]=4 398 B14R1.1600 CC(O)C=Cc1ccc(cc1CO)Br 271570a_200011019289_100011356890 [0,1,0,0,0,0|2,0,1]=4 399 B14R1.1600 CC(O)C=Cc1ccc(cc1CO)F 271570a_200011019289_100011217561 [0,1,0,0,0,0|2,0,1]=4 400 B14R1.1600 CC(O)C=Cc1ccc(cc1CO)N 271570a_200011019289_100012347228 [0,1,0,0,0,0|2,0,1]=4 401 B14R1.1600 CC(O)C=Cc1ccc(cc1CO)O 271570a_200011019289_100012351483 [0,1,0,0,0,0|1,0,1]=3 402 B14R1.1600 COc1cc(ccc1C=CC(C)C)O 271570a_100016257149_100011827694 [0,1,0,0,0,0|2,0,1]=4 403 B14R1.1600 COc1cc(ccc1C=CC(C)O)Br 271570a_200011019289_100010245111 [0,1,0,0,0,0|2,0,1]=4 404 B14R1.1600 COc1cc(ccc1C=CC(C)O)C 271570a_200011019289_100010200004 [0,1,0,0,0,0|2,0,1]=4 405 B14R1.1600 COc1cc(ccc1C=CC(C)O)Cl 271570a_200011019289_100000050115 [0,1,0,0,0,0|2,0,1]=4 406 B14R1.1600 COc1cc(ccc1C=CC(C)O)F 271570a_200011019289_100000757151 [0,1,0,0,0,0|2,0,1]=4 407 B14R1.1600 COc1cc(ccc1C=CC(C)O)N 271570a_200011019289_100000765947 [0,1,0,0,0,0|2,0,1]=4 408 B14R1.1600 COc1cc(ccc1C=CC(C)O)O 271570a_200011019289_100011827694 [0,1,0,0,0,0|1,0,1]=3 409 B14R1.1600 COc1cc(ccc1NCC(=O)N)O 34a_100015326901_100000187820 [0,1,0,0,0,0|2,0,1]=4 410 B14R1.1600 COc1cc(ccc1NCC(=O)[O-])O 34a_100015326901_100020667443 [0,1,0,0,0,0|1,0,2]=4 411 B14R1.1600 COc1cc(ccc1SCC(=O)N)O 62a_100000747473_100011827694 [0,1,0,0,0,0|2,0,1]=4 412 B14R1.1600 COc1cc(ccc1SCC(=O)[O-])O 62a_100020667443_100011827694 [0,1,0,0,0,0|1,0,2]=4 413 B14R1.1600 Cc1ccc(c(c1)CO)C=CC(C)O 271570a_200011019289_100012361352 [0,1,0,0,0,0|2,0,1]=4 414 B14R1.1600 NC(=O)CSc1ccc(cc1CO)O 62a_100000747473_100012351483 [0,1,0,0,0,0|2,0,1]=4 415 B14R1.1600 NC(=O)CSc1ccc(cc1CO)O 62a_100012351483_100000747473 [0,1,0,0,0,0|2,0,1]=4 416 B14R1.1600 O=C([O-])CSc1ccc(cc1CO)O 62a_100012351483_100020667443 [0,1,0,0,0,0|1,0,2]=4 417 B14R1.1600 O=C([O-])CSc1ccc(cc1CO)O 62a_100020667443_100012351483 [0,1,0,0,0,0|1,0,2]=4 418 B14R1.3152 CC(=O)C=Cc1c(cc(cc1C)C)C 1458a_100011191989_200000210301 [0,1,0,0,0,0|3,0,0]=4 419 B14R1.3152 CC(=O)C=Cc1c(cc(cc1Cl)O)Cl 1458a_200050542424_200000210301 [0,1,0,0,0,0|2,0,0]=3 420 B14R1.3152 CC(C)C=Cc1c(cc(cc1O)O)O 271570a_100016257149_200010341185 [0,1,0,0,0,0|2,0,1]=4 421 B14R1.3152 CC(O)C=Cc1c(cc(cc1F)F)O 271570a_200011019289_100009815984 [0,1,0,0,0,0|2,0,1]=4 422 B14R1.3152 CC(O)C=Cc1c(cc(cc1F)O)F 271570a_200011019289_100010219129 [0,1,0,0,0,0|2,0,1]=4 423 B14R1.3152 CC(O)C=Cc1c(cc(cc1O)O)O 271570a_200011019289_200010341185 [0,1,0,0,0,0|1,0,1]=3 424 B14R1.3152 Cc1cc(c(c(c1)C)C=CC(=O)[13CH3])C 1458a_100011191989_200025704644 [0,1,0,0,0,0|3,0,0]=4 425 B14R1.3152 Cc1cc(c(c(c1)O)C=CC(C)O)C 271570a_200011019289_100010342985 [0,1,0,0,0,0|2,0,1]=4 426 B14R1.3152 Cc1cc(cc(c1C=CC(C)O)C)O 271570a_200011019289_100000243743 [0,1,0,0,0,0|2,0,1]=4 427 B14R1.3152 Cc1cc(cc(c1C=CC(C)O)O)Cl 271570a_200011019289_100010254216 [0,1,0,0,0,0|2,0,1]=4 428 B14R1.3152 NC(=O)CSc1c(cc(cc1O)O)O 62a_100000747473_200010341185 [0,1,0,0,0,0|2,0,1]=4 429 B14R1.3152 O=C([O-])CSc1c(cc(cc1O)O)O 62a_100020667443_200010341185 [0,1,0,0,0,0|1,0,2]=4 430 B14R1.3152 [13CH3]C(=O)C=Cc1c(cc(cc1Cl)O)Cl 1458a_200050542424_200025704644 [0,1,0,0,0,0|2,0,0]=3 431 B14R1.4463 CC(C)(C)C=Cc1ccc(cc1O)O 271570a_100102527731_100009813921 [0,1,0,0,0,0|2,0,1]=4 432 B14R1.4463 CC(C)(O)C=Cc1ccc(cc1Br)O 271570a_200016258132_100000701344 [0,1,0,0,0,0|2,0,1]=4 433 B14R1.4463 CC(C)(O)C=Cc1ccc(cc1Cl)O 271570a_200016258132_100000047559 [0,1,0,0,0,0|2,0,1]=4 434 B14R1.4463 CC(C)(O)C=Cc1ccc(cc1F)O 271570a_200016258132_100000755031 [0,1,0,0,0,0|2,0,1]=4 435 B14R1.4463 CC(C)(O)C=Cc1ccc(cc1N)O 271570a_200016258132_100011999798 [0,1,0,0,0,0|2,0,1]=4 436 B14R1.4463 CC(C)(O)C=Cc1ccc(cc1O)Br 271570a_200016258132_100012344904 [0,1,0,0,0,0|2,0,1]=4 437 B14R1.4463 CC(C)(O)C=Cc1ccc(cc1O)Cl 271570a_200016258132_100000050036 [0,1,0,0,0,0|2,0,1]=4 438 B14R1.4463 CC(C)(O)C=Cc1ccc(cc1O)F 271570a_200016258132_100000690578 [0,1,0,0,0,0|2,0,1]=4 439 B14R1.4463 CC(C)(O)C=Cc1ccc(cc1O)O 271570a_200016258132_100009813921 [0,1,0,0,0,0|1,0,1]=3 440 B14R1.4463 Cc1cc(ccc1C=CC(C)(C)O)O 271570a_200016258132_100000729255 [0,1,0,0,0,0|2,0,1]=4 441 B14R1.4463 Cc1ccc(c(c1)O)C=CC(C)(C)O 271570a_200016258132_100012002257 [0,1,0,0,0,0|2,0,1]=4 442 B14R1.6036 CC(=O)C=Cc1cc(c(cc1C)C)C 1458a_100000739386_200000210301 [0,1,0,0,0,0|3,0,0]=4 443 B14R1.6036 CC(=O)C=Cc1cc(c(cc1F)F)F 1458a_100102526214_200000210301 [0,1,0,0,0,0|3,0,0]=4 444 B14R1.6036 CC(O)C=Cc1cc(c(cc1Cl)O)N 271570a_200011019289_100011011175 [0,1,0,0,0,0|2,0,1]=4 445 B14R1.6036 CC(O)C=Cc1cc(c(cc1F)O)F 271570a_200011019289_100011830439 [0,1,0,0,0,0|2,0,1]=4 446 B14R1.6036 CC(O)C=Cc1cc(c(cc1F)O)N 271570a_200011019289_100012359894 [0,1,0,0,0,0|2,0,1]=4 447 B14R1.6036 CC(O)C=Cc1cc(c(cc1O)F)F 271570a_200011019289_100009813768 [0,1,0,0,0,0|2,0,1]=4 448 B14R1.6036 Cc1cc(c(cc1C)C=CC(=O)[13CH3])C 1458a_100000739386_200025704644 [0,1,0,0,0,0|3,0,0]=4 449 B14R1.6036 Cc1cc(c(cc1C)C=CC(C)O)O 271570a_200011019289_100009814663 [0,1,0,0,0,0|2,0,1]=4 450 B14R1.6036 Cc1cc(c(cc1C=CC(C)O)F)O 271570a_200011019289_100012355673 [0,1,0,0,0,0|2,0,1]=4 451 B14R1.6036 Cc1cc(c(cc1C=CC(C)O)N)O 271570a_200011019289_200010235796 [0,1,0,0,0,0|2,0,1]=4 452 B14R1.6036 Cc1cc(c(cc1O)C)C=CC(C)O 271570a_200011019289_100000698207 [0,1,0,0,0,0|2,0,1]=4 453 B14R1.6036 [13CH3]C(=O)C=Cc1cc(c(cc1F)F)F 1458a_100102526214_200025704644 [0,1,0,0,0,0|3,0,0]=4 454 B14R1.6048 C=C(C)CC(=O)c1ccc(cc1O)O 1458a_100000212172_100000748629 [0,1,0,0,0,0|2,0,1]=4 455 B14R1.6048 C=C(F)CC(=O)c1ccc(cc1O)O 1458a_100000212172_100009893438 [0,1,0,0,0,0|2,0,1]=4 456 B14R1.6048 CC(=O)CC(=O)c1ccc(cc1O)F 1458a_100000070787_100009817053 [0,1,0,0,0,0|2,0,1]=4 457 B14R1.6048 CC(=O)CC(=O)c1ccc(cc1O)O 1458a_100000070787_100009814262 [0,1,0,0,0,0|1,0,1]=3 458 B14R1.6048 CC(O)CC(=O)c1ccc(cc1O)O 1458a_100000212172_100011218427 [0,1,0,0,0,0|1,0,2]=4 459 B14R1.6048 Cc1cc(ccc1C(=O)CC(=O)N)O 1458a_100000692822_100000187820 [0,1,0,0,0,0|2,0,1]=4 460 B14R1.6048 Cc1cc(ccc1C(=O)CC(=O)[O-])O 1458a_100000692822_100020667443 [0,1,0,0,0,0|1,0,2]=4 461 B14R1.6048 Cc1ccc(c(c1)O)C(=O)CC(=O)N 1458a_100000212137_100000187820 [0,1,0,0,0,0|2,0,1]=4 462 B14R1.6048 Cc1ccc(c(c1)O)C(=O)CC(=O)[O-] 1458a_100000212137_100020667443 [0,1,0,0,0,0|1,0,2]=4 463 B14R1.6048 NC(=O)CC(=O)c1ccc(cc1Br)O 1458a_100012344906_100000187820 [0,1,0,0,0,0|2,0,1]=4 464 B14R1.6048 NC(=O)CC(=O)c1ccc(cc1Cl)O 1458a_100000702456_100000187820 [0,1,0,0,0,0|2,0,1]=4 465 B14R1.6048 NC(=O)CC(=O)c1ccc(cc1F)O 1458a_100000689029_100000187820 [0,1,0,0,0,0|2,0,1]=4 466 B14R1.6048 NC(=O)CC(=O)c1ccc(cc1O)Br 1458a_100000744433_100000187820 [0,1,0,0,0,0|2,0,1]=4 467 B14R1.6048 NC(=O)CC(=O)c1ccc(cc1O)Cl 1458a_100000188622_100000187820 [0,1,0,0,0,0|2,0,1]=4 468 B14R1.6048 NC(=O)CC(=O)c1ccc(cc1O)F 1458a_100000746061_100000187820 [0,1,0,0,0,0|2,0,1]=4 469 B14R1.6048 NC(=O)CC(=O)c1ccc(cc1O)I 1458a_100000091984_100000187820 [0,1,0,0,0,0|2,0,1]=4 470 B14R1.6048 NC(=O)CC(=O)c1ccc(cc1O)O 1458a_100000212172_100000187820 [0,1,0,0,0,0|1,0,1]=3 471 B14R1.6048 O=C(C[N+](=O)[O-])c1ccc(cc1O)O 1458a_100000212172_100000761209 [0,1,0,0,0,0|1,0,2]=4 472 B14R1.6048 O=C([O-])CC(=O)c1ccc(cc1Br)O 1458a_100012344906_100020667443 [0,1,0,0,0,0|1,0,2]=4 473 B14R1.6048 O=C([O-])CC(=O)c1ccc(cc1Cl)O 1458a_100000702456_100020667443 [0,1,0,0,0,0|1,0,2]=4 474 B14R1.6048 O=C([O-])CC(=O)c1ccc(cc1F)O 1458a_100000689029_100020667443 [0,1,0,0,0,0|1,0,2]=4 475 B14R1.6048 O=C([O-])CC(=O)c1ccc(cc1O)Br 1458a_100000744433_100020667443 [0,1,0,0,0,0|1,0,2]=4 476 B14R1.6048 O=C([O-])CC(=O)c1ccc(cc1O)Cl 1458a_100000188622_100020667443 [0,1,0,0,0,0|1,0,2]=4 477 B14R1.6048 O=C([O-])CC(=O)c1ccc(cc1O)F 1458a_100000746061_100020667443 [0,1,0,0,0,0|1,0,2]=4 478 B14R1.6048 O=C([O-])CC(=O)c1ccc(cc1O)I 1458a_100000091984_100020667443 [0,1,0,0,0,0|1,0,2]=4 479 B14R1.6048 O=C([O-])CC(=O)c1ccc(cc1O)O 1458a_100000212172_100020667443 [0,1,0,0,0,0|0,0,2]=3 480 B14R1.6049 C=C(C)C(=O)Nc1ccc(cc1O)O 22a_100000106777_100000185857 [0,1,0,0,0,0|3,0,0]=4 481 B14R1.6049 C=C(Cl)C(=O)Nc1ccc(cc1O)O 22a_100000106777_100000039160 [0,1,0,0,0,0|3,0,0]=4 482 B14R1.6049 C=C(F)C(=O)Nc1ccc(cc1O)O 22a_100000106777_100000036797 [0,1,0,0,0,0|3,0,0]=4 483 B14R1.6049 CC(=O)C(C)Sc1ccc(cc1O)O 62a_100009814033_100009813921 [0,1,0,0,0,0|2,0,1]=4 484 B14R1.6049 CC(Nc1ccc(cc1O)O)C(=O)N 34a_100000106777_100000702099 [0,1,0,0,0,0|2,0,1]=4 485 B14R1.6049 CC(Sc1ccc(cc1O)O)C(=O)N 62a_100000702099_100009813921 [0,1,0,0,0,0|2,0,1]=4 486 B14R1.6049 C[C@@H](O)C(=O)Nc1ccc(cc1O)O 22a_100000106777_100000717761 [0,1,0,0,0,0|2,0,1]=4 487 B14R1.6049 C[C@H](O)C(=O)Nc1ccc(cc1O)O 22a_100000106777_217856618621 [0,1,0,0,0,0|2,0,1]=4 488 B14R1.6049 Cc1cc(ccc1NC(=O)C(=O)N)O 22a_100000756630_100011215815 [0,1,0,0,0,0|3,0,0]=4 489 B14R1.6049 Cc1ccc(c(c1)O)NC(=O)C(=O)N 22a_100000211527_100011215815 [0,1,0,0,0,0|3,0,0]=4 490 B14R1.6049 NC(=O)C(=O)Nc1ccc(cc1Br)O 22a_100012001276_100011215815 [0,1,0,0,0,0|3,0,0]=4 491 B14R1.6049 NC(=O)C(=O)Nc1ccc(cc1Cl)O 22a_100011215599_100011215815 [0,1,0,0,0,0|3,0,0]=4 492 B14R1.6049 NC(=O)C(=O)Nc1ccc(cc1F)O 22a_100000759473_100011215815 [0,1,0,0,0,0|3,0,0]=4 493 B14R1.6049 NC(=O)C(=O)Nc1ccc(cc1I)O 22a_100010084370_100011215815 [0,1,0,0,0,0|3,0,0]=4 494 B14R1.6049 NC(=O)C(=O)Nc1ccc(cc1O)Br 22a_100000739049_100011215815 [0,1,0,0,0,0|3,0,0]=4 495 B14R1.6049 NC(=O)C(=O)Nc1ccc(cc1O)Cl 22a_100000185728_100011215815 [0,1,0,0,0,0|3,0,0]=4 496 B14R1.6049 NC(=O)C(=O)Nc1ccc(cc1O)F 22a_100000753323_100011215815 [0,1,0,0,0,0|3,0,0]=4 497 B14R1.6049 NC(=O)C(=O)Nc1ccc(cc1O)I 22a_100000057187_100011215815 [0,1,0,0,0,0|3,0,0]=4 498 B14R1.6049 NC(=O)C(=O)Nc1ccc(cc1O)O 22a_100000106777_100011215815 [0,1,0,0,0,0|2,0,0]=3 499 B14R1.6049 NC(=O)C(F)Nc1ccc(cc1O)O 34a_100000106777_100009813875 [0,1,0,0,0,0|2,0,1]=4 500 B14R1.6049 NC(=O)C(F)Sc1ccc(cc1O)O 62a_100009813875_100009813921 [0,1,0,0,0,0|2,0,1]=4 501 B14R1.6049 O=C([O-])C(F)Nc1ccc(cc1O)O 34a_100000106777_100020610796 [0,1,0,0,0,0|1,0,2]=4 502 B14R1.6049 O=C([O-])C(F)Sc1ccc(cc1O)O 62a_100020610796_100009813921 [0,1,0,0,0,0|1,0,2]=4 503 B14R1.6059 CC(=O)C=Cc1ccc(c(c1F)F)F 1458a_100016275240_200000210301 [0,1,0,0,0,0|3,0,0]=4 504 B14R1.6059 CC(O)C=Cc1ccc(c(c1F)F)O 