0 B15R1.12854 C=C(C)CNc1ccc(c(c1)OC)OC 34a_100000187404_100000748629 [0,0,0,0,0,0|3,0,0]=3 1 B15R1.12854 C=C(C)COc1ccc(c(c1)OC)OC 34a_100000039706_100000748629 [0,0,0,0,0,0|3,0,0]=3 2 B15R1.12854 C=C(C)CSc1ccc(c(c1)CC)OC 62a_100000748629_200010179862 [0,0,0,0,0,0|4,0,0]=4 3 B15R1.12854 C=C(C)CSc1ccc(c(c1)CC)OC 62a_200010179862_100000211660 [0,0,0,0,0,0|4,0,0]=4 4 B15R1.12854 C=C(C)CSc1ccc(c(c1)OC)CC 62a_100000748629_200010710398 [0,0,0,0,0,0|4,0,0]=4 5 B15R1.12854 C=C(C)CSc1ccc(c(c1)OC)CC 62a_200010710398_100000211660 [0,0,0,0,0,0|4,0,0]=4 6 B15R1.12854 C=C(C)CSc1ccc(c(c1)OC)OC 62a_100000748629_100011356967 [0,0,0,0,0,0|3,0,0]=3 7 B15R1.12854 C=C(C)CSc1ccc(c(c1)OC)SC 62a_200011001119_100000211660 [0,0,0,0,0,0|3,1,0]=4 8 B15R1.12854 C=C(C)CSc1ccc(c(c1)SC)OC 62a_200009892704_100000211660 [0,0,0,0,0,0|3,1,0]=4 9 B15R1.12854 C=C(C)CSc1ccc(c(n1)OC)OC 62a_100000748629_100010214848 [0,0,0,0,0,0|4,0,0]=4 10 B15R1.12854 C=C(C)CSc1cnc(c(c1)OC)OC 62a_100000748629_100010234541 [0,0,0,0,0,0|4,0,0]=4 11 B15R1.12854 C=C(F)CNc1ccc(c(c1)OC)OC 34a_100000187404_100009893438 [0,0,0,0,0,0|3,0,0]=3 12 B15R1.12854 C=C(F)COc1ccc(c(c1)OC)OC 34a_100000039706_100009893438 [0,0,0,0,0,0|3,0,0]=3 13 B15R1.12854 C=C(F)CSc1ccc(c(c1)CC)OC 62a_100000042424_200010179862 [0,0,0,0,0,0|4,0,0]=4 14 B15R1.12854 C=C(F)CSc1ccc(c(c1)CC)OC 62a_200010179862_100000042424 [0,0,0,0,0,0|4,0,0]=4 15 B15R1.12854 C=C(F)CSc1ccc(c(c1)OC)CC 62a_100000042424_200010710398 [0,0,0,0,0,0|4,0,0]=4 16 B15R1.12854 C=C(F)CSc1ccc(c(c1)OC)CC 62a_200010710398_100000042424 [0,0,0,0,0,0|4,0,0]=4 17 B15R1.12854 C=C(F)CSc1ccc(c(c1)OC)OC 62a_100000042424_100011356967 [0,0,0,0,0,0|3,0,0]=3 18 B15R1.12854 C=C(F)CSc1ccc(c(c1)OC)SC 62a_200011001119_100000042424 [0,0,0,0,0,0|3,1,0]=4 19 B15R1.12854 C=C(F)CSc1ccc(c(c1)SC)OC 62a_200009892704_100000042424 [0,0,0,0,0,0|3,1,0]=4 20 B15R1.12854 C=C(F)CSc1ccc(c(n1)OC)OC 62a_100000042424_100010214848 [0,0,0,0,0,0|4,0,0]=4 21 B15R1.12854 C=C(F)CSc1cnc(c(c1)OC)OC 62a_100000042424_100010234541 [0,0,0,0,0,0|4,0,0]=4 22 B15R1.12854 CCc1cc(ccc1OC)SCC(=O)N 62a_100000747473_200010179862 [0,0,0,0,0,0|3,0,0]=3 23 B15R1.12854 CCc1cc(ccc1OC)SCC(=O)N 62a_200010179862_100000747473 [0,0,0,0,0,0|3,0,0]=3 24 B15R1.12854 CCc1cc(ccc1OC)SCC(=O)[O-] 62a_100020667443_200010179862 [0,0,0,0,0,0|2,0,1]=3 25 B15R1.12854 CCc1cc(ccc1OC)SCC(=O)[O-] 62a_200010179862_100020667443 [0,0,0,0,0,0|2,0,1]=3 26 B15R1.12854 CCc1cc(ccc1OC)SCC(C)O 62a_100011218427_200010179862 [0,0,0,0,0,0|3,0,1]=4 27 B15R1.12854 CCc1cc(ccc1OC)SCC(C)O 62a_200010179862_100011218427 [0,0,0,0,0,0|3,0,1]=4 28 B15R1.12854 CCc1cc(ccc1OC)SC[C@@H](C)O 62a_100009817552_200010179862 [0,0,0,0,0,0|3,0,1]=4 29 B15R1.12854 CCc1cc(ccc1OC)SC[C@@H](C)O 62a_200010179862_100009817552 [0,0,0,0,0,0|3,0,1]=4 30 B15R1.12854 CCc1cc(ccc1OC)SC[N+](=O)[O-] 62a_200010179862_100000761209 [0,0,0,0,0,0|3,0,1]=4 31 B15R1.12854 CCc1ccc(cc1OC)SCC(=O)N 62a_100000747473_200010710398 [0,0,0,0,0,0|3,0,0]=3 32 B15R1.12854 CCc1ccc(cc1OC)SCC(=O)N 62a_200010710398_100000747473 [0,0,0,0,0,0|3,0,0]=3 33 B15R1.12854 CCc1ccc(cc1OC)SCC(=O)[O-] 62a_100020667443_200010710398 [0,0,0,0,0,0|2,0,1]=3 34 B15R1.12854 CCc1ccc(cc1OC)SCC(=O)[O-] 62a_200010710398_100020667443 [0,0,0,0,0,0|2,0,1]=3 35 B15R1.12854 CCc1ccc(cc1OC)SCC(C)O 62a_100011218427_200010710398 [0,0,0,0,0,0|3,0,1]=4 36 B15R1.12854 CCc1ccc(cc1OC)SCC(C)O 62a_200010710398_100011218427 [0,0,0,0,0,0|3,0,1]=4 37 B15R1.12854 CCc1ccc(cc1OC)SC[C@@H](C)O 62a_100009817552_200010710398 [0,0,0,0,0,0|3,0,1]=4 38 B15R1.12854 CCc1ccc(cc1OC)SC[C@@H](C)O 62a_200010710398_100009817552 [0,0,0,0,0,0|3,0,1]=4 39 B15R1.12854 CCc1ccc(cc1OC)SC[N+](=O)[O-] 62a_200010710398_100000761209 [0,0,0,0,0,0|3,0,1]=4 40 B15R1.12854 COc1cc(ccc1C#N)NCC(=O)N 34a_100011999456_100000187820 [0,0,0,0,0,0|4,0,0]=4 41 B15R1.12854 COc1cc(ccc1C#N)NCC(=O)[O-] 34a_100011999456_100020667443 [0,0,0,0,0,0|3,0,1]=4 42 B15R1.12854 COc1cc(ccc1C#N)SCC(=O)N 62a_100000747473_100000694671 [0,0,0,0,0,0|4,0,0]=4 43 B15R1.12854 COc1cc(ccc1C#N)SCC(=O)[O-] 62a_100020667443_100000694671 [0,0,0,0,0,0|3,0,1]=4 44 B15R1.12854 COc1cc(ccc1C=O)SCC(=O)N 62a_100000697075_100000747473 [0,0,0,0,0,0|4,0,0]=4 45 B15R1.12854 COc1cc(ccc1C=O)SCC(=O)N 62a_100000747473_100010290300 [0,0,0,0,0,0|4,0,0]=4 46 B15R1.12854 COc1cc(ccc1C=O)SCC(=O)[O-] 62a_100000697075_100020667443 [0,0,0,0,0,0|3,0,1]=4 47 B15R1.12854 COc1cc(ccc1C=O)SCC(=O)[O-] 62a_100020667443_100010290300 [0,0,0,0,0,0|3,0,1]=4 48 B15R1.12854 COc1cc(ccc1CO)NCC(=O)N 34a_100012183141_100000187820 [0,0,0,0,0,0|4,0,0]=4 49 B15R1.12854 COc1cc(ccc1CO)NCC(=O)[O-] 34a_100012183141_100020667443 [0,0,0,0,0,0|3,0,1]=4 50 B15R1.12854 COc1cc(ccc1CO)OCC(=O)C 1458a_200000048963_200000210301 [0,0,0,0,0,0|4,0,0]=4 51 B15R1.12854 COc1cc(ccc1CO)OCC(=O)N 34a_200000116926_100000187820 [0,0,0,0,0,0|4,0,0]=4 52 B15R1.12854 COc1cc(ccc1CO)OCC(=O)[13CH3] 1458a_200000048963_200025704644 [0,0,0,0,0,0|4,0,0]=4 53 B15R1.12854 COc1cc(ccc1CO)OCC(=O)[O-] 34a_200000116926_100020667443 [0,0,0,0,0,0|3,0,1]=4 54 B15R1.12854 COc1cc(ccc1CO)SCC(=O)N 62a_100000747473_100011277633 [0,0,0,0,0,0|4,0,0]=4 55 B15R1.12854 COc1cc(ccc1CO)SCC(=O)N 62a_100011277633_100000747473 [0,0,0,0,0,0|4,0,0]=4 56 B15R1.12854 COc1cc(ccc1CO)SCC(=O)[O-] 62a_100011277633_100020667443 [0,0,0,0,0,0|3,0,1]=4 57 B15R1.12854 COc1cc(ccc1CO)SCC(=O)[O-] 62a_100020667443_100011277633 [0,0,0,0,0,0|3,0,1]=4 58 B15R1.12854 COc1cc(ccc1O[13CH3])/C=C/C(=O)C 34a_100102526088_200025704644 [0,0,0,0,0,0|1,0,2]=3 59 B15R1.12854 COc1cc(ccc1O[13CH3])C=C[N+](=O)[O-] 34a_200103042931_200025704644 [0,0,0,0,0,0|1,0,3]=4 60 B15R1.12854 COc1cc(ccc1O[13CH3])CCC(=O)C 34a_100011290831_200025704644 [0,0,0,0,0,0|1,0,0]=1 61 B15R1.12854 COc1cc(ccc1O[13CH3])CCC(=O)C 7a_100011290831_200025704644 [0,0,0,0,0,0|1,0,0]=1 62 B15R1.12854 COc1cc(ccc1O[13CH3])CC[N+](=O)[O-] 34a_100000080128_200025704644 [0,0,0,0,0,0|1,0,1]=2 63 B15R1.12854 COc1cc(ccc1O[13CH3])CC[N+](=O)[O-] 7a_100000080128_200025704644 [0,0,0,0,0,0|1,0,1]=2 64 B15R1.12854 COc1cc(ccc1O[13CH3])CNC(=O)C 34a_100000046322_200025704644 [0,0,0,0,0,0|2,0,0]=2 65 B15R1.12854 COc1cc(ccc1O[13CH3])CNC(=O)C 7a_100000046322_200025704644 [0,0,0,0,0,0|2,0,0]=2 66 B15R1.12854 COc1cc(ccc1SC)SCC(=O)N 62a_200011001119_100000747473 [0,0,0,0,0,0|2,1,0]=3 67 B15R1.12854 COc1cc(ccc1SC)SCC(=O)[O-] 62a_200011001119_100020667443 [0,0,0,0,0,0|1,1,1]=3 68 B15R1.12854 COc1cc(ccc1SC)SCC(C)O 62a_200011001119_100011218427 [0,0,0,0,0,0|2,1,1]=4 69 B15R1.12854 COc1cc(ccc1SC)SC[C@@H](C)O 62a_200011001119_100009817552 [0,0,0,0,0,0|2,1,1]=4 70 B15R1.12854 COc1cc(ccc1SC)SC[N+](=O)[O-] 62a_200011001119_100000761209 [0,0,0,0,0,0|2,1,1]=4 71 B15R1.12854 COc1cc(cnc1OC)SCC(=O)N 62a_100000747473_100010234541 [0,0,0,0,0,0|3,0,0]=3 72 B15R1.12854 COc1cc(cnc1OC)SCC(=O)[O-] 62a_100020667443_100010234541 [0,0,0,0,0,0|2,0,1]=3 73 B15R1.12854 COc1cc(cnc1OC)SCC(C)O 62a_100011218427_100010234541 [0,0,0,0,0,0|3,0,1]=4 74 B15R1.12854 COc1cc(cnc1OC)SC[C@@H](C)O 62a_100009817552_100010234541 [0,0,0,0,0,0|3,0,1]=4 75 B15R1.12854 COc1cc(nnc1OC)SCC(=O)N 62a_100000747473_200000095610 [0,0,0,0,0,0|4,0,0]=4 76 B15R1.12854 COc1cc(nnc1OC)SCC(=O)[O-] 62a_100020667443_200000095610 [0,0,0,0,0,0|3,0,1]=4 77 B15R1.12854 COc1ccc(cc1C#N)NCC(=O)N 34a_100011204338_100000187820 [0,0,0,0,0,0|4,0,0]=4 78 B15R1.12854 COc1ccc(cc1C#N)NCC(=O)N 7a_100011204338_100000187820 [0,0,0,0,0,0|4,0,0]=4 79 B15R1.12854 COc1ccc(cc1C#N)NCC(=O)[O-] 34a_100011204338_100020667443 [0,0,0,0,0,0|3,0,1]=4 80 B15R1.12854 COc1ccc(cc1C#N)SCC(=O)N 62a_100000747473_100000188252 [0,0,0,0,0,0|4,0,0]=4 81 B15R1.12854 COc1ccc(cc1C#N)SCC(=O)[O-] 62a_100020667443_100000188252 [0,0,0,0,0,0|3,0,1]=4 82 B15R1.12854 COc1ccc(cc1C=O)SCC(=O)N 62a_100000170026_100000747473 [0,0,0,0,0,0|4,0,0]=4 83 B15R1.12854 COc1ccc(cc1C=O)SCC(=O)N 62a_100000747473_100000170026 [0,0,0,0,0,0|4,0,0]=4 84 B15R1.12854 COc1ccc(cc1C=O)SCC(=O)[O-] 62a_100000170026_100020667443 [0,0,0,0,0,0|3,0,1]=4 85 B15R1.12854 COc1ccc(cc1C=O)SCC(=O)[O-] 62a_100020667443_100000170026 [0,0,0,0,0,0|3,0,1]=4 86 B15R1.12854 COc1ccc(cc1CN)SCC(=O)N 62a_100000690498_100000747473 [0,0,0,0,0,0|4,0,0]=4 87 B15R1.12854 COc1ccc(cc1CN)SCC(=O)N 62a_100000747473_100000690498 [0,0,0,0,0,0|4,0,0]=4 88 B15R1.12854 COc1ccc(cc1CN)SCC(=O)[O-] 62a_100000690498_100020667443 [0,0,0,0,0,0|3,0,1]=4 89 B15R1.12854 COc1ccc(cc1CN)SCC(=O)[O-] 62a_100020667443_100000690498 [0,0,0,0,0,0|3,0,1]=4 90 B15R1.12854 COc1ccc(cc1CO)SCC(=O)N 62a_100000204679_100000747473 [0,0,0,0,0,0|4,0,0]=4 91 B15R1.12854 COc1ccc(cc1CO)SCC(=O)N 62a_100000747473_100000204679 [0,0,0,0,0,0|4,0,0]=4 92 B15R1.12854 COc1ccc(cc1CO)SCC(=O)[O-] 62a_100000204679_100020667443 [0,0,0,0,0,0|3,0,1]=4 93 B15R1.12854 COc1ccc(cc1CO)SCC(=O)[O-] 62a_100020667443_100000204679 [0,0,0,0,0,0|3,0,1]=4 94 B15R1.12854 COc1ccc(cc1OC)/C=C/C(=O)C 34a_100102526088_200000210301 [0,0,0,0,0,0|1,0,2]=3 95 B15R1.12854 COc1ccc(cc1OC)/C=C/[N+](=O)[O-] 34a_100016278493_200000210301 [0,0,0,0,0,0|1,0,3]=4 96 B15R1.12854 COc1ccc(cc1OC)C=CC(=O)C 1458a_100015194992_200000210301 [0,0,0,0,0,0|1,0,2]=3 97 B15R1.12854 COc1ccc(cc1OC)C=CC(=O)[13CH3] 1458a_100015194992_200025704644 [0,0,0,0,0,0|1,0,2]=3 98 B15R1.12854 COc1ccc(cc1OC)C=CC(C)O 271570a_200011019289_100000187503 [0,0,0,0,0,0|1,0,3]=4 99 B15R1.12854 COc1ccc(cc1OC)C=C[N+](=O)[O-] 34a_200103042931_200000210301 [0,0,0,0,0,0|1,0,3]=4 100 B15R1.12854 COc1ccc(cc1OC)CCC(=O)C 1458a_100000070787_100011740610 [0,0,0,0,0,0|1,0,0]=1 101 B15R1.12854 COc1ccc(cc1OC)CCC(=O)C 1458a_100000187252_200000210301 [0,0,0,0,0,0|1,0,0]=1 102 B15R1.12854 COc1ccc(cc1OC)CCC(=O)C 34a_100011290831_200000210301 [0,0,0,0,0,0|1,0,0]=1 103 B15R1.12854 COc1ccc(cc1OC)CCC(=O)C 7a_100011290831_200000210301 [0,0,0,0,0,0|1,0,0]=1 104 B15R1.12854 COc1ccc(cc1OC)CCC(=O)[13CH3] 1458a_100000187252_200025704644 [0,0,0,0,0,0|1,0,0]=1 105 B15R1.12854 COc1ccc(cc1OC)CCN(C)C 2230a_100000211294_200000210301 [0,0,0,0,0,0|3,0,0]=3 106 B15R1.12854 COc1ccc(cc1OC)CCN(C)C 2230a_100102631434_100011273988 [0,0,0,0,0,0|3,0,0]=3 107 B15R1.12854 COc1ccc(cc1OC)CCN(C)C 269982a_100000211294_200000210301 [0,0,0,0,0,0|3,0,0]=3 108 B15R1.12854 COc1ccc(cc1OC)CCN(C)C 269982a_100102631434_100011273988 [0,0,0,0,0,0|3,0,0]=3 109 B15R1.12854 COc1ccc(cc1OC)CCN(C)C 270004a_100102631434_100011754369 [0,0,0,0,0,0|3,0,0]=3 110 B15R1.12854 COc1ccc(cc1OC)CCN(C)[13CH3] 2230a_100000211294_200025704644 [0,0,0,0,0,0|3,0,0]=3 111 B15R1.12854 COc1ccc(cc1OC)CCN(C)[13CH3] 269982a_100000211294_200025704644 [0,0,0,0,0,0|3,0,0]=3 112 B15R1.12854 COc1ccc(cc1OC)CC[N+](=O)[O-] 34a_100000080128_200000210301 [0,0,0,0,0,0|1,0,1]=2 113 B15R1.12854 COc1ccc(cc1OC)CC[N+](=O)[O-] 34a_200000077489_200000210301 [0,0,0,0,0,0|1,0,1]=2 114 B15R1.12854 COc1ccc(cc1OC)CC[N+](=O)[O-] 7a_100000080128_200000210301 [0,0,0,0,0,0|1,0,1]=2 115 B15R1.12854 COc1ccc(cc1OC)CC[N+](=O)[O-] 7a_200000077489_200000210301 [0,0,0,0,0,0|1,0,1]=2 116 B15R1.12854 COc1ccc(cc1OC)CNC(=O)C 11a_100000185555_100015343762 [0,0,0,0,0,0|2,0,0]=2 117 B15R1.12854 COc1ccc(cc1OC)CNC(=O)C 1626a_100000185555_100015343762 [0,0,0,0,0,0|2,0,0]=2 118 B15R1.12854 COc1ccc(cc1OC)CNC(=O)C 240690a_100000185555_100015343762 [0,0,0,0,0,0|2,0,0]=2 119 B15R1.12854 COc1ccc(cc1OC)CNC(=O)C 34a_100000046322_200000210301 [0,0,0,0,0,0|2,0,0]=2 120 B15R1.12854 COc1ccc(cc1OC)CNC(=O)C 527a_100000185555_100103153847 [0,0,0,0,0,0|2,0,0]=2 121 B15R1.12854 COc1ccc(cc1OC)CNC(=O)C 7a_100000046322_200000210301 [0,0,0,0,0,0|2,0,0]=2 122 B15R1.12854 COc1ccc(cc1OC)CNC(C)C 207a_100138425928_100000170513 [0,0,0,0,0,0|3,0,1]=4 123 B15R1.12854 COc1ccc(cc1OC)CNC(C)C 2230a_100138425928_100011233839 [0,0,0,0,0,0|3,0,1]=4 124 B15R1.12854 COc1ccc(cc1OC)CNC(C)C 34a_100000185555_100000210206 [0,0,0,0,0,0|3,0,1]=4 125 B15R1.12854 COc1ccc(cc1OC)COC(C)C 34a_100000210929_100000210206 [0,0,0,0,0,0|3,0,1]=4 126 B15R1.12854 COc1ccc(cc1OC)CSC(C)C 62a_100000210206_100011233839 [0,0,0,0,0,0|3,0,1]=4 127 B15R1.12854 COc1ccc(cc1OC)NCC(=O)N 34a_100000187404_100000187820 [0,0,0,0,0,0|2,0,0]=2 128 B15R1.12854 COc1ccc(cc1OC)NCC(=O)[O-] 34a_100000187404_100020667443 [0,0,0,0,0,0|1,0,1]=2 129 B15R1.12854 COc1ccc(cc1OC)NCC(C)C 34a_100000187404_100000210624 [0,0,0,0,0,0|3,0,1]=4 130 B15R1.12854 COc1ccc(cc1OC)NCC(C)O 34a_100000187404_100011218427 [0,0,0,0,0,0|2,0,1]=3 131 B15R1.12854 COc1ccc(cc1OC)NCC(F)F 34a_100000187404_100011934356 [0,0,0,0,0,0|3,0,1]=4 132 B15R1.12854 COc1ccc(cc1OC)NC[C@@H](C)O 34a_100000187404_100009817552 [0,0,0,0,0,0|2,0,1]=3 133 B15R1.12854 COc1ccc(cc1OC)NC[N+](=O)[O-] 34a_100000187404_100000761209 [0,0,0,0,0,0|2,0,1]=3 134 B15R1.12854 COc1ccc(cc1OC)OCC(=O)N 34a_100000039706_100000187820 [0,0,0,0,0,0|2,0,0]=2 135 B15R1.12854 COc1ccc(cc1OC)OCC(=O)[O-] 34a_100000039706_100020667443 [0,0,0,0,0,0|1,0,1]=2 136 B15R1.12854 COc1ccc(cc1OC)OCC(C)C 34a_100000039706_100000210624 [0,0,0,0,0,0|3,0,1]=4 137 B15R1.12854 COc1ccc(cc1OC)OCC(C)O 34a_100000039706_100011218427 [0,0,0,0,0,0|2,0,1]=3 138 B15R1.12854 COc1ccc(cc1OC)OCC(F)F 34a_100000039706_100011934356 [0,0,0,0,0,0|3,0,1]=4 139 B15R1.12854 COc1ccc(cc1OC)OC[C@@H](C)O 34a_100000039706_100009817552 [0,0,0,0,0,0|2,0,1]=3 140 B15R1.12854 COc1ccc(cc1OC)OC[N+](=O)[O-] 34a_100000039706_100000761209 [0,0,0,0,0,0|2,0,1]=3 141 B15R1.12854 COc1ccc(cc1OC)SCC(=O)N 62a_100000747473_100011356967 [0,0,0,0,0,0|2,0,0]=2 142 B15R1.12854 COc1ccc(cc1OC)SCC(=O)[O-] 62a_100020667443_100011356967 [0,0,0,0,0,0|1,0,1]=2 143 B15R1.12854 COc1ccc(cc1OC)SCC(C)C 62a_100000210624_100011356967 [0,0,0,0,0,0|3,0,1]=4 144 B15R1.12854 COc1ccc(cc1OC)SCC(C)O 62a_100011218427_100011356967 [0,0,0,0,0,0|2,0,1]=3 145 B15R1.12854 COc1ccc(cc1OC)SCC(F)F 62a_100011934356_100011356967 [0,0,0,0,0,0|3,0,1]=4 146 B15R1.12854 COc1ccc(cc1OC)SC[C@@H](C)O 62a_100009817552_100011356967 [0,0,0,0,0,0|2,0,1]=3 147 B15R1.12854 COc1ccc(cc1O[13CH3])/C=C/[N+](=O)[O-] 34a_100016278493_200025704644 [0,0,0,0,0,0|1,0,3]=4 148 B15R1.12854 COc1ccc(cc1O[13CH3])CC[N+](=O)[O-] 34a_200000077489_200025704644 [0,0,0,0,0,0|1,0,1]=2 149 B15R1.12854 COc1ccc(cc1O[13CH3])CC[N+](=O)[O-] 7a_200000077489_200025704644 [0,0,0,0,0,0|1,0,1]=2 150 B15R1.12854 COc1ccc(cc1SC)/C=C/C(=O)C 62a_200000210301_200016254069 [0,0,0,0,0,0|1,1,2]=4 151 B15R1.12854 COc1ccc(cc1SC)/C=C/C(=O)C 62a_200016254069_200000210301 [0,0,0,0,0,0|1,1,2]=4 152 B15R1.12854 COc1ccc(cc1SC)SCC(=O)N 62a_200009892704_100000747473 [0,0,0,0,0,0|2,1,0]=3 153 B15R1.12854 COc1ccc(cc1SC)SCC(=O)[O-] 62a_200009892704_100020667443 [0,0,0,0,0,0|1,1,1]=3 154 B15R1.12854 COc1ccc(cc1SC)SCC(C)O 62a_200009892704_100011218427 [0,0,0,0,0,0|2,1,1]=4 155 B15R1.12854 COc1ccc(cc1SC)SC[C@@H](C)O 62a_200009892704_100009817552 [0,0,0,0,0,0|2,1,1]=4 156 B15R1.12854 COc1ccc(cc1SC)SC[N+](=O)[O-] 62a_200009892704_100000761209 [0,0,0,0,0,0|2,1,1]=4 157 B15R1.12854 COc1ccc(cc1S[13CH3])/C=C/C(=O)C 62a_200016254069_200025704644 [0,0,0,0,0,0|1,1,2]=4 158 B15R1.12854 COc1ccc(cc1S[13CH3])/C=C/C(=O)C 62a_200025704644_200016254069 [0,0,0,0,0,0|1,1,2]=4 159 B15R1.12854 COc1ccc(nc1OC)SCC(=O)N 62a_100000747473_100010214848 [0,0,0,0,0,0|3,0,0]=3 160 B15R1.12854 COc1ccc(nc1OC)SCC(=O)[O-] 62a_100020667443_100010214848 [0,0,0,0,0,0|2,0,1]=3 161 B15R1.12854 COc1ccc(nc1OC)SCC(C)O 62a_100011218427_100010214848 [0,0,0,0,0,0|3,0,1]=4 162 B15R1.12854 COc1ccc(nc1OC)SC[C@@H](C)O 62a_100009817552_100010214848 [0,0,0,0,0,0|3,0,1]=4 163 B15R1.12854 COc1cnc(nc1OC)SCC(=O)N 62a_100000747473_100010280452 [0,0,0,0,0,0|4,0,0]=4 164 B15R1.12854 COc1cnc(nc1OC)SCC(=O)[O-] 62a_100020667443_100010280452 [0,0,0,0,0,0|3,0,1]=4 165 B15R1.12854 COc1ncc(nc1OC)SCC(=O)N 62a_100000747473_100010132954 [0,0,0,0,0,0|4,0,0]=4 166 B15R1.12854 COc1ncc(nc1OC)SCC(=O)N 62a_100010132954_100000747473 [0,0,0,0,0,0|4,0,0]=4 167 B15R1.12854 COc1ncc(nc1OC)SCC(=O)[O-] 62a_100010132954_100020667443 [0,0,0,0,0,0|3,0,1]=4 168 B15R1.12854 COc1ncc(nc1OC)SCC(=O)[O-] 62a_100020667443_100010132954 [0,0,0,0,0,0|3,0,1]=4 169 B14R1.42 C=C(C)CNc1ccc(c(c1)OC)C 2230a_100011279678_100000748629 [1,0,0,0,0,0|3,0,0]=4 170 B14R1.42 C=C(C)CNc1ccc(c(c1)OC)C 34a_100011279678_100000748629 [1,0,0,0,0,0|3,0,0]=4 171 B14R1.42 C=C(C)CNc1ccc(c(c1)OC)O 34a_100000726020_100000748629 [1,0,0,0,0,0|3,0,0]=4 172 B14R1.42 C=C(C)COc1ccc(c(c1)OC)C 34a_100009865632_100000748629 [1,0,0,0,0,0|3,0,0]=4 173 B14R1.42 C=C(C)COc1ccc(c(c1)OC)C 7a_100009865632_100000748629 [1,0,0,0,0,0|3,0,0]=4 174 B14R1.42 C=C(C)CSc1ccc(c(c1)OC)C 62a_100000748629_100011830276 [1,0,0,0,0,0|3,0,0]=4 175 B14R1.42 C=C(C)CSc1ccc(c(c1)OC)C 62a_100011830276_100000211660 [1,0,0,0,0,0|3,0,0]=4 176 B14R1.42 C=C(C)CSc1ccc(c(c1)OC)O 62a_100000748629_100000694246 [1,0,0,0,0,0|3,0,0]=4 177 B14R1.42 C=C(F)CNc1ccc(c(c1)OC)C 2230a_100011279678_100009893438 [1,0,0,0,0,0|3,0,0]=4 178 B14R1.42 C=C(F)CNc1ccc(c(c1)OC)C 34a_100011279678_100009893438 [1,0,0,0,0,0|3,0,0]=4 179 B14R1.42 C=C(F)CNc1ccc(c(c1)OC)O 34a_100000726020_100009893438 [1,0,0,0,0,0|3,0,0]=4 180 B14R1.42 C=C(F)COc1ccc(c(c1)OC)C 34a_100009865632_100009893438 [1,0,0,0,0,0|3,0,0]=4 181 B14R1.42 C=C(F)COc1ccc(c(c1)OC)C 7a_100009865632_100000042424 [1,0,0,0,0,0|3,0,0]=4 182 B14R1.42 C=C(F)CSc1ccc(c(c1)OC)C 62a_100000042424_100011830276 [1,0,0,0,0,0|3,0,0]=4 183 B14R1.42 C=C(F)CSc1ccc(c(c1)OC)C 62a_100011830276_100000042424 [1,0,0,0,0,0|3,0,0]=4 184 B14R1.42 C=C(F)CSc1ccc(c(c1)OC)O 62a_100000042424_100000694246 [1,0,0,0,0,0|3,0,0]=4 185 B14R1.42 