0 B13R1.511 C=C(C)CNc1ccc(c(c1)O)O 34a_100102946323_100000748629 [0,0,0,0,0,0|3,0,1]=4 1 B13R1.511 C=C(C)CSc1ccc(c(c1)O)O 62a_100000748629_100009813601 [0,0,0,0,0,0|3,0,1]=4 2 B13R1.511 C=C(F)CNc1ccc(c(c1)O)O 34a_100102946323_100009893438 [0,0,0,0,0,0|3,0,1]=4 3 B13R1.511 C=C(F)CSc1ccc(c(c1)O)O 62a_100000042424_100009813601 [0,0,0,0,0,0|3,0,1]=4 4 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Br)Cl 1458a_100102889548_200000210301 [0,0,0,0,0,0|3,0,0]=3 5 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Br)F 1458a_100011195070_200000210301 [0,0,0,0,0,0|3,0,0]=3 6 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Br)O 1458a_200103079279_200000210301 [0,0,0,0,0,0|2,0,0]=2 7 B13R1.511 CC(=O)C=Cc1ccc(c(c1)C)C 1458a_100011338269_200000210301 [0,0,0,0,0,0|3,0,0]=3 8 B13R1.511 CC(=O)C=Cc1ccc(c(c1)C)F 1458a_100016261966_200000210301 [0,0,0,0,0,0|3,0,0]=3 9 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Cl)Cl 1458a_100000716972_200000210301 [0,0,0,0,0,0|3,0,0]=3 10 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Cl)F 1458a_100102525453_200000210301 [0,0,0,0,0,0|3,0,0]=3 11 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Cl)O 1458a_200103117615_200000210301 [0,0,0,0,0,0|2,0,0]=2 12 B13R1.511 CC(=O)C=Cc1ccc(c(c1)F)Br 1458a_100102601611_200000210301 [0,0,0,0,0,0|3,0,0]=3 13 B13R1.511 CC(=O)C=Cc1ccc(c(c1)F)C 1458a_100102526211_200000210301 [0,0,0,0,0,0|3,0,0]=3 14 B13R1.511 CC(=O)C=Cc1ccc(c(c1)F)Cl 1458a_100020610926_200000210301 [0,0,0,0,0,0|3,0,0]=3 15 B13R1.511 CC(=O)C=Cc1ccc(c(c1)F)F 1458a_100011195075_200000210301 [0,0,0,0,0,0|3,0,0]=3 16 B13R1.511 CC(=O)CCc1ccc(c(c1)O)O 1458a_100000042615_200000210301 [0,0,0,0,0,0|1,0,2]=3 17 B13R1.511 CC(=O)CCc1ccc(c(c1)O)O 1458a_100000070787_200010393615 [0,0,0,0,0,0|1,0,2]=3 18 B13R1.511 CC(=O)NCc1ccc(c(c1)F)O 240690a_100000758358_100015343762 [0,0,0,0,0,0|3,0,1]=4 19 B13R1.511 CC(=O)NCc1ccc(c(c1)F)O 527a_100000758358_100103153847 [0,0,0,0,0,0|3,0,1]=4 20 B13R1.511 CC(=O)NCc1ccc(c(c1)O)Cl 240690a_100020636435_100015343762 [0,0,0,0,0,0|3,0,1]=4 21 B13R1.511 CC(=O)NCc1ccc(c(c1)O)Cl 527a_100020636435_100103153847 [0,0,0,0,0,0|3,0,1]=4 22 B13R1.511 CC(=O)NCc1ccc(c(c1)O)F 240690a_100160469508_100015343762 [0,0,0,0,0,0|3,0,1]=4 23 B13R1.511 CC(=O)NCc1ccc(c(c1)O)F 527a_100160469508_100103153847 [0,0,0,0,0,0|3,0,1]=4 24 B13R1.511 CC(=O)NCc1ccc(c(c1)O)O 240690a_100000010075_100015343762 [0,0,0,0,0,0|2,0,1]=3 25 B13R1.511 CC(C)C=Cc1ccc(c(c1)Br)O 271570a_100016257149_100012361655 [0,0,0,0,0,0|3,0,1]=4 26 B13R1.511 CC(C)C=Cc1ccc(c(c1)Cl)O 271570a_100016257149_100012360047 [0,0,0,0,0,0|3,0,1]=4 27 B13R1.511 CC(C)C=Cc1ccc(c(c1)F)O 271570a_100016257149_100000185481 [0,0,0,0,0,0|3,0,1]=4 28 B13R1.511 CC(C)C=Cc1ccc(c(c1)N)O 271570a_100016257149_100000752626 [0,0,0,0,0,0|3,0,1]=4 29 B13R1.511 CC(C)C=Cc1ccc(c(c1)O)Br 271570a_100016257149_100012356990 [0,0,0,0,0,0|3,0,1]=4 30 B13R1.511 CC(C)C=Cc1ccc(c(c1)O)Cl 271570a_100016257149_100011356854 [0,0,0,0,0,0|3,0,1]=4 31 B13R1.511 CC(C)C=Cc1ccc(c(c1)O)F 271570a_100016257149_100000686035 [0,0,0,0,0,0|3,0,1]=4 32 B13R1.511 CC(C)C=Cc1ccc(c(c1)O)N 271570a_100016257149_100000739049 [0,0,0,0,0,0|3,0,1]=4 33 B13R1.511 CC(C)C=Cc1ccc(c(c1)O)O 271570a_100016257149_100009813601 [0,0,0,0,0,0|2,0,1]=3 34 B13R1.511 CC(O)C=Cc1c[nH]c(=O)c(c1)O 271570a_200011019289_100009814561 [0,0,0,0,0,0|2,0,2]=4 35 B13R1.511 CC(O)C=Cc1cc(c(cn1)F)O 271570a_200011019289_100009854642 [0,0,0,0,0,0|3,0,1]=4 36 B13R1.511 CC(O)C=Cc1cc(c(cn1)O)N 271570a_200011019289_100009819941 [0,0,0,0,0,0|3,0,1]=4 37 B13R1.511 CC(O)C=Cc1ccc(c(c1)Br)Br 271570a_200011019289_100012356285 [0,0,0,0,0,0|3,0,1]=4 38 B13R1.511 CC(O)C=Cc1ccc(c(c1)Br)Cl 271570a_200011019289_100012353702 [0,0,0,0,0,0|3,0,1]=4 39 B13R1.511 CC(O)C=Cc1ccc(c(c1)Br)F 271570a_200011019289_100012047266 [0,0,0,0,0,0|3,0,1]=4 40 B13R1.511 CC(O)C=Cc1ccc(c(c1)Br)N 271570a_200011019289_100000750455 [0,0,0,0,0,0|3,0,1]=4 41 B13R1.511 CC(O)C=Cc1ccc(c(c1)Br)O 271570a_200011019289_100012361655 [0,0,0,0,0,0|2,0,1]=3 42 B13R1.511 CC(O)C=Cc1ccc(c(c1)Cl)Br 271570a_200011019289_100012047281 [0,0,0,0,0,0|3,0,1]=4 43 B13R1.511 CC(O)C=Cc1ccc(c(c1)Cl)Cl 271570a_200011019289_100011214914 [0,0,0,0,0,0|3,0,1]=4 44 B13R1.511 CC(O)C=Cc1ccc(c(c1)Cl)F 271570a_200011019289_100011215976 [0,0,0,0,0,0|3,0,1]=4 45 B13R1.511 CC(O)C=Cc1ccc(c(c1)Cl)N 271570a_200011019289_100011218065 [0,0,0,0,0,0|3,0,1]=4 46 B13R1.511 CC(O)C=Cc1ccc(c(c1)Cl)O 271570a_200011019289_100012360047 [0,0,0,0,0,0|2,0,1]=3 47 B13R1.511 CC(O)C=Cc1ccc(c(c1)F)Br 271570a_200011019289_100000685389 [0,0,0,0,0,0|3,0,1]=4 48 B13R1.511 CC(O)C=Cc1ccc(c(c1)F)Cl 271570a_200011019289_100011216805 [0,0,0,0,0,0|3,0,1]=4 49 B13R1.511 CC(O)C=Cc1ccc(c(c1)F)F 271570a_200011019289_100000750028 [0,0,0,0,0,0|3,0,1]=4 50 B13R1.511 CC(O)C=Cc1ccc(c(c1)F)N 271570a_200011019289_100011215594 [0,0,0,0,0,0|3,0,1]=4 51 B13R1.511 CC(O)C=Cc1ccc(c(c1)F)O 271570a_200011019289_100000185481 [0,0,0,0,0,0|2,0,1]=3 52 B13R1.511 CC(O)C=Cc1ccc(c(c1)N)Br 271570a_200011019289_100000750456 [0,0,0,0,0,0|3,0,1]=4 53 B13R1.511 CC(O)C=Cc1ccc(c(c1)N)Cl 271570a_200011019289_200000761891 [0,0,0,0,0,0|3,0,1]=4 54 B13R1.511 CC(O)C=Cc1ccc(c(c1)N)F 271570a_200011019289_100000740924 [0,0,0,0,0,0|3,0,1]=4 55 B13R1.511 CC(O)C=Cc1ccc(c(c1)N)N 271570a_200011019289_100000741789 [0,0,0,0,0,0|3,0,1]=4 56 B13R1.511 CC(O)C=Cc1ccc(c(c1)N)O 271570a_200011019289_100000752626 [0,0,0,0,0,0|2,0,1]=3 57 B13R1.511 CC(O)C=Cc1ccc(c(c1)O)Br 271570a_200011019289_100012356990 [0,0,0,0,0,0|2,0,1]=3 58 B13R1.511 CC(O)C=Cc1ccc(c(c1)O)Cl 271570a_200011019289_100011356854 [0,0,0,0,0,0|2,0,1]=3 59 B13R1.511 CC(O)C=Cc1ccc(c(c1)O)F 271570a_200011019289_100000686035 [0,0,0,0,0,0|2,0,1]=3 60 B13R1.511 CC(O)C=Cc1ccc(c(c1)O)N 271570a_200011019289_100000739049 [0,0,0,0,0,0|2,0,1]=3 61 B13R1.511 CC(O)C=Cc1ccc(c(c1)O)O 271570a_200011019289_100009813601 [0,0,0,0,0,0|1,0,1]=2 62 B13R1.511 CC(O)C=Cc1ccc(c(n1)Br)O 271570a_200011019289_100000725334 [0,0,0,0,0,0|3,0,1]=4 63 B13R1.511 CC(O)C=Cc1ccc(c(n1)Cl)O 271570a_200011019289_100000721234 [0,0,0,0,0,0|3,0,1]=4 64 B13R1.511 CC(O)C=Cc1ccc(c(n1)F)O 271570a_200011019289_100009819667 [0,0,0,0,0,0|3,0,1]=4 65 B13R1.511 CC(O)C=Cc1ccc(c(n1)N)O 271570a_200011019289_100000685527 [0,0,0,0,0,0|3,0,1]=4 66 B13R1.511 CC(O)C=Cc1ccc(c(n1)O)F 271570a_200011019289_100010729010 [0,0,0,0,0,0|3,0,1]=4 67 B13R1.511 CC(O)C=Cc1ccc(c(n1)O)N 271570a_200011019289_100000718904 [0,0,0,0,0,0|3,0,1]=4 68 B13R1.511 CC(O)C=Cc1cnc(c(c1)Cl)O 271570a_200011019289_100010238531 [0,0,0,0,0,0|3,0,1]=4 69 B13R1.511 CC(O)C=Cc1cnc(c(c1)N)O 271570a_200011019289_100000743729 [0,0,0,0,0,0|3,0,1]=4 70 B13R1.511 CC(O)C=Cc1cnc(c(c1)O)F 271570a_200011019289_100009819871 [0,0,0,0,0,0|3,0,1]=4 71 B13R1.511 CC(O)C=Cc1cnc(c(c1)O)N 271570a_200011019289_100009819042 [0,0,0,0,0,0|3,0,1]=4 72 B13R1.511 CC(O)CNc1ccc(c(c1)O)O 34a_100102946323_100011218427 [0,0,0,0,0,0|2,0,2]=4 73 B13R1.511 CC(O)CSc1ccc(c(c1)O)O 62a_100011218427_100009813601 [0,0,0,0,0,0|2,0,2]=4 74 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)O)O 34a_100102946323_100009817552 [0,0,0,0,0,0|2,0,2]=4 75 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)O)O 62a_100009817552_100009813601 [0,0,0,0,0,0|2,0,2]=4 76 B13R1.511 Cc1cc(ccc1Br)C=CC(C)O 271570a_200011019289_100009813585 [0,0,0,0,0,0|3,0,1]=4 77 B13R1.511 Cc1cc(ccc1Cl)C=CC(C)O 271570a_200011019289_100000049509 [0,0,0,0,0,0|3,0,1]=4 78 B13R1.511 Cc1cc(ccc1F)C=CC(=O)[13CH3] 1458a_100016261966_200025704644 [0,0,0,0,0,0|3,0,0]=3 79 B13R1.511 Cc1cc(ccc1F)C=CC(C)O 271570a_200011019289_100011218330 [0,0,0,0,0,0|3,0,1]=4 80 B13R1.511 Cc1cc(ccc1N)C=CC(C)O 271570a_200011019289_100000211769 [0,0,0,0,0,0|3,0,1]=4 81 B13R1.511 Cc1cc(ccc1O)C=CC(C)C 271570a_100016257149_100000186361 [0,0,0,0,0,0|3,0,1]=4 82 B13R1.511 Cc1cc(ccc1O)C=CC(C)O 271570a_200011019289_100000186361 [0,0,0,0,0,0|2,0,1]=3 83 B13R1.511 Cc1cc(ccc1O)NCC(=O)N 34a_100011218179_100000187820 [0,0,0,0,0,0|3,0,1]=4 84 B13R1.511 Cc1cc(ccc1O)NCC(=O)N 7a_100011218179_100000187820 [0,0,0,0,0,0|3,0,1]=4 85 B13R1.511 Cc1cc(ccc1O)NCC(=O)[O-] 34a_100011218179_100020667443 [0,0,0,0,0,0|2,0,2]=4 86 B13R1.511 Cc1cc(ccc1O)SCC(=O)N 62a_100000747473_100000186361 [0,0,0,0,0,0|3,0,1]=4 87 B13R1.511 Cc1cc(ccc1O)SCC(=O)[O-] 62a_100020667443_100000186361 [0,0,0,0,0,0|2,0,2]=4 88 B13R1.511 Cc1cc(cnc1O)C=CC(C)O 271570a_200011019289_100000685391 [0,0,0,0,0,0|3,0,1]=4 89 B13R1.511 Cc1cc(ncc1O)C=CC(C)O 271570a_200011019289_100000692680 [0,0,0,0,0,0|3,0,1]=4 90 B13R1.511 Cc1ccc(cc1Br)C=CC(C)O 271570a_200011019289_100011847877 [0,0,0,0,0,0|3,0,1]=4 91 B13R1.511 Cc1ccc(cc1C)C=CC(=O)[13CH3] 1458a_100011338269_200025704644 [0,0,0,0,0,0|3,0,0]=3 92 B13R1.511 Cc1ccc(cc1C)C=CC(C)O 271570a_200011019289_100011215607 [0,0,0,0,0,0|3,0,1]=4 93 B13R1.511 Cc1ccc(cc1Cl)C=CC(C)O 271570a_200011019289_100011216363 [0,0,0,0,0,0|3,0,1]=4 94 B13R1.511 Cc1ccc(cc1F)C=CC(=O)[13CH3] 1458a_100102526211_200025704644 [0,0,0,0,0,0|3,0,0]=3 95 B13R1.511 Cc1ccc(cc1F)C=CC(C)O 271570a_200011019289_100000720648 [0,0,0,0,0,0|3,0,1]=4 96 B13R1.511 Cc1ccc(cc1N)C=CC(C)O 271570a_200011019289_100000761890 [0,0,0,0,0,0|3,0,1]=4 97 B13R1.511 Cc1ccc(cc1O)C=CC(C)C 271570a_100016257149_100000766334 [0,0,0,0,0,0|3,0,1]=4 98 B13R1.511 Cc1ccc(cc1O)C=CC(C)O 271570a_200011019289_100000766334 [0,0,0,0,0,0|2,0,1]=3 99 B13R1.511 Cc1ccc(cc1O)NCC(=O)N 34a_100000759471_100000187820 [0,0,0,0,0,0|3,0,1]=4 100 B13R1.511 Cc1ccc(cc1O)NCC(=O)N 7a_100000759471_100000187820 [0,0,0,0,0,0|3,0,1]=4 101 B13R1.511 Cc1ccc(cc1O)NCC(=O)[O-] 34a_100000759471_100020667443 [0,0,0,0,0,0|2,0,2]=4 102 B13R1.511 Cc1ccc(cc1O)SCC(=O)N 62a_100000685420_100000747473 [0,0,0,0,0,0|3,0,1]=4 103 B13R1.511 Cc1ccc(cc1O)SCC(=O)N 62a_100000747473_100000685420 [0,0,0,0,0,0|3,0,1]=4 104 B13R1.511 Cc1ccc(cc1O)SCC(=O)[O-] 62a_100000685420_100020667443 [0,0,0,0,0,0|2,0,2]=4 105 B13R1.511 Cc1ccc(cc1O)SCC(=O)[O-] 62a_100020667443_100000685420 [0,0,0,0,0,0|2,0,2]=4 106 B13R1.511 Cc1cnc(cc1O)C=CC(C)O 271570a_200011019289_100000704368 [0,0,0,0,0,0|3,0,1]=4 107 B13R1.511 Cc1nc(ccc1O)C=CC(C)O 271570a_200011019289_100010233687 [0,0,0,0,0,0|3,0,1]=4 108 B13R1.511 Cc1ncc(cc1O)C=CC(C)O 271570a_200011019289_100009864810 [0,0,0,0,0,0|3,0,1]=4 109 B13R1.511 NC(=O)CNc1ccc(c(c1)Br)O 34a_100011534360_100000187820 [0,0,0,0,0,0|3,0,1]=4 110 B13R1.511 NC(=O)CNc1ccc(c(c1)Cl)O 34a_100000744943_100000187820 [0,0,0,0,0,0|3,0,1]=4 111 B13R1.511 NC(=O)CNc1ccc(c(c1)F)O 34a_100011220035_100000187820 [0,0,0,0,0,0|3,0,1]=4 112 B13R1.511 NC(=O)CNc1ccc(c(c1)F)O 7a_100011220035_100000187820 [0,0,0,0,0,0|3,0,1]=4 113 B13R1.511 NC(=O)CNc1ccc(c(c1)O)Cl 34a_100011934209_100000187820 [0,0,0,0,0,0|3,0,1]=4 114 B13R1.511 NC(=O)CNc1ccc(c(c1)O)F 34a_100012017398_100000187820 [0,0,0,0,0,0|3,0,1]=4 115 B13R1.511 NC(=O)CNc1ccc(c(c1)O)F 7a_100012017398_100000187820 [0,0,0,0,0,0|3,0,1]=4 116 B13R1.511 NC(=O)CNc1ccc(c(c1)O)O 34a_100102946323_100000187820 [0,0,0,0,0,0|2,0,1]=3 117 B13R1.511 NC(=O)CSc1ccc(c(c1)Br)O 62a_100000747473_100012361655 [0,0,0,0,0,0|3,0,1]=4 118 B13R1.511 NC(=O)CSc1ccc(c(c1)Br)O 62a_100012361655_100000747473 [0,0,0,0,0,0|3,0,1]=4 119 B13R1.511 NC(=O)CSc1ccc(c(c1)Cl)O 62a_100000747473_100012360047 [0,0,0,0,0,0|3,0,1]=4 120 B13R1.511 NC(=O)CSc1ccc(c(c1)Cl)O 62a_100012360047_100000747473 [0,0,0,0,0,0|3,0,1]=4 121 B13R1.511 NC(=O)CSc1ccc(c(c1)F)O 62a_100000185481_100000747473 [0,0,0,0,0,0|3,0,1]=4 122 B13R1.511 NC(=O)CSc1ccc(c(c1)F)O 62a_100000747473_100000185481 [0,0,0,0,0,0|3,0,1]=4 123 B13R1.511 NC(=O)CSc1ccc(c(c1)N)O 62a_100000747473_100000752626 [0,0,0,0,0,0|3,0,1]=4 124 B13R1.511 NC(=O)CSc1ccc(c(c1)N)O 62a_100000752626_100000747473 [0,0,0,0,0,0|3,0,1]=4 125 B13R1.511 NC(=O)CSc1ccc(c(c1)O)Br 62a_100000747473_100012356990 [0,0,0,0,0,0|3,0,1]=4 126 B13R1.511 NC(=O)CSc1ccc(c(c1)O)Br 62a_100012356990_100000747473 [0,0,0,0,0,0|3,0,1]=4 127 B13R1.511 NC(=O)CSc1ccc(c(c1)O)Cl 62a_100000747473_100011356854 [0,0,0,0,0,0|3,0,1]=4 128 B13R1.511 NC(=O)CSc1ccc(c(c1)O)Cl 62a_100011356854_100000747473 [0,0,0,0,0,0|3,0,1]=4 129 B13R1.511 NC(=O)CSc1ccc(c(c1)O)F 62a_100000686035_100000747473 [0,0,0,0,0,0|3,0,1]=4 130 B13R1.511 NC(=O)CSc1ccc(c(c1)O)F 62a_100000747473_100000686035 [0,0,0,0,0,0|3,0,1]=4 131 B13R1.511 NC(=O)CSc1ccc(c(c1)O)N 62a_100000739049_100000747473 [0,0,0,0,0,0|3,0,1]=4 132 B13R1.511 NC(=O)CSc1ccc(c(c1)O)N 62a_100000747473_100000739049 [0,0,0,0,0,0|3,0,1]=4 133 B13R1.511 NC(=O)CSc1ccc(c(c1)O)O 62a_100000747473_100009813601 [0,0,0,0,0,0|2,0,1]=3 134 B13R1.511 Nc1cc(ccc1O)SCC(=O)[O-] 62a_100000752626_100020667443 [0,0,0,0,0,0|2,0,2]=4 135 B13R1.511 Nc1cc(ccc1O)SCC(=O)[O-] 62a_100020667443_100000752626 [0,0,0,0,0,0|2,0,2]=4 136 B13R1.511 Nc1ccc(cc1O)SCC(=O)[O-] 62a_100000739049_100020667443 [0,0,0,0,0,0|2,0,2]=4 137 B13R1.511 Nc1ccc(cc1O)SCC(=O)[O-] 62a_100020667443_100000739049 [0,0,0,0,0,0|2,0,2]=4 138 B13R1.511 O=C([O-])CNc1ccc(c(c1)Br)O 34a_100011534360_100020667443 [0,0,0,0,0,0|2,0,2]=4 139 B13R1.511 O=C([O-])CNc1ccc(c(c1)Cl)O 34a_100000744943_100020667443 [0,0,0,0,0,0|2,0,2]=4 140 B13R1.511 O=C([O-])CNc1ccc(c(c1)F)O 34a_100011220035_100020667443 [0,0,0,0,0,0|2,0,2]=4 141 B13R1.511 O=C([O-])CNc1ccc(c(c1)O)Cl 34a_100011934209_100020667443 [0,0,0,0,0,0|2,0,2]=4 142 B13R1.511 O=C([O-])CNc1ccc(c(c1)O)F 34a_100012017398_100020667443 [0,0,0,0,0,0|2,0,2]=4 143 B13R1.511 O=C([O-])CNc1ccc(c(c1)O)O 34a_100102946323_100020667443 [0,0,0,0,0,0|1,0,2]=3 144 B13R1.511 O=C([O-])CSc1ccc(c(c1)Br)O 62a_100012361655_100020667443 [0,0,0,0,0,0|2,0,2]=4 145 B13R1.511 O=C([O-])CSc1ccc(c(c1)Br)O 62a_100020667443_100012361655 [0,0,0,0,0,0|2,0,2]=4 146 B13R1.511 O=C([O-])CSc1ccc(c(c1)Cl)O 62a_100012360047_100020667443 [0,0,0,0,0,0|2,0,2]=4 147 B13R1.511 O=C([O-])CSc1ccc(c(c1)Cl)O 62a_100020667443_100012360047 [0,0,0,0,0,0|2,0,2]=4 148 B13R1.511 O=C([O-])CSc1ccc(c(c1)F)O 62a_100000185481_100020667443 [0,0,0,0,0,0|2,0,2]=4 149 B13R1.511 O=C([O-])CSc1ccc(c(c1)F)O 62a_100020667443_100000185481 [0,0,0,0,0,0|2,0,2]=4 150 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)Br 62a_100012356990_100020667443 [0,0,0,0,0,0|2,0,2]=4 151 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)Br 62a_100020667443_100012356990 [0,0,0,0,0,0|2,0,2]=4 152 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)Cl 62a_100011356854_100020667443 [0,0,0,0,0,0|2,0,2]=4 153 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)Cl 62a_100020667443_100011356854 [0,0,0,0,0,0|2,0,2]=4 154 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)F 62a_100000686035_100020667443 [0,0,0,0,0,0|2,0,2]=4 155 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)F 62a_100020667443_100000686035 [0,0,0,0,0,0|2,0,2]=4 156 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)O 62a_100020667443_100009813601 [0,0,0,0,0,0|1,0,2]=3 157 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)O)O 34a_100102946323_100000761209 [0,0,0,0,0,0|2,0,2]=4 158 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Br)Cl 1458a_100102889548_200025704644 [0,0,0,0,0,0|3,0,0]=3 159 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Br)F 1458a_100011195070_200025704644 [0,0,0,0,0,0|3,0,0]=3 160 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Br)O 1458a_200103079279_200025704644 [0,0,0,0,0,0|2,0,0]=2 161 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Cl)Cl 1458a_100000716972_200025704644 [0,0,0,0,0,0|3,0,0]=3 162 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Cl)F 1458a_100102525453_200025704644 [0,0,0,0,0,0|3,0,0]=3 163 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Cl)O 1458a_200103117615_200025704644 [0,0,0,0,0,0|2,0,0]=2 164 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)F)Br 1458a_100102601611_200025704644 [0,0,0,0,0,0|3,0,0]=3 165 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)F)Cl 1458a_100020610926_200025704644 [0,0,0,0,0,0|3,0,0]=3 166 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)F)F 1458a_100011195075_200025704644 [0,0,0,0,0,0|3,0,0]=3 167 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)O)O 1458a_100000042615_200025704644 [0,0,0,0,0,0|1,0,2]=3 168 B12R1.21 CC(=O)/C=C/c1ccc(cc1)O 271570a_203496583355_200016259395 [1,0,0,0,0,0|1,0,0]=2 169 B12R1.21 CC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200000210301 [1,0,0,0,0,0|2,0,0]=3 170 B12R1.21 CC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_200000210301 [1,0,0,0,0,0|2,0,0]=3 171 B12R1.21 CC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200000210301 [1,0,0,0,0,0|2,0,0]=3 172 B12R1.21 CC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200000210301 [1,0,0,0,0,0|2,0,0]=3 173 B12R1.21 CC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200000210301 [1,0,0,0,0,0|2,0,0]=3 174 B12R1.21 CC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_200000210301 [1,0,0,0,0,0|3,0,0]=4 175 B12R1.21 CC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_200000210301 [1,0,0,0,0,0|3,0,0]=4 176 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000070787_100009816426 [1,0,0,0,0,0|1,0,2]=4 177 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000742835_200000210301 [1,0,0,0,0,0|1,0,2]=4 178 B12R1.21 CC(=O)CCc1ccc(cc1)O 271570a_203496583355_100000723691 [1,0,0,0,0,0|1,0,2]=4 179 B12R1.21 CC(=O)COc1ccc(cc1)O 1458a_100000031633_200000210301 [1,0,0,0,0,0|2,0,1]=4 180 B12R1.21 CC(=O)NCc1ccc(cc1)O 240690a_100000185549_100015343762 [1,0,0,0,0,0|2,0,1]=4 181 B12R1.21 CC(=O)NCc1ccc(cc1)O 271570a_203496583355_200000685173 [1,0,0,0,0,0|2,0,1]=4 182 B12R1.21 CC(=O)NCc1ccc(cc1)O 527a_100000185549_100103153847 [1,0,0,0,0,0|2,0,1]=4 183 B12R1.21 CC(=O)NNc1ccc(cc1)O 271570a_203496583355_200009815283 [1,0,0,0,0,0|3,0,0]=4 184 B12R1.21 CC(C)C=Cc1ccc(cc1)O 271570a_100016257149_100000185759 [1,0,0,0,0,0|2,0,1]=4 185 B12R1.21 CC(O)C=Cc1ccc(cc1)Br 271570a_200011019289_100000752885 [1,0,0,0,0,0|2,0,1]=4 186 B12R1.21 CC(O)C=Cc1ccc(cc1)Cl 271570a_200011019289_100000755918 [1,0,0,0,0,0|2,0,1]=4 187 B12R1.21 CC(O)C=Cc1ccc(cc1)F 271570a_200011019289_100000211213 [1,0,0,0,0,0|2,0,1]=4 188 B12R1.21 CC(O)C=Cc1ccc(cc1)N 271570a_200011019289_100000185761 [1,0,0,0,0,0|2,0,1]=4 189 B12R1.21 CC(O)C=Cc1ccc(cc1)O 271570a_200011019289_100000185759 [1,0,0,0,0,0|1,0,1]=3 190 B12R1.21 CC(O)C=Cc1ccc(cn1)O 271570a_200011019289_100000685995 [1,0,0,0,0,0|2,0,1]=4 191 B12R1.21 Cc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000716854_200025704644 [1,0,0,0,0,0|2,0,0]=3 192 B12R1.21 Cc1ccc(cc1)C=CC(C)O 271570a_200011019289_100000186775 [1,0,0,0,0,0|2,0,1]=4 193 B12R1.21 NC(=O)CCc1ccc(cc1)O 271570a_203496583355_200010110666 [1,0,0,0,0,0|1,0,2]=4 194 B12R1.21 NC(=O)CNc1ccc(cc1)O 34a_100000185829_100000187820 [1,0,0,0,0,0|2,0,1]=4 195 B12R1.21 NC(=O)CSc1ccc(cc1)O 271570a_203496583355_100000149456 [1,0,0,0,0,0|2,0,1]=4 196 B12R1.21 NC(=O)CSc1ccc(cc1)O 62a_100000747473_100000185759 [1,0,0,0,0,0|2,0,1]=4 197 B12R1.21 O=C([O-])CNc1ccc(cc1)O 34a_100000185829_100020667443 [1,0,0,0,0,0|1,0,2]=4 198 B12R1.21 O=C([O-])CSc1ccc(cc1)O 62a_100020667443_100000185759 [1,0,0,0,0,0|1,0,2]=4 199 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200025704644 [1,0,0,0,0,0|2,0,0]=3 200 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200025704644 [1,0,0,0,0,0|2,0,0]=3 201 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200025704644 [1,0,0,0,0,0|2,0,0]=3 202 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200025704644 [1,0,0,0,0,0|2,0,0]=3 203 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cn1)F 1458a_100020630499_200025704644 [1,0,0,0,0,0|3,0,0]=4 204 B12R1.21 [13CH3]C(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_200025704644 [1,0,0,0,0,0|3,0,0]=4 205 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)O 1458a_100000742835_200025704644 [1,0,0,0,0,0|1,0,2]=4 206 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)O 1458a_100000031633_200025704644 [1,0,0,0,0,0|2,0,1]=4 207 B12R1.226 CC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_200016266566 [1,0,0,0,0,0|1,0,0]=2 208 B12R1.226 CC(=O)C#Cc1cccc(c1)O 1458a_200009909484_200000210301 [1,0,0,0,0,0|1,0,2]=4 209 B12R1.226 CC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_200000210301 [1,0,0,0,0,0|2,0,0]=3 210 B12R1.226 CC(=O)C=Cc1cccc(c1)C 1458a_100000690095_200000210301 [1,0,0,0,0,0|2,0,0]=3 211 B12R1.226 CC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_200000210301 [1,0,0,0,0,0|2,0,0]=3 212 B12R1.226 CC(=O)C=Cc1cccc(c1)F 1458a_100000718793_200000210301 [1,0,0,0,0,0|2,0,0]=3 213 B12R1.226 CC(=O)C=Cc1cccc(c1)I 1458a_100020647043_200000210301 [1,0,0,0,0,0|2,0,0]=3 214 B12R1.226 CC(=O)CCc1cccc(c1)O 1458a_100011216126_200000210301 [1,0,0,0,0,0|1,0,2]=4 215 B12R1.226 CC(=O)CCc1cccc(c1)O 271570a_203496583355_100011279149 [1,0,0,0,0,0|1,0,2]=4 216 B12R1.226 CC(=O)NCc1cccc(c1)O 240690a_100000743036_100015343762 [1,0,0,0,0,0|2,0,1]=4 217 B12R1.226 CC(=O)NCc1cccc(c1)O 271570a_203496583355_100000766983 [1,0,0,0,0,0|2,0,1]=4 218 B12R1.226 CC(=O)NCc1cccc(c1)O 527a_100000743036_100103153847 [1,0,0,0,0,0|2,0,1]=4 219 B12R1.226 CC(C)C=Cc1cccc(c1)O 271570a_100016257149_100000211634 [1,0,0,0,0,0|2,0,1]=4 220 B12R1.226 CC(O)C=Cc1cc(ccn1)O 271570a_200011019289_100000762945 [1,0,0,0,0,0|2,0,1]=4 221 B12R1.226 CC(O)C=Cc1cccc(c1)Br 271570a_200011019289_100000691529 [1,0,0,0,0,0|2,0,1]=4 222 B12R1.226 CC(O)C=Cc1cccc(c1)Cl 271570a_200011019289_100000699651 [1,0,0,0,0,0|2,0,1]=4 223 B12R1.226 CC(O)C=Cc1cccc(c1)F 271570a_200011019289_100000685547 [1,0,0,0,0,0|2,0,1]=4 224 B12R1.226 CC(O)C=Cc1cccc(c1)N 271570a_200011019289_100000210019 [1,0,0,0,0,0|2,0,1]=4 225 B12R1.226 CC(O)C=Cc1cccc(c1)O 271570a_200011019289_100000211634 [1,0,0,0,0,0|1,0,1]=3 226 B12R1.226 CC(O)C=Cc1cccc(c1)[S] 271570a_200011019289_114929384022 [1,0,0,0,0,0|1,1,1]=4 227 B12R1.226 CC(O)C=Cc1cncc(c1)O 271570a_200011019289_100000754920 [1,0,0,0,0,0|2,0,1]=4 228 B12R1.226 Cc1cccc(c1)C=CC(=O)[13CH3] 1458a_100000690095_200025704644 [1,0,0,0,0,0|2,0,0]=3 229 B12R1.226 Cc1cccc(c1)C=CC(C)O 271570a_200011019289_100011215228 [1,0,0,0,0,0|2,0,1]=4 230 B12R1.226 NC(=O)CCc1cccc(c1)O 271570a_203496583355_100000162029 [1,0,0,0,0,0|1,0,2]=4 231 B12R1.226 NC(=O)CNc1cccc(c1)O 34a_100000210217_100000187820 [1,0,0,0,0,0|2,0,1]=4 232 B12R1.226 NC(=O)COc1cccc(c1)O 271570a_203496583355_200000150604 [1,0,0,0,0,0|2,0,1]=4 233 B12R1.226 NC(=O)CSc1cccc(c1)O 62a_100000747473_100000211634 [1,0,0,0,0,0|2,0,1]=4 234 B12R1.226 O=C([O-])CNc1cccc(c1)O 34a_100000210217_100020667443 [1,0,0,0,0,0|1,0,2]=4 235 B12R1.226 O=C([O-])CSc1cccc(c1)O 62a_100020667443_100000211634 [1,0,0,0,0,0|1,0,2]=4 236 B12R1.226 [13CH3]C(=O)C#Cc1cccc(c1)O 1458a_200009909484_200025704644 [1,0,0,0,0,0|1,0,2]=4 237 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)Br 1458a_100016258244_200025704644 [1,0,0,0,0,0|2,0,0]=3 238 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_200025704644 [1,0,0,0,0,0|2,0,0]=3 239 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)F 1458a_100000718793_200025704644 [1,0,0,0,0,0|2,0,0]=3 240 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)I 1458a_100020647043_200025704644 [1,0,0,0,0,0|2,0,0]=3 241 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)O 1458a_100011216126_200025704644 [1,0,0,0,0,0|1,0,2]=4 242 B12R1.385 C=CCNc1ccc(c(c1)O)O 34a_100102946323_100015514636 [1,0,0,0,0,0|2,0,1]=4 243 B12R1.385 C=CCSc1ccc(c(c1)O)O 62a_100000210623_100009813601 [1,0,0,0,0,0|2,0,1]=4 244 B12R1.385 Cc1cc(ccc1O)NCC=O 34a_100011218179_200009817547 [1,0,0,0,0,0|2,0,1]=4 245 B12R1.385 Cc1cc(ccc1O)NCC=O 7a_100011218179_200015260668 [1,0,0,0,0,0|2,0,1]=4 246 B12R1.385 Cc1cc(ccc1O)SCC=O 62a_200015260668_100000186361 [1,0,0,0,0,0|2,0,1]=4 247 B12R1.385 Cc1ccc(cc1O)NCC=O 34a_100000759471_200009817547 [1,0,0,0,0,0|2,0,1]=4 248 B12R1.385 Cc1ccc(cc1O)NCC=O 7a_100000759471_200015260668 [1,0,0,0,0,0|2,0,1]=4 249 B12R1.385 Cc1ccc(cc1O)SCC=O 62a_100000685420_200015260668 [1,0,0,0,0,0|2,0,1]=4 250 B12R1.385 Cc1ccc(cc1O)SCC=O 62a_200015260668_100000685420 [1,0,0,0,0,0|2,0,1]=4 251 B12R1.385 Nc1cc(ccc1O)SCC=O 62a_100000752626_200015260668 [1,0,0,0,0,0|2,0,1]=4 252 B12R1.385 Nc1cc(ccc1O)SCC=O 62a_200015260668_100000752626 [1,0,0,0,0,0|2,0,1]=4 253 B12R1.385 Nc1ccc(cc1O)SCC=O 62a_100000739049_200015260668 [1,0,0,0,0,0|2,0,1]=4 254 B12R1.385 Nc1ccc(cc1O)SCC=O 62a_200015260668_100000739049 [1,0,0,0,0,0|2,0,1]=4 255 B12R1.385 O=CCNc1ccc(c(c1)Br)O 34a_100011534360_200009817547 [1,0,0,0,0,0|2,0,1]=4 256 B12R1.385 O=CCNc1ccc(c(c1)Cl)O 34a_100000744943_200009817547 [1,0,0,0,0,0|2,0,1]=4 257 B12R1.385 O=CCNc1ccc(c(c1)F)O 34a_100011220035_200009817547 [1,0,0,0,0,0|2,0,1]=4 258 B12R1.385 O=CCNc1ccc(c(c1)F)O 7a_100011220035_200015260668 [1,0,0,0,0,0|2,0,1]=4 259 B12R1.385 O=CCNc1ccc(c(c1)O)Cl 34a_100011934209_200009817547 [1,0,0,0,0,0|2,0,1]=4 260 B12R1.385 O=CCNc1ccc(c(c1)O)F 34a_100012017398_200009817547 [1,0,0,0,0,0|2,0,1]=4 261 B12R1.385 O=CCNc1ccc(c(c1)O)F 7a_100012017398_200015260668 [1,0,0,0,0,0|2,0,1]=4 262 B12R1.385 O=CCNc1ccc(c(c1)O)O 34a_100102946323_200009817547 [1,0,0,0,0,0|1,0,1]=3 263 B12R1.385 O=CCSc1ccc(c(c1)Br)O 62a_100012361655_200015260668 [1,0,0,0,0,0|2,0,1]=4 264 B12R1.385 O=CCSc1ccc(c(c1)Br)O 62a_200015260668_100012361655 [1,0,0,0,0,0|2,0,1]=4 265 B12R1.385 O=CCSc1ccc(c(c1)Cl)O 62a_100012360047_200015260668 [1,0,0,0,0,0|2,0,1]=4 266 B12R1.385 O=CCSc1ccc(c(c1)Cl)O 62a_200015260668_100012360047 [1,0,0,0,0,0|2,0,1]=4 267 B12R1.385 O=CCSc1ccc(c(c1)F)O 62a_100000185481_200015260668 [1,0,0,0,0,0|2,0,1]=4 268 B12R1.385 O=CCSc1ccc(c(c1)F)O 62a_200015260668_100000185481 [1,0,0,0,0,0|2,0,1]=4 269 B12R1.385 O=CCSc1ccc(c(c1)O)Br 62a_100012356990_200015260668 [1,0,0,0,0,0|2,0,1]=4 270 B12R1.385 O=CCSc1ccc(c(c1)O)Br 62a_200015260668_100012356990 [1,0,0,0,0,0|2,0,1]=4 271 B12R1.385 O=CCSc1ccc(c(c1)O)Cl 62a_100011356854_200015260668 [1,0,0,0,0,0|2,0,1]=4 272 B12R1.385 O=CCSc1ccc(c(c1)O)Cl 62a_200015260668_100011356854 [1,0,0,0,0,0|2,0,1]=4 273 B12R1.385 O=CCSc1ccc(c(c1)O)F 62a_100000686035_200015260668 [1,0,0,0,0,0|2,0,1]=4 274 B12R1.385 O=CCSc1ccc(c(c1)O)F 62a_200015260668_100000686035 [1,0,0,0,0,0|2,0,1]=4 275 B12R1.385 O=CCSc1ccc(c(c1)O)O 62a_200015260668_100009813601 [1,0,0,0,0,0|1,0,1]=3 276 B12R1.385 OCCNc1ccc(c(c1)O)O 34a_100102946323_100000211926 [1,0,0,0,0,0|1,0,2]=4 277 B12R1.385 OCCSc1ccc(c(c1)O)O 62a_100000211926_100009813601 [1,0,0,0,0,0|1,0,2]=4 278 B14R1.42 CC(C)C=Cc1ccc(c(c1)CO)O 271570a_100016257149_100000184703 [0,1,0,0,0,0|2,0,1]=4 279 B14R1.42 CC(O)C=Cc1ccc(c(c1)C#N)O 271570a_200011019289_100000687585 [0,1,0,0,0,0|2,0,1]=4 280 B14R1.42 CC(O)C=Cc1ccc(c(c1)C=O)O 271570a_200011019289_100000186750 [0,1,0,0,0,0|1,0,2]=4 281 B14R1.42 CC(O)C=Cc1ccc(c(c1)CN)O 271570a_200011019289_100000730032 [0,1,0,0,0,0|2,0,1]=4 282 B14R1.42 CC(O)C=Cc1ccc(c(c1)CO)Br 271570a_200011019289_100012359683 [0,1,0,0,0,0|2,0,1]=4 283 B14R1.42 CC(O)C=Cc1ccc(c(c1)CO)Cl 271570a_200011019289_100010128486 [0,1,0,0,0,0|2,0,1]=4 284 B14R1.42 CC(O)C=Cc1ccc(c(c1)CO)F 271570a_200011019289_100000049604 [0,1,0,0,0,0|2,0,1]=4 285 B14R1.42 CC(O)C=Cc1ccc(c(c1)CO)N 271570a_200011019289_100012353972 [0,1,0,0,0,0|2,0,1]=4 286 B14R1.42 CC(O)C=Cc1ccc(c(c1)CO)O 271570a_200011019289_100000184703 [0,1,0,0,0,0|1,0,1]=3 287 B14R1.42 CC(O)C=Cc1cnc(c(c1)CO)O 271570a_200011019289_100010065268 [0,1,0,0,0,0|2,0,1]=4 288 B14R1.42 CCc1cc(ccc1O)C=CC(C)O 271570a_200011019289_100012338938 [0,1,0,0,0,0|2,0,1]=4 289 B14R1.42 COc1cc(ccc1Br)C=CC(=O)C 1458a_100016267305_200000210301 [0,1,0,0,0,0|2,0,0]=3 290 B14R1.42 COc1cc(ccc1Br)C=CC(=O)[13CH3] 1458a_100016267305_200025704644 [0,1,0,0,0,0|2,0,0]=3 291 B14R1.42 COc1cc(ccc1Br)C=CC(C)O 271570a_200011019289_100012353699 [0,1,0,0,0,0|2,0,1]=4 292 B14R1.42 COc1cc(ccc1C)C=CC(C)O 271570a_200011019289_100011830276 [0,1,0,0,0,0|2,0,1]=4 293 B14R1.42 COc1cc(ccc1Cl)C=CC(C)O 271570a_200011019289_100011356853 [0,1,0,0,0,0|2,0,1]=4 294 B14R1.42 COc1cc(ccc1F)C=CC(C)O 271570a_200011019289_100011934186 [0,1,0,0,0,0|2,0,1]=4 295 B14R1.42 COc1cc(ccc1N)C=CC(C)O 271570a_200011019289_100011279103 [0,1,0,0,0,0|2,0,1]=4 296 B14R1.42 COc1cc(ccc1O)C=CC(=O)C 1458a_100000182119_200000210301 [0,1,0,0,0,0|1,0,0]=2 297 B14R1.42 COc1cc(ccc1O)C=CC(=O)[13CH3] 1458a_100000182119_200025704644 [0,1,0,0,0,0|1,0,0]=2 298 B14R1.42 COc1cc(ccc1O)C=CC(C)C 271570a_100016257149_100000694246 [0,1,0,0,0,0|2,0,1]=4 299 B14R1.42 COc1cc(ccc1O)C=CC(C)O 271570a_200011019289_100000694246 [0,1,0,0,0,0|1,0,1]=3 300 B14R1.42 COc1cc(ccc1O)CCC(=O)C 1458a_100000070787_100010741665 [0,1,0,0,0,0|1,0,2]=4 301 B14R1.42 COc1cc(ccc1O)CCC(=O)C 1458a_100011216321_200000210301 [0,1,0,0,0,0|1,0,2]=4 302 B14R1.42 COc1cc(ccc1O)CCC(=O)[13CH3] 1458a_100011216321_200025704644 [0,1,0,0,0,0|1,0,2]=4 303 B14R1.42 COc1cc(ccc1O)CNC(=O)C 11a_100000185554_100015343762 [0,1,0,0,0,0|2,0,1]=4 304 B14R1.42 COc1cc(ccc1O)CNC(=O)C 240690a_100000185554_100015343762 [0,1,0,0,0,0|2,0,1]=4 305 B14R1.42 COc1cc(ccc1O)CNC(=O)C 527a_100000185554_100103153847 [0,1,0,0,0,0|2,0,1]=4 306 B14R1.42 COc1cc(ccc1O)NCC(=O)N 34a_100000726020_100000187820 [0,1,0,0,0,0|2,0,1]=4 307 B14R1.42 COc1cc(ccc1O)NCC(=O)[O-] 34a_100000726020_100020667443 [0,1,0,0,0,0|1,0,2]=4 308 B14R1.42 COc1cc(ccc1O)SCC(=O)N 62a_100000747473_100000694246 [0,1,0,0,0,0|2,0,1]=4 309 B14R1.42 COc1cc(ccc1O)SCC(=O)[O-] 62a_100020667443_100000694246 [0,1,0,0,0,0|1,0,2]=4 310 B14R1.42 COc1nc(ccc1O)C=CC(C)O 271570a_200011019289_100010893133 [0,1,0,0,0,0|2,0,1]=4 311 B14R1.42 Cc1ccc(cc1CO)C=CC(C)O 271570a_200011019289_100000700630 [0,1,0,0,0,0|2,0,1]=4 312 B14R1.42 NC(=O)CSc1ccc(c(c1)CO)O 62a_100000184703_100000747473 [0,1,0,0,0,0|2,0,1]=4 313 B14R1.42 NC(=O)CSc1ccc(c(c1)CO)O 62a_100000747473_100000184703 [0,1,0,0,0,0|2,0,1]=4 314 B14R1.42 O=C([O-])CSc1ccc(c(c1)CO)O 62a_100000184703_100020667443 [0,1,0,0,0,0|1,0,2]=4 315 B14R1.42 O=C([O-])CSc1ccc(c(c1)CO)O 62a_100020667443_100000184703 [0,1,0,0,0,0|1,0,2]=4 316 B14R1.684 CC(C)(C)C=Cc1ccc(c(c1)O)O 271570a_100102527731_100009813601 [0,1,0,0,0,0|2,0,1]=4 317 B14R1.684 CC(C)(O)C=Cc1ccc(c(c1)Br)O 271570a_200016258132_100012361655 [0,1,0,0,0,0|2,0,1]=4 318 B14R1.684 CC(C)(O)C=Cc1ccc(c(c1)Cl)O 271570a_200016258132_100012360047 [0,1,0,0,0,0|2,0,1]=4 319 B14R1.684 CC(C)(O)C=Cc1ccc(c(c1)F)O 271570a_200016258132_100000185481 [0,1,0,0,0,0|2,0,1]=4 320 B14R1.684 CC(C)(O)C=Cc1ccc(c(c1)N)O 271570a_200016258132_100000752626 [0,1,0,0,0,0|2,0,1]=4 321 B14R1.684 CC(C)(O)C=Cc1ccc(c(c1)O)Br 271570a_200016258132_100012356990 [0,1,0,0,0,0|2,0,1]=4 322 B14R1.684 CC(C)(O)C=Cc1ccc(c(c1)O)Cl 271570a_200016258132_100011356854 [0,1,0,0,0,0|2,0,1]=4 323 B14R1.684 CC(C)(O)C=Cc1ccc(c(c1)O)F 271570a_200016258132_100000686035 [0,1,0,0,0,0|2,0,1]=4 324 B14R1.684 CC(C)(O)C=Cc1ccc(c(c1)O)N 271570a_200016258132_100000739049 [0,1,0,0,0,0|2,0,1]=4 325 B14R1.684 CC(C)(O)C=Cc1ccc(c(c1)O)O 271570a_200016258132_100009813601 [0,1,0,0,0,0|1,0,1]=3 326 B14R1.684 Cc1cc(ccc1O)C=CC(C)(C)O 271570a_200016258132_100000186361 [0,1,0,0,0,0|2,0,1]=4 327 B14R1.684 Cc1ccc(cc1O)C=CC(C)(C)O 271570a_200016258132_100000766334 [0,1,0,0,0,0|2,0,1]=4 328 B14R1.685 C=C(C)CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000748629 [0,1,0,0,0,0|2,0,1]=4 329 B14R1.685 C=C(F)CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100009893438 [0,1,0,0,0,0|2,0,1]=4 330 B14R1.685 CC(=O)CC(=O)c1ccc(c(c1)Cl)O 1458a_100000070787_200010170092 [0,1,0,0,0,0|2,0,1]=4 331 B14R1.685 CC(=O)CC(=O)c1ccc(c(c1)O)O 1458a_100000070787_100000183813 [0,1,0,0,0,0|1,0,1]=3 332 B14R1.685 CC(O)CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100011218427 [0,1,0,0,0,0|1,0,2]=4 333 B14R1.685 Cc1cc(ccc1O)C(=O)CC(=O)N 1458a_100000685612_100000187820 [0,1,0,0,0,0|2,0,1]=4 334 B14R1.685 Cc1cc(ccc1O)C(=O)CC(=O)[O-] 1458a_100000685612_100020667443 [0,1,0,0,0,0|1,0,2]=4 335 B14R1.685 Cc1ccc(cc1O)C(=O)CC(=O)N 1458a_100000233767_100000187820 [0,1,0,0,0,0|2,0,1]=4 336 B14R1.685 Cc1ccc(cc1O)C(=O)CC(=O)[O-] 1458a_100000233767_100020667443 [0,1,0,0,0,0|1,0,2]=4 337 B14R1.685 NC(=O)CC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000187820 [0,1,0,0,0,0|2,0,1]=4 338 B14R1.685 NC(=O)CC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000187820 [0,1,0,0,0,0|2,0,1]=4 339 B14R1.685 NC(=O)CC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000187820 [0,1,0,0,0,0|2,0,1]=4 340 B14R1.685 NC(=O)CC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000187820 [0,1,0,0,0,0|2,0,1]=4 341 B14R1.685 NC(=O)CC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000187820 [0,1,0,0,0,0|2,0,1]=4 342 B14R1.685 NC(=O)CC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000187820 [0,1,0,0,0,0|2,0,1]=4 343 B14R1.685 NC(=O)CC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000187820 [0,1,0,0,0,0|2,0,1]=4 344 B14R1.685 NC(=O)CC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000187820 [0,1,0,0,0,0|2,0,1]=4 345 B14R1.685 NC(=O)CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000187820 [0,1,0,0,0,0|1,0,1]=3 346 B14R1.685 O=C(C[N+](=O)[O-])c1ccc(c(c1)O)O 1458a_100000212155_100000761209 [0,1,0,0,0,0|1,0,2]=4 347 B14R1.685 O=C([O-])CC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100020667443 [0,1,0,0,0,0|1,0,2]=4 348 B14R1.685 O=C([O-])CC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100020667443 [0,1,0,0,0,0|1,0,2]=4 349 B14R1.685 O=C([O-])CC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100020667443 [0,1,0,0,0,0|1,0,2]=4 350 B14R1.685 O=C([O-])CC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100020667443 [0,1,0,0,0,0|1,0,2]=4 351 B14R1.685 O=C([O-])CC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100020667443 [0,1,0,0,0,0|1,0,2]=4 352 B14R1.685 O=C([O-])CC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100020667443 [0,1,0,0,0,0|1,0,2]=4 353 B14R1.685 O=C([O-])CC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100020667443 [0,1,0,0,0,0|1,0,2]=4 354 B14R1.685 O=C([O-])CC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100020667443 [0,1,0,0,0,0|1,0,2]=4 355 B14R1.685 O=C([O-])CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100020667443 [0,1,0,0,0,0|0,0,2]=3 356 B14R1.686 C=C(C)C(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000185857 [0,1,0,0,0,0|3,0,0]=4 357 B14R1.686 C=C(Cl)C(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000039160 [0,1,0,0,0,0|3,0,0]=4 358 B14R1.686 C=C(F)C(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000036797 [0,1,0,0,0,0|3,0,0]=4 359 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)O)O 62a_100009814033_100009813601 [0,1,0,0,0,0|2,0,1]=4 360 B14R1.686 CC(=O)C(O)Cc1ccc(c(c1)O)O 1458a_100020667051_200000210301 [0,1,0,0,0,0|1,0,2]=4 361 B14R1.686 CC(=O)N(C)Cc1ccc(c(c1)O)O 240690a_100020587154_100015343762 [0,1,0,0,0,0|2,0,1]=4 362 B14R1.686 CC(Nc1ccc(c(c1)O)O)C(=O)N 34a_100102946323_100000702099 [0,1,0,0,0,0|2,0,1]=4 363 B14R1.686 CC(Sc1ccc(c(c1)O)O)C(=O)N 62a_100000702099_100009813601 [0,1,0,0,0,0|2,0,1]=4 364 B14R1.686 C[C@@H](O)C(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000717761 [0,1,0,0,0,0|2,0,1]=4 365 B14R1.686 C[C@H](O)C(=O)Nc1ccc(c(c1)O)O 22a_100102946323_217856618621 [0,1,0,0,0,0|2,0,1]=4 366 B14R1.686 Cc1cc(ccc1O)NC(=O)C(=O)N 22a_100011218179_100011215815 [0,1,0,0,0,0|3,0,0]=4 367 B14R1.686 Cc1ccc(cc1O)NC(=O)C(=O)N 22a_100000759471_100011215815 [0,1,0,0,0,0|3,0,0]=4 368 B14R1.686 NC(=O)C(=O)Nc1ccc(c(c1)Br)O 22a_100011534360_100011215815 [0,1,0,0,0,0|3,0,0]=4 369 B14R1.686 NC(=O)C(=O)Nc1ccc(c(c1)Cl)O 22a_100000744943_100011215815 [0,1,0,0,0,0|3,0,0]=4 370 B14R1.686 NC(=O)C(=O)Nc1ccc(c(c1)F)O 22a_100011220035_100011215815 [0,1,0,0,0,0|3,0,0]=4 371 B14R1.686 NC(=O)C(=O)Nc1ccc(c(c1)O)Cl 22a_100011934209_100011215815 [0,1,0,0,0,0|3,0,0]=4 372 B14R1.686 NC(=O)C(=O)Nc1ccc(c(c1)O)F 22a_100012017398_100011215815 [0,1,0,0,0,0|3,0,0]=4 373 B14R1.686 NC(=O)C(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100011215815 [0,1,0,0,0,0|2,0,0]=3 374 B14R1.686 NC(=O)C(F)Nc1ccc(c(c1)O)O 34a_100102946323_100009813875 [0,1,0,0,0,0|2,0,1]=4 375 B14R1.686 NC(=O)C(F)Sc1ccc(c(c1)O)O 62a_100009813875_100009813601 [0,1,0,0,0,0|2,0,1]=4 376 B14R1.686 O=C([O-])C(F)Nc1ccc(c(c1)O)O 34a_100102946323_100020610796 [0,1,0,0,0,0|1,0,2]=4 377 B14R1.686 O=C([O-])C(F)Sc1ccc(c(c1)O)O 62a_100020610796_100009813601 [0,1,0,0,0,0|1,0,2]=4 378 B14R1.686 [13CH3]C(=O)C(O)Cc1ccc(c(c1)O)O 1458a_100020667051_200025704644 [0,1,0,0,0,0|1,0,2]=4 379 B14R1.833 C#CC(=O)CCc1ccc(c(c1)O)O 1458a_100000211873_200010393615 [0,1,0,0,0,0|1,0,2]=4 380 B14R1.833 C=CC(=O)CCc1ccc(c(c1)O)O 1458a_100000185746_200010393615 [0,1,0,0,0,0|1,0,2]=4 381 B14R1.833 C=CC(=O)NCc1ccc(c(c1)O)O 240690a_100000010075_200121576911 [0,1,0,0,0,0|2,0,1]=4 382 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)Br)Cl 1458a_100102889548_100000210202 [0,1,0,0,0,0|3,0,0]=4 383 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)Br)Cl 6a_100000693810_100000211110 [0,1,0,0,0,0|3,0,0]=4 384 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)Br)F 1458a_100011195070_100000210202 [0,1,0,0,0,0|3,0,0]=4 385 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)Br)F 6a_100000211747_100000211110 [0,1,0,0,0,0|3,0,0]=4 386 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)Br)O 1458a_200103079279_100000210202 [0,1,0,0,0,0|2,0,0]=3 387 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)C)C 1458a_100011338269_100000210202 [0,1,0,0,0,0|3,0,0]=4 388 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)C)C 6a_100000229942_100000211110 [0,1,0,0,0,0|3,0,0]=4 389 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)C)Cl 6a_100000698814_100000211110 [0,1,0,0,0,0|3,0,0]=4 390 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)C)F 1458a_100016261966_100000210202 [0,1,0,0,0,0|3,0,0]=4 391 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)C)F 6a_100000748208_100000211110 [0,1,0,0,0,0|3,0,0]=4 392 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)Cl)C 6a_100000760539_100000211110 [0,1,0,0,0,0|3,0,0]=4 393 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)Cl)Cl 1458a_100000716972_100000210202 [0,1,0,0,0,0|3,0,0]=4 394 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)Cl)Cl 6a_100000188533_100000211110 [0,1,0,0,0,0|3,0,0]=4 395 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)Cl)F 1458a_100102525453_100000210202 [0,1,0,0,0,0|3,0,0]=4 396 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)Cl)F 6a_100000742290_100000211110 [0,1,0,0,0,0|3,0,0]=4 397 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)Cl)O 