271570a_200011019289_100011830415 [0,1,0,0,0,0|2,0,1]=4 505 B14R1.6059 CC(O)C=Cc1ccc(c(c1O)F)F 271570a_200011019289_100010243909 [0,1,0,0,0,0|2,0,1]=4 506 B14R1.6059 Cc1c(ccc(c1C)C=CC(C)O)O 271570a_200011019289_100012353674 [0,1,0,0,0,0|2,0,1]=4 507 B14R1.6059 Cc1c(ccc(c1F)C=CC(C)O)O 271570a_200011019289_100010390934 [0,1,0,0,0,0|2,0,1]=4 508 B14R1.6059 Cc1c(ccc(c1N)O)C=CC(C)O 271570a_200011019289_100013039247 [0,1,0,0,0,0|2,0,1]=4 509 B14R1.6059 Cc1c(ccc(c1O)C=CC(C)O)F 271570a_200011019289_200010391124 [0,1,0,0,0,0|2,0,1]=4 510 B14R1.6059 Cc1ccc(c(c1F)O)C=CC(C)O 271570a_200011019289_100000722096 [0,1,0,0,0,0|2,0,1]=4 511 B14R1.6059 [13CH3]C(=O)C=Cc1ccc(c(c1F)F)F 1458a_100016275240_200025704644 [0,1,0,0,0,0|3,0,0]=4 512 B14R2.4529 CC(=O)c1cc2cc(ccc2o1)O 271570a_203496583355_100000181247 [0,0,0,1,0,0|3,0,0]=4 513 B14R2.4529 CC(=O)c1nc2ccc(cc2[nH]1)O 271570a_203496583355_200011795181 [0,0,0,1,0,0|3,0,0]=4 514 B14R2.4529 CC(=O)n1cc2ccc(cc2n1)O 271570a_203496583355_100010184422 [0,0,0,1,0,0|3,0,0]=4 515 B14R2.4529 NC(=O)c1cc2cc(ccc2[nH]1)O 271570a_203496583355_100009814496 [0,0,0,1,0,0|3,0,0]=4 516 B14R2.4529 NC(=O)c1cc2cc(ccc2o1)O 271570a_203496583355_100000185017 [0,0,0,1,0,0|3,0,0]=4 517 B14R2.4529 NC(=O)c1cc2ccc(cc2[nH]1)O 271570a_203496583355_100009814495 [0,0,0,1,0,0|2,0,0]=3 518 B14R2.4529 OB(O)c1cc2ccc(cc2[nH]1)O 271570a_203496583355_200010246288 [0,0,0,1,0,0|2,0,1]=4 519 B14R2.4529 OB(O)c1cc2ccc(cc2s1)O 271570a_203496583355_100015653926 [0,0,0,1,0,0|1,1,1]=4 520 B14R2.4687 Oc1ccc(c(c1)O)C=CC2CC2 271570a_100102526188_100009813921 [0,0,0,1,0,0|2,0,1]=4 521 B14R2.29365 O=c1cc(c2ccc(cc2o1)O)O 271570a_203496583355_100010062223 [0,0,0,1,0,0|2,0,1]=4 522 B12R1.233 CC(=Cc1ccc(cc1Br)O)C 271570a_100102525489_100000701344 [0,0,0,0,1,0|3,0,0]=4 523 B12R1.233 CC(=Cc1ccc(cc1C)O)C 271570a_100102525489_100000729255 [0,0,0,0,1,0|3,0,0]=4 524 B12R1.233 CC(=Cc1ccc(cc1Cl)O)C 271570a_100102525489_100000047559 [0,0,0,0,1,0|3,0,0]=4 525 B12R1.233 CC(=Cc1ccc(cc1F)O)C 271570a_100102525489_100000755031 [0,0,0,0,1,0|3,0,0]=4 526 B12R1.233 CC(=Cc1ccc(cc1N)O)C 271570a_100102525489_100011999798 [0,0,0,0,1,0|3,0,0]=4 527 B12R1.233 CC(=Cc1ccc(cc1O)Br)C 271570a_100102525489_100012344904 [0,0,0,0,1,0|3,0,0]=4 528 B12R1.233 CC(=Cc1ccc(cc1O)C)C 271570a_100102525489_100012002257 [0,0,0,0,1,0|3,0,0]=4 529 B12R1.233 CC(=Cc1ccc(cc1O)Cl)C 271570a_100102525489_100000050036 [0,0,0,0,1,0|3,0,0]=4 530 B12R1.233 CC(=Cc1ccc(cc1O)F)C 271570a_100102525489_100000690578 [0,0,0,0,1,0|3,0,0]=4 531 B12R1.233 CC(=Cc1ccc(cc1O)O)C 271570a_100102525489_100009813921 [0,0,0,0,1,0|2,0,0]=3 532 B12R1.233 CC(=O)Cc1ccc(cc1Br)O 1458a_100010176083_200000210301 [0,0,0,0,1,0|2,0,1]=4 533 B12R1.233 CC(=O)Cc1ccc(cc1F)O 1458a_100000090534_200000210301 [0,0,0,0,1,0|2,0,1]=4 534 B12R1.233 CC(=O)Cc1ccc(cc1O)Br 1458a_100000707504_200000210301 [0,0,0,0,1,0|2,0,1]=4 535 B12R1.233 CC(=O)Nc1ccc(cc1Br)O 22a_100012001276_100000070787 [0,0,0,0,1,0|3,0,0]=4 536 B12R1.233 CC(=O)Nc1ccc(cc1Br)O 527a_100012001276_100103153847 [0,0,0,0,1,0|3,0,0]=4 537 B12R1.233 CC(=O)Nc1ccc(cc1C)O 22a_100000756630_100000070787 [0,0,0,0,1,0|3,0,0]=4 538 B12R1.233 CC(=O)Nc1ccc(cc1C)O 271570a_203496583355_100000152120 [0,0,0,0,1,0|3,0,0]=4 539 B12R1.233 CC(=O)Nc1ccc(cc1C)O 527a_100000756630_100103153847 [0,0,0,0,1,0|3,0,0]=4 540 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O 22a_100011215599_100000070787 [0,0,0,0,1,0|3,0,0]=4 541 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O 271570a_203496583355_100011273303 [0,0,0,0,1,0|3,0,0]=4 542 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O 527a_100011215599_100103153847 [0,0,0,0,1,0|3,0,0]=4 543 B12R1.233 CC(=O)Nc1ccc(cc1F)O 22a_100000759473_100000070787 [0,0,0,0,1,0|3,0,0]=4 544 B12R1.233 CC(=O)Nc1ccc(cc1F)O 271570a_203496583355_100000155584 [0,0,0,0,1,0|3,0,0]=4 545 B12R1.233 CC(=O)Nc1ccc(cc1F)O 527a_100000759473_100103153847 [0,0,0,0,1,0|3,0,0]=4 546 B12R1.233 CC(=O)Nc1ccc(cc1I)O 22a_100010084370_100000070787 [0,0,0,0,1,0|3,0,0]=4 547 B12R1.233 CC(=O)Nc1ccc(cc1I)O 527a_100010084370_100103153847 [0,0,0,0,1,0|3,0,0]=4 548 B12R1.233 CC(=O)Nc1ccc(cc1N)O 271570a_203496583355_100000749274 [0,0,0,0,1,0|3,0,0]=4 549 B12R1.233 CC(=O)Nc1ccc(cc1O)Br 22a_100000739049_100000070787 [0,0,0,0,1,0|3,0,0]=4 550 B12R1.233 CC(=O)Nc1ccc(cc1O)Br 271570a_203496583355_100009813020 [0,0,0,0,1,0|3,0,0]=4 551 B12R1.233 CC(=O)Nc1ccc(cc1O)Br 527a_100000739049_100103153847 [0,0,0,0,1,0|3,0,0]=4 552 B12R1.233 CC(=O)Nc1ccc(cc1O)C 22a_100000211527_100000070787 [0,0,0,0,1,0|3,0,0]=4 553 B12R1.233 CC(=O)Nc1ccc(cc1O)C 271570a_203496583355_100000152032 [0,0,0,0,1,0|3,0,0]=4 554 B12R1.233 CC(=O)Nc1ccc(cc1O)C 527a_100000211527_100103153847 [0,0,0,0,1,0|3,0,0]=4 555 B12R1.233 CC(=O)Nc1ccc(cc1O)Cl 22a_100000185728_100000070787 [0,0,0,0,1,0|3,0,0]=4 556 B12R1.233 CC(=O)Nc1ccc(cc1O)Cl 527a_100000185728_100103153847 [0,0,0,0,1,0|3,0,0]=4 557 B12R1.233 CC(=O)Nc1ccc(cc1O)F 22a_100000753323_100000070787 [0,0,0,0,1,0|3,0,0]=4 558 B12R1.233 CC(=O)Nc1ccc(cc1O)F 271570a_203496583355_100011215554 [0,0,0,0,1,0|3,0,0]=4 559 B12R1.233 CC(=O)Nc1ccc(cc1O)F 527a_100000753323_100103153847 [0,0,0,0,1,0|3,0,0]=4 560 B12R1.233 CC(=O)Nc1ccc(cc1O)I 22a_100000057187_100000070787 [0,0,0,0,1,0|3,0,0]=4 561 B12R1.233 CC(=O)Nc1ccc(cc1O)I 527a_100000057187_100103153847 [0,0,0,0,1,0|3,0,0]=4 562 B12R1.233 CC(=O)Nc1ccc(cc1O)O 22a_100000106777_100000070787 [0,0,0,0,1,0|2,0,0]=3 563 B12R1.233 CC(=O)Nc1ccc(cc1O)O 527a_100000106777_100103153847 [0,0,0,0,1,0|2,0,0]=3 564 B12R1.233 CC(=O)Oc1ccc(cc1F)O 271570a_203496583355_100009811628 [0,0,0,0,1,0|3,0,0]=4 565 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)O 1458a_100010176083_200025704644 [0,0,0,0,1,0|2,0,1]=4 566 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)O 1458a_100000090534_200025704644 [0,0,0,0,1,0|2,0,1]=4 567 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1O)Br 1458a_100000707504_200025704644 [0,0,0,0,1,0|2,0,1]=4 568 B14R1.4464 CC(=CCNc1ccc(cc1O)O)C 34a_100000106777_100000761012 [0,0,0,0,0,1|2,0,1]=4 569 B14R1.4464 CC(=CCSc1ccc(cc1O)O)C 62a_100000761012_100009813921 [0,0,0,0,0,1|2,0,1]=4 570 B14R1.4464 CC(=O)CCSc1ccc(cc1O)O 62a_100000053229_100009813921 [0,0,0,0,0,1|1,0,2]=4 571 B14R1.4464 CC(=O)NN=Cc1ccc(cc1Br)O 4a_100000189765_100011236494 [0,0,0,0,0,1|3,0,0]=4 572 B14R1.4464 CC(=O)NN=Cc1ccc(cc1C)O 4a_100000189765_100000759874 [0,0,0,0,0,1|3,0,0]=4 573 B14R1.4464 CC(=O)NN=Cc1ccc(cc1Cl)O 4a_100000189765_100011215651 [0,0,0,0,0,1|3,0,0]=4 574 B14R1.4464 CC(=O)NN=Cc1ccc(cc1F)O 4a_100000189765_100000050915 [0,0,0,0,0,1|3,0,0]=4 575 B14R1.4464 CC(=O)NN=Cc1ccc(cc1I)O 4a_100000189765_100000051608 [0,0,0,0,0,1|3,0,0]=4 576 B14R1.4464 CC(=O)NN=Cc1ccc(cc1O)Br 4a_100000189765_100011277552 [0,0,0,0,0,1|3,0,0]=4 577 B14R1.4464 CC(=O)NN=Cc1ccc(cc1O)C 4a_100000189765_100000050924 [0,0,0,0,0,1|3,0,0]=4 578 B14R1.4464 CC(=O)NN=Cc1ccc(cc1O)Cl 4a_100000189765_100011243810 [0,0,0,0,0,1|3,0,0]=4 579 B14R1.4464 CC(=O)NN=Cc1ccc(cc1O)F 4a_100000189765_100000038406 [0,0,0,0,0,1|3,0,0]=4 580 B14R1.4464 CC(=O)NN=Cc1ccc(cc1O)I 4a_100000189765_100000050530 [0,0,0,0,0,1|3,0,0]=4 581 B14R1.4464 CC(=O)NN=Cc1ccc(cc1O)O 4a_100000189765_100000212098 [0,0,0,0,0,1|2,0,0]=3 582 B14R1.4464 CC(=O)OCNc1ccc(cc1O)O 34a_100000106777_100009813279 [0,0,0,0,0,1|2,0,1]=4 583 B14R1.4464 CC(=O)OCSc1ccc(cc1O)O 62a_100000076356_100009813921 [0,0,0,0,0,1|2,0,1]=4 584 B14R1.4464 CC(C)CC=Cc1ccc(cc1O)O 271570a_100016259101_100009813921 [0,0,0,0,0,1|2,0,1]=4 585 B14R1.4464 NC(=O)CCNc1ccc(cc1O)O 34a_100000106777_100000731001 [0,0,0,0,0,1|1,0,2]=4 586 B14R1.4464 NC(=O)CCSc1ccc(cc1O)O 62a_100000744528_100009813921 [0,0,0,0,0,1|1,0,2]=4 587 B11R1.1 COC=Cc1ccc(cc1)O 271570a_203496583355_100020630460 [2,0,0,0,0,0|2,0,0]=4 588 B11R1.1 O=CCCc1ccc(cc1)O 271570a_203496583355_100011361538 [2,0,0,0,0,0|0,0,2]=4 589 B11R1.1 O=CCNc1ccc(cc1)O 34a_100000185829_200009817547 [2,0,0,0,0,0|1,0,1]=4 590 B11R1.1 O=CCSc1ccc(cc1)O 62a_200015260668_100000185759 [2,0,0,0,0,0|1,0,1]=4 591 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [2,0,0,0,0,0|1,0,0]=3 592 B11R1.91 CC(=O)C=Cc1ccccn1 1458a_100000740811_200000210301 [2,0,0,0,0,0|2,0,0]=4 593 B11R1.91 CC(=O)C=Cc1cccnc1 1458a_100000735890_200000210301 [2,0,0,0,0,0|2,0,0]=4 594 B11R1.91 CC(=O)C=Cc1ccncc1 1458a_100000682801_200000210301 [2,0,0,0,0,0|2,0,0]=4 595 B11R1.91 CC(O)C=Cc1ccccc1 271570a_200011019289_100000210277 [2,0,0,0,0,0|1,0,1]=4 596 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [2,0,0,0,0,0|1,0,0]=3 597 B11R1.91 [13CH3]C(=O)C=Cc1ccccn1 1458a_100000740811_200025704644 [2,0,0,0,0,0|2,0,0]=4 598 B11R1.91 [13CH3]C(=O)C=Cc1cccnc1 1458a_100000735890_200025704644 [2,0,0,0,0,0|2,0,0]=4 599 B11R1.91 [13CH3]C(=O)C=Cc1ccncc1 1458a_100000682801_200025704644 [2,0,0,0,0,0|2,0,0]=4 600 B11R1.17 O=CCCc1ccccc1O 271570a_203496583355_100011713448 [2,0,0,0,0,0|0,0,2]=4 601 B11R1.17 O=CCNc1ccccc1O 34a_100000185747_200009817547 [2,0,0,0,0,0|1,0,1]=4 602 B11R1.17 O=CCSc1ccccc1O 62a_100000739446_200015260668 [2,0,0,0,0,0|1,0,1]=4 603 B11R1.17 O=CCSc1ccccc1O 62a_200015260668_100000739446 [2,0,0,0,0,0|1,0,1]=4 604 B11R1.81 C=C=Cc1ccc(cc1Br)O 271570a_100015277604_100000701344 [2,0,0,0,0,0|1,0,1]=4 605 B11R1.81 C=C=Cc1ccc(cc1C)O 271570a_100015277604_100000729255 [2,0,0,0,0,0|1,0,1]=4 606 B11R1.81 C=C=Cc1ccc(cc1Cl)O 271570a_100015277604_100000047559 [2,0,0,0,0,0|1,0,1]=4 607 B11R1.81 C=C=Cc1ccc(cc1F)O 271570a_100015277604_100000755031 [2,0,0,0,0,0|1,0,1]=4 608 B11R1.81 C=C=Cc1ccc(cc1N)O 271570a_100015277604_100011999798 [2,0,0,0,0,0|1,0,1]=4 609 B11R1.81 C=C=Cc1ccc(cc1O)Br 271570a_100015277604_100012344904 [2,0,0,0,0,0|1,0,1]=4 610 B11R1.81 C=C=Cc1ccc(cc1O)C 271570a_100015277604_100012002257 [2,0,0,0,0,0|1,0,1]=4 611 B11R1.81 C=C=Cc1ccc(cc1O)Cl 271570a_100015277604_100000050036 [2,0,0,0,0,0|1,0,1]=4 612 B11R1.81 C=C=Cc1ccc(cc1O)F 271570a_100015277604_100000690578 [2,0,0,0,0,0|1,0,1]=4 613 B11R1.81 C=C=Cc1ccc(cc1O)O 271570a_100015277604_100009813921 [2,0,0,0,0,0|0,0,1]=3 614 B11R1.81 CC=Cc1ccc(cc1Br)O 271570a_100016259895_100000701344 [2,0,0,0,0,0|1,0,1]=4 615 B11R1.81 CC=Cc1ccc(cc1C)O 271570a_100016259895_100000729255 [2,0,0,0,0,0|1,0,1]=4 616 