CCc1cc(ccc1O)SCC(=O)N 62a_100000747473_100012338938 [1,0,0,0,0,0|3,0,0]=4 186 B14R1.42 CCc1cc(ccc1O)SCC(=O)[O-] 62a_100020667443_100012338938 [1,0,0,0,0,0|2,0,1]=4 187 B14R1.42 CNc1cc(ccc1C)SCC(=O)N 62a_100000747473_100020629602 [1,0,0,0,0,0|3,0,0]=4 188 B14R1.42 CNc1cc(ccc1C)SCC(=O)N 62a_100020629602_100000747473 [1,0,0,0,0,0|3,0,0]=4 189 B14R1.42 CNc1cc(ccc1C)SCC(=O)[O-] 62a_100020629602_100020667443 [1,0,0,0,0,0|2,0,1]=4 190 B14R1.42 CNc1cc(ccc1C)SCC(=O)[O-] 62a_100020667443_100020629602 [1,0,0,0,0,0|2,0,1]=4 191 B14R1.42 COc1cc(ccc1Br)NCC(=O)N 2230a_100000765947_100000747473 [1,0,0,0,0,0|3,0,0]=4 192 B14R1.42 COc1cc(ccc1Br)NCC(=O)N 34a_100000765947_100000187820 [1,0,0,0,0,0|3,0,0]=4 193 B14R1.42 COc1cc(ccc1Br)NCC(=O)[O-] 34a_100000765947_100020667443 [1,0,0,0,0,0|2,0,1]=4 194 B14R1.42 COc1cc(ccc1Br)OCC(=O)N 34a_100011827694_100000187820 [1,0,0,0,0,0|3,0,0]=4 195 B14R1.42 COc1cc(ccc1Br)OCC(=O)N 7a_100011827694_100000187820 [1,0,0,0,0,0|3,0,0]=4 196 B14R1.42 COc1cc(ccc1Br)OCC(=O)[O-] 34a_100011827694_100020667443 [1,0,0,0,0,0|2,0,1]=4 197 B14R1.42 COc1cc(ccc1Br)SCC(=O)N 62a_100000747473_100012353699 [1,0,0,0,0,0|3,0,0]=4 198 B14R1.42 COc1cc(ccc1Br)SCC(=O)N 62a_100012353699_100000747473 [1,0,0,0,0,0|3,0,0]=4 199 B14R1.42 COc1cc(ccc1Br)SCC(=O)[O-] 62a_100012353699_100020667443 [1,0,0,0,0,0|2,0,1]=4 200 B14R1.42 COc1cc(ccc1Br)SCC(=O)[O-] 62a_100020667443_100012353699 [1,0,0,0,0,0|2,0,1]=4 201 B14R1.42 COc1cc(ccc1C)CCC(=O)C 1458a_200000066385_200000210301 [1,0,0,0,0,0|1,0,0]=2 202 B14R1.42 COc1cc(ccc1C)CCC(=O)[13CH3] 1458a_200000066385_200025704644 [1,0,0,0,0,0|1,0,0]=2 203 B14R1.42 COc1cc(ccc1C)NCC(=O)N 2230a_100011279678_100000747473 [1,0,0,0,0,0|2,0,0]=3 204 B14R1.42 COc1cc(ccc1C)NCC(=O)N 34a_100011279678_100000187820 [1,0,0,0,0,0|2,0,0]=3 205 B14R1.42 COc1cc(ccc1C)NCC(=O)[O-] 34a_100011279678_100020667443 [1,0,0,0,0,0|1,0,1]=3 206 B14R1.42 COc1cc(ccc1C)NCC(C)O 2230a_100011279678_100011218427 [1,0,0,0,0,0|2,0,1]=4 207 B14R1.42 COc1cc(ccc1C)NCC(C)O 34a_100011279678_100011218427 [1,0,0,0,0,0|2,0,1]=4 208 B14R1.42 COc1cc(ccc1C)NC[C@@H](C)O 2230a_100011279678_100009817552 [1,0,0,0,0,0|2,0,1]=4 209 B14R1.42 COc1cc(ccc1C)NC[C@@H](C)O 34a_100011279678_100009817552 [1,0,0,0,0,0|2,0,1]=4 210 B14R1.42 COc1cc(ccc1C)NC[N+](=O)[O-] 34a_100011279678_100000761209 [1,0,0,0,0,0|2,0,1]=4 211 B14R1.42 COc1cc(ccc1C)OCC(=O)N 34a_100009865632_100000187820 [1,0,0,0,0,0|2,0,0]=3 212 B14R1.42 COc1cc(ccc1C)OCC(=O)N 7a_100009865632_100000187820 [1,0,0,0,0,0|2,0,0]=3 213 B14R1.42 COc1cc(ccc1C)OCC(=O)[O-] 34a_100009865632_100020667443 [1,0,0,0,0,0|1,0,1]=3 214 B14R1.42 COc1cc(ccc1C)OCC(C)O 34a_100009865632_100011218427 [1,0,0,0,0,0|2,0,1]=4 215 B14R1.42 COc1cc(ccc1C)OCC(C)O 7a_100009865632_100011218427 [1,0,0,0,0,0|2,0,1]=4 216 B14R1.42 COc1cc(ccc1C)OC[C@@H](C)O 34a_100009865632_100009817552 [1,0,0,0,0,0|2,0,1]=4 217 B14R1.42 COc1cc(ccc1C)OC[C@@H](C)O 7a_100009865632_100009817552 [1,0,0,0,0,0|2,0,1]=4 218 B14R1.42 COc1cc(ccc1C)OC[N+](=O)[O-] 34a_100009865632_100000761209 [1,0,0,0,0,0|2,0,1]=4 219 B14R1.42 COc1cc(ccc1C)SCC(=O)N 62a_100000747473_100011830276 [1,0,0,0,0,0|2,0,0]=3 220 B14R1.42 COc1cc(ccc1C)SCC(=O)N 62a_100011830276_100000747473 [1,0,0,0,0,0|2,0,0]=3 221 B14R1.42 COc1cc(ccc1C)SCC(=O)[O-] 62a_100011830276_100020667443 [1,0,0,0,0,0|1,0,1]=3 222 B14R1.42 COc1cc(ccc1C)SCC(=O)[O-] 62a_100020667443_100011830276 [1,0,0,0,0,0|1,0,1]=3 223 B14R1.42 COc1cc(ccc1C)SCC(C)O 62a_100011218427_100011830276 [1,0,0,0,0,0|2,0,1]=4 224 B14R1.42 COc1cc(ccc1C)SCC(C)O 62a_100011830276_100011218427 [1,0,0,0,0,0|2,0,1]=4 225 B14R1.42 COc1cc(ccc1C)SC[C@@H](C)O 62a_100009817552_100011830276 [1,0,0,0,0,0|2,0,1]=4 226 B14R1.42 COc1cc(ccc1C)SC[C@@H](C)O 62a_100011830276_100009817552 [1,0,0,0,0,0|2,0,1]=4 227 B14R1.42 COc1cc(ccc1C)SC[N+](=O)[O-] 62a_100011830276_100000761209 [1,0,0,0,0,0|2,0,1]=4 228 B14R1.42 COc1cc(ccc1Cl)CNC(=O)C 11a_100015204853_100015343762 [1,0,0,0,0,0|3,0,0]=4 229 B14R1.42 COc1cc(ccc1Cl)CNC(=O)C 1626a_100015204853_100015343762 [1,0,0,0,0,0|3,0,0]=4 230 B14R1.42 COc1cc(ccc1Cl)CNC(=O)C 240690a_100015204853_100015343762 [1,0,0,0,0,0|3,0,0]=4 231 B14R1.42 COc1cc(ccc1Cl)CNC(=O)C 527a_100015204853_100103153847 [1,0,0,0,0,0|3,0,0]=4 232 B14R1.42 COc1cc(ccc1Cl)NCC(=O)N 2230a_100000742311_100000747473 [1,0,0,0,0,0|3,0,0]=4 233 B14R1.42 COc1cc(ccc1Cl)NCC(=O)N 34a_100000742311_100000187820 [1,0,0,0,0,0|3,0,0]=4 234 B14R1.42 COc1cc(ccc1Cl)NCC(=O)[O-] 34a_100000742311_100020667443 [1,0,0,0,0,0|2,0,1]=4 235 B14R1.42 COc1cc(ccc1Cl)OCC(=O)N 34a_100012186310_100000187820 [1,0,0,0,0,0|3,0,0]=4 236 B14R1.42 COc1cc(ccc1Cl)OCC(=O)N 7a_100012186310_100000187820 [1,0,0,0,0,0|3,0,0]=4 237 B14R1.42 COc1cc(ccc1Cl)OCC(=O)[O-] 34a_100012186310_100020667443 [1,0,0,0,0,0|2,0,1]=4 238 B14R1.42 COc1cc(ccc1Cl)SCC(=O)N 62a_100000747473_100011356853 [1,0,0,0,0,0|3,0,0]=4 239 B14R1.42 COc1cc(ccc1Cl)SCC(=O)N 62a_100011356853_100000747473 [1,0,0,0,0,0|3,0,0]=4 240 B14R1.42 COc1cc(ccc1Cl)SCC(=O)[O-] 62a_100011356853_100020667443 [1,0,0,0,0,0|2,0,1]=4 241 B14R1.42 COc1cc(ccc1Cl)SCC(=O)[O-] 62a_100020667443_100011356853 [1,0,0,0,0,0|2,0,1]=4 242 B14R1.42 COc1cc(ccc1F)CCC(=O)C 1458a_100009849056_200000210301 [1,0,0,0,0,0|2,0,0]=3 243 B14R1.42 COc1cc(ccc1F)CCC(=O)[13CH3] 1458a_100009849056_200025704644 [1,0,0,0,0,0|2,0,0]=3 244 B14R1.42 COc1cc(ccc1F)CNC(=O)C 11a_100020626639_100015343762 [1,0,0,0,0,0|3,0,0]=4 245 B14R1.42 COc1cc(ccc1F)CNC(=O)C 1626a_100020626639_100015343762 [1,0,0,0,0,0|3,0,0]=4 246 B14R1.42 COc1cc(ccc1F)CNC(=O)C 240690a_100020626639_100015343762 [1,0,0,0,0,0|3,0,0]=4 247 B14R1.42 COc1cc(ccc1F)CNC(=O)C 527a_100020626639_100103153847 [1,0,0,0,0,0|3,0,0]=4 248 B14R1.42 COc1cc(ccc1F)NCC(=O)N 2230a_100000701188_100000747473 [1,0,0,0,0,0|3,0,0]=4 249 B14R1.42 COc1cc(ccc1F)NCC(=O)N 34a_100000701188_100000187820 [1,0,0,0,0,0|3,0,0]=4 250 B14R1.42 COc1cc(ccc1F)NCC(=O)[O-] 34a_100000701188_100020667443 [1,0,0,0,0,0|2,0,1]=4 251 B14R1.42 COc1cc(ccc1F)OCC(=O)N 34a_100012001760_100000187820 [1,0,0,0,0,0|3,0,0]=4 252 B14R1.42 COc1cc(ccc1F)OCC(=O)N 7a_100012001760_100000187820 [1,0,0,0,0,0|3,0,0]=4 253 B14R1.42 COc1cc(ccc1F)OCC(=O)[O-] 34a_100012001760_100020667443 [1,0,0,0,0,0|2,0,1]=4 254 B14R1.42 COc1cc(ccc1F)SCC(=O)N 62a_100000747473_100011934186 [1,0,0,0,0,0|3,0,0]=4 255 B14R1.42 COc1cc(ccc1F)SCC(=O)N 62a_100011934186_100000747473 [1,0,0,0,0,0|3,0,0]=4 256 B14R1.42 COc1cc(ccc1F)SCC(=O)[O-] 62a_100011934186_100020667443 [1,0,0,0,0,0|2,0,1]=4 257 B14R1.42 COc1cc(ccc1F)SCC(=O)[O-] 62a_100020667443_100011934186 [1,0,0,0,0,0|2,0,1]=4 258 B14R1.42 COc1cc(ccc1I)NCC(=O)N 34a_100000746945_100000187820 [1,0,0,0,0,0|3,0,0]=4 259 B14R1.42 COc1cc(ccc1I)NCC(=O)[O-] 34a_100000746945_100020667443 [1,0,0,0,0,0|2,0,1]=4 260 B14R1.42 COc1cc(ccc1N)OCC(=O)N 34a_100015326901_100000187820 [1,0,0,0,0,0|3,0,0]=4 261 B14R1.42 COc1cc(ccc1N)OCC(=O)N 7a_100015326901_100000187820 [1,0,0,0,0,0|3,0,0]=4 262 B14R1.42 COc1cc(ccc1N)OCC(=O)[O-] 34a_100015326901_100020667443 [1,0,0,0,0,0|2,0,1]=4 263 B14R1.42 COc1cc(ccc1N)SCC(=O)N 62a_100000747473_100015196925 [1,0,0,0,0,0|3,0,0]=4 264 B14R1.42 COc1cc(ccc1N)SCC(=O)N 62a_100011279103_100000747473 [1,0,0,0,0,0|3,0,0]=4 265 B14R1.42 COc1cc(ccc1N)SCC(=O)[O-] 62a_100011279103_100020667443 [1,0,0,0,0,0|2,0,1]=4 266 B14R1.42 COc1cc(ccc1N)SCC(=O)[O-] 62a_100020667443_100015196925 [1,0,0,0,0,0|2,0,1]=4 267 B14R1.42 COc1cc(ccc1O)C=CC(=O)C 1458a_100000182119_200000210301 [1,0,0,0,0,0|1,0,2]=4 268 B14R1.42 COc1cc(ccc1O)C=CC(=O)[13CH3] 1458a_100000182119_200025704644 [1,0,0,0,0,0|1,0,2]=4 269 B14R1.42 COc1cc(ccc1O)CCC(=O)C 1458a_100000070787_100010741665 [1,0,0,0,0,0|1,0,0]=2 270 B14R1.42 COc1cc(ccc1O)CCC(=O)C 1458a_100011216321_200000210301 [1,0,0,0,0,0|1,0,0]=2 271 B14R1.42 COc1cc(ccc1O)CCC(=O)[13CH3] 1458a_100011216321_200025704644 [1,0,0,0,0,0|1,0,0]=2 272 B14R1.42 COc1cc(ccc1O)CCN(C)C 2230a_100102631434_100010741665 [1,0,0,0,0,0|3,0,0]=4 273 B14R1.42 COc1cc(ccc1O)CCN(C)C 269982a_100102631434_100010741665 [1,0,0,0,0,0|3,0,0]=4 274 B14R1.42 COc1cc(ccc1O)CNC(=O)C 11a_100000185554_100015343762 [1,0,0,0,0,0|2,0,0]=3 275 B14R1.42 COc1cc(ccc1O)CNC(=O)C 240690a_100000185554_100015343762 [1,0,0,0,0,0|2,0,0]=3 276 B14R1.42 COc1cc(ccc1O)CNC(=O)C 527a_100000185554_100103153847 [1,0,0,0,0,0|2,0,0]=3 277 B14R1.42 COc1cc(ccc1O)NCC(=O)N 34a_100000726020_100000187820 [1,0,0,0,0,0|2,0,0]=3 278 B14R1.42 COc1cc(ccc1O)NCC(=O)[O-] 34a_100000726020_100020667443 [1,0,0,0,0,0|1,0,1]=3 279 B14R1.42 COc1cc(ccc1O)NCC(C)O 34a_100000726020_100011218427 [1,0,0,0,0,0|2,0,1]=4 280 B14R1.42 COc1cc(ccc1O)NC[C@@H](C)O 34a_100000726020_100009817552 [1,0,0,0,0,0|2,0,1]=4 281 B14R1.42 COc1cc(ccc1O)NC[N+](=O)[O-] 34a_100000726020_100000761209 [1,0,0,0,0,0|2,0,1]=4 282 B14R1.42 COc1cc(ccc1O)SCC(=O)N 62a_100000747473_100000694246 [1,0,0,0,0,0|2,0,0]=3 283 B14R1.42 COc1cc(ccc1O)SCC(=O)[O-] 62a_100020667443_100000694246 [1,0,0,0,0,0|1,0,1]=3 284 B14R1.42 COc1cc(ccc1O)SCC(C)O 62a_100011218427_100000694246 [1,0,0,0,0,0|2,0,1]=4 285 B14R1.42 COc1cc(ccc1O)SC[C@@H](C)O 62a_100009817552_100000694246 [1,0,0,0,0,0|2,0,1]=4 286 B14R1.42 COc1cc(cnc1C)SCC(=O)N 62a_100000747473_100010254219 [1,0,0,0,0,0|3,0,0]=4 287 B14R1.42 COc1cc(cnc1C)SCC(=O)N 62a_100010254219_100000747473 [1,0,0,0,0,0|3,0,0]=4 288 B14R1.42 COc1cc(cnc1C)SCC(=O)[O-] 62a_100010254219_100020667443 [1,0,0,0,0,0|2,0,1]=4 289 B14R1.42 COc1cc(cnc1C)SCC(=O)[O-] 62a_100020667443_100010254219 [1,0,0,0,0,0|2,0,1]=4 290 B14R1.42 COc1cc(ncc1C)SCC(=O)N 62a_100000747473_100010067687 [1,0,0,0,0,0|3,0,0]=4 291 B14R1.42 COc1cc(ncc1C)SCC(=O)N 62a_100010067687_100000747473 [1,0,0,0,0,0|3,0,0]=4 292 B14R1.42 COc1cc(ncc1C)SCC(=O)[O-] 62a_100010067687_100020667443 [1,0,0,0,0,0|2,0,1]=4 293 B14R1.42 COc1cc(ncc1C)SCC(=O)[O-] 62a_100020667443_100010067687 [1,0,0,0,0,0|2,0,1]=4 294 B14R1.42 COc1nc(ccc1O)SCC(=O)N 62a_100000747473_100010893133 [1,0,0,0,0,0|3,0,0]=4 295 B14R1.42 COc1nc(ccc1O)SCC(=O)[O-] 62a_100020667443_100010893133 [1,0,0,0,0,0|2,0,1]=4 296 B14R1.793 C#CCNc1ccc(c(c1)OC)OC 34a_100000187404_100000184674 [1,0,0,0,0,0|2,0,1]=4 297 B14R1.793 C#CCOc1ccc(c(c1)OC)OC 34a_100000039706_100000184674 [1,0,0,0,0,0|2,0,1]=4 298 B14R1.793 C#CCSc1ccc(c(c1)OC)OC 62a_100000038162_100011356967 [1,0,0,0,0,0|2,0,1]=4 299 B14R1.793 C=CCNc1ccc(c(c1)OC)OC 34a_100000187404_100015514636 [1,0,0,0,0,0|2,0,0]=3 300 B14R1.793 C=CCOc1ccc(c(c1)OC)OC 34a_100000039706_100015514636 [1,0,0,0,0,0|2,0,0]=3 301 B14R1.793 C=CCSc1ccc(c(c1)CC)OC 62a_100000210623_200010179862 [1,0,0,0,0,0|3,0,0]=4 302 B14R1.793 C=CCSc1ccc(c(c1)CC)OC 62a_200010179862_100000210623 [1,0,0,0,0,0|3,0,0]=4 303 B14R1.793 C=CCSc1ccc(c(c1)OC)CC 62a_100000210623_200010710398 [1,0,0,0,0,0|3,0,0]=4 304 B14R1.793 C=CCSc1ccc(c(c1)OC)CC 62a_200010710398_100000210623 [1,0,0,0,0,0|3,0,0]=4 305 B14R1.793 C=CCSc1ccc(c(c1)OC)OC 62a_100000210623_100011356967 [1,0,0,0,0,0|2,0,0]=3 306 B14R1.793 C=CCSc1ccc(c(c1)OC)SC 62a_200011001119_100000210623 [1,0,0,0,0,0|2,1,0]=4 307 B14R1.793 C=CCSc1ccc(c(c1)SC)OC 62a_200009892704_100000210623 [1,0,0,0,0,0|2,1,0]=4 308 B14R1.793 C=CCSc1ccc(c(n1)OC)OC 62a_100000210623_100010214848 [1,0,0,0,0,0|3,0,0]=4 309 B14R1.793 C=CCSc1cnc(c(c1)OC)OC 62a_100000210623_100010234541 [1,0,0,0,0,0|3,0,0]=4 310 B14R1.793 CC=NNc1ccc(c(c1)OC)OC 4a_100000071703_200000210099 [1,0,0,0,0,0|3,0,0]=4 311 B14R1.793 CCCCc1ccc(c(c1)CC)OC 271570a_100020621405_200010179862 [1,0,0,0,0,0|2,0,1]=4 312 B14R1.793 CCCCc1ccc(c(c1)OC)CC 271570a_100020621405_200010710398 [1,0,0,0,0,0|2,0,1]=4 313 B14R1.793 CCCCc1ccc(c(c1)OC)OC 271570a_100020621405_100000187503 [1,0,0,0,0,0|1,0,1]=3 314 B14R1.793 CCCCc1ccc(c(c1)OC)SC 271570a_100020621405_200011001119 [1,0,0,0,0,0|1,1,1]=4 315 B14R1.793 CCCCc1ccc(c(c1)SC)OC 271570a_100020621405_200009892704 [1,0,0,0,0,0|1,1,1]=4 316 B14R1.793 CCCCc1ccc(c(n1)OC)OC 271570a_100020621405_100010214848 [1,0,0,0,0,0|2,0,1]=4 317 B14R1.793 CCCCc1cnc(c(c1)OC)OC 271570a_100020621405_100010234541 [1,0,0,0,0,0|2,0,1]=4 318 B14R1.793 CCCNc1ccc(c(c1)OC)OC 34a_100000187404_100000210303 [1,0,0,0,0,0|2,0,1]=4 319 B14R1.793 CCCOc1ccc(c(c1)OC)OC 34a_100000039706_100000210303 [1,0,0,0,0,0|2,0,1]=4 320 B14R1.793 CCCSc1ccc(c(c1)OC)OC 62a_100000210303_100011356967 [1,0,0,0,0,0|2,0,1]=4 321 B14R1.793 CCNCc1ccc(c(c1)OC)OC 207a_100015525214_100000170513 [1,0,0,0,0,0|2,0,1]=4 322 B14R1.793 CCNCc1ccc(c(c1)OC)OC 2230a_100015525214_100011233839 [1,0,0,0,0,0|2,0,1]=4 323 B14R1.793 CCNCc1ccc(c(c1)OC)OC 270004a_100015525214_100000170513 [1,0,0,0,0,0|2,0,1]=4 324 B14R1.793 CCNCc1ccc(c(c1)OC)OC 34a_100000185555_100000210202 [1,0,0,0,0,0|2,0,1]=4 325 B14R1.793 CCOCc1ccc(c(c1)OC)OC 34a_100000083705_200000210301 [1,0,0,0,0,0|2,0,1]=4 326 B14R1.793 CCOCc1ccc(c(c1)OC)OC 34a_100000210929_100000210202 [1,0,0,0,0,0|2,0,1]=4 327 B14R1.793 CCOCc1ccc(c(c1)OC)OC 7a_100000083705_200000210301 [1,0,0,0,0,0|2,0,1]=4 328 B14R1.793 CCOCc1ccc(c(c1)OC)O[13CH3] 34a_100000083705_200025704644 [1,0,0,0,0,0|2,0,1]=4 329 B14R1.793 CCOCc1ccc(c(c1)OC)O[13CH3] 7a_100000083705_200025704644 [1,0,0,0,0,0|2,0,1]=4 330 B14R1.793 CCSCc1ccc(c(c1)OC)OC 62a_100000210202_100011233839 [1,0,0,0,0,0|2,0,1]=4 331 B14R1.793 CCc1cc(ccc1OC)SCC=O 62a_200010179862_200015260668 [1,0,0,0,0,0|2,0,0]=3 332 B14R1.793 CCc1cc(ccc1OC)SCC=O 62a_200015260668_200010179862 [1,0,0,0,0,0|2,0,0]=3 333 B14R1.793 CCc1cc(ccc1OC)SCCO 62a_100000211926_200010179862 [1,0,0,0,0,0|2,0,1]=4 334 B14R1.793 CCc1cc(ccc1OC)SCCO 62a_200010179862_100000211926 [1,0,0,0,0,0|2,0,1]=4 335 B14R1.793 CCc1ccc(cc1OC)SCC=O 62a_200010710398_200015260668 [1,0,0,0,0,0|2,0,0]=3 336 B14R1.793 CCc1ccc(cc1OC)SCC=O 62a_200015260668_200010710398 [1,0,0,0,0,0|2,0,0]=3 337 B14R1.793 CCc1ccc(cc1OC)SCCO 62a_100000211926_200010710398 [1,0,0,0,0,0|2,0,1]=4 338 B14R1.793 CCc1ccc(cc1OC)SCCO 62a_200010710398_100000211926 [1,0,0,0,0,0|2,0,1]=4 339 B14R1.793 CNCCc1ccc(c(c1)OC)OC 2230a_100000210947_200000210301 [1,0,0,0,0,0|2,0,0]=3 340 B14R1.793 CNCCc1ccc(c(c1)OC)OC 2230a_106832991635_100011273988 [1,0,0,0,0,0|2,0,0]=3 341 B14R1.793 CNCCc1ccc(c(c1)OC)OC 270004a_106832991635_100011754369 [1,0,0,0,0,0|2,0,0]=3 342 B14R1.793 CNCCc1ccc(c(c1)OC)OC 34a_100000210947_200000210301 [1,0,0,0,0,0|2,0,0]=3 343 B14R1.793 CNCCc1ccc(c(c1)OC)OC 34a_100102657272_100011273988 [1,0,0,0,0,0|2,0,0]=3 344 B14R1.793 CNCCc1ccc(c(c1)OC)OC 7a_106832991635_100011740610 [1,0,0,0,0,0|2,0,0]=3 345 B14R1.793 COCCc1ccc(c(c1)OC)OC 34a_100011215274_200000210301 [1,0,0,0,0,0|2,0,0]=3 346 B14R1.793 COCCc1ccc(c(c1)OC)OC 34a_100138415774_100011273988 [1,0,0,0,0,0|2,0,0]=3 347 B14R1.793 COCSc1ccc(c(c1)OC)OC 62a_100000766300_100011356967 [1,0,0,0,0,0|3,0,0]=4 348 B14R1.793 COc1cc(ccc1C#N)NCC=O 34a_100011999456_200009817547 [1,0,0,0,0,0|3,0,0]=4 349 B14R1.793 COc1cc(ccc1C#N)SCC=O 62a_200015260668_100000694671 [1,0,0,0,0,0|3,0,0]=4 350 B14R1.793 COc1cc(ccc1C=O)SCC=O 62a_100000697075_200015260668 [1,0,0,0,0,0|3,0,0]=4 351 B14R1.793 COc1cc(ccc1C=O)SCC=O 62a_200015260668_100010290300 [1,0,0,0,0,0|3,0,0]=4 352 B14R1.793 COc1cc(ccc1CO)NCC=O 34a_100012183141_200009817547 [1,0,0,0,0,0|3,0,0]=4 353 B14R1.793 COc1cc(ccc1CO)OCC=O 34a_200000116926_200009817547 [1,0,0,0,0,0|3,0,0]=4 354 B14R1.793 COc1cc(ccc1CO)SCC=O 62a_100011277633_200015260668 [1,0,0,0,0,0|3,0,0]=4 355 B14R1.793 COc1cc(ccc1CO)SCC=O 62a_200015260668_100011277633 [1,0,0,0,0,0|3,0,0]=4 356 B14R1.793 COc1cc(ccc1O[13CH3])/C=C\CO 34a_100016294963_200025704644 [1,0,0,0,0,0|0,0,3]=4 357 B14R1.793 COc1cc(ccc1O[13CH3])CCCO 34a_100000060467_200025704644 [1,0,0,0,0,0|0,0,1]=2 358 B14R1.793 COc1cc(ccc1O[13CH3])CCCO 7a_100000060467_200025704644 [1,0,0,0,0,0|0,0,1]=2 359 B14R1.793 COc1cc(ccc1SC)SCC=O 62a_200011001119_200015260668 [1,0,0,0,0,0|1,1,0]=3 360 B14R1.793 COc1cc(ccc1SC)SCCO 62a_200011001119_100000211926 [1,0,0,0,0,0|1,1,1]=4 361 B14R1.793 COc1cc(cnc1OC)SCC=O 62a_200015260668_100010234541 [1,0,0,0,0,0|2,0,0]=3 362 B14R1.793 COc1cc(cnc1OC)SCCO 62a_100000211926_100010234541 [1,0,0,0,0,0|2,0,1]=4 363 B14R1.793 COc1cc(nnc1OC)SCC=O 62a_200015260668_200000095610 [1,0,0,0,0,0|3,0,0]=4 364 B14R1.793 COc1ccc(cc1C#N)NCC=O 34a_100011204338_200009817547 [1,0,0,0,0,0|3,0,0]=4 365 B14R1.793 COc1ccc(cc1C#N)NCC=O 7a_100011204338_200015260668 [1,0,0,0,0,0|3,0,0]=4 366 B14R1.793 COc1ccc(cc1C#N)SCC=O 62a_200015260668_100000188252 [1,0,0,0,0,0|3,0,0]=4 367 B14R1.793 COc1ccc(cc1C=O)SCC=O 62a_100000170026_200015260668 [1,0,0,0,0,0|3,0,0]=4 368 B14R1.793 COc1ccc(cc1C=O)SCC=O 62a_200015260668_100000170026 [1,0,0,0,0,0|3,0,0]=4 369 B14R1.793 COc1ccc(cc1CN)SCC=O 62a_100000690498_200015260668 [1,0,0,0,0,0|3,0,0]=4 370 B14R1.793 COc1ccc(cc1CN)SCC=O 62a_200015260668_100000690498 [1,0,0,0,0,0|3,0,0]=4 371 B14R1.793 COc1ccc(cc1CO)SCC=O 62a_100000204679_200015260668 [1,0,0,0,0,0|3,0,0]=4 372 B14R1.793 COc1ccc(cc1CO)SCC=O 62a_200015260668_100000204679 [1,0,0,0,0,0|3,0,0]=4 373 B14R1.793 COc1ccc(cc1OC)/C=C/CO 34a_100102524974_200000210301 [1,0,0,0,0,0|0,0,3]=4 374 B14R1.793 COc1ccc(cc1OC)/C=C\CO 34a_100016294963_200000210301 [1,0,0,0,0,0|0,0,3]=4 375 B14R1.793 COc1ccc(cc1OC)CCCO 34a_100000060467_200000210301 [1,0,0,0,0,0|0,0,1]=2 376 B14R1.793 COc1ccc(cc1OC)CCCO 7a_100000060467_200000210301 [1,0,0,0,0,0|0,0,1]=2 377 B14R1.793 COc1ccc(cc1OC)CCN[13CH3] 2230a_100000210947_200025704644 [1,0,0,0,0,0|2,0,0]=3 378 B14R1.793 COc1ccc(cc1OC)CCN[13CH3] 34a_100000210947_200025704644 [1,0,0,0,0,0|2,0,0]=3 379 B14R1.793 