1458a_200103117615_100000210202 [0,1,0,0,0,0|2,0,0]=3 398 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)Cl)O 6a_100000186751_100000211110 [0,1,0,0,0,0|2,0,0]=3 399 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)F)Br 1458a_100102601611_100000210202 [0,1,0,0,0,0|3,0,0]=4 400 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)F)Br 6a_100000686674_100000211110 [0,1,0,0,0,0|3,0,0]=4 401 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)F)C 1458a_100102526211_100000210202 [0,1,0,0,0,0|3,0,0]=4 402 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)F)C 6a_100000753222_100000211110 [0,1,0,0,0,0|3,0,0]=4 403 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)F)Cl 1458a_100020610926_100000210202 [0,1,0,0,0,0|3,0,0]=4 404 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)F)Cl 6a_100000745630_100000211110 [0,1,0,0,0,0|3,0,0]=4 405 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)F)F 1458a_100011195075_100000210202 [0,1,0,0,0,0|3,0,0]=4 406 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)F)F 6a_100000211062_100000211110 [0,1,0,0,0,0|3,0,0]=4 407 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)F)I 6a_100000050832_100000211110 [0,1,0,0,0,0|3,0,0]=4 408 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)F)O 6a_100000742332_100000211110 [0,1,0,0,0,0|2,0,0]=3 409 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)I)Br 6a_100010146563_100000211110 [0,1,0,0,0,0|3,0,0]=4 410 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)I)C 6a_100010197721_100000211110 [0,1,0,0,0,0|3,0,0]=4 411 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)I)Cl 6a_100010209939_100000211110 [0,1,0,0,0,0|3,0,0]=4 412 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)I)F 6a_100010188209_100000211110 [0,1,0,0,0,0|3,0,0]=4 413 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)I)O 6a_100000186752_100000211110 [0,1,0,0,0,0|2,0,0]=3 414 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)O)Cl 6a_100009876013_100000211110 [0,1,0,0,0,0|2,0,0]=3 415 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)O)F 6a_100000102368_100000211110 [0,1,0,0,0,0|2,0,0]=3 416 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)O)I 6a_100000041418_100000211110 [0,1,0,0,0,0|2,0,0]=3 417 B14R1.833 CCC(=O)CCc1ccc(c(c1)O)O 1458a_100000042615_100000210202 [0,1,0,0,0,0|1,0,2]=4 418 B14R1.833 CCC(=O)CCc1ccc(c(c1)O)O 1458a_100000210414_200010393615 [0,1,0,0,0,0|1,0,2]=4 419 B14R1.833 CCC(=O)CSc1ccc(c(c1)O)O 62a_100000747405_100009813601 [0,1,0,0,0,0|2,0,1]=4 420 B14R1.833 CCC(=O)NCc1ccc(c(c1)O)O 240690a_100000010075_100000210414 [0,1,0,0,0,0|2,0,1]=4 421 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)Br)Cl 11a_106832991635_100102889548 [0,1,0,0,0,0|3,0,0]=4 422 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)Br)Cl 1626a_100102657272_100102889548 [0,1,0,0,0,0|3,0,0]=4 423 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)Br)Cl 240690a_100102657272_100102889548 [0,1,0,0,0,0|3,0,0]=4 424 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)Br)F 11a_106832991635_100011195070 [0,1,0,0,0,0|3,0,0]=4 425 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)Br)F 1626a_100102657272_100011195070 [0,1,0,0,0,0|3,0,0]=4 426 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)Br)F 240690a_100102657272_100011195070 [0,1,0,0,0,0|3,0,0]=4 427 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)Br)O 240690a_100102657272_200103079279 [0,1,0,0,0,0|2,0,0]=3 428 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)C)C 11a_106832991635_100011338269 [0,1,0,0,0,0|3,0,0]=4 429 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)C)C 1626a_100102657272_100011338269 [0,1,0,0,0,0|3,0,0]=4 430 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)C)C 240690a_100102657272_100011338269 [0,1,0,0,0,0|3,0,0]=4 431 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)C)F 11a_106832991635_100016261966 [0,1,0,0,0,0|3,0,0]=4 432 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)C)F 1626a_100102657272_100016261966 [0,1,0,0,0,0|3,0,0]=4 433 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)C)F 240690a_100102657272_100016261966 [0,1,0,0,0,0|3,0,0]=4 434 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)Cl)Cl 11a_106832991635_100000716972 [0,1,0,0,0,0|3,0,0]=4 435 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)Cl)Cl 1626a_100102657272_100000716972 [0,1,0,0,0,0|3,0,0]=4 436 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)Cl)Cl 240690a_100102657272_100000716972 [0,1,0,0,0,0|3,0,0]=4 437 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)Cl)F 11a_106832991635_100102525453 [0,1,0,0,0,0|3,0,0]=4 438 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)Cl)F 1626a_100102657272_100102525453 [0,1,0,0,0,0|3,0,0]=4 439 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)Cl)F 240690a_100102657272_100102525453 [0,1,0,0,0,0|3,0,0]=4 440 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)Cl)O 240690a_100102657272_200103117615 [0,1,0,0,0,0|2,0,0]=3 441 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)F)Br 11a_106832991635_100102601611 [0,1,0,0,0,0|3,0,0]=4 442 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)F)Br 1626a_100102657272_100102601611 [0,1,0,0,0,0|3,0,0]=4 443 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)F)Br 240690a_100102657272_100102601611 [0,1,0,0,0,0|3,0,0]=4 444 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)F)C 11a_106832991635_100102526211 [0,1,0,0,0,0|3,0,0]=4 445 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)F)C 1626a_100102657272_100102526211 [0,1,0,0,0,0|3,0,0]=4 446 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)F)C 240690a_100102657272_100102526211 [0,1,0,0,0,0|3,0,0]=4 447 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)F)Cl 11a_106832991635_100020610926 [0,1,0,0,0,0|3,0,0]=4 448 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)F)Cl 1626a_100102657272_100020610926 [0,1,0,0,0,0|3,0,0]=4 449 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)F)Cl 240690a_100102657272_100020610926 [0,1,0,0,0,0|3,0,0]=4 450 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)F)F 11a_106832991635_100011195075 [0,1,0,0,0,0|3,0,0]=4 451 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)F)F 1626a_100102657272_100011195075 [0,1,0,0,0,0|3,0,0]=4 452 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)F)F 240690a_100102657272_100011195075 [0,1,0,0,0,0|3,0,0]=4 453 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)O)O 240690a_100102657272_100011195073 [0,1,0,0,0,0|1,0,0]=2 454 B14R1.833 CNC(=O)CNc1ccc(c(c1)O)O 34a_100102946323_100000183359 [0,1,0,0,0,0|2,0,1]=4 455 B14R1.833 CNC(=O)CSc1ccc(c(c1)O)O 62a_100000183359_100009813601 [0,1,0,0,0,0|2,0,1]=4 456 B14R1.833 CNC(=O)NCc1ccc(c(c1)O)O 2708a_100000010075_106832991635 [0,1,0,0,0,0|2,0,1]=4 457 B14R1.833 CNC(=O)NCc1ccc(c(c1)O)O 273464a_100000010075_100102657272 [0,1,0,0,0,0|2,0,1]=4 458 B14R1.833 CNC(=O)NCc1ccc(c(c1)O)O 273464a_100102657272_100000010075 [0,1,0,0,0,0|2,0,1]=4 459 B14R1.833 CNC(=O)NCc1ccc(c(c1)O)O 512a_106832991638_100000010075 [0,1,0,0,0,0|2,0,1]=4 460 B14R1.833 COC(=O)CNc1ccc(c(c1)Br)O 34a_100011534360_100000747449 [0,1,0,0,0,0|2,0,1]=4 461 B14R1.833 COC(=O)CNc1ccc(c(c1)C)O 34a_100011218179_100000747449 [0,1,0,0,0,0|2,0,1]=4 462 B14R1.833 COC(=O)CNc1ccc(c(c1)C)O 7a_100011218179_100000747449 [0,1,0,0,0,0|2,0,1]=4 463 B14R1.833 COC(=O)CNc1ccc(c(c1)Cl)O 34a_100000744943_100000747449 [0,1,0,0,0,0|2,0,1]=4 464 B14R1.833 COC(=O)CNc1ccc(c(c1)F)O 34a_100011220035_100000747449 [0,1,0,0,0,0|2,0,1]=4 465 B14R1.833 COC(=O)CNc1ccc(c(c1)F)O 7a_100011220035_100000747449 [0,1,0,0,0,0|2,0,1]=4 466 B14R1.833 COC(=O)CNc1ccc(c(c1)O)C 34a_100000759471_100000747449 [0,1,0,0,0,0|2,0,1]=4 467 B14R1.833 COC(=O)CNc1ccc(c(c1)O)C 7a_100000759471_100000747449 [0,1,0,0,0,0|2,0,1]=4 468 B14R1.833 COC(=O)CNc1ccc(c(c1)O)Cl 34a_100011934209_100000747449 [0,1,0,0,0,0|2,0,1]=4 469 B14R1.833 COC(=O)CNc1ccc(c(c1)O)F 34a_100012017398_100000747449 [0,1,0,0,0,0|2,0,1]=4 470 B14R1.833 COC(=O)CNc1ccc(c(c1)O)F 7a_100012017398_100000747449 [0,1,0,0,0,0|2,0,1]=4 471 B14R1.833 COC(=O)CNc1ccc(c(c1)O)O 34a_100102946323_100000747449 [0,1,0,0,0,0|1,0,1]=3 472 B14R1.833 COC(=O)COc1ccc(c(c1)N)O 271570a_203496583355_200010369463 [0,1,0,0,0,0|2,0,1]=4 473 B14R1.833 COC(=O)CSc1ccc(c(c1)Br)O 62a_100000747449_100012361655 [0,1,0,0,0,0|2,0,1]=4 474 B14R1.833 COC(=O)CSc1ccc(c(c1)Br)O 62a_100012361655_100000747449 [0,1,0,0,0,0|2,0,1]=4 475 B14R1.833 COC(=O)CSc1ccc(c(c1)C)O 62a_100000747449_100000186361 [0,1,0,0,0,0|2,0,1]=4 476 B14R1.833 COC(=O)CSc1ccc(c(c1)Cl)O 62a_100000747449_100012360047 [0,1,0,0,0,0|2,0,1]=4 477 B14R1.833 COC(=O)CSc1ccc(c(c1)Cl)O 62a_100012360047_100000747449 [0,1,0,0,0,0|2,0,1]=4 478 B14R1.833 COC(=O)CSc1ccc(c(c1)F)O 62a_100000185481_100000747449 [0,1,0,0,0,0|2,0,1]=4 479 B14R1.833 COC(=O)CSc1ccc(c(c1)F)O 62a_100000747449_100000185481 [0,1,0,0,0,0|2,0,1]=4 480 B14R1.833 COC(=O)CSc1ccc(c(c1)N)O 62a_100000747449_100000752626 [0,1,0,0,0,0|2,0,1]=4 481 B14R1.833 COC(=O)CSc1ccc(c(c1)N)O 62a_100000752626_100000747449 [0,1,0,0,0,0|2,0,1]=4 482 B14R1.833 COC(=O)CSc1ccc(c(c1)O)Br 62a_100000747449_100012356990 [0,1,0,0,0,0|2,0,1]=4 483 B14R1.833 COC(=O)CSc1ccc(c(c1)O)Br 62a_100012356990_100000747449 [0,1,0,0,0,0|2,0,1]=4 484 B14R1.833 COC(=O)CSc1ccc(c(c1)O)C 62a_100000685420_100000747449 [0,1,0,0,0,0|2,0,1]=4 485 B14R1.833 COC(=O)CSc1ccc(c(c1)O)C 62a_100000747449_100000685420 [0,1,0,0,0,0|2,0,1]=4 486 B14R1.833 COC(=O)CSc1ccc(c(c1)O)Cl 62a_100000747449_100011356854 [0,1,0,0,0,0|2,0,1]=4 487 B14R1.833 COC(=O)CSc1ccc(c(c1)O)Cl 62a_100011356854_100000747449 [0,1,0,0,0,0|2,0,1]=4 488 B14R1.833 COC(=O)CSc1ccc(c(c1)O)F 62a_100000686035_100000747449 [0,1,0,0,0,0|2,0,1]=4 489 B14R1.833 COC(=O)CSc1ccc(c(c1)O)F 62a_100000747449_100000686035 [0,1,0,0,0,0|2,0,1]=4 490 B14R1.833 COC(=O)CSc1ccc(c(c1)O)N 62a_100000739049_100000747449 [0,1,0,0,0,0|2,0,1]=4 491 B14R1.833 COC(=O)CSc1ccc(c(c1)O)N 62a_100000747449_100000739049 [0,1,0,0,0,0|2,0,1]=4 492 B14R1.833 COC(=O)CSc1ccc(c(c1)O)O 62a_100000747449_100009813601 [0,1,0,0,0,0|1,0,1]=3 493 B14R1.833 Cc1cc(ccc1Cl)C=CC(=O)CBr 6a_100000698814_100009888967 [0,1,0,0,0,0|3,0,0]=4 494 B14R1.833 Cc1cc(ccc1Cl)C=CC(=O)CCl 6a_100000698814_100000086384 [0,1,0,0,0,0|3,0,0]=4 495 B14R1.833 Cc1cc(ccc1Cl)C=CC(=O)CF 6a_100000698814_100000764096 [0,1,0,0,0,0|3,0,0]=4 496 B14R1.833 Cc1cc(ccc1F)C=CC(=O)CBr 6a_100000748208_100009888967 [0,1,0,0,0,0|3,0,0]=4 497 B14R1.833 Cc1cc(ccc1F)C=CC(=O)CCl 6a_100000748208_100000086384 [0,1,0,0,0,0|3,0,0]=4 498 B14R1.833 Cc1cc(ccc1F)C=CC(=O)CF 1458a_100016261966_100015361967 [0,1,0,0,0,0|3,0,0]=4 499 B14R1.833 Cc1cc(ccc1F)C=CC(=O)CF 6a_100000748208_100000764096 [0,1,0,0,0,0|3,0,0]=4 500 B14R1.833 Cc1ccc(cc1C)C=CC(=O)CBr 6a_100000229942_100009888967 [0,1,0,0,0,0|3,0,0]=4 501 B14R1.833 Cc1ccc(cc1C)C=CC(=O)CCl 6a_100000229942_100000086384 [0,1,0,0,0,0|3,0,0]=4 502 B14R1.833 Cc1ccc(cc1C)C=CC(=O)CF 1458a_100011338269_100015361967 [0,1,0,0,0,0|3,0,0]=4 503 B14R1.833 Cc1ccc(cc1C)C=CC(=O)CF 6a_100000229942_100000764096 [0,1,0,0,0,0|3,0,0]=4 504 B14R1.833 Cc1ccc(cc1Cl)C=CC(=O)CBr 6a_100000760539_100009888967 [0,1,0,0,0,0|3,0,0]=4 505 B14R1.833 Cc1ccc(cc1Cl)C=CC(=O)CCl 6a_100000760539_100000086384 [0,1,0,0,0,0|3,0,0]=4 506 B14R1.833 Cc1ccc(cc1Cl)C=CC(=O)CF 6a_100000760539_100000764096 [0,1,0,0,0,0|3,0,0]=4 507 B14R1.833 Cc1ccc(cc1F)C=CC(=O)CBr 6a_100000753222_100009888967 [0,1,0,0,0,0|3,0,0]=4 508 B14R1.833 Cc1ccc(cc1F)C=CC(=O)CCl 6a_100000753222_100000086384 [0,1,0,0,0,0|3,0,0]=4 509 B14R1.833 Cc1ccc(cc1F)C=CC(=O)CF 1458a_100102526211_100015361967 [0,1,0,0,0,0|3,0,0]=4 510 B14R1.833 Cc1ccc(cc1F)C=CC(=O)CF 6a_100000753222_100000764096 [0,1,0,0,0,0|3,0,0]=4 511 B14R1.833 Cc1ccc(cc1I)C=CC(=O)CBr 6a_100010197721_100009888967 [0,1,0,0,0,0|3,0,0]=4 512 B14R1.833 Cc1ccc(cc1I)C=CC(=O)CCl 6a_100010197721_100000086384 [0,1,0,0,0,0|3,0,0]=4 513 B14R1.833 Cc1ccc(cc1I)C=CC(=O)CF 6a_100010197721_100000764096 [0,1,0,0,0,0|3,0,0]=4 514 B14R1.833 O=C(C=Cc1ccc(c(c1)Br)Cl)CBr 6a_100000693810_100009888967 [0,1,0,0,0,0|3,0,0]=4 515 B14R1.833 O=C(C=Cc1ccc(c(c1)Br)Cl)CCl 6a_100000693810_100000086384 [0,1,0,0,0,0|3,0,0]=4 516 B14R1.833 O=C(C=Cc1ccc(c(c1)Br)Cl)CF 1458a_100102889548_100015361967 [0,1,0,0,0,0|3,0,0]=4 517 B14R1.833 O=C(C=Cc1ccc(c(c1)Br)Cl)CF 6a_100000693810_100000764096 [0,1,0,0,0,0|3,0,0]=4 518 B14R1.833 O=C(C=Cc1ccc(c(c1)Br)F)CBr 6a_100000211747_100009888967 [0,1,0,0,0,0|3,0,0]=4 519 B14R1.833 O=C(C=Cc1ccc(c(c1)Br)F)CCl 6a_100000211747_100000086384 [0,1,0,0,0,0|3,0,0]=4 520 B14R1.833 O=C(C=Cc1ccc(c(c1)Br)F)CF 1458a_100011195070_100015361967 [0,1,0,0,0,0|3,0,0]=4 521 B14R1.833 O=C(C=Cc1ccc(c(c1)Br)F)CF 6a_100000211747_100000764096 [0,1,0,0,0,0|3,0,0]=4 522 B14R1.833 O=C(C=Cc1ccc(c(c1)Br)O)CF 1458a_200103079279_100015361967 [0,1,0,0,0,0|2,0,0]=3 523 B14R1.833 O=C(C=Cc1ccc(c(c1)Cl)Cl)CBr 6a_100000188533_100009888967 [0,1,0,0,0,0|3,0,0]=4 524 B14R1.833 O=C(C=Cc1ccc(c(c1)Cl)Cl)CCl 6a_100000188533_100000086384 [0,1,0,0,0,0|3,0,0]=4 525 B14R1.833 O=C(C=Cc1ccc(c(c1)Cl)Cl)CF 1458a_100000716972_100015361967 [0,1,0,0,0,0|3,0,0]=4 526 B14R1.833 O=C(C=Cc1ccc(c(c1)Cl)Cl)CF 6a_100000188533_100000764096 [0,1,0,0,0,0|3,0,0]=4 527 B14R1.833 O=C(C=Cc1ccc(c(c1)Cl)F)CBr 6a_100000742290_100009888967 [0,1,0,0,0,0|3,0,0]=4 528 B14R1.833 O=C(C=Cc1ccc(c(c1)Cl)F)CCl 6a_100000742290_100000086384 [0,1,0,0,0,0|3,0,0]=4 529 B14R1.833 O=C(C=Cc1ccc(c(c1)Cl)F)CF 1458a_100102525453_100015361967 [0,1,0,0,0,0|3,0,0]=4 530 B14R1.833 O=C(C=Cc1ccc(c(c1)Cl)F)CF 6a_100000742290_100000764096 [0,1,0,0,0,0|3,0,0]=4 531 B14R1.833 O=C(C=Cc1ccc(c(c1)Cl)O)CBr 6a_100000186751_100009888967 [0,1,0,0,0,0|2,0,0]=3 532 B14R1.833 O=C(C=Cc1ccc(c(c1)Cl)O)CCl 6a_100000186751_100000086384 [0,1,0,0,0,0|2,0,0]=3 533 B14R1.833 O=C(C=Cc1ccc(c(c1)Cl)O)CF 1458a_200103117615_100015361967 [0,1,0,0,0,0|2,0,0]=3 534 B14R1.833 O=C(C=Cc1ccc(c(c1)Cl)O)CF 6a_100000186751_100000764096 [0,1,0,0,0,0|2,0,0]=3 535 B14R1.833 O=C(C=Cc1ccc(c(c1)F)Br)CBr 6a_100000686674_100009888967 [0,1,0,0,0,0|3,0,0]=4 536 B14R1.833 O=C(C=Cc1ccc(c(c1)F)Br)CCl 6a_100000686674_100000086384 [0,1,0,0,0,0|3,0,0]=4 537 B14R1.833 O=C(C=Cc1ccc(c(c1)F)Br)CF 1458a_100102601611_100015361967 [0,1,0,0,0,0|3,0,0]=4 538 B14R1.833 O=C(C=Cc1ccc(c(c1)F)Br)CF 6a_100000686674_100000764096 [0,1,0,0,0,0|3,0,0]=4 539 B14R1.833 O=C(C=Cc1ccc(c(c1)F)Cl)CBr 6a_100000745630_100009888967 [0,1,0,0,0,0|3,0,0]=4 540 B14R1.833 O=C(C=Cc1ccc(c(c1)F)Cl)CCl 6a_100000745630_100000086384 [0,1,0,0,0,0|3,0,0]=4 541 B14R1.833 O=C(C=Cc1ccc(c(c1)F)Cl)CF 1458a_100020610926_100015361967 [0,1,0,0,0,0|3,0,0]=4 542 B14R1.833 O=C(C=Cc1ccc(c(c1)F)Cl)CF 6a_100000745630_100000764096 [0,1,0,0,0,0|3,0,0]=4 543 B14R1.833 O=C(C=Cc1ccc(c(c1)F)F)CBr 6a_100000211062_100009888967 [0,1,0,0,0,0|3,0,0]=4 544 B14R1.833 O=C(C=Cc1ccc(c(c1)F)F)CCl 6a_100000211062_100000086384 [0,1,0,0,0,0|3,0,0]=4 545 B14R1.833 O=C(C=Cc1ccc(c(c1)F)F)CF 1458a_100011195075_100015361967 [0,1,0,0,0,0|3,0,0]=4 546 B14R1.833 O=C(C=Cc1ccc(c(c1)F)F)CF 6a_100000211062_100000764096 [0,1,0,0,0,0|3,0,0]=4 547 B14R1.833 O=C(C=Cc1ccc(c(c1)F)I)CBr 6a_100000050832_100009888967 [0,1,0,0,0,0|3,0,0]=4 548 B14R1.833 O=C(C=Cc1ccc(c(c1)F)I)CCl 6a_100000050832_100000086384 [0,1,0,0,0,0|3,0,0]=4 549 B14R1.833 O=C(C=Cc1ccc(c(c1)F)I)CF 6a_100000050832_100000764096 [0,1,0,0,0,0|3,0,0]=4 550 B14R1.833 O=C(C=Cc1ccc(c(c1)F)O)CBr 6a_100000742332_100009888967 [0,1,0,0,0,0|2,0,0]=3 551 B14R1.833 O=C(C=Cc1ccc(c(c1)F)O)CCl 6a_100000742332_100000086384 [0,1,0,0,0,0|2,0,0]=3 552 B14R1.833 O=C(C=Cc1ccc(c(c1)F)O)CF 6a_100000742332_100000764096 [0,1,0,0,0,0|2,0,0]=3 553 B14R1.833 O=C(C=Cc1ccc(c(c1)I)Br)CBr 6a_100010146563_100009888967 [0,1,0,0,0,0|3,0,0]=4 554 B14R1.833 O=C(C=Cc1ccc(c(c1)I)Br)CCl 6a_100010146563_100000086384 [0,1,0,0,0,0|3,0,0]=4 555 B14R1.833 O=C(C=Cc1ccc(c(c1)I)Br)CF 6a_100010146563_100000764096 [0,1,0,0,0,0|3,0,0]=4 556 B14R1.833 O=C(C=Cc1ccc(c(c1)I)Cl)CBr 6a_100010209939_100009888967 [0,1,0,0,0,0|3,0,0]=4 557 B14R1.833 O=C(C=Cc1ccc(c(c1)I)Cl)CCl 6a_100010209939_100000086384 [0,1,0,0,0,0|3,0,0]=4 558 B14R1.833 O=C(C=Cc1ccc(c(c1)I)Cl)CF 6a_100010209939_100000764096 [0,1,0,0,0,0|3,0,0]=4 559 B14R1.833 O=C(C=Cc1ccc(c(c1)I)F)CBr 6a_100010188209_100009888967 [0,1,0,0,0,0|3,0,0]=4 560 B14R1.833 O=C(C=Cc1ccc(c(c1)I)F)CCl 6a_100010188209_100000086384 [0,1,0,0,0,0|3,0,0]=4 561 B14R1.833 O=C(C=Cc1ccc(c(c1)I)F)CF 6a_100010188209_100000764096 [0,1,0,0,0,0|3,0,0]=4 562 B14R1.833 O=C(C=Cc1ccc(c(c1)I)O)CBr 6a_100000186752_100009888967 [0,1,0,0,0,0|2,0,0]=3 563 B14R1.833 O=C(C=Cc1ccc(c(c1)I)O)CCl 6a_100000186752_100000086384 [0,1,0,0,0,0|2,0,0]=3 564 B14R1.833 O=C(C=Cc1ccc(c(c1)I)O)CF 6a_100000186752_100000764096 [0,1,0,0,0,0|2,0,0]=3 565 B14R1.833 O=C(C=Cc1ccc(c(c1)O)Cl)CBr 6a_100009876013_100009888967 [0,1,0,0,0,0|2,0,0]=3 566 B14R1.833 O=C(C=Cc1ccc(c(c1)O)Cl)CCl 6a_100009876013_100000086384 [0,1,0,0,0,0|2,0,0]=3 567 B14R1.833 O=C(C=Cc1ccc(c(c1)O)Cl)CF 6a_100009876013_100000764096 [0,1,0,0,0,0|2,0,0]=3 568 B14R1.833 O=C(C=Cc1ccc(c(c1)O)F)CBr 6a_100000102368_100009888967 [0,1,0,0,0,0|2,0,0]=3 569 B14R1.833 O=C(C=Cc1ccc(c(c1)O)F)CCl 6a_100000102368_100000086384 [0,1,0,0,0,0|2,0,0]=3 570 B14R1.833 O=C(C=Cc1ccc(c(c1)O)F)CF 6a_100000102368_100000764096 [0,1,0,0,0,0|2,0,0]=3 571 B14R1.833 O=C(C=Cc1ccc(c(c1)O)I)CBr 6a_100000041418_100009888967 [0,1,0,0,0,0|2,0,0]=3 572 B14R1.833 O=C(C=Cc1ccc(c(c1)O)I)CCl 6a_100000041418_100000086384 [0,1,0,0,0,0|2,0,0]=3 573 B14R1.833 O=C(C=Cc1ccc(c(c1)O)I)CF 6a_100000041418_100000764096 [0,1,0,0,0,0|2,0,0]=3 574 B14R1.833 O=C(CF)CCc1ccc(c(c1)O)O 1458a_100000042615_100015361967 [0,1,0,0,0,0|1,0,2]=4 575 B14R1.833 O=C(CO)CCc1ccc(c(c1)O)O 1458a_100000210174_200010393615 [0,1,0,0,0,0|0,0,2]=3 576 B14R1.833 O=C(CO)NCc1ccc(c(c1)F)O 240690a_100000758358_100000210174 [0,1,0,0,0,0|2,0,1]=4 577 B14R1.833 O=C(CO)NCc1ccc(c(c1)F)O 527a_100000758358_100000210174 [0,1,0,0,0,0|2,0,1]=4 578 B14R1.833 O=C(CO)NCc1ccc(c(c1)O)Cl 240690a_100020636435_100000210174 [0,1,0,0,0,0|2,0,1]=4 579 B14R1.833 O=C(CO)NCc1ccc(c(c1)O)Cl 527a_100020636435_100000210174 [0,1,0,0,0,0|2,0,1]=4 580 B14R1.833 O=C(CO)NCc1ccc(c(c1)O)F 240690a_100160469508_100000210174 [0,1,0,0,0,0|2,0,1]=4 581 B14R1.833 O=C(CO)NCc1ccc(c(c1)O)F 527a_100160469508_100000210174 [0,1,0,0,0,0|2,0,1]=4 582 B14R1.833 O=C(CO)NCc1ccc(c(c1)O)O 240690a_100000010075_100000210174 [0,1,0,0,0,0|1,0,1]=3 583 B14R1.3653 CC(C)C=Cc1ccc(c(c1)O)CO 271570a_100016257149_100000071718 [0,1,0,0,0,0|2,0,1]=4 584 B14R1.3653 CC(O)C=Cc1ccc(c(c1)Br)CO 271570a_200011019289_100010240206 [0,1,0,0,0,0|2,0,1]=4 585 B14R1.3653 CC(O)C=Cc1ccc(c(c1)F)CO 271570a_200011019289_100011191541 [0,1,0,0,0,0|2,0,1]=4 586 B14R1.3653 CC(O)C=Cc1ccc(c(c1)N)CO 271570a_200011019289_100000718831 [0,1,0,0,0,0|2,0,1]=4 587 B14R1.3653 CC(O)C=Cc1ccc(c(c1)O)C#N 271570a_200011019289_100011934713 [0,1,0,0,0,0|2,0,1]=4 588 B14R1.3653 CC(O)C=Cc1ccc(c(c1)O)C=O 271570a_200011019289_100011277552 [0,1,0,0,0,0|1,0,2]=4 589 B14R1.3653 CC(O)C=Cc1ccc(c(c1)O)CO 271570a_200011019289_100000071718 [0,1,0,0,0,0|1,0,1]=3 590 B14R1.3653 COc1ccc(cc1Br)C=CC(=O)C 1458a_200000186738_200000210301 [0,1,0,0,0,0|2,0,0]=3 