B11R1.81 CC=Cc1ccc(cc1Cl)O 271570a_100016259895_100000047559 [2,0,0,0,0,0|1,0,1]=4 617 B11R1.81 CC=Cc1ccc(cc1F)O 271570a_100016259895_100000755031 [2,0,0,0,0,0|1,0,1]=4 618 B11R1.81 CC=Cc1ccc(cc1N)O 271570a_100016259895_100011999798 [2,0,0,0,0,0|1,0,1]=4 619 B11R1.81 CC=Cc1ccc(cc1O)Br 271570a_100016259895_100012344904 [2,0,0,0,0,0|1,0,1]=4 620 B11R1.81 CC=Cc1ccc(cc1O)C 271570a_100016259895_100012002257 [2,0,0,0,0,0|1,0,1]=4 621 B11R1.81 CC=Cc1ccc(cc1O)Cl 271570a_100016259895_100000050036 [2,0,0,0,0,0|1,0,1]=4 622 B11R1.81 CC=Cc1ccc(cc1O)F 271570a_100016259895_100000690578 [2,0,0,0,0,0|1,0,1]=4 623 B11R1.81 CC=Cc1ccc(cc1O)O 271570a_100016259895_100009813921 [2,0,0,0,0,0|0,0,1]=3 624 B13R1.3 C=Cc1ccc(cc1)/C=C/C(=O)C 271570a_100011290941_200016259395 [1,1,0,0,0,0|2,0,0]=4 625 B13R1.3 CC(=O)/C=C/c1ccc(cc1)O[13CH3] 34a_100000189429_200025704644 [1,1,0,0,0,0|1,0,0]=3 626 B13R1.3 CC(=O)/C=C/c1ccc(cc1)S[13CH3] 62a_200016259395_200025704644 [1,1,0,0,0,0|1,1,0]=4 627 B13R1.3 CC(=O)/C=C/c1ccc(cc1)S[13CH3] 62a_200025704644_200016259395 [1,1,0,0,0,0|1,1,0]=4 628 B13R1.3 CC(=O)C=Cc1ccc(cc1)C#N 1458a_100000185084_200000210301 [1,1,0,0,0,0|2,0,0]=4 629 B13R1.3 CC(O)C=Cc1ccc(cc1)CO 271570a_200011019289_100000690907 [1,1,0,0,0,0|1,0,1]=4 630 B13R1.3 CCc1ccc(cc1)C=CC(=O)C 1458a_100000187855_200000210301 [1,1,0,0,0,0|2,0,0]=4 631 B13R1.3 CCc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000187855_200025704644 [1,1,0,0,0,0|2,0,0]=4 632 B13R1.3 COc1ccc(cc1)/C=C/C(=O)C 34a_100000189429_200000210301 [1,1,0,0,0,0|1,0,0]=3 633 B13R1.3 COc1ccc(cc1)/C=C/[N+](=O)[O-] 34a_100102610870_200000210301 [1,1,0,0,0,0|1,0,1]=4 634 B13R1.3 COc1ccc(cc1)C=CC(=O)C 1458a_100000184205_200000210301 [1,1,0,0,0,0|1,0,0]=3 635 B13R1.3 COc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000184205_200025704644 [1,1,0,0,0,0|1,0,0]=3 636 B13R1.3 COc1ccc(cc1)C=CC(C)O 271570a_200011019289_100000171711 [1,1,0,0,0,0|1,0,1]=4 637 B13R1.3 CSc1ccc(cc1)/C=C/C(=O)C 62a_200000210301_200016259395 [1,1,0,0,0,0|1,1,0]=4 638 B13R1.3 CSc1ccc(cc1)/C=C/C(=O)C 62a_200016259395_200000210301 [1,1,0,0,0,0|1,1,0]=4 639 B13R1.3 CSc1ccc(cc1)C=CC(=O)C 1458a_100102526083_200000210301 [1,1,0,0,0,0|1,1,0]=4 640 B13R1.3 CSc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100102526083_200025704644 [1,1,0,0,0,0|1,1,0]=4 641 B13R1.3 [13CH3]C(=O)C=Cc1ccc(cc1)C#N 1458a_100000185084_200025704644 [1,1,0,0,0,0|2,0,0]=4 642 B13R1.3 [13CH3]Oc1ccc(cc1)/C=C/[N+](=O)[O-] 34a_100102610870_200025704644 [1,1,0,0,0,0|1,0,1]=4 643 B13R1.14 CCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000210202 [1,1,0,0,0,0|2,0,0]=4 644 B13R1.14 CCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000211110 [1,1,0,0,0,0|2,0,0]=4 645 B13R1.14 CCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000210202 [1,1,0,0,0,0|2,0,0]=4 646 B13R1.14 CCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000210202 [1,1,0,0,0,0|2,0,0]=4 647 B13R1.14 CCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000210202 [1,1,0,0,0,0|2,0,0]=4 648 B13R1.14 CCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000211110 [1,1,0,0,0,0|2,0,0]=4 649 B13R1.14 CCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000210202 [1,1,0,0,0,0|2,0,0]=4 650 B13R1.14 CCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000211110 [1,1,0,0,0,0|2,0,0]=4 651 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Br 11a_106832991635_100016267368 [1,1,0,0,0,0|2,0,0]=4 652 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Br 1626a_100102657272_100016267368 [1,1,0,0,0,0|2,0,0]=4 653 B13R1.14 CNC(=O)C=Cc1ccc(cc1)C 11a_106832991635_100000716854 [1,1,0,0,0,0|2,0,0]=4 654 B13R1.14 CNC(=O)C=Cc1ccc(cc1)C 1626a_100102657272_100000716854 [1,1,0,0,0,0|2,0,0]=4 655 B13R1.14 CNC(=O)C=Cc1ccc(cc1)C 240690a_100102657272_100000716854 [1,1,0,0,0,0|2,0,0]=4 656 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Cl 11a_106832991635_100000184863 [1,1,0,0,0,0|2,0,0]=4 657 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Cl 1626a_100102657272_100000184863 [1,1,0,0,0,0|2,0,0]=4 658 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Cl 240690a_100102657272_100000184863 [1,1,0,0,0,0|2,0,0]=4 659 B13R1.14 CNC(=O)C=Cc1ccc(cc1)F 11a_106832991635_100000182136 [1,1,0,0,0,0|2,0,0]=4 660 B13R1.14 CNC(=O)C=Cc1ccc(cc1)F 1626a_100102657272_100000182136 [1,1,0,0,0,0|2,0,0]=4 661 B13R1.14 CNC(=O)C=Cc1ccc(cc1)F 240690a_100102657272_100000182136 [1,1,0,0,0,0|2,0,0]=4 662 B13R1.14 CNC(=O)C=Cc1ccc(cc1)I 11a_106832991635_100102526154 [1,1,0,0,0,0|2,0,0]=4 663 B13R1.14 CNC(=O)C=Cc1ccc(cc1)I 1626a_100102657272_100102526154 [1,1,0,0,0,0|2,0,0]=4 664 B13R1.14 CNC(=O)C=Cc1ccc(cc1)I 240690a_100102657272_100102526154 [1,1,0,0,0,0|2,0,0]=4 665 B13R1.14 CNC(=O)C=Cc1ccc(cc1)O 240690a_100102657272_100016269017 [1,1,0,0,0,0|1,0,0]=3 666 B13R1.14 COC(=O)/C=C/c1ccc(cc1)O 271570a_203496583355_100000148628 [1,1,0,0,0,0|0,0,0]=2 667 B13R1.14 COC(=O)C#Cc1ccc(cc1)O 271570a_203496583355_100012100070 [1,1,0,0,0,0|0,0,2]=4 668 B13R1.14 COC(=O)CCc1ccc(cc1)O 271570a_203496583355_100012357364 [1,1,0,0,0,0|0,0,2]=4 669 B13R1.14 COC(=O)CNc1ccc(cc1)O 34a_100000185829_100000747449 [1,1,0,0,0,0|1,0,1]=4 670 B13R1.14 COC(=O)COc1ccc(cc1)O 271570a_203496583355_100000149925 [1,1,0,0,0,0|1,0,1]=4 671 B13R1.14 COC(=O)CSc1ccc(cc1)O 62a_100000747449_100000185759 [1,1,0,0,0,0|1,0,1]=4 672 B13R1.14 Cc1ccc(cc1)C=CC(=O)CF 1458a_100000716854_100015361967 [1,1,0,0,0,0|2,0,0]=4 673 B13R1.14 O=C(C=Cc1ccc(cc1)Br)CBr 6a_100000186029_100009888967 [1,1,0,0,0,0|2,0,0]=4 674 B13R1.14 O=C(C=Cc1ccc(cc1)Br)CCl 6a_100000186029_100000086384 [1,1,0,0,0,0|2,0,0]=4 675 B13R1.14 O=C(C=Cc1ccc(cc1)Br)CF 1458a_100016267368_100015361967 [1,1,0,0,0,0|2,0,0]=4 676 B13R1.14 O=C(C=Cc1ccc(cc1)Br)CF 6a_100000186029_100000764096 [1,1,0,0,0,0|2,0,0]=4 677 B13R1.14 O=C(C=Cc1ccc(cc1)Cl)CF 1458a_100000184863_100015361967 [1,1,0,0,0,0|2,0,0]=4 678 B13R1.14 O=C(C=Cc1ccc(cc1)F)CBr 6a_100000210084_100009888967 [1,1,0,0,0,0|2,0,0]=4 679 B13R1.14 O=C(C=Cc1ccc(cc1)F)CCl 6a_100000210084_100000086384 [1,1,0,0,0,0|2,0,0]=4 680 B13R1.14 O=C(C=Cc1ccc(cc1)F)CF 1458a_100000182136_100015361967 [1,1,0,0,0,0|2,0,0]=4 681 B13R1.14 O=C(C=Cc1ccc(cc1)F)CF 6a_100000210084_100000764096 [1,1,0,0,0,0|2,0,0]=4 682 B13R1.14 O=C(C=Cc1ccc(cc1)I)CBr 6a_100000188517_100009888967 [1,1,0,0,0,0|2,0,0]=4 683 B13R1.14 O=C(C=Cc1ccc(cc1)I)CCl 6a_100000188517_100000086384 [1,1,0,0,0,0|2,0,0]=4 684 B13R1.14 O=C(C=Cc1ccc(cc1)I)CF 1458a_100102526154_100015361967 [1,1,0,0,0,0|2,0,0]=4 685 B13R1.14 O=C(C=Cc1ccc(cc1)I)CF 6a_100000188517_100000764096 [1,1,0,0,0,0|2,0,0]=4 686 B13R1.14 O=C(CO)CCc1ccc(cc1)O 1458a_100000210174_100009816426 [1,1,0,0,0,0|0,0,2]=4 687 B13R1.14 O=C(CO)NCc1ccc(cc1)O 240690a_100000185549_100000210174 [1,1,0,0,0,0|1,0,1]=4 688 B13R1.14 O=C(CO)NCc1ccc(cc1)O 527a_100000185549_100000210174 [1,1,0,0,0,0|1,0,1]=4 689 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)O 1458a_100000070787_100009814261 [1,1,0,0,0,0|1,0,1]=4 690 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)O 271570a_203496583355_100000184285 [1,1,0,0,0,0|1,0,1]=4 691 B13R1.132 NC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000187820 [1,1,0,0,0,0|1,0,1]=4 692 B13R1.132 O=C([O-])CC(=O)c1ccc(cc1)O 1458a_100000212099_100020667443 [1,1,0,0,0,0|0,0,2]=4 693 B13R1.133 C/C(=C\c1ccc(cc1)F)/C(=O)[13CH3] 1458a_100053117043_200025704644 [1,1,0,0,0,0|2,0,0]=4 694 B13R1.133 CC(=O)/C(=C/c1ccc(cc1)F)/C 1458a_100053117043_200000210301 [1,1,0,0,0,0|2,0,0]=4 695 B13R1.133 NC(=O)C(=O)Nc1ccc(cc1)O 22a_100000185829_100011215815 [1,1,0,0,0,0|2,0,0]=4 696 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Br)Cl 1458a_100102889548_200000210301 [1,1,0,0,0,0|2,0,0]=4 697 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Br)F 1458a_100011195070_200000210301 [1,1,0,0,0,0|2,0,0]=4 698 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Br)O 1458a_200103079279_200000210301 [1,1,0,0,0,0|1,0,0]=3 699 B13R1.511 CC(=O)C=Cc1ccc(c(c1)C)C 1458a_100011338269_200000210301 [1,1,0,0,0,0|2,0,0]=4 700 B13R1.511 CC(=O)C=Cc1ccc(c(c1)C)F 1458a_100016261966_200000210301 [1,1,0,0,0,0|2,0,0]=4 701 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Cl)Cl 1458a_100000716972_200000210301 [1,1,0,0,0,0|2,0,0]=4 702 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Cl)F 1458a_100102525453_200000210301 [1,1,0,0,0,0|2,0,0]=4 703 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Cl)O 1458a_200103117615_200000210301 [1,1,0,0,0,0|1,0,0]=3 704 B13R1.511 CC(=O)C=Cc1ccc(c(c1)F)Br 1458a_100102601611_200000210301 [1,1,0,0,0,0|2,0,0]=4 705 B13R1.511 CC(=O)C=Cc1ccc(c(c1)F)C 1458a_100102526211_200000210301 [1,1,0,0,0,0|2,0,0]=4 706 B13R1.511 CC(=O)C=Cc1ccc(c(c1)F)Cl 1458a_100020610926_200000210301 [1,1,0,0,0,0|2,0,0]=4 707 B13R1.511 CC(=O)C=Cc1ccc(c(c1)F)F 1458a_100011195075_200000210301 [1,1,0,0,0,0|2,0,0]=4 708 B13R1.511 CC(O)C=Cc1ccc(c(c1)Br)O 271570a_200011019289_100012361655 [1,1,0,0,0,0|1,0,1]=4 709 B13R1.511 CC(O)C=Cc1ccc(c(c1)Cl)O 271570a_200011019289_100012360047 [1,1,0,0,0,0|1,0,1]=4 710 B13R1.511 CC(O)C=Cc1ccc(c(c1)F)O 271570a_200011019289_100000185481 [1,1,0,0,0,0|1,0,1]=4 711 B13R1.511 CC(O)C=Cc1ccc(c(c1)N)O 271570a_200011019289_100000752626 [1,1,0,0,0,0|1,0,1]=4 712 B13R1.511 CC(O)C=Cc1ccc(c(c1)O)O 271570a_200011019289_100009813601 [1,1,0,0,0,0|1,0,1]=4 713 B13R1.511 Cc1cc(ccc1F)C=CC(=O)[13CH3] 1458a_100016261966_200025704644 [1,1,0,0,0,0|2,0,0]=4 714 B13R1.511 Cc1cc(ccc1O)C=CC(C)O 271570a_200011019289_100000186361 [1,1,0,0,0,0|1,0,1]=4 715 B13R1.511 Cc1ccc(cc1C)C=CC(=O)[13CH3] 1458a_100011338269_200025704644 [1,1,0,0,0,0|2,0,0]=4 716 B13R1.511 Cc1ccc(cc1F)C=CC(=O)[13CH3] 1458a_100102526211_200025704644 [1,1,0,0,0,0|2,0,0]=4 717 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Br)Cl 1458a_100102889548_200025704644 [1,1,0,0,0,0|2,0,0]=4 718 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Br)F 1458a_100011195070_200025704644 [1,1,0,0,0,0|2,0,0]=4 719 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Br)O 1458a_200103079279_200025704644 [1,1,0,0,0,0|1,0,0]=3 720 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Cl)Cl 1458a_100000716972_200025704644 [1,1,0,0,0,0|2,0,0]=4 721 