COc1ccc(cc1OC)CCO[13CH3] 34a_100011215274_200025704644 [1,0,0,0,0,0|2,0,0]=3 380 B14R1.793 COc1ccc(cc1OC)CCSC 62a_200000210301_100011740610 [1,0,0,0,0,0|2,0,0]=3 381 B14R1.793 COc1ccc(cc1OC)CCS[13CH3] 62a_200025704644_100011740610 [1,0,0,0,0,0|2,0,0]=3 382 B14R1.793 COc1ccc(cc1OC)CNCF 34a_100000185555_100015361967 [1,0,0,0,0,0|2,0,1]=4 383 B14R1.793 COc1ccc(cc1OC)COCF 34a_100000210929_100015361967 [1,0,0,0,0,0|2,0,1]=4 384 B14R1.793 COc1ccc(cc1OC)CSCF 62a_100015361967_100011233839 [1,0,0,0,0,0|2,0,1]=4 385 B14R1.793 COc1ccc(cc1OC)NCC=O 34a_100000187404_200009817547 [1,0,0,0,0,0|1,0,0]=2 386 B14R1.793 COc1ccc(cc1OC)NCCF 34a_100000187404_100011217306 [1,0,0,0,0,0|2,0,1]=4 387 B14R1.793 COc1ccc(cc1OC)NCCO 34a_100000187404_100000211926 [1,0,0,0,0,0|1,0,1]=3 388 B14R1.793 COc1ccc(cc1OC)NCSC 34a_100000187404_100011218213 [1,0,0,0,0,0|3,0,0]=4 389 B14R1.793 COc1ccc(cc1OC)OCC=O 34a_100000039706_200009817547 [1,0,0,0,0,0|1,0,0]=2 390 B14R1.793 COc1ccc(cc1OC)OCCF 34a_100000039706_100011217306 [1,0,0,0,0,0|2,0,1]=4 391 B14R1.793 COc1ccc(cc1OC)OCCO 34a_100000039706_100000211926 [1,0,0,0,0,0|1,0,1]=3 392 B14R1.793 COc1ccc(cc1OC)OCSC 34a_100000039706_100011218213 [1,0,0,0,0,0|3,0,0]=4 393 B14R1.793 COc1ccc(cc1OC)SCC#N 62a_100011215382_100011356967 [1,0,0,0,0,0|2,0,1]=4 394 B14R1.793 COc1ccc(cc1OC)SCC=O 62a_200015260668_100011356967 [1,0,0,0,0,0|1,0,0]=2 395 B14R1.793 COc1ccc(cc1OC)SCCF 62a_100011217306_100011356967 [1,0,0,0,0,0|2,0,1]=4 396 B14R1.793 COc1ccc(cc1OC)SCCO 62a_100000211926_100011356967 [1,0,0,0,0,0|1,0,1]=3 397 B14R1.793 COc1ccc(cc1OC)SCSC 62a_100011218213_100011356967 [1,0,0,0,0,0|3,0,0]=4 398 B14R1.793 COc1ccc(cc1O[13CH3])/C=C/CO 34a_100102524974_200025704644 [1,0,0,0,0,0|0,0,3]=4 399 B14R1.793 COc1ccc(cc1SC)SCC=O 62a_200009892704_200015260668 [1,0,0,0,0,0|1,1,0]=3 400 B14R1.793 COc1ccc(cc1SC)SCCO 62a_200009892704_100000211926 [1,0,0,0,0,0|1,1,1]=4 401 B14R1.793 COc1ccc(nc1OC)SCC=O 62a_200015260668_100010214848 [1,0,0,0,0,0|2,0,0]=3 402 B14R1.793 COc1ccc(nc1OC)SCCO 62a_100000211926_100010214848 [1,0,0,0,0,0|2,0,1]=4 403 B14R1.793 COc1cnc(nc1OC)SCC=O 62a_200015260668_100010280452 [1,0,0,0,0,0|3,0,0]=4 404 B14R1.793 COc1ncc(nc1OC)SCC=O 62a_100010132954_200015260668 [1,0,0,0,0,0|3,0,0]=4 405 B14R1.793 COc1ncc(nc1OC)SCC=O 62a_200015260668_100010132954 [1,0,0,0,0,0|3,0,0]=4 406 B14R1.3653 C=C(C)CNc1ccc(c(c1)C)OC 2230a_100000743268_100000748629 [1,0,0,0,0,0|3,0,0]=4 407 B14R1.3653 C=C(C)CNc1ccc(c(c1)C)OC 34a_100000743268_100000748629 [1,0,0,0,0,0|3,0,0]=4 408 B14R1.3653 C=C(C)CNc1ccc(c(c1)C)OC 7a_100000743268_100000748629 [1,0,0,0,0,0|3,0,0]=4 409 B14R1.3653 C=C(C)CNc1ccc(c(c1)O)OC 34a_100000211920_100000748629 [1,0,0,0,0,0|3,0,0]=4 410 B14R1.3653 C=C(C)COc1ccc(c(c1)C)OC 34a_100000759738_100000748629 [1,0,0,0,0,0|3,0,0]=4 411 B14R1.3653 C=C(C)COc1ccc(c(c1)C)OC 7a_100000759738_100000748629 [1,0,0,0,0,0|3,0,0]=4 412 B14R1.3653 C=C(C)CSc1ccc(c(c1)C)OC 62a_100000748629_100011219705 [1,0,0,0,0,0|3,0,0]=4 413 B14R1.3653 C=C(C)CSc1ccc(c(c1)C)OC 62a_100011219705_100000211660 [1,0,0,0,0,0|3,0,0]=4 414 B14R1.3653 C=C(C)CSc1ccc(c(c1)O)OC 62a_100000748629_100009816560 [1,0,0,0,0,0|3,0,0]=4 415 B14R1.3653 C=C(F)CNc1ccc(c(c1)C)OC 2230a_100000743268_100009893438 [1,0,0,0,0,0|3,0,0]=4 416 B14R1.3653 C=C(F)CNc1ccc(c(c1)C)OC 34a_100000743268_100009893438 [1,0,0,0,0,0|3,0,0]=4 417 B14R1.3653 C=C(F)CNc1ccc(c(c1)C)OC 7a_100000743268_100000042424 [1,0,0,0,0,0|3,0,0]=4 418 B14R1.3653 C=C(F)CNc1ccc(c(c1)O)OC 34a_100000211920_100009893438 [1,0,0,0,0,0|3,0,0]=4 419 B14R1.3653 C=C(F)COc1ccc(c(c1)C)OC 34a_100000759738_100009893438 [1,0,0,0,0,0|3,0,0]=4 420 B14R1.3653 C=C(F)COc1ccc(c(c1)C)OC 7a_100000759738_100000042424 [1,0,0,0,0,0|3,0,0]=4 421 B14R1.3653 C=C(F)CSc1ccc(c(c1)C)OC 62a_100000042424_100011219705 [1,0,0,0,0,0|3,0,0]=4 422 B14R1.3653 C=C(F)CSc1ccc(c(c1)C)OC 62a_100011219705_100000042424 [1,0,0,0,0,0|3,0,0]=4 423 B14R1.3653 C=C(F)CSc1ccc(c(c1)O)OC 62a_100000042424_100009816560 [1,0,0,0,0,0|3,0,0]=4 424 B14R1.3653 CNc1ccc(cc1C)OCC(=O)N 34a_100161107805_100000187820 [1,0,0,0,0,0|3,0,0]=4 425 B14R1.3653 CNc1ccc(cc1C)OCC(=O)N 7a_100161107805_100000187820 [1,0,0,0,0,0|3,0,0]=4 426 B14R1.3653 CNc1ccc(cc1C)OCC(=O)[O-] 34a_100161107805_100020667443 [1,0,0,0,0,0|2,0,1]=4 427 B14R1.3653 CNc1ccc(cc1C)SCC(=O)N 62a_100000221803_100000747473 [1,0,0,0,0,0|3,0,0]=4 428 B14R1.3653 CNc1ccc(cc1C)SCC(=O)N 62a_100000747473_100000221803 [1,0,0,0,0,0|3,0,0]=4 429 B14R1.3653 CNc1ccc(cc1C)SCC(=O)[O-] 62a_100000221803_100020667443 [1,0,0,0,0,0|2,0,1]=4 430 B14R1.3653 CNc1ccc(cc1C)SCC(=O)[O-] 62a_100020667443_100000221803 [1,0,0,0,0,0|2,0,1]=4 431 B14R1.3653 COc1ccc(cc1Br)CCC(=O)C 1458a_100000736731_200000210301 [1,0,0,0,0,0|2,0,0]=3 432 B14R1.3653 COc1ccc(cc1Br)CCC(=O)[13CH3] 1458a_100000736731_200025704644 [1,0,0,0,0,0|2,0,0]=3 433 B14R1.3653 COc1ccc(cc1Br)CNC(=O)C 11a_100159240714_100015343762 [1,0,0,0,0,0|3,0,0]=4 434 B14R1.3653 COc1ccc(cc1Br)CNC(=O)C 1626a_100159240714_100015343762 [1,0,0,0,0,0|3,0,0]=4 435 B14R1.3653 COc1ccc(cc1Br)CNC(=O)C 240690a_100159240714_100015343762 [1,0,0,0,0,0|3,0,0]=4 436 B14R1.3653 COc1ccc(cc1Br)CNC(=O)C 527a_100159240714_100103153847 [1,0,0,0,0,0|3,0,0]=4 437 B14R1.3653 COc1ccc(cc1Br)NCC(=O)N 34a_100000187427_100000187820 [1,0,0,0,0,0|3,0,0]=4 438 B14R1.3653 COc1ccc(cc1Br)NCC(=O)[O-] 34a_100000187427_100020667443 [1,0,0,0,0,0|2,0,1]=4 439 B14R1.3653 COc1ccc(cc1Br)OCC(=O)N 34a_100010234764_100000187820 [1,0,0,0,0,0|3,0,0]=4 440 B14R1.3653 COc1ccc(cc1Br)OCC(=O)N 7a_100010234764_100000187820 [1,0,0,0,0,0|3,0,0]=4 441 B14R1.3653 COc1ccc(cc1Br)OCC(=O)[O-] 34a_100010234764_100020667443 [1,0,0,0,0,0|2,0,1]=4 442 B14R1.3653 COc1ccc(cc1Br)SCC(=O)N 62a_100000747473_100011249507 [1,0,0,0,0,0|3,0,0]=4 443 B14R1.3653 COc1ccc(cc1Br)SCC(=O)N 62a_100011249507_100000747473 [1,0,0,0,0,0|3,0,0]=4 444 B14R1.3653 COc1ccc(cc1Br)SCC(=O)[O-] 62a_100011249507_100020667443 [1,0,0,0,0,0|2,0,1]=4 445 B14R1.3653 COc1ccc(cc1Br)SCC(=O)[O-] 62a_100020667443_100011249507 [1,0,0,0,0,0|2,0,1]=4 446 B14R1.3653 COc1ccc(cc1C)C=CC(=O)C 1458a_100116352456_200000210301 [1,0,0,0,0,0|1,0,2]=4 447 B14R1.3653 COc1ccc(cc1C)C=CC(=O)[13CH3] 1458a_100116352456_200025704644 [1,0,0,0,0,0|1,0,2]=4 448 B14R1.3653 COc1ccc(cc1C)CCC(=O)C 1458a_100011616661_200000210301 [1,0,0,0,0,0|1,0,0]=2 449 B14R1.3653 COc1ccc(cc1C)CCC(=O)[13CH3] 1458a_100011616661_200025704644 [1,0,0,0,0,0|1,0,0]=2 450 B14R1.3653 COc1ccc(cc1C)CNC(=O)C 11a_100102679029_100015343762 [1,0,0,0,0,0|2,0,0]=3 451 B14R1.3653 COc1ccc(cc1C)CNC(=O)C 1626a_100102679029_100015343762 [1,0,0,0,0,0|2,0,0]=3 452 B14R1.3653 COc1ccc(cc1C)CNC(=O)C 240690a_100102679029_100015343762 [1,0,0,0,0,0|2,0,0]=3 453 B14R1.3653 COc1ccc(cc1C)CNC(=O)C 527a_100102679029_100103153847 [1,0,0,0,0,0|2,0,0]=3 454 B14R1.3653 COc1ccc(cc1C)NCC(=O)N 2230a_100000743268_100000747473 [1,0,0,0,0,0|2,0,0]=3 455 B14R1.3653 COc1ccc(cc1C)NCC(=O)N 34a_100000743268_100000187820 [1,0,0,0,0,0|2,0,0]=3 456 B14R1.3653 COc1ccc(cc1C)NCC(=O)N 7a_100000743268_100000187820 [1,0,0,0,0,0|2,0,0]=3 457 B14R1.3653 COc1ccc(cc1C)NCC(=O)[O-] 34a_100000743268_100020667443 [1,0,0,0,0,0|1,0,1]=3 458 B14R1.3653 COc1ccc(cc1C)NCC(C)O 2230a_100000743268_100011218427 [1,0,0,0,0,0|2,0,1]=4 459 B14R1.3653 COc1ccc(cc1C)NCC(C)O 34a_100000743268_100011218427 [1,0,0,0,0,0|2,0,1]=4 460 B14R1.3653 COc1ccc(cc1C)NCC(C)O 7a_100000743268_100011218427 [1,0,0,0,0,0|2,0,1]=4 461 B14R1.3653 COc1ccc(cc1C)NC[C@@H](C)O 2230a_100000743268_100009817552 [1,0,0,0,0,0|2,0,1]=4 462 B14R1.3653 COc1ccc(cc1C)NC[C@@H](C)O 34a_100000743268_100009817552 [1,0,0,0,0,0|2,0,1]=4 463 B14R1.3653 COc1ccc(cc1C)NC[C@@H](C)O 7a_100000743268_100009817552 [1,0,0,0,0,0|2,0,1]=4 464 B14R1.3653 COc1ccc(cc1C)NC[N+](=O)[O-] 34a_100000743268_100000761209 [1,0,0,0,0,0|2,0,1]=4 465 B14R1.3653 COc1ccc(cc1C)OCC(=O)N 34a_100000759738_100000187820 [1,0,0,0,0,0|2,0,0]=3 466 B14R1.3653 COc1ccc(cc1C)OCC(=O)N 7a_100000759738_100000187820 [1,0,0,0,0,0|2,0,0]=3 467 B14R1.3653 COc1ccc(cc1C)OCC(=O)[O-] 34a_100000759738_100020667443 [1,0,0,0,0,0|1,0,1]=3 468 B14R1.3653 COc1ccc(cc1C)OCC(C)O 34a_100000759738_100011218427 [1,0,0,0,0,0|2,0,1]=4 469 B14R1.3653 COc1ccc(cc1C)OCC(C)O 7a_100000759738_100011218427 [1,0,0,0,0,0|2,0,1]=4 470 B14R1.3653 COc1ccc(cc1C)OC[C@@H](C)O 34a_100000759738_100009817552 [1,0,0,0,0,0|2,0,1]=4 471 B14R1.3653 COc1ccc(cc1C)OC[C@@H](C)O 7a_100000759738_100009817552 [1,0,0,0,0,0|2,0,1]=4 472 B14R1.3653 COc1ccc(cc1C)OC[N+](=O)[O-] 34a_100000759738_100000761209 [1,0,0,0,0,0|2,0,1]=4 473 B14R1.3653 COc1ccc(cc1C)SCC(=O)N 62a_100000747473_100011219705 [1,0,0,0,0,0|2,0,0]=3 474 B14R1.3653 COc1ccc(cc1C)SCC(=O)N 62a_100011219705_100000747473 [1,0,0,0,0,0|2,0,0]=3 475 B14R1.3653 COc1ccc(cc1C)SCC(=O)[O-] 62a_100011219705_100020667443 [1,0,0,0,0,0|1,0,1]=3 476 B14R1.3653 COc1ccc(cc1C)SCC(=O)[O-] 62a_100020667443_100011219705 [1,0,0,0,0,0|1,0,1]=3 477 B14R1.3653 COc1ccc(cc1C)SCC(C)O 62a_100011218427_100011219705 [1,0,0,0,0,0|2,0,1]=4 478 B14R1.3653 COc1ccc(cc1C)SCC(C)O 62a_100011219705_100011218427 [1,0,0,0,0,0|2,0,1]=4 479 B14R1.3653 COc1ccc(cc1C)SC[C@@H](C)O 62a_100009817552_100011219705 [1,0,0,0,0,0|2,0,1]=4 480 B14R1.3653 COc1ccc(cc1C)SC[C@@H](C)O 62a_100011219705_100009817552 [1,0,0,0,0,0|2,0,1]=4 481 B14R1.3653 COc1ccc(cc1C)SC[N+](=O)[O-] 62a_100011219705_100000761209 [1,0,0,0,0,0|2,0,1]=4 482 B14R1.3653 COc1ccc(cc1Cl)CCC(=O)C 1458a_100000735577_200000210301 [1,0,0,0,0,0|2,0,0]=3 483 B14R1.3653 COc1ccc(cc1Cl)CCC(=O)[13CH3] 1458a_100000735577_200025704644 [1,0,0,0,0,0|2,0,0]=3 484 B14R1.3653 COc1ccc(cc1Cl)CNC(=O)C 11a_100000008799_100015343762 [1,0,0,0,0,0|3,0,0]=4 485 B14R1.3653 COc1ccc(cc1Cl)CNC(=O)C 1626a_100000008799_100015343762 [1,0,0,0,0,0|3,0,0]=4 486 B14R1.3653 COc1ccc(cc1Cl)CNC(=O)C 240690a_100000008799_100015343762 [1,0,0,0,0,0|3,0,0]=4 487 B14R1.3653 COc1ccc(cc1Cl)CNC(=O)C 527a_100000008799_100103153847 [1,0,0,0,0,0|3,0,0]=4 488 B14R1.3653 COc1ccc(cc1Cl)NCC(=O)N 2230a_100000211044_100000747473 [1,0,0,0,0,0|3,0,0]=4 489 B14R1.3653 COc1ccc(cc1Cl)NCC(=O)N 34a_100000211044_100000187820 [1,0,0,0,0,0|3,0,0]=4 490 B14R1.3653 COc1ccc(cc1Cl)NCC(=O)[O-] 34a_100000211044_100020667443 [1,0,0,0,0,0|2,0,1]=4 491 B14R1.3653 COc1ccc(cc1Cl)OCC(=O)N 34a_200009861682_100000187820 [1,0,0,0,0,0|3,0,0]=4 492 B14R1.3653 COc1ccc(cc1Cl)OCC(=O)N 7a_200009861682_100000187820 [1,0,0,0,0,0|3,0,0]=4 493 B14R1.3653 COc1ccc(cc1Cl)OCC(=O)[O-] 34a_200009861682_100020667443 [1,0,0,0,0,0|2,0,1]=4 494 B14R1.3653 COc1ccc(cc1Cl)SCC(=O)N 62a_100000747473_100012355395 [1,0,0,0,0,0|3,0,0]=4 495 B14R1.3653 COc1ccc(cc1Cl)SCC(=O)N 62a_100012355395_100000747473 [1,0,0,0,0,0|3,0,0]=4 496 B14R1.3653 COc1ccc(cc1Cl)SCC(=O)[O-] 62a_100012355395_100020667443 [1,0,0,0,0,0|2,0,1]=4 497 B14R1.3653 COc1ccc(cc1Cl)SCC(=O)[O-] 62a_100020667443_100012355395 [1,0,0,0,0,0|2,0,1]=4 498 B14R1.3653 COc1ccc(cc1F)CCC(=O)C 1458a_100000234888_200000210301 [1,0,0,0,0,0|2,0,0]=3 499 B14R1.3653 COc1ccc(cc1F)CCC(=O)[13CH3] 1458a_100000234888_200025704644 [1,0,0,0,0,0|2,0,0]=3 500 B14R1.3653 COc1ccc(cc1F)CNC(=O)C 11a_100000737316_100015343762 [1,0,0,0,0,0|3,0,0]=4 501 B14R1.3653 COc1ccc(cc1F)CNC(=O)C 1626a_100000737316_100015343762 [1,0,0,0,0,0|3,0,0]=4 502 B14R1.3653 COc1ccc(cc1F)CNC(=O)C 240690a_100000737316_100015343762 [1,0,0,0,0,0|3,0,0]=4 503 B14R1.3653 COc1ccc(cc1F)CNC(=O)C 527a_100000737316_100103153847 [1,0,0,0,0,0|3,0,0]=4 504 B14R1.3653 COc1ccc(cc1F)NCC(=O)N 2230a_100000740183_100000747473 [1,0,0,0,0,0|3,0,0]=4 505 B14R1.3653 COc1ccc(cc1F)NCC(=O)N 34a_100000740183_100000187820 [1,0,0,0,0,0|3,0,0]=4 506 B14R1.3653 COc1ccc(cc1F)NCC(=O)[O-] 34a_100000740183_100020667443 [1,0,0,0,0,0|2,0,1]=4 507 B14R1.3653 COc1ccc(cc1F)OCC(=O)N 34a_100000746305_100000187820 [1,0,0,0,0,0|3,0,0]=4 508 B14R1.3653 COc1ccc(cc1F)OCC(=O)N 7a_100000746305_100000187820 [1,0,0,0,0,0|3,0,0]=4 509 B14R1.3653 COc1ccc(cc1F)OCC(=O)[O-] 34a_100000746305_100020667443 [1,0,0,0,0,0|2,0,1]=4 510 B14R1.3653 COc1ccc(cc1F)SCC(=O)N 62a_100000171752_100000747473 [1,0,0,0,0,0|3,0,0]=4 511 B14R1.3653 COc1ccc(cc1F)SCC(=O)N 62a_100000747473_100000171752 [1,0,0,0,0,0|3,0,0]=4 512 B14R1.3653 COc1ccc(cc1F)SCC(=O)[O-] 62a_100000171752_100020667443 [1,0,0,0,0,0|2,0,1]=4 513 B14R1.3653 COc1ccc(cc1F)SCC(=O)[O-] 62a_100020667443_100000171752 [1,0,0,0,0,0|2,0,1]=4 514 B14R1.3653 COc1ccc(cc1I)NCC(=O)N 34a_100011356947_100000187820 [1,0,0,0,0,0|3,0,0]=4 515 B14R1.3653 COc1ccc(cc1I)NCC(=O)[O-] 34a_100011356947_100020667443 [1,0,0,0,0,0|2,0,1]=4 516 B14R1.3653 COc1ccc(cc1I)OCC(=O)N 34a_100010084122_100000187820 [1,0,0,0,0,0|3,0,0]=4 517 B14R1.3653 COc1ccc(cc1I)OCC(=O)N 7a_100010084122_100000187820 [1,0,0,0,0,0|3,0,0]=4 518 B14R1.3653 COc1ccc(cc1I)OCC(=O)[O-] 34a_100010084122_100020667443 [1,0,0,0,0,0|2,0,1]=4 519 B14R1.3653 COc1ccc(cc1N)SCC(=O)N 62a_100000747473_100011249504 [1,0,0,0,0,0|3,0,0]=4 520 B14R1.3653 COc1ccc(cc1N)SCC(=O)N 62a_100011249504_100000747473 [1,0,0,0,0,0|3,0,0]=4 521 B14R1.3653 COc1ccc(cc1N)SCC(=O)[O-] 62a_100011249504_100020667443 [1,0,0,0,0,0|2,0,1]=4 522 B14R1.3653 COc1ccc(cc1N)SCC(=O)[O-] 62a_100020667443_100011249504 [1,0,0,0,0,0|2,0,1]=4 523 B14R1.3653 COc1ccc(cc1O)/C=C/C(=O)C 271570a_203496583355_200016254069 [1,0,0,0,0,0|1,0,2]=4 524 B14R1.3653 COc1ccc(cc1O)C=CC(=O)C 1458a_100000184920_200000210301 [1,0,0,0,0,0|1,0,2]=4 525 B14R1.3653 COc1ccc(cc1O)C=CC(=O)[13CH3] 1458a_100000184920_200025704644 [1,0,0,0,0,0|1,0,2]=4 526 B14R1.3653 COc1ccc(cc1O)CCC(=O)C 1458a_100000746301_200000210301 [1,0,0,0,0,0|1,0,0]=2 527 B14R1.3653 COc1ccc(cc1O)CCC(=O)[13CH3] 1458a_100000746301_200025704644 [1,0,0,0,0,0|1,0,0]=2 528 B14R1.3653 COc1ccc(cc1O)CNC(=O)C 240690a_100000740000_100015343762 [1,0,0,0,0,0|2,0,0]=3 529 B14R1.3653 COc1ccc(cc1O)CNC(=O)C 527a_100000740000_100103153847 [1,0,0,0,0,0|2,0,0]=3 530 B14R1.3653 COc1ccc(cc1O)NCC(=O)N 34a_100000211920_100000187820 [1,0,0,0,0,0|2,0,0]=3 531 B14R1.3653 COc1ccc(cc1O)NCC(=O)[O-] 34a_100000211920_100020667443 [1,0,0,0,0,0|1,0,1]=3 532 B14R1.3653 COc1ccc(cc1O)NCC(C)O 34a_100000211920_100011218427 [1,0,0,0,0,0|2,0,1]=4 533 B14R1.3653 COc1ccc(cc1O)NC[C@@H](C)O 34a_100000211920_100009817552 [1,0,0,0,0,0|2,0,1]=4 534 B14R1.3653 COc1ccc(cc1O)NC[N+](=O)[O-] 34a_100000211920_100000761209 [1,0,0,0,0,0|2,0,1]=4 535 B14R1.3653 COc1ccc(cc1O)SCC(=O)N 62a_100000747473_100009816560 [1,0,0,0,0,0|2,0,0]=3 536 B14R1.3653 COc1ccc(cc1O)SCC(=O)[O-] 62a_100020667443_100009816560 [1,0,0,0,0,0|1,0,1]=3 537 B14R1.3653 COc1ccc(cc1O)SCC(C)O 62a_100011218427_100009816560 [1,0,0,0,0,0|2,0,1]=4 538 B14R1.3653 COc1ccc(cc1O)SC[C@@H](C)O 62a_100009817552_100009816560 [1,0,0,0,0,0|2,0,1]=4 539 B14R1.3653 COc1ccc(nc1C)SCC(=O)N 62a_100000747473_100010244750 [1,0,0,0,0,0|3,0,0]=4 540 B14R1.3653 COc1ccc(nc1C)SCC(=O)N 62a_100010244750_100000747473 [1,0,0,0,0,0|3,0,0]=4 541 B14R1.3653 COc1ccc(nc1C)SCC(=O)[O-] 62a_100010244750_100020667443 [1,0,0,0,0,0|2,0,1]=4 542 B14R1.3653 COc1ccc(nc1C)SCC(=O)[O-] 62a_100020667443_100010244750 [1,0,0,0,0,0|2,0,1]=4 543 B14R1.3653 COc1cnc(cc1O)SCC(=O)N 62a_100000747473_100010264082 [1,0,0,0,0,0|3,0,0]=4 544 B14R1.3653 COc1cnc(cc1O)SCC(=O)[O-] 62a_100020667443_100010264082 [1,0,0,0,0,0|2,0,1]=4 545 B14R1.3653 COc1ncc(cc1C)SCC(=O)N 62a_100000747473_100011290809 [1,0,0,0,0,0|3,0,0]=4 546 B14R1.3653 COc1ncc(cc1C)SCC(=O)N 62a_100011290809_100000747473 [1,0,0,0,0,0|3,0,0]=4 547 B14R1.3653 COc1ncc(cc1C)SCC(=O)[O-] 62a_100011290809_100020667443 [1,0,0,0,0,0|2,0,1]=4 548 B14R1.3653 COc1ncc(cc1C)SCC(=O)[O-] 62a_100020667443_100011290809 [1,0,0,0,0,0|2,0,1]=4 549 B14R1.3653 COc1ncc(cc1O)SCC(=O)N 62a_100000747473_100010135713 [1,0,0,0,0,0|3,0,0]=4 550 B14R1.3653 COc1ncc(cc1O)SCC(=O)[O-] 62a_100020667443_100010135713 [1,0,0,0,0,0|2,0,1]=4 551 B14R1.3653 CSc1ccc(cc1C)OCC(=O)N 34a_100000030144_100000187820 [1,0,0,0,0,0|2,1,0]=4 552 B14R1.3653 CSc1ccc(cc1C)OCC(=O)[O-] 34a_100000030144_100020667443 [1,0,0,0,0,0|1,1,1]=4 553 B16R1.414 COc1cc(cc(c1OC)Br)CNC(=O)C 11a_100000748475_100015343762 [0,1,0,0,0,0|2,0,0]=3 554 B16R1.414 COc1cc(cc(c1OC)Br)CNC(=O)C 1626a_100000748475_100015343762 [0,1,0,0,0,0|2,0,0]=3 555 B16R1.414 COc1cc(cc(c1OC)Br)CNC(=O)C 240690a_100000748475_100015343762 [0,1,0,0,0,0|2,0,0]=3 556 B16R1.414 COc1cc(cc(c1OC)Br)CNC(=O)C 527a_100000748475_100103153847 [0,1,0,0,0,0|2,0,0]=3 557 B16R1.414 COc1cc(cc(c1OC)Cl)C=CC(=O)C 1458a_100000184590_200000210301 [0,1,0,0,0,0|1,0,2]=4 558 B16R1.414 COc1cc(cc(c1OC)Cl)C=CC(=O)[13CH3] 1458a_100000184590_200025704644 [0,1,0,0,0,0|1,0,2]=4 559 B16R1.4265 COc1ccc(cc1C(=O)C)OCC(=O)N 34a_100000081070_100000187820 [0,1,0,0,0,0|3,0,0]=4 560 B16R1.4265 COc1ccc(cc1C(=O)C)OCC(=O)N 7a_100000081070_100000187820 [0,1,0,0,0,0|3,0,0]=4 561 B16R1.4265 COc1ccc(cc1C(=O)C)OCC(=O)[O-] 34a_100000081070_100020667443 [0,1,0,0,0,0|2,0,1]=4 562 B16R1.4265 COc1ccc(cc1C(=O)C)SCC(=O)N 62a_100000173343_100000747473 [0,1,0,0,0,0|3,0,0]=4 563 B16R1.4265 COc1ccc(cc1C(=O)C)SCC(=O)[O-] 62a_100000173343_100020667443 [0,1,0,0,0,0|2,0,1]=4 564 B16R1.4265 COc1ccc(cc1C(C)C)NCC(=O)N 2230a_100025764739_100000747473 [0,1,0,0,0,0|3,0,0]=4 565 B16R1.4265 COc1ccc(cc1C(C)C)NCC(=O)N 34a_100025764739_100000187820 [0,1,0,0,0,0|3,0,0]=4 566 B16R1.4265 COc1ccc(cc1C(C)C)NCC(=O)[O-] 34a_100025764739_100020667443 [0,1,0,0,0,0|2,0,1]=4 567 B16R1.4273 C=C(C)CC(=O)c1ccc(c(c1)OC)OC 1458a_100000211223_100000748629 [0,1,0,0,0,0|2,0,1]=4 568 B16R1.4273 