591 B14R1.3653 COc1ccc(cc1Br)C=CC(=O)[13CH3] 1458a_200000186738_200025704644 [0,1,0,0,0,0|2,0,0]=3 592 B14R1.3653 COc1ccc(cc1Br)C=CC(C)O 271570a_200011019289_100011249507 [0,1,0,0,0,0|2,0,1]=4 593 B14R1.3653 COc1ccc(cc1C)C=CC(=O)C 1458a_100116352456_200000210301 [0,1,0,0,0,0|2,0,0]=3 594 B14R1.3653 COc1ccc(cc1C)C=CC(=O)[13CH3] 1458a_100116352456_200025704644 [0,1,0,0,0,0|2,0,0]=3 595 B14R1.3653 COc1ccc(cc1C)C=CC(C)O 271570a_200011019289_100011219705 [0,1,0,0,0,0|2,0,1]=4 596 B14R1.3653 COc1ccc(cc1Cl)C=CC(=O)C 1458a_100000735007_200000210301 [0,1,0,0,0,0|2,0,0]=3 597 B14R1.3653 COc1ccc(cc1Cl)C=CC(=O)[13CH3] 1458a_100000735007_200025704644 [0,1,0,0,0,0|2,0,0]=3 598 B14R1.3653 COc1ccc(cc1Cl)C=CC(C)O 271570a_200011019289_100012355395 [0,1,0,0,0,0|2,0,1]=4 599 B14R1.3653 COc1ccc(cc1F)C=CC(=O)C 1458a_100102526129_200000210301 [0,1,0,0,0,0|2,0,0]=3 600 B14R1.3653 COc1ccc(cc1F)C=CC(=O)[13CH3] 1458a_100102526129_200025704644 [0,1,0,0,0,0|2,0,0]=3 601 B14R1.3653 COc1ccc(cc1F)C=CC(C)O 271570a_200011019289_100000185480 [0,1,0,0,0,0|2,0,1]=4 602 B14R1.3653 COc1ccc(cc1N)C=CC(C)O 271570a_200011019289_100000743470 [0,1,0,0,0,0|2,0,1]=4 603 B14R1.3653 COc1ccc(cc1O)/C=C/C(=O)C 271570a_203496583355_200016254069 [0,1,0,0,0,0|1,0,0]=2 604 B14R1.3653 COc1ccc(cc1O)C=CC(=O)C 1458a_100000184920_200000210301 [0,1,0,0,0,0|1,0,0]=2 605 B14R1.3653 COc1ccc(cc1O)C=CC(=O)[13CH3] 1458a_100000184920_200025704644 [0,1,0,0,0,0|1,0,0]=2 606 B14R1.3653 COc1ccc(cc1O)C=CC(C)C 271570a_100016257149_100009816560 [0,1,0,0,0,0|2,0,1]=4 607 B14R1.3653 COc1ccc(cc1O)C=CC(C)O 271570a_200011019289_100009816560 [0,1,0,0,0,0|1,0,1]=3 608 B14R1.3653 COc1ccc(cc1O)CCC(=O)C 1458a_100000746301_200000210301 [0,1,0,0,0,0|1,0,2]=4 609 B14R1.3653 COc1ccc(cc1O)CCC(=O)[13CH3] 1458a_100000746301_200025704644 [0,1,0,0,0,0|1,0,2]=4 610 B14R1.3653 COc1ccc(cc1O)CNC(=O)C 240690a_100000740000_100015343762 [0,1,0,0,0,0|2,0,1]=4 611 B14R1.3653 COc1ccc(cc1O)CNC(=O)C 527a_100000740000_100103153847 [0,1,0,0,0,0|2,0,1]=4 612 B14R1.3653 COc1ccc(cc1O)NCC(=O)N 34a_100000211920_100000187820 [0,1,0,0,0,0|2,0,1]=4 613 B14R1.3653 COc1ccc(cc1O)NCC(=O)[O-] 34a_100000211920_100020667443 [0,1,0,0,0,0|1,0,2]=4 614 B14R1.3653 COc1ccc(cc1O)SCC(=O)N 62a_100000747473_100009816560 [0,1,0,0,0,0|2,0,1]=4 615 B14R1.3653 COc1ccc(cc1O)SCC(=O)[O-] 62a_100020667443_100009816560 [0,1,0,0,0,0|1,0,2]=4 616 B14R1.3653 COc1cnc(cc1O)C=CC(C)O 271570a_200011019289_100010264082 [0,1,0,0,0,0|2,0,1]=4 617 B14R1.3653 COc1ncc(cc1O)C=CC(C)O 271570a_200011019289_100010135713 [0,1,0,0,0,0|2,0,1]=4 618 B14R1.3653 Cc1cc(ccc1CO)C=CC(C)O 271570a_200011019289_100000748258 [0,1,0,0,0,0|2,0,1]=4 619 B14R1.3653 NC(=O)CSc1ccc(c(c1)O)CO 62a_100000071718_100000747473 [0,1,0,0,0,0|2,0,1]=4 620 B14R1.3653 NC(=O)CSc1ccc(c(c1)O)CO 62a_100000747473_100000071718 [0,1,0,0,0,0|2,0,1]=4 621 B14R1.3653 O=C([O-])CSc1ccc(c(c1)O)CO 62a_100000071718_100020667443 [0,1,0,0,0,0|1,0,2]=4 622 B14R1.3653 O=C([O-])CSc1ccc(c(c1)O)CO 62a_100020667443_100000071718 [0,1,0,0,0,0|1,0,2]=4 623 B14R1.6036 CC(=O)C=Cc1cc(c(cc1C)C)C 1458a_100000739386_200000210301 [0,1,0,0,0,0|3,0,0]=4 624 B14R1.6036 CC(=O)C=Cc1cc(c(cc1F)F)F 1458a_100102526214_200000210301 [0,1,0,0,0,0|3,0,0]=4 625 B14R1.6036 CC(O)C=Cc1cc(c(cc1Br)Cl)O 271570a_200011019289_100021297947 [0,1,0,0,0,0|2,0,1]=4 626 B14R1.6036 CC(O)C=Cc1cc(c(cc1Cl)O)N 271570a_200011019289_100011011175 [0,1,0,0,0,0|2,0,1]=4 627 B14R1.6036 CC(O)C=Cc1cc(c(cc1F)Cl)O 271570a_200011019289_100010735246 [0,1,0,0,0,0|2,0,1]=4 628 B14R1.6036 CC(O)C=Cc1cc(c(cc1F)F)O 271570a_200011019289_100012457948 [0,1,0,0,0,0|2,0,1]=4 629 B14R1.6036 CC(O)C=Cc1cc(c(cc1F)N)O 271570a_200011019289_100013038943 [0,1,0,0,0,0|2,0,1]=4 630 B14R1.6036 CC(O)C=Cc1cc(c(cc1F)O)F 271570a_200011019289_100011830439 [0,1,0,0,0,0|2,0,1]=4 631 B14R1.6036 CC(O)C=Cc1cc(c(cc1F)O)N 271570a_200011019289_100012359894 [0,1,0,0,0,0|2,0,1]=4 632 B14R1.6036 Cc1cc(c(cc1C)C=CC(=O)[13CH3])C 1458a_100000739386_200025704644 [0,1,0,0,0,0|3,0,0]=4 633 B14R1.6036 Cc1cc(c(cc1C=CC(C)O)F)O 271570a_200011019289_100012355673 [0,1,0,0,0,0|2,0,1]=4 634 B14R1.6036 Cc1cc(c(cc1C=CC(C)O)N)O 271570a_200011019289_200010235796 [0,1,0,0,0,0|2,0,1]=4 635 B14R1.6036 Cc1cc(c(cc1C=CC(C)O)O)F 271570a_200011019289_100010068922 [0,1,0,0,0,0|2,0,1]=4 636 B14R1.6036 Cc1cc(c(cc1C=CC(C)O)O)N 271570a_200011019289_200010107346 [0,1,0,0,0,0|2,0,1]=4 637 B14R1.6036 Cc1cc(c(cc1O)C)C=CC(C)O 271570a_200011019289_100000698207 [0,1,0,0,0,0|2,0,1]=4 638 B14R1.6036 Cc1cc(c(cc1O)C=CC(C)O)F 271570a_200011019289_100014242602 [0,1,0,0,0,0|2,0,1]=4 639 B14R1.6036 [13CH3]C(=O)C=Cc1cc(c(cc1F)F)F 1458a_100102526214_200025704644 [0,1,0,0,0,0|3,0,0]=4 640 B14R1.6059 CC(=O)C=Cc1ccc(c(c1F)F)F 1458a_100016275240_200000210301 [0,1,0,0,0,0|3,0,0]=4 641 B14R1.6059 CC(O)C=Cc1ccc(c(c1F)F)O 271570a_200011019289_100011830415 [0,1,0,0,0,0|2,0,1]=4 642 B14R1.6059 CC(O)C=Cc1ccc(c(c1F)O)Br 271570a_200011019289_200010782288 [0,1,0,0,0,0|2,0,1]=4 643 B14R1.6059 CC(O)C=Cc1ccc(c(c1F)O)F 271570a_200011019289_100010167067 [0,1,0,0,0,0|2,0,1]=4 644 B14R1.6059 CC(O)C=Cc1ccc(c(c1N)O)Br 271570a_200011019289_100020748643 [0,1,0,0,0,0|2,0,1]=4 645 B14R1.6059 Cc1c(ccc(c1C)C=CC(C)O)O 271570a_200011019289_100012353674 [0,1,0,0,0,0|2,0,1]=4 646 B14R1.6059 Cc1c(ccc(c1F)C=CC(C)O)O 271570a_200011019289_100010390934 [0,1,0,0,0,0|2,0,1]=4 647 B14R1.6059 Cc1c(ccc(c1N)O)C=CC(C)O 271570a_200011019289_100013039247 [0,1,0,0,0,0|2,0,1]=4 648 B14R1.6059 [13CH3]C(=O)C=Cc1ccc(c(c1F)F)F 1458a_100016275240_200025704644 [0,1,0,0,0,0|3,0,0]=4 649 B14R1.15552 CC(=O)C=Cc1cc(c(c(c1)F)F)F 1458a_100016255326_200000210301 [0,1,0,0,0,0|3,0,0]=4 650 B14R1.15552 CC(O)C=Cc1cc(c(c(c1)Cl)O)Cl 271570a_200011019289_100012339652 [0,1,0,0,0,0|2,0,1]=4 651 B14R1.15552 CC(O)C=Cc1cc(c(c(c1)F)F)O 271570a_200011019289_100000709865 [0,1,0,0,0,0|2,0,1]=4 652 B14R1.15552 CC(O)C=Cc1cc(c(c(c1)F)N)O 271570a_200011019289_100015475841 [0,1,0,0,0,0|2,0,1]=4 653 B14R1.15552 CC(O)C=Cc1cc(c(c(c1)F)O)F 271570a_200011019289_100011216917 [0,1,0,0,0,0|2,0,1]=4 654 B14R1.15552 CC(O)C=Cc1cc(c(c(c1)F)O)N 271570a_200011019289_100011217383 [0,1,0,0,0,0|2,0,1]=4 655 B14R1.15552 Cc1cc(cc(c1N)O)C=CC(C)O 271570a_200011019289_100010371313 [0,1,0,0,0,0|2,0,1]=4 656 B14R1.15552 Cc1cc(cc(c1O)Br)C=CC(C)O 271570a_200011019289_100010982682 [0,1,0,0,0,0|2,0,1]=4 657 B14R1.15552 Cc1cc(cc(c1O)C)C=CC(C)O 271570a_200011019289_100000187306 [0,1,0,0,0,0|2,0,1]=4 658 B14R1.15552 Cc1cc(cc(c1O)Cl)C=CC(C)O 271570a_200011019289_200015900153 [0,1,0,0,0,0|2,0,1]=4 659 B14R1.15552 Cc1cc(cc(c1O)N)C=CC(C)O 271570a_200011019289_100011825904 [0,1,0,0,0,0|2,0,1]=4 660 B14R1.15552 NC(=O)CSc1cc(c(c(c1)F)O)O 62a_100000747473_100010114375 [0,1,0,0,0,0|2,0,1]=4 661 B14R1.15552 NC(=O)CSc1cc(c(c(c1)O)O)O 62a_100000747473_100010658518 [0,1,0,0,0,0|2,0,1]=4 662 B14R1.15552 O=C([O-])CSc1cc(c(c(c1)F)O)O 62a_100020667443_100010114375 [0,1,0,0,0,0|1,0,2]=4 663 B14R1.15552 O=C([O-])CSc1cc(c(c(c1)O)O)O 62a_100020667443_100010658518 [0,1,0,0,0,0|1,0,2]=4 664 B14R1.15552 [13CH3]C(=O)C=Cc1cc(c(c(c1)F)F)F 1458a_100016255326_200025704644 [0,1,0,0,0,0|3,0,0]=4 665 B14R2.8239 Oc1ccc2cc(c(cc2c1)O)O 271570a_203496583355_100010179872 [0,0,0,1,0,0|1,0,0]=2 666 B14R2.10591 Oc1ccc(cc1O)C=CC2CC2 271570a_100102526188_100009813601 [0,0,0,1,0,0|2,0,1]=4 667 B12R1.19 CC(=Cc1ccc(c(c1)Br)O)C 271570a_100102525489_100012361655 [0,0,0,0,1,0|3,0,0]=4 668 B12R1.19 CC(=Cc1ccc(c(c1)C)O)C 271570a_100102525489_100000186361 [0,0,0,0,1,0|3,0,0]=4 669 B12R1.19 CC(=Cc1ccc(c(c1)Cl)O)C 271570a_100102525489_100012360047 [0,0,0,0,1,0|3,0,0]=4 670 B12R1.19 CC(=Cc1ccc(c(c1)F)O)C 271570a_100102525489_100000185481 [0,0,0,0,1,0|3,0,0]=4 671 B12R1.19 CC(=Cc1ccc(c(c1)N)O)C 271570a_100102525489_100000752626 [0,0,0,0,1,0|3,0,0]=4 672 B12R1.19 CC(=Cc1ccc(c(c1)O)Br)C 271570a_100102525489_100012356990 [0,0,0,0,1,0|3,0,0]=4 673 B12R1.19 CC(=Cc1ccc(c(c1)O)C)C 271570a_100102525489_100000766334 [0,0,0,0,1,0|3,0,0]=4 674 B12R1.19 CC(=Cc1ccc(c(c1)O)Cl)C 271570a_100102525489_100011356854 [0,0,0,0,1,0|3,0,0]=4 675 B12R1.19 CC(=Cc1ccc(c(c1)O)F)C 271570a_100102525489_100000686035 [0,0,0,0,1,0|3,0,0]=4 676 B12R1.19 CC(=Cc1ccc(c(c1)O)N)C 271570a_100102525489_100000739049 [0,0,0,0,1,0|3,0,0]=4 677 B12R1.19 CC(=Cc1ccc(c(c1)O)O)C 271570a_100102525489_100009813601 [0,0,0,0,1,0|2,0,0]=3 678 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_200000210301 [0,0,0,0,1,0|2,0,1]=4 679 B12R1.19 CC(=O)Cc1ccc(c(c1)C)O 1458a_100000083968_200000210301 [0,0,0,0,1,0|2,0,1]=4 680 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_200000210301 [0,0,0,0,1,0|2,0,1]=4 681 B12R1.19 CC(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_200000210301 [0,0,0,0,1,0|2,0,1]=4 682 B12R1.19 CC(=O)Cc1ccc(c(c1)O)C 1458a_100000082272_200000210301 [0,0,0,0,1,0|2,0,1]=4 683 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_200000210301 [0,0,0,0,1,0|1,0,1]=3 684 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 271570a_203496583355_100010141077 [0,0,0,0,1,0|1,0,1]=3 685 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)O 22a_100011534360_100000070787 [0,0,0,0,1,0|3,0,0]=4 686 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)O 527a_100011534360_100103153847 [0,0,0,0,1,0|3,0,0]=4 687 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 11a_100011218179_100015343762 [0,0,0,0,1,0|3,0,0]=4 688 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 22a_100011218179_100000070787 [0,0,0,0,1,0|3,0,0]=4 689 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 271570a_203496583355_100000155607 [0,0,0,0,1,0|3,0,0]=4 690 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 527a_100011218179_100103153847 [0,0,0,0,1,0|3,0,0]=4 691 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)O 22a_100000744943_100000070787 [0,0,0,0,1,0|3,0,0]=4 692 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 22a_100011220035_100000070787 [0,0,0,0,1,0|3,0,0]=4 693 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 271570a_203496583355_100011219590 [0,0,0,0,1,0|3,0,0]=4 694 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 527a_100011220035_100103153847 [0,0,0,0,1,0|3,0,0]=4 695 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 11a_100000759471_100015343762 [0,0,0,0,1,0|3,0,0]=4 696 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 22a_100000759471_100000070787 [0,0,0,0,1,0|3,0,0]=4 697 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 271570a_203496583355_100011221169 [0,0,0,0,1,0|3,0,0]=4 698 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 527a_100000759471_100103153847 [0,0,0,0,1,0|3,0,0]=4 699 B12R1.19 CC(=O)Nc1ccc(c(c1)O)Cl 22a_100011934209_100000070787 [0,0,0,0,1,0|3,0,0]=4 700 B12R1.19 CC(=O)Nc1ccc(c(c1)O)F 22a_100012017398_100000070787 [0,0,0,0,1,0|3,0,0]=4 701 B12R1.19 CC(=O)Nc1ccc(c(c1)O)F 271570a_203496583355_100012348134 [0,0,0,0,1,0|3,0,0]=4 702 B12R1.19 CC(=O)Nc1ccc(c(c1)O)F 527a_100012017398_100103153847 [0,0,0,0,1,0|3,0,0]=4 703 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000070787 [0,0,0,0,1,0|2,0,0]=3 704 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100103153847 [0,0,0,0,1,0|2,0,0]=3 705 B12R1.19 CC(=O)Oc1ccc(c(c1)O)C 271570a_203496583355_200025702335 [0,0,0,0,1,0|3,0,0]=4 706 B12R1.19 Cc1cc(ccc1O)CC(=O)[13CH3] 1458a_100000083968_200025704644 [0,0,0,0,1,0|2,0,1]=4 707 B12R1.19 Cc1cc(ccc1O)NC(=O)N 271570a_203496583355_100000238934 [0,0,0,0,1,0|3,0,0]=4 708 B12R1.19 Cc1ccc(cc1O)CC(=O)[13CH3] 1458a_100000082272_200025704644 [0,0,0,0,1,0|2,0,1]=4 709 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_200025704644 [0,0,0,0,1,0|2,0,1]=4 710 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_200025704644 [0,0,0,0,1,0|2,0,1]=4 711 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_200025704644 [0,0,0,0,1,0|2,0,1]=4 712 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_200025704644 [0,0,0,0,1,0|1,0,1]=3 713 B14R1.687 CC(=CCNc1ccc(c(c1)O)O)C 34a_100102946323_100000761012 [0,0,0,0,0,1|2,0,1]=4 714 B14R1.687 CC(=CCSc1ccc(c(c1)O)O)C 62a_100000761012_100009813601 [0,0,0,0,0,1|2,0,1]=4 715 B14R1.687 CC(=O)CCSc1ccc(c(c1)O)O 62a_100000053229_100009813601 [0,0,0,0,0,1|1,0,2]=4 716 B14R1.687 CC(=O)NCCc1ccc(c(c1)O)O 240690a_100000210387_100015343762 [0,0,0,0,0,1|1,0,2]=4 717 B14R1.687 CC(=O)NCCc1ccc(c(c1)O)O 527a_100000210387_100103153847 [0,0,0,0,0,1|1,0,2]=4 718 B14R1.687 CC(=O)NN=Cc1ccc(c(c1)Br)O 4a_100000189765_100000184552 [0,0,0,0,0,1|3,0,0]=4 719 B14R1.687 CC(=O)NN=Cc1ccc(c(c1)C)O 4a_100000189765_100011215669 [0,0,0,0,0,1|3,0,0]=4 720 B14R1.687 CC(=O)NN=Cc1ccc(c(c1)Cl)O 4a_100000189765_100000186751 [0,0,0,0,0,1|3,0,0]=4 721 B14R1.687 CC(=O)NN=Cc1ccc(c(c1)F)O 4a_100000189765_100000742332 [0,0,0,0,0,1|3,0,0]=4 722 B14R1.687 CC(=O)NN=Cc1ccc(c(c1)I)O 4a_100000189765_100000186752 [0,0,0,0,0,1|3,0,0]=4 723 B14R1.687 CC(=O)NN=Cc1ccc(c(c1)O)Br 4a_100000189765_100010235083 [0,0,0,0,0,1|3,0,0]=4 724 B14R1.687 CC(=O)NN=Cc1ccc(c(c1)O)C 4a_100000189765_100011361566 [0,0,0,0,0,1|3,0,0]=4 725 B14R1.687 CC(=O)NN=Cc1ccc(c(c1)O)Cl 4a_100000189765_100009876013 [0,0,0,0,0,1|3,0,0]=4 726 B14R1.687 CC(=O)NN=Cc1ccc(c(c1)O)F 4a_100000189765_100000102368 [0,0,0,0,0,1|3,0,0]=4 727 B14R1.687 CC(=O)NN=Cc1ccc(c(c1)O)I 4a_100000189765_100000041418 [0,0,0,0,0,1|3,0,0]=4 728 B14R1.687 CC(=O)NN=Cc1ccc(c(c1)O)O 4a_100000189765_100000184535 [0,0,0,0,0,1|2,0,0]=3 729 B14R1.687 CC(=O)OCNc1ccc(c(c1)O)O 34a_100102946323_100009813279 [0,0,0,0,0,1|2,0,1]=4 730 B14R1.687 CC(=O)OCSc1ccc(c(c1)O)O 62a_100000076356_100009813601 [0,0,0,0,0,1|2,0,1]=4 731 B14R1.687 CC(C)CC=Cc1ccc(c(c1)O)O 271570a_100016259101_100009813601 [0,0,0,0,0,1|2,0,1]=4 732 B14R1.687 NC(=O)CCNc1ccc(c(c1)O)O 34a_100102946323_100000731001 [0,0,0,0,0,1|1,0,2]=4 733 B14R1.687 NC(=O)CCSc1ccc(c(c1)O)O 62a_100000744528_100009813601 [0,0,0,0,0,1|1,0,2]=4 734 B14R1.687 NC(=O)CNCc1ccc(c(c1)O)O 34a_100000010075_100000187820 [0,0,0,0,0,1|1,0,2]=4 735 B14R1.687 O=C([O-])CNCc1ccc(c(c1)O)O 34a_100000010075_100020667443 [0,0,0,0,0,1|0,0,3]=4 736 B11R1.1 COC=Cc1ccc(cc1)O 271570a_203496583355_100020630460 [2,0,0,0,0,0|2,0,0]=4 737 B11R1.1 O=CCCc1ccc(cc1)O 271570a_203496583355_100011361538 [2,0,0,0,0,0|0,0,2]=4 738 B11R1.1 O=CCNc1ccc(cc1)O 34a_100000185829_200009817547 [2,0,0,0,0,0|1,0,1]=4 739 B11R1.1 O=CCSc1ccc(cc1)O 62a_200015260668_100000185759 [2,0,0,0,0,0|1,0,1]=4 740 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [2,0,0,0,0,0|1,0,0]=3 741 B11R1.91 CC(=O)C=Cc1ccccn1 1458a_100000740811_200000210301 [2,0,0,0,0,0|2,0,0]=4 742 B11R1.91 CC(=O)C=Cc1cccnc1 1458a_100000735890_200000210301 [2,0,0,0,0,0|2,0,0]=4 743 B11R1.91 CC(=O)C=Cc1ccncc1 1458a_100000682801_200000210301 [2,0,0,0,0,0|2,0,0]=4 744 B11R1.91 CC(O)C=Cc1ccccc1 271570a_200011019289_100000210277 [2,0,0,0,0,0|1,0,1]=4 745 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [2,0,0,0,0,0|1,0,0]=3 746 B11R1.91 [13CH3]C(=O)C=Cc1ccccn1 1458a_100000740811_200025704644 [2,0,0,0,0,0|2,0,0]=4 747 B11R1.91 [13CH3]C(=O)C=Cc1cccnc1 1458a_100000735890_200025704644 [2,0,0,0,0,0|2,0,0]=4 748 B11R1.91 [13CH3]C(=O)C=Cc1ccncc1 1458a_100000682801_200025704644 [2,0,0,0,0,0|2,0,0]=4 749 B11R1.24 O=CCNc1cccc(c1)O 34a_100000210217_200009817547 [2,0,0,0,0,0|1,0,1]=4 750 B11R1.24 O=CCSc1cccc(c1)O 62a_200015260668_100000211634 [2,0,0,0,0,0|1,0,1]=4 751 B11R1.192 C=C=Cc1ccc(c(c1)Br)O 271570a_100015277604_100012361655 [2,0,0,0,0,0|1,0,1]=4 752 B11R1.192 C=C=Cc1ccc(c(c1)C)O 271570a_100015277604_100000186361 [2,0,0,0,0,0|1,0,1]=4 753 B11R1.192 C=C=Cc1ccc(c(c1)Cl)O 271570a_100015277604_100012360047 [2,0,0,0,0,0|1,0,1]=4 754 B11R1.192 C=C=Cc1ccc(c(c1)F)O 271570a_100015277604_100000185481 [2,0,0,0,0,0|1,0,1]=4 755 B11R1.192 C=C=Cc1ccc(c(c1)N)O 271570a_100015277604_100000752626 [2,0,0,0,0,0|1,0,1]=4 756 B11R1.192 C=C=Cc1ccc(c(c1)O)Br 271570a_100015277604_100012356990 [2,0,0,0,0,0|1,0,1]=4 757 B11R1.192 C=C=Cc1ccc(c(c1)O)C 271570a_100015277604_100000766334 [2,0,0,0,0,0|1,0,1]=4 758 B11R1.192 C=C=Cc1ccc(c(c1)O)Cl 271570a_100015277604_100011356854 [2,0,0,0,0,0|1,0,1]=4 759 B11R1.192 C=C=Cc1ccc(c(c1)O)F 271570a_100015277604_100000686035 [2,0,0,0,0,0|1,0,1]=4 760 B11R1.192 C=C=Cc1ccc(c(c1)O)N 271570a_100015277604_100000739049 [2,0,0,0,0,0|1,0,1]=4 761 B11R1.192 C=C=Cc1ccc(c(c1)O)O 271570a_100015277604_100009813601 [2,0,0,0,0,0|0,0,1]=3 762 B11R1.192 CC=Cc1ccc(c(c1)Br)O 271570a_100016259895_100012361655 [2,0,0,0,0,0|1,0,1]=4 763 B11R1.192 CC=Cc1ccc(c(c1)C)O 271570a_100016259895_100000186361 [2,0,0,0,0,0|1,0,1]=4 764 B11R1.192 CC=Cc1ccc(c(c1)Cl)O 271570a_100016259895_100012360047 [2,0,0,0,0,0|1,0,1]=4 765 B11R1.192 CC=Cc1ccc(c(c1)F)O 271570a_100016259895_100000185481 [2,0,0,0,0,0|1,0,1]=4 766 B11R1.192 CC=Cc1ccc(c(c1)N)O 271570a_100016259895_100000752626 [2,0,0,0,0,0|1,0,1]=4 767 B11R1.192 CC=Cc1ccc(c(c1)O)Br 271570a_100016259895_100012356990 [2,0,0,0,0,0|1,0,1]=4 768 B11R1.192 CC=Cc1ccc(c(c1)O)C 271570a_100016259895_100000766334 [2,0,0,0,0,0|1,0,1]=4 769 B11R1.192 CC=Cc1ccc(c(c1)O)Cl 271570a_100016259895_100011356854 [2,0,0,0,0,0|1,0,1]=4 770 B11R1.192 CC=Cc1ccc(c(c1)O)F 271570a_100016259895_100000686035 [2,0,0,0,0,0|1,0,1]=4 771 B11R1.192 CC=Cc1ccc(c(c1)O)N 271570a_100016259895_100000739049 [2,0,0,0,0,0|1,0,1]=4 772 B11R1.192 CC=Cc1ccc(c(c1)O)O 271570a_100016259895_100009813601 [2,0,0,0,0,0|0,0,1]=3 773 B13R1.3 C=Cc1ccc(cc1)/C=C/C(=O)C 271570a_100011290941_200016259395 [1,1,0,0,0,0|2,0,0]=4 774 B13R1.3 CC(=O)/C=C/c1ccc(cc1)O[13CH3] 34a_100000189429_200025704644 [1,1,0,0,0,0|1,0,0]=3 775 B13R1.3 CC(=O)/C=C/c1ccc(cc1)S[13CH3] 62a_200016259395_200025704644 [1,1,0,0,0,0|1,1,0]=4 776 B13R1.3 CC(=O)/C=C/c1ccc(cc1)S[13CH3] 62a_200025704644_200016259395 [1,1,0,0,0,0|1,1,0]=4 777 B13R1.3 CC(=O)C=Cc1ccc(cc1)C#N 1458a_100000185084_200000210301 [1,1,0,0,0,0|2,0,0]=4 778 B13R1.3 CC(O)C=Cc1ccc(cc1)CO 271570a_200011019289_100000690907 [1,1,0,0,0,0|1,0,1]=4 779 B13R1.3 CCc1ccc(cc1)C=CC(=O)C 1458a_100000187855_200000210301 [1,1,0,0,0,0|2,0,0]=4 780 B13R1.3 CCc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000187855_200025704644 [1,1,0,0,0,0|2,0,0]=4 781 B13R1.3 COc1ccc(cc1)/C=C/C(=O)C 34a_100000189429_200000210301 [1,1,0,0,0,0|1,0,0]=3 782 B13R1.3 COc1ccc(cc1)/C=C/[N+](=O)[O-] 34a_100102610870_200000210301 [1,1,0,0,0,0|1,0,1]=4 783 B13R1.3 COc1ccc(cc1)C=CC(=O)C 1458a_100000184205_200000210301 [1,1,0,0,0,0|1,0,0]=3 784 B13R1.3 COc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000184205_200025704644 [1,1,0,0,0,0|1,0,0]=3 785 B13R1.3 COc1ccc(cc1)C=CC(C)O 271570a_200011019289_100000171711 [1,1,0,0,0,0|1,0,1]=4 786 B13R1.3 CSc1ccc(cc1)/C=C/C(=O)C 62a_200000210301_200016259395 [1,1,0,0,0,0|1,1,0]=4 787 B13R1.3 CSc1ccc(cc1)/C=C/C(=O)C 62a_200016259395_200000210301 [1,1,0,0,0,0|1,1,0]=4 788 B13R1.3 CSc1ccc(cc1)C=CC(=O)C 1458a_100102526083_200000210301 [1,1,0,0,0,0|1,1,0]=4 789 B13R1.3 CSc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100102526083_200025704644 [1,1,0,0,0,0|1,1,0]=4 790 B13R1.3 [13CH3]C(=O)C=Cc1ccc(cc1)C#N 1458a_100000185084_200025704644 [1,1,0,0,0,0|2,0,0]=4 791 B13R1.3 [13CH3]Oc1ccc(cc1)/C=C/[N+](=O)[O-] 34a_100102610870_200025704644 [1,1,0,0,0,0|1,0,1]=4 792 B13R1.14 CCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000210202 [1,1,0,0,0,0|2,0,0]=4 793 B13R1.14 CCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000211110 [1,1,0,0,0,0|2,0,0]=4 794 B13R1.14 CCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000210202 [1,1,0,0,0,0|2,0,0]=4 795 B13R1.14 CCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000210202 [1,1,0,0,0,0|2,0,0]=4 796 B13R1.14 CCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000210202 [1,1,0,0,0,0|2,0,0]=4 797 B13R1.14 CCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000211110 [1,1,0,0,0,0|2,0,0]=4 798 B13R1.14 CCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000210202 [1,1,0,0,0,0|2,0,0]=4 799 B13R1.14 CCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000211110 [1,1,0,0,0,0|2,0,0]=4 800 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Br 11a_106832991635_100016267368 [1,1,0,0,0,0|2,0,0]=4 801 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Br 1626a_100102657272_100016267368 [1,1,0,0,0,0|2,0,0]=4 802 B13R1.14 CNC(=O)C=Cc1ccc(cc1)C 11a_106832991635_100000716854 [1,1,0,0,0,0|2,0,0]=4 803 B13R1.14 CNC(=O)C=Cc1ccc(cc1)C 1626a_100102657272_100000716854 [1,1,0,0,0,0|2,0,0]=4 804 B13R1.14 CNC(=O)C=Cc1ccc(cc1)C 240690a_100102657272_100000716854 [1,1,0,0,0,0|2,0,0]=4 805 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Cl 11a_106832991635_100000184863 [1,1,0,0,0,0|2,0,0]=4 806 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Cl 1626a_100102657272_100000184863 [1,1,0,0,0,0|2,0,0]=4 807 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Cl 240690a_100102657272_100000184863 [1,1,0,0,0,0|2,0,0]=4 808 B13R1.14 CNC(=O)C=Cc1ccc(cc1)F 11a_106832991635_100000182136 [1,1,0,0,0,0|2,0,0]=4 809 B13R1.14 CNC(=O)C=Cc1ccc(cc1)F 1626a_100102657272_100000182136 [1,1,0,0,0,0|2,0,0]=4 810 B13R1.14 CNC(=O)C=Cc1ccc(cc1)F 240690a_100102657272_100000182136 [1,1,0,0,0,0|2,0,0]=4 811 B13R1.14 CNC(=O)C=Cc1ccc(cc1)I 11a_106832991635_100102526154 [1,1,0,0,0,0|2,0,0]=4 812 B13R1.14 CNC(=O)C=Cc1ccc(cc1)I 1626a_100102657272_100102526154 [1,1,0,0,0,0|2,0,0]=4 813 B13R1.14 CNC(=O)C=Cc1ccc(cc1)I 240690a_100102657272_100102526154 [1,1,0,0,0,0|2,0,0]=4 814 B13R1.14 CNC(=O)C=Cc1ccc(cc1)O 240690a_100102657272_100016269017 [1,1,0,0,0,0|1,0,0]=3 815 B13R1.14 COC(=O)/C=C/c1ccc(cc1)O 271570a_203496583355_100000148628 [1,1,0,0,0,0|0,0,0]=2 816 B13R1.14 COC(=O)C#Cc1ccc(cc1)O 271570a_203496583355_100012100070 [1,1,0,0,0,0|0,0,2]=4 817 B13R1.14 COC(=O)CCc1ccc(cc1)O 271570a_203496583355_100012357364 [1,1,0,0,0,0|0,0,2]=4 818 B13R1.14 COC(=O)CNc1ccc(cc1)O 34a_100000185829_100000747449 [1,1,0,0,0,0|1,0,1]=4 819 B13R1.14 COC(=O)COc1ccc(cc1)O 271570a_203496583355_100000149925 [1,1,0,0,0,0|1,0,1]=4 820 B13R1.14 COC(=O)CSc1ccc(cc1)O 62a_100000747449_100000185759 [1,1,0,0,0,0|1,0,1]=4 821 B13R1.14 Cc1ccc(cc1)C=CC(=O)CF 1458a_100000716854_100015361967 [1,1,0,0,0,0|2,0,0]=4 822 B13R1.14 O=C(C=Cc1ccc(cc1)Br)CBr 6a_100000186029_100009888967 [1,1,0,0,0,0|2,0,0]=4 823 B13R1.14 O=C(C=Cc1ccc(cc1)Br)CCl 6a_100000186029_100000086384 [1,1,0,0,0,0|2,0,0]=4 824 B13R1.14 O=C(C=Cc1ccc(cc1)Br)CF 1458a_100016267368_100015361967 [1,1,0,0,0,0|2,0,0]=4 825 B13R1.14 O=C(C=Cc1ccc(cc1)Br)CF 6a_100000186029_100000764096 [1,1,0,0,0,0|2,0,0]=4 826 B13R1.14 O=C(C=Cc1ccc(cc1)Cl)CF 1458a_100000184863_100015361967 [1,1,0,0,0,0|2,0,0]=4 827 B13R1.14 O=C(C=Cc1ccc(cc1)F)CBr 6a_100000210084_100009888967 [1,1,0,0,0,0|2,0,0]=4 828 B13R1.14 O=C(C=Cc1ccc(cc1)F)CCl 6a_100000210084_100000086384 [1,1,0,0,0,0|2,0,0]=4 829 B13R1.14 O=C(C=Cc1ccc(cc1)F)CF 1458a_100000182136_100015361967 [1,1,0,0,0,0|2,0,0]=4 830 B13R1.14 O=C(C=Cc1ccc(cc1)F)CF 6a_100000210084_100000764096 [1,1,0,0,0,0|2,0,0]=4 831 B13R1.14 O=C(C=Cc1ccc(cc1)I)CBr 6a_100000188517_100009888967 [1,1,0,0,0,0|2,0,0]=4 832 B13R1.14 O=C(C=Cc1ccc(cc1)I)CCl 6a_100000188517_100000086384 [1,1,0,0,0,0|2,0,0]=4 833 B13R1.14 O=C(C=Cc1ccc(cc1)I)CF 1458a_100102526154_100015361967 [1,1,0,0,0,0|2,0,0]=4 834 B13R1.14 O=C(C=Cc1ccc(cc1)I)CF 6a_100000188517_100000764096 [1,1,0,0,0,0|2,0,0]=4 835 B13R1.14 O=C(CO)CCc1ccc(cc1)O 1458a_100000210174_100009816426 [1,1,0,0,0,0|0,0,2]=4 836 B13R1.14 O=C(CO)NCc1ccc(cc1)O 240690a_100000185549_100000210174 [1,1,0,0,0,0|1,0,1]=4 837 B13R1.14 O=C(CO)NCc1ccc(cc1)O 527a_100000185549_100000210174 [1,1,0,0,0,0|1,0,1]=4 838 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)O 1458a_100000070787_100009814261 [1,1,0,0,0,0|1,0,1]=4 839 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)O 271570a_203496583355_100000184285 [1,1,0,0,0,0|1,0,1]=4 840 B13R1.132 NC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000187820 [1,1,0,0,0,0|1,0,1]=4 841 B13R1.132 O=C([O-])CC(=O)c1ccc(cc1)O 1458a_100000212099_100020667443 [1,1,0,0,0,0|0,0,2]=4 842 B13R1.133 C/C(=C\c1ccc(cc1)F)/C(=O)[13CH3] 1458a_100053117043_200025704644 [1,1,0,0,0,0|2,0,0]=4 843 B13R1.133 CC(=O)/C(=C/c1ccc(cc1)F)/C 1458a_100053117043_200000210301 [1,1,0,0,0,0|2,0,0]=4 844 B13R1.133 NC(=O)C(=O)Nc1ccc(cc1)O 22a_100000185829_100011215815 [1,1,0,0,0,0|2,0,0]=4 845 B13R1.164 CC(=O)C=Cc1ccc(cc1Br)F 1458a_200102591336_200000210301 [1,1,0,0,0,0|2,0,0]=4 846 B13R1.164 CC(=O)C=Cc1ccc(cc1Cl)Br 1458a_100102525105_200000210301 [1,1,0,0,0,0|2,0,0]=4 847 B13R1.164 CC(=O)C=Cc1ccc(cc1Cl)Cl 1458a_100016270030_200000210301 [1,1,0,0,0,0|2,0,0]=4 848 B13R1.164 CC(=O)C=Cc1ccc(cc1Cl)F 1458a_200102525072_200000210301 [1,1,0,0,0,0|2,0,0]=4 849 B13R1.164 CC(=O)C=Cc1ccc(cc1F)Br 1458a_100011214948_200000210301 [1,1,0,0,0,0|2,0,0]=4 850 B13R1.164 CC(=O)C=Cc1ccc(cc1F)Cl 1458a_100102561868_200000210301 [1,1,0,0,0,0|2,0,0]=4 851 B13R1.164 CC(=O)C=Cc1ccc(cc1F)F 1458a_100011195072_200000210301 [1,1,0,0,0,0|2,0,0]=4 852 B13R1.164 CC(O)C=Cc1ccc(cc1Br)O 271570a_200011019289_100000701344 [1,1,0,0,0,0|1,0,1]=4 853 B13R1.164 CC(O)C=Cc1ccc(cc1Cl)O 271570a_200011019289_100000047559 [1,1,0,0,0,0|1,0,1]=4 854 B13R1.164 CC(O)C=Cc1ccc(cc1F)O 271570a_200011019289_100000755031 [1,1,0,0,0,0|1,0,1]=4 855 B13R1.164 CC(O)C=Cc1ccc(cc1N)O 271570a_200011019289_100011999798 [1,1,0,0,0,0|1,0,1]=4 856 B13R1.164 CC(O)C=Cc1ccc(cc1O)O 271570a_200011019289_100009813921 [1,1,0,0,0,0|1,0,1]=4 857 B13R1.164 Cc1cc(ccc1C=CC(C)O)O 271570a_200011019289_100000729255 [1,1,0,0,0,0|1,0,1]=4 858 B13R1.164 [13CH3]C(=O)C=Cc1ccc(cc1Br)F 1458a_200102591336_200025704644 [1,1,0,0,0,0|2,0,0]=4 859 B13R1.164 [13CH3]C(=O)C=Cc1ccc(cc1Cl)Br 1458a_100102525105_200025704644 [1,1,0,0,0,0|2,0,0]=4 860 B13R1.164 [13CH3]C(=O)C=Cc1ccc(cc1Cl)Cl 1458a_100016270030_200025704644 [1,1,0,0,0,0|2,0,0]=4 861 B13R1.164 [13CH3]C(=O)C=Cc1ccc(cc1Cl)F 1458a_200102525072_200025704644 [1,1,0,0,0,0|2,0,0]=4 862 B13R1.164 [13CH3]C(=O)C=Cc1ccc(cc1F)Br 1458a_100011214948_200025704644 [1,1,0,0,0,0|2,0,0]=4 863 B13R1.164 [13CH3]C(=O)C=Cc1ccc(cc1F)Cl 1458a_100102561868_200025704644 [1,1,0,0,0,0|2,0,0]=4 864 B13R1.164 [13CH3]C(=O)C=Cc1ccc(cc1F)F 1458a_100011195072_200025704644 [1,1,0,0,0,0|2,0,0]=4 865 B13R1.512 CC(C)(O)C=Cc1ccc(cc1)O 271570a_200016258132_100000185759 [1,1,0,0,0,0|1,0,1]=4 866 B13R1.15 CCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000210202 [1,1,0,0,0,0|2,0,0]=4 867 B13R1.15 CCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100000211110 [1,1,0,0,0,0|2,0,0]=4 868 B13R1.15 CCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000210202 [1,1,0,0,0,0|2,0,0]=4 869 B13R1.15 CCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000210202 [1,1,0,0,0,0|2,0,0]=4 870 B13R1.15 CCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000210202 [1,1,0,0,0,0|2,0,0]=4 871 B13R1.15 CCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100000211110 [1,1,0,0,0,0|2,0,0]=4 872 B13R1.15 CCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000210202 [1,1,0,0,0,0|2,0,0]=4 873 B13R1.15 CCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100000211110 [1,1,0,0,0,0|2,0,0]=4 874 B13R1.15 CNC(=O)C=Cc1cccc(c1)Br 11a_106832991635_100016258244 [1,1,0,0,0,0|2,0,0]=4 875 B13R1.15 CNC(=O)C=Cc1cccc(c1)Br 1626a_100102657272_100016258244 [1,1,0,0,0,0|2,0,0]=4 876 B13R1.15 CNC(=O)C=Cc1cccc(c1)Br 240690a_100102657272_100016258244 [1,1,0,0,0,0|2,0,0]=4 877 B13R1.15 CNC(=O)C=Cc1cccc(c1)C 11a_106832991635_100000690095 [1,1,0,0,0,0|2,0,0]=4 878 B13R1.15 CNC(=O)C=Cc1cccc(c1)C 1626a_100102657272_100000690095 [1,1,0,0,0,0|2,0,0]=4 879 B13R1.15 CNC(=O)C=Cc1cccc(c1)C 240690a_100102657272_100000690095 [1,1,0,0,0,0|2,0,0]=4 880 B13R1.15 CNC(=O)C=Cc1cccc(c1)Cl 11a_106832991635_100000184502 [1,1,0,0,0,0|2,0,0]=4 881 B13R1.15 CNC(=O)C=Cc1cccc(c1)Cl 1626a_100102657272_100000184502 [1,1,0,0,0,0|2,0,0]=4 882 B13R1.15 CNC(=O)C=Cc1cccc(c1)Cl 240690a_100102657272_100000184502 [1,1,0,0,0,0|2,0,0]=4 883 B13R1.15 CNC(=O)C=Cc1cccc(c1)F 11a_106832991635_100000718793 [1,1,0,0,0,0|2,0,0]=4 884 B13R1.15 CNC(=O)C=Cc1cccc(c1)F 1626a_100102657272_100000718793 [1,1,0,0,0,0|2,0,0]=4 885 B13R1.15 CNC(=O)C=Cc1cccc(c1)F 240690a_100102657272_100000718793 [1,1,0,0,0,0|2,0,0]=4 886 B13R1.15 CNC(=O)C=Cc1cccc(c1)I 11a_106832991635_100020647043 [1,1,0,0,0,0|2,0,0]=4 887 B13R1.15 CNC(=O)C=Cc1cccc(c1)I 1626a_100102657272_100020647043 [1,1,0,0,0,0|2,0,0]=4 888 B13R1.15 CNC(=O)C=Cc1cccc(c1)I 240690a_100102657272_100020647043 [1,1,0,0,0,0|2,0,0]=4 889 B13R1.15 COC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_100000149372 [1,1,0,0,0,0|0,0,0]=2 890 B13R1.15 COC(=O)CCc1cccc(c1)O 271570a_203496583355_100000151591 [1,1,0,0,0,0|0,0,2]=4 891 B13R1.15 COC(=O)CNc1cccc(c1)O 34a_100000210217_100000747449 [1,1,0,0,0,0|1,0,1]=4 892 B13R1.15 COC(=O)COc1cccc(c1)O 271570a_203496583355_200000148702 [1,1,0,0,0,0|1,0,1]=4 893 B13R1.15 COC(=O)CSc1cccc(c1)O 271570a_203496583355_100011756034 [1,1,0,0,0,0|1,0,1]=4 894 B13R1.15 COC(=O)CSc1cccc(c1)O 62a_100000747449_100000211634 [1,1,0,0,0,0|1,0,1]=4 895 B13R1.15 Cc1cccc(c1)C=CC(=O)CF 1458a_100000690095_100015361967 [1,1,0,0,0,0|2,0,0]=4 896 B13R1.15 O=C(C=Cc1cccc(c1)Br)CBr 6a_100000210085_100009888967 [1,1,0,0,0,0|2,0,0]=4 897 B13R1.15 O=C(C=Cc1cccc(c1)Br)CCl 6a_100000210085_100000086384 [1,1,0,0,0,0|2,0,0]=4 898 B13R1.15 O=C(C=Cc1cccc(c1)Br)CF 1458a_100016258244_100015361967 [1,1,0,0,0,0|2,0,0]=4 899 B13R1.15 O=C(C=Cc1cccc(c1)Br)CF 6a_100000210085_100000764096 [1,1,0,0,0,0|2,0,0]=4 900 B13R1.15 O=C(C=Cc1cccc(c1)Cl)CF 1458a_100000184502_100015361967 [1,1,0,0,0,0|2,0,0]=4 901 B13R1.15 O=C(C=Cc1cccc(c1)F)CBr 6a_100000210812_100009888967 [1,1,0,0,0,0|2,0,0]=4 902 B13R1.15 O=C(C=Cc1cccc(c1)F)CCl 6a_100000210812_100000086384 [1,1,0,0,0,0|2,0,0]=4 903 B13R1.15 O=C(C=Cc1cccc(c1)F)CF 1458a_100000718793_100015361967 [1,1,0,0,0,0|2,0,0]=4 904 B13R1.15 O=C(C=Cc1cccc(c1)F)CF 6a_100000210812_100000764096 [1,1,0,0,0,0|2,0,0]=4 905 B13R1.15 O=C(C=Cc1cccc(c1)I)CBr 6a_100000014684_100009888967 [1,1,0,0,0,0|2,0,0]=4 906 B13R1.15 O=C(C=Cc1cccc(c1)I)CCl 6a_100000014684_100000086384 [1,1,0,0,0,0|2,0,0]=4 907 B13R1.15 O=C(C=Cc1cccc(c1)I)CF 1458a_100020647043_100015361967 [1,1,0,0,0,0|2,0,0]=4 908 B13R1.15 O=C(C=Cc1cccc(c1)I)CF 6a_100000014684_100000764096 [1,1,0,0,0,0|2,0,0]=4 909 B13R1.15 O=C(CO)NCc1cccc(c1)O 240690a_100000743036_100000210174 [1,1,0,0,0,0|1,0,1]=4 910 B13R1.15 O=C(CO)NCc1cccc(c1)O 527a_100000743036_100000210174 [1,1,0,0,0,0|1,0,1]=4 911 B13R1.147 CC(=O)CC(=O)c1cccc(c1)O 1458a_100000070787_100009813753 [1,1,0,0,0,0|1,0,1]=4 912 B13R1.147 NC(=O)CC(=O)c1cccc(c1)O 1458a_100000183914_100000187820 [1,1,0,0,0,0|1,0,1]=4 913 B13R1.147 O=C([O-])CC(=O)c1cccc(c1)O 1458a_100000183914_100020667443 [1,1,0,0,0,0|0,0,2]=4 914 B13R1.148 NC(=O)C(=O)Nc1cccc(c1)O 22a_100000210217_100011215815 [1,1,0,0,0,0|2,0,0]=4 915 B13R1.150 CC(=O)C=Cc1cccc(c1C)F 1458a_100102526135_200000210301 [1,1,0,0,0,0|2,0,0]=4 916 B13R1.150 CC(=O)C=Cc1cccc(c1Cl)Cl 1458a_100000184505_200000210301 [1,1,0,0,0,0|2,0,0]=4 917 B13R1.150 CC(=O)C=Cc1cccc(c1F)Br 1458a_100012351547_200000210301 [1,1,0,0,0,0|2,0,0]=4 918 B13R1.150 CC(=O)C=Cc1cccc(c1F)Cl 1458a_100011217667_200000210301 [1,1,0,0,0,0|2,0,0]=4 919 B13R1.150 CC(=O)C=Cc1cccc(c1F)F 1458a_100102526107_200000210301 [1,1,0,0,0,0|2,0,0]=4 920 B13R1.150 CC(O)C=Cc1cccc(c1Br)O 271570a_200011019289_100010187914 [1,1,0,0,0,0|1,0,1]=4 921 B13R1.150 CC(O)C=Cc1cccc(c1Cl)O 271570a_200011019289_100000049636 [1,1,0,0,0,0|1,0,1]=4 922 B13R1.150 CC(O)C=Cc1cccc(c1F)O 271570a_200011019289_100009817021 [1,1,0,0,0,0|1,0,1]=4 923 B13R1.150 CC(O)C=Cc1cccc(c1N)O 271570a_200011019289_100011934926 [1,1,0,0,0,0|1,0,1]=4 924 B13R1.150 CC(O)C=Cc1cccc(c1O)O 271570a_200011019289_100009815950 [1,1,0,0,0,0|1,0,1]=4 925 B13R1.150 Cc1c(cccc1C=CC(=O)[13CH3])F 1458a_100102526135_200025704644 [1,1,0,0,0,0|2,0,0]=4 926 B13R1.150 Cc1c(cccc1C=CC(C)O)O 271570a_200011019289_100012002258 [1,1,0,0,0,0|1,0,1]=4 927 B13R1.150 [13CH3]C(=O)C=Cc1cccc(c1Cl)Cl 1458a_100000184505_200025704644 [1,1,0,0,0,0|2,0,0]=4 928 B13R1.150 [13CH3]C(=O)C=Cc1cccc(c1F)Br 1458a_100012351547_200025704644 [1,1,0,0,0,0|2,0,0]=4 929 B13R1.150 [13CH3]C(=O)C=Cc1cccc(c1F)Cl 1458a_100011217667_200025704644 [1,1,0,0,0,0|2,0,0]=4 930 B13R1.150 [13CH3]C(=O)C=Cc1cccc(c1F)F 1458a_100102526107_200025704644 [1,1,0,0,0,0|2,0,0]=4 931 B13R1.643 C=Cc1cccc(c1)/C=C/C(=O)C 271570a_100011290941_200016266566 [1,1,0,0,0,0|2,0,0]=4 932 B13R1.643 CC(=O)/C=C/c1cccc(c1)S[13CH3] 62a_200016266566_200025704644 [1,1,0,0,0,0|1,1,0]=4 933 B13R1.643 CC(=O)/C=C/c1cccc(c1)S[13CH3] 62a_200025704644_200016266566 [1,1,0,0,0,0|1,1,0]=4 934 B13R1.643 CC(=O)C=Cc1cccc(c1)C#N 1458a_100000738773_200000210301 [1,1,0,0,0,0|2,0,0]=4 935 B13R1.643 CC(O)C=Cc1cccc(c1)CO 271570a_200011019289_100000687537 [1,1,0,0,0,0|1,0,1]=4 936 B13R1.643 COc1cccc(c1)C=CC(C)O 271570a_200011019289_100000170001 [1,1,0,0,0,0|1,0,1]=4 937 B13R1.643 CSc1cccc(c1)/C=C/C(=O)C 62a_200000210301_200016266566 [1,1,0,0,0,0|1,1,0]=4 938 B13R1.643 CSc1cccc(c1)/C=C/C(=O)C 62a_200016266566_200000210301 [1,1,0,0,0,0|1,1,0]=4 939 B13R1.643 [13CH3]C(=O)C=Cc1cccc(c1)C#N 1458a_100000738773_200025704644 [1,1,0,0,0,0|2,0,0]=4 940 B13R1.838 CC(C)(O)C=Cc1cccc(c1)O 271570a_200016258132_100000211634 [1,1,0,0,0,0|1,0,1]=4 941 B13R1.893 CC(=O)C=Cc1cc(ccc1Br)F 1458a_100102525183_200000210301 [1,1,0,0,0,0|2,0,0]=4 942 B13R1.893 CC(=O)C=Cc1cc(ccc1Cl)Cl 1458a_100000234794_200000210301 [1,1,0,0,0,0|2,0,0]=4 943 B13R1.893 CC(=O)C=Cc1cc(ccc1F)Br 1458a_100000718207_200000210301 [1,1,0,0,0,0|2,0,0]=4 944 B13R1.893 CC(=O)C=Cc1cc(ccc1F)C 1458a_100102526132_200000210301 [1,1,0,0,0,0|2,0,0]=4 945 B13R1.893 CC(=O)C=Cc1cc(ccc1F)F 1458a_100000744626_200000210301 [1,1,0,0,0,0|2,0,0]=4 946 B13R1.893 CC(O)C=Cc1cc(ccc1Br)O 271570a_200011019289_100012339312 [1,1,0,0,0,0|1,0,1]=4 947 B13R1.893 CC(O)C=Cc1cc(ccc1Cl)O 271570a_200011019289_100000049588 [1,1,0,0,0,0|1,0,1]=4 948 B13R1.893 CC(O)C=Cc1cc(ccc1F)O 271570a_200011019289_100000693481 [1,1,0,0,0,0|1,0,1]=4 949 B13R1.893 CC(O)C=Cc1cc(ccc1N)O 271570a_200011019289_100012001276 [1,1,0,0,0,0|1,0,1]=4 950 B13R1.893 CC(O)C=Cc1cc(ccc1O)O 271570a_200011019289_100009813629 [1,1,0,0,0,0|1,0,1]=4 951 B13R1.893 Cc1ccc(c(c1)C=CC(=O)[13CH3])F 1458a_100102526132_200025704644 [1,1,0,0,0,0|2,0,0]=4 952 B13R1.893 Cc1ccc(cc1C=CC(C)O)O 271570a_200011019289_100011380479 [1,1,0,0,0,0|1,0,1]=4 953 B13R1.893 [13CH3]C(=O)C=Cc1cc(ccc1Br)F 1458a_100102525183_200025704644 [1,1,0,0,0,0|2,0,0]=4 954 B13R1.893 [13CH3]C(=O)C=Cc1cc(ccc1Cl)Cl 1458a_100000234794_200025704644 [1,1,0,0,0,0|2,0,0]=4 955 B13R1.893 [13CH3]C(=O)C=Cc1cc(ccc1F)Br 1458a_100000718207_200025704644 [1,1,0,0,0,0|2,0,0]=4 956 B13R1.893 [13CH3]C(=O)C=Cc1cc(ccc1F)F 1458a_100000744626_200025704644 [1,1,0,0,0,0|2,0,0]=4 957 B13R1.3420 CC(=O)C=Cc1cc(cc(c1)C)C 1458a_100016257640_200000210301 [1,1,0,0,0,0|2,0,0]=4 958 B13R1.3420 CC(=O)C=Cc1cc(cc(c1)Cl)Cl 1458a_100000234795_200000210301 [1,1,0,0,0,0|2,0,0]=4 959 B13R1.3420 CC(=O)C=Cc1cc(cc(c1)Cl)F 1458a_100012349021_200000210301 [1,1,0,0,0,0|2,0,0]=4 960 B13R1.3420 CC(=O)C=Cc1cc(cc(c1)F)C 1458a_100102526130_200000210301 [1,1,0,0,0,0|2,0,0]=4 961 B13R1.3420 CC(=O)C=Cc1cc(cc(c1)F)F 1458a_100015207409_200000210301 [1,1,0,0,0,0|2,0,0]=4 962 B13R1.3420 CC(O)C=Cc1cc(cc(c1)Br)O 271570a_200011019289_100010068917 [1,1,0,0,0,0|1,0,1]=4 963 B13R1.3420 CC(O)C=Cc1cc(cc(c1)Cl)O 271570a_200011019289_100010068924 [1,1,0,0,0,0|1,0,1]=4 964 B13R1.3420 CC(O)C=Cc1cc(cc(c1)F)O 271570a_200011019289_100000717995 [1,1,0,0,0,0|1,0,1]=4 965 B13R1.3420 CC(O)C=Cc1cc(cc(c1)O)O 271570a_200011019289_100009868816 [1,1,0,0,0,0|1,0,1]=4 966 B13R1.3420 Cc1cc(cc(c1)C=CC(=O)[13CH3])C 1458a_100016257640_200025704644 [1,1,0,0,0,0|2,0,0]=4 967 B13R1.3420 Cc1cc(cc(c1)C=CC(=O)[13CH3])F 1458a_100102526130_200025704644 [1,1,0,0,0,0|2,0,0]=4 968 B13R1.3420 Cc1cc(cc(c1)C=CC(C)O)O 271570a_200011019289_100011999630 [1,1,0,0,0,0|1,0,1]=4 969 B13R1.3420 [13CH3]C(=O)C=Cc1cc(cc(c1)Cl)Cl 1458a_100000234795_200025704644 [1,1,0,0,0,0|2,0,0]=4 970 B13R1.3420 [13CH3]C(=O)C=Cc1cc(cc(c1)Cl)F 1458a_100012349021_200025704644 [1,1,0,0,0,0|2,0,0]=4 971 B13R1.3420 [13CH3]C(=O)C=Cc1cc(cc(c1)F)F 1458a_100015207409_200025704644 [1,1,0,0,0,0|2,0,0]=4 972 B13R1.136 O=CCSc1cc(c(c(c1)F)O)O 62a_200015260668_100010114375 [1,1,0,0,0,0|1,0,1]=4 973 B13R1.136 O=CCSc1cc(c(c(c1)O)O)O 62a_200015260668_100010658518 [1,1,0,0,0,0|1,0,1]=4 974 B13R1.466 C=CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210623 [1,1,0,0,0,0|1,0,1]=4 975 B13R1.466 O=C(CCO)c1ccc(c(c1)O)O 1458a_100000212155_100000211926 [1,1,0,0,0,0|0,0,2]=4 976 B13R1.575 COc1cc(ccc1O)NCC=O 34a_100000726020_200009817547 [1,1,0,0,0,0|1,0,1]=4 977 B13R1.575 COc1cc(ccc1O)SCC=O 62a_200015260668_100000694246 [1,1,0,0,0,0|1,0,1]=4 978 B13R1.575 O=CCSc1ccc(c(c1)CO)O 62a_100000184703_200015260668 [1,1,0,0,0,0|1,0,1]=4 979 B13R1.575 O=CCSc1ccc(c(c1)CO)O 62a_200015260668_100000184703 [1,1,0,0,0,0|1,0,1]=4 980 B13R1.577 COc1ccc(cc1O)NCC=O 34a_100000211920_200009817547 [1,1,0,0,0,0|1,0,1]=4 981 B13R1.577 COc1ccc(cc1O)SCC=O 62a_200015260668_100009816560 [1,1,0,0,0,0|1,0,1]=4 982 B13R1.577 O=CCSc1ccc(c(c1)O)CO 62a_100000071718_200015260668 [1,1,0,0,0,0|1,0,1]=4 983 B13R1.577 O=CCSc1ccc(c(c1)O)CO 62a_200015260668_100000071718 [1,1,0,0,0,0|1,0,1]=4 984 B13R1.669 C/C=C/CNc1ccc(c(c1)O)O 34a_100102946323_100102629194 [1,1,0,0,0,0|1,0,1]=4 985 B13R1.669 C/C=C/CSc1ccc(c(c1)O)O 62a_100102629194_100009813601 [1,1,0,0,0,0|1,0,1]=4 986 B13R1.669 CC=CCNc1ccc(c(c1)O)O 34a_100102946323_100000070051 [1,1,0,0,0,0|1,0,1]=4 987 B13R1.669 CC=CCSc1ccc(c(c1)O)O 62a_100000070051_100009813601 [1,1,0,0,0,0|1,0,1]=4 988 B13R1.669 CCCC=Cc1ccc(c(c1)O)O 271570a_100016258520_100009813601 [1,1,0,0,0,0|1,0,1]=4 989 B13R1.669 CCOC=Cc1ccc(c(c1)O)O 271570a_100016256518_100009813601 [1,1,0,0,0,0|1,0,1]=4 990 B13R1.669 COCC=Cc1ccc(c(c1)Br)O 271570a_100016286323_100012361655 [1,1,0,0,0,0|1,0,1]=4 991 B13R1.669 COCC=Cc1ccc(c(c1)C)O 271570a_100016286323_100000186361 [1,1,0,0,0,0|1,0,1]=4 992 B13R1.669 COCC=Cc1ccc(c(c1)Cl)O 271570a_100016286323_100012360047 [1,1,0,0,0,0|1,0,1]=4 993 B13R1.669 COCC=Cc1ccc(c(c1)F)O 271570a_100016286323_100000185481 [1,1,0,0,0,0|1,0,1]=4 994 B13R1.669 COCC=Cc1ccc(c(c1)N)O 271570a_100016286323_100000752626 [1,1,0,0,0,0|1,0,1]=4 995 B13R1.669 COCC=Cc1ccc(c(c1)O)Br 271570a_100016286323_100012356990 [1,1,0,0,0,0|1,0,1]=4 996 B13R1.669 COCC=Cc1ccc(c(c1)O)C 271570a_100016286323_100000766334 [1,1,0,0,0,0|1,0,1]=4 997 B13R1.669 