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Cl)F 1458a_100102525453_200025704644 [1,1,0,0,0,0|2,0,0]=4 722 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Cl)O 1458a_200103117615_200025704644 [1,1,0,0,0,0|1,0,0]=3 723 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)F)Br 1458a_100102601611_200025704644 [1,1,0,0,0,0|2,0,0]=4 724 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)F)Cl 1458a_100020610926_200025704644 [1,1,0,0,0,0|2,0,0]=4 725 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)F)F 1458a_100011195075_200025704644 [1,1,0,0,0,0|2,0,0]=4 726 B13R1.512 CC(C)(O)C=Cc1ccc(cc1)O 271570a_200016258132_100000185759 [1,1,0,0,0,0|1,0,1]=4 727 B13R1.73 COc1cc(ccc1NCC=O)O 34a_100015326901_200009817547 [1,1,0,0,0,0|1,0,1]=4 728 B13R1.73 COc1cc(ccc1SCC=O)O 62a_200015260668_100011827694 [1,1,0,0,0,0|1,0,1]=4 729 B13R1.73 O=CCSc1ccc(cc1CO)O 62a_100012351483_200015260668 [1,1,0,0,0,0|1,0,1]=4 730 B13R1.73 O=CCSc1ccc(cc1CO)O 62a_200015260668_100012351483 [1,1,0,0,0,0|1,0,1]=4 731 B13R1.75 COc1ccc(c(c1)O)NCC=O 34a_100016989039_200009817547 [1,1,0,0,0,0|1,0,1]=4 732 B13R1.75 COc1ccc(c(c1)O)SCC=O 62a_200015260668_100000719091 [1,1,0,0,0,0|1,0,1]=4 733 B13R1.75 O=CCSc1ccc(cc1O)CO 62a_100000049605_200015260668 [1,1,0,0,0,0|1,0,1]=4 734 B13R1.75 O=CCSc1ccc(cc1O)CO 62a_200015260668_100000049605 [1,1,0,0,0,0|1,0,1]=4 735 B13R1.369 C/C=C/CNc1ccc(cc1O)O 34a_100000106777_100102629194 [1,1,0,0,0,0|1,0,1]=4 736 B13R1.369 C/C=C/CSc1ccc(cc1O)O 62a_100102629194_100009813921 [1,1,0,0,0,0|1,0,1]=4 737 B13R1.369 CC=CCNc1ccc(cc1O)O 34a_100000106777_100000070051 [1,1,0,0,0,0|1,0,1]=4 738 B13R1.369 CC=CCSc1ccc(cc1O)O 62a_100000070051_100009813921 [1,1,0,0,0,0|1,0,1]=4 739 B13R1.369 CCCC=Cc1ccc(cc1O)O 271570a_100016258520_100009813921 [1,1,0,0,0,0|1,0,1]=4 740 B13R1.369 CCOC=Cc1ccc(cc1O)O 271570a_100016256518_100009813921 [1,1,0,0,0,0|1,0,1]=4 741 B13R1.369 COCC=Cc1ccc(cc1Br)O 271570a_100016286323_100000701344 [1,1,0,0,0,0|1,0,1]=4 742 B13R1.369 COCC=Cc1ccc(cc1C)O 271570a_100016286323_100000729255 [1,1,0,0,0,0|1,0,1]=4 743 B13R1.369 COCC=Cc1ccc(cc1Cl)O 271570a_100016286323_100000047559 [1,1,0,0,0,0|1,0,1]=4 744 B13R1.369 COCC=Cc1ccc(cc1F)O 271570a_100016286323_100000755031 [1,1,0,0,0,0|1,0,1]=4 745 B13R1.369 COCC=Cc1ccc(cc1N)O 271570a_100016286323_100011999798 [1,1,0,0,0,0|1,0,1]=4 746 B13R1.369 COCC=Cc1ccc(cc1O)Br 271570a_100016286323_100012344904 [1,1,0,0,0,0|1,0,1]=4 747 B13R1.369 COCC=Cc1ccc(cc1O)C 271570a_100016286323_100012002257 [1,1,0,0,0,0|1,0,1]=4 748 B13R1.369 COCC=Cc1ccc(cc1O)Cl 271570a_100016286323_100000050036 [1,1,0,0,0,0|1,0,1]=4 749 B13R1.369 COCC=Cc1ccc(cc1O)F 271570a_100016286323_100000690578 [1,1,0,0,0,0|1,0,1]=4 750 B13R1.369 COCC=Cc1ccc(cc1O)O 271570a_100016286323_100009813921 [1,1,0,0,0,0|0,0,1]=3 751 B13R1.1511 C=CCC(=O)c1ccc(cc1O)O 1458a_100000212172_100000210623 [1,1,0,0,0,0|1,0,1]=4 752 B13R1.1511 O=C(CCO)c1ccc(cc1O)O 1458a_100000212172_100000211926 [1,1,0,0,0,0|0,0,2]=4 753 B13R1.1601 O=CCSc1c(cc(cc1O)O)O 62a_200015260668_200010341185 [1,1,0,0,0,0|1,0,1]=4 754 B13R1.2679 C=CC(=O)Nc1ccc(cc1O)O 22a_100000106777_100000185746 [1,1,0,0,0,0|2,0,0]=4 755 B13R1.2679 O=C(CO)Nc1ccc(cc1O)O 22a_100000106777_100000210174 [1,1,0,0,0,0|1,0,1]=4 756 B13R1.2679 O=C(CO)Nc1ccc(cc1O)O 527a_100000106777_100000210174 [1,1,0,0,0,0|1,0,1]=4 757 B13R1.90 CC(=O)C=Cc1ccccc1C#N 1458a_100016294624_200000210301 [1,1,0,0,0,0|2,0,0]=4 758 B13R1.90 CC(O)C=Cc1ccccc1CO 271570a_200011019289_100000187465 [1,1,0,0,0,0|1,0,1]=4 759 B13R1.90 COc1ccccc1C=CC(=O)C 1458a_100000182468_200000210301 [1,1,0,0,0,0|1,0,0]=3 760 B13R1.90 COc1ccccc1C=CC(=O)[13CH3] 1458a_100000182468_200025704644 [1,1,0,0,0,0|1,0,0]=3 761 B13R1.90 COc1ccccc1C=CC(C)O 271570a_200011019289_100000174000 [1,1,0,0,0,0|1,0,1]=4 762 B13R1.90 COc1ncccc1C=CC(=O)C 1458a_100102601226_200000210301 [1,1,0,0,0,0|2,0,0]=4 763 B13R1.90 COc1ncccc1C=CC(=O)[13CH3] 1458a_100102601226_200025704644 [1,1,0,0,0,0|2,0,0]=4 764 B13R1.90 [13CH3]C(=O)C=Cc1ccccc1C#N 1458a_100016294624_200025704644 [1,1,0,0,0,0|2,0,0]=4 765 B13R1.150 CC(=O)C=Cc1cccc(c1C)F 1458a_100102526135_200000210301 [1,1,0,0,0,0|2,0,0]=4 766 B13R1.150 CC(=O)C=Cc1cccc(c1Cl)Cl 1458a_100000184505_200000210301 [1,1,0,0,0,0|2,0,0]=4 767 B13R1.150 CC(=O)C=Cc1cccc(c1F)Br 1458a_100012351547_200000210301 [1,1,0,0,0,0|2,0,0]=4 768 B13R1.150 CC(=O)C=Cc1cccc(c1F)Cl 1458a_100011217667_200000210301 [1,1,0,0,0,0|2,0,0]=4 769 B13R1.150 CC(=O)C=Cc1cccc(c1F)F 1458a_100102526107_200000210301 [1,1,0,0,0,0|2,0,0]=4 770 B13R1.150 CC(O)C=Cc1cccc(c1O)Br 271570a_200011019289_100010084509 [1,1,0,0,0,0|1,0,1]=4 771 B13R1.150 CC(O)C=Cc1cccc(c1O)Cl 271570a_200011019289_100010202889 [1,1,0,0,0,0|1,0,1]=4 772 B13R1.150 CC(O)C=Cc1cccc(c1O)F 271570a_200011019289_100009813666 [1,1,0,0,0,0|1,0,1]=4 773 B13R1.150 CC(O)C=Cc1cccc(c1O)N 271570a_200011019289_100011934915 [1,1,0,0,0,0|1,0,1]=4 774 B13R1.150 CC(O)C=Cc1cccc(c1O)O 271570a_200011019289_100009815950 [1,1,0,0,0,0|1,0,1]=4 775 B13R1.150 Cc1c(cccc1C=CC(=O)[13CH3])F 1458a_100102526135_200025704644 [1,1,0,0,0,0|2,0,0]=4 776 B13R1.150 Cc1cccc(c1O)C=CC(C)O 271570a_200011019289_100009817157 [1,1,0,0,0,0|1,0,1]=4 777 B13R1.150 [13CH3]C(=O)C=Cc1cccc(c1Cl)Cl 1458a_100000184505_200025704644 [1,1,0,0,0,0|2,0,0]=4 778 B13R1.150 [13CH3]C(=O)C=Cc1cccc(c1F)Br 1458a_100012351547_200025704644 [1,1,0,0,0,0|2,0,0]=4 779 B13R1.150 [13CH3]C(=O)C=Cc1cccc(c1F)Cl 1458a_100011217667_200025704644 [1,1,0,0,0,0|2,0,0]=4 780 B13R1.150 [13CH3]C(=O)C=Cc1cccc(c1F)F 1458a_100102526107_200025704644 [1,1,0,0,0,0|2,0,0]=4 781 B13R1.157 CC(C)(O)C=Cc1ccccc1O 271570a_200016258132_100000739446 [1,1,0,0,0,0|1,0,1]=4 782 B13R1.201 CC(=O)CC(=O)c1ccccc1O 1458a_100000070787_100000188908 [1,1,0,0,0,0|1,0,1]=4 783 B13R1.201 CC(=O)CC(=O)c1ccccc1O 271570a_203496583355_200011243946 [1,1,0,0,0,0|1,0,1]=4 784 B13R1.201 NC(=O)CC(=O)c1ccccc1O 1458a_100015234032_100000187820 [1,1,0,0,0,0|1,0,1]=4 785 B13R1.201 O=C([O-])CC(=O)c1ccccc1O 1458a_100015234032_100020667443 [1,1,0,0,0,0|0,0,2]=4 786 B13R1.202 CC(=Cc1ccccc1Cl)C(=O)[13CH3] 1458a_100000693296_200025704644 [1,1,0,0,0,0|2,0,0]=4 787 B13R1.202 CC(=O)C(=Cc1ccccc1Cl)C 1458a_100000693296_200000210301 [1,1,0,0,0,0|2,0,0]=4 788 B13R1.202 NC(=O)C(=O)Nc1ccccc1O 22a_100000185747_100011215815 [1,1,0,0,0,0|2,0,0]=4 789 B13R1.528 CCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000210202 [1,1,0,0,0,0|2,0,0]=4 790 B13R1.528 CCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000210202 [1,1,0,0,0,0|2,0,0]=4 791 B13R1.528 CCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000210202 [1,1,0,0,0,0|2,0,0]=4 792 B13R1.528 CCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000210202 [1,1,0,0,0,0|1,0,0]=3 793 B13R1.528 CNC(=O)C=Cc1ccccc1Br 11a_106832991635_100000719032 [1,1,0,0,0,0|2,0,0]=4 794 B13R1.528 CNC(=O)C=Cc1ccccc1Br 1626a_100102657272_100000719032 [1,1,0,0,0,0|2,0,0]=4 795 B13R1.528 CNC(=O)C=Cc1ccccc1Br 240690a_100102657272_100000719032 [1,1,0,0,0,0|2,0,0]=4 796 B13R1.528 CNC(=O)C=Cc1ccccc1C 1626a_100102657272_100016266485 [1,1,0,0,0,0|2,0,0]=4 797 B13R1.528 CNC(=O)C=Cc1ccccc1Cl 11a_106832991635_100000720304 [1,1,0,0,0,0|2,0,0]=4 798 B13R1.528 CNC(=O)C=Cc1ccccc1Cl 1626a_100102657272_100000720304 [1,1,0,0,0,0|2,0,0]=4 799 B13R1.528 CNC(=O)C=Cc1ccccc1Cl 240690a_100102657272_100000720304 [1,1,0,0,0,0|2,0,0]=4 800 B13R1.528 CNC(=O)C=Cc1ccccc1F 11a_106832991635_100016256065 [1,1,0,0,0,0|2,0,0]=4 801 B13R1.528 CNC(=O)C=Cc1ccccc1F 1626a_100102657272_100016256065 [1,1,0,0,0,0|2,0,0]=4 802 B13R1.528 CNC(=O)C=Cc1ccccc1F 240690a_100102657272_100016256065 [1,1,0,0,0,0|2,0,0]=4 803 B13R1.528 COC(=O)/C=C/c1ccccc1O 271570a_203496583355_100000151022 [1,1,0,0,0,0|0,0,0]=2 804 B13R1.528 COC(=O)CCc1ccccc1O 271570a_203496583355_100009815308 [1,1,0,0,0,0|0,0,2]=4 805 B13R1.528 COC(=O)CNc1ccccc1O 34a_100000185747_100000747449 [1,1,0,0,0,0|1,0,1]=4 806 B13R1.528 COC(=O)COc1ccccc1O 271570a_203496583355_200000173920 [1,1,0,0,0,0|1,0,1]=4 807 B13R1.528 COC(=O)CSc1ccccc1O 62a_100000739446_100000747449 [1,1,0,0,0,0|1,0,1]=4 808 B13R1.528 COC(=O)CSc1ccccc1O 62a_100000747449_100000739446 [1,1,0,0,0,0|1,0,1]=4 809 B13R1.528 O=C(C=Cc1ccccc1Br)CF 1458a_100000719032_100015361967 [1,1,0,0,0,0|2,0,0]=4 810 B13R1.528 O=C(C=Cc1ccccc1Cl)CF 1458a_100000720304_100015361967 [1,1,0,0,0,0|2,0,0]=4 811 B13R1.528 O=C(C=Cc1ccccc1F)CF 1458a_100016256065_100015361967 [1,1,0,0,0,0|2,0,0]=4 812 B13R1.528 O=C(C=Cc1ccccc1O)CF 1458a_100016263591_100015361967 [1,1,0,0,0,0|1,0,0]=3 813 B13R1.528 O=C(CO)CCc1ccccc1O 1458a_100000210174_100000722297 [1,1,0,0,0,0|0,0,2]=4 814 B13R1.528 O=C(CO)NCc1ccccc1O 240690a_100000185550_100000210174 [1,1,0,0,0,0|1,0,1]=4 815 B13R1.528 O=C(CO)NCc1ccccc1O 527a_100000185550_100000210174 [1,1,0,0,0,0|1,0,1]=4 816 B13R1.893 CC(=O)C=Cc1cc(ccc1Br)F 1458a_100102525183_200000210301 [1,1,0,0,0,0|2,0,0]=4 817 B13R1.893 CC(=O)C=Cc1cc(ccc1Cl)Cl 1458a_100000234794_200000210301 [1,1,0,0,0,0|2,0,0]=4 818 B13R1.893 CC(=O)C=Cc1cc(ccc1F)Br 1458a_100000718207_200000210301 [1,1,0,0,0,0|2,0,0]=4 819 B13R1.893 CC(=O)C=Cc1cc(ccc1F)C 1458a_100102526132_200000210301 [1,1,0,0,0,0|2,0,0]=4 820 B13R1.893 CC(=O)C=Cc1cc(ccc1F)F 1458a_100000744626_200000210301 [1,1,0,0,0,0|2,0,0]=4 821 B13R1.893 CC(O)C=Cc1cc(ccc1O)Br 271570a_200011019289_100012355227 [1,1,0,0,0,0|1,0,1]=4 822 B13R1.893 CC(O)C=Cc1cc(ccc1O)Cl 271570a_200011019289_100011356953 [1,1,0,0,0,0|1,0,1]=4 823 B13R1.893 CC(O)C=Cc1cc(ccc1O)F 271570a_200011019289_100000211999 [1,1,0,0,0,0|1,0,1]=4 824 B13R1.893 CC(O)C=Cc1cc(ccc1O)N 271570a_200011019289_100011534360 [1,1,0,0,0,0|1,0,1]=4 825 B13R1.893 CC(O)C=Cc1cc(ccc1O)O 271570a_200011019289_100009813629 [1,1,0,0,0,0|1,0,1]=4 826 B13R1.893 Cc1ccc(c(c1)C=CC(=O)[13CH3])F 1458a_100102526132_200025704644 [1,1,0,0,0,0|2,0,0]=4 827 B13R1.893 Cc1ccc(c(c1)C=CC(C)O)O 271570a_200011019289_100000765521 [1,1,0,0,0,0|1,0,1]=4 828 B13R1.893 [13CH3]C(=O)C=Cc1cc(ccc1Br)F 1458a_100102525183_200025704644 [1,1,0,0,0,0|2,0,0]=4 829 B13R1.893 [13CH3]C(=O)C=Cc1cc(ccc1Cl)Cl 1458a_100000234794_200025704644 [1,1,0,0,0,0|2,0,0]=4 830 B13R1.893 [13CH3]C(=O)C=Cc1cc(ccc1F)Br 1458a_100000718207_200025704644 [1,1,0,0,0,0|2,0,0]=4 831 