C=C(F)CC(=O)c1ccc(c(c1)OC)OC 1458a_100000211223_100009893438 [0,1,0,0,0,0|2,0,1]=4 569 B16R1.4273 COc1ccc(cc1OC)C(=O)CC(=O)C 1458a_100000070787_100000184214 [0,1,0,0,0,0|1,0,1]=3 570 B16R1.4273 COc1ccc(cc1OC)C(=O)CC(=O)N 1458a_100000211223_100000187820 [0,1,0,0,0,0|1,0,1]=3 571 B16R1.4273 COc1ccc(cc1OC)C(=O)CC(=O)[O-] 1458a_100000211223_100020667443 [0,1,0,0,0,0|0,0,2]=3 572 B16R1.4273 COc1ccc(cc1OC)C(=O)CC(C)O 1458a_100000211223_100011218427 [0,1,0,0,0,0|1,0,2]=4 573 B16R1.4273 COc1ccc(cc1OC)C(=O)C[N+](=O)[O-] 1458a_100000211223_100000761209 [0,1,0,0,0,0|1,0,2]=4 574 B16R1.4273 COc1ccc(cc1OC)C(C)CN(C)C 270004a_100102631434_100000697277 [0,1,0,0,0,0|3,0,0]=4 575 B16R1.4273 COc1ccc(cc1OC)[C@@H](C)NC(=O)C 11a_100025717294_100015343762 [0,1,0,0,0,0|2,0,0]=3 576 B16R1.4273 COc1ccc(cc1OC)[C@@H](C)NC(=O)C 1626a_100025717294_100015343762 [0,1,0,0,0,0|2,0,0]=3 577 B16R1.4273 COc1ccc(cc1OC)[C@@H](C)NC(=O)C 240690a_100025717294_100015343762 [0,1,0,0,0,0|2,0,0]=3 578 B16R1.4273 COc1ccc(cc1OC)[C@@H](C)NC(=O)C 527a_100025717294_100103153847 [0,1,0,0,0,0|2,0,0]=3 579 B16R1.4273 COc1ccc(cc1OC)[C@@H](N)CC(C)C 271570a_100015190218_100000187503 [0,1,0,0,0,0|2,0,1]=4 580 B16R1.4274 CCc1cc(ccc1OC)SC(C)C(=O)C 62a_100009814033_200010179862 [0,1,0,0,0,0|3,0,0]=4 581 B16R1.4274 CCc1cc(ccc1OC)SC(C)C(=O)C 62a_200010179862_100009814033 [0,1,0,0,0,0|3,0,0]=4 582 B16R1.4274 CCc1cc(ccc1OC)SC(C)C(=O)N 62a_100000702099_200010179862 [0,1,0,0,0,0|3,0,0]=4 583 B16R1.4274 CCc1cc(ccc1OC)SC(C)C(=O)N 62a_200010179862_100000702099 [0,1,0,0,0,0|3,0,0]=4 584 B16R1.4274 CCc1cc(ccc1OC)SC(F)C(=O)N 62a_100009813875_200010179862 [0,1,0,0,0,0|3,0,0]=4 585 B16R1.4274 CCc1cc(ccc1OC)SC(F)C(=O)N 62a_200010179862_100009813875 [0,1,0,0,0,0|3,0,0]=4 586 B16R1.4274 CCc1cc(ccc1OC)SC(F)C(=O)[O-] 62a_100020610796_200010179862 [0,1,0,0,0,0|2,0,1]=4 587 B16R1.4274 CCc1cc(ccc1OC)SC(F)C(=O)[O-] 62a_200010179862_100020610796 [0,1,0,0,0,0|2,0,1]=4 588 B16R1.4274 CCc1ccc(cc1OC)SC(C)C(=O)C 62a_100009814033_200010710398 [0,1,0,0,0,0|3,0,0]=4 589 B16R1.4274 CCc1ccc(cc1OC)SC(C)C(=O)C 62a_200010710398_100009814033 [0,1,0,0,0,0|3,0,0]=4 590 B16R1.4274 CCc1ccc(cc1OC)SC(C)C(=O)N 62a_100000702099_200010710398 [0,1,0,0,0,0|3,0,0]=4 591 B16R1.4274 CCc1ccc(cc1OC)SC(C)C(=O)N 62a_200010710398_100000702099 [0,1,0,0,0,0|3,0,0]=4 592 B16R1.4274 CCc1ccc(cc1OC)SC(F)C(=O)N 62a_100009813875_200010710398 [0,1,0,0,0,0|3,0,0]=4 593 B16R1.4274 CCc1ccc(cc1OC)SC(F)C(=O)N 62a_200010710398_100009813875 [0,1,0,0,0,0|3,0,0]=4 594 B16R1.4274 CCc1ccc(cc1OC)SC(F)C(=O)[O-] 62a_100020610796_200010710398 [0,1,0,0,0,0|2,0,1]=4 595 B16R1.4274 CCc1ccc(cc1OC)SC(F)C(=O)[O-] 62a_200010710398_100020610796 [0,1,0,0,0,0|2,0,1]=4 596 B16R1.4274 COc1cc(ccc1SC)SC(C)C(=O)C 62a_200011001119_100009814033 [0,1,0,0,0,0|2,1,0]=4 597 B16R1.4274 COc1cc(ccc1SC)SC(C)C(=O)N 62a_200011001119_100000702099 [0,1,0,0,0,0|2,1,0]=4 598 B16R1.4274 COc1cc(ccc1SC)SC(F)C(=O)N 62a_200011001119_100009813875 [0,1,0,0,0,0|2,1,0]=4 599 B16R1.4274 COc1cc(ccc1SC)SC(F)C(=O)[O-] 62a_200011001119_100020610796 [0,1,0,0,0,0|1,1,1]=4 600 B16R1.4274 COc1cc(cnc1OC)SC(C)C(=O)C 62a_100009814033_100010234541 [0,1,0,0,0,0|3,0,0]=4 601 B16R1.4274 COc1cc(cnc1OC)SC(C)C(=O)N 62a_100000702099_100010234541 [0,1,0,0,0,0|3,0,0]=4 602 B16R1.4274 COc1cc(cnc1OC)SC(F)C(=O)N 62a_100009813875_100010234541 [0,1,0,0,0,0|3,0,0]=4 603 B16R1.4274 COc1cc(cnc1OC)SC(F)C(=O)[O-] 62a_100020610796_100010234541 [0,1,0,0,0,0|2,0,1]=4 604 B16R1.4274 COc1ccc(cc1OC)CC(C)N(C)C 270004a_100102631434_100000211454 [0,1,0,0,0,0|3,0,0]=4 605 B16R1.4274 COc1ccc(cc1OC)CN(C)C(=O)C 1626a_100000180827_100015343762 [0,1,0,0,0,0|2,0,0]=3 606 B16R1.4274 COc1ccc(cc1OC)CN(C)C(=O)C 240690a_100000180827_100015343762 [0,1,0,0,0,0|2,0,0]=3 607 B16R1.4274 COc1ccc(cc1OC)CN(C)C(=O)C 527a_100000180827_100103153847 [0,1,0,0,0,0|2,0,0]=3 608 B16R1.4274 COc1ccc(cc1OC)NC(=O)C(=O)N 22a_100000187404_100011215815 [0,1,0,0,0,0|2,0,1]=4 609 B16R1.4274 COc1ccc(cc1OC)NC(C)C(=O)N 34a_100000187404_100000702099 [0,1,0,0,0,0|2,0,0]=3 610 B16R1.4274 COc1ccc(cc1OC)NC(F)C(=O)N 34a_100000187404_100009813875 [0,1,0,0,0,0|2,0,0]=3 611 B16R1.4274 COc1ccc(cc1OC)NC(F)C(=O)[O-] 34a_100000187404_100020610796 [0,1,0,0,0,0|1,0,1]=3 612 B16R1.4274 COc1ccc(cc1OC)OC(C)C(=O)N 34a_100000039706_100000702099 [0,1,0,0,0,0|2,0,0]=3 613 B16R1.4274 COc1ccc(cc1OC)OC(F)C(=O)N 34a_100000039706_100009813875 [0,1,0,0,0,0|2,0,0]=3 614 B16R1.4274 COc1ccc(cc1OC)OC(F)C(=O)[O-] 34a_100000039706_100020610796 [0,1,0,0,0,0|1,0,1]=3 615 B16R1.4274 COc1ccc(cc1OC)SC(C)C(=O)C 62a_100009814033_100011356967 [0,1,0,0,0,0|2,0,0]=3 616 B16R1.4274 COc1ccc(cc1OC)SC(C)C(=O)N 62a_100000702099_100011356967 [0,1,0,0,0,0|2,0,0]=3 617 B16R1.4274 COc1ccc(cc1OC)SC(F)C(=O)N 62a_100009813875_100011356967 [0,1,0,0,0,0|2,0,0]=3 618 B16R1.4274 COc1ccc(cc1OC)SC(F)C(=O)[O-] 62a_100020610796_100011356967 [0,1,0,0,0,0|1,0,1]=3 619 B16R1.4274 COc1ccc(cc1SC)SC(C)C(=O)C 62a_200009892704_100009814033 [0,1,0,0,0,0|2,1,0]=4 620 B16R1.4274 COc1ccc(cc1SC)SC(C)C(=O)N 62a_200009892704_100000702099 [0,1,0,0,0,0|2,1,0]=4 621 B16R1.4274 COc1ccc(cc1SC)SC(F)C(=O)N 62a_200009892704_100009813875 [0,1,0,0,0,0|2,1,0]=4 622 B16R1.4274 COc1ccc(cc1SC)SC(F)C(=O)[O-] 62a_200009892704_100020610796 [0,1,0,0,0,0|1,1,1]=4 623 B16R1.4274 COc1ccc(nc1OC)SC(C)C(=O)C 62a_100009814033_100010214848 [0,1,0,0,0,0|3,0,0]=4 624 B16R1.4274 COc1ccc(nc1OC)SC(C)C(=O)N 62a_100000702099_100010214848 [0,1,0,0,0,0|3,0,0]=4 625 B16R1.4274 COc1ccc(nc1OC)SC(F)C(=O)N 62a_100009813875_100010214848 [0,1,0,0,0,0|3,0,0]=4 626 B16R1.4274 COc1ccc(nc1OC)SC(F)C(=O)[O-] 62a_100020610796_100010214848 [0,1,0,0,0,0|2,0,1]=4 627 B16R1.4276 C#CC(=O)CCc1ccc(c(c1)OC)OC 1458a_100000211873_100011740610 [0,1,0,0,0,0|1,0,0]=2 628 B16R1.4276 C=C(C#N)CNc1ccc(c(c1)OC)OC 34a_100000187404_100000694840 [0,1,0,0,0,0|3,0,0]=4 629 B16R1.4276 C=C(C#N)COc1ccc(c(c1)OC)OC 34a_100000039706_100000694840 [0,1,0,0,0,0|3,0,0]=4 630 B16R1.4276 C=CC(=O)CCc1ccc(c(c1)OC)OC 1458a_100000185746_100011740610 [0,1,0,0,0,0|1,0,0]=2 631 B16R1.4276 C=CC(=O)NCc1ccc(c(c1)OC)OC 1626a_100000185555_100000185746 [0,1,0,0,0,0|2,0,0]=3 632 B16R1.4276 C=CC(=O)NCc1ccc(c(c1)OC)OC 240690a_100000185555_200121576911 [0,1,0,0,0,0|2,0,0]=3 633 B16R1.4276 C=CC(O)CNc1ccc(c(c1)OC)OC 34a_100000187404_100000730141 [0,1,0,0,0,0|2,0,1]=4 634 B16R1.4276 C=CC(O)COc1ccc(c(c1)OC)OC 34a_100000039706_100000730141 [0,1,0,0,0,0|2,0,1]=4 635 B16R1.4276 C=CC(O)CSc1ccc(c(c1)OC)OC 62a_100000730141_100011356967 [0,1,0,0,0,0|2,0,1]=4 636 B16R1.4276 CCC(=O)C=Cc1ccc(c(c1)OC)OC 1458a_100015194992_100000210202 [0,1,0,0,0,0|1,0,2]=4 637 B16R1.4276 CCC(=O)CCc1ccc(c(c1)OC)OC 1458a_100000187252_100000210202 [0,1,0,0,0,0|1,0,0]=2 638 B16R1.4276 CCC(=O)CCc1ccc(c(c1)OC)OC 1458a_100000210414_100011740610 [0,1,0,0,0,0|1,0,0]=2 639 B16R1.4276 CCC(=O)CSc1ccc(c(c1)CC)OC 62a_100000747405_200010179862 [0,1,0,0,0,0|3,0,0]=4 640 B16R1.4276 CCC(=O)CSc1ccc(c(c1)CC)OC 62a_200010179862_100000747405 [0,1,0,0,0,0|3,0,0]=4 641 B16R1.4276 CCC(=O)CSc1ccc(c(c1)OC)CC 62a_100000747405_200010710398 [0,1,0,0,0,0|3,0,0]=4 642 B16R1.4276 CCC(=O)CSc1ccc(c(c1)OC)CC 62a_200010710398_100000747405 [0,1,0,0,0,0|3,0,0]=4 643 B16R1.4276 CCC(=O)CSc1ccc(c(c1)OC)OC 62a_100000747405_100011356967 [0,1,0,0,0,0|2,0,0]=3 644 B16R1.4276 CCC(=O)CSc1ccc(c(c1)OC)SC 62a_200011001119_100000747405 [0,1,0,0,0,0|2,1,0]=4 645 B16R1.4276 CCC(=O)CSc1ccc(c(c1)SC)OC 62a_200009892704_100000747405 [0,1,0,0,0,0|2,1,0]=4 646 B16R1.4276 CCC(=O)CSc1ccc(c(n1)OC)OC 62a_100000747405_100010214848 [0,1,0,0,0,0|3,0,0]=4 647 B16R1.4276 CCC(=O)CSc1cnc(c(c1)OC)OC 62a_100000747405_100010234541 [0,1,0,0,0,0|3,0,0]=4 648 B16R1.4276 CCC(=O)NCc1ccc(c(c1)OC)OC 11a_100000185555_100000210414 [0,1,0,0,0,0|2,0,0]=3 649 B16R1.4276 CCC(=O)NCc1ccc(c(c1)OC)OC 1626a_100000185555_100000210414 [0,1,0,0,0,0|2,0,0]=3 650 B16R1.4276 CCC(=O)NCc1ccc(c(c1)OC)OC 240690a_100000185555_100000210414 [0,1,0,0,0,0|2,0,0]=3 651 B16R1.4276 CCC(=O)NCc1ccc(c(c1)OC)OC 527a_100000185555_100000210414 [0,1,0,0,0,0|2,0,0]=3 652 B16R1.4276 CCC(O)CNc1ccc(c(c1)OC)OC 34a_100000187404_100011218378 [0,1,0,0,0,0|2,0,1]=4 653 B16R1.4276 CCC(O)COc1ccc(c(c1)OC)OC 34a_100000039706_100011218378 [0,1,0,0,0,0|2,0,1]=4 654 B16R1.4276 CCC(O)CSc1ccc(c(c1)OC)OC 62a_100011218378_100011356967 [0,1,0,0,0,0|2,0,1]=4 655 B16R1.4276 CCN(C)CCc1ccc(c(c1)OC)OC 2230a_100000211294_100000210202 [0,1,0,0,0,0|3,0,0]=4 656 B16R1.4276 CCN(C)CCc1ccc(c(c1)OC)OC 2230a_100000225621_100011273988 [0,1,0,0,0,0|3,0,0]=4 657 B16R1.4276 CCN(C)CCc1ccc(c(c1)OC)OC 269982a_100000211294_100000204670 [0,1,0,0,0,0|3,0,0]=4 658 B16R1.4276 CCN(C)CCc1ccc(c(c1)OC)OC 269982a_100000225621_100011273988 [0,1,0,0,0,0|3,0,0]=4 659 B16R1.4276 CCc1cc(ccc1OC)SCC(=O)NC 62a_100000183359_200010179862 [0,1,0,0,0,0|3,0,0]=4 660 B16R1.4276 CCc1cc(ccc1OC)SCC(=O)NC 62a_200010179862_100000183359 [0,1,0,0,0,0|3,0,0]=4 661 B16R1.4276 CCc1cc(ccc1OC)SCC(=O)OC 62a_100000747449_200010179862 [0,1,0,0,0,0|2,0,0]=3 662 B16R1.4276 CCc1cc(ccc1OC)SCC(=O)OC 62a_200010179862_100000747449 [0,1,0,0,0,0|2,0,0]=3 663 B16R1.4276 CCc1ccc(cc1OC)SCC(=O)NC 62a_100000183359_200010710398 [0,1,0,0,0,0|3,0,0]=4 664 B16R1.4276 CCc1ccc(cc1OC)SCC(=O)NC 62a_200010710398_100000183359 [0,1,0,0,0,0|3,0,0]=4 665 B16R1.4276 CCc1ccc(cc1OC)SCC(=O)OC 62a_100000747449_200010710398 [0,1,0,0,0,0|2,0,0]=3 666 B16R1.4276 CCc1ccc(cc1OC)SCC(=O)OC 62a_200010710398_100000747449 [0,1,0,0,0,0|2,0,0]=3 667 B16R1.4276 CNC(=O)C=Cc1ccc(c(c1)OC)OC 11a_106832991635_100015194992 [0,1,0,0,0,0|1,0,2]=4 668 B16R1.4276 CNC(=O)C=Cc1ccc(c(c1)OC)OC 1626a_100102657272_100015194992 [0,1,0,0,0,0|1,0,2]=4 669 B16R1.4276 CNC(=O)C=Cc1ccc(c(c1)OC)OC 240690a_100102657272_100015194992 [0,1,0,0,0,0|1,0,2]=4 670 B16R1.4276 CNC(=O)C=Cc1ccc(c(c1)OC)OC 527a_100102657272_100015194992 [0,1,0,0,0,0|1,0,2]=4 671 B16R1.4276 CNC(=O)CCc1ccc(c(c1)OC)OC 11a_106832991635_100000187252 [0,1,0,0,0,0|1,0,0]=2 672 B16R1.4276 CNC(=O)CCc1ccc(c(c1)OC)OC 1626a_100102657272_100000187252 [0,1,0,0,0,0|1,0,0]=2 673 B16R1.4276 CNC(=O)CCc1ccc(c(c1)OC)OC 240690a_100102657272_100000187252 [0,1,0,0,0,0|1,0,0]=2 674 B16R1.4276 CNC(=O)CCc1ccc(c(c1)OC)OC 527a_100102657272_100000187252 [0,1,0,0,0,0|1,0,0]=2 675 B16R1.4276 CNC(=O)CNc1ccc(c(c1)OC)OC 34a_100000187404_100000183359 [0,1,0,0,0,0|2,0,0]=3 676 B16R1.4276 CNC(=O)COc1ccc(c(c1)OC)OC 34a_100000039706_100000183359 [0,1,0,0,0,0|2,0,0]=3 677 B16R1.4276 CNC(=O)CSc1ccc(c(c1)OC)OC 62a_100000183359_100011356967 [0,1,0,0,0,0|2,0,0]=3 678 B16R1.4276 CNC(=O)CSc1ccc(c(c1)OC)SC 62a_200011001119_100000183359 [0,1,0,0,0,0|2,1,0]=4 679 B16R1.4276 CNC(=O)CSc1ccc(c(c1)SC)OC 62a_200009892704_100000183359 [0,1,0,0,0,0|2,1,0]=4 680 B16R1.4276 CNC(=O)CSc1ccc(c(n1)OC)OC 62a_100000183359_100010214848 [0,1,0,0,0,0|3,0,0]=4 681 B16R1.4276 CNC(=O)CSc1cnc(c(c1)OC)OC 62a_100000183359_100010234541 [0,1,0,0,0,0|3,0,0]=4 682 B16R1.4276 CNC(=O)NCc1ccc(c(c1)OC)OC 2708a_100000185555_106832991635 [0,1,0,0,0,0|2,0,0]=3 683 B16R1.4276 CNC(=O)NCc1ccc(c(c1)OC)OC 2708a_100102657272_100000185555 [0,1,0,0,0,0|2,0,0]=3 684 B16R1.4276 CNC(=O)NCc1ccc(c(c1)OC)OC 273464a_100000185555_100102657272 [0,1,0,0,0,0|2,0,0]=3 685 B16R1.4276 CNC(=O)NCc1ccc(c(c1)OC)OC 273464a_100102657272_100000185555 [0,1,0,0,0,0|2,0,0]=3 686 B16R1.4276 CNC(=O)NCc1ccc(c(c1)OC)OC 512a_100000185555_100102657272 [0,1,0,0,0,0|2,0,0]=3 687 B16R1.4276 CNC(=O)NCc1ccc(c(c1)OC)OC 512a_106832991638_100000185555 [0,1,0,0,0,0|2,0,0]=3 688 B16R1.4276 CNC(=O)NNc1ccc(c(c1)OC)OC 273464a_100102657272_100000071703 [0,1,0,0,0,0|3,0,0]=4 689 B16R1.4276 CNC(=O)NNc1ccc(c(c1)OC)OC 512a_106832991638_100000071703 [0,1,0,0,0,0|3,0,0]=4 690 B16R1.4276 COC(=O)C=Cc1ccc(c(c1)OC)OC 34a_100000149373_200000210301 [0,1,0,0,0,0|0,0,2]=3 691 B16R1.4276 COC(=O)C=Cc1ccc(c(c1)OC)OC 34a_100000724557_200000210301 [0,1,0,0,0,0|0,0,2]=3 692 B16R1.4276 COC(=O)C=Cc1ccc(c(c1)OC)O[13CH3] 34a_100000149373_200025704644 [0,1,0,0,0,0|0,0,2]=3 693 B16R1.4276 COC(=O)C=Cc1ccc(c(c1)O[13CH3])OC 34a_100000724557_200025704644 [0,1,0,0,0,0|0,0,2]=3 694 B16R1.4276 COC(=O)CCc1ccc(c(c1)OC)OC 34a_100000056475_200000210301 [0,1,0,0,0,0|0,0,0]=1 695 B16R1.4276 COC(=O)CCc1ccc(c(c1)OC)OC 34a_100000070228_200000210301 [0,1,0,0,0,0|0,0,0]=1 696 B16R1.4276 COC(=O)CCc1ccc(c(c1)OC)OC 7a_100000056475_200000210301 [0,1,0,0,0,0|0,0,0]=1 697 B16R1.4276 COC(=O)CCc1ccc(c(c1)OC)OC 7a_100000070228_200000210301 [0,1,0,0,0,0|0,0,0]=1 698 B16R1.4276 COC(=O)CCc1ccc(c(c1)OC)O[13CH3] 34a_100000070228_200025704644 [0,1,0,0,0,0|0,0,0]=1 699 B16R1.4276 COC(=O)CCc1ccc(c(c1)OC)O[13CH3] 7a_100000070228_200025704644 [0,1,0,0,0,0|0,0,0]=1 700 B16R1.4276 COC(=O)CCc1ccc(c(c1)O[13CH3])OC 34a_100000056475_200025704644 [0,1,0,0,0,0|0,0,0]=1 701 B16R1.4276 COC(=O)CCc1ccc(c(c1)O[13CH3])OC 7a_100000056475_200025704644 [0,1,0,0,0,0|0,0,0]=1 702 B16R1.4276 COC(=O)CNc1ccc(c(c1)C#N)OC 34a_100011204338_100000747449 [0,1,0,0,0,0|3,0,0]=4 703 B16R1.4276 COC(=O)CNc1ccc(c(c1)C#N)OC 7a_100011204338_100000747449 [0,1,0,0,0,0|3,0,0]=4 704 B16R1.4276 COC(=O)CNc1ccc(c(c1)OC)C#N 34a_100011999456_100000747449 [0,1,0,0,0,0|3,0,0]=4 705 B16R1.4276 COC(=O)CNc1ccc(c(c1)OC)CO 34a_100012183141_100000747449 [0,1,0,0,0,0|3,0,0]=4 706 B16R1.4276 COC(=O)CNc1ccc(c(c1)OC)OC 34a_100000187404_100000747449 [0,1,0,0,0,0|1,0,0]=2 707 B16R1.4276 COC(=O)COc1ccc(c(c1)OC)CO 34a_200000116926_100000747449 [0,1,0,0,0,0|3,0,0]=4 708 B16R1.4276 COC(=O)COc1ccc(c(c1)OC)OC 34a_100000039706_100000747449 [0,1,0,0,0,0|1,0,0]=2 709 B16R1.4276 COC(=O)CSc1cc(c(nn1)OC)OC 62a_100000747449_200000095610 [0,1,0,0,0,0|3,0,0]=4 710 B16R1.4276 COC(=O)CSc1ccc(c(c1)C#N)OC 62a_100000747449_100000188252 [0,1,0,0,0,0|3,0,0]=4 711 B16R1.4276 COC(=O)CSc1ccc(c(c1)C=O)OC 62a_100000170026_100000747449 [0,1,0,0,0,0|3,0,0]=4 712 B16R1.4276 COC(=O)CSc1ccc(c(c1)C=O)OC 62a_100000747449_100000170026 [0,1,0,0,0,0|3,0,0]=4 713 B16R1.4276 COC(=O)CSc1ccc(c(c1)CN)OC 62a_100000690498_100000747449 [0,1,0,0,0,0|3,0,0]=4 714 B16R1.4276 COC(=O)CSc1ccc(c(c1)CN)OC 62a_100000747449_100000690498 [0,1,0,0,0,0|3,0,0]=4 715 B16R1.4276 COC(=O)CSc1ccc(c(c1)CO)OC 62a_100000204679_100000747449 [0,1,0,0,0,0|3,0,0]=4 716 B16R1.4276 COC(=O)CSc1ccc(c(c1)CO)OC 62a_100000747449_100000204679 [0,1,0,0,0,0|3,0,0]=4 717 B16R1.4276 COC(=O)CSc1ccc(c(c1)OC)C#N 62a_100000747449_100000694671 [0,1,0,0,0,0|3,0,0]=4 718 B16R1.4276 COC(=O)CSc1ccc(c(c1)OC)C=O 62a_100000697075_100000747449 [0,1,0,0,0,0|3,0,0]=4 719 B16R1.4276 COC(=O)CSc1ccc(c(c1)OC)C=O 62a_100000747449_100010290300 [0,1,0,0,0,0|3,0,0]=4 720 B16R1.4276 COC(=O)CSc1ccc(c(c1)OC)CO 62a_100000747449_100011277633 [0,1,0,0,0,0|3,0,0]=4 721 B16R1.4276 COC(=O)CSc1ccc(c(c1)OC)CO 62a_100011277633_100000747449 [0,1,0,0,0,0|3,0,0]=4 722 B16R1.4276 COC(=O)CSc1ccc(c(c1)OC)OC 62a_100000747449_100011356967 [0,1,0,0,0,0|1,0,0]=2 723 B16R1.4276 COC(=O)CSc1ccc(c(c1)OC)SC 62a_200011001119_100000747449 [0,1,0,0,0,0|1,1,0]=3 724 B16R1.4276 COC(=O)CSc1ccc(c(c1)SC)OC 62a_200009892704_100000747449 [0,1,0,0,0,0|1,1,0]=3 725 B16R1.4276 COC(=O)CSc1ccc(c(n1)OC)OC 62a_100000747449_100010214848 [0,1,0,0,0,0|2,0,0]=3 726 B16R1.4276 COC(=O)CSc1cnc(c(c1)OC)OC 62a_100000747449_100010234541 [0,1,0,0,0,0|2,0,0]=3 727 B16R1.4276 COC(=O)CSc1cnc(c(n1)OC)OC 62a_100000747449_100010132954 [0,1,0,0,0,0|3,0,0]=4 728 B16R1.4276 COC(=O)CSc1cnc(c(n1)OC)OC 62a_100010132954_100000747449 [0,1,0,0,0,0|3,0,0]=4 729 B16R1.4276 COC(=O)CSc1ncc(c(n1)OC)OC 62a_100000747449_100010280452 [0,1,0,0,0,0|3,0,0]=4 730 B16R1.4276 COc1ccc(cc1OC)C=CC(=O)CF 1458a_100015194992_100015361967 [0,1,0,0,0,0|1,0,2]=4 731 B16R1.4276 COc1ccc(cc1OC)CCC(=O)CF 1458a_100000187252_100015361967 [0,1,0,0,0,0|1,0,0]=2 732 B16R1.4276 COc1ccc(cc1OC)CCC(=O)CO 1458a_100000210174_100011740610 [0,1,0,0,0,0|0,0,0]=1 733 B16R1.4276 COc1ccc(cc1OC)CCN(C)CF 269982a_100000211294_100015361967 [0,1,0,0,0,0|3,0,0]=4 734 B16R1.4276 COc1ccc(cc1OC)CNC(=O)CO 240690a_100000185555_100000210174 [0,1,0,0,0,0|1,0,0]=2 735 B16R1.4276 COc1ccc(cc1OC)CNC(=O)CO 527a_100000185555_100000210174 [0,1,0,0,0,0|1,0,0]=2 736 B16R1.4276 COc1ccc(cc1OC)CNC(C)CO 34a_100000185555_100012180447 [0,1,0,0,0,0|2,0,1]=4 737 B16R1.4276 COc1ccc(cc1OC)CN[C@H](C)CO 207a_100000737577_100000170513 [0,1,0,0,0,0|2,0,1]=4 738 B16R1.4276 COc1ccc(cc1OC)CN[C@H](C)CO 2230a_100000737577_100011233839 [0,1,0,0,0,0|2,0,1]=4 739 B16R1.4276 COc1ccc(cc1OC)CN[C@H](C)CO 270004a_100000737577_100000170513 [0,1,0,0,0,0|2,0,1]=4 740 B16R1.4276 COc1ccc(cc1OC)COC(C)CO 34a_100000210929_100012180447 [0,1,0,0,0,0|2,0,1]=4 741 B16R1.4276 COc1ccc(cc1OC)CSC(C)CO 62a_100012180447_100011233839 [0,1,0,0,0,0|2,0,1]=4 742 B16R1.4276 COc1ccc(cc1OC)CSC(C)OC 62a_100009879195_100011233839 [0,1,0,0,0,0|2,0,1]=4 743 B16R1.4276 COc1ccc(cc1OC)CS[C@H](C)CO 62a_100016084084_100011233839 [0,1,0,0,0,0|2,0,1]=4 744 B16R1.4276 COc1ccc(cc1OC)NCC(O)CO 34a_100000187404_100011219619 [0,1,0,0,0,0|1,0,2]=4 745 B16R1.4276 COc1ccc(cc1OC)NC[C@@H](C)CO 34a_100000187404_100000059175 [0,1,0,0,0,0|2,0,1]=4 746 B16R1.4276 COc1ccc(cc1OC)NC[C@@H](O)CF 34a_100000187404_100015614560 [0,1,0,0,0,0|2,0,1]=4 747 B16R1.4276 COc1ccc(cc1OC)NC[C@@H](O)CO 34a_100000187404_100009815848 [0,1,0,0,0,0|1,0,2]=4 748 B16R1.4276 COc1ccc(cc1OC)NN=C(C)CO 4a_100000071703_100000211253 [0,1,0,0,0,0|3,0,0]=4 749 B16R1.4276 COc1ccc(cc1OC)OCC(O)CO 34a_100000039706_100011219619 [0,1,0,0,0,0|1,0,2]=4 750 B16R1.4276 COc1ccc(cc1OC)OC[C@@H](C)CO 