COCC=Cc1ccc(c(c1)O)Cl 271570a_100016286323_100011356854 [1,1,0,0,0,0|1,0,1]=4 998 B13R1.669 COCC=Cc1ccc(c(c1)O)F 271570a_100016286323_100000686035 [1,1,0,0,0,0|1,0,1]=4 999 B13R1.669 COCC=Cc1ccc(c(c1)O)N 271570a_100016286323_100000739049 [1,1,0,0,0,0|1,0,1]=4 1000 B13R1.669 COCC=Cc1ccc(c(c1)O)O 271570a_100016286323_100009813601 [1,1,0,0,0,0|0,0,1]=3 1001 B13R1.669 O=CCNCc1ccc(c(c1)O)O 34a_100000010075_200009817547 [1,1,0,0,0,0|0,0,2]=4 1002 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000185746 [1,1,0,0,0,0|2,0,0]=4 1003 B13R1.2879 O=C(CO)Nc1ccc(c(c1)O)O 22a_100102946323_100000210174 [1,1,0,0,0,0|1,0,1]=4 1004 B13R1.2879 O=C(CO)Nc1ccc(c(c1)O)O 527a_100102946323_100000210174 [1,1,0,0,0,0|1,0,1]=4 1005 B13R1.35 CC(=Cc1ccc(c(c1)O)CO)C 271570a_100102525489_100000071718 [0,1,0,0,1,0|2,0,0]=4 1006 B13R1.35 COc1ccc(cc1O)C=C(C)C 271570a_100102525489_100009816560 [0,1,0,0,1,0|2,0,0]=4 1007 B13R1.35 COc1ccc(cc1O)CC(=O)C 1458a_100000049095_200000210301 [0,1,0,0,1,0|1,0,1]=4 1008 B13R1.35 COc1ccc(cc1O)CC(=O)C 271570a_203496583355_100011493462 [0,1,0,0,1,0|1,0,1]=4 1009 B13R1.35 COc1ccc(cc1O)CC(=O)[13CH3] 1458a_100000049095_200025704644 [0,1,0,0,1,0|1,0,1]=4 1010 B13R1.35 COc1ccc(cc1O)NC(=O)C 22a_100000211920_100000070787 [0,1,0,0,1,0|2,0,0]=4 1011 B13R1.35 COc1ccc(cc1O)NC(=O)C 527a_100000211920_100103153847 [0,1,0,0,1,0|2,0,0]=4 1012 B13R1.52 CC(=Cc1ccc(c(c1)CO)O)C 271570a_100102525489_100000184703 [0,1,0,0,1,0|2,0,0]=4 1013 B13R1.52 COc1cc(ccc1O)C=C(C)C 271570a_100102525489_100000694246 [0,1,0,0,1,0|2,0,0]=4 1014 B13R1.52 COc1cc(ccc1O)CC(=O)C 1458a_100000032101_200000210301 [0,1,0,0,1,0|1,0,1]=4 1015 B13R1.52 COc1cc(ccc1O)CC(=O)[13CH3] 1458a_100000032101_200025704644 [0,1,0,0,1,0|1,0,1]=4 1016 B13R1.52 COc1cc(ccc1O)NC(=O)C 22a_100000726020_100000070787 [0,1,0,0,1,0|2,0,0]=4 1017 B13R1.52 COc1cc(ccc1O)NC(=O)C 527a_100000726020_100103153847 [0,1,0,0,1,0|2,0,0]=4 1018 B13R1.510 CC(=C(C)c1ccc(c(c1)O)O)C 271570a_200000049429_100009813601 [0,1,0,0,1,0|2,0,0]=4 1019 B13R1.510 CC(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_200000210301 [0,1,0,0,1,0|1,0,1]=4 1020 B13R1.510 [13CH3]C(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_200025704644 [0,1,0,0,1,0|1,0,1]=4 1021 B15R1.883 CC(=CC(=O)Nc1ccc(c(c1)O)O)C 22a_100102946323_100000211388 [0,1,0,0,0,1|2,0,0]=4 1022 B15R1.883 CC(=CC(=O)Nc1ccc(c(c1)O)O)Cl 22a_100102946323_200042562850 [0,1,0,0,0,1|2,0,0]=4 1023 B15R1.883 NC(=O)CC(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_100000187820 [0,1,0,0,0,1|1,0,1]=4 1024 B15R1.883 NC(=O)CC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100134613110 [0,1,0,0,0,1|1,0,1]=4 1025 B15R1.883 NC(=O)CC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100134613110 [0,1,0,0,0,1|1,0,1]=4 1026 B15R1.883 O=C([O-])CC(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_100020667443 [0,1,0,0,0,1|0,0,2]=4 1027 B15R1.884 CC(=O)C(=O)CNc1ccc(c(c1)O)O 34a_100102946323_100011261029 [0,1,0,0,0,1|1,0,1]=4 1028 B15R1.884 CC(=O)C(=O)CSc1ccc(c(c1)O)O 62a_100011261029_100009813601 [0,1,0,0,0,1|1,0,1]=4 1029 B15R1.884 NC(=O)C(=O)NCc1ccc(c(c1)O)O 240690a_100000010075_100011215815 [0,1,0,0,0,1|1,0,1]=4 1030 B15R1.889 CC(=CCC(=O)c1ccc(c(c1)O)O)C 1458a_100000212155_100000761012 [0,1,0,0,0,1|2,0,0]=4 1031 B15R1.889 CC(=O)NN=C(C)c1ccc(c(c1)O)O 4a_100000189765_100000025746 [0,1,0,0,0,1|2,0,0]=4 1032 B15R1.3778 COc1ccc(cc1O)C=NNC(=O)C 4a_100000189765_100000211151 [0,1,0,0,0,1|2,0,0]=4 1033 B15R1.4030 COc1cc(ccc1O)C=NNC(=O)C 4a_100000189765_100000188322 [0,1,0,0,0,1|2,0,0]=4 1034 B15R1.8398 CC(=O)NN=Cc1cc(c(cc1O)O)O 4a_100000189765_100000042415 [0,1,0,0,0,1|2,0,0]=4 1035 B15R1.8409 CC(=O)NN=Cc1ccc(c(c1Br)O)O 4a_100000189765_200010659824 [0,1,0,0,0,1|2,0,0]=4 1036 B15R1.8409 CC(=O)NN=Cc1ccc(c(c1O)O)O 4a_100000189765_100000212131 [0,1,0,0,0,1|2,0,0]=4 1037 B15R1.11630 CCC(=O)NN=Cc1ccc(c(c1)O)O 4a_100000183195_100000184535 [0,1,0,0,0,1|2,0,0]=4 1038 B15R1.11630 COC(=O)CCNc1ccc(c(c1)O)O 34a_100102946323_100000742370 [0,1,0,0,0,1|0,0,2]=4 1039 B15R1.11630 COC(=O)CCSc1ccc(c(c1)O)O 62a_100000204255_100009813601 [0,1,0,0,0,1|0,0,2]=4 1040 B15R1.11630 COC(=O)CNCc1ccc(c(c1)O)O 34a_100000010075_100000747449 [0,1,0,0,0,1|0,0,2]=4 1041 B15R1.11630 O=C(CO)NCCc1ccc(c(c1)O)O 240690a_100000210387_100000210174 [0,1,0,0,0,1|0,0,2]=4 1042 B15R1.11630 O=C(CO)NCCc1ccc(c(c1)O)O 527a_100000210387_100000210174 [0,1,0,0,0,1|0,0,2]=4 1043 B15R1.28956 CC(=O)NN=Cc1cc(c(c(c1)Br)O)O 4a_100000189765_100000687232 [0,1,0,0,0,1|2,0,0]=4 1044 B15R1.28956 CC(=O)NN=Cc1cc(c(c(c1)O)O)O 4a_100000189765_100000042491 [0,1,0,0,0,1|2,0,0]=4 1045 B15R1.392 COc1cc(cc(c1O)Br)C=CC(=O)C 1458a_100015195021_200000210301 [0,2,0,0,0,0|1,0,0]=3 1046 B15R1.392 COc1cc(cc(c1O)Br)C=CC(=O)[13CH3] 1458a_100015195021_200025704644 [0,2,0,0,0,0|1,0,0]=3 1047 B15R1.392 COc1cc(cc(c1O)I)C=CC(=O)C 1458a_200021160827_200000210301 [0,2,0,0,0,0|1,0,0]=3 1048 B15R1.392 COc1cc(cc(c1O)I)C=CC(=O)[13CH3] 1458a_200021160827_200025704644 [0,2,0,0,0,0|1,0,0]=3 1049 B15R1.873 CC(O)C=Cc1ccc(c(c1)B(O)O)O 271570a_200011019289_200009814749 [0,2,0,0,0,0|1,0,1]=4 1050 B15R1.1803 COc1cc(c(cc1O)F)C=CC(C)O 271570a_200011019289_100010189133 [0,2,0,0,0,0|1,0,1]=4 1051 B15R1.4027 CC(C)(O)C=Cc1ccc(c(c1)CO)O 271570a_200016258132_100000184703 [0,2,0,0,0,0|1,0,1]=4 1052 B15R1.4027 COc1cc(ccc1O)C=CC(C)(C)O 271570a_200016258132_100000694246 [0,2,0,0,0,0|1,0,1]=4 1053 B15R1.4037 CC(=O)CC(=O)c1ccc(c(c1)CO)O 1458a_100000070787_100010262812 [0,2,0,0,0,0|1,0,1]=4 1054 B15R1.4037 COc1cc(ccc1O)C(=O)CC(=O)C 1458a_100000070787_100010206313 [0,2,0,0,0,0|1,0,1]=4 1055 B15R1.4037 COc1cc(ccc1O)C(=O)CC(=O)N 1458a_100000687070_100000187820 [0,2,0,0,0,0|1,0,1]=4 1056 B15R1.4037 COc1cc(ccc1O)C(=O)CC(=O)[O-] 1458a_100000687070_100020667443 [0,2,0,0,0,0|0,0,2]=4 1057 B15R1.4038 COc1cc(ccc1O)NC(=O)C(=O)N 22a_100000726020_100011215815 [0,2,0,0,0,0|2,0,0]=4 1058 B15R1.4039 CCC(=O)C=Cc1ccc(c(c1)OC)Br 1458a_100016267305_100000210202 [0,2,0,0,0,0|2,0,0]=4 1059 B15R1.4039 CCC(=O)C=Cc1ccc(c(c1)OC)C 6a_100000719150_100000211110 [0,2,0,0,0,0|2,0,0]=4 1060 B15R1.4039 CCC(=O)C=Cc1ccc(c(c1)OC)Cl 6a_100011998524_100000211110 [0,2,0,0,0,0|2,0,0]=4 1061 B15R1.4039 CCC(=O)C=Cc1ccc(c(c1)OC)F 6a_100000692873_100000211110 [0,2,0,0,0,0|2,0,0]=4 1062 B15R1.4039 CCC(=O)C=Cc1ccc(c(c1)OC)O 1458a_100000182119_100000210202 [0,2,0,0,0,0|1,0,0]=3 1063 B15R1.4039 CNC(=O)C=Cc1ccc(c(c1)OC)Br 11a_106832991635_100016267305 [0,2,0,0,0,0|2,0,0]=4 1064 B15R1.4039 CNC(=O)C=Cc1ccc(c(c1)OC)Br 1626a_100102657272_100016267305 [0,2,0,0,0,0|2,0,0]=4 1065 B15R1.4039 CNC(=O)C=Cc1ccc(c(c1)OC)Br 240690a_100102657272_100016267305 [0,2,0,0,0,0|2,0,0]=4 1066 B15R1.4039 COC(=O)CNc1ccc(c(c1)OC)O 34a_100000726020_100000747449 [0,2,0,0,0,0|1,0,1]=4 1067 B15R1.4039 COC(=O)CSc1ccc(c(c1)CO)O 62a_100000184703_100000747449 [0,2,0,0,0,0|1,0,1]=4 1068 B15R1.4039 COC(=O)CSc1ccc(c(c1)CO)O 62a_100000747449_100000184703 [0,2,0,0,0,0|1,0,1]=4 1069 B15R1.4039 COC(=O)CSc1ccc(c(c1)OC)O 62a_100000747449_100000694246 [0,2,0,0,0,0|1,0,1]=4 1070 B15R1.4039 COc1cc(ccc1Br)C=CC(=O)CF 1458a_100016267305_100015361967 [0,2,0,0,0,0|2,0,0]=4 1071 B15R1.4039 COc1cc(ccc1C)C=CC(=O)CBr 6a_100000719150_100009888967 [0,2,0,0,0,0|2,0,0]=4 1072 B15R1.4039 COc1cc(ccc1C)C=CC(=O)CCl 6a_100000719150_100000086384 [0,2,0,0,0,0|2,0,0]=4 1073 B15R1.4039 COc1cc(ccc1C)C=CC(=O)CF 6a_100000719150_100000764096 [0,2,0,0,0,0|2,0,0]=4 1074 B15R1.4039 COc1cc(ccc1Cl)C=CC(=O)CBr 6a_100011998524_100009888967 [0,2,0,0,0,0|2,0,0]=4 1075 B15R1.4039 COc1cc(ccc1Cl)C=CC(=O)CCl 6a_100011998524_100000086384 [0,2,0,0,0,0|2,0,0]=4 1076 B15R1.4039 COc1cc(ccc1Cl)C=CC(=O)CF 6a_100011998524_100000764096 [0,2,0,0,0,0|2,0,0]=4 1077 B15R1.4039 COc1cc(ccc1F)C=CC(=O)CBr 6a_100000692873_100009888967 [0,2,0,0,0,0|2,0,0]=4 1078 B15R1.4039 COc1cc(ccc1F)C=CC(=O)CCl 6a_100000692873_100000086384 [0,2,0,0,0,0|2,0,0]=4 1079 B15R1.4039 COc1cc(ccc1F)C=CC(=O)CF 6a_100000692873_100000764096 [0,2,0,0,0,0|2,0,0]=4 1080 B15R1.4039 COc1cc(ccc1O)C=CC(=O)CF 1458a_100000182119_100015361967 [0,2,0,0,0,0|1,0,0]=3 1081 B15R1.4039 COc1cc(ccc1O)CCC(=O)CO 1458a_100000210174_100010741665 [0,2,0,0,0,0|0,0,2]=4 1082 B15R1.4039 COc1cc(ccc1O)CNC(=O)CO 240690a_100000185554_100000210174 [0,2,0,0,0,0|1,0,1]=4 1083 B15R1.4039 COc1cc(ccc1O)CNC(=O)CO 527a_100000185554_100000210174 [0,2,0,0,0,0|1,0,1]=4 1084 B15R1.5194 COc1c(ccc(c1F)C=CC(=O)C)Cl 1458a_100020621803_200000210301 [0,2,0,0,0,0|2,0,0]=4 1085 B15R1.5194 COc1c(ccc(c1F)C=CC(=O)[13CH3])Cl 1458a_100020621803_200025704644 [0,2,0,0,0,0|2,0,0]=4 1086 B15R1.12854 C=Cc1cc(ccc1OC)/C=C/C(=O)C 271570a_100011290941_200016254069 [0,2,0,0,0,0|2,0,0]=4 1087 B15R1.12854 CC(O)C=Cc1ccc(c(c1)CO)CO 271570a_200011019289_100000719600 [0,2,0,0,0,0|1,0,1]=4 1088 B15R1.12854 COc1cc(ccc1CO)C=CC(C)O 271570a_200011019289_100011277633 [0,2,0,0,0,0|1,0,1]=4 1089 B15R1.12854 COc1cc(ccc1O[13CH3])/C=C/C(=O)C 34a_100102526088_200025704644 [0,2,0,0,0,0|1,0,0]=3 1090 B15R1.12854 COc1cc(ccc1O[13CH3])C=C[N+](=O)[O-] 34a_200103042931_200025704644 [0,2,0,0,0,0|1,0,1]=4 1091 B15R1.12854 COc1ccc(cc1CO)C=CC(C)O 271570a_200011019289_100000204679 [0,2,0,0,0,0|1,0,1]=4 1092 B15R1.12854 COc1ccc(cc1OC)/C=C/C(=O)C 34a_100102526088_200000210301 [0,2,0,0,0,0|1,0,0]=3 1093 B15R1.12854 COc1ccc(cc1OC)/C=C/[N+](=O)[O-] 34a_100016278493_200000210301 [0,2,0,0,0,0|1,0,1]=4 1094 B15R1.12854 COc1ccc(cc1OC)C=CC(=O)C 1458a_100015194992_200000210301 [0,2,0,0,0,0|1,0,0]=3 1095 B15R1.12854 COc1ccc(cc1OC)C=CC(=O)[13CH3] 1458a_100015194992_200025704644 [0,2,0,0,0,0|1,0,0]=3 1096 B15R1.12854 COc1ccc(cc1OC)C=CC(C)O 271570a_200011019289_100000187503 [0,2,0,0,0,0|1,0,1]=4 1097 B15R1.12854 COc1ccc(cc1OC)C=C[N+](=O)[O-] 34a_200103042931_200000210301 [0,2,0,0,0,0|1,0,1]=4 1098 B15R1.12854 COc1ccc(cc1O[13CH3])/C=C/[N+](=O)[O-] 34a_100016278493_200025704644 [0,2,0,0,0,0|1,0,1]=4 1099 B15R1.12854 COc1ccc(cc1SC)/C=C/C(=O)C 62a_200000210301_200016254069 [0,2,0,0,0,0|1,1,0]=4 1100 B15R1.12854 COc1ccc(cc1SC)/C=C/C(=O)C 62a_200016254069_200000210301 [0,2,0,0,0,0|1,1,0]=4 1101 B15R1.12854 COc1ccc(cc1S[13CH3])/C=C/C(=O)C 62a_200016254069_200025704644 [0,2,0,0,0,0|1,1,0]=4 1102 B15R1.12854 COc1ccc(cc1S[13CH3])/C=C/C(=O)C 62a_200025704644_200016254069 [0,2,0,0,0,0|1,1,0]=4 1103 B15R1.3775 CC(C)(O)C=Cc1ccc(c(c1)O)CO 271570a_200016258132_100000071718 [0,2,0,0,0,0|1,0,1]=4 1104 B15R1.3775 COc1ccc(cc1O)C=CC(C)(C)O 271570a_200016258132_100009816560 [0,2,0,0,0,0|1,0,1]=4 1105 B15R1.758 C#CC(=O)CC(=O)c1ccc(c(c1)O)O 1458a_100000211873_100000183813 [0,2,0,0,0,0|1,0,1]=4 1106 B15R1.758 C=CC(=O)CC(=O)c1ccc(c(c1)O)O 1458a_100000185746_100000183813 [0,2,0,0,0,0|1,0,1]=4 1107 B15R1.758 CCC(=O)CC(=O)c1ccc(c(c1)O)O 1458a_100000210414_100000183813 [0,2,0,0,0,0|1,0,1]=4 1108 B15R1.758 CCC(=O)CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000747405 [0,2,0,0,0,0|1,0,1]=4 1109 B15R1.758 CNC(=O)CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000183359 [0,2,0,0,0,0|1,0,1]=4 1110 B15R1.758 COC(=O)CC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000747449 [0,2,0,0,0,0|1,0,1]=4 1111 B15R1.758 COC(=O)CC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000747449 [0,2,0,0,0,0|1,0,1]=4 1112 B15R1.758 COC(=O)CC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000747449 [0,2,0,0,0,0|1,0,1]=4 1113 B15R1.758 COC(=O)CC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000747449 [0,2,0,0,0,0|1,0,1]=4 1114 B15R1.758 COC(=O)CC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000747449 [0,2,0,0,0,0|1,0,1]=4 1115 B15R1.758 COC(=O)CC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000747449 [0,2,0,0,0,0|1,0,1]=4 1116 B15R1.758 COC(=O)CC(=O)c1ccc(c(c1)O)C 1458a_100000233767_100000747449 [0,2,0,0,0,0|1,0,1]=4 1117 B15R1.758 COC(=O)CC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000747449 [0,2,0,0,0,0|1,0,1]=4 1118 B15R1.758 COC(=O)CC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000747449 [0,2,0,0,0,0|1,0,1]=4 1119 B15R1.758 COC(=O)CC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000747449 [0,2,0,0,0,0|1,0,1]=4 1120 B15R1.758 COC(=O)CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000747449 [0,2,0,0,0,0|0,0,1]=3 1121 B15R1.758 O=C(CO)CC(=O)c1ccc(c(c1)Cl)O 1458a_100000210174_200010170092 [0,2,0,0,0,0|1,0,1]=4 1122 B15R1.758 O=C(CO)CC(=O)c1ccc(c(c1)O)O 1458a_100000210174_100000183813 [0,2,0,0,0,0|0,0,1]=3 1123 B15R1.890 CC(=O)C(C)C(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000179758 [0,2,0,0,0,0|1,0,1]=4 1124 B15R1.890 CC(C(=O)N)C(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000702099 [0,2,0,0,0,0|1,0,1]=4 1125 B15R1.890 NC(=O)C(F)C(=O)c1ccc(c(c1)O)O 1458a_100000212155_100009813875 [0,2,0,0,0,0|1,0,1]=4 1126 B15R1.890 O=C([O-])C(F)C(=O)c1ccc(c(c1)O)O 1458a_100000212155_100020610796 [0,2,0,0,0,0|0,0,2]=4 1127 B15R1.3776 COc1ccc(cc1O)C(=O)CC(=O)N 1458a_100000766810_100000187820 [0,2,0,0,0,0|1,0,1]=4 1128 B15R1.3776 COc1ccc(cc1O)C(=O)CC(=O)[O-] 1458a_100000766810_100020667443 [0,2,0,0,0,0|0,0,2]=4 1129 B15R1.8407 NC(=O)CC(=O)c1ccc(c(c1Cl)O)O 1458a_100009910189_100000187820 [0,2,0,0,0,0|1,0,1]=4 1130 B15R1.8407 NC(=O)CC(=O)c1ccc(c(c1O)O)O 1458a_100000037941_100000187820 [0,2,0,0,0,0|1,0,1]=4 1131 B15R1.8407 O=C([O-])CC(=O)c1ccc(c(c1Cl)O)O 1458a_100009910189_100020667443 [0,2,0,0,0,0|0,0,2]=4 1132 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 1133 B15R1.28954 NC(=O)CC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100000187820 [0,2,0,0,0,0|1,0,1]=4 1134 B15R1.28954 NC(=O)CC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100000187820 [0,2,0,0,0,0|1,0,1]=4 1135 B15R1.28954 NC(=O)CC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000187820 [0,2,0,0,0,0|1,0,1]=4 1136 B15R1.28954 O=C([O-])CC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100020667443 [0,2,0,0,0,0|0,0,2]=4 1137 B15R1.28954 O=C([O-])CC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100020667443 [0,2,0,0,0,0|0,0,2]=4 1138 B15R1.28954 O=C([O-])CC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100020667443 [0,2,0,0,0,0|0,0,2]=4 1139 B15R1.3777 COc1ccc(cc1O)NC(=O)C(=O)N 22a_100000211920_100011215815 [0,2,0,0,0,0|2,0,0]=4 1140 B15R1.5521 C=C(CO)C(=O)Nc1ccc(c(c1)O)O 22a_100102946323_200000705526 [0,2,0,0,0,0|2,0,0]=4 1141 B15R1.5521 CN(Cc1ccc(c(c1)O)O)C(=O)CO 240690a_100020587154_100000210174 [0,2,0,0,0,0|1,0,1]=4 1142 B15R1.5521 CNC(=O)C(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100011218921 [0,2,0,0,0,0|2,0,0]=4 1143 B15R1.5521 CNC(=O)C(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100011218921 [0,2,0,0,0,0|2,0,0]=4 1144 B15R1.5521 COC(=O)C(=O)Nc1ccc(c(c1)Br)O 527a_100011534360_100000024059 [0,2,0,0,0,0|2,0,0]=4 1145 B15R1.5521 COC(=O)C(=O)Nc1ccc(c(c1)C)O 11a_100011218179_100000024059 [0,2,0,0,0,0|2,0,0]=4 1146 B15R1.5521 COC(=O)C(=O)Nc1ccc(c(c1)C)O 527a_100011218179_100000024059 [0,2,0,0,0,0|2,0,0]=4 1147 B15R1.5521 COC(=O)C(=O)Nc1ccc(c(c1)F)O 527a_100011220035_100000024059 [0,2,0,0,0,0|2,0,0]=4 1148 B15R1.5521 COC(=O)C(=O)Nc1ccc(c(c1)O)C 11a_100000759471_100000024059 [0,2,0,0,0,0|2,0,0]=4 1149 B15R1.5521 COC(=O)C(=O)Nc1ccc(c(c1)O)C 527a_100000759471_100000024059 [0,2,0,0,0,0|2,0,0]=4 1150 B15R1.5521 COC(=O)C(=O)Nc1ccc(c(c1)O)F 527a_100012017398_100000024059 [0,2,0,0,0,0|2,0,0]=4 1151 B15R1.5521 COC(=O)C(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100000024059 [0,2,0,0,0,0|1,0,0]=3 1152 B15R1.5521 COC(=O)C(C)Nc1ccc(c(c1)O)O 34a_100102946323_100000211248 [0,2,0,0,0,0|1,0,1]=4 1153 B15R1.5521 COC(=O)C(C)Sc1ccc(c(c1)O)O 62a_100000211248_100009813601 [0,2,0,0,0,0|1,0,1]=4 1154 B15R1.2993 CCC(=O)C=Cc1cc(c(c(c1)Br)O)Cl 6a_100009820900_100000211110 [0,2,0,0,0,0|2,0,0]=4 1155 B15R1.2993 CCC(=O)C=Cc1cc(c(c(c1)Br)O)F 6a_100010295671_100000211110 [0,2,0,0,0,0|2,0,0]=4 1156 B15R1.2993 CCC(=O)C=Cc1cc(c(c(c1)C)O)C 6a_100000184764_100000211110 [0,2,0,0,0,0|2,0,0]=4 1157 B15R1.2993 CCC(=O)C=Cc1cc(c(c(c1)Cl)O)Cl 6a_100000186755_100000211110 [0,2,0,0,0,0|2,0,0]=4 1158 B15R1.2993 CCC(=O)C=Cc1cc(c(c(c1)Cl)O)F 6a_100011217655_100000211110 [0,2,0,0,0,0|2,0,0]=4 1159 B15R1.2993 CCC(=O)C=Cc1cc(c(c(c1)F)F)O 6a_100000050330_100000211110 [0,2,0,0,0,0|2,0,0]=4 1160 B15R1.2993 CCC(=O)C=Cc1cc(c(c(c1)F)O)F 6a_100000758959_100000211110 [0,2,0,0,0,0|2,0,0]=4 1161 B15R1.2993 CCC(=O)C=Cc1cc(c(c(c1)I)O)I 6a_100000038503_100000211110 [0,2,0,0,0,0|2,0,0]=4 1162 B15R1.2993 COC(=O)CSc1cc(c(c(c1)F)O)O 62a_100000747449_100010114375 [0,2,0,0,0,0|1,0,1]=4 1163 B15R1.2993 COC(=O)CSc1cc(c(c(c1)O)O)O 62a_100000747449_100010658518 [0,2,0,0,0,0|1,0,1]=4 1164 B15R1.2993 Cc1cc(cc(c1O)C)C=CC(=O)CBr 6a_100000184764_100009888967 [0,2,0,0,0,0|2,0,0]=4 1165 B15R1.2993 Cc1cc(cc(c1O)C)C=CC(=O)CCl 6a_100000184764_100000086384 [0,2,0,0,0,0|2,0,0]=4 1166 B15R1.2993 Cc1cc(cc(c1O)C)C=CC(=O)CF 6a_100000184764_100000764096 [0,2,0,0,0,0|2,0,0]=4 1167 B15R1.2993 O=C(C=Cc1cc(c(c(c1)Br)O)Cl)CBr 6a_100009820900_100009888967 [0,2,0,0,0,0|2,0,0]=4 1168 B15R1.2993 O=C(C=Cc1cc(c(c(c1)Br)O)Cl)CCl 6a_100009820900_100000086384 [0,2,0,0,0,0|2,0,0]=4 1169 B15R1.2993 O=C(C=Cc1cc(c(c(c1)Br)O)Cl)CF 6a_100009820900_100000764096 [0,2,0,0,0,0|2,0,0]=4 1170 B15R1.2993 O=C(C=Cc1cc(c(c(c1)Br)O)F)CBr 6a_100010295671_100009888967 [0,2,0,0,0,0|2,0,0]=4 1171 B15R1.2993 O=C(C=Cc1cc(c(c(c1)Br)O)F)CCl 6a_100010295671_100000086384 [0,2,0,0,0,0|2,0,0]=4 1172 B15R1.2993 O=C(C=Cc1cc(c(c(c1)Br)O)F)CF 6a_100010295671_100000764096 [0,2,0,0,0,0|2,0,0]=4 1173 B15R1.2993 O=C(C=Cc1cc(c(c(c1)Cl)O)Cl)CBr 6a_100000186755_100009888967 [0,2,0,0,0,0|2,0,0]=4 1174 B15R1.2993 O=C(C=Cc1cc(c(c(c1)Cl)O)Cl)CCl 6a_100000186755_100000086384 [0,2,0,0,0,0|2,0,0]=4 1175 B15R1.2993 O=C(C=Cc1cc(c(c(c1)Cl)O)Cl)CF 6a_100000186755_100000764096 [0,2,0,0,0,0|2,0,0]=4 1176 B15R1.2993 O=C(C=Cc1cc(c(c(c1)Cl)O)F)CBr 6a_100011217655_100009888967 [0,2,0,0,0,0|2,0,0]=4 1177 B15R1.2993 O=C(C=Cc1cc(c(c(c1)Cl)O)F)CCl 6a_100011217655_100000086384 [0,2,0,0,0,0|2,0,0]=4 1178 B15R1.2993 O=C(C=Cc1cc(c(c(c1)Cl)O)F)CF 6a_100011217655_100000764096 [0,2,0,0,0,0|2,0,0]=4 1179 B15R1.2993 O=C(C=Cc1cc(c(c(c1)F)F)O)CBr 6a_100000050330_100009888967 [0,2,0,0,0,0|2,0,0]=4 1180 B15R1.2993 O=C(C=Cc1cc(c(c(c1)F)F)O)CCl 6a_100000050330_100000086384 [0,2,0,0,0,0|2,0,0]=4 1181 B15R1.2993 O=C(C=Cc1cc(c(c(c1)F)F)O)CF 6a_100000050330_100000764096 [0,2,0,0,0,0|2,0,0]=4 1182 B15R1.2993 O=C(C=Cc1cc(c(c(c1)F)O)F)CBr 6a_100000758959_100009888967 [0,2,0,0,0,0|2,0,0]=4 1183 B15R1.2993 O=C(C=Cc1cc(c(c(c1)F)O)F)CCl 6a_100000758959_100000086384 [0,2,0,0,0,0|2,0,0]=4 1184 B15R1.2993 O=C(C=Cc1cc(c(c(c1)F)O)F)CF 6a_100000758959_100000764096 [0,2,0,0,0,0|2,0,0]=4 1185 B15R1.2993 O=C(C=Cc1cc(c(c(c1)I)O)I)CBr 6a_100000038503_100009888967 [0,2,0,0,0,0|2,0,0]=4 1186 B15R1.2993 O=C(C=Cc1cc(c(c(c1)I)O)I)CCl 6a_100000038503_100000086384 [0,2,0,0,0,0|2,0,0]=4 1187 B15R1.2993 O=C(C=Cc1cc(c(c(c1)I)O)I)CF 6a_100000038503_100000764096 [0,2,0,0,0,0|2,0,0]=4 1188 B15R1.3779 CCC(=O)C=Cc1ccc(c(c1)Br)OC 1458a_200000186738_100000210202 [0,2,0,0,0,0|2,0,0]=4 1189 B15R1.3779 CCC(=O)C=Cc1ccc(c(c1)Br)OC 6a_100000173361_100000211110 [0,2,0,0,0,0|2,0,0]=4 1190 B15R1.3779 CCC(=O)C=Cc1ccc(c(c1)C)OC 1458a_100116352456_100000210202 [0,2,0,0,0,0|2,0,0]=4 1191 B15R1.3779 