B13R1.893 [13CH3]C(=O)C=Cc1cc(ccc1F)F 1458a_100000744626_200025704644 [1,1,0,0,0,0|2,0,0]=4 832 B13R1.3787 CC(=O)C=Cc1c(cccc1Cl)Cl 1458a_100000185082_200000210301 [1,1,0,0,0,0|2,0,0]=4 833 B13R1.3787 CC(=O)C=Cc1c(cccc1Cl)F 1458a_100016278423_200000210301 [1,1,0,0,0,0|2,0,0]=4 834 B13R1.3787 CC(=O)C=Cc1c(cccc1F)F 1458a_100000738813_200000210301 [1,1,0,0,0,0|2,0,0]=4 835 B13R1.3787 CC(O)C=Cc1c(cccc1Br)O 271570a_200011019289_100010187912 [1,1,0,0,0,0|1,0,1]=4 836 B13R1.3787 CC(O)C=Cc1c(cccc1Cl)O 271570a_200011019289_100000050174 [1,1,0,0,0,0|1,0,1]=4 837 B13R1.3787 CC(O)C=Cc1c(cccc1F)O 271570a_200011019289_100009820682 [1,1,0,0,0,0|1,0,1]=4 838 B13R1.3787 CC(O)C=Cc1c(cccc1O)N 271570a_200011019289_100012183704 [1,1,0,0,0,0|1,0,1]=4 839 B13R1.3787 CC(O)C=Cc1c(cccc1O)O 271570a_200011019289_100010205330 [1,1,0,0,0,0|1,0,1]=4 840 B13R1.3787 Cc1cccc(c1C=CC(C)O)O 271570a_200011019289_100000686692 [1,1,0,0,0,0|1,0,1]=4 841 B13R1.3787 [13CH3]C(=O)C=Cc1c(cccc1Cl)Cl 1458a_100000185082_200025704644 [1,1,0,0,0,0|2,0,0]=4 842 B13R1.3787 [13CH3]C(=O)C=Cc1c(cccc1Cl)F 1458a_100016278423_200025704644 [1,1,0,0,0,0|2,0,0]=4 843 B13R1.3787 [13CH3]C(=O)C=Cc1c(cccc1F)F 1458a_100000738813_200025704644 [1,1,0,0,0,0|2,0,0]=4 844 B13R1.51 CC(=Cc1ccc(cc1CO)O)C 271570a_100102525489_100012351483 [0,1,0,0,1,0|2,0,0]=4 845 B13R1.51 COc1cc(ccc1C=C(C)C)O 271570a_100102525489_100011827694 [0,1,0,0,1,0|2,0,0]=4 846 B13R1.51 COc1cc(ccc1NC(=O)C)O 22a_100015326901_100000070787 [0,1,0,0,1,0|2,0,0]=4 847 B13R1.51 COc1cc(ccc1NC(=O)C)O 271570a_203496583355_100009813048 [0,1,0,0,1,0|2,0,0]=4 848 B13R1.51 COc1cc(ccc1NC(=O)C)O 527a_100015326901_100103153847 [0,1,0,0,1,0|2,0,0]=4 849 B13R1.163 CC(=C(C)c1ccc(cc1O)O)C 271570a_200000049429_100009813921 [0,1,0,0,1,0|2,0,0]=4 850 B13R1.653 CC(=Cc1ccc(cc1O)CO)C 271570a_100102525489_100000049605 [0,1,0,0,1,0|2,0,0]=4 851 B13R1.653 COc1ccc(c(c1)O)C=C(C)C 271570a_100102525489_100000719091 [0,1,0,0,1,0|2,0,0]=4 852 B13R1.653 COc1ccc(c(c1)O)NC(=O)C 22a_100016989039_100000070787 [0,1,0,0,1,0|2,0,0]=4 853 B13R1.653 COc1ccc(c(c1)O)NC(=O)C 527a_100016989039_100103153847 [0,1,0,0,1,0|2,0,0]=4 854 B13R1.2808 CC(=Cc1c(cc(cc1O)O)O)C 271570a_100102525489_200010341185 [0,1,0,0,1,0|2,0,0]=4 855 B15R1.3836 CCC(=O)NN=Cc1ccc(cc1O)O 4a_100000183195_100000212098 [0,1,0,0,0,1|2,0,0]=4 856 B15R1.3836 COC(=O)CCNc1ccc(cc1O)O 34a_100000106777_100000742370 [0,1,0,0,0,1|0,0,2]=4 857 B15R1.3836 COC(=O)CCSc1ccc(cc1O)O 62a_100000204255_100009813921 [0,1,0,0,0,1|0,0,2]=4 858 B15R1.4581 COc1ccc(c(c1)O)C=NNC(=O)C 4a_100000189765_100000235862 [0,1,0,0,0,1|2,0,0]=4 859 B15R1.5822 CC(=CCC(=O)c1ccc(cc1O)O)C 1458a_100000212172_100000761012 [0,1,0,0,0,1|2,0,0]=4 860 B15R1.5822 CC(=O)NN=C(C)c1ccc(cc1O)O 4a_100000189765_100000189368 [0,1,0,0,0,1|2,0,0]=4 861 B15R1.5822 CC(=O)NNC(=O)c1ccc(cc1O)O 22a_100000189765_100000212172 [0,1,0,0,0,1|2,0,0]=4 862 B15R1.5823 CC(=O)C(=O)CNc1ccc(cc1O)O 34a_100000106777_100011261029 [0,1,0,0,0,1|1,0,1]=4 863 B15R1.5823 CC(=O)C(=O)CSc1ccc(cc1O)O 62a_100011261029_100009813921 [0,1,0,0,0,1|1,0,1]=4 864 B15R1.8398 CC(=O)NN=Cc1cc(c(cc1O)O)Br 4a_100000189765_200010132312 [0,1,0,0,0,1|2,0,0]=4 865 B15R1.8398 CC(=O)NN=Cc1cc(c(cc1O)O)C 4a_100000189765_100010619579 [0,1,0,0,0,1|2,0,0]=4 866 B15R1.8398 CC(=O)NN=Cc1cc(c(cc1O)O)Cl 4a_100000189765_100009887980 [0,1,0,0,0,1|2,0,0]=4 867 B15R1.8398 CC(=O)NN=Cc1cc(c(cc1O)O)O 4a_100000189765_100000042415 [0,1,0,0,0,1|2,0,0]=4 868 B15R1.8409 CC(=O)NN=Cc1ccc(c(c1O)C)O 4a_100000189765_100000075161 [0,1,0,0,0,1|2,0,0]=4 869 B15R1.8409 CC(=O)NN=Cc1ccc(c(c1O)O)O 4a_100000189765_100000212131 [0,1,0,0,0,1|2,0,0]=4 870 B15R1.8426 CC(=CC(=O)Nc1ccc(cc1O)O)C 22a_100000106777_100000211388 [0,1,0,0,0,1|2,0,0]=4 871 B15R1.8426 CC(=CC(=O)Nc1ccc(cc1O)O)Cl 22a_100000106777_200042562850 [0,1,0,0,0,1|2,0,0]=4 872 B15R1.8426 NC(=O)CC(=O)Nc1ccc(cc1O)O 22a_100000106777_100134613110 [0,1,0,0,0,1|1,0,1]=4 873 B15R1.8426 NC(=O)CC(=O)Nc1ccc(cc1O)O 527a_100000106777_100134613110 [0,1,0,0,0,1|1,0,1]=4 874 B15R1.13063 COc1cc(ccc1C=NNC(=O)C)O 4a_100000189765_100000022264 [0,1,0,0,0,1|2,0,0]=4 875 B15R1.25387 CC(=O)NN=Cc1c(cc(cc1O)O)C 4a_100000189765_100000055135 [0,1,0,0,0,1|2,0,0]=4 876 B15R1.25387 CC(=O)NN=Cc1c(cc(cc1O)O)O 4a_100000189765_100000039965 [0,1,0,0,0,1|2,0,0]=4 877 B15R1.1854 COc1ccc(c(c1)O)C(=O)CC(=O)N 1458a_100000212123_100000187820 [0,2,0,0,0,0|1,0,1]=4 878 B15R1.1854 COc1ccc(c(c1)O)C(=O)CC(=O)[O-] 1458a_100000212123_100020667443 [0,2,0,0,0,0|0,0,2]=4 879 B15R1.1855 COc1ccc(c(c1)O)NC(=O)C(=O)N 22a_100016989039_100011215815 [0,2,0,0,0,0|2,0,0]=4 880 B15R1.1856 C=Cc1ccc(c(c1)F)/C=C/C(=O)OC 271570a_100011290941_100102763825 [0,2,0,0,0,0|2,0,0]=4 881 B15R1.1856 CCC(=O)C=Cc1ccc(cc1F)OC 1458a_200102525171_100000210202 [0,2,0,0,0,0|2,0,0]=4 882 B15R1.1856 CCC(=O)C=Cc1ccc(cc1I)OC 6a_100010159643_100000211110 [0,2,0,0,0,0|2,0,0]=4 883 B15R1.1856 CNC(=O)C=Cc1ccc(cc1C)OC 11a_106832991635_100102882216 [0,2,0,0,0,0|2,0,0]=4 884 B15R1.1856 CNC(=O)C=Cc1ccc(cc1C)OC 1626a_100102657272_100102882216 [0,2,0,0,0,0|2,0,0]=4 885 B15R1.1856 CNC(=O)C=Cc1ccc(cc1F)OC 11a_106832991635_200102525171 [0,2,0,0,0,0|2,0,0]=4 886 B15R1.1856 CNC(=O)C=Cc1ccc(cc1F)OC 1626a_100102657272_200102525171 [0,2,0,0,0,0|2,0,0]=4 887 B15R1.1856 COC(=O)/C=C/c1ccc(cc1F)SC 62a_100102763825_200000210301 [0,2,0,0,0,0|1,1,0]=4 888 B15R1.1856 COC(=O)/C=C/c1ccc(cc1F)SC 62a_200000210301_100102763825 [0,2,0,0,0,0|1,1,0]=4 889 B15R1.1856 COC(=O)/C=C/c1ccc(cc1F)S[13CH3] 62a_100102763825_200025704644 [0,2,0,0,0,0|1,1,0]=4 890 B15R1.1856 COC(=O)/C=C/c1ccc(cc1F)S[13CH3] 62a_200025704644_100102763825 [0,2,0,0,0,0|1,1,0]=4 891 B15R1.1856 COC(=O)CNc1ccc(cc1O)OC 34a_100016989039_100000747449 [0,2,0,0,0,0|1,0,1]=4 892 B15R1.1856 COC(=O)CSc1ccc(cc1O)CO 62a_100000049605_100000747449 [0,2,0,0,0,0|1,0,1]=4 893 B15R1.1856 COC(=O)CSc1ccc(cc1O)CO 62a_100000747449_100000049605 [0,2,0,0,0,0|1,0,1]=4 894 B15R1.1856 COC(=O)CSc1ccc(cc1O)OC 62a_100000747449_100000719091 [0,2,0,0,0,0|1,0,1]=4 895 B15R1.1856 COc1ccc(c(c1)F)C=CC(=O)CF 1458a_200102525171_100015361967 [0,2,0,0,0,0|2,0,0]=4 896 B15R1.1856 COc1ccc(c(c1)I)C=CC(=O)CBr 6a_100010159643_100009888967 [0,2,0,0,0,0|2,0,0]=4 897 B15R1.1856 COc1ccc(c(c1)I)C=CC(=O)CCl 6a_100010159643_100000086384 [0,2,0,0,0,0|2,0,0]=4 898 B15R1.1856 COc1ccc(c(c1)I)C=CC(=O)CF 6a_100010159643_100000764096 [0,2,0,0,0,0|2,0,0]=4 899 B15R1.1904 COc1cc(ccc1C=CC(C)O)CO 271570a_200011019289_100010234685 [0,2,0,0,0,0|1,0,1]=4 900 B15R1.1904 COc1ccc(c(c1)CO)C=CC(C)O 271570a_200011019289_200011273942 [0,2,0,0,0,0|1,0,1]=4 901 B15R1.1904 COc1ccc(c(c1)OC)C=CC(=O)C 1458a_100000211080_200000210301 [0,2,0,0,0,0|1,0,0]=3 902 B15R1.1904 COc1ccc(c(c1)OC)C=CC(=O)[13CH3] 1458a_100000211080_200025704644 [0,2,0,0,0,0|1,0,0]=3 903 B15R1.1904 COc1ccc(c(c1)OC)C=CC(C)O 271570a_200011019289_100000750026 [0,2,0,0,0,0|1,0,1]=4 904 B15R1.4578 CC(C)(O)C=Cc1ccc(cc1O)CO 271570a_200016258132_100000049605 [0,2,0,0,0,0|1,0,1]=4 905 B15R1.4578 COc1ccc(c(c1)O)C=CC(C)(C)O 271570a_200016258132_100000719091 [0,2,0,0,0,0|1,0,1]=4 906 B15R1.791 C=COC(=O)CNc1ccc(cc1O)O 34a_100000106777_100000036128 [0,2,0,0,0,0|1,0,1]=4 907 B15R1.791 C=COC(=O)CSc1ccc(cc1O)O 62a_100000036128_100009813921 [0,2,0,0,0,0|1,0,1]=4 908 B15R1.791 CCCC(=O)C=Cc1ccc(cc1I)O 6a_100000051608_100011215381 [0,2,0,0,0,0|2,0,0]=4 909 B15R1.791 CCCC(=O)C=Cc1ccc(cc1O)I 6a_100000050530_100011215381 [0,2,0,0,0,0|2,0,0]=4 910 B15R1.791 CCOC(=O)/C=C/c1ccc(cc1F)O 271570a_203496583355_200041487666 [0,2,0,0,0,0|1,0,0]=3 911 B15R1.791 CCOC(=O)C=Cc1ccc(cc1Br)Br 271570a_100010199719_100011484698 [0,2,0,0,0,0|2,0,0]=4 912 B15R1.791 CCOC(=O)C=Cc1ccc(cc1Br)C 271570a_100010199719_100009813563 [0,2,0,0,0,0|2,0,0]=4 913 B15R1.791 CCOC(=O)C=Cc1ccc(cc1Br)Cl 271570a_100010199719_100011219703 [0,2,0,0,0,0|2,0,0]=4 914 B15R1.791 CCOC(=O)C=Cc1ccc(cc1Br)F 271570a_100010199719_100011217111 [0,2,0,0,0,0|2,0,0]=4 915 B15R1.791 CCOC(=O)C=Cc1ccc(cc1Br)N 271570a_100010199719_100000750458 [0,2,0,0,0,0|2,0,0]=4 916 B15R1.791 CCOC(=O)C=Cc1ccc(cc1Br)O 271570a_100010199719_100000701344 [0,2,0,0,0,0|1,0,0]=3 917 B15R1.791 CCOC(=O)C=Cc1ccc(cc1C)Br 271570a_100010199719_100000701812 [0,2,0,0,0,0|2,0,0]=4 918 B15R1.791 CCOC(=O)C=Cc1ccc(cc1C)C 271570a_100010199719_100011217332 [0,2,0,0,0,0|2,0,0]=4 919 B15R1.791 CCOC(=O)C=Cc1ccc(cc1C)Cl 271570a_100010199719_100011219607 [0,2,0,0,0,0|2,0,0]=4 920 B15R1.791 CCOC(=O)C=Cc1ccc(cc1C)F 271570a_100010199719_100011205405 [0,2,0,0,0,0|2,0,0]=4 921 B15R1.791 CCOC(=O)C=Cc1ccc(cc1C)N 271570a_100010199719_100000210723 [0,2,0,0,0,0|2,0,0]=4 922 B15R1.791 CCOC(=O)C=Cc1ccc(cc1C)O 271570a_100010199719_100000729255 [0,2,0,0,0,0|1,0,0]=3 923 B15R1.791 CCOC(=O)C=Cc1ccc(cc1Cl)Br 271570a_100010199719_100011216062 [0,2,0,0,0,0|2,0,0]=4 924 B15R1.791 CCOC(=O)C=Cc1ccc(cc1Cl)C 271570a_100010199719_100011263221 [0,2,0,0,0,0|2,0,0]=4 925 B15R1.791 CCOC(=O)C=Cc1ccc(cc1Cl)Cl 271570a_100010199719_100000699841 [0,2,0,0,0,0|2,0,0]=4 926 B15R1.791 CCOC(=O)C=Cc1ccc(cc1Cl)F 271570a_100010199719_100000733362 [0,2,0,0,0,0|2,0,0]=4 927 B15R1.791 CCOC(=O)C=Cc1ccc(cc1Cl)N 271570a_100010199719_100000761885 [0,2,0,0,0,0|2,0,0]=4 928 B15R1.791 CCOC(=O)C=Cc1ccc(cc1Cl)O 271570a_100010199719_100000047559 [0,2,0,0,0,0|1,0,0]=3 929 B15R1.791 CCOC(=O)C=Cc1ccc(cc1F)Br 271570a_100010199719_100009814013 [0,2,0,0,0,0|2,0,0]=4 930 B15R1.791 CCOC(=O)C=Cc1ccc(cc1F)C 271570a_100010199719_100011216119 [0,2,0,0,0,0|2,0,0]=4 931 B15R1.791 CCOC(=O)C=Cc1ccc(cc1F)Cl 271570a_100010199719_100011216042 [0,2,0,0,0,0|2,0,0]=4 932 B15R1.791 CCOC(=O)C=Cc1ccc(cc1F)F 271570a_100010199719_100000750030 [0,2,0,0,0,0|2,0,0]=4 933 B15R1.791 CCOC(=O)C=Cc1ccc(cc1F)N 271570a_100010199719_100011356925 [0,2,0,0,0,0|2,0,0]=4 934 B15R1.791 CCOC(=O)C=Cc1ccc(cc1F)O 271570a_100010199719_100000755031 [0,2,0,0,0,0|1,0,0]=3 935 B15R1.791 CCOC(=O)C=Cc1ccc(cc1N)Br 271570a_100010199719_100000743836 [0,2,0,0,0,0|2,0,0]=4 936 B15R1.791 CCOC(=O)C=Cc1ccc(cc1N)C 271570a_100010199719_100011216686 [0,2,0,0,0,0|2,0,0]=4 937 B15R1.791 CCOC(=O)C=Cc1ccc(cc1N)Cl 271570a_100010199719_100000761886 [0,2,0,0,0,0|2,0,0]=4 938 B15R1.791 CCOC(=O)C=Cc1ccc(cc1N)F 271570a_100010199719_100011218093 [0,2,0,0,0,0|2,0,0]=4 939 B15R1.791 CCOC(=O)C=Cc1ccc(cc1N)N 271570a_100010199719_200012175722 [0,2,0,0,0,0|2,0,0]=4 940 B15R1.791 CCOC(=O)C=Cc1ccc(cc1N)O 271570a_100010199719_100011999798 [0,2,0,0,0,0|1,0,0]=3 941 B15R1.791 CCOC(=O)C=Cc1ccc(cc1O)Br 271570a_100010199719_100012344904 [0,2,0,0,0,0|1,0,0]=3 942 B15R1.791 CCOC(=O)C=Cc1ccc(cc1O)C 271570a_100010199719_100012002257 [0,2,0,0,0,0|1,0,0]=3 943 B15R1.791 CCOC(=O)C=Cc1ccc(cc1O)Cl 271570a_100010199719_100000050036 [0,2,0,0,0,0|1,0,0]=3 944 B15R1.791 CCOC(=O)C=Cc1ccc(cc1O)F 271570a_100010199719_100000690578 [0,2,0,0,0,0|1,0,0]=3 945 B15R1.791 CCOC(=O)C=Cc1ccc(cc1O)O 271570a_100010199719_100009813921 [0,2,0,0,0,0|0,0,0]=2 946 B15R1.791 CCOC(=O)C=Cc1ccc(nc1C)O 271570a_100010199719_100000691680 [0,2,0,0,0,0|2,0,0]=4 947 B15R1.791 CCOC(=O)C=Cc1ccc(nc1F)O 271570a_100010199719_100009879308 [0,2,0,0,0,0|2,0,0]=4 948 B15R1.791 CCOC(=O)C=Cc1ccc(nc1O)C 271570a_100010199719_100009817604 [0,2,0,0,0,0|2,0,0]=4 949 B15R1.791 CCOC(=O)C=Cc1cnc(cc1C)O 271570a_100010199719_100010114363 [0,2,0,0,0,0|2,0,0]=4 950 B15R1.791 CCOC(=O)C=Cc1cnc(cc1O)C 271570a_100010199719_100011016184 [0,2,0,0,0,0|2,0,0]=4 951 B15R1.791 CCOC(=O)C=Cc1ncc(cc1C)O 271570a_100010199719_100012000486 [0,2,0,0,0,0|2,0,0]=4 952 B15R1.791 CCOC(=O)C=Cc1ncc(cc1F)O 271570a_100010199719_100000063512 [0,2,0,0,0,0|2,0,0]=4 953 B15R1.791 CCOC(=O)C=Cc1ncc(cc1O)Br 271570a_100010199719_100010210634 [0,2,0,0,0,0|2,0,0]=4 954 B15R1.791 CCOC(=O)C=Cc1ncc(cc1O)C 271570a_100010199719_100012000487 [0,2,0,0,0,0|2,0,0]=4 955 B15R1.791 CCOC(=O)C=Cc1ncc(cc1O)Cl 271570a_100010199719_100010233512 [0,2,0,0,0,0|2,0,0]=4 956 B15R1.791 CCOC(=O)C=Cc1ncc(cc1O)F 271570a_100010199719_100000079967 [0,2,0,0,0,0|2,0,0]=4 957 B15R1.791 CCOC(=O)CNc1ccc(cc1O)O 34a_100000106777_100000188475 [0,2,0,0,0,0|1,0,1]=4 958 B15R1.791 CCOC(=O)CSc1ccc(cc1O)O 62a_100000188475_100009813921 [0,2,0,0,0,0|1,0,1]=4 959 B15R1.791 CNNC(=O)C=Cc1ccc(cc1C)O 22a_100016993582_200132309679 [0,2,0,0,0,0|2,0,0]=4 960 B15R1.791 COCC(=O)C=Cc1ccc(cc1Br)I 6a_100010185650_100000211753 [0,2,0,0,0,0|2,0,0]=4 961 B15R1.791 COCC(=O)C=Cc1ccc(cc1Cl)I 6a_100000727542_100000211753 [0,2,0,0,0,0|2,0,0]=4 962 B15R1.791 COCC(=O)C=Cc1ccc(cc1F)Br 6a_100000211676_100000211753 [0,2,0,0,0,0|2,0,0]=4 963 B15R1.791 COCC(=O)C=Cc1ccc(cc1F)C 6a_100011217368_100000211753 [0,2,0,0,0,0|2,0,0]=4 964 B15R1.791 COCC(=O)C=Cc1ccc(cc1F)F 6a_100000211964_100000211753 [0,2,0,0,0,0|2,0,0]=4 965 B15R1.791 COCC(=O)C=Cc1ccc(cc1F)I 6a_100000050965_100000211753 [0,2,0,0,0,0|2,0,0]=4 966 B15R1.791 COCC(=O)C=Cc1ccc(cc1I)Br 6a_100010146562_100000211753 [0,2,0,0,0,0|2,0,0]=4 967 B15R1.791 COCC(=O)C=Cc1ccc(cc1I)C 6a_100010150104_100000211753 [0,2,0,0,0,0|2,0,0]=4 968 B15R1.791 COCC(=O)C=Cc1ccc(cc1I)F 6a_100010254405_100000211753 [0,2,0,0,0,0|2,0,0]=4 969 B15R1.791 COCC(=O)C=Cc1ccc(cc1I)O 6a_100000051608_100000211753 [0,2,0,0,0,0|1,0,0]=3 970 B15R1.791 COCC(=O)C=Cc1ccc(cc1O)I 6a_100000050530_100000211753 [0,2,0,0,0,0|1,0,0]=3 971 B15R1.791 CSCC(=O)C=Cc1ccc(cc1I)O 6a_100000051608_100011216314 [0,2,0,0,0,0|1,1,0]=4 972 B15R1.791 CSCC(=O)C=Cc1ccc(cc1O)I 6a_100000050530_100011216314 [0,2,0,0,0,0|1,1,0]=4 973 B15R1.791 N#CCC(=O)C=Cc1ccc(cc1I)O 6a_100000051608_100000184835 [0,2,0,0,0,0|2,0,0]=4 974 B15R1.791 N#CCC(=O)C=Cc1ccc(cc1O)I 6a_100000050530_100000184835 [0,2,0,0,0,0|2,0,0]=4 975 B15R1.791 O=C(C=Cc1ccc(cc1Br)F)CCO 1458a_200102591336_100000211926 [0,2,0,0,0,0|2,0,0]=4 976 B15R1.791 O=C(C=Cc1ccc(cc1Cl)Br)CCO 1458a_100102525105_100000211926 [0,2,0,0,0,0|2,0,0]=4 977 B15R1.791 O=C(C=Cc1ccc(cc1Cl)Cl)CCO 1458a_100016270030_100000211926 [0,2,0,0,0,0|2,0,0]=4 978 B15R1.791 O=C(C=Cc1ccc(cc1Cl)F)CCO 1458a_200102525072_100000211926 [0,2,0,0,0,0|2,0,0]=4 979 B15R1.791 O=C(C=Cc1ccc(cc1F)Br)CCO 1458a_100011214948_100000211926 [0,2,0,0,0,0|2,0,0]=4 980 B15R1.791 O=C(C=Cc1ccc(cc1F)Cl)CCO 1458a_100102561868_100000211926 [0,2,0,0,0,0|2,0,0]=4 981 B15R1.791 O=C(C=Cc1ccc(cc1F)F)CCO 1458a_100011195072_100000211926 [0,2,0,0,0,0|2,0,0]=4 982 B15R1.791 O=C(C=Cc1ccc(cc1I)O)CCBr 6a_100000051608_100011261029 [0,2,0,0,0,0|2,0,0]=4 983 B15R1.791 O=C(C=Cc1ccc(cc1I)O)CCCl 6a_100000051608_100000053229 [0,2,0,0,0,0|2,0,0]=4 984 B15R1.791 O=C(C=Cc1ccc(cc1O)I)CCBr 6a_100000050530_100011261029 [0,2,0,0,0,0|2,0,0]=4 985 B15R1.791 O=C(C=Cc1ccc(cc1O)I)CCCl 6a_100000050530_100000053229 [0,2,0,0,0,0|2,0,0]=4 986 B15R1.791 O=C(CCO)CCc1ccc(cc1O)O 1458a_100000041388_100000211926 [0,2,0,0,0,0|0,0,2]=4 987 B15R1.791 O=C(CSc1ccc(cc1O)O)NCO 62a_100000185155_100009813921 [0,2,0,0,0,0|1,0,1]=4 988 B15R1.10256 C#CC(=O)CC(=O)c1ccc(cc1O)O 1458a_100000211873_100009814262 [0,2,0,0,0,0|1,0,1]=4 989 B15R1.10256 C=CC(=O)CC(=O)c1ccc(cc1O)O 1458a_100000185746_100009814262 [0,2,0,0,0,0|1,0,1]=4 990 B15R1.10256 CCC(=O)CC(=O)c1ccc(cc1O)O 1458a_100000210414_100009814262 [0,2,0,0,0,0|1,0,1]=4 991 B15R1.10256 CCC(=O)CC(=O)c1ccc(cc1O)O 1458a_100000212172_100000747405 [0,2,0,0,0,0|1,0,1]=4 992 B15R1.10256 CNC(=O)CC(=O)c1ccc(cc1O)O 1458a_100000212172_100000183359 [0,2,0,0,0,0|1,0,1]=4 993 B15R1.10256 COC(=O)CC(=O)c1ccc(cc1Br)O 1458a_100012344906_100000747449 [0,2,0,0,0,0|1,0,1]=4 994 B15R1.10256 COC(=O)CC(=O)c1ccc(cc1C)O 1458a_100000692822_100000747449 [0,2,0,0,0,0|1,0,1]=4 995 B15R1.10256 COC(=O)CC(=O)c1ccc(cc1Cl)O 1458a_100000702456_100000747449 [0,2,0,0,0,0|1,0,1]=4 996 B15R1.10256 COC(=O)CC(=O)c1ccc(cc1F)O 1458a_100000689029_100000747449 [0,2,0,0,0,0|1,0,1]=4 997 B15R1.10256 COC(=O)CC(=O)c1ccc(cc1O)Br 1458a_100000744433_100000747449 [0,2,0,0,0,0|1,0,1]=4 998 B15R1.10256 COC(=O)CC(=O)c1ccc(cc1O)C 1458a_100000212137_100000747449 [0,2,0,0,0,0|1,0,1]=4 999 B15R1.10256 COC(=O)CC(=O)c1ccc(cc1O)Cl 1458a_100000188622_100000747449 [0,2,0,0,0,0|1,0,1]=4 1000 B15R1.10256 COC(=O)CC(=O)c1ccc(cc1O)F 1458a_100000746061_100000747449 [0,2,0,0,0,0|1,0,1]=4 1001 B15R1.10256 COC(=O)CC(=O)c1ccc(cc1O)I 1458a_100000091984_100000747449 [0,2,0,0,0,0|1,0,1]=4 1002 B15R1.10256 COC(=O)CC(=O)c1ccc(cc1O)O 1458a_100000212172_100000747449 [0,2,0,0,0,0|0,0,1]=3 1003 B15R1.10256 O=C(CO)CC(=O)c1ccc(cc1O)F 1458a_100000210174_100009817053 [0,2,0,0,0,0|1,0,1]=4 1004 B15R1.10256 O=C(CO)CC(=O)c1ccc(cc1O)O 1458a_100000210174_100009814262 [0,2,0,0,0,0|0,0,1]=3 1005 B15R1.11472 CCC(=O)C=Cc1cc(c(cc1F)O)Cl 6a_100000700858_100000211110 [0,2,0,0,0,0|2,0,0]=4 1006 B15R1.11472 CCC(=O)C=Cc1cc(c(cc1F)O)F 6a_200000061741_100000211110 [0,2,0,0,0,0|2,0,0]=4 1007 B15R1.11472 CCC(=O)C=Cc1cc(c(cc1O)Br)F 6a_200010762562_100000211110 [0,2,0,0,0,0|2,0,0]=4 1008 B15R1.11472 CCC(=O)C=Cc1cc(c(cc1O)C)Cl 6a_100000035296_100000211110 [0,2,0,0,0,0|2,0,0]=4 1009 B15R1.11472 CCC(=O)C=Cc1cc(c(cc1O)Cl)Cl 6a_100000084385_100000211110 [0,2,0,0,0,0|2,0,0]=4 1010 B15R1.11472 CCC(=O)C=Cc1cc(c(cc1O)Cl)F 6a_100010264020_100000211110 [0,2,0,0,0,0|2,0,0]=4 1011 B15R1.11472 CCC(=O)C=Cc1cc(c(cc1O)F)Br 6a_100010175118_100000211110 [0,2,0,0,0,0|2,0,0]=4 1012 B15R1.11472 CCC(=O)C=Cc1cc(c(cc1O)F)F 6a_100000050968_100000211110 [0,2,0,0,0,0|2,0,0]=4 1013 B15R1.11472 Cc1cc(c(cc1Cl)C=CC(=O)CBr)O 6a_100000035296_100009888967 [0,2,0,0,0,0|2,0,0]=4 1014 B15R1.11472 Cc1cc(c(cc1Cl)C=CC(=O)CCl)O 6a_100000035296_100000086384 [0,2,0,0,0,0|2,0,0]=4 1015 B15R1.11472 Cc1cc(c(cc1Cl)C=CC(=O)CF)O 6a_100000035296_100000764096 [0,2,0,0,0,0|2,0,0]=4 1016 B15R1.11472 O=C(C=Cc1cc(c(cc1F)O)Cl)CBr 6a_100000700858_100009888967 [0,2,0,0,0,0|2,0,0]=4 1017 B15R1.11472 O=C(C=Cc1cc(c(cc1F)O)Cl)CCl 6a_100000700858_100000086384 [0,2,0,0,0,0|2,0,0]=4 1018 B15R1.11472 O=C(C=Cc1cc(c(cc1F)O)Cl)CF 6a_100000700858_100000764096 [0,2,0,0,0,0|2,0,0]=4 1019 B15R1.11472 O=C(C=Cc1cc(c(cc1F)O)F)CBr 6a_200000061741_100009888967 [0,2,0,0,0,0|2,0,0]=4 1020 B15R1.11472 O=C(C=Cc1cc(c(cc1F)O)F)CCl 6a_200000061741_100000086384 [0,2,0,0,0,0|2,0,0]=4 1021 B15R1.11472 O=C(C=Cc1cc(c(cc1F)O)F)CF 6a_200000061741_100000764096 [0,2,0,0,0,0|2,0,0]=4 1022 B15R1.11472 O=C(C=Cc1cc(c(cc1O)Br)F)CBr 6a_200010762562_100009888967 [0,2,0,0,0,0|2,0,0]=4 1023 B15R1.11472 O=C(C=Cc1cc(c(cc1O)Br)F)CCl 6a_200010762562_100000086384 [0,2,0,0,0,0|2,0,0]=4 1024 B15R1.11472 O=C(C=Cc1cc(c(cc1O)Br)F)CF 6a_200010762562_100000764096 [0,2,0,0,0,0|2,0,0]=4 1025 B15R1.11472 O=C(C=Cc1cc(c(cc1O)Cl)Cl)CBr 6a_100000084385_100009888967 [0,2,0,0,0,0|2,0,0]=4 1026 B15R1.11472 O=C(C=Cc1cc(c(cc1O)Cl)Cl)CCl 6a_100000084385_100000086384 [0,2,0,0,0,0|2,0,0]=4 1027 B15R1.11472 O=C(C=Cc1cc(c(cc1O)Cl)Cl)CF 6a_100000084385_100000764096 [0,2,0,0,0,0|2,0,0]=4 1028 B15R1.11472 O=C(C=Cc1cc(c(cc1O)Cl)F)CBr 6a_100010264020_100009888967 [0,2,0,0,0,0|2,0,0]=4 1029 B15R1.11472 O=C(C=Cc1cc(c(cc1O)Cl)F)CCl 6a_100010264020_100000086384 [0,2,0,0,0,0|2,0,0]=4 1030 B15R1.11472 O=C(C=Cc1cc(c(cc1O)Cl)F)CF 6a_100010264020_100000764096 [0,2,0,0,0,0|2,0,0]=4 1031 B15R1.11472 O=C(C=Cc1cc(c(cc1O)F)Br)CBr 6a_100010175118_100009888967 [0,2,0,0,0,0|2,0,0]=4 1032 B15R1.11472 O=C(C=Cc1cc(c(cc1O)F)Br)CCl 6a_100010175118_100000086384 [0,2,0,0,0,0|2,0,0]=4 1033 B15R1.11472 O=C(C=Cc1cc(c(cc1O)F)Br)CF 6a_100010175118_100000764096 [0,2,0,0,0,0|2,0,0]=4 1034 B15R1.11472 O=C(C=Cc1cc(c(cc1O)F)F)CBr 6a_100000050968_100009888967 [0,2,0,0,0,0|2,0,0]=4 1035 B15R1.11472 O=C(C=Cc1cc(c(cc1O)F)F)CCl 6a_100000050968_100000086384 [0,2,0,0,0,0|2,0,0]=4 1036 B15R1.11472 O=C(C=Cc1cc(c(cc1O)F)F)CF 6a_100000050968_100000764096 [0,2,0,0,0,0|2,0,0]=4 1037 B15R1.11473 CCC(=O)C=Cc1ccc(c(c1F)F)O 6a_100011830433_100000211110 [0,2,0,0,0,0|2,0,0]=4 1038 B15R1.11473 CCC(=O)C=Cc1ccc(c(c1O)F)F 6a_100012017224_100000211110 [0,2,0,0,0,0|2,0,0]=4 1039 B15R1.11473 O=C(C=Cc1ccc(c(c1F)F)O)CBr 6a_100011830433_100009888967 [0,2,0,0,0,0|2,0,0]=4 1040 B15R1.11473 O=C(C=Cc1ccc(c(c1F)F)O)CCl 6a_100011830433_100000086384 [0,2,0,0,0,0|2,0,0]=4 1041 B15R1.11473 O=C(C=Cc1ccc(c(c1F)F)O)CF 6a_100011830433_100000764096 [0,2,0,0,0,0|2,0,0]=4 1042 B15R1.11473 O=C(C=Cc1ccc(c(c1O)F)F)CBr 6a_100012017224_100009888967 [0,2,0,0,0,0|2,0,0]=4 1043 B15R1.11473 O=C(C=Cc1ccc(c(c1O)F)F)CCl 6a_100012017224_100000086384 [0,2,0,0,0,0|2,0,0]=4 1044 B15R1.11473 O=C(C=Cc1ccc(c(c1O)F)F)CF 6a_100012017224_100000764096 [0,2,0,0,0,0|2,0,0]=4 1045 B15R1.13065 CCC(=O)C=Cc1ccc(cc1OC)I 6a_100010290300_100000211110 [0,2,0,0,0,0|2,0,0]=4 