34a_100000039706_100000059175 [0,1,0,0,0,0|2,0,1]=4 751 B16R1.4276 COc1ccc(cc1OC)OC[C@@H](O)CF 34a_100000039706_100015614560 [0,1,0,0,0,0|2,0,1]=4 752 B16R1.4276 COc1ccc(cc1OC)OC[C@@H](O)CO 34a_100000039706_100009815848 [0,1,0,0,0,0|1,0,2]=4 753 B16R1.4276 COc1ccc(cc1OC)SCC(O)CO 62a_100011219619_100011356967 [0,1,0,0,0,0|1,0,2]=4 754 B16R1.4276 COc1ccc(cc1OC)SC[C@@H](C)CO 62a_100000059175_100011356967 [0,1,0,0,0,0|2,0,1]=4 755 B16R1.4276 COc1ccc(cc1OC)SC[C@@H](O)CF 62a_100015614560_100011356967 [0,1,0,0,0,0|2,0,1]=4 756 B16R1.4276 COc1ccc(cc1OC)SC[C@@H](O)CO 62a_100009815848_100011356967 [0,1,0,0,0,0|1,0,2]=4 757 B16R1.4746 COc1cc(ccc1C(=O)C)OCC(=O)N 34a_100000116857_100000187820 [0,1,0,0,0,0|3,0,0]=4 758 B16R1.4746 COc1cc(ccc1C(=O)C)OCC(=O)N 7a_100000116857_100000187820 [0,1,0,0,0,0|3,0,0]=4 759 B16R1.4746 COc1cc(ccc1C(=O)C)OCC(=O)[O-] 34a_100000116857_100020667443 [0,1,0,0,0,0|2,0,1]=4 760 B16R1.4746 COc1cc(ccc1C(=O)C)SCC(=O)N 62a_100000709911_100000747473 [0,1,0,0,0,0|3,0,0]=4 761 B16R1.4746 COc1cc(ccc1C(=O)C)SCC(=O)[O-] 62a_100000709911_100020667443 [0,1,0,0,0,0|2,0,1]=4 762 B16R1.9381 C=C(C)CNc1ccc(c(c1)OC)OCC 2230a_100000184985_100000748629 [0,1,0,0,0,0|3,0,0]=4 763 B16R1.9381 C=C(C)CNc1ccc(c(c1)OC)OCC 34a_100000184985_100000748629 [0,1,0,0,0,0|3,0,0]=4 764 B16R1.9381 C=C(F)CNc1ccc(c(c1)OC)OCC 2230a_100000184985_100009893438 [0,1,0,0,0,0|3,0,0]=4 765 B16R1.9381 C=C(F)CNc1ccc(c(c1)OC)OCC 34a_100000184985_100009893438 [0,1,0,0,0,0|3,0,0]=4 766 B16R1.9381 CCOc1ccc(cc1CC)SCC(=O)N 62a_100000747473_200010070707 [0,1,0,0,0,0|3,0,0]=4 767 B16R1.9381 CCOc1ccc(cc1CC)SCC(=O)N 62a_200010070707_100000747473 [0,1,0,0,0,0|3,0,0]=4 768 B16R1.9381 CCOc1ccc(cc1CC)SCC(=O)[O-] 62a_100020667443_200010070707 [0,1,0,0,0,0|2,0,1]=4 769 B16R1.9381 CCOc1ccc(cc1CC)SCC(=O)[O-] 62a_200010070707_100020667443 [0,1,0,0,0,0|2,0,1]=4 770 B16R1.9381 CCOc1ccc(cc1OC)/C=C/C(=O)C 34a_100102526088_100000210202 [0,1,0,0,0,0|1,0,2]=4 771 B16R1.9381 CCOc1ccc(cc1OC)C=CC(=O)C 1458a_100000179813_200000210301 [0,1,0,0,0,0|1,0,2]=4 772 B16R1.9381 CCOc1ccc(cc1OC)C=CC(=O)[13CH3] 1458a_100000179813_200025704644 [0,1,0,0,0,0|1,0,2]=4 773 B16R1.9381 CCOc1ccc(cc1OC)CCC(=O)C 34a_100011290831_100000210202 [0,1,0,0,0,0|1,0,0]=2 774 B16R1.9381 CCOc1ccc(cc1OC)CCC(=O)C 7a_100011290831_100000210202 [0,1,0,0,0,0|1,0,0]=2 775 B16R1.9381 CCOc1ccc(cc1OC)CC[N+](=O)[O-] 34a_100000080128_100000210202 [0,1,0,0,0,0|1,0,1]=3 776 B16R1.9381 CCOc1ccc(cc1OC)CC[N+](=O)[O-] 7a_100000080128_100000210202 [0,1,0,0,0,0|1,0,1]=3 777 B16R1.9381 CCOc1ccc(cc1OC)CNC(=O)C 11a_200000739100_100015343762 [0,1,0,0,0,0|2,0,0]=3 778 B16R1.9381 CCOc1ccc(cc1OC)CNC(=O)C 1626a_200000739100_100015343762 [0,1,0,0,0,0|2,0,0]=3 779 B16R1.9381 CCOc1ccc(cc1OC)CNC(=O)C 240690a_200000739100_100015343762 [0,1,0,0,0,0|2,0,0]=3 780 B16R1.9381 CCOc1ccc(cc1OC)CNC(=O)C 34a_100000046322_100000210202 [0,1,0,0,0,0|2,0,0]=3 781 B16R1.9381 CCOc1ccc(cc1OC)CNC(=O)C 527a_200000739100_100103153847 [0,1,0,0,0,0|2,0,0]=3 782 B16R1.9381 CCOc1ccc(cc1OC)CNC(=O)C 7a_100000046322_100000210202 [0,1,0,0,0,0|2,0,0]=3 783 B16R1.9381 CCOc1ccc(cc1OC)NCC(=O)N 2230a_100000184985_100000747473 [0,1,0,0,0,0|2,0,0]=3 784 B16R1.9381 CCOc1ccc(cc1OC)NCC(=O)N 34a_100000184985_100000187820 [0,1,0,0,0,0|2,0,0]=3 785 B16R1.9381 CCOc1ccc(cc1OC)NCC(=O)[O-] 34a_100000184985_100020667443 [0,1,0,0,0,0|1,0,1]=3 786 B16R1.9381 CCOc1ccc(cc1OC)NCC(C)O 2230a_100000184985_100011218427 [0,1,0,0,0,0|2,0,1]=4 787 B16R1.9381 CCOc1ccc(cc1OC)NCC(C)O 34a_100000184985_100011218427 [0,1,0,0,0,0|2,0,1]=4 788 B16R1.9381 CCOc1ccc(cc1OC)NC[C@@H](C)O 2230a_100000184985_100009817552 [0,1,0,0,0,0|2,0,1]=4 789 B16R1.9381 CCOc1ccc(cc1OC)NC[C@@H](C)O 34a_100000184985_100009817552 [0,1,0,0,0,0|2,0,1]=4 790 B16R1.9381 CCOc1ccc(cc1OC)NC[N+](=O)[O-] 34a_100000184985_100000761209 [0,1,0,0,0,0|2,0,1]=4 791 B16R1.9381 CCOc1ncc(cc1OC)SCC(=O)N 62a_100000747473_200010116856 [0,1,0,0,0,0|3,0,0]=4 792 B16R1.9381 CCOc1ncc(cc1OC)SCC(=O)[O-] 62a_100020667443_200010116856 [0,1,0,0,0,0|2,0,1]=4 793 B16R1.9381 COc1cc(ccc1OCF)/C=C/C(=O)C 34a_100102526088_100015361967 [0,1,0,0,0,0|1,0,2]=4 794 B16R1.9381 COc1cc(ccc1OCF)CCC(=O)C 34a_100011290831_100015361967 [0,1,0,0,0,0|1,0,0]=2 795 B16R1.9381 COc1cc(ccc1OCF)CCC(=O)C 7a_100011290831_100015361967 [0,1,0,0,0,0|1,0,0]=2 796 B16R1.9381 COc1cc(ccc1OCF)CC[N+](=O)[O-] 34a_100000080128_100015361967 [0,1,0,0,0,0|1,0,1]=3 797 B16R1.9381 COc1cc(ccc1OCF)CC[N+](=O)[O-] 7a_100000080128_100015361967 [0,1,0,0,0,0|1,0,1]=3 798 B16R1.9381 COc1cc(ccc1OCF)CNC(=O)C 34a_100000046322_100015361967 [0,1,0,0,0,0|2,0,0]=3 799 B16R1.9381 COc1cc(ccc1OCF)CNC(=O)C 7a_100000046322_100015361967 [0,1,0,0,0,0|2,0,0]=3 800 B16R1.10273 C=C(C)CSc1ccc(c(c1)COC)OC 62a_100000748629_200011493686 [0,1,0,0,0,0|3,0,0]=4 801 B16R1.10273 C=C(C)CSc1ccc(c(c1)COC)OC 62a_200011493686_100000211660 [0,1,0,0,0,0|3,0,0]=4 802 B16R1.10273 C=C(F)CSc1ccc(c(c1)COC)OC 62a_100000042424_200011493686 [0,1,0,0,0,0|3,0,0]=4 803 B16R1.10273 C=C(F)CSc1ccc(c(c1)COC)OC 62a_200011493686_100000042424 [0,1,0,0,0,0|3,0,0]=4 804 B16R1.10273 CCOc1cc(ccc1OC)C=CC(=O)C 1458a_100000184759_200000210301 [0,1,0,0,0,0|1,0,2]=4 805 B16R1.10273 CCOc1cc(ccc1OC)C=CC(=O)[13CH3] 1458a_100000184759_200025704644 [0,1,0,0,0,0|1,0,2]=4 806 B16R1.10273 CCOc1cc(ccc1OC)CCC(=O)C 1458a_200011356518_200000210301 [0,1,0,0,0,0|1,0,0]=2 807 B16R1.10273 CCOc1cc(ccc1OC)CCC(=O)[13CH3] 1458a_200011356518_200025704644 [0,1,0,0,0,0|1,0,0]=2 808 B16R1.10273 CCOc1cc(ccc1OC)CCC(C)O 34a_100012377587_200000210301 [0,1,0,0,0,0|1,0,1]=3 809 B16R1.10273 CCOc1cc(ccc1OC)CCC(C)O 7a_100012377587_200000210301 [0,1,0,0,0,0|1,0,1]=3 810 B16R1.10273 CCOc1cc(ccc1OC)CC[N+](=O)[O-] 34a_200000077489_100000210202 [0,1,0,0,0,0|1,0,1]=3 811 B16R1.10273 CCOc1cc(ccc1OC)CC[N+](=O)[O-] 7a_200000077489_100000210202 [0,1,0,0,0,0|1,0,1]=3 812 B16R1.10273 CCOc1cc(ccc1OC)CNC(=O)C 11a_100000755831_100015343762 [0,1,0,0,0,0|2,0,0]=3 813 B16R1.10273 CCOc1cc(ccc1OC)CNC(=O)C 1626a_100000755831_100015343762 [0,1,0,0,0,0|2,0,0]=3 814 B16R1.10273 CCOc1cc(ccc1OC)CNC(=O)C 240690a_100000755831_100015343762 [0,1,0,0,0,0|2,0,0]=3 815 B16R1.10273 CCOc1cc(ccc1OC)CNC(=O)C 527a_100000755831_100103153847 [0,1,0,0,0,0|2,0,0]=3 816 B16R1.10273 CCOc1cc(ccc1O[13CH3])CCC(C)O 34a_100012377587_200025704644 [0,1,0,0,0,0|1,0,1]=3 817 B16R1.10273 CCOc1cc(ccc1O[13CH3])CCC(C)O 7a_100012377587_200025704644 [0,1,0,0,0,0|1,0,1]=3 818 B16R1.10273 CNCc1cc(ccc1OC)SCC(=O)N 62a_100000690607_100000747473 [0,1,0,0,0,0|3,0,0]=4 819 B16R1.10273 CNCc1cc(ccc1OC)SCC(=O)N 62a_100000747473_100000690607 [0,1,0,0,0,0|3,0,0]=4 820 B16R1.10273 CNCc1cc(ccc1OC)SCC(=O)[O-] 62a_100000690607_100020667443 [0,1,0,0,0,0|2,0,1]=4 821 B16R1.10273 CNCc1cc(ccc1OC)SCC(=O)[O-] 62a_100020667443_100000690607 [0,1,0,0,0,0|2,0,1]=4 822 B16R1.10273 COCc1cc(ccc1OC)SCC(=O)N 62a_100000747473_200011493686 [0,1,0,0,0,0|2,0,0]=3 823 B16R1.10273 COCc1cc(ccc1OC)SCC(=O)N 62a_200011493686_100000747473 [0,1,0,0,0,0|2,0,0]=3 824 B16R1.10273 COCc1cc(ccc1OC)SCC(=O)[O-] 62a_100020667443_200011493686 [0,1,0,0,0,0|1,0,1]=3 825 B16R1.10273 COCc1cc(ccc1OC)SCC(=O)[O-] 62a_200011493686_100020667443 [0,1,0,0,0,0|1,0,1]=3 826 B16R1.10273 COCc1cc(ccc1OC)SCC(C)O 62a_100011218427_200011493686 [0,1,0,0,0,0|2,0,1]=4 827 B16R1.10273 COCc1cc(ccc1OC)SCC(C)O 62a_200011493686_100011218427 [0,1,0,0,0,0|2,0,1]=4 828 B16R1.10273 COCc1cc(ccc1OC)SC[C@@H](C)O 62a_100009817552_200011493686 [0,1,0,0,0,0|2,0,1]=4 829 B16R1.10273 COCc1cc(ccc1OC)SC[C@@H](C)O 62a_200011493686_100009817552 [0,1,0,0,0,0|2,0,1]=4 830 B16R1.10273 COCc1cc(ccc1OC)SC[N+](=O)[O-] 62a_200011493686_100000761209 [0,1,0,0,0,0|2,0,1]=4 831 B16R1.10273 COc1ccc(cc1CCN)SCC(=O)N 62a_100000747473_100000763266 [0,1,0,0,0,0|3,0,0]=4 832 B16R1.10273 COc1ccc(cc1CCN)SCC(=O)N 62a_100000763266_100000747473 [0,1,0,0,0,0|3,0,0]=4 833 B16R1.10273 COc1ccc(cc1CCN)SCC(=O)[O-] 62a_100000763266_100020667443 [0,1,0,0,0,0|2,0,1]=4 834 B16R1.10273 COc1ccc(cc1CCN)SCC(=O)[O-] 62a_100020667443_100000763266 [0,1,0,0,0,0|2,0,1]=4 835 B16R1.10273 COc1ccc(cc1OCF)CC[N+](=O)[O-] 34a_200000077489_100015361967 [0,1,0,0,0,0|1,0,1]=3 836 B16R1.10273 COc1ccc(cc1OCF)CC[N+](=O)[O-] 7a_200000077489_100015361967 [0,1,0,0,0,0|1,0,1]=3 837 B16R1.20040 C=C(C)CNc1cc(c(cc1C)OC)OC 34a_100000183460_100000748629 [0,1,0,0,0,0|3,0,0]=4 838 B16R1.20040 C=C(C)CNc1cc(c(cc1F)OC)OC 34a_100000753170_100000748629 [0,1,0,0,0,0|3,0,0]=4 839 B16R1.20040 C=C(C)CSc1cc(c(cc1F)OC)OC 62a_200011765842_100000211660 [0,1,0,0,0,0|3,0,0]=4 840 B16R1.20040 C=C(F)CNc1cc(c(cc1C)OC)OC 34a_100000183460_100009893438 [0,1,0,0,0,0|3,0,0]=4 841 B16R1.20040 C=C(F)CNc1cc(c(cc1F)OC)OC 34a_100000753170_100009893438 [0,1,0,0,0,0|3,0,0]=4 842 B16R1.20040 C=C(F)CSc1cc(c(cc1F)OC)OC 62a_200011765842_100000042424 [0,1,0,0,0,0|3,0,0]=4 843 B16R1.20040 COc1cc(c(cc1OC)C=CC(=O)C)Br 1458a_200000186731_200000210301 [0,1,0,0,0,0|1,0,2]=4 844 B16R1.20040 COc1cc(c(cc1OC)C=CC(=O)[13CH3])Br 1458a_200000186731_200025704644 [0,1,0,0,0,0|1,0,2]=4 845 B16R1.20040 COc1cc(c(cc1OC)CNC(=O)C)F 11a_100132302102_100015343762 [0,1,0,0,0,0|2,0,0]=3 846 B16R1.20040 COc1cc(c(cc1OC)CNC(=O)C)F 1626a_100132302102_100015343762 [0,1,0,0,0,0|2,0,0]=3 847 B16R1.20040 COc1cc(c(cc1OC)CNC(=O)C)F 240690a_100132302102_100015343762 [0,1,0,0,0,0|2,0,0]=3 848 B16R1.20040 COc1cc(c(cc1OC)CNC(=O)C)F 527a_100132302102_100103153847 [0,1,0,0,0,0|2,0,0]=3 849 B16R1.20040 COc1cc(c(cc1OC)NCC(=O)N)C 34a_100000183460_100000187820 [0,1,0,0,0,0|2,0,0]=3 850 B16R1.20040 COc1cc(c(cc1OC)NCC(=O)N)F 34a_100000753170_100000187820 [0,1,0,0,0,0|2,0,0]=3 851 B16R1.20040 COc1cc(c(cc1OC)NCC(=O)[O-])C 34a_100000183460_100020667443 [0,1,0,0,0,0|1,0,1]=3 852 B16R1.20040 COc1cc(c(cc1OC)NCC(=O)[O-])F 34a_100000753170_100020667443 [0,1,0,0,0,0|1,0,1]=3 853 B16R1.20040 COc1cc(c(cc1OC)NCC(C)O)C 34a_100000183460_100011218427 [0,1,0,0,0,0|2,0,1]=4 854 B16R1.20040 COc1cc(c(cc1OC)NCC(C)O)F 34a_100000753170_100011218427 [0,1,0,0,0,0|2,0,1]=4 855 B16R1.20040 COc1cc(c(cc1OC)NC[C@@H](C)O)C 34a_100000183460_100009817552 [0,1,0,0,0,0|2,0,1]=4 856 B16R1.20040 COc1cc(c(cc1OC)NC[C@@H](C)O)F 34a_100000753170_100009817552 [0,1,0,0,0,0|2,0,1]=4 857 B16R1.20040 COc1cc(c(cc1OC)NC[N+](=O)[O-])C 34a_100000183460_100000761209 [0,1,0,0,0,0|2,0,1]=4 858 B16R1.20040 COc1cc(c(cc1OC)NC[N+](=O)[O-])F 34a_100000753170_100000761209 [0,1,0,0,0,0|2,0,1]=4 859 B16R1.20040 COc1cc(c(cc1OC)SCC(=O)N)F 62a_200011765842_100000747473 [0,1,0,0,0,0|2,0,0]=3 860 B16R1.20040 COc1cc(c(cc1OC)SCC(=O)[O-])F 62a_200011765842_100020667443 [0,1,0,0,0,0|1,0,1]=3 861 B16R1.20040 COc1cc(c(cc1OC)SCC(C)O)F 62a_200011765842_100011218427 [0,1,0,0,0,0|2,0,1]=4 862 B16R1.20040 COc1cc(c(cc1OC)SC[C@@H](C)O)F 62a_200011765842_100009817552 [0,1,0,0,0,0|2,0,1]=4 863 B16R1.20040 COc1cc(c(cc1OC)SC[N+](=O)[O-])F 62a_200011765842_100000761209 [0,1,0,0,0,0|2,0,1]=4 864 B16R1.20040 COc1cc(c(nc1OC)SCC(=O)N)C 62a_100000747473_200011016175 [0,1,0,0,0,0|3,0,0]=4 865 B16R1.20040 COc1cc(c(nc1OC)SCC(=O)[O-])C 62a_100020667443_200011016175 [0,1,0,0,0,0|2,0,1]=4 866 B16R1.20127 C=C(C)CSc1ccc(c(c1C)OC)OC 62a_100000748629_100010000156 [0,1,0,0,0,0|3,0,0]=4 867 B16R1.20127 C=C(F)CSc1ccc(c(c1C)OC)OC 62a_100000042424_100010000156 [0,1,0,0,0,0|3,0,0]=4 868 B16R1.20127 COc1ccc(c(c1OC)C)CCC(=O)C 1458a_200010008019_200000210301 [0,1,0,0,0,0|1,0,0]=2 869 B16R1.20127 COc1ccc(c(c1OC)C)CCC(=O)[13CH3] 1458a_200010008019_200025704644 [0,1,0,0,0,0|1,0,0]=2 870 B16R1.20127 COc1ccc(c(c1OC)C)SCC(=O)N 62a_100000747473_100010000156 [0,1,0,0,0,0|2,0,0]=3 871 B16R1.20127 COc1ccc(c(c1OC)C)SCC(=O)[O-] 62a_100020667443_100010000156 [0,1,0,0,0,0|1,0,1]=3 872 B16R1.20127 COc1ccc(c(c1OC)C)SCC(C)O 62a_100011218427_100010000156 [0,1,0,0,0,0|2,0,1]=4 873 B16R1.20127 COc1ccc(c(c1OC)C)SC[C@@H](C)O 62a_100009817552_100010000156 [0,1,0,0,0,0|2,0,1]=4 874 B16R1.20127 COc1ccc(c(c1OC)Cl)C=CC(=O)C 1458a_200020587463_200000210301 [0,1,0,0,0,0|1,0,2]=4 875 B16R1.20127 COc1ccc(c(c1OC)Cl)C=CC(=O)[13CH3] 1458a_200020587463_200025704644 [0,1,0,0,0,0|1,0,2]=4 876 B16R1.20127 COc1ccc(c(c1OC)Cl)CNC(=O)C 11a_102515433231_100015343762 [0,1,0,0,0,0|2,0,0]=3 877 B16R1.20127 COc1ccc(c(c1OC)Cl)CNC(=O)C 1626a_102515433231_100015343762 [0,1,0,0,0,0|2,0,0]=3 878 B16R1.20127 COc1ccc(c(c1OC)Cl)CNC(=O)C 240690a_102515433231_100015343762 [0,1,0,0,0,0|2,0,0]=3 879 B16R1.20127 COc1ccc(c(c1OC)Cl)CNC(=O)C 527a_102515433231_100103153847 [0,1,0,0,0,0|2,0,0]=3 880 B16R1.84799 COc1ccc(cc1OC)CNS(=O)(=O)C 40a_100000185555_100000738038 [0,1,0,0,0,0|2,0,1]=4 881 B16R1.84799 COc1ccc(cc1OC)NCC(C)(C)O 34a_100000187404_100000764493 [0,1,0,0,0,0|2,0,1]=4 882 B16R1.84799 COc1ccc(cc1OC)NCS(=O)(=O)[O-] 34a_100000187404_100009817235 [0,1,0,0,0,0|2,0,1]=4 883 B16R1.84799 COc1ccc(cc1OC)OCC(C)(C)O 34a_100000039706_100000764493 [0,1,0,0,0,0|2,0,1]=4 884 B16R1.84799 COc1ccc(cc1OC)OCS(=O)(=O)[O-] 34a_100000039706_100009817235 [0,1,0,0,0,0|2,0,1]=4 885 B16R1.84799 COc1ccc(cc1OC)SCC(C)(C)O 62a_100000764493_100011356967 [0,1,0,0,0,0|2,0,1]=4 886 B16R1.84799 COc1ccc(cc1OC)SCS(=O)(=O)N 62a_100000741382_100011356967 [0,1,0,0,0,0|2,0,1]=4 887 B16R1.84799 COc1ccc(cc1OC)SCS(=O)(=O)[O-] 62a_100009817235_100011356967 [0,1,0,0,0,0|2,0,1]=4 888 B16R2.477 C=C(C)CNc1ccc2c(c1)OCCO2 2230a_100020630400_100000748629 [0,0,0,1,0,0|3,0,0]=4 889 B16R2.477 C=C(C)CNc1ccc2c(c1)OCCO2 34a_100020630400_100000748629 [0,0,0,1,0,0|3,0,0]=4 890 B16R2.477 C=C(C)COc1ccc2c(c1)OCCO2 34a_100000234341_100000748629 [0,0,0,1,0,0|3,0,0]=4 891 B16R2.477 C=C(C)CSc1ccc2c(c1)OCCO2 62a_100000748629_100011216881 [0,0,0,1,0,0|3,0,0]=4 892 B16R2.477 C=C(C)CSc1ccc2c(c1)OCCO2 62a_100011216881_100000211660 [0,0,0,1,0,0|3,0,0]=4 893 B16R2.477 C=C(F)CNc1ccc2c(c1)OCCO2 2230a_100020630400_100009893438 [0,0,0,1,0,0|3,0,0]=4 894 B16R2.477 C=C(F)CNc1ccc2c(c1)OCCO2 34a_100020630400_100009893438 [0,0,0,1,0,0|3,0,0]=4 895 B16R2.477 C=C(F)COc1ccc2c(c1)OCCO2 34a_100000234341_100009893438 [0,0,0,1,0,0|3,0,0]=4 896 B16R2.477 C=C(F)CSc1ccc2c(c1)OCCO2 62a_100000042424_100011216881 [0,0,0,1,0,0|3,0,0]=4 897 B16R2.477 C=C(F)CSc1ccc2c(c1)OCCO2 62a_100011216881_100000042424 [0,0,0,1,0,0|3,0,0]=4 898 B16R2.477 CC(=O)C=Cc1ccc2c(c1)OCCO2 1458a_100000179788_200000210301 [0,0,0,1,0,0|1,0,2]=4 899 B16R2.477 CC(=O)CSc1ccc2c(c1)OCCO2 1458a_100000179515_200000210301 [0,0,0,1,0,0|2,0,0]=3 900 B16R2.477 CC(=O)NCc1ccc2c(c1)OCCO2 11a_100000684186_100015343762 [0,0,0,1,0,0|2,0,0]=3 901 B16R2.477 CC(=O)NCc1ccc2c(c1)OCCO2 1626a_100000684186_100015343762 [0,0,0,1,0,0|2,0,0]=3 902 B16R2.477 CC(=O)NCc1ccc2c(c1)OCCO2 240690a_100000684186_100015343762 [0,0,0,1,0,0|2,0,0]=3 903 B16R2.477 CC(=O)NCc1ccc2c(c1)OCCO2 527a_100000684186_100103153847 [0,0,0,1,0,0|2,0,0]=3 904 B16R2.477 CC(O)CNc1ccc2c(c1)OCCO2 2230a_100020630400_100011218427 [0,0,0,1,0,0|2,0,1]=4 905 B16R2.477 CC(O)CNc1ccc2c(c1)OCCO2 34a_100020630400_100011218427 [0,0,0,1,0,0|2,0,1]=4 906 B16R2.477 CC(O)COc1ccc2c(c1)OCCO2 34a_100000234341_100011218427 [0,0,0,1,0,0|2,0,1]=4 907 B16R2.477 CC(O)CSc1ccc2c(c1)OCCO2 62a_100011216881_100011218427 [0,0,0,1,0,0|2,0,1]=4 908 B16R2.477 CC(O)CSc1ccc2c(c1)OCCO2 62a_100011218427_100011216881 [0,0,0,1,0,0|2,0,1]=4 909 B16R2.477 C[C@@H](O)CNc1ccc2c(c1)OCCO2 2230a_100020630400_100009817552 [0,0,0,1,0,0|2,0,1]=4 910 B16R2.477 C[C@@H](O)CNc1ccc2c(c1)OCCO2 34a_100020630400_100009817552 [0,0,0,1,0,0|2,0,1]=4 911 B16R2.477 C[C@@H](O)COc1ccc2c(c1)OCCO2 34a_100000234341_100009817552 [0,0,0,1,0,0|2,0,1]=4 912 B16R2.477 C[C@@H](O)CSc1ccc2c(c1)OCCO2 62a_100009817552_100011216881 [0,0,0,1,0,0|2,0,1]=4 913 B16R2.477 C[C@@H](O)CSc1ccc2c(c1)OCCO2 62a_100011216881_100009817552 [0,0,0,1,0,0|2,0,1]=4 914 B16R2.477 NC(=O)CNc1ccc2c(c1)CCCO2 2230a_100138412508_100000747473 [0,0,0,1,0,0|3,0,0]=4 915 B16R2.477 NC(=O)CNc1ccc2c(c1)CCCO2 34a_100138412508_100000187820 [0,0,0,1,0,0|3,0,0]=4 916 B16R2.477 NC(=O)CNc1ccc2c(c1)OCCO2 2230a_100020630400_100000747473 [0,0,0,1,0,0|2,0,0]=3 917 B16R2.477 NC(=O)CNc1ccc2c(c1)OCCO2 34a_100020630400_100000187820 [0,0,0,1,0,0|2,0,0]=3 918 B16R2.477 NC(=O)COc1ccc2c(c1)NCCO2 34a_100020636358_100000187820 [0,0,0,1,0,0|3,0,0]=4 919 B16R2.477 NC(=O)COc1ccc2c(c1)OCCO2 34a_100000234341_100000187820 [0,0,0,1,0,0|2,0,0]=3 920 B16R2.477 NC(=O)CSc1ccc2c(c1)CCCO2 62a_100000747473_100011393166 [0,0,0,1,0,0|3,0,0]=4 921 B16R2.477 NC(=O)CSc1ccc2c(c1)CCCO2 62a_100011393166_100000747473 [0,0,0,1,0,0|3,0,0]=4 922 B16R2.477 NC(=O)CSc1ccc2c(c1)NCCO2 62a_100000747473_100000708519 [0,0,0,1,0,0|3,0,0]=4 923 B16R2.477 NC(=O)CSc1ccc2c(c1)OCCC2 62a_100000747473_100010700467 [0,0,0,1,0,0|3,0,0]=4 924 B16R2.477 NC(=O)CSc1ccc2c(c1)OCCC2 62a_100010700467_100000747473 [0,0,0,1,0,0|3,0,0]=4 925 B16R2.477 NC(=O)CSc1ccc2c(c1)OCCN2 62a_100000747473_100012355470 [0,0,0,1,0,0|3,0,0]=4 926 B16R2.477 NC(=O)CSc1ccc2c(c1)OCCO2 62a_100000747473_100011216881 [0,0,0,1,0,0|2,0,0]=3 927 B16R2.477 NC(=O)CSc1ccc2c(c1)OCCO2 62a_100011216881_100000747473 [0,0,0,1,0,0|2,0,0]=3 928 B16R2.477 O=C([O-])CNc1ccc2c(c1)CCCO2 34a_100138412508_100020667443 [0,0,0,1,0,0|2,0,1]=4 929 B16R2.477 O=C([O-])CNc1ccc2c(c1)OCCO2 34a_100020630400_100020667443 [0,0,0,1,0,0|1,0,1]=3 930 B16R2.477 O=C([O-])COc1ccc2c(c1)NCCO2 34a_100020636358_100020667443 [0,0,0,1,0,0|2,0,1]=4 931 B16R2.477 O=C([O-])COc1ccc2c(c1)OCCO2 34a_100000234341_100020667443 [0,0,0,1,0,0|1,0,1]=3 932 B16R2.477 O=C([O-])CSc1ccc2c(c1)CCCO2 62a_100011393166_100020667443 [0,0,0,1,0,0|2,0,1]=4 933 B16R2.477 O=C([O-])CSc1ccc2c(c1)CCCO2 62a_100020667443_100011393166 [0,0,0,1,0,0|2,0,1]=4 934 B16R2.477 O=C([O-])CSc1ccc2c(c1)NCCO2 62a_100020667443_100000708519 [0,0,0,1,0,0|2,0,1]=4 935 B16R2.477 O=C([O-])CSc1ccc2c(c1)OCCC2 62a_100010700467_100020667443 [0,0,0,1,0,0|2,0,1]=4 936 B16R2.477 O=C([O-])CSc1ccc2c(c1)OCCC2 62a_100020667443_100010700467 [0,0,0,1,0,0|2,0,1]=4 937 B16R2.477 O=C([O-])CSc1ccc2c(c1)OCCN2 62a_100020667443_100012355470 [0,0,0,1,0,0|2,0,1]=4 938 B16R2.477 O=C([O-])CSc1ccc2c(c1)OCCO2 62a_100011216881_100020667443 [0,0,0,1,0,0|1,0,1]=3 939 B16R2.477 O=C([O-])CSc1ccc2c(c1)OCCO2 62a_100020667443_100011216881 [0,0,0,1,0,0|1,0,1]=3 940 B16R2.477 O=[N+]([O-])CNc1ccc2c(c1)OCCO2 34a_100020630400_100000761209 [0,0,0,1,0,0|2,0,1]=4 941 B16R2.477 O=[N+]([O-])COc1ccc2c(c1)OCCO2 34a_100000234341_100000761209 [0,0,0,1,0,0|2,0,1]=4 942 B16R2.477 O=[N+]([O-])CSc1ccc2c(c1)OCCO2 62a_100011216881_100000761209 [0,0,0,1,0,0|2,0,1]=4 943 B16R2.477 [13CH3]C(=O)C=Cc1ccc2c(c1)OCCO2 1458a_100000179788_200025704644 [0,0,0,1,0,0|1,0,2]=4 944 B16R2.477 [13CH3]C(=O)CSc1ccc2c(c1)OCCO2 1458a_100000179515_200025704644 [0,0,0,1,0,0|2,0,0]=3 945 B16R2.1461 COc1cc2c(cc1OC)CN(CC2)C 2230a_100000185277_200000210301 [0,0,0,1,0,0|3,0,0]=4 946 B16R2.1461 COc1cc2c(cc1OC)CN(CC2)C 269982a_100000185277_200000210301 [0,0,0,1,0,0|3,0,0]=4 947 B16R2.1461 COc1cc2c(cc1OC)CN(CC2)C 34a_100000185277_200000210301 [0,0,0,1,0,0|3,0,0]=4 948 B16R2.1461 COc1cc2c(cc1OC)CN(CC2)[13CH3] 2230a_100000185277_200025704644 [0,0,0,1,0,0|3,0,0]=4 949 B16R2.1461 COc1cc2c(cc1OC)CN(CC2)[13CH3] 269982a_100000185277_200025704644 [0,0,0,1,0,0|3,0,0]=4 950 B16R2.1461 COc1cc2c(cc1OC)CN(CC2)[13CH3] 34a_100000185277_200025704644 [0,0,0,1,0,0|3,0,0]=4 951 B16R2.1461 COc1cc2ccc(=O)oc2cc1OC 7a_100000032626_200000210301 [0,0,0,1,0,0|0,0,2]=3 952 B16R2.1461 COc1cc2ccc(=O)oc2cc1O[13CH3] 7a_100000032626_200025704644 [0,0,0,1,0,0|0,0,2]=3 953 B16R2.1461 COc1cc2ncc(nc2cc1OC)O 271570a_203496583355_100000756249 [0,0,0,1,0,0|2,0,1]=4 954 B16R2.196403 COc1ccc(cc1OC)NCC2CO2 34a_100000187404_102125554688 [0,0,0,1,0,0|2,0,1]=4 955 B16R2.196403 COc1ccc(cc1OC)OCC2CO2 34a_100000039706_102125554688 [0,0,0,1,0,0|2,0,1]=4 956 B16R2.196403 COc1ccc(cc1OC)SCC2CO2 62a_102125554688_100011356967 [0,0,0,1,0,0|2,0,1]=4 957 B16R2.196403 COc1ccc(cc1OC)SC[C@@H]2CO2 62a_100000745022_100011356967 [0,0,0,1,0,0|2,0,1]=4 958 B14R1.3651 C=Cc1cc(ccc1OC)CC(=O)C 271570a_100011290941_100011493462 [0,0,0,0,1,0|2,0,1]=4 959 B14R1.3651 CNc1cc(ccc1OC)NC(=O)C 34a_100000211725_200000210301 [0,0,0,0,1,0|3,0,0]=4 960 B14R1.3651 COc1cc(ccc1O[13CH3])CC(=O)C 34a_200000039568_200025704644 [0,0,0,0,1,0|1,0,0]=2 961 B14R1.3651 COc1ccc(cc1N[13CH3])NC(=O)C 34a_100000211725_200025704644 [0,0,0,0,1,0|3,0,0]=4 962 B14R1.3651 COc1ccc(cc1OC)C=C(C)C 271570a_100102525489_100000187503 [0,0,0,0,1,0|2,0,1]=4 963 B14R1.3651 COc1ccc(cc1OC)CC(=O)C 1458a_100000184093_200000210301 [0,0,0,0,1,0|1,0,0]=2 964 B14R1.3651 COc1ccc(cc1OC)CC(=O)C 34a_200000039568_200000210301 [0,0,0,0,1,0|1,0,0]=2 965 B14R1.3651 COc1ccc(cc1OC)CC(=O)[13CH3] 1458a_100000184093_200025704644 [0,0,0,0,1,0|1,0,0]=2 966 B14R1.3651 COc1ccc(cc1OC)CN(C)C 2230a_100000180827_200000210301 [0,0,0,0,1,0|3,0,0]=4 967 B14R1.3651 COc1ccc(cc1OC)CN(C)C 2230a_100102631434_100011233839 [0,0,0,0,1,0|3,0,0]=4 968 B14R1.3651 COc1ccc(cc1OC)CN(C)C 269982a_100000180827_200000210301 [0,0,0,0,1,0|3,0,0]=4 969 B14R1.3651 COc1ccc(cc1OC)CN(C)C 269982a_100102631434_100011233839 [0,0,0,0,1,0|3,0,0]=4 970 B14R1.3651 COc1ccc(cc1OC)CN(C)C 270004a_100102631434_100000170513 [0,0,0,0,1,0|3,0,0]=4 971 B14R1.3651 COc1ccc(cc1OC)CN(C)[13CH3] 2230a_100000180827_200025704644 [0,0,0,0,1,0|3,0,0]=4 972 B14R1.3651 COc1ccc(cc1OC)CN(C)[13CH3] 269982a_100000180827_200025704644 [0,0,0,0,1,0|3,0,0]=4 973 B14R1.3651 COc1ccc(cc1OC)NC(=O)C 11a_100000187404_100015343762 [0,0,0,0,1,0|2,0,0]=3 974 B14R1.3651 COc1ccc(cc1OC)NC(=O)C 1626a_100000187404_100015343762 [0,0,0,0,1,0|2,0,0]=3 975 B14R1.3651 COc1ccc(cc1OC)NC(=O)C 22a_100000187404_100000070787 [0,0,0,0,1,0|2,0,0]=3 976 B14R1.3651 COc1ccc(cc1OC)NC(=O)C 527a_100000187404_100103153847 [0,0,0,0,1,0|2,0,0]=3 977 B14R1.3651 COc1ccc(cc1SC)CC(=O)C 62a_100011493462_200000210301 [0,0,0,0,1,0|1,1,0]=3 978 B14R1.3651 COc1ccc(cc1SC)CC(=O)C 62a_200000210301_100011493462 [0,0,0,0,1,0|1,1,0]=3 979 B14R1.3651 COc1ccc(cc1S[13CH3])CC(=O)C 62a_100011493462_200025704644 [0,0,0,0,1,0|1,1,0]=3 980 B14R1.3651 COc1ccc(cc1S[13CH3])CC(=O)C 62a_200025704644_100011493462 [0,0,0,0,1,0|1,1,0]=3 981 B16R1.4275 C=C(C)CCNc1ccc(c(c1)OC)OC 34a_100000187404_100000730704 [0,0,0,0,0,1|2,0,0]=3 982 B16R1.4275 C=C(C)CCOc1ccc(c(c1)OC)OC 34a_100000039706_100000730704 [0,0,0,0,0,1|2,0,0]=3 983 B16R1.4275 C=C(C)CCSc1ccc(c(c1)CC)OC 62a_100000730704_200010179862 [0,0,0,0,0,1|3,0,0]=4 984 B16R1.4275 C=C(C)CCSc1ccc(c(c1)CC)OC 62a_200010179862_100000730704 [0,0,0,0,0,1|3,0,0]=4 985 B16R1.4275 C=C(C)CCSc1ccc(c(c1)OC)CC 62a_100000730704_200010710398 [0,0,0,0,0,1|3,0,0]=4 986 B16R1.4275 C=C(C)CCSc1ccc(c(c1)OC)CC 62a_200010710398_100000730704 [0,0,0,0,0,1|3,0,0]=4 987 B16R1.4275 C=C(C)CCSc1ccc(c(c1)OC)OC 62a_100000730704_100011356967 [0,0,0,0,0,1|2,0,0]=3 988 B16R1.4275 C=C(C)CCSc1ccc(c(c1)OC)SC 62a_200011001119_100000730704 [0,0,0,0,0,1|2,1,0]=4 989 B16R1.4275 C=C(C)CCSc1ccc(c(c1)SC)OC 62a_200009892704_100000730704 [0,0,0,0,0,1|2,1,0]=4 990 B16R1.4275 C=C(C)CCSc1ccc(c(n1)OC)OC 62a_100000730704_100010214848 [0,0,0,0,0,1|3,0,0]=4 991 B16R1.4275 C=C(C)CCSc1cnc(c(c1)OC)OC 62a_100000730704_100010234541 [0,0,0,0,0,1|3,0,0]=4 992 B16R1.4275 C=C(C)CNCc1ccc(c(c1)OC)OC 34a_100000185555_100000748629 [0,0,0,0,0,1|2,0,0]=3 993 B16R1.4275 C=C(C)COCc1ccc(c(c1)OC)OC 34a_100000210929_100000748629 [0,0,0,0,0,1|2,0,0]=3 994 B16R1.4275 C=C(C)CSCc1ccc(c(c1)OC)OC 62a_100000748629_100011233839 [0,0,0,0,0,1|2,0,0]=3 995 B16R1.4275 C=C(F)CNCc1ccc(c(c1)OC)OC 34a_100000185555_100009893438 [0,0,0,0,0,1|2,0,0]=3 996 B16R1.4275 C=C(F)COCc1ccc(c(c1)OC)OC 34a_100000210929_100009893438 [0,0,0,0,0,1|2,0,0]=3 997 B16R1.4275 C=C(F)CSCc1ccc(c(c1)OC)OC 62a_100000042424_100011233839 [0,0,0,0,0,1|2,0,0]=3 998 B16R1.4275 CCc1cc(ccc1OC)SCCC(=O)C 62a_100000053229_200010179862 [0,0,0,0,0,1|2,0,0]=3 999 B16R1.4275 CCc1cc(ccc1OC)SCCC(=O)C 62a_200010179862_100000053229 [0,0,0,0,0,1|2,0,0]=3 1000 B16R1.4275 CCc1cc(ccc1OC)SCCC(=O)N 62a_100000744528_200010179862 [0,0,0,0,0,1|2,0,0]=3 1001 B16R1.4275 CCc1cc(ccc1OC)SCCC(=O)N 62a_200010179862_100000744528 [0,0,0,0,0,1|2,0,0]=3 1002 B16R1.4275 CCc1cc(ccc1OC)SCCC(C)O 62a_100012276601_200010179862 [0,0,0,0,0,1|2,0,1]=4 1003 B16R1.4275 CCc1cc(ccc1OC)SCCC(C)O 62a_200010179862_100012276601 [0,0,0,0,0,1|2,0,1]=4 1004 B16R1.4275 CCc1cc(ccc1OC)SCOC(=O)C 62a_100000076356_200010179862 [0,0,0,0,0,1|3,0,0]=4 1005 B16R1.4275 CCc1cc(ccc1OC)SCOC(=O)C 62a_200010179862_100000076356 [0,0,0,0,0,1|3,0,0]=4 1006 B16R1.4275 CCc1ccc(cc1OC)SCCC(=O)C 62a_100000053229_200010710398 [0,0,0,0,0,1|2,0,0]=3 1007 B16R1.4275 CCc1ccc(cc1OC)SCCC(=O)C 62a_200010710398_100000053229 [0,0,0,0,0,1|2,0,0]=3 1008 B16R1.4275 CCc1ccc(cc1OC)SCCC(=O)N 62a_100000744528_200010710398 [0,0,0,0,0,1|2,0,0]=3 1009 B16R1.4275 CCc1ccc(cc1OC)SCCC(=O)N 62a_200010710398_100000744528 [0,0,0,0,0,1|2,0,0]=3 1010 B16R1.4275 CCc1ccc(cc1OC)SCCC(C)O 62a_100012276601_200010710398 [0,0,0,0,0,1|2,0,1]=4 1011 B16R1.4275 CCc1ccc(cc1OC)SCCC(C)O 62a_200010710398_100012276601 [0,0,0,0,0,1|2,0,1]=4 1012 B16R1.4275 CCc1ccc(cc1OC)SCOC(=O)C 62a_100000076356_200010710398 [0,0,0,0,0,1|3,0,0]=4 1013 B16R1.4275 CCc1ccc(cc1OC)SCOC(=O)C 62a_200010710398_100000076356 [0,0,0,0,0,1|3,0,0]=4 1014 B16R1.4275 COc1cc(ccc1C#N)NCCC(=O)N 34a_100011999456_100000731001 [0,0,0,0,0,1|3,0,0]=4 1015 B16R1.4275 COc1cc(ccc1C#N)SCCC(=O)C 62a_100000053229_100000694671 [0,0,0,0,0,1|3,0,0]=4 1016 B16R1.4275 COc1cc(ccc1C#N)SCCC(=O)N 62a_100000744528_100000694671 [0,0,0,0,0,1|3,0,0]=4 1017 B16R1.4275 COc1cc(ccc1C=O)SCCC(=O)C 62a_100000053229_100010290300 [0,0,0,0,0,1|3,0,0]=4 1018 B16R1.4275 COc1cc(ccc1C=O)SCCC(=O)C 62a_100000697075_100000053229 [0,0,0,0,0,1|3,0,0]=4 1019 B16R1.4275 COc1cc(ccc1C=O)SCCC(=O)N 62a_100000697075_100000744528 [0,0,0,0,0,1|3,0,0]=4 1020 B16R1.4275 COc1cc(ccc1C=O)SCCC(=O)N 62a_100000744528_100010290300 [0,0,0,0,0,1|3,0,0]=4 1021 B16R1.4275 COc1cc(ccc1CO)NCCC(=O)N 34a_100012183141_100000731001 [0,0,0,0,0,1|3,0,0]=4 1022 B16R1.4275 COc1cc(ccc1CO)OCCC(=O)N 34a_200000116926_100000731001 [0,0,0,0,0,1|3,0,0]=4 1023 B16R1.4275 COc1cc(ccc1CO)SCCC(=O)C 62a_100000053229_100011277633 [0,0,0,0,0,1|3,0,0]=4 1024 B16R1.4275 COc1cc(ccc1CO)SCCC(=O)C 62a_100011277633_100000053229 [0,0,0,0,0,1|3,0,0]=4 1025 B16R1.4275 COc1cc(ccc1CO)SCCC(=O)N 62a_100000744528_100011277633 [0,0,0,0,0,1|3,0,0]=4 1026 B16R1.4275 COc1cc(ccc1CO)SCCC(=O)N 62a_100011277633_100000744528 [0,0,0,0,0,1|3,0,0]=4 1027 B16R1.4275 COc1cc(ccc1SC)CNCC(C)O 207a_100000210904_100000050949 [0,0,0,0,0,1|1,1,1]=4 1028 B16R1.4275 COc1cc(ccc1SC)CNCC(C)O 270004a_100000210904_100000050949 [0,0,0,0,0,1|1,1,1]=4 1029 B16R1.4275 COc1cc(ccc1SC)SCCC(=O)C 62a_200011001119_100000053229 [0,0,0,0,0,1|1,1,0]=3 1030 B16R1.4275 COc1cc(ccc1SC)SCCC(=O)N 62a_200011001119_100000744528 [0,0,0,0,0,1|1,1,0]=3 1031 B16R1.4275 COc1cc(ccc1SC)SCCC(C)O 62a_200011001119_100012276601 [0,0,0,0,0,1|1,1,1]=4 1032 B16R1.4275 COc1cc(ccc1SC)SCOC(=O)C 62a_200011001119_100000076356 [0,0,0,0,0,1|2,1,0]=4 1033 B16R1.4275 COc1cc(cnc1OC)CNCC(C)O 207a_100000210904_100000117638 [0,0,0,0,0,1|2,0,1]=4 1034 B16R1.4275 COc1cc(cnc1OC)CNCC(C)O 270004a_100000210904_100000117638 [0,0,0,0,0,1|2,0,1]=4 1035 B16R1.4275 COc1cc(cnc1OC)SCCC(=O)C 62a_100000053229_100010234541 [0,0,0,0,0,1|2,0,0]=3 1036 B16R1.4275 COc1cc(cnc1OC)SCCC(=O)N 62a_100000744528_100010234541 [0,0,0,0,0,1|2,0,0]=3 1037 B16R1.4275 COc1cc(cnc1OC)SCCC(C)O 62a_100012276601_100010234541 [0,0,0,0,0,1|2,0,1]=4 1038 B16R1.4275 COc1cc(cnc1OC)SCOC(=O)C 62a_100000076356_100010234541 [0,0,0,0,0,1|3,0,0]=4 1039 B16R1.4275 COc1cc(nnc1OC)SCCC(=O)C 62a_100000053229_200000095610 [0,0,0,0,0,1|3,0,0]=4 1040 B16R1.4275 COc1cc(nnc1OC)SCCC(=O)N 62a_100000744528_200000095610 [0,0,0,0,0,1|3,0,0]=4 1041 B16R1.4275 COc1ccc(cc1C#N)NCCC(=O)C 7a_100011204338_100000053229 [0,0,0,0,0,1|3,0,0]=4 1042 B16R1.4275 COc1ccc(cc1C#N)NCCC(=O)N 34a_100011204338_100000731001 [0,0,0,0,0,1|3,0,0]=4 1043 B16R1.4275 COc1ccc(cc1C#N)NCCC(=O)N 7a_100011204338_100000744528 [0,0,0,0,0,1|3,0,0]=4 1044 B16R1.4275 COc1ccc(cc1C#N)SCCC(=O)C 62a_100000053229_100000188252 [0,0,0,0,0,1|3,0,0]=4 1045 B16R1.4275 COc1ccc(cc1C#N)SCCC(=O)N 62a_100000744528_100000188252 [0,0,0,0,0,1|3,0,0]=4 1046 B16R1.4275 COc1ccc(cc1C=O)SCCC(=O)C 62a_100000053229_100000170026 [0,0,0,0,0,1|3,0,0]=4 1047 B16R1.4275 COc1ccc(cc1C=O)SCCC(=O)C 62a_100000170026_100000053229 [0,0,0,0,0,1|3,0,0]=4 1048 B16R1.4275 COc1ccc(cc1C=O)SCCC(=O)N 62a_100000170026_100000744528 [0,0,0,0,0,1|3,0,0]=4 1049 B16R1.4275 COc1ccc(cc1C=O)SCCC(=O)N 62a_100000744528_100000170026 [0,0,0,0,0,1|3,0,0]=4 1050 B16R1.4275 COc1ccc(cc1CN)SCCC(=O)C 62a_100000053229_100000690498 [0,0,0,0,0,1|3,0,0]=4 1051 B16R1.4275 COc1ccc(cc1CN)SCCC(=O)C 62a_100000690498_100000053229 [0,0,0,0,0,1|3,0,0]=4 1052 B16R1.4275 COc1ccc(cc1CN)SCCC(=O)N 62a_100000690498_100000744528 [0,0,0,0,0,1|3,0,0]=4 1053 B16R1.4275 COc1ccc(cc1CN)SCCC(=O)N 62a_100000744528_100000690498 [0,0,0,0,0,1|3,0,0]=4 1054 B16R1.4275 COc1ccc(cc1CO)SCCC(=O)C 62a_100000053229_100000204679 [0,0,0,0,0,1|3,0,0]=4 1055 B16R1.4275 COc1ccc(cc1CO)SCCC(=O)C 62a_100000204679_100000053229 [0,0,0,0,0,1|3,0,0]=4 1056 B16R1.4275 COc1ccc(cc1CO)SCCC(=O)N 62a_100000204679_100000744528 [0,0,0,0,0,1|3,0,0]=4 1057 B16R1.4275 COc1ccc(cc1CO)SCCC(=O)N 62a_100000744528_100000204679 [0,0,0,0,0,1|3,0,0]=4 1058 B16R1.4275 COc1ccc(cc1OC)C=NNC(=O)C 4a_100000189765_100000170513 [0,0,0,0,0,1|2,0,1]=4 1059 B16R1.4275 COc1ccc(cc1OC)CCCC(=O)C 1458a_100000070787_200012094798 [0,0,0,0,0,1|1,0,0]=2 1060 B16R1.4275 COc1ccc(cc1OC)CCCC(=O)C 1458a_100011217081_200000210301 [0,0,0,0,0,1|1,0,0]=2 1061 B16R1.4275 COc1ccc(cc1OC)CCCC(=O)[13CH3] 1458a_100011217081_200025704644 [0,0,0,0,0,1|1,0,0]=2 1062 B16R1.4275 COc1ccc(cc1OC)CCCN(C)C 2230a_100102631434_200012094798 [0,0,0,0,0,1|3,0,0]=4 1063 B16R1.4275 COc1ccc(cc1OC)CCCN(C)C 269982a_100102631434_200012094798 [0,0,0,0,0,1|3,0,0]=4 1064 B16R1.4275 COc1ccc(cc1OC)CCNC(=O)C 11a_100000210947_100015343762 [0,0,0,0,0,1|1,0,0]=2 1065 B16R1.4275 COc1ccc(cc1OC)CCNC(=O)C 1626a_100000210947_100015343762 [0,0,0,0,0,1|1,0,0]=2 1066 B16R1.4275 COc1ccc(cc1OC)CCNC(=O)C 240690a_100000210947_100015343762 [0,0,0,0,0,1|1,0,0]=2 1067 B16R1.4275 COc1ccc(cc1OC)CCNC(=O)C 527a_100000210947_100103153847 [0,0,0,0,0,1|1,0,0]=2 1068 B16R1.4275 COc1ccc(cc1OC)CCNC(C)C 2230a_100000210947_100000210206 [0,0,0,0,0,1|2,0,1]=4 1069 B16R1.4275 COc1ccc(cc1OC)CCNC(C)C 2230a_100138425928_100011273988 [0,0,0,0,0,1|2,0,1]=4 1070 B16R1.4275 COc1ccc(cc1OC)CCNC(C)C 34a_100000210947_100000210206 [0,0,0,0,0,1|2,0,1]=4 1071 B16R1.4275 COc1ccc(cc1OC)CCNC(C)C 34a_100138425928_100011273988 [0,0,0,0,0,1|2,0,1]=4 1072 B16R1.4275 COc1ccc(cc1OC)CCOC(C)C 34a_100000212225_100011273988 [0,0,0,0,0,1|2,0,1]=4 1073 B16R1.4275 COc1ccc(cc1OC)CCOC(C)C 34a_100011215274_100000210206 [0,0,0,0,0,1|2,0,1]=4 1074 B16R1.4275 COc1ccc(cc1OC)CCSC(C)C 62a_100000210206_100011740610 [0,0,0,0,0,1|2,0,1]=4 1075 B16R1.4275 COc1ccc(cc1OC)CNCC(=O)N 2230a_100000711301_100011233839 [0,0,0,0,0,1|1,0,0]=2 1076 B16R1.4275 COc1ccc(cc1OC)CNCC(=O)N 34a_100000185555_100000187820 [0,0,0,0,0,1|1,0,0]=2 1077 B16R1.4275 COc1ccc(cc1OC)CNCC(=O)O 269956a_100016091260_100011233839 [0,0,0,0,0,1|0,0,0]=1 1078 B16R1.4275 COc1ccc(cc1OC)CNCC(=O)[O-] 34a_100000185555_100020667443 [0,0,0,0,0,1|0,0,1]=2 1079 B16R1.4275 COc1ccc(cc1OC)CNCC(C)C 207a_100000210953_100000170513 [0,0,0,0,0,1|2,0,1]=4 1080 B16R1.4275 COc1ccc(cc1OC)CNCC(C)C 2230a_100000210953_100011233839 [0,0,0,0,0,1|2,0,1]=4 1081 B16R1.4275 COc1ccc(cc1OC)CNCC(C)C 270004a_100000185555_100000210432 [0,0,0,0,0,1|2,0,1]=4 1082 B16R1.4275 COc1ccc(cc1OC)CNCC(C)C 270004a_100000210953_100000170513 [0,0,0,0,0,1|2,0,1]=4 1083 B16R1.4275 COc1ccc(cc1OC)CNCC(C)C 34a_100000185555_100000210624 [0,0,0,0,0,1|2,0,1]=4 1084 B16R1.4275 COc1ccc(cc1OC)CNCC(C)O 207a_100000210904_100000170513 [0,0,0,0,0,1|1,0,1]=3 1085 B16R1.4275 COc1ccc(cc1OC)CNCC(C)O 2230a_100000210904_100011233839 [0,0,0,0,0,1|1,0,1]=3 1086 B16R1.4275 COc1ccc(cc1OC)CNCC(C)O 270004a_100000210904_100000170513 [0,0,0,0,0,1|1,0,1]=3 1087 B16R1.4275 COc1ccc(cc1OC)CNCC(C)O 34a_100000185555_100011218427 [0,0,0,0,0,1|1,0,1]=3 1088 B16R1.4275 COc1ccc(cc1OC)CNCC(F)F 207a_100000765723_100000170513 [0,0,0,0,0,1|2,0,1]=4 1089 B16R1.4275 COc1ccc(cc1OC)CNCC(F)F 270004a_100000765723_100000170513 [0,0,0,0,0,1|2,0,1]=4 1090 B16R1.4275 COc1ccc(cc1OC)CNCC(F)F 34a_100000185555_100011934356 [0,0,0,0,0,1|2,0,1]=4 1091 B16R1.4275 COc1ccc(cc1OC)CNC[C@@H](C)O 34a_100000185555_100009817552 [0,0,0,0,0,1|1,0,1]=3 1092 B16R1.4275 COc1ccc(cc1OC)CNC[N+](=O)[O-] 34a_100000185555_100000761209 [0,0,0,0,0,1|1,0,1]=3 1093 B16R1.4275 COc1ccc(cc1OC)COCC(=O)N 34a_100000210929_100000187820 [0,0,0,0,0,1|1,0,0]=2 1094 B16R1.4275 COc1ccc(cc1OC)COCC(=O)[O-] 34a_100000210929_100020667443 [0,0,0,0,0,1|0,0,1]=2 1095 B16R1.4275 COc1ccc(cc1OC)COCC(C)C 34a_100000210929_100000210624 [0,0,0,0,0,1|2,0,1]=4 1096 B16R1.4275 COc1ccc(cc1OC)COCC(C)O 34a_100000210929_100011218427 [0,0,0,0,0,1|1,0,1]=3 1097 B16R1.4275 COc1ccc(cc1OC)COCC(F)F 34a_100000210929_100011934356 [0,0,0,0,0,1|2,0,1]=4 1098 B16R1.4275 COc1ccc(cc1OC)COC[C@@H](C)O 34a_100000210929_100009817552 [0,0,0,0,0,1|1,0,1]=3 1099 B16R1.4275 COc1ccc(cc1OC)COC[N+](=O)[O-] 34a_100000210929_100000761209 [0,0,0,0,0,1|1,0,1]=3 1100 B16R1.4275 COc1ccc(cc1OC)CSCC(=O)N 62a_100000747473_100011233839 [0,0,0,0,0,1|1,0,0]=2 1101 B16R1.4275 COc1ccc(cc1OC)CSCC(=O)[O-] 62a_100020667443_100011233839 [0,0,0,0,0,1|0,0,1]=2 1102 B16R1.4275 COc1ccc(cc1OC)CSCC(C)C 62a_100000210624_100011233839 [0,0,0,0,0,1|2,0,1]=4 1103 B16R1.4275 COc1ccc(cc1OC)CSCC(C)O 62a_100011218427_100011233839 [0,0,0,0,0,1|1,0,1]=3 1104 B16R1.4275 COc1ccc(cc1OC)CSCC(F)F 62a_100011934356_100011233839 [0,0,0,0,0,1|2,0,1]=4 1105 B16R1.4275 COc1ccc(cc1OC)CSC[C@@H](C)O 62a_100009817552_100011233839 [0,0,0,0,0,1|1,0,1]=3 1106 B16R1.4275 COc1ccc(cc1OC)NCC=C(C)C 34a_100000187404_100000761012 [0,0,0,0,0,1|2,0,1]=4 1107 B16R1.4275 COc1ccc(cc1OC)NCCC(=O)N 34a_100000187404_100000731001 [0,0,0,0,0,1|1,0,0]=2 1108 B16R1.4275 COc1ccc(cc1OC)NCCC(C)C 34a_100000187404_100000210312 [0,0,0,0,0,1|2,0,1]=4 1109 B16R1.4275 COc1ccc(cc1OC)NCCC(C)O 34a_100000187404_100012276601 [0,0,0,0,0,1|1,0,1]=3 1110 B16R1.4275 COc1ccc(cc1OC)NCOC(=O)C 34a_100000187404_100009813279 [0,0,0,0,0,1|2,0,0]=3 1111 B16R1.4275 COc1ccc(cc1OC)OCC=C(C)C 34a_100000039706_100000761012 [0,0,0,0,0,1|2,0,1]=4 1112 B16R1.4275 COc1ccc(cc1OC)OCCC(=O)N 34a_100000039706_100000731001 [0,0,0,0,0,1|1,0,0]=2 1113 B16R1.4275 COc1ccc(cc1OC)OCCC(C)C 34a_100000039706_100000210312 [0,0,0,0,0,1|2,0,1]=4 1114 B16R1.4275 COc1ccc(cc1OC)OCCC(C)O 34a_100000039706_100012276601 [0,0,0,0,0,1|1,0,1]=3 1115 B16R1.4275 COc1ccc(cc1OC)OCOC(=O)C 34a_100000039706_100009813279 [0,0,0,0,0,1|2,0,0]=3 1116 B16R1.4275 COc1ccc(cc1OC)SCC=C(C)C 62a_100000761012_100011356967 [0,0,0,0,0,1|2,0,1]=4 1117 B16R1.4275 COc1ccc(cc1OC)SCCC(=O)C 62a_100000053229_100011356967 [0,0,0,0,0,1|1,0,0]=2 1118 B16R1.4275 COc1ccc(cc1OC)SCCC(=O)N 62a_100000744528_100011356967 [0,0,0,0,0,1|1,0,0]=2 1119 B16R1.4275 COc1ccc(cc1OC)SCCC(C)C 62a_100000210312_100011356967 [0,0,0,0,0,1|2,0,1]=4 1120 B16R1.4275 COc1ccc(cc1OC)SCCC(C)O 62a_100012276601_100011356967 [0,0,0,0,0,1|1,0,1]=3 1121 B16R1.4275 COc1ccc(cc1OC)SCOC(=O)C 62a_100000076356_100011356967 [0,0,0,0,0,1|2,0,0]=3 1122 B16R1.4275 COc1ccc(cc1SC)SCCC(=O)C 62a_200009892704_100000053229 [0,0,0,0,0,1|1,1,0]=3 1123 B16R1.4275 COc1ccc(cc1SC)SCCC(=O)N 62a_200009892704_100000744528 [0,0,0,0,0,1|1,1,0]=3 1124 B16R1.4275 COc1ccc(cc1SC)SCCC(C)O 62a_200009892704_100012276601 [0,0,0,0,0,1|1,1,1]=4 1125 B16R1.4275 COc1ccc(cc1SC)SCOC(=O)C 62a_200009892704_100000076356 [0,0,0,0,0,1|2,1,0]=4 1126 B16R1.4275 COc1ccc(nc1OC)SCCC(=O)C 62a_100000053229_100010214848 [0,0,0,0,0,1|2,0,0]=3 1127 B16R1.4275 COc1ccc(nc1OC)SCCC(=O)N 62a_100000744528_100010214848 [0,0,0,0,0,1|2,0,0]=3 1128 B16R1.4275 COc1ccc(nc1OC)SCCC(C)O 62a_100012276601_100010214848 [0,0,0,0,0,1|2,0,1]=4 1129 B16R1.4275 COc1ccc(nc1OC)SCOC(=O)C 62a_100000076356_100010214848 [0,0,0,0,0,1|3,0,0]=4 1130 B16R1.4275 COc1cnc(nc1OC)SCCC(=O)C 62a_100000053229_100010280452 [0,0,0,0,0,1|3,0,0]=4 1131 B16R1.4275 COc1cnc(nc1OC)SCCC(=O)N 62a_100000744528_100010280452 [0,0,0,0,0,1|3,0,0]=4 1132 B16R1.4275 COc1ncc(nc1OC)SCCC(=O)C 62a_100000053229_100010132954 [0,0,0,0,0,1|3,0,0]=4 1133 B16R1.4275 COc1ncc(nc1OC)SCCC(=O)C 62a_100010132954_100000053229 [0,0,0,0,0,1|3,0,0]=4 1134 B16R1.4275 COc1ncc(nc1OC)SCCC(=O)N 62a_100000744528_100010132954 [0,0,0,0,0,1|3,0,0]=4 1135 B16R1.4275 COc1ncc(nc1OC)SCCC(=O)N 62a_100010132954_100000744528 [0,0,0,0,0,1|3,0,0]=4 1136 B13R1.511 CC(=O)CCc1ccc(c(c1)Br)C 1458a_100010220830_200000210301 [2,0,0,0,0,0|2,0,0]=4 1137 B13R1.511 CC(=O)CCc1ccc(c(c1)C)C 1458a_100011338283_200000210301 [2,0,0,0,0,0|1,0,0]=3 1138 B13R1.511 CC(=O)CCc1ccc(c(c1)C)F 1458a_100011615030_200000210301 [2,0,0,0,0,0|2,0,0]=4 1139 B13R1.511 CC(=O)CCc1ccc(c(c1)F)C 1458a_100011830284_200000210301 [2,0,0,0,0,0|2,0,0]=4 1140 B13R1.511 CC(=O)CCc1ccc(c(c1)O)O 1458a_100000042615_200000210301 [2,0,0,0,0,0|1,0,0]=3 1141 B13R1.511 CC(=O)CCc1ccc(c(c1)O)O 1458a_100000070787_200010393615 [2,0,0,0,0,0|1,0,0]=3 1142 B13R1.511 CC(=O)COc1ccc(c(c1)C)C 1458a_100000182425_200000210301 [2,0,0,0,0,0|2,0,0]=4 1143 B13R1.511 CC(=O)NCc1ccc(c(c1)C)C 11a_100025706692_100015343762 [2,0,0,0,0,0|2,0,0]=4 1144 B13R1.511 CC(=O)NCc1ccc(c(c1)C)C 1626a_100025706692_100015343762 [2,0,0,0,0,0|2,0,0]=4 1145 B13R1.511 CC(=O)NCc1ccc(c(c1)C)C 240690a_100025706692_100015343762 [2,0,0,0,0,0|2,0,0]=4 1146 B13R1.511 CC(=O)NCc1ccc(c(c1)C)C 527a_100025706692_100103153847 [2,0,0,0,0,0|2,0,0]=4 1147 B13R1.511 CC(=O)NCc1ccc(c(c1)O)O 240690a_100000010075_100015343762 [2,0,0,0,0,0|2,0,0]=4 1148 B13R1.511 Cc1cc(ccc1F)CCC(=O)[13CH3] 1458a_100011615030_200025704644 [2,0,0,0,0,0|2,0,0]=4 1149 B13R1.511 Cc1cc(ccc1O)NCC(=O)N 34a_100011218179_100000187820 [2,0,0,0,0,0|2,0,0]=4 1150 B13R1.511 Cc1cc(ccc1O)NCC(=O)N 7a_100011218179_100000187820 [2,0,0,0,0,0|2,0,0]=4 1151 B13R1.511 Cc1cc(ccc1O)NCC(=O)[O-] 34a_100011218179_100020667443 [2,0,0,0,0,0|1,0,1]=4 1152 B13R1.511 Cc1cc(ccc1O)SCC(=O)N 62a_100000747473_100000186361 [2,0,0,0,0,0|2,0,0]=4 1153 B13R1.511 Cc1cc(ccc1O)SCC(=O)[O-] 62a_100020667443_100000186361 [2,0,0,0,0,0|1,0,1]=4 1154 B13R1.511 Cc1ccc(cc1Br)CCC(=O)[13CH3] 1458a_100010220830_200025704644 [2,0,0,0,0,0|2,0,0]=4 1155 B13R1.511 Cc1ccc(cc1C)CCC(=O)[13CH3] 1458a_100011338283_200025704644 [2,0,0,0,0,0|1,0,0]=3 1156 B13R1.511 Cc1ccc(cc1C)NCC(=O)N 2230a_100000724040_100000747473 [2,0,0,0,0,0|2,0,0]=4 1157 B13R1.511 Cc1ccc(cc1C)NCC(=O)N 34a_100000724040_100000187820 [2,0,0,0,0,0|2,0,0]=4 1158 B13R1.511 Cc1ccc(cc1C)NCC(=O)N 7a_100000724040_100000187820 [2,0,0,0,0,0|2,0,0]=4 1159 B13R1.511 Cc1ccc(cc1C)NCC(=O)[O-] 34a_100000724040_100020667443 [2,0,0,0,0,0|1,0,1]=4 1160 B13R1.511 Cc1ccc(cc1C)OCC(=O)N 34a_100000210932_100000187820 [2,0,0,0,0,0|2,0,0]=4 1161 B13R1.511 Cc1ccc(cc1C)OCC(=O)N 7a_100000210932_100000187820 [2,0,0,0,0,0|2,0,0]=4 1162 B13R1.511 Cc1ccc(cc1C)OCC(=O)[13CH3] 1458a_100000182425_200025704644 [2,0,0,0,0,0|2,0,0]=4 1163 B13R1.511 Cc1ccc(cc1C)OCC(=O)[O-] 34a_100000210932_100020667443 [2,0,0,0,0,0|1,0,1]=4 1164 B13R1.511 Cc1ccc(cc1C)SCC(=O)N 62a_100000747473_100011215607 [2,0,0,0,0,0|2,0,0]=4 1165 B13R1.511 Cc1ccc(cc1C)SCC(=O)N 62a_100011215607_100000747473 [2,0,0,0,0,0|2,0,0]=4 1166 B13R1.511 Cc1ccc(cc1C)SCC(=O)[O-] 62a_100011215607_100020667443 [2,0,0,0,0,0|1,0,1]=4 1167 B13R1.511 Cc1ccc(cc1C)SCC(=O)[O-] 62a_100020667443_100011215607 [2,0,0,0,0,0|1,0,1]=4 1168 B13R1.511 Cc1ccc(cc1F)CCC(=O)[13CH3] 1458a_100011830284_200025704644 [2,0,0,0,0,0|2,0,0]=4 1169 B13R1.511 Cc1ccc(cc1O)NCC(=O)N 34a_100000759471_100000187820 [2,0,0,0,0,0|2,0,0]=4 1170 B13R1.511 Cc1ccc(cc1O)NCC(=O)N 7a_100000759471_100000187820 [2,0,0,0,0,0|2,0,0]=4 1171 B13R1.511 Cc1ccc(cc1O)NCC(=O)[O-] 34a_100000759471_100020667443 [2,0,0,0,0,0|1,0,1]=4 1172 B13R1.511 Cc1ccc(cc1O)SCC(=O)N 62a_100000685420_100000747473 [2,0,0,0,0,0|2,0,0]=4 1173 B13R1.511 Cc1ccc(cc1O)SCC(=O)N 62a_100000747473_100000685420 [2,0,0,0,0,0|2,0,0]=4 1174 B13R1.511 Cc1ccc(cc1O)SCC(=O)[O-] 62a_100000685420_100020667443 [2,0,0,0,0,0|1,0,1]=4 1175 B13R1.511 Cc1ccc(cc1O)SCC(=O)[O-] 62a_100020667443_100000685420 [2,0,0,0,0,0|1,0,1]=4 1176 B13R1.511 NC(=O)CNc1ccc(c(c1)O)O 34a_100102946323_100000187820 [2,0,0,0,0,0|2,0,0]=4 1177 B13R1.511 NC(=O)CSc1ccc(c(c1)O)O 62a_100000747473_100009813601 [2,0,0,0,0,0|2,0,0]=4 1178 B13R1.511 O=C([O-])CNc1ccc(c(c1)O)O 34a_100102946323_100020667443 [2,0,0,0,0,0|1,0,1]=4 1179 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)O 62a_100020667443_100009813601 [2,0,0,0,0,0|1,0,1]=4 1180 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)O)O 1458a_100000042615_200025704644 [2,0,0,0,0,0|1,0,0]=3 1181 B13R1.575 C=CCNc1ccc(c(c1)OC)C 2230a_100011279678_100000210623 [2,0,0,0,0,0|2,0,0]=4 1182 B13R1.575 C=CCNc1ccc(c(c1)OC)C 34a_100011279678_100015514636 [2,0,0,0,0,0|2,0,0]=4 1183 B13R1.575 C=CCNc1ccc(c(c1)OC)O 34a_100000726020_100015514636 [2,0,0,0,0,0|2,0,0]=4 1184 B13R1.575 C=CCOc1ccc(c(c1)OC)C 34a_100009865632_100015514636 [2,0,0,0,0,0|2,0,0]=4 1185 B13R1.575 C=CCOc1ccc(c(c1)OC)C 7a_100009865632_100015514636 [2,0,0,0,0,0|2,0,0]=4 1186 B13R1.575 C=CCSc1ccc(c(c1)OC)C 62a_100000210623_100011830276 [2,0,0,0,0,0|2,0,0]=4 1187 B13R1.575 C=CCSc1ccc(c(c1)OC)C 62a_100011830276_100000210623 [2,0,0,0,0,0|2,0,0]=4 1188 B13R1.575 C=CCSc1ccc(c(c1)OC)O 62a_100000210623_100000694246 [2,0,0,0,0,0|2,0,0]=4 1189 B13R1.575 CCCCc1ccc(c(c1)OC)C 271570a_100020621405_100011830276 [2,0,0,0,0,0|1,0,1]=4 1190 B13R1.575 CCCCc1ccc(c(c1)OC)O 271570a_100020621405_100000694246 [2,0,0,0,0,0|1,0,1]=4 1191 B13R1.575 CCc1cc(ccc1O)SCC=O 62a_200015260668_100012338938 [2,0,0,0,0,0|2,0,0]=4 1192 B13R1.575 CNCCc1ccc(c(c1)OC)O 2230a_106832991635_100010741665 [2,0,0,0,0,0|2,0,0]=4 1193 B13R1.575 CNCCc1ccc(c(c1)OC)O 34a_100000756042_200000210301 [2,0,0,0,0,0|2,0,0]=4 1194 B13R1.575 CNCCc1ccc(c(c1)OC)O 7a_106832991635_100010741665 [2,0,0,0,0,0|2,0,0]=4 1195 B13R1.575 CNc1cc(ccc1C)SCC=O 62a_100020629602_200015260668 [2,0,0,0,0,0|2,0,0]=4 1196 B13R1.575 CNc1cc(ccc1C)SCC=O 62a_200015260668_100020629602 [2,0,0,0,0,0|2,0,0]=4 1197 B13R1.575 COc1cc(ccc1Br)NCC=O 2230a_100000765947_200015260668 [2,0,0,0,0,0|2,0,0]=4 1198 B13R1.575 COc1cc(ccc1Br)NCC=O 34a_100000765947_200009817547 [2,0,0,0,0,0|2,0,0]=4 1199 B13R1.575 COc1cc(ccc1Br)OCC=O 34a_100011827694_200009817547 [2,0,0,0,0,0|2,0,0]=4 1200 B13R1.575 COc1cc(ccc1Br)OCC=O 7a_100011827694_200015260668 [2,0,0,0,0,0|2,0,0]=4 1201 B13R1.575 COc1cc(ccc1Br)SCC=O 62a_100012353699_200015260668 [2,0,0,0,0,0|2,0,0]=4 1202 B13R1.575 COc1cc(ccc1Br)SCC=O 62a_200015260668_100012353699 [2,0,0,0,0,0|2,0,0]=4 1203 B13R1.575 COc1cc(ccc1C)NCC=O 2230a_100011279678_200015260668 [2,0,0,0,0,0|1,0,0]=3 1204 B13R1.575 COc1cc(ccc1C)NCC=O 34a_100011279678_200009817547 [2,0,0,0,0,0|1,0,0]=3 1205 B13R1.575 COc1cc(ccc1C)NCCO 2230a_100011279678_100000211926 [2,0,0,0,0,0|1,0,1]=4 1206 B13R1.575 COc1cc(ccc1C)NCCO 34a_100000057592_200000210301 [2,0,0,0,0,0|1,0,1]=4 1207 B13R1.575 COc1cc(ccc1C)NCCO 34a_100011279678_100000211926 [2,0,0,0,0,0|1,0,1]=4 1208 B13R1.575 COc1cc(ccc1C)NCCO 7a_100000057592_200000210301 [2,0,0,0,0,0|1,0,1]=4 1209 B13R1.575 COc1cc(ccc1C)OCC=O 34a_100009865632_200009817547 [2,0,0,0,0,0|1,0,0]=3 1210 B13R1.575 COc1cc(ccc1C)OCC=O 7a_100009865632_200015260668 [2,0,0,0,0,0|1,0,0]=3 1211 B13R1.575 COc1cc(ccc1C)OCCO 34a_100009865632_100000211926 [2,0,0,0,0,0|1,0,1]=4 1212 B13R1.575 COc1cc(ccc1C)OCCO 7a_100009865632_100000211926 [2,0,0,0,0,0|1,0,1]=4 1213 B13R1.575 COc1cc(ccc1C)SCC=O 62a_100011830276_200015260668 [2,0,0,0,0,0|1,0,0]=3 1214 B13R1.575 COc1cc(ccc1C)SCC=O 62a_200015260668_100011830276 [2,0,0,0,0,0|1,0,0]=3 1215 B13R1.575 COc1cc(ccc1C)SCCO 62a_100000211926_100011830276 [2,0,0,0,0,0|1,0,1]=4 1216 B13R1.575 COc1cc(ccc1C)SCCO 62a_100011830276_100000211926 [2,0,0,0,0,0|1,0,1]=4 1217 B13R1.575 COc1cc(ccc1Cl)NCC=O 2230a_100000742311_200015260668 [2,0,0,0,0,0|2,0,0]=4 1218 B13R1.575 COc1cc(ccc1Cl)NCC=O 34a_100000742311_200009817547 [2,0,0,0,0,0|2,0,0]=4 1219 B13R1.575 COc1cc(ccc1Cl)OCC=O 34a_100012186310_200009817547 [2,0,0,0,0,0|2,0,0]=4 1220 B13R1.575 COc1cc(ccc1Cl)OCC=O 7a_100012186310_200015260668 [2,0,0,0,0,0|2,0,0]=4 1221 B13R1.575 COc1cc(ccc1Cl)SCC=O 62a_100011356853_200015260668 [2,0,0,0,0,0|2,0,0]=4 1222 B13R1.575 COc1cc(ccc1Cl)SCC=O 62a_200015260668_100011356853 [2,0,0,0,0,0|2,0,0]=4 1223 B13R1.575 COc1cc(ccc1F)NCC=O 2230a_100000701188_200015260668 [2,0,0,0,0,0|2,0,0]=4 1224 B13R1.575 COc1cc(ccc1F)NCC=O 34a_100000701188_200009817547 [2,0,0,0,0,0|2,0,0]=4 1225 B13R1.575 COc1cc(ccc1F)OCC=O 34a_100012001760_200009817547 [2,0,0,0,0,0|2,0,0]=4 1226 B13R1.575 COc1cc(ccc1F)OCC=O 7a_100012001760_200015260668 [2,0,0,0,0,0|2,0,0]=4 1227 B13R1.575 COc1cc(ccc1F)SCC=O 62a_100011934186_200015260668 [2,0,0,0,0,0|2,0,0]=4 1228 B13R1.575 COc1cc(ccc1F)SCC=O 62a_200015260668_100011934186 [2,0,0,0,0,0|2,0,0]=4 1229 B13R1.575 COc1cc(ccc1I)NCC=O 34a_100000746945_200009817547 [2,0,0,0,0,0|2,0,0]=4 1230 B13R1.575 COc1cc(ccc1N)OCC=O 34a_100015326901_200009817547 [2,0,0,0,0,0|2,0,0]=4 1231 B13R1.575 COc1cc(ccc1N)OCC=O 7a_100015326901_200015260668 [2,0,0,0,0,0|2,0,0]=4 1232 B13R1.575 COc1cc(ccc1N)SCC=O 62a_100011279103_200015260668 [2,0,0,0,0,0|2,0,0]=4 1233 B13R1.575 COc1cc(ccc1N)SCC=O 62a_200015260668_100015196925 [2,0,0,0,0,0|2,0,0]=4 1234 B13R1.575 COc1cc(ccc1O)CCN[13CH3] 34a_100000756042_200025704644 [2,0,0,0,0,0|2,0,0]=4 1235 B13R1.575 COc1cc(ccc1O)CCSC 62a_200000210301_100010741665 [2,0,0,0,0,0|2,0,0]=4 1236 B13R1.575 COc1cc(ccc1O)CCS[13CH3] 62a_200025704644_100010741665 [2,0,0,0,0,0|2,0,0]=4 1237 B13R1.575 COc1cc(ccc1O)NCC=O 34a_100000726020_200009817547 [2,0,0,0,0,0|1,0,0]=3 1238 B13R1.575 COc1cc(ccc1O)NCCO 34a_100000726020_100000211926 [2,0,0,0,0,0|1,0,1]=4 1239 B13R1.575 COc1cc(ccc1O)SCC=O 62a_200015260668_100000694246 [2,0,0,0,0,0|1,0,0]=3 1240 B13R1.575 COc1cc(ccc1O)SCCO 62a_100000211926_100000694246 [2,0,0,0,0,0|1,0,1]=4 1241 B13R1.575 COc1cc(cnc1C)SCC=O 62a_100010254219_200015260668 [2,0,0,0,0,0|2,0,0]=4 1242 B13R1.575 COc1cc(cnc1C)SCC=O 62a_200015260668_100010254219 [2,0,0,0,0,0|2,0,0]=4 1243 B13R1.575 COc1cc(ncc1C)SCC=O 62a_100010067687_200015260668 [2,0,0,0,0,0|2,0,0]=4 1244 B13R1.575 COc1cc(ncc1C)SCC=O 62a_200015260668_100010067687 [2,0,0,0,0,0|2,0,0]=4 1245 B13R1.575 COc1nc(ccc1O)SCC=O 62a_200015260668_100010893133 [2,0,0,0,0,0|2,0,0]=4 1246 B13R1.575 Cc1ccc(cc1O[13CH3])NCCO 34a_100000057592_200025704644 [2,0,0,0,0,0|1,0,1]=4 1247 B13R1.575 Cc1ccc(cc1O[13CH3])NCCO 7a_100000057592_200025704644 [2,0,0,0,0,0|1,0,1]=4 1248 B13R1.643 CC(=O)CCc1cccc(c1)S[13CH3] 62a_100011279149_200025704644 [2,0,0,0,0,0|1,1,0]=4 1249 B13R1.643 CC(=O)CCc1cccc(c1)S[13CH3] 62a_200025704644_100011279149 [2,0,0,0,0,0|1,1,0]=4 1250 B13R1.643 COc1cccc(c1)CCC(=O)C 1458a_100000070787_100011713679 [2,0,0,0,0,0|1,0,0]=3 1251 B13R1.643 COc1cccc(c1)CCC(=O)C 1458a_100000234931_200000210301 [2,0,0,0,0,0|1,0,0]=3 1252 B13R1.643 COc1cccc(c1)CCC(=O)[13CH3] 1458a_100000234931_200025704644 [2,0,0,0,0,0|1,0,0]=3 1253 B13R1.643 COc1cccc(c1)CNC(=O)C 11a_100000174954_100015343762 [2,0,0,0,0,0|2,0,0]=4 1254 B13R1.643 COc1cccc(c1)CNC(=O)C 1626a_100000174954_100015343762 [2,0,0,0,0,0|2,0,0]=4 1255 B13R1.643 COc1cccc(c1)CNC(=O)C 240690a_100000174954_100015343762 [2,0,0,0,0,0|2,0,0]=4 1256 B13R1.643 COc1cccc(c1)CNC(=O)C 527a_100000174954_100103153847 [2,0,0,0,0,0|2,0,0]=4 1257 B13R1.643 COc1cccc(c1)NCC(=O)N 34a_100000210024_100000187820 [2,0,0,0,0,0|2,0,0]=4 1258 B13R1.643 COc1cccc(c1)NCC(=O)[O-] 34a_100000210024_100020667443 [2,0,0,0,0,0|1,0,1]=4 1259 B13R1.643 COc1cccc(c1)OCC(=O)C 1458a_100000182123_200000210301 [2,0,0,0,0,0|2,0,0]=4 1260 B13R1.643 COc1cccc(c1)OCC(=O)N 34a_100000211255_100000187820 [2,0,0,0,0,0|2,0,0]=4 1261 B13R1.643 COc1cccc(c1)OCC(=O)N 7a_100000211255_100000187820 [2,0,0,0,0,0|2,0,0]=4 1262 B13R1.643 COc1cccc(c1)OCC(=O)[13CH3] 1458a_100000182123_200025704644 [2,0,0,0,0,0|2,0,0]=4 1263 B13R1.643 COc1cccc(c1)OCC(=O)[O-] 34a_100000211255_100020667443 [2,0,0,0,0,0|1,0,1]=4 1264 B13R1.643 COc1cccc(c1)SCC(=O)C 1458a_100000741315_200000210301 [2,0,0,0,0,0|2,0,0]=4 1265 B13R1.643 COc1cccc(c1)SCC(=O)N 62a_100000747473_100000170001 [2,0,0,0,0,0|2,0,0]=4 1266 B13R1.643 COc1cccc(c1)SCC(=O)[13CH3] 1458a_100000741315_200025704644 [2,0,0,0,0,0|2,0,0]=4 1267 B13R1.643 COc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100000170001 [2,0,0,0,0,0|1,0,1]=4 1268 B13R1.643 CSc1cccc(c1)CCC(=O)C 62a_100011279149_200000210301 [2,0,0,0,0,0|1,1,0]=4 1269 B13R1.643 CSc1cccc(c1)CCC(=O)C 62a_200000210301_100011279149 [2,0,0,0,0,0|1,1,0]=4 1270 B13R1.643 CSc1cccc(c1)CCC(=O)N 62a_100000162029_200000210301 [2,0,0,0,0,0|1,1,0]=4 1271 B13R1.643 CSc1cccc(c1)CCC(=O)N 62a_200000210301_100000162029 [2,0,0,0,0,0|1,1,0]=4 1272 B13R1.643 [13CH3]Sc1cccc(c1)CCC(=O)N 62a_100000162029_200025704644 [2,0,0,0,0,0|1,1,0]=4 1273 B13R1.643 [13CH3]Sc1cccc(c1)CCC(=O)N 62a_200025704644_100000162029 [2,0,0,0,0,0|1,1,0]=4 1274 B13R1.386 C=C=Cc1ccc(c(c1)OC)OC 271570a_100015277604_100000187503 [2,0,0,0,0,0|0,0,2]=4 1275 B13R1.386 C=CCc1ccc(c(c1)OC)OC 34a_100000181329_200000210301 [2,0,0,0,0,0|0,0,1]=3 1276 B13R1.386 C=CCc1ccc(c(c1)OC)O[13CH3] 34a_100000181329_200025704644 [2,0,0,0,0,0|0,0,1]=3 1277 B13R1.386 C=Cc1cc(ccc1OC)CCO 271570a_100011290941_100011962876 [2,0,0,0,0,0|1,0,1]=4 1278 B13R1.386 CC=Cc1ccc(c(c1)OC)OC 271570a_100016259895_100000187503 [2,0,0,0,0,0|1,0,1]=4 1279 B13R1.386 CC=Cc1ccc(c(c1)OC)OC 34a_100015195088_200000210301 [2,0,0,0,0,0|1,0,1]=4 1280 B13R1.386 CC=Cc1ccc(c(c1)OC)O[13CH3] 34a_100015195088_200025704644 [2,0,0,0,0,0|1,0,1]=4 1281 B13R1.386 CCCc1ccc(c(c1)OC)OC 34a_100000012292_200000210301 [2,0,0,0,0,0|0,0,1]=3 1282 B13R1.386 CCCc1ccc(c(c1)OC)OC 7a_100000012292_200000210301 [2,0,0,0,0,0|0,0,1]=3 1283 B13R1.386 CCCc1ccc(c(c1)OC)O[13CH3] 34a_100000012292_200025704644 [2,0,0,0,0,0|0,0,1]=3 1284 B13R1.386 CCCc1ccc(c(c1)OC)O[13CH3] 7a_100000012292_200025704644 [2,0,0,0,0,0|0,0,1]=3 1285 B13R1.386 CCNc1ccc(c(c1)OC)OC 34a_100000187404_100000210202 [2,0,0,0,0,0|1,0,1]=4 1286 B13R1.386 CCOc1ccc(c(c1)OC)OC 34a_100000039706_100000210202 [2,0,0,0,0,0|1,0,1]=4 1287 B13R1.386 CCSc1ccc(c(c1)OC)OC 62a_100000210202_100011356967 [2,0,0,0,0,0|1,0,1]=4 1288 B13R1.386 CNCc1ccc(c(c1)OC)OC 207a_100102657272_100000170513 [2,0,0,0,0,0|1,0,1]=4 1289 B13R1.386 CNCc1ccc(c(c1)OC)OC 2230a_106832991635_100011233839 [2,0,0,0,0,0|1,0,1]=4 1290 B13R1.386 CNCc1ccc(c(c1)OC)OC 270004a_106832991635_100000170513 [2,0,0,0,0,0|1,0,1]=4 1291 B13R1.386 CNCc1ccc(c(c1)OC)OC 34a_100000185555_200000210301 [2,0,0,0,0,0|1,0,1]=4 1292 B13R1.386 CNCc1ccc(c(c1)OC)OC 34a_100000188468_200000210301 [2,0,0,0,0,0|1,0,1]=4 1293 B13R1.386 CNCc1ccc(c(c1)O[13CH3])OC 34a_100000188468_200025704644 [2,0,0,0,0,0|1,0,1]=4 1294 B13R1.386 COCc1ccc(c(c1)OC)OC 34a_100000210929_200000210301 [2,0,0,0,0,0|1,0,1]=4 1295 B13R1.386 COc1cc(ccc1O[13CH3])CC#N 34a_100000032377_200025704644 [2,0,0,0,0,0|1,0,1]=4 1296 B13R1.386 COc1cc(ccc1O[13CH3])CCBr 34a_100010741665_200025704644 [2,0,0,0,0,0|1,0,0]=3 1297 B13R1.386 COc1cc(ccc1O[13CH3])CCBr 7a_100010741665_200025704644 [2,0,0,0,0,0|1,0,0]=3 1298 B13R1.386 COc1cc(ccc1O[13CH3])CCN 34a_100000756042_200025704644 [2,0,0,0,0,0|1,0,0]=3 1299 B13R1.386 COc1cc(ccc1O[13CH3])CCO 34a_100011215244_200025704644 [2,0,0,0,0,0|0,0,0]=2 1300 B13R1.386 COc1ccc(cc1OC)CC#N 34a_100000032377_200000210301 [2,0,0,0,0,0|1,0,1]=4 1301 B13R1.386 COc1ccc(cc1OC)CCBr 34a_100010741665_200000210301 [2,0,0,0,0,0|1,0,0]=3 1302 B13R1.386 COc1ccc(cc1OC)CCBr 7a_100010741665_200000210301 [2,0,0,0,0,0|1,0,0]=3 1303 B13R1.386 COc1ccc(cc1OC)CCN 34a_100000756042_200000210301 [2,0,0,0,0,0|1,0,0]=3 1304 B13R1.386 COc1ccc(cc1OC)CCN 34a_100011207234_200000210301 [2,0,0,0,0,0|1,0,0]=3 1305 B13R1.386 COc1ccc(cc1OC)CCO 34a_100011215244_200000210301 [2,0,0,0,0,0|0,0,0]=2 1306 B13R1.386 COc1ccc(cc1OC)CN[13CH3] 34a_100000185555_200025704644 [2,0,0,0,0,0|1,0,1]=4 1307 B13R1.386 COc1ccc(cc1OC)CO[13CH3] 34a_100000210929_200025704644 [2,0,0,0,0,0|1,0,1]=4 1308 B13R1.386 COc1ccc(cc1OC)CSC 62a_200000210301_100011233839 [2,0,0,0,0,0|1,0,1]=4 1309 B13R1.386 COc1ccc(cc1OC)CS[13CH3] 