CCC(=O)C=Cc1ccc(c(c1)C)OC 6a_100000239718_100000211110 [0,2,0,0,0,0|2,0,0]=4 1192 B15R1.3779 CCC(=O)C=Cc1ccc(c(c1)Cl)OC 1458a_100000735007_100000210202 [0,2,0,0,0,0|2,0,0]=4 1193 B15R1.3779 CCC(=O)C=Cc1ccc(c(c1)Cl)OC 6a_100000186747_100000211110 [0,2,0,0,0,0|2,0,0]=4 1194 B15R1.3779 CCC(=O)C=Cc1ccc(c(c1)F)OC 1458a_100102526129_100000210202 [0,2,0,0,0,0|2,0,0]=4 1195 B15R1.3779 CCC(=O)C=Cc1ccc(c(c1)F)OC 6a_100000204617_100000211110 [0,2,0,0,0,0|2,0,0]=4 1196 B15R1.3779 CCC(=O)C=Cc1ccc(c(c1)I)OC 6a_100009827998_100000211110 [0,2,0,0,0,0|2,0,0]=4 1197 B15R1.3779 CCC(=O)C=Cc1ccc(c(c1)O)OC 1458a_100000184920_100000210202 [0,2,0,0,0,0|1,0,0]=3 1198 B15R1.3779 CNC(=O)C=Cc1ccc(c(c1)Br)OC 11a_106832991635_200000186738 [0,2,0,0,0,0|2,0,0]=4 1199 B15R1.3779 CNC(=O)C=Cc1ccc(c(c1)Br)OC 1626a_100102657272_200000186738 [0,2,0,0,0,0|2,0,0]=4 1200 B15R1.3779 CNC(=O)C=Cc1ccc(c(c1)Br)OC 240690a_100102657272_200000186738 [0,2,0,0,0,0|2,0,0]=4 1201 B15R1.3779 CNC(=O)C=Cc1ccc(c(c1)C)OC 11a_106832991635_100116352456 [0,2,0,0,0,0|2,0,0]=4 1202 B15R1.3779 CNC(=O)C=Cc1ccc(c(c1)C)OC 1626a_100102657272_100116352456 [0,2,0,0,0,0|2,0,0]=4 1203 B15R1.3779 CNC(=O)C=Cc1ccc(c(c1)C)OC 240690a_100102657272_100116352456 [0,2,0,0,0,0|2,0,0]=4 1204 B15R1.3779 CNC(=O)C=Cc1ccc(c(c1)Cl)OC 11a_106832991635_100000735007 [0,2,0,0,0,0|2,0,0]=4 1205 B15R1.3779 CNC(=O)C=Cc1ccc(c(c1)Cl)OC 1626a_100102657272_100000735007 [0,2,0,0,0,0|2,0,0]=4 1206 B15R1.3779 CNC(=O)C=Cc1ccc(c(c1)Cl)OC 240690a_100102657272_100000735007 [0,2,0,0,0,0|2,0,0]=4 1207 B15R1.3779 CNC(=O)C=Cc1ccc(c(c1)F)OC 11a_106832991635_100102526129 [0,2,0,0,0,0|2,0,0]=4 1208 B15R1.3779 CNC(=O)C=Cc1ccc(c(c1)F)OC 1626a_100102657272_100102526129 [0,2,0,0,0,0|2,0,0]=4 1209 B15R1.3779 CNC(=O)C=Cc1ccc(c(c1)F)OC 240690a_100102657272_100102526129 [0,2,0,0,0,0|2,0,0]=4 1210 B15R1.3779 COC(=O)/C=C/c1ccc(c(c1)Cl)OC 34a_100102526190_200000210301 [0,2,0,0,0,0|1,0,0]=3 1211 B15R1.3779 COC(=O)/C=C/c1ccc(c(c1)Cl)OC 7a_100102526190_200000210301 [0,2,0,0,0,0|1,0,0]=3 1212 B15R1.3779 COC(=O)/C=C/c1ccc(c(c1)Cl)O[13CH3] 34a_100102526190_200025704644 [0,2,0,0,0,0|1,0,0]=3 1213 B15R1.3779 COC(=O)/C=C/c1ccc(c(c1)Cl)O[13CH3] 7a_100102526190_200025704644 [0,2,0,0,0,0|1,0,0]=3 1214 B15R1.3779 COC(=O)CNc1ccc(c(c1)O)OC 34a_100000211920_100000747449 [0,2,0,0,0,0|1,0,1]=4 1215 B15R1.3779 COC(=O)CSc1ccc(c(c1)O)CO 62a_100000071718_100000747449 [0,2,0,0,0,0|1,0,1]=4 1216 B15R1.3779 COC(=O)CSc1ccc(c(c1)O)CO 62a_100000747449_100000071718 [0,2,0,0,0,0|1,0,1]=4 1217 B15R1.3779 COC(=O)CSc1ccc(c(c1)O)OC 62a_100000747449_100009816560 [0,2,0,0,0,0|1,0,1]=4 1218 B15R1.3779 COc1ccc(cc1Br)C=CC(=O)CBr 6a_100000173361_100009888967 [0,2,0,0,0,0|2,0,0]=4 1219 B15R1.3779 COc1ccc(cc1Br)C=CC(=O)CCl 6a_100000173361_100000086384 [0,2,0,0,0,0|2,0,0]=4 1220 B15R1.3779 COc1ccc(cc1Br)C=CC(=O)CF 1458a_200000186738_100015361967 [0,2,0,0,0,0|2,0,0]=4 1221 B15R1.3779 COc1ccc(cc1Br)C=CC(=O)CF 6a_100000173361_100000764096 [0,2,0,0,0,0|2,0,0]=4 1222 B15R1.3779 COc1ccc(cc1C)C=CC(=O)CBr 6a_100000239718_100009888967 [0,2,0,0,0,0|2,0,0]=4 1223 B15R1.3779 COc1ccc(cc1C)C=CC(=O)CCl 6a_100000239718_100000086384 [0,2,0,0,0,0|2,0,0]=4 1224 B15R1.3779 COc1ccc(cc1C)C=CC(=O)CF 1458a_100116352456_100015361967 [0,2,0,0,0,0|2,0,0]=4 1225 B15R1.3779 COc1ccc(cc1C)C=CC(=O)CF 6a_100000239718_100000764096 [0,2,0,0,0,0|2,0,0]=4 1226 B15R1.3779 COc1ccc(cc1Cl)C=CC(=O)CBr 6a_100000186747_100009888967 [0,2,0,0,0,0|2,0,0]=4 1227 B15R1.3779 COc1ccc(cc1Cl)C=CC(=O)CCl 6a_100000186747_100000086384 [0,2,0,0,0,0|2,0,0]=4 1228 B15R1.3779 COc1ccc(cc1Cl)C=CC(=O)CF 1458a_100000735007_100015361967 [0,2,0,0,0,0|2,0,0]=4 1229 B15R1.3779 COc1ccc(cc1Cl)C=CC(=O)CF 6a_100000186747_100000764096 [0,2,0,0,0,0|2,0,0]=4 1230 B15R1.3779 COc1ccc(cc1F)C=CC(=O)CBr 6a_100000204617_100009888967 [0,2,0,0,0,0|2,0,0]=4 1231 B15R1.3779 COc1ccc(cc1F)C=CC(=O)CCl 6a_100000204617_100000086384 [0,2,0,0,0,0|2,0,0]=4 1232 B15R1.3779 COc1ccc(cc1F)C=CC(=O)CF 1458a_100102526129_100015361967 [0,2,0,0,0,0|2,0,0]=4 1233 B15R1.3779 COc1ccc(cc1F)C=CC(=O)CF 6a_100000204617_100000764096 [0,2,0,0,0,0|2,0,0]=4 1234 B15R1.3779 COc1ccc(cc1I)C=CC(=O)CBr 6a_100009827998_100009888967 [0,2,0,0,0,0|2,0,0]=4 1235 B15R1.3779 COc1ccc(cc1I)C=CC(=O)CCl 6a_100009827998_100000086384 [0,2,0,0,0,0|2,0,0]=4 1236 B15R1.3779 COc1ccc(cc1I)C=CC(=O)CF 6a_100009827998_100000764096 [0,2,0,0,0,0|2,0,0]=4 1237 B15R1.3779 COc1ccc(cc1O)C=CC(=O)CF 1458a_100000184920_100015361967 [0,2,0,0,0,0|1,0,0]=3 1238 B15R1.3779 COc1ccc(cc1O)CNC(=O)CO 240690a_100000740000_100000210174 [0,2,0,0,0,0|1,0,1]=4 1239 B15R1.3779 COc1ccc(cc1O)CNC(=O)CO 527a_100000740000_100000210174 [0,2,0,0,0,0|1,0,1]=4 1240 B15R1.10390 C#CCC(=O)C=Cc1ccc(c(c1)Br)O 1458a_200103079279_100000184674 [0,2,0,0,0,0|2,0,0]=4 1241 B15R1.10390 C#CCC(=O)C=Cc1ccc(c(c1)Cl)O 1458a_200103117615_100000184674 [0,2,0,0,0,0|2,0,0]=4 1242 B15R1.10390 C=CCC(=O)C=Cc1ccc(c(c1)Br)O 1458a_200103079279_100000210623 [0,2,0,0,0,0|2,0,0]=4 1243 B15R1.10390 C=CCC(=O)C=Cc1ccc(c(c1)Cl)O 1458a_200103117615_100000210623 [0,2,0,0,0,0|2,0,0]=4 1244 B15R1.10390 C=COC(=O)CNc1ccc(c(c1)O)O 34a_100102946323_100000036128 [0,2,0,0,0,0|1,0,1]=4 1245 B15R1.10390 C=COC(=O)CSc1ccc(c(c1)O)O 62a_100000036128_100009813601 [0,2,0,0,0,0|1,0,1]=4 1246 B15R1.10390 CCCC(=O)C=Cc1ccc(c(c1)Br)O 1458a_200103079279_100000210303 [0,2,0,0,0,0|2,0,0]=4 1247 B15R1.10390 CCCC(=O)C=Cc1ccc(c(c1)Cl)O 1458a_200103117615_100000210303 [0,2,0,0,0,0|2,0,0]=4 1248 B15R1.10390 CCCC(=O)C=Cc1ccc(c(c1)Cl)O 6a_100000186751_100011215381 [0,2,0,0,0,0|2,0,0]=4 1249 B15R1.10390 CCCC(=O)C=Cc1ccc(c(c1)F)O 6a_100000742332_100011215381 [0,2,0,0,0,0|2,0,0]=4 1250 B15R1.10390 CCCC(=O)C=Cc1ccc(c(c1)I)O 6a_100000186752_100011215381 [0,2,0,0,0,0|2,0,0]=4 1251 B15R1.10390 CCCC(=O)C=Cc1ccc(c(c1)O)Cl 6a_100009876013_100011215381 [0,2,0,0,0,0|2,0,0]=4 1252 B15R1.10390 CCCC(=O)C=Cc1ccc(c(c1)O)F 6a_100000102368_100011215381 [0,2,0,0,0,0|2,0,0]=4 1253 B15R1.10390 CCCC(=O)C=Cc1ccc(c(c1)O)I 6a_100000041418_100011215381 [0,2,0,0,0,0|2,0,0]=4 1254 B15R1.10390 CCNC(=O)C=Cc1ccc(c(c1)Br)O 240690a_100015525214_200103079279 [0,2,0,0,0,0|2,0,0]=4 1255 B15R1.10390 CCNC(=O)C=Cc1ccc(c(c1)Cl)O 240690a_100015525214_200103117615 [0,2,0,0,0,0|2,0,0]=4 1256 B15R1.10390 CCNC(=O)C=Cc1ccc(c(c1)O)O 240690a_100015525214_100011195073 [0,2,0,0,0,0|1,0,0]=3 1257 B15R1.10390 CCOC(=O)C=Cc1c[nH]c(=O)c(c1)O 271570a_100010199719_100009814561 [0,2,0,0,0,0|1,0,1]=4 1258 B15R1.10390 CCOC(=O)C=Cc1cc(c(cn1)C)O 271570a_100010199719_100000704368 [0,2,0,0,0,0|2,0,0]=4 1259 B15R1.10390 CCOC(=O)C=Cc1cc(c(cn1)F)O 271570a_100010199719_100009854642 [0,2,0,0,0,0|2,0,0]=4 1260 B15R1.10390 CCOC(=O)C=Cc1cc(c(cn1)O)C 271570a_100010199719_100000692680 [0,2,0,0,0,0|2,0,0]=4 1261 B15R1.10390 CCOC(=O)C=Cc1cc(c(cn1)O)N 271570a_100010199719_100009819941 [0,2,0,0,0,0|2,0,0]=4 1262 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)Br)Br 271570a_100010199719_100012356285 [0,2,0,0,0,0|2,0,0]=4 1263 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)Br)C 271570a_100010199719_100011847877 [0,2,0,0,0,0|2,0,0]=4 1264 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)Br)Cl 271570a_100010199719_100012353702 [0,2,0,0,0,0|2,0,0]=4 1265 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)Br)F 271570a_100010199719_100012047266 [0,2,0,0,0,0|2,0,0]=4 1266 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)Br)N 271570a_100010199719_100000750455 [0,2,0,0,0,0|2,0,0]=4 1267 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)Br)O 271570a_100010199719_100012361655 [0,2,0,0,0,0|1,0,0]=3 1268 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)C)Br 271570a_100010199719_100009813585 [0,2,0,0,0,0|2,0,0]=4 1269 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)C)C 271570a_100010199719_100011215607 [0,2,0,0,0,0|2,0,0]=4 1270 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)C)Cl 271570a_100010199719_100000049509 [0,2,0,0,0,0|2,0,0]=4 1271 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)C)F 271570a_100010199719_100011218330 [0,2,0,0,0,0|2,0,0]=4 1272 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)C)N 271570a_100010199719_100000211769 [0,2,0,0,0,0|2,0,0]=4 1273 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)C)O 271570a_100010199719_100000186361 [0,2,0,0,0,0|1,0,0]=3 1274 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)Cl)Br 271570a_100010199719_100012047281 [0,2,0,0,0,0|2,0,0]=4 1275 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)Cl)C 271570a_100010199719_100011216363 [0,2,0,0,0,0|2,0,0]=4 1276 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)Cl)Cl 271570a_100010199719_100011214914 [0,2,0,0,0,0|2,0,0]=4 1277 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)Cl)F 271570a_100010199719_100011215976 [0,2,0,0,0,0|2,0,0]=4 1278 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)Cl)N 271570a_100010199719_100011218065 [0,2,0,0,0,0|2,0,0]=4 1279 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)Cl)O 271570a_100010199719_100012360047 [0,2,0,0,0,0|1,0,0]=3 1280 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)F)Br 271570a_100010199719_100000685389 [0,2,0,0,0,0|2,0,0]=4 1281 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)F)C 271570a_100010199719_100000720648 [0,2,0,0,0,0|2,0,0]=4 1282 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)F)Cl 271570a_100010199719_100011216805 [0,2,0,0,0,0|2,0,0]=4 1283 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)F)F 271570a_100010199719_100000750028 [0,2,0,0,0,0|2,0,0]=4 1284 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)F)N 271570a_100010199719_100011215594 [0,2,0,0,0,0|2,0,0]=4 1285 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)F)O 271570a_100010199719_100000185481 [0,2,0,0,0,0|1,0,0]=3 1286 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)N)Br 271570a_100010199719_100000750456 [0,2,0,0,0,0|2,0,0]=4 1287 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)N)C 271570a_100010199719_100000761890 [0,2,0,0,0,0|2,0,0]=4 1288 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)N)Cl 271570a_100010199719_200000761891 [0,2,0,0,0,0|2,0,0]=4 1289 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)N)F 271570a_100010199719_100000740924 [0,2,0,0,0,0|2,0,0]=4 1290 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)N)N 271570a_100010199719_100000741789 [0,2,0,0,0,0|2,0,0]=4 1291 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)N)O 271570a_100010199719_100000752626 [0,2,0,0,0,0|1,0,0]=3 1292 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)O)Br 271570a_100010199719_100012356990 [0,2,0,0,0,0|1,0,0]=3 1293 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)O)C 271570a_100010199719_100000766334 [0,2,0,0,0,0|1,0,0]=3 1294 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)O)Cl 271570a_100010199719_100011356854 [0,2,0,0,0,0|1,0,0]=3 1295 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)O)F 271570a_100010199719_100000686035 [0,2,0,0,0,0|1,0,0]=3 1296 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)O)N 271570a_100010199719_100000739049 [0,2,0,0,0,0|1,0,0]=3 1297 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)O)O 271570a_100010199719_100009813601 [0,2,0,0,0,0|0,0,0]=2 1298 B15R1.10390 CCOC(=O)C=Cc1ccc(c(n1)Br)O 271570a_100010199719_100000725334 [0,2,0,0,0,0|2,0,0]=4 1299 B15R1.10390 CCOC(=O)C=Cc1ccc(c(n1)C)O 271570a_100010199719_100010233687 [0,2,0,0,0,0|2,0,0]=4 1300 B15R1.10390 CCOC(=O)C=Cc1ccc(c(n1)Cl)O 271570a_100010199719_100000721234 [0,2,0,0,0,0|2,0,0]=4 1301 B15R1.10390 CCOC(=O)C=Cc1ccc(c(n1)F)O 271570a_100010199719_100009819667 [0,2,0,0,0,0|2,0,0]=4 1302 B15R1.10390 CCOC(=O)C=Cc1ccc(c(n1)N)O 271570a_100010199719_100000685527 [0,2,0,0,0,0|2,0,0]=4 1303 B15R1.10390 CCOC(=O)C=Cc1ccc(c(n1)O)F 271570a_100010199719_100010729010 [0,2,0,0,0,0|2,0,0]=4 1304 B15R1.10390 CCOC(=O)C=Cc1ccc(c(n1)O)N 271570a_100010199719_100000718904 [0,2,0,0,0,0|2,0,0]=4 1305 B15R1.10390 CCOC(=O)C=Cc1cnc(c(c1)C)O 271570a_100010199719_100000685391 [0,2,0,0,0,0|2,0,0]=4 1306 B15R1.10390 CCOC(=O)C=Cc1cnc(c(c1)Cl)O 271570a_100010199719_100010238531 [0,2,0,0,0,0|2,0,0]=4 1307 B15R1.10390 CCOC(=O)C=Cc1cnc(c(c1)N)O 271570a_100010199719_100000743729 [0,2,0,0,0,0|2,0,0]=4 1308 B15R1.10390 CCOC(=O)C=Cc1cnc(c(c1)O)C 271570a_100010199719_100009864810 [0,2,0,0,0,0|2,0,0]=4 1309 B15R1.10390 CCOC(=O)C=Cc1cnc(c(c1)O)F 271570a_100010199719_100009819871 [0,2,0,0,0,0|2,0,0]=4 1310 B15R1.10390 CCOC(=O)C=Cc1cnc(c(c1)O)N 271570a_100010199719_100009819042 [0,2,0,0,0,0|2,0,0]=4 1311 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)O)O 34a_100102946323_100000188475 [0,2,0,0,0,0|1,0,1]=4 1312 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)O)O 62a_100000188475_100009813601 [0,2,0,0,0,0|1,0,1]=4 1313 B15R1.10390 CNNC(=O)C=Cc1ccc(c(c1)Br)O 22a_100016993582_200103079279 [0,2,0,0,0,0|2,0,0]=4 1314 B15R1.10390 CNNC(=O)C=Cc1ccc(c(c1)Cl)O 22a_100016993582_200103117615 [0,2,0,0,0,0|2,0,0]=4 1315 B15R1.10390 CNNC(=O)C=Cc1ccc(c(c1)O)O 22a_100016993582_100011195073 [0,2,0,0,0,0|1,0,0]=3 1316 B15R1.10390 COCC(=O)C=Cc1ccc(c(c1)Br)Cl 6a_100000693810_100000211753 [0,2,0,0,0,0|2,0,0]=4 1317 B15R1.10390 COCC(=O)C=Cc1ccc(c(c1)Br)F 6a_100000211747_100000211753 [0,2,0,0,0,0|2,0,0]=4 1318 B15R1.10390 COCC(=O)C=Cc1ccc(c(c1)C)C 6a_100000229942_100000211753 [0,2,0,0,0,0|2,0,0]=4 1319 B15R1.10390 COCC(=O)C=Cc1ccc(c(c1)C)Cl 6a_100000698814_100000211753 [0,2,0,0,0,0|2,0,0]=4 1320 B15R1.10390 COCC(=O)C=Cc1ccc(c(c1)C)F 6a_100000748208_100000211753 [0,2,0,0,0,0|2,0,0]=4 1321 B15R1.10390 COCC(=O)C=Cc1ccc(c(c1)Cl)C 6a_100000760539_100000211753 [0,2,0,0,0,0|2,0,0]=4 1322 B15R1.10390 COCC(=O)C=Cc1ccc(c(c1)Cl)Cl 6a_100000188533_100000211753 [0,2,0,0,0,0|2,0,0]=4 1323 B15R1.10390 COCC(=O)C=Cc1ccc(c(c1)Cl)F 6a_100000742290_100000211753 [0,2,0,0,0,0|2,0,0]=4 1324 B15R1.10390 COCC(=O)C=Cc1ccc(c(c1)Cl)O 6a_100000186751_100000211753 [0,2,0,0,0,0|1,0,0]=3 1325 B15R1.10390 COCC(=O)C=Cc1ccc(c(c1)F)Br 6a_100000686674_100000211753 [0,2,0,0,0,0|2,0,0]=4 1326 B15R1.10390 COCC(=O)C=Cc1ccc(c(c1)F)C 6a_100000753222_100000211753 [0,2,0,0,0,0|2,0,0]=4 1327 B15R1.10390 COCC(=O)C=Cc1ccc(c(c1)F)Cl 6a_100000745630_100000211753 [0,2,0,0,0,0|2,0,0]=4 1328 B15R1.10390 COCC(=O)C=Cc1ccc(c(c1)F)F 6a_100000211062_100000211753 [0,2,0,0,0,0|2,0,0]=4 1329 B15R1.10390 COCC(=O)C=Cc1ccc(c(c1)F)I 6a_100000050832_100000211753 [0,2,0,0,0,0|2,0,0]=4 1330 B15R1.10390 COCC(=O)C=Cc1ccc(c(c1)F)O 6a_100000742332_100000211753 [0,2,0,0,0,0|1,0,0]=3 1331 B15R1.10390 COCC(=O)C=Cc1ccc(c(c1)I)Br 6a_100010146563_100000211753 [0,2,0,0,0,0|2,0,0]=4 1332 B15R1.10390 COCC(=O)C=Cc1ccc(c(c1)I)C 6a_100010197721_100000211753 [0,2,0,0,0,0|2,0,0]=4 1333 B15R1.10390 COCC(=O)C=Cc1ccc(c(c1)I)Cl 6a_100010209939_100000211753 [0,2,0,0,0,0|2,0,0]=4 1334 B15R1.10390 COCC(=O)C=Cc1ccc(c(c1)I)F 6a_100010188209_100000211753 [0,2,0,0,0,0|2,0,0]=4 1335 B15R1.10390 COCC(=O)C=Cc1ccc(c(c1)I)O 6a_100000186752_100000211753 [0,2,0,0,0,0|1,0,0]=3 1336 B15R1.10390 COCC(=O)C=Cc1ccc(c(c1)O)Cl 6a_100009876013_100000211753 [0,2,0,0,0,0|1,0,0]=3 1337 B15R1.10390 COCC(=O)C=Cc1ccc(c(c1)O)F 6a_100000102368_100000211753 [0,2,0,0,0,0|1,0,0]=3 1338 B15R1.10390 COCC(=O)C=Cc1ccc(c(c1)O)I 6a_100000041418_100000211753 [0,2,0,0,0,0|1,0,0]=3 1339 B15R1.10390 COCC(=O)CCc1ccc(c(c1)O)O 1458a_100000210968_200010393615 [0,2,0,0,0,0|0,0,2]=4 1340 B15R1.10390 COCC(=O)NCc1ccc(c(c1)O)O 240690a_100000010075_100000210968 [0,2,0,0,0,0|1,0,1]=4 1341 B15R1.10390 CSCC(=O)C=Cc1ccc(c(c1)Cl)O 6a_100000186751_100011216314 [0,2,0,0,0,0|1,1,0]=4 1342 B15R1.10390 CSCC(=O)C=Cc1ccc(c(c1)F)O 6a_100000742332_100011216314 [0,2,0,0,0,0|1,1,0]=4 1343 B15R1.10390 CSCC(=O)C=Cc1ccc(c(c1)I)O 6a_100000186752_100011216314 [0,2,0,0,0,0|1,1,0]=4 1344 B15R1.10390 CSCC(=O)C=Cc1ccc(c(c1)O)Cl 6a_100009876013_100011216314 [0,2,0,0,0,0|1,1,0]=4 1345 B15R1.10390 CSCC(=O)C=Cc1ccc(c(c1)O)F 6a_100000102368_100011216314 [0,2,0,0,0,0|1,1,0]=4 1346 B15R1.10390 CSCC(=O)C=Cc1ccc(c(c1)O)I 6a_100000041418_100011216314 [0,2,0,0,0,0|1,1,0]=4 1347 B15R1.10390 Cc1cc(ccc1F)C=CC(=O)CCO 1458a_100016261966_100000211926 [0,2,0,0,0,0|2,0,0]=4 1348 B15R1.10390 Cc1ccc(cc1C)C=CC(=O)CCO 1458a_100011338269_100000211926 [0,2,0,0,0,0|2,0,0]=4 1349 B15R1.10390 Cc1ccc(cc1F)C=CC(=O)CCO 1458a_100102526211_100000211926 [0,2,0,0,0,0|2,0,0]=4 1350 B15R1.10390 N#CCC(=O)C=Cc1ccc(c(c1)Br)O 1458a_200103079279_100011214920 [0,2,0,0,0,0|2,0,0]=4 1351 B15R1.10390 N#CCC(=O)C=Cc1ccc(c(c1)Cl)O 1458a_200103117615_100011214920 [0,2,0,0,0,0|2,0,0]=4 1352 B15R1.10390 N#CCC(=O)C=Cc1ccc(c(c1)Cl)O 6a_100000186751_100000184835 [0,2,0,0,0,0|2,0,0]=4 1353 B15R1.10390 N#CCC(=O)C=Cc1ccc(c(c1)F)O 6a_100000742332_100000184835 [0,2,0,0,0,0|2,0,0]=4 1354 B15R1.10390 N#CCC(=O)C=Cc1ccc(c(c1)I)O 6a_100000186752_100000184835 [0,2,0,0,0,0|2,0,0]=4 1355 B15R1.10390 N#CCC(=O)C=Cc1ccc(c(c1)O)Cl 6a_100009876013_100000184835 [0,2,0,0,0,0|2,0,0]=4 1356 B15R1.10390 N#CCC(=O)C=Cc1ccc(c(c1)O)F 6a_100000102368_100000184835 [0,2,0,0,0,0|2,0,0]=4 1357 B15R1.10390 N#CCC(=O)C=Cc1ccc(c(c1)O)I 6a_100000041418_100000184835 [0,2,0,0,0,0|2,0,0]=4 1358 B15R1.10390 O=C(C=Cc1ccc(c(c1)Br)Cl)CCO 1458a_100102889548_100000211926 [0,2,0,0,0,0|2,0,0]=4 1359 B15R1.10390 O=C(C=Cc1ccc(c(c1)Br)F)CCO 1458a_100011195070_100000211926 [0,2,0,0,0,0|2,0,0]=4 1360 B15R1.10390 O=C(C=Cc1ccc(c(c1)Br)O)CCF 1458a_200103079279_100011217306 [0,2,0,0,0,0|2,0,0]=4 1361 B15R1.10390 O=C(C=Cc1ccc(c(c1)Br)O)CCO 1458a_200103079279_100000211926 [0,2,0,0,0,0|1,0,0]=3 1362 B15R1.10390 O=C(C=Cc1ccc(c(c1)Cl)Cl)CCO 1458a_100000716972_100000211926 [0,2,0,0,0,0|2,0,0]=4 1363 B15R1.10390 O=C(C=Cc1ccc(c(c1)Cl)F)CCO 1458a_100102525453_100000211926 [0,2,0,0,0,0|2,0,0]=4 1364 B15R1.10390 O=C(C=Cc1ccc(c(c1)Cl)O)CCBr 6a_100000186751_100011261029 [0,2,0,0,0,0|2,0,0]=4 1365 B15R1.10390 O=C(C=Cc1ccc(c(c1)Cl)O)CCCl 6a_100000186751_100000053229 [0,2,0,0,0,0|2,0,0]=4 1366 B15R1.10390 O=C(C=Cc1ccc(c(c1)Cl)O)CCF 1458a_200103117615_100011217306 [0,2,0,0,0,0|2,0,0]=4 1367 B15R1.10390 O=C(C=Cc1ccc(c(c1)Cl)O)CCO 1458a_200103117615_100000211926 [0,2,0,0,0,0|1,0,0]=3 1368 B15R1.10390 O=C(C=Cc1ccc(c(c1)F)Br)CCO 1458a_100102601611_100000211926 [0,2,0,0,0,0|2,0,0]=4 1369 B15R1.10390 O=C(C=Cc1ccc(c(c1)F)Cl)CCO 1458a_100020610926_100000211926 [0,2,0,0,0,0|2,0,0]=4 1370 B15R1.10390 O=C(C=Cc1ccc(c(c1)F)F)CCO 1458a_100011195075_100000211926 [0,2,0,0,0,0|2,0,0]=4 1371 B15R1.10390 O=C(C=Cc1ccc(c(c1)F)O)CCBr 6a_100000742332_100011261029 [0,2,0,0,0,0|2,0,0]=4 1372 B15R1.10390 O=C(C=Cc1ccc(c(c1)F)O)CCCl 6a_100000742332_100000053229 [0,2,0,0,0,0|2,0,0]=4 1373 B15R1.10390 O=C(C=Cc1ccc(c(c1)I)O)CCBr 6a_100000186752_100011261029 [0,2,0,0,0,0|2,0,0]=4 1374 B15R1.10390 O=C(C=Cc1ccc(c(c1)I)O)CCCl 6a_100000186752_100000053229 [0,2,0,0,0,0|2,0,0]=4 1375 B15R1.10390 O=C(C=Cc1ccc(c(c1)O)Cl)CCBr 6a_100009876013_100011261029 [0,2,0,0,0,0|2,0,0]=4 1376 B15R1.10390 O=C(C=Cc1ccc(c(c1)O)Cl)CCCl 6a_100009876013_100000053229 [0,2,0,0,0,0|2,0,0]=4 1377 B15R1.10390 O=C(C=Cc1ccc(c(c1)O)F)CCBr 6a_100000102368_100011261029 [0,2,0,0,0,0|2,0,0]=4 1378 B15R1.10390 O=C(C=Cc1ccc(c(c1)O)F)CCCl 6a_100000102368_100000053229 [0,2,0,0,0,0|2,0,0]=4 1379 B15R1.10390 O=C(C=Cc1ccc(c(c1)O)I)CCBr 