1046 B15R1.13065 COC(=O)CNc1ccc(cc1OC)O 34a_100015326901_100000747449 [0,2,0,0,0,0|1,0,1]=4 1047 B15R1.13065 COC(=O)CSc1ccc(cc1CO)O 62a_100000747449_100012351483 [0,2,0,0,0,0|1,0,1]=4 1048 B15R1.13065 COC(=O)CSc1ccc(cc1CO)O 62a_100012351483_100000747449 [0,2,0,0,0,0|1,0,1]=4 1049 B15R1.13065 COC(=O)CSc1ccc(cc1OC)O 62a_100000747449_100011827694 [0,2,0,0,0,0|1,0,1]=4 1050 B15R1.13065 COc1cc(ccc1C=CC(=O)CBr)I 6a_100010290300_100009888967 [0,2,0,0,0,0|2,0,0]=4 1051 B15R1.13065 COc1cc(ccc1C=CC(=O)CCl)I 6a_100010290300_100000086384 [0,2,0,0,0,0|2,0,0]=4 1052 B15R1.13065 COc1cc(ccc1C=CC(=O)CF)I 6a_100010290300_100000764096 [0,2,0,0,0,0|2,0,0]=4 1053 B15R1.14339 C=C(CO)C(=O)Nc1ccc(cc1O)O 22a_100000106777_200000705526 [0,2,0,0,0,0|2,0,0]=4 1054 B15R1.14339 CNC(=O)C(=O)Nc1ccc(cc1O)O 22a_100000106777_100011218921 [0,2,0,0,0,0|2,0,0]=4 1055 B15R1.14339 CNC(=O)C(=O)Nc1ccc(cc1O)O 527a_100000106777_100011218921 [0,2,0,0,0,0|2,0,0]=4 1056 B15R1.14339 COC(=O)C(=O)Nc1ccc(cc1Br)O 527a_100012001276_100000024059 [0,2,0,0,0,0|2,0,0]=4 1057 B15R1.14339 COC(=O)C(=O)Nc1ccc(cc1C)O 527a_100000756630_100000024059 [0,2,0,0,0,0|2,0,0]=4 1058 B15R1.14339 COC(=O)C(=O)Nc1ccc(cc1Cl)O 527a_100011215599_100000024059 [0,2,0,0,0,0|2,0,0]=4 1059 B15R1.14339 COC(=O)C(=O)Nc1ccc(cc1F)O 527a_100000759473_100000024059 [0,2,0,0,0,0|2,0,0]=4 1060 B15R1.14339 COC(=O)C(=O)Nc1ccc(cc1I)O 527a_100010084370_100000024059 [0,2,0,0,0,0|2,0,0]=4 1061 B15R1.14339 COC(=O)C(=O)Nc1ccc(cc1O)Br 527a_100000739049_100000024059 [0,2,0,0,0,0|2,0,0]=4 1062 B15R1.14339 COC(=O)C(=O)Nc1ccc(cc1O)C 527a_100000211527_100000024059 [0,2,0,0,0,0|2,0,0]=4 1063 B15R1.14339 COC(=O)C(=O)Nc1ccc(cc1O)Cl 527a_100000185728_100000024059 [0,2,0,0,0,0|2,0,0]=4 1064 B15R1.14339 COC(=O)C(=O)Nc1ccc(cc1O)F 527a_100000753323_100000024059 [0,2,0,0,0,0|2,0,0]=4 1065 B15R1.14339 COC(=O)C(=O)Nc1ccc(cc1O)I 527a_100000057187_100000024059 [0,2,0,0,0,0|2,0,0]=4 1066 B15R1.14339 COC(=O)C(=O)Nc1ccc(cc1O)O 527a_100000106777_100000024059 [0,2,0,0,0,0|1,0,0]=3 1067 B15R1.14339 COC(=O)C(C)Nc1ccc(cc1O)O 34a_100000106777_100000211248 [0,2,0,0,0,0|1,0,1]=4 1068 B15R1.14339 COC(=O)C(C)Sc1ccc(cc1O)O 62a_100000211248_100009813921 [0,2,0,0,0,0|1,0,1]=4 1069 B15R1.38791 CCC(=O)C=Cc1c(cc(cc1Cl)O)Cl 1458a_200050542424_100000210202 [0,2,0,0,0,0|2,0,0]=4 1070 B15R1.38791 CCC(=O)C=Cc1c(cc(cc1F)Br)O 6a_100010762571_100000211110 [0,2,0,0,0,0|2,0,0]=4 1071 B15R1.38791 CCC(=O)C=Cc1c(cc(cc1F)F)O 6a_100012148083_100000211110 [0,2,0,0,0,0|2,0,0]=4 1072 B15R1.38791 CCC(=O)C=Cc1c(cc(cc1F)O)F 6a_100000061967_100000211110 [0,2,0,0,0,0|2,0,0]=4 1073 B15R1.38791 CNC(=O)C=Cc1c(cc(cc1Cl)O)Cl 240690a_100102657272_200050542424 [0,2,0,0,0,0|2,0,0]=4 1074 B15R1.38791 COC(=O)CSc1c(cc(cc1O)O)O 62a_100000747449_200010341185 [0,2,0,0,0,0|1,0,1]=4 1075 B15R1.38791 O=C(C=Cc1c(cc(cc1Cl)O)Cl)CF 1458a_200050542424_100015361967 [0,2,0,0,0,0|2,0,0]=4 1076 B15R1.38791 O=C(C=Cc1c(cc(cc1F)Br)O)CBr 6a_100010762571_100009888967 [0,2,0,0,0,0|2,0,0]=4 1077 B15R1.38791 O=C(C=Cc1c(cc(cc1F)Br)O)CCl 6a_100010762571_100000086384 [0,2,0,0,0,0|2,0,0]=4 1078 B15R1.38791 O=C(C=Cc1c(cc(cc1F)Br)O)CF 6a_100010762571_100000764096 [0,2,0,0,0,0|2,0,0]=4 1079 B15R1.38791 O=C(C=Cc1c(cc(cc1F)F)O)CBr 6a_100012148083_100009888967 [0,2,0,0,0,0|2,0,0]=4 1080 B15R1.38791 O=C(C=Cc1c(cc(cc1F)F)O)CCl 6a_100012148083_100000086384 [0,2,0,0,0,0|2,0,0]=4 1081 B15R1.38791 O=C(C=Cc1c(cc(cc1F)F)O)CF 6a_100012148083_100000764096 [0,2,0,0,0,0|2,0,0]=4 1082 B15R1.38791 O=C(C=Cc1c(cc(cc1F)O)F)CBr 6a_100000061967_100009888967 [0,2,0,0,0,0|2,0,0]=4 1083 B15R1.38791 O=C(C=Cc1c(cc(cc1F)O)F)CCl 6a_100000061967_100000086384 [0,2,0,0,0,0|2,0,0]=4 1084 B15R1.38791 O=C(C=Cc1c(cc(cc1F)O)F)CF 6a_100000061967_100000764096 [0,2,0,0,0,0|2,0,0]=4 1085 B15R1.4059 COc1cc(ccc1NC(=O)C(=O)N)O 22a_100015326901_100011215815 [0,2,0,0,0,0|2,0,0]=4 1086 B15R1.12830 COc1cc(c(cc1C=CC(=O)C)F)F 1458a_100020621802_200000210301 [0,2,0,0,0,0|2,0,0]=4 1087 B15R1.12830 COc1cc(c(cc1C=CC(=O)[13CH3])F)F 1458a_100020621802_200025704644 [0,2,0,0,0,0|2,0,0]=4 1088 B15R1.13064 CC(C)(O)C=Cc1ccc(cc1CO)O 271570a_200016258132_100012351483 [0,2,0,0,0,0|1,0,1]=4 1089 B15R1.13064 COc1cc(ccc1C=CC(C)(C)O)O 271570a_200016258132_100011827694 [0,2,0,0,0,0|1,0,1]=4 1090 B15R1.3553 Cc1cc(cc(c1C(=O)CC(=O)N)O)O 1458a_200000061528_100000187820 [0,2,0,0,0,0|1,0,1]=4 1091 B15R1.3553 Cc1cc(cc(c1C(=O)CC(=O)[O-])O)O 1458a_200000061528_100020667443 [0,2,0,0,0,0|0,0,2]=4 1092 B15R1.25388 CC(C)(O)C=Cc1c(cc(cc1O)O)O 271570a_200016258132_200010341185 [0,2,0,0,0,0|1,0,1]=4 1093 B15R1.1803 CC(O)C=Cc1cc(c(cc1O)O)C=O 271570a_200011019289_200010132312 [0,2,0,0,0,0|1,0,1]=4 1094 B15R1.8385 NC(=O)CC(=O)c1cc(c(cc1O)O)Br 1458a_100009813906_100000187820 [0,2,0,0,0,0|1,0,1]=4 1095 B15R1.8385 O=C([O-])CC(=O)c1cc(c(cc1O)O)Br 1458a_100009813906_100020667443 [0,2,0,0,0,0|0,0,2]=4 1096 B15R1.8407 NC(=O)CC(=O)c1ccc(c(c1O)O)O 1458a_100000037941_100000187820 [0,2,0,0,0,0|1,0,1]=4 1097 B15R1.8407 O=C([O-])CC(=O)c1ccc(c(c1O)O)O 1458a_100000037941_100020667443 [0,2,0,0,0,0|0,0,2]=4 1098 B15R1.8411 CC(=O)C(C)C(=O)c1ccc(cc1O)O 1458a_100000212172_100000179758 [0,2,0,0,0,0|1,0,1]=4 1099 B15R1.8411 CC(C(=O)N)C(=O)c1ccc(cc1O)O 1458a_100000212172_100000702099 [0,2,0,0,0,0|1,0,1]=4 1100 B15R1.8411 NC(=O)C(F)C(=O)c1ccc(cc1O)O 1458a_100000212172_100009813875 [0,2,0,0,0,0|1,0,1]=4 1101 B15R1.8411 O=C([O-])C(F)C(=O)c1ccc(cc1O)O 1458a_100000212172_100020610796 [0,2,0,0,0,0|0,0,2]=4 1102 B13R1.13 C=C(C)c1ccc(c(c1)C(=O)C)O 271570a_100000694244_100000212127 [0,0,1,1,0,0|2,0,0]=4 1103 B13R1.13 C=C(C)c1ccc(c(c1)C(=O)N)O 271570a_100000694244_100000192807 [0,0,1,1,0,0|2,0,0]=4 1104 B13R1.651 C=Cc1cc(c(cc1C)O)C(=O)C 271570a_100011290941_200010233951 [0,0,1,1,0,0|2,0,0]=4 1105 B13R1.651 C=Cc1cc(c(cc1F)O)C(=O)C 271570a_100011290941_100000691652 [0,0,1,1,0,0|2,0,0]=4 1106 B13R2.155 Cc1ccc2ccc(cc2n1)O 271570a_203496583355_100009817087 [1,0,0,1,0,0|2,0,0]=4 1107 B13R2.155 Nc1ccc2ccc(cc2c1)O 271570a_203496583355_100010090036 [1,0,0,1,0,0|2,0,0]=4 1108 B13R2.155 Nc1ccc2ccc(cc2n1)O 271570a_203496583355_100010187616 [1,0,0,1,0,0|2,0,0]=4 1109 B13R2.155 O=c1ccc2ccc(cc2o1)O 271570a_203496583355_100009993525 [1,0,0,1,0,0|0,0,0]=2 1110 B13R2.155 O=c1ccc2cnc(cc2[nH]1)O 271570a_203496583355_100010563892 [1,0,0,1,0,0|2,0,0]=4 1111 B13R2.155 Oc1ccc2ccc(cc2c1)O 271570a_203496583355_100009816537 [1,0,0,1,0,0|1,0,0]=3 1112 B13R2.155 Oc1ccc2ccc(nc2c1)O 271570a_203496583355_100000079174 [1,0,0,1,0,0|1,0,0]=3 1113 B13R2.155 Oc1ccc2ccc(nc2c1)O 271570a_203496583355_100000690401 [1,0,0,1,0,0|1,0,0]=3 1114 B13R2.155 Oc1ccc2ccc(nc2n1)O 271570a_203496583355_200010218124 [1,0,0,1,0,0|2,0,0]=4 1115 B13R2.155 Oc1ccc2cnc(cc2c1)O 271570a_203496583355_100009817130 [1,0,0,1,0,0|2,0,0]=4 1116 B13R2.155 Oc1ccc2ncc(cc2c1)O 271570a_203496583355_100000703654 [1,0,0,1,0,0|2,0,0]=4 1117 B13R2.155 Oc1ccc2ncc(cc2c1)O 271570a_203496583355_100010137430 [1,0,0,1,0,0|2,0,0]=4 1118 B13R2.155 Oc1ccc2ncc(nc2c1)O 271570a_203496583355_100010000190 [1,0,0,1,0,0|2,0,0]=4 1119 B13R2.155 Oc1ccc2ncc(nc2c1)O 271570a_203496583355_200020640061 [1,0,0,1,0,0|2,0,0]=4 1120 B13R2.155 Oc1cnc2ccc(nc2c1)O 271570a_203496583355_100010009477 [1,0,0,1,0,0|2,0,0]=4 1121 B13R2.43 O=Cc1cc2cc(ccc2[nH]1)O 271570a_203496583355_100009820874 [1,0,0,1,0,0|2,0,0]=4 1122 B13R2.43 O=Cc1cc2cc(ccc2o1)O 271570a_203496583355_100000755920 [1,0,0,1,0,0|2,0,0]=4 1123 B13R2.43 O=Cc1cc2cc(ccc2s1)O 271570a_203496583355_100010238522 [1,0,0,1,0,0|2,0,0]=4 1124 B13R2.43 O=Cc1cc2ccc(cc2[nH]1)O 271570a_203496583355_100000736022 [1,0,0,1,0,0|1,0,0]=3 1125 B13R2.43 O=Cc1cc2ccc(cc2s1)O 271570a_203496583355_100009814784 [1,0,0,1,0,0|0,1,0]=3 1126 B13R2.43 O=Cc1cn2ccc(cc2n1)O 271570a_203496583355_100000731868 [1,0,0,1,0,0|2,0,0]=4 1127 B13R2.43 O=Cc1nc2ccc(cc2[nH]1)O 271570a_203496583355_200011361486 [1,0,0,1,0,0|2,0,0]=4 1128 B13R2.43 OCc1cc2ccc(cc2[nH]1)O 271570a_203496583355_100000735881 [1,0,0,1,0,0|1,0,1]=4 1129 B13R2.43 OCc1cc2ccc(cc2s1)O 271570a_203496583355_100010244134 [1,0,0,1,0,0|0,1,1]=4 1130 B13R2.328 Nc1cc(c2ccccc2c1)O 271570a_203496583355_100010089974 [1,0,0,1,0,0|2,0,0]=4 1131 B13R2.328 Nc1cc(cc2c1cccc2)O 271570a_203496583355_100010171453 [1,0,0,1,0,0|2,0,0]=4 1132 B13R2.328 Nc1cc(cc2c1cccn2)O 271570a_203496583355_200010263263 [1,0,0,1,0,0|2,0,0]=4 1133 B13R2.328 Oc1cc(c2ccccc2c1)O 271570a_203496583355_100010001680 [1,0,0,1,0,0|1,0,0]=3 1134 B13R2.328 Oc1cc(c2ccccc2c1)O 271570a_203496583355_100010089979 [1,0,0,1,0,0|1,0,0]=3 1135 B13R2.328 Oc1cc(c2cnccc2c1)O 271570a_203496583355_100011009069 [1,0,0,1,0,0|2,0,0]=4 1136 B13R2.328 Oc1cc(c2ncccc2c1)O 271570a_203496583355_100010248853 [1,0,0,1,0,0|2,0,0]=4 1137 B13R2.435 C=C(C)c1cc2ccccc2o1 271570a_100000694244_100010159458 [1,0,0,1,0,0|2,0,0]=4 1138 B13R2.435 CC(=O)C1=Cc2ccccc2C1 1458a_100009862756_200000210301 [1,0,0,1,0,0|2,0,0]=4 1139 B13R2.435 [13CH3]C(=O)C1=Cc2ccccc2C1 1458a_100009862756_200025704644 [1,0,0,1,0,0|2,0,0]=4 1140 B13R2.5179 Cc1ccc2c(cccc2n1)O 271570a_203496583355_100010173736 [1,0,0,1,0,0|2,0,0]=4 1141 B13R2.5179 Nc1ccc2c(cccc2n1)O 271570a_203496583355_100000723655 [1,0,0,1,0,0|2,0,0]=4 1142 B13R2.5179 Nc1cccc2c1ccc(c2)O 271570a_203496583355_100010090037 [1,0,0,1,0,0|2,0,0]=4 1143 B13R2.5179 O=C1CCc2c(cccc2O1)O 271570a_203496583355_200015620928 [1,0,0,1,0,0|0,0,2]=4 1144 B13R2.5179 O=c1ccc2c(cccc2[nH]1)O 271570a_203496583355_100000726145 [1,0,0,1,0,0|1,0,0]=3 1145 B13R2.5179 Oc1cc2cccc(c2cn1)O 271570a_203496583355_100009817091 [1,0,0,1,0,0|2,0,0]=4 1146 B13R2.5179 Oc1ccc2c(cccc2c1)O 271570a_203496583355_100010202202 [1,0,0,1,0,0|1,0,0]=3 1147 B13R2.5179 Oc1ccc2c(ccnc2c1)O 271570a_203496583355_100000045489 [1,0,0,1,0,0|2,0,0]=4 1148 B13R2.5179 Oc1ccc2c(ccnc2c1)O 271570a_203496583355_100000756855 [1,0,0,1,0,0|2,0,0]=4 1149 B13R2.5179 Oc1ccc2c(nccc2c1)O 271570a_203496583355_100000760485 [1,0,0,1,0,0|2,0,0]=4 1150 B13R2.5179 Oc1ccc2c(nccc2c1)O 271570a_203496583355_100009867704 [1,0,0,1,0,0|2,0,0]=4 1151 B13R2.3683 O=C1COc2cc(ccc2N1)O 271570a_203496583355_100000745508 [0,0,0,1,1,0|2,0,0]=4 1152 B13R2.3683 O=C1Nc2ccc(cc2CO1)O 271570a_203496583355_100010219366 [0,0,0,1,1,0|2,0,0]=4 1153 B13R2.3683 Oc1ccc2cc(ccc2c1)O 271570a_203496583355_100000185455 [0,0,0,1,1,0|2,0,0]=4 1154 B13R2.3683 Oc1cnc2cc(ccc2c1)O 271570a_203496583355_200010153753 [0,0,0,1,1,0|2,0,0]=4 1155 B15R2.1153 Cc1cc(cs1)c2ccc(cc2O)O 271570a_100000699828_100009813921 [0,0,0,1,0,1|2,0,0]=4 1156 B15R2.1153 Cc1ccc(c(c1)O)c2ccc(o2)C 271570a_100000061910_100012002257 [0,0,0,1,0,1|2,0,0]=4 1157 B15R2.1153 Cc1ccc(o1)c2ccc(cc2Br)O 271570a_100000061910_100000701344 [0,0,0,1,0,1|2,0,0]=4 1158 B15R2.1153 Cc1ccc(o1)c2ccc(cc2C)O 271570a_100000061910_100000729255 [0,0,0,1,0,1|2,0,0]=4 1159 B15R2.1153 Cc1ccc(o1)c2ccc(cc2Cl)O 271570a_100000061910_100000047559 [0,0,0,1,0,1|2,0,0]=4 1160 B15R2.1153 Cc1ccc(o1)c2ccc(cc2F)O 271570a_100000061910_100000755031 [0,0,0,1,0,1|2,0,0]=4 1161 B15R2.1153 Cc1ccc(o1)c2ccc(cc2N)O 271570a_100000061910_100011999798 [0,0,0,1,0,1|2,0,0]=4 1162 B15R2.1153 Cc1ccc(o1)c2ccc(cc2O)Br 271570a_100000061910_100012344904 [0,0,0,1,0,1|2,0,0]=4 1163 B15R2.1153 Cc1ccc(o1)c2ccc(cc2O)Cl 271570a_100000061910_100000050036 [0,0,0,1,0,1|2,0,0]=4 1164 B15R2.1153 Cc1ccc(o1)c2ccc(cc2O)F 271570a_100000061910_100000690578 [0,0,0,1,0,1|2,0,0]=4 1165 B15R2.1153 Cc1ccc(o1)c2ccc(cc2O)O 271570a_100000061910_100009813921 [0,0,0,1,0,1|1,0,0]=3 1166 B15R2.1153 Cc1ccc(s1)c2ccc(cc2O)O 271570a_100011934456_100009813921 [0,0,0,1,0,1|1,1,0]=4 1167 B15R2.1153 Cc1csc(c1)c2ccc(cc2O)O 271570a_100000038307_100009813921 [0,0,0,1,0,1|2,0,0]=4 1168 B15R2.1153 Cc1ncc(s1)c2ccc(cc2O)O 271570a_100000696845_100009813921 [0,0,0,1,0,1|1,1,0]=4 1169 B15R2.1153 O=C1C=C(CC1)c2ccc(cc2O)O 271570a_100010737933_100009813921 [0,0,0,1,0,1|1,0,1]=4 1170 B15R2.1153 Oc1ccc(c(c1)O)c2ccc(s2)Cl 271570a_100000708867_100009813921 [0,0,0,1,0,1|1,1,0]=4 1171 B15R2.2708 COc1cc(c2ccc(=O)oc2c1)C 34a_100000029242_200000210301 [0,1,0,1,0,0|1,0,0]=3 1172 B15R2.2708 COc1cc(c2ccc(=O)oc2c1)C 7a_100000029242_200000210301 [0,1,0,1,0,0|1,0,0]=3 1173 B15R2.2708 Cc1cc(cc2c1ccc(=O)o2)O[13CH3] 34a_100000029242_200025704644 [0,1,0,1,0,0|1,0,0]=3 1174 B15R2.2708 Cc1cc(cc2c1ccc(=O)o2)O[13CH3] 7a_100000029242_200025704644 [0,1,0,1,0,0|1,0,0]=3 1175 B15R2.1590 COC(=O)c1cc2cc(ccc2[nH]1)O 271570a_203496583355_100009814476 [0,1,0,1,0,0|2,0,0]=4 1176 B15R2.1590 COC(=O)c1cc2cc(ccc2s1)O 271570a_203496583355_100009812836 [0,1,0,1,0,0|2,0,0]=4 1177 B15R2.1590 COC(=O)c1cc2ccc(cc2[nH]1)O 271570a_203496583355_100000246269 [0,1,0,1,0,0|1,0,0]=3 1178 B15R2.1590 COC(=O)c1cc2ccc(cc2o1)O 271570a_203496583355_100010365216 [0,1,0,1,0,0|0,0,0]=2 1179 B15R2.1590 COC(=O)c1cc2ccc(cc2s1)O 271570a_203496583355_100010178015 [0,1,0,1,0,0|0,1,0]=3 1180 B15R2.1590 COC(=O)c1nc2ccc(cc2[nH]1)O 271570a_203496583355_100012351599 [0,1,0,1,0,0|2,0,0]=4 1181 B15R2.1590 COC(=O)c1nc2ccc(cc2o1)O 271570a_203496583355_100010209328 [0,1,0,1,0,0|1,0,0]=3 1182 B15R2.1590 COC(=O)c1nc2ccc(cc2s1)O 271570a_203496583355_200010167800 [0,1,0,1,0,0|1,1,0]=4 1183 B15R2.1590 NNC(=O)c1cc2ccc(cc2s1)O 271570a_203496583355_100010243249 [0,1,0,1,0,0|1,1,0]=4 1184 B15R2.377 CC(=O)Cc1coc2c1ccc(c2)O 1458a_100000010777_200000210301 [0,1,0,1,0,0|1,0,1]=4 1185 B15R2.377 [13CH3]C(=O)Cc1coc2c1ccc(c2)O 1458a_100000010777_200025704644 [0,1,0,1,0,0|1,0,1]=4 1186 B15R2.7180 CC(=O)c1ccc2cc(ccc2c1)O 271570a_203496583355_100012339427 [0,1,0,1,0,0|2,0,0]=4 1187 B11R1.20 CC(=Cc1ccc(cc1)O)C 271570a_100102525489_100000185759 [1,0,0,0,1,0|2,0,0]=4 1188 B11R1.20 CC(=O)Cc1ccc(cc1)O 1458a_100000198540_200000210301 [1,0,0,0,1,0|1,0,1]=4 1189 B11R1.20 CC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000691760 [1,0,0,0,1,0|1,0,1]=4 1190 B11R1.20 CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000070787 [1,0,0,0,1,0|2,0,0]=4 1191 B11R1.20 CC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000155215 [1,0,0,0,1,0|2,0,0]=4 1192 B11R1.20 CC(=O)Oc1ccc(cc1)O 271570a_203496583355_100000002173 [1,0,0,0,1,0|2,0,0]=4 1193 B11R1.20 CC(=O)Sc1ccc(cc1)O 271570a_203496583355_200009995050 [1,0,0,0,1,0|2,0,0]=4 1194 B11R1.20 NC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000162331 [1,0,0,0,1,0|1,0,1]=4 1195 B11R1.20 NC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000198584 [1,0,0,0,1,0|2,0,0]=4 1196 B11R1.20 Oc1ccc(cc1)C=C(Br)Br 271570a_203496583355_200013992848 [1,0,0,0,1,0|2,0,0]=4 1197 B11R1.20 Oc1ccc(cc1)C=C(F)F 271570a_203496583355_200009816947 [1,0,0,0,1,0|2,0,0]=4 1198 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)O 1458a_100000198540_200025704644 [1,0,0,0,1,0|1,0,1]=4 1199 B11R1.86 CC(=Cc1ccccc1O)C 271570a_100102525489_100000739446 [1,0,0,0,1,0|2,0,0]=4 1200 B11R1.86 CC(=O)Cc1ccccc1O 1458a_100000743006_200000210301 [1,0,0,0,1,0|1,0,1]=4 1201 B11R1.86 CC(=O)Cc1ccccc1O 271570a_203496583355_100011350739 [1,0,0,0,1,0|1,0,1]=4 1202 B11R1.86 CC(=O)Nc1ccccc1O 22a_100000185747_100000070787 [1,0,0,0,1,0|2,0,0]=4 1203 B11R1.86 CC(=O)Nc1ccccc1O 271570a_203496583355_100000153524 [1,0,0,0,1,0|2,0,0]=4 1204 B11R1.86 CC(=O)Nc1ccccc1O 527a_100000185747_100103153847 [1,0,0,0,1,0|2,0,0]=4 1205 B11R1.86 CC(=O)Oc1ccccc1O 271570a_203496583355_100000051690 [1,0,0,0,1,0|2,0,0]=4 1206 B11R1.86 NC(=O)Cc1ccccc1O 271570a_203496583355_200009814924 [1,0,0,0,1,0|1,0,1]=4 1207 B11R1.86 NC(=O)Nc1ccccc1O 271570a_203496583355_100000742221 [1,0,0,0,1,0|2,0,0]=4 1208 B11R1.86 [13CH3]C(=O)Cc1ccccc1O 1458a_100000743006_200025704644 [1,0,0,0,1,0|1,0,1]=4 1209 B11R1.166 C=C(C)c1ccc(cc1O)O 271570a_100000694244_100009813921 [0,0,0,0,2,0|2,0,0]=4 1210 B11R1.166 CC(=O)c1ccc(cc1Br)O 1458a_100012344906_200000210301 [0,0,0,0,2,0|2,0,0]=4 1211 B11R1.166 CC(=O)c1ccc(cc1C)O 1458a_100000692822_200000210301 [0,0,0,0,2,0|2,0,0]=4 1212 B11R1.166 CC(=O)c1ccc(cc1C)O 271570a_203496583355_100012360112 [0,0,0,0,2,0|2,0,0]=4 1213 B11R1.166 CC(=O)c1ccc(cc1Cl)O 1458a_100000702456_200000210301 [0,0,0,0,2,0|2,0,0]=4 1214 B11R1.166 CC(=O)c1ccc(cc1F)O 1458a_100000689029_200000210301 [0,0,0,0,2,0|2,0,0]=4 1215 B11R1.166 CC(=O)c1ccc(cc1F)O 271570a_203496583355_100000690205 [0,0,0,0,2,0|2,0,0]=4 1216 B11R1.166 CC(=O)c1ccc(cc1N)O 271570a_203496583355_100011590516 [0,0,0,0,2,0|2,0,0]=4 1217 B11R1.166 CC(=O)c1ccc(cc1O)Br 1458a_100000744433_200000210301 [0,0,0,0,2,0|2,0,0]=4 1218 B11R1.166 CC(=O)c1ccc(cc1O)C 1458a_100000212137_200000210301 [0,0,0,0,2,0|2,0,0]=4 1219 B11R1.166 CC(=O)c1ccc(cc1O)C 271570a_203496583355_100012353930 [0,0,0,0,2,0|2,0,0]=4 1220 B11R1.166 CC(=O)c1ccc(cc1O)Cl 1458a_100000188622_200000210301 [0,0,0,0,2,0|2,0,0]=4 1221 B11R1.166 CC(=O)c1ccc(cc1O)F 1458a_100000746061_200000210301 [0,0,0,0,2,0|2,0,0]=4 1222 B11R1.166 CC(=O)c1ccc(cc1O)F 271570a_203496583355_100000686192 [0,0,0,0,2,0|2,0,0]=4 1223 B11R1.166 CC(=O)c1ccc(cc1O)I 1458a_100000091984_200000210301 [0,0,0,0,2,0|2,0,0]=4 1224 B11R1.166 CC(=O)c1ccc(cc1O)O 1458a_100000212172_200000210301 [0,0,0,0,2,0|1,0,0]=3 1225 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100000188348 [0,0,0,0,2,0|1,0,0]=3 1226 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100012340537 [0,0,0,0,2,0|1,0,0]=3 1227 B11R1.166 Cc1cc(ccc1C(=O)N)O 271570a_203496583355_100011327924 [0,0,0,0,2,0|2,0,0]=4 1228 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])O 1458a_100000692822_200025704644 [0,0,0,0,2,0|2,0,0]=4 1229 B11R1.166 Cc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212137_200025704644 [0,0,0,0,2,0|2,0,0]=4 1230 B11R1.166 NC(=O)c1ccc(cc1Br)O 271570a_203496583355_200010146565 [0,0,0,0,2,0|2,0,0]=4 1231 B11R1.166 NC(=O)c1ccc(cc1F)O 271570a_203496583355_100000216903 [0,0,0,0,2,0|2,0,0]=4 1232 B11R1.166 NC(=O)c1ccc(cc1N)O 271570a_203496583355_100012349972 [0,0,0,0,2,0|2,0,0]=4 1233 B11R1.166 NC(=O)c1ccc(cc1O)Br 271570a_203496583355_100009815748 [0,0,0,0,2,0|2,0,0]=4 1234 B11R1.166 NC(=O)c1ccc(cc1O)F 271570a_203496583355_100000206404 [0,0,0,0,2,0|2,0,0]=4 1235 B11R1.166 NC(=O)c1ccc(cc1O)O 271570a_203496583355_100011550861 [0,0,0,0,2,0|1,0,0]=3 1236 B11R1.166 OB(O)c1ccc(cc1O)O 271570a_203496583355_100010158982 [0,0,0,0,2,0|1,0,1]=4 1237 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)O 1458a_100012344906_200025704644 [0,0,0,0,2,0|2,0,0]=4 1238 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)O 1458a_100000702456_200025704644 [0,0,0,0,2,0|2,0,0]=4 1239 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)O 1458a_100000689029_200025704644 [0,0,0,0,2,0|2,0,0]=4 1240 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Br 1458a_100000744433_200025704644 [0,0,0,0,2,0|2,0,0]=4 1241 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Cl 1458a_100000188622_200025704644 [0,0,0,0,2,0|2,0,0]=4 1242 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)F 1458a_100000746061_200025704644 [0,0,0,0,2,0|2,0,0]=4 1243 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)I 1458a_100000091984_200025704644 [0,0,0,0,2,0|2,0,0]=4 1244 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)O 1458a_100000212172_200025704644 [0,0,0,0,2,0|1,0,0]=3 1245 B13R1.513 CC(=O)NN=Cc1ccc(cc1)O 4a_100000189765_100000185832 [1,0,0,0,0,1|2,0,0]=4 1246 B13R1.158 CC(=O)NN=Cc1ccccc1O 4a_100000189765_100000185834 [1,0,0,0,0,1|2,0,0]=4 1247 B13R1.3420 CC(O)C=Cc1cc(cc(c1)O)O 271570a_200011019289_100009868816 [0,0,0,0,1,1|1,0,1]=4 1248 B15R1.5821 CC(=O)OCC=Cc1ccc(cc1Br)O 271570a_200000047263_100000701344 [0,0,0,0,0,2|2,0,0]=4 1249 B15R1.5821 CC(=O)OCC=Cc1ccc(cc1C)O 271570a_200000047263_100000729255 [0,0,0,0,0,2|2,0,0]=4 1250 B15R1.5821 CC(=O)OCC=Cc1ccc(cc1Cl)O 271570a_200000047263_100000047559 [0,0,0,0,0,2|2,0,0]=4 1251 B15R1.5821 CC(=O)OCC=Cc1ccc(cc1F)O 271570a_200000047263_100000755031 [0,0,0,0,0,2|2,0,0]=4 1252 B15R1.5821 CC(=O)OCC=Cc1ccc(cc1N)O 271570a_200000047263_100011999798 [0,0,0,0,0,2|2,0,0]=4 1253 B15R1.5821 CC(=O)OCC=Cc1ccc(cc1O)Br 271570a_200000047263_100012344904 [0,0,0,0,0,2|2,0,0]=4 1254 B15R1.5821 CC(=O)OCC=Cc1ccc(cc1O)C 271570a_200000047263_100012002257 [0,0,0,0,0,2|2,0,0]=4 1255 B15R1.5821 CC(=O)OCC=Cc1ccc(cc1O)Cl 271570a_200000047263_100000050036 [0,0,0,0,0,2|2,0,0]=4 1256 B15R1.5821 CC(=O)OCC=Cc1ccc(cc1O)F 271570a_200000047263_100000690578 [0,0,0,0,0,2|2,0,0]=4 1257 B15R1.5821 CC(=O)OCC=Cc1ccc(cc1O)O 271570a_200000047263_100009813921 [0,0,0,0,0,2|1,0,0]=3 1258 B15R1.5821 OB(O)/C=C/CSc1ccc(cc1O)O 62a_100016262062_100009813921 [0,0,0,0,0,2|1,0,1]=4