6a_100000041418_100011261029 [0,2,0,0,0,0|2,0,0]=4 1380 B15R1.10390 O=C(C=Cc1ccc(c(c1)O)I)CCCl 6a_100000041418_100000053229 [0,2,0,0,0,0|2,0,0]=4 1381 B15R1.10390 O=C(CCO)CCc1ccc(c(c1)O)O 1458a_100000042615_100000211926 [0,2,0,0,0,0|0,0,2]=4 1382 B15R1.10390 O=C(CCO)CCc1ccc(c(c1)O)O 1458a_100011216618_200010393615 [0,2,0,0,0,0|0,0,2]=4 1383 B15R1.10390 O=C(CCO)NCc1ccc(c(c1)O)O 240690a_100000010075_100011216618 [0,2,0,0,0,0|1,0,1]=4 1384 B15R1.10390 O=C(CSc1ccc(c(c1)O)O)NCO 62a_100000185155_100009813601 [0,2,0,0,0,0|1,0,1]=4 1385 B15R1.11472 CCC(=O)C=Cc1cc(c(cc1F)O)Cl 6a_100000700858_100000211110 [0,2,0,0,0,0|2,0,0]=4 1386 B15R1.11472 CCC(=O)C=Cc1cc(c(cc1F)O)F 6a_200000061741_100000211110 [0,2,0,0,0,0|2,0,0]=4 1387 B15R1.11472 O=C(C=Cc1cc(c(cc1F)O)Cl)CBr 6a_100000700858_100009888967 [0,2,0,0,0,0|2,0,0]=4 1388 B15R1.11472 O=C(C=Cc1cc(c(cc1F)O)Cl)CCl 6a_100000700858_100000086384 [0,2,0,0,0,0|2,0,0]=4 1389 B15R1.11472 O=C(C=Cc1cc(c(cc1F)O)Cl)CF 6a_100000700858_100000764096 [0,2,0,0,0,0|2,0,0]=4 1390 B15R1.11472 O=C(C=Cc1cc(c(cc1F)O)F)CBr 6a_200000061741_100009888967 [0,2,0,0,0,0|2,0,0]=4 1391 B15R1.11472 O=C(C=Cc1cc(c(cc1F)O)F)CCl 6a_200000061741_100000086384 [0,2,0,0,0,0|2,0,0]=4 1392 B15R1.11472 O=C(C=Cc1cc(c(cc1F)O)F)CF 6a_200000061741_100000764096 [0,2,0,0,0,0|2,0,0]=4 1393 B15R1.11473 CCC(=O)C=Cc1ccc(c(c1F)F)O 6a_100011830433_100000211110 [0,2,0,0,0,0|2,0,0]=4 1394 B15R1.11473 CCC(=O)C=Cc1ccc(c(c1F)O)F 6a_100009856147_100000211110 [0,2,0,0,0,0|2,0,0]=4 1395 B15R1.11473 O=C(C=Cc1ccc(c(c1F)F)O)CBr 6a_100011830433_100009888967 [0,2,0,0,0,0|2,0,0]=4 1396 B15R1.11473 O=C(C=Cc1ccc(c(c1F)F)O)CCl 6a_100011830433_100000086384 [0,2,0,0,0,0|2,0,0]=4 1397 B15R1.11473 O=C(C=Cc1ccc(c(c1F)F)O)CF 6a_100011830433_100000764096 [0,2,0,0,0,0|2,0,0]=4 1398 B15R1.11473 O=C(C=Cc1ccc(c(c1F)O)F)CBr 6a_100009856147_100009888967 [0,2,0,0,0,0|2,0,0]=4 1399 B15R1.11473 O=C(C=Cc1ccc(c(c1F)O)F)CCl 6a_100009856147_100000086384 [0,2,0,0,0,0|2,0,0]=4 1400 B15R1.11473 O=C(C=Cc1ccc(c(c1F)O)F)CF 6a_100009856147_100000764096 [0,2,0,0,0,0|2,0,0]=4 1401 B15R1.5380 CC(O)C=Cc1ccc(c(c1)O)B(O)O 271570a_200011019289_100010158982 [0,2,0,0,0,0|1,0,1]=4 1402 B13R1.387 CC=Cc1ccc(c(c1)C(=O)C)O 271570a_100016259895_100000212127 [0,0,1,1,0,0|2,0,0]=4 1403 B13R1.387 CC=Cc1ccc(c(c1)C(=O)N)O 271570a_100016259895_100000192807 [0,0,1,1,0,0|2,0,0]=4 1404 B13R2.155 Cc1ccc2ccc(cc2n1)O 271570a_203496583355_100009817087 [1,0,0,1,0,0|2,0,0]=4 1405 B13R2.155 Nc1ccc2ccc(cc2c1)O 271570a_203496583355_100010090036 [1,0,0,1,0,0|2,0,0]=4 1406 B13R2.155 Nc1ccc2ccc(cc2n1)O 271570a_203496583355_100010187616 [1,0,0,1,0,0|2,0,0]=4 1407 B13R2.155 O=c1ccc2ccc(cc2o1)O 271570a_203496583355_100009993525 [1,0,0,1,0,0|0,0,0]=2 1408 B13R2.155 O=c1ccc2cnc(cc2[nH]1)O 271570a_203496583355_100010563892 [1,0,0,1,0,0|2,0,0]=4 1409 B13R2.155 Oc1ccc2ccc(cc2c1)O 271570a_203496583355_100009816537 [1,0,0,1,0,0|1,0,0]=3 1410 B13R2.155 Oc1ccc2ccc(nc2c1)O 271570a_203496583355_100000079174 [1,0,0,1,0,0|1,0,0]=3 1411 B13R2.155 Oc1ccc2ccc(nc2c1)O 271570a_203496583355_100000690401 [1,0,0,1,0,0|1,0,0]=3 1412 B13R2.155 Oc1ccc2ccc(nc2n1)O 271570a_203496583355_200010218124 [1,0,0,1,0,0|2,0,0]=4 1413 B13R2.155 Oc1ccc2cnc(cc2c1)O 271570a_203496583355_100009817130 [1,0,0,1,0,0|2,0,0]=4 1414 B13R2.155 Oc1ccc2ncc(cc2c1)O 271570a_203496583355_100000703654 [1,0,0,1,0,0|2,0,0]=4 1415 B13R2.155 Oc1ccc2ncc(cc2c1)O 271570a_203496583355_100010137430 [1,0,0,1,0,0|2,0,0]=4 1416 B13R2.155 Oc1ccc2ncc(nc2c1)O 271570a_203496583355_100010000190 [1,0,0,1,0,0|2,0,0]=4 1417 B13R2.155 Oc1ccc2ncc(nc2c1)O 271570a_203496583355_200020640061 [1,0,0,1,0,0|2,0,0]=4 1418 B13R2.155 Oc1cnc2ccc(nc2c1)O 271570a_203496583355_100010009477 [1,0,0,1,0,0|2,0,0]=4 1419 B13R2.162 Cc1ccc2cccc(c2n1)O 271570a_203496583355_100011934484 [1,0,0,1,0,0|2,0,0]=4 1420 B13R2.162 Cc1cccc2c1cc(cc2)O 271570a_203496583355_100010089936 [1,0,0,1,0,0|2,0,0]=4 1421 B13R2.162 Cc1cccc2c1nc(cc2)O 271570a_203496583355_100012002297 [1,0,0,1,0,0|2,0,0]=4 1422 B13R2.162 Nc1ccc2cccc(c2n1)O 271570a_203496583355_100000687151 [1,0,0,1,0,0|2,0,0]=4 1423 B13R2.162 Nc1cccc2c1cc(cc2)O 271570a_203496583355_100010090012 [1,0,0,1,0,0|2,0,0]=4 1424 B13R2.162 O=c1ccc2cccc(c2[nH]1)O 271570a_203496583355_100000688906 [1,0,0,1,0,0|1,0,0]=3 1425 B13R2.162 Oc1ccc2cccc(c2c1)O 271570a_203496583355_100010089991 [1,0,0,1,0,0|1,0,0]=3 1426 B13R2.162 Oc1ccc2cccc(c2c1)O 271570a_203496583355_100010169565 [1,0,0,1,0,0|1,0,0]=3 1427 B13R2.162 Oc1ccc2cccc(c2n1)F 271570a_203496583355_100012017632 [1,0,0,1,0,0|2,0,0]=4 1428 B13R2.162 Oc1ccc2cccc(c2n1)O 271570a_203496583355_100010153751 [1,0,0,1,0,0|1,0,0]=3 1429 B13R2.162 Oc1ccc2ccnc(c2c1)O 271570a_203496583355_100000010956 [1,0,0,1,0,0|2,0,0]=4 1430 B13R2.162 Oc1ccc2ccnc(c2c1)O 271570a_203496583355_200009844553 [1,0,0,1,0,0|2,0,0]=4 1431 B13R2.162 Oc1ccc2cncc(c2c1)O 271570a_203496583355_100010136424 [1,0,0,1,0,0|2,0,0]=4 1432 B13R2.162 Oc1ccc2cncc(c2n1)O 271570a_203496583355_100009812673 [1,0,0,1,0,0|2,0,0]=4 1433 B13R2.162 Oc1ccc2nccc(c2c1)O 271570a_203496583355_100000075933 [1,0,0,1,0,0|2,0,0]=4 1434 B13R2.162 Oc1cnc2cccc(c2c1)O 271570a_203496583355_200010153752 [1,0,0,1,0,0|2,0,0]=4 1435 B13R2.162 Oc1ncc2cccc(c2n1)O 271570a_203496583355_100010674811 [1,0,0,1,0,0|2,0,0]=4 1436 B13R2.3683 Cc1ccc2cc(ccc2n1)O 271570a_203496583355_100000686635 [1,0,0,1,0,0|2,0,0]=4 1437 B13R2.3683 Cc1ccc2nc(ccc2c1)O 271570a_203496583355_100011865911 [1,0,0,1,0,0|2,0,0]=4 1438 B13R2.3683 Nc1ccc2cc(ccc2c1)O 271570a_203496583355_100000185457 [1,0,0,1,0,0|2,0,0]=4 1439 B13R2.3683 Nc1ccc2cc(ccc2n1)O 271570a_203496583355_100011934619 [1,0,0,1,0,0|2,0,0]=4 1440 B13R2.3683 O=C1CCc2cc(ccc2O1)O 271570a_203496583355_100010179853 [1,0,0,1,0,0|0,0,2]=4 1441 B13R2.3683 O=c1ccc2cc(ccc2[nH]1)O 271570a_203496583355_100011934725 [1,0,0,1,0,0|1,0,0]=3 1442 B13R2.3683 O=c1ccc2cc(ccc2o1)O 271570a_203496583355_100009999946 [1,0,0,1,0,0|0,0,0]=2 1443 B13R2.3683 O=c1cnc2cc(ccc2[nH]1)O 271570a_203496583355_100010209493 [1,0,0,1,0,0|2,0,0]=4 1444 B13R2.3683 Oc1ccc2cc(ccc2c1)Br 271570a_203496583355_100012344972 [1,0,0,1,0,0|2,0,0]=4 1445 B13R2.3683 Oc1ccc2cc(ccc2c1)F 271570a_203496583355_100009817052 [1,0,0,1,0,0|2,0,0]=4 1446 B13R2.3683 Oc1ccc2cc(ccc2c1)O 271570a_203496583355_100000185455 [1,0,0,1,0,0|1,0,0]=3 1447 B13R2.3683 Oc1ccc2cc(ccc2n1)F 271570a_203496583355_100011998705 [1,0,0,1,0,0|2,0,0]=4 1448 B13R2.3683 Oc1ccc2nc(ccc2c1)Cl 271570a_203496583355_200012034268 [1,0,0,1,0,0|2,0,0]=4 1449 B13R2.3683 Oc1ccc2nc(ccc2c1)O 271570a_203496583355_100009849208 [1,0,0,1,0,0|1,0,0]=3 1450 B13R2.3683 Oc1ccc2nc(cnc2c1)O 271570a_203496583355_200010664160 [1,0,0,1,0,0|2,0,0]=4 1451 B13R2.3683 Oc1cnc2cc(ccc2c1)O 271570a_203496583355_200010153753 [1,0,0,1,0,0|2,0,0]=4 1452 B13R2.3683 Oc1cnc2nc(ccc2c1)O 271570a_203496583355_100009814606 [1,0,0,1,0,0|2,0,0]=4 1453 B13R2.32 Cc1c(ccc2c1cccc2)O 271570a_203496583355_100010221197 [1,0,0,1,0,0|2,0,0]=4 1454 B13R2.32 Cc1c(ccc2c1nccc2)O 271570a_203496583355_100010214467 [1,0,0,1,0,0|2,0,0]=4 1455 B13R2.32 Cc1ccc2ccccc2c1O 271570a_203496583355_100000759710 [1,0,0,1,0,0|2,0,0]=4 1456 B13R2.32 Nc1c(ccc2c1cccc2)O 271570a_203496583355_100009817101 [1,0,0,1,0,0|2,0,0]=4 1457 B13R2.32 Nc1ccc2ccccc2c1O 271570a_203496583355_100000705303 [1,0,0,1,0,0|2,0,0]=4 1458 B13R2.32 Oc1c(ccc2c1cccc2)Br 271570a_203496583355_100010090040 [1,0,0,1,0,0|2,0,0]=4 1459 B13R2.32 Oc1ccc2ccccc2c1Br 271570a_203496583355_200010089984 [1,0,0,1,0,0|2,0,0]=4 1460 B13R2.32 Oc1ccc2ccccc2c1F 271570a_203496583355_100009832041 [1,0,0,1,0,0|2,0,0]=4 1461 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100000183829 [1,0,0,1,0,0|1,0,0]=3 1462 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100009996032 [1,0,0,1,0,0|1,0,0]=3 1463 B13R2.32 Oc1ccc2cccnc2c1F 271570a_203496583355_100010751467 [1,0,0,1,0,0|2,0,0]=4 1464 B13R2.32 Oc1ccc2cccnc2c1O 271570a_203496583355_100009816563 [1,0,0,1,0,0|1,0,0]=3 1465 B13R2.32 Oc1ccc2cccnc2c1O 271570a_203496583355_100010173343 [1,0,0,1,0,0|1,0,0]=3 1466 B13R2.32 Oc1ccc2ccncc2c1O 271570a_203496583355_200010115057 [1,0,0,1,0,0|2,0,0]=4 1467 B13R2.369 Cc1cc2ncccc2cc1O 271570a_203496583355_100010137429 [1,0,0,1,0,0|2,0,0]=4 1468 B13R2.369 Nc1cc2ccccc2cc1O 271570a_203496583355_100009991566 [1,0,0,1,0,0|2,0,0]=4 1469 B13R2.369 Oc1cc2ccccc2cc1Br 271570a_203496583355_200010169544 [1,0,0,1,0,0|2,0,0]=4 1470 B13R2.369 Oc1cc2ccccc2cc1Cl 271570a_203496583355_100010152806 [1,0,0,1,0,0|2,0,0]=4 1471 B13R2.369 Oc1cc2ccccc2cc1O 271570a_203496583355_100009817189 [1,0,0,1,0,0|1,0,0]=3 1472 B13R2.369 Oc1cc2ccccc2nc1O 271570a_203496583355_200000100762 [1,0,0,1,0,0|2,0,0]=4 1473 B13R2.369 Oc1cc2ccccc2nc1O 271570a_203496583355_200009820883 [1,0,0,1,0,0|2,0,0]=4 1474 B13R2.369 Oc1cc2cccnc2cc1F 271570a_203496583355_100009854028 [1,0,0,1,0,0|2,0,0]=4 1475 B13R2.369 Oc1cc2cccnc2cc1O 271570a_203496583355_200010153759 [1,0,0,1,0,0|1,0,0]=3 1476 B15R2.299 Cc1cc(cs1)c2ccc(c(c2)O)O 271570a_100000699828_100009813601 [0,0,0,1,0,1|2,0,0]=4 1477 B15R2.299 Cc1ccc(o1)c2ccc(c(c2)Br)O 271570a_100000061910_100012361655 [0,0,0,1,0,1|2,0,0]=4 1478 B15R2.299 Cc1ccc(o1)c2ccc(c(c2)C)O 271570a_100000061910_100000186361 [0,0,0,1,0,1|2,0,0]=4 1479 B15R2.299 Cc1ccc(o1)c2ccc(c(c2)Cl)O 271570a_100000061910_100012360047 [0,0,0,1,0,1|2,0,0]=4 1480 B15R2.299 Cc1ccc(o1)c2ccc(c(c2)F)O 271570a_100000061910_100000185481 [0,0,0,1,0,1|2,0,0]=4 1481 B15R2.299 Cc1ccc(o1)c2ccc(c(c2)N)O 271570a_100000061910_100000752626 [0,0,0,1,0,1|2,0,0]=4 1482 B15R2.299 Cc1ccc(o1)c2ccc(c(c2)O)Br 271570a_100000061910_100012356990 [0,0,0,1,0,1|2,0,0]=4 1483 B15R2.299 Cc1ccc(o1)c2ccc(c(c2)O)C 271570a_100000061910_100000766334 [0,0,0,1,0,1|2,0,0]=4 1484 B15R2.299 Cc1ccc(o1)c2ccc(c(c2)O)Cl 271570a_100000061910_100011356854 [0,0,0,1,0,1|2,0,0]=4 1485 B15R2.299 Cc1ccc(o1)c2ccc(c(c2)O)F 271570a_100000061910_100000686035 [0,0,0,1,0,1|2,0,0]=4 1486 B15R2.299 Cc1ccc(o1)c2ccc(c(c2)O)N 271570a_100000061910_100000739049 [0,0,0,1,0,1|2,0,0]=4 1487 B15R2.299 Cc1ccc(o1)c2ccc(c(c2)O)O 271570a_100000061910_100009813601 [0,0,0,1,0,1|1,0,0]=3 1488 B15R2.299 Cc1ccc(s1)c2ccc(c(c2)O)O 271570a_100011934456_100009813601 [0,0,0,1,0,1|1,1,0]=4 1489 B15R2.299 Cc1csc(c1)c2ccc(c(c2)O)O 271570a_100000038307_100009813601 [0,0,0,1,0,1|2,0,0]=4 1490 B15R2.299 Cc1ncc(s1)c2ccc(c(c2)O)O 271570a_100000696845_100009813601 [0,0,0,1,0,1|1,1,0]=4 1491 B15R2.299 O=C1C=C(CC1)c2ccc(c(c2)O)O 271570a_100010737933_100009813601 [0,0,0,1,0,1|1,0,1]=4 1492 B15R2.299 Oc1ccc(cc1O)c2ccc(s2)Cl 271570a_100000708867_100009813601 [0,0,0,1,0,1|1,1,0]=4 1493 B15R2.299 Oc1nc(no1)c2ccc(c(c2)O)O 270196a_100000763242_100015183105 [0,0,0,1,0,1|2,0,0]=4 1494 B15R2.1754 C=Cc1cc2ccc(cc2cc1O)O 271570a_100011290941_100010179872 [0,1,0,1,0,0|2,0,0]=4 1495 B15R2.1754 CSc1cc2ccc(cc2cc1O)O 62a_200000210301_100010179872 [0,1,0,1,0,0|1,1,0]=4 1496 B15R2.1754 [13CH3]Sc1cc2ccc(cc2cc1O)O 62a_200025704644_100010179872 [0,1,0,1,0,0|1,1,0]=4 1497 B15R2.7688 CC(=O)C=Cc1ccc2c(c1)CCO2 1458a_100000241297_200000210301 [0,1,0,1,0,0|2,0,0]=4 1498 B15R2.7688 CC(=O)C=Cc1ccc2c(c1)OCO2 1458a_100000182195_200000210301 [0,1,0,1,0,0|1,0,0]=3 1499 B15R2.7688 CC(O)C=Cc1ccc2c(c1)OCO2 271570a_200011019289_100000688060 [0,1,0,1,0,0|1,0,1]=4 1500 B15R2.7688 [13CH3]C(=O)C=Cc1ccc2c(c1)CCO2 1458a_100000241297_200025704644 [0,1,0,1,0,0|2,0,0]=4 1501 B15R2.7688 [13CH3]C(=O)C=Cc1ccc2c(c1)OCO2 1458a_100000182195_200025704644 [0,1,0,1,0,0|1,0,0]=3 1502 B15R2.4774 COc1ccc2ccc(cc2c1O)C 271570a_203496583355_203437268721 [0,1,0,1,0,0|2,0,0]=4 1503 B11R1.20 CC(=Cc1ccc(cc1)O)C 271570a_100102525489_100000185759 [1,0,0,0,1,0|2,0,0]=4 1504 B11R1.20 CC(=O)Cc1ccc(cc1)O 1458a_100000198540_200000210301 [1,0,0,0,1,0|1,0,1]=4 1505 B11R1.20 CC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000691760 [1,0,0,0,1,0|1,0,1]=4 1506 B11R1.20 CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000070787 [1,0,0,0,1,0|2,0,0]=4 1507 B11R1.20 CC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000155215 [1,0,0,0,1,0|2,0,0]=4 1508 B11R1.20 CC(=O)Oc1ccc(cc1)O 271570a_203496583355_100000002173 [1,0,0,0,1,0|2,0,0]=4 1509 B11R1.20 CC(=O)Sc1ccc(cc1)O 271570a_203496583355_200009995050 [1,0,0,0,1,0|2,0,0]=4 1510 B11R1.20 NC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000162331 [1,0,0,0,1,0|1,0,1]=4 1511 B11R1.20 NC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000198584 [1,0,0,0,1,0|2,0,0]=4 1512 B11R1.20 Oc1ccc(cc1)C=C(Br)Br 271570a_203496583355_200013992848 [1,0,0,0,1,0|2,0,0]=4 1513 B11R1.20 Oc1ccc(cc1)C=C(F)F 271570a_203496583355_200009816947 [1,0,0,0,1,0|2,0,0]=4 1514 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)O 1458a_100000198540_200025704644 [1,0,0,0,1,0|1,0,1]=4 1515 B11R1.157 CC(=Cc1cccc(c1)O)C 271570a_100102525489_100000211634 [1,0,0,0,1,0|2,0,0]=4 1516 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000070787_100011660834 [1,0,0,0,1,0|1,0,1]=4 1517 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000745134_200000210301 [1,0,0,0,1,0|1,0,1]=4 1518 B11R1.157 CC(=O)Cc1cccc(c1)O 271570a_203496583355_100000689217 [1,0,0,0,1,0|1,0,1]=4 1519 B11R1.157 CC(=O)Nc1cccc(c1)O 1626a_100000210217_100015343762 [1,0,0,0,1,0|2,0,0]=4 1520 B11R1.157 CC(=O)Nc1cccc(c1)O 22a_100000210217_100000070787 [1,0,0,0,1,0|2,0,0]=4 1521 B11R1.157 CC(=O)Nc1cccc(c1)O 271570a_203496583355_100000153616 [1,0,0,0,1,0|2,0,0]=4 1522 B11R1.157 CC(=O)Nc1cccc(c1)O 527a_100000210217_100103153847 [1,0,0,0,1,0|2,0,0]=4 1523 B11R1.157 CC(=O)Oc1cccc(c1)O 271570a_203496583355_100009811612 [1,0,0,0,1,0|2,0,0]=4 1524 B11R1.157 NC(=O)Cc1cccc(c1)O 271570a_203496583355_100011586816 [1,0,0,0,1,0|1,0,1]=4 1525 B11R1.157 NC(=O)Nc1cccc(c1)O 271570a_203496583355_100000238923 [1,0,0,0,1,0|2,0,0]=4 1526 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)O 1458a_100000745134_200025704644 [1,0,0,0,1,0|1,0,1]=4 1527 B11R1.21 C=C(C)c1ccc(c(c1)O)O 271570a_100000694244_100009813601 [0,0,0,0,2,0|2,0,0]=4 1528 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200000210301 [0,0,0,0,2,0|2,0,0]=4 1529 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100010146554 [0,0,0,0,2,0|2,0,0]=4 1530 B11R1.21 CC(=O)c1ccc(c(c1)C)O 1458a_100000685612_200000210301 [0,0,0,0,2,0|2,0,0]=4 1531 B11R1.21 CC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100000697869 [0,0,0,0,2,0|2,0,0]=4 1532 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200000210301 [0,0,0,0,2,0|2,0,0]=4 1533 B11R1.21 CC(=O)c1ccc(c(c1)F)O 1458a_100000185466_200000210301 [0,0,0,0,2,0|2,0,0]=4 1534 B11R1.21 CC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000690002 [0,0,0,0,2,0|2,0,0]=4 1535 B11R1.21 CC(=O)c1ccc(c(c1)I)O 1458a_100000037485_200000210301 [0,0,0,0,2,0|2,0,0]=4 1536 B11R1.21 CC(=O)c1ccc(c(c1)N)O 271570a_203496583355_100009816534 [0,0,0,0,2,0|2,0,0]=4 1537 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200000210301 [0,0,0,0,2,0|2,0,0]=4 1538 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 271570a_203496583355_100010146556 [0,0,0,0,2,0|2,0,0]=4 1539 B11R1.21 CC(=O)c1ccc(c(c1)O)C 1458a_100000233767_200000210301 [0,0,0,0,2,0|2,0,0]=4 1540 B11R1.21 CC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100011934287 [0,0,0,0,2,0|2,0,0]=4 1541 B11R1.21 CC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200000210301 [0,0,0,0,2,0|2,0,0]=4 1542 B11R1.21 CC(=O)c1ccc(c(c1)O)F 1458a_100000035894_200000210301 [0,0,0,0,2,0|2,0,0]=4 1543 B11R1.21 CC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100000239719 [0,0,0,0,2,0|2,0,0]=4 1544 B11R1.21 CC(=O)c1ccc(c(c1)O)I 1458a_100000239334_200000210301 [0,0,0,0,2,0|2,0,0]=4 1545 B11R1.21 CC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100012029215 [0,0,0,0,2,0|2,0,0]=4 1546 B11R1.21 CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_200000210301 [0,0,0,0,2,0|1,0,0]=3 1547 B11R1.21 CC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100011772453 [0,0,0,0,2,0|1,0,0]=3 1548 B11R1.21 Cc1cc(ccc1O)C(=O)N 271570a_203496583355_100011218126 [0,0,0,0,2,0|2,0,0]=4 1549 B11R1.21 Cc1cc(ccc1O)C(=O)[13CH3] 1458a_100000685612_200025704644 [0,0,0,0,2,0|2,0,0]=4 1550 B11R1.21 Cc1ccc(cc1O)C(=O)N 271570a_203496583355_100000186401 [0,0,0,0,2,0|2,0,0]=4 1551 B11R1.21 Cc1ccc(cc1O)C(=O)[13CH3] 1458a_100000233767_200025704644 [0,0,0,0,2,0|2,0,0]=4 1552 B11R1.21 NC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100009814583 [0,0,0,0,2,0|2,0,0]=4 1553 B11R1.21 NC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000686215 [0,0,0,0,2,0|2,0,0]=4 1554 B11R1.21 NC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100011202321 [0,0,0,0,2,0|2,0,0]=4 1555 B11R1.21 NC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012344895 [0,0,0,0,2,0|1,0,0]=3 1556 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200025704644 [0,0,0,0,2,0|2,0,0]=4 1557 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200025704644 [0,0,0,0,2,0|2,0,0]=4 1558 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)O 1458a_100000185466_200025704644 [0,0,0,0,2,0|2,0,0]=4 1559 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)O 1458a_100000037485_200025704644 [0,0,0,0,2,0|2,0,0]=4 1560 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200025704644 [0,0,0,0,2,0|2,0,0]=4 1561 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200025704644 [0,0,0,0,2,0|2,0,0]=4 1562 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)F 1458a_100000035894_200025704644 [0,0,0,0,2,0|2,0,0]=4 1563 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)I 1458a_100000239334_200025704644 [0,0,0,0,2,0|2,0,0]=4 1564 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)O 1458a_100000212155_200025704644 [0,0,0,0,2,0|1,0,0]=3 1565 B13R1.513 CC(=O)NN=Cc1ccc(cc1)O 4a_100000189765_100000185832 [1,0,0,0,0,1|2,0,0]=4 1566 B13R1.149 CC(=O)NN=Cc1cccc(c1)O 4a_100000189765_100000188321 [1,0,0,0,0,1|2,0,0]=4 1567 B13R1.149 O=C(O)CNCc1cccc(c1)O 269956a_100016091260_100011660834 [1,0,0,0,0,1|0,0,2]=4 1568 B15R1.888 CC(=O)OCC=Cc1ccc(c(c1)Br)O 271570a_200000047263_100012361655 [0,0,0,0,0,2|2,0,0]=4 1569 B15R1.888 CC(=O)OCC=Cc1ccc(c(c1)C)O 271570a_200000047263_100000186361 [0,0,0,0,0,2|2,0,0]=4 1570 B15R1.888 CC(=O)OCC=Cc1ccc(c(c1)Cl)O 271570a_200000047263_100012360047 [0,0,0,0,0,2|2,0,0]=4 1571 B15R1.888 CC(=O)OCC=Cc1ccc(c(c1)F)O 271570a_200000047263_100000185481 [0,0,0,0,0,2|2,0,0]=4 1572 B15R1.888 CC(=O)OCC=Cc1ccc(c(c1)N)O 271570a_200000047263_100000752626 [0,0,0,0,0,2|2,0,0]=4 1573 B15R1.888 CC(=O)OCC=Cc1ccc(c(c1)O)Br 271570a_200000047263_100012356990 [0,0,0,0,0,2|2,0,0]=4 1574 B15R1.888 CC(=O)OCC=Cc1ccc(c(c1)O)C 271570a_200000047263_100000766334 [0,0,0,0,0,2|2,0,0]=4 1575 B15R1.888 CC(=O)OCC=Cc1ccc(c(c1)O)Cl 271570a_200000047263_100011356854 [0,0,0,0,0,2|2,0,0]=4 1576 B15R1.888 CC(=O)OCC=Cc1ccc(c(c1)O)F 271570a_200000047263_100000686035 [0,0,0,0,0,2|2,0,0]=4 1577 B15R1.888 CC(=O)OCC=Cc1ccc(c(c1)O)N 271570a_200000047263_100000739049 [0,0,0,0,0,2|2,0,0]=4 1578 B15R1.888 CC(=O)OCC=Cc1ccc(c(c1)O)O 271570a_200000047263_100009813601 [0,0,0,0,0,2|1,0,0]=3 1579 B15R1.888 O=C(O)CNCCc1ccc(c(c1)O)O 269956a_100016091260_200010393615 [0,0,0,0,0,2|0,0,2]=4 1580 B15R1.888 OB(O)/C=C/CSc1ccc(c(c1)O)O 62a_100016262062_100009813601 [0,0,0,0,0,2|1,0,1]=4