62a_200025704644_100011233839 [2,0,0,0,0,0|1,0,1]=4 1310 B13R1.386 COc1ccc(cc1OC)NCF 34a_100000187404_100015361967 [2,0,0,0,0,0|2,0,0]=4 1311 B13R1.386 COc1ccc(cc1OC)OCF 34a_100000039706_100015361967 [2,0,0,0,0,0|2,0,0]=4 1312 B13R1.386 COc1ccc(cc1OC)SCF 62a_100015361967_100011356967 [2,0,0,0,0,0|2,0,0]=4 1313 B13R1.386 COc1ccc(cc1O[13CH3])CCN 34a_100011207234_200025704644 [2,0,0,0,0,0|1,0,0]=3 1314 B13R1.386 COc1ccc(cc1SC)CCN 62a_103549771065_200000210301 [2,0,0,0,0,0|1,1,0]=4 1315 B13R1.386 COc1ccc(cc1SC)CCN 62a_200000210301_103549771065 [2,0,0,0,0,0|1,1,0]=4 1316 B13R1.386 COc1ccc(cc1SC)CCO 62a_100011962876_200000210301 [2,0,0,0,0,0|0,1,0]=3 1317 B13R1.386 COc1ccc(cc1SC)CCO 62a_200000210301_100011962876 [2,0,0,0,0,0|0,1,0]=3 1318 B13R1.386 COc1ccc(cc1S[13CH3])CCN 62a_103549771065_200025704644 [2,0,0,0,0,0|1,1,0]=4 1319 B13R1.386 COc1ccc(cc1S[13CH3])CCN 62a_200025704644_103549771065 [2,0,0,0,0,0|1,1,0]=4 1320 B13R1.386 COc1ccc(cc1S[13CH3])CCO 62a_100011962876_200025704644 [2,0,0,0,0,0|0,1,0]=3 1321 B13R1.386 COc1ccc(cc1S[13CH3])CCO 62a_200025704644_100011962876 [2,0,0,0,0,0|0,1,0]=3 1322 B13R1.577 C=CCNc1ccc(c(c1)C)OC 2230a_100000743268_100000210623 [2,0,0,0,0,0|2,0,0]=4 1323 B13R1.577 C=CCNc1ccc(c(c1)C)OC 34a_100000743268_100015514636 [2,0,0,0,0,0|2,0,0]=4 1324 B13R1.577 C=CCNc1ccc(c(c1)C)OC 7a_100000743268_100015514636 [2,0,0,0,0,0|2,0,0]=4 1325 B13R1.577 C=CCNc1ccc(c(c1)O)OC 34a_100000211920_100015514636 [2,0,0,0,0,0|2,0,0]=4 1326 B13R1.577 C=CCOc1ccc(c(c1)C)OC 34a_100000759738_100015514636 [2,0,0,0,0,0|2,0,0]=4 1327 B13R1.577 C=CCOc1ccc(c(c1)C)OC 7a_100000759738_100015514636 [2,0,0,0,0,0|2,0,0]=4 1328 B13R1.577 C=CCSc1ccc(c(c1)C)OC 62a_100000210623_100011219705 [2,0,0,0,0,0|2,0,0]=4 1329 B13R1.577 C=CCSc1ccc(c(c1)C)OC 62a_100011219705_100000210623 [2,0,0,0,0,0|2,0,0]=4 1330 B13R1.577 C=CCSc1ccc(c(c1)O)OC 62a_100000210623_100009816560 [2,0,0,0,0,0|2,0,0]=4 1331 B13R1.577 CCCCc1ccc(c(c1)C)OC 271570a_100020621405_100011219705 [2,0,0,0,0,0|1,0,1]=4 1332 B13R1.577 CCCCc1ccc(c(c1)O)OC 271570a_100020621405_100009816560 [2,0,0,0,0,0|1,0,1]=4 1333 B13R1.577 CNCCc1ccc(c(c1)O)OC 2230a_100011207234_200000210301 [2,0,0,0,0,0|2,0,0]=4 1334 B13R1.577 CNCCc1ccc(c(c1)O)OC 34a_100011207234_200000210301 [2,0,0,0,0,0|2,0,0]=4 1335 B13R1.577 CNc1ccc(cc1C)OCC=O 34a_100161107805_200009817547 [2,0,0,0,0,0|2,0,0]=4 1336 B13R1.577 CNc1ccc(cc1C)OCC=O 7a_100161107805_200015260668 [2,0,0,0,0,0|2,0,0]=4 1337 B13R1.577 CNc1ccc(cc1C)SCC=O 62a_100000221803_200015260668 [2,0,0,0,0,0|2,0,0]=4 1338 B13R1.577 CNc1ccc(cc1C)SCC=O 62a_200015260668_100000221803 [2,0,0,0,0,0|2,0,0]=4 1339 B13R1.577 COc1ccc(cc1Br)NCC=O 34a_100000187427_200009817547 [2,0,0,0,0,0|2,0,0]=4 1340 B13R1.577 COc1ccc(cc1Br)OCC=O 34a_100010234764_200009817547 [2,0,0,0,0,0|2,0,0]=4 1341 B13R1.577 COc1ccc(cc1Br)OCC=O 7a_100010234764_200015260668 [2,0,0,0,0,0|2,0,0]=4 1342 B13R1.577 COc1ccc(cc1Br)SCC=O 62a_100011249507_200015260668 [2,0,0,0,0,0|2,0,0]=4 1343 B13R1.577 COc1ccc(cc1Br)SCC=O 62a_200015260668_100011249507 [2,0,0,0,0,0|2,0,0]=4 1344 B13R1.577 COc1ccc(cc1C)NCC=O 2230a_100000743268_200015260668 [2,0,0,0,0,0|1,0,0]=3 1345 B13R1.577 COc1ccc(cc1C)NCC=O 34a_100000743268_200009817547 [2,0,0,0,0,0|1,0,0]=3 1346 B13R1.577 COc1ccc(cc1C)NCC=O 7a_100000743268_200015260668 [2,0,0,0,0,0|1,0,0]=3 1347 B13R1.577 COc1ccc(cc1C)NCCO 2230a_100000743268_100000211926 [2,0,0,0,0,0|1,0,1]=4 1348 B13R1.577 COc1ccc(cc1C)NCCO 34a_100000743268_100000211926 [2,0,0,0,0,0|1,0,1]=4 1349 B13R1.577 COc1ccc(cc1C)NCCO 7a_100000743268_100000211926 [2,0,0,0,0,0|1,0,1]=4 1350 B13R1.577 COc1ccc(cc1C)OCC=O 34a_100000759738_200009817547 [2,0,0,0,0,0|1,0,0]=3 1351 B13R1.577 COc1ccc(cc1C)OCC=O 7a_100000759738_200015260668 [2,0,0,0,0,0|1,0,0]=3 1352 B13R1.577 COc1ccc(cc1C)OCCO 34a_100000759738_100000211926 [2,0,0,0,0,0|1,0,1]=4 1353 B13R1.577 COc1ccc(cc1C)OCCO 7a_100000759738_100000211926 [2,0,0,0,0,0|1,0,1]=4 1354 B13R1.577 COc1ccc(cc1C)SCC=O 62a_100011219705_200015260668 [2,0,0,0,0,0|1,0,0]=3 1355 B13R1.577 COc1ccc(cc1C)SCC=O 62a_200015260668_100011219705 [2,0,0,0,0,0|1,0,0]=3 1356 B13R1.577 COc1ccc(cc1C)SCCO 62a_100000211926_100011219705 [2,0,0,0,0,0|1,0,1]=4 1357 B13R1.577 COc1ccc(cc1C)SCCO 62a_100011219705_100000211926 [2,0,0,0,0,0|1,0,1]=4 1358 B13R1.577 COc1ccc(cc1Cl)NCC=O 2230a_100000211044_200015260668 [2,0,0,0,0,0|2,0,0]=4 1359 B13R1.577 COc1ccc(cc1Cl)NCC=O 34a_100000211044_200009817547 [2,0,0,0,0,0|2,0,0]=4 1360 B13R1.577 COc1ccc(cc1Cl)OCC=O 34a_200009861682_200009817547 [2,0,0,0,0,0|2,0,0]=4 1361 B13R1.577 COc1ccc(cc1Cl)OCC=O 7a_200009861682_200015260668 [2,0,0,0,0,0|2,0,0]=4 1362 B13R1.577 COc1ccc(cc1Cl)SCC=O 62a_100012355395_200015260668 [2,0,0,0,0,0|2,0,0]=4 1363 B13R1.577 COc1ccc(cc1Cl)SCC=O 62a_200015260668_100012355395 [2,0,0,0,0,0|2,0,0]=4 1364 B13R1.577 COc1ccc(cc1F)NCC=O 2230a_100000740183_200015260668 [2,0,0,0,0,0|2,0,0]=4 1365 B13R1.577 COc1ccc(cc1F)NCC=O 34a_100000740183_200009817547 [2,0,0,0,0,0|2,0,0]=4 1366 B13R1.577 COc1ccc(cc1F)OCC=O 34a_100000746305_200009817547 [2,0,0,0,0,0|2,0,0]=4 1367 B13R1.577 COc1ccc(cc1F)OCC=O 7a_100000746305_200015260668 [2,0,0,0,0,0|2,0,0]=4 1368 B13R1.577 COc1ccc(cc1F)SCC=O 62a_100000171752_200015260668 [2,0,0,0,0,0|2,0,0]=4 1369 B13R1.577 COc1ccc(cc1F)SCC=O 62a_200015260668_100000171752 [2,0,0,0,0,0|2,0,0]=4 1370 B13R1.577 COc1ccc(cc1I)NCC=O 34a_100011356947_200009817547 [2,0,0,0,0,0|2,0,0]=4 1371 B13R1.577 COc1ccc(cc1I)OCC=O 34a_100010084122_200009817547 [2,0,0,0,0,0|2,0,0]=4 1372 B13R1.577 COc1ccc(cc1I)OCC=O 7a_100010084122_200015260668 [2,0,0,0,0,0|2,0,0]=4 1373 B13R1.577 COc1ccc(cc1N)SCC=O 62a_100011249504_200015260668 [2,0,0,0,0,0|2,0,0]=4 1374 B13R1.577 COc1ccc(cc1N)SCC=O 62a_200015260668_100011249504 [2,0,0,0,0,0|2,0,0]=4 1375 B13R1.577 COc1ccc(cc1O)CCN[13CH3] 2230a_100011207234_200025704644 [2,0,0,0,0,0|2,0,0]=4 1376 B13R1.577 COc1ccc(cc1O)CCN[13CH3] 34a_100011207234_200025704644 [2,0,0,0,0,0|2,0,0]=4 1377 B13R1.577 COc1ccc(cc1O)NCC=O 34a_100000211920_200009817547 [2,0,0,0,0,0|1,0,0]=3 1378 B13R1.577 COc1ccc(cc1O)NCCO 34a_100000211920_100000211926 [2,0,0,0,0,0|1,0,1]=4 1379 B13R1.577 COc1ccc(cc1O)SCC=O 62a_200015260668_100009816560 [2,0,0,0,0,0|1,0,0]=3 1380 B13R1.577 COc1ccc(cc1O)SCCO 62a_100000211926_100009816560 [2,0,0,0,0,0|1,0,1]=4 1381 B13R1.577 COc1ccc(nc1C)SCC=O 62a_100010244750_200015260668 [2,0,0,0,0,0|2,0,0]=4 1382 B13R1.577 COc1ccc(nc1C)SCC=O 62a_200015260668_100010244750 [2,0,0,0,0,0|2,0,0]=4 1383 B13R1.577 COc1cnc(cc1O)SCC=O 62a_200015260668_100010264082 [2,0,0,0,0,0|2,0,0]=4 1384 B13R1.577 COc1ncc(cc1C)SCC=O 62a_100011290809_200015260668 [2,0,0,0,0,0|2,0,0]=4 1385 B13R1.577 COc1ncc(cc1C)SCC=O 62a_200015260668_100011290809 [2,0,0,0,0,0|2,0,0]=4 1386 B13R1.577 COc1ncc(cc1O)SCC=O 62a_200015260668_100010135713 [2,0,0,0,0,0|2,0,0]=4 1387 B13R1.577 CSc1ccc(cc1C)OCC=O 34a_100000030144_200009817547 [2,0,0,0,0,0|1,1,0]=4 1388 B13R1.3 CC(=O)CCc1ccc(cc1)O[13CH3] 34a_100000198047_200025704644 [2,0,0,0,0,0|1,0,0]=3 1389 B13R1.3 CC(=O)CCc1ccc(cc1)O[13CH3] 7a_100000198047_200025704644 [2,0,0,0,0,0|1,0,0]=3 1390 B13R1.3 CC(=O)CCc1ccc(cc1)S[13CH3] 62a_100000723691_200025704644 [2,0,0,0,0,0|1,1,0]=4 1391 B13R1.3 CC(=O)CCc1ccc(cc1)S[13CH3] 62a_200025704644_100000723691 [2,0,0,0,0,0|1,1,0]=4 1392 B13R1.3 CC(O)CCc1ccc(cc1)O[13CH3] 34a_100000189425_200025704644 [2,0,0,0,0,0|1,0,1]=4 1393 B13R1.3 CC(O)CCc1ccc(cc1)O[13CH3] 7a_100000189425_200025704644 [2,0,0,0,0,0|1,0,1]=4 1394 B13R1.3 CCc1ccc(cc1)CCC(=O)C 1458a_100000195522_200000210301 [2,0,0,0,0,0|2,0,0]=4 1395 B13R1.3 CCc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000195522_200025704644 [2,0,0,0,0,0|2,0,0]=4 1396 B13R1.3 COc1ccc(cc1)CCC(=O)C 1458a_100000070787_100000184700 [2,0,0,0,0,0|1,0,0]=3 1397 B13R1.3 COc1ccc(cc1)CCC(=O)C 1458a_100000211712_200000210301 [2,0,0,0,0,0|1,0,0]=3 1398 B13R1.3 COc1ccc(cc1)CCC(=O)C 34a_100000198047_200000210301 [2,0,0,0,0,0|1,0,0]=3 1399 B13R1.3 COc1ccc(cc1)CCC(=O)C 7a_100000198047_200000210301 [2,0,0,0,0,0|1,0,0]=3 1400 B13R1.3 COc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000211712_200025704644 [2,0,0,0,0,0|1,0,0]=3 1401 B13R1.3 COc1ccc(cc1)CCC(C)O 34a_100000189425_200000210301 [2,0,0,0,0,0|1,0,1]=4 1402 B13R1.3 COc1ccc(cc1)CCC(C)O 7a_100000189425_200000210301 [2,0,0,0,0,0|1,0,1]=4 1403 B13R1.3 COc1ccc(cc1)CNC(=O)C 11a_100000185587_100015343762 [2,0,0,0,0,0|2,0,0]=4 1404 B13R1.3 COc1ccc(cc1)CNC(=O)C 1626a_100000185587_100015343762 [2,0,0,0,0,0|2,0,0]=4 1405 B13R1.3 COc1ccc(cc1)CNC(=O)C 240690a_100000185587_100015343762 [2,0,0,0,0,0|2,0,0]=4 1406 B13R1.3 COc1ccc(cc1)CNC(=O)C 527a_100000185587_100103153847 [2,0,0,0,0,0|2,0,0]=4 1407 B13R1.3 COc1ccc(cc1)NCC(=O)N 34a_100000184247_100000187820 [2,0,0,0,0,0|2,0,0]=4 1408 B13R1.3 COc1ccc(cc1)NCC(=O)[O-] 34a_100000184247_100020667443 [2,0,0,0,0,0|1,0,1]=4 1409 B13R1.3 COc1ccc(cc1)OCC(=O)C 1458a_100000186439_200000210301 [2,0,0,0,0,0|2,0,0]=4 1410 B13R1.3 COc1ccc(cc1)OCC(=O)N 34a_100000210503_100000187820 [2,0,0,0,0,0|2,0,0]=4 1411 B13R1.3 COc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000186439_200025704644 [2,0,0,0,0,0|2,0,0]=4 1412 B13R1.3 COc1ccc(cc1)OCC(=O)[O-] 34a_100000210503_100020667443 [2,0,0,0,0,0|1,0,1]=4 1413 B13R1.3 COc1ccc(cc1)SCC(=O)C 1458a_100000182033_200000210301 [2,0,0,0,0,0|2,0,0]=4 1414 B13R1.3 COc1ccc(cc1)SCC(=O)N 62a_100000747473_100000171711 [2,0,0,0,0,0|2,0,0]=4 1415 B13R1.3 COc1ccc(cc1)SCC(=O)[13CH3] 1458a_100000182033_200025704644 [2,0,0,0,0,0|2,0,0]=4 1416 B13R1.3 COc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000171711 [2,0,0,0,0,0|1,0,1]=4 1417 B13R1.3 CSc1ccc(cc1)CCC(=O)C 1458a_100011252364_200000210301 [2,0,0,0,0,0|1,1,0]=4 1418 B13R1.3 CSc1ccc(cc1)CCC(=O)C 62a_100000723691_200000210301 [2,0,0,0,0,0|1,1,0]=4 1419 B13R1.3 CSc1ccc(cc1)CCC(=O)C 62a_200000210301_100000723691 [2,0,0,0,0,0|1,1,0]=4 1420 B13R1.3 CSc1ccc(cc1)CCC(=O)N 62a_200000210301_200010110666 [2,0,0,0,0,0|1,1,0]=4 1421 B13R1.3 CSc1ccc(cc1)CCC(=O)N 62a_200010110666_200000210301 [2,0,0,0,0,0|1,1,0]=4 1422 B13R1.3 CSc1ccc(cc1)CCC(=O)[13CH3] 1458a_100011252364_200025704644 [2,0,0,0,0,0|1,1,0]=4 1423 B13R1.3 [13CH3]Sc1ccc(cc1)CCC(=O)N 62a_200010110666_200025704644 [2,0,0,0,0,0|1,1,0]=4 1424 B13R1.3 [13CH3]Sc1ccc(cc1)CCC(=O)N 62a_200025704644_200010110666 [2,0,0,0,0,0|1,1,0]=4 1425 B15R1.392 COc1cc(cc(c1O)O)SCC(=O)N 62a_100000747473_200159242197 [1,1,0,0,0,0|2,0,0]=4 1426 B15R1.392 COc1cc(cc(c1O)O)SCC(=O)[O-] 62a_100020667443_200159242197 [1,1,0,0,0,0|1,0,1]=4 1427 B15R1.531 CCOc1cc(ccc1C)SCC(=O)N 62a_100000747473_100012361169 [1,1,0,0,0,0|2,0,0]=4 1428 B15R1.531 CCOc1cc(ccc1C)SCC(=O)N 62a_100012361169_100000747473 [1,1,0,0,0,0|2,0,0]=4 1429 B15R1.531 CCOc1cc(ccc1C)SCC(=O)[O-] 62a_100012361169_100020667443 [1,1,0,0,0,0|1,0,1]=4 1430 B15R1.531 CCOc1cc(ccc1C)SCC(=O)[O-] 62a_100020667443_100012361169 [1,1,0,0,0,0|1,0,1]=4 1431 B15R1.531 CCOc1cc(ccc1O)CNC(=O)C 11a_200000751567_100015343762 [1,1,0,0,0,0|2,0,0]=4 1432 B15R1.531 CCOc1cc(ccc1O)CNC(=O)C 240690a_200000751567_100015343762 [1,1,0,0,0,0|2,0,0]=4 1433 B15R1.531 CCOc1cc(ccc1O)CNC(=O)C 527a_200000751567_100103153847 [1,1,0,0,0,0|2,0,0]=4 1434 B15R1.1803 COc1cc(c(cc1C)Br)NCC(=O)N 34a_100010244135_100000187820 [1,1,0,0,0,0|2,0,0]=4 1435 B15R1.1803 COc1cc(c(cc1C)Br)NCC(=O)N 7a_100010244135_100000187820 [1,1,0,0,0,0|2,0,0]=4 1436 B15R1.1803 COc1cc(c(cc1C)Br)NCC(=O)[O-] 34a_100010244135_100020667443 [1,1,0,0,0,0|1,0,1]=4 1437 B15R1.1803 COc1cc(c(cc1C)N)SCC(=O)N 62a_100000747473_200010584344 [1,1,0,0,0,0|2,0,0]=4 1438 B15R1.1803 COc1cc(c(cc1C)N)SCC(=O)N 62a_200010584344_100000747473 [1,1,0,0,0,0|2,0,0]=4 1439 B15R1.1803 COc1cc(c(cc1C)N)SCC(=O)[O-] 62a_100020667443_200010584344 [1,1,0,0,0,0|1,0,1]=4 1440 B15R1.1803 COc1cc(c(cc1C)N)SCC(=O)[O-] 62a_200010584344_100020667443 [1,1,0,0,0,0|1,0,1]=4 1441 B15R1.1803 COc1cc(c(cc1O)F)SCC(=O)N 62a_100000747473_100010189133 [1,1,0,0,0,0|2,0,0]=4 1442 B15R1.1803 COc1cc(c(cc1O)F)SCC(=O)[O-] 62a_100020667443_100010189133 [1,1,0,0,0,0|1,0,1]=4 1443 B15R1.4037 COc1cc(ccc1C)C(=O)CC(=O)N 1458a_100000212341_100000187820 [1,1,0,0,0,0|1,0,1]=4 1444 B15R1.4037 COc1cc(ccc1C)C(=O)CC(=O)[O-] 1458a_100000212341_100020667443 [1,1,0,0,0,0|0,0,2]=4 1445 B15R1.4037 COc1cc(ccc1O)C(=O)CC(=O)C 1458a_100000070787_100010206313 [1,1,0,0,0,0|1,0,1]=4 1446 B15R1.4037 COc1cc(ccc1O)C(=O)CC(=O)N 1458a_100000687070_100000187820 [1,1,0,0,0,0|1,0,1]=4 1447 B15R1.4037 COc1cc(ccc1O)C(=O)CC(=O)[O-] 1458a_100000687070_100020667443 [1,1,0,0,0,0|0,0,2]=4 1448 B15R1.4038 COc1cc(ccc1C)NC(C)C(=O)C 2230a_100011279678_100009814033 [1,1,0,0,0,0|2,0,0]=4 1449 B15R1.4038 COc1cc(ccc1C)NC(C)C(=O)N 2230a_100011279678_100000702099 [1,1,0,0,0,0|2,0,0]=4 1450 B15R1.4038 COc1cc(ccc1C)NC(C)C(=O)N 34a_100011279678_100000702099 [1,1,0,0,0,0|2,0,0]=4 1451 B15R1.4038 COc1cc(ccc1C)NC(F)C(=O)N 2230a_100011279678_100009813875 [1,1,0,0,0,0|2,0,0]=4 1452 B15R1.4038 COc1cc(ccc1C)NC(F)C(=O)N 34a_100011279678_100009813875 [1,1,0,0,0,0|2,0,0]=4 1453 B15R1.4038 COc1cc(ccc1C)NC(F)C(=O)[O-] 34a_100011279678_100020610796 [1,1,0,0,0,0|1,0,1]=4 1454 B15R1.4038 COc1cc(ccc1C)OC(C)C(=O)C 7a_100009865632_100000179758 [1,1,0,0,0,0|2,0,0]=4 1455 B15R1.4038 COc1cc(ccc1C)OC(C)C(=O)N 34a_100009865632_100000702099 [1,1,0,0,0,0|2,0,0]=4 1456 B15R1.4038 COc1cc(ccc1C)OC(C)C(=O)N 7a_100009865632_100000702099 [1,1,0,0,0,0|2,0,0]=4 1457 B15R1.4038 COc1cc(ccc1C)OC(F)C(=O)N 34a_100009865632_100009813875 [1,1,0,0,0,0|2,0,0]=4 1458 B15R1.4038 COc1cc(ccc1C)OC(F)C(=O)N 7a_100009865632_100009813875 [1,1,0,0,0,0|2,0,0]=4 1459 B15R1.4038 COc1cc(ccc1C)OC(F)C(=O)[O-] 34a_100009865632_100020610796 [1,1,0,0,0,0|1,0,1]=4 1460 B15R1.4038 COc1cc(ccc1C)SC(C)C(=O)C 62a_100009814033_100011830276 [1,1,0,0,0,0|2,0,0]=4 1461 B15R1.4038 COc1cc(ccc1C)SC(C)C(=O)C 62a_100011830276_100009814033 [1,1,0,0,0,0|2,0,0]=4 1462 B15R1.4038 COc1cc(ccc1C)SC(C)C(=O)N 62a_100000702099_100011830276 [1,1,0,0,0,0|2,0,0]=4 1463 B15R1.4038 COc1cc(ccc1C)SC(C)C(=O)N 62a_100011830276_100000702099 [1,1,0,0,0,0|2,0,0]=4 1464 B15R1.4038 COc1cc(ccc1C)SC(F)C(=O)N 62a_100009813875_100011830276 [1,1,0,0,0,0|2,0,0]=4 1465 B15R1.4038 COc1cc(ccc1C)SC(F)C(=O)N 62a_100011830276_100009813875 [1,1,0,0,0,0|2,0,0]=4 1466 B15R1.4038 COc1cc(ccc1C)SC(F)C(=O)[O-] 62a_100011830276_100020610796 [1,1,0,0,0,0|1,0,1]=4 1467 B15R1.4038 COc1cc(ccc1C)SC(F)C(=O)[O-] 62a_100020610796_100011830276 [1,1,0,0,0,0|1,0,1]=4 1468 B15R1.4038 COc1cc(ccc1O)NC(C)C(=O)N 34a_100000726020_100000702099 [1,1,0,0,0,0|2,0,0]=4 1469 B15R1.4038 COc1cc(ccc1O)NC(F)C(=O)N 34a_100000726020_100009813875 [1,1,0,0,0,0|2,0,0]=4 1470 B15R1.4038 COc1cc(ccc1O)NC(F)C(=O)[O-] 34a_100000726020_100020610796 [1,1,0,0,0,0|1,0,1]=4 1471 B15R1.4038 COc1cc(ccc1O)SC(C)C(=O)C 62a_100009814033_100000694246 [1,1,0,0,0,0|2,0,0]=4 1472 B15R1.4038 COc1cc(ccc1O)SC(C)C(=O)N 62a_100000702099_100000694246 [1,1,0,0,0,0|2,0,0]=4 1473 B15R1.4038 COc1cc(ccc1O)SC(F)C(=O)N 62a_100009813875_100000694246 [1,1,0,0,0,0|2,0,0]=4 1474 B15R1.4038 COc1cc(ccc1O)SC(F)C(=O)[O-] 62a_100020610796_100000694246 [1,1,0,0,0,0|1,0,1]=4 1475 B15R1.4039 C#CC(=O)CCc1ccc(c(c1)OC)O 1458a_100000211873_100010741665 [1,1,0,0,0,0|1,0,0]=3 1476 B15R1.4039 C=CC(=O)CCc1ccc(c(c1)OC)O 1458a_100000185746_100010741665 [1,1,0,0,0,0|1,0,0]=3 1477 B15R1.4039 C=CC(=O)NCc1ccc(c(c1)OC)O 240690a_100000185554_200121576911 [1,1,0,0,0,0|2,0,0]=4 1478 B15R1.4039 CCC(=O)CCc1ccc(c(c1)OC)C 1458a_200000066385_100000210202 [1,1,0,0,0,0|1,0,0]=3 1479 B15R1.4039 CCC(=O)CCc1ccc(c(c1)OC)F 1458a_100009849056_100000210202 [1,1,0,0,0,0|2,0,0]=4 1480 B15R1.4039 CCC(=O)CCc1ccc(c(c1)OC)O 1458a_100000210414_100010741665 [1,1,0,0,0,0|1,0,0]=3 1481 B15R1.4039 CCC(=O)CCc1ccc(c(c1)OC)O 1458a_100011216321_100000210202 [1,1,0,0,0,0|1,0,0]=3 1482 B15R1.4039 CCC(=O)COc1ccc(c(c1)OC)C 7a_100009865632_100000747405 [1,1,0,0,0,0|2,0,0]=4 1483 B15R1.4039 CCC(=O)CSc1ccc(c(c1)OC)C 62a_100000747405_100011830276 [1,1,0,0,0,0|2,0,0]=4 1484 B15R1.4039 CCC(=O)CSc1ccc(c(c1)OC)C 62a_100011830276_100000747405 [1,1,0,0,0,0|2,0,0]=4 1485 B15R1.4039 CCC(=O)CSc1ccc(c(c1)OC)O 62a_100000747405_100000694246 [1,1,0,0,0,0|2,0,0]=4 1486 B15R1.4039 CCC(=O)NCc1ccc(c(c1)OC)O 11a_100000185554_100000210414 [1,1,0,0,0,0|2,0,0]=4 1487 B15R1.4039 CCC(=O)NCc1ccc(c(c1)OC)O 240690a_100000185554_100000210414 [1,1,0,0,0,0|2,0,0]=4 1488 B15R1.4039 CCC(=O)NCc1ccc(c(c1)OC)O 527a_100000185554_100000210414 [1,1,0,0,0,0|2,0,0]=4 1489 B15R1.4039 CCc1cc(ccc1O)SCC(=O)OC 62a_100000747449_100012338938 [1,1,0,0,0,0|2,0,0]=4 1490 B15R1.4039 CNC(=O)CCc1ccc(c(c1)OC)C 11a_106832991635_200000066385 [1,1,0,0,0,0|1,0,0]=3 1491 B15R1.4039 CNC(=O)CCc1ccc(c(c1)OC)C 1626a_100102657272_200000066385 [1,1,0,0,0,0|1,0,0]=3 1492 B15R1.4039 CNC(=O)CCc1ccc(c(c1)OC)C 240690a_100102657272_200000066385 [1,1,0,0,0,0|1,0,0]=3 1493 B15R1.4039 CNC(=O)CCc1ccc(c(c1)OC)C 527a_100102657272_200000066385 [1,1,0,0,0,0|1,0,0]=3 1494 B15R1.4039 CNC(=O)CCc1ccc(c(c1)OC)F 11a_106832991635_100009849056 [1,1,0,0,0,0|2,0,0]=4 1495 B15R1.4039 CNC(=O)CCc1ccc(c(c1)OC)F 1626a_100102657272_100009849056 [1,1,0,0,0,0|2,0,0]=4 1496 B15R1.4039 CNC(=O)CCc1ccc(c(c1)OC)F 240690a_100102657272_100009849056 [1,1,0,0,0,0|2,0,0]=4 1497 B15R1.4039 CNC(=O)CCc1ccc(c(c1)OC)F 527a_100102657272_100009849056 [1,1,0,0,0,0|2,0,0]=4 1498 B15R1.4039 CNC(=O)CCc1ccc(c(c1)OC)O 240690a_100102657272_100011216321 [1,1,0,0,0,0|1,0,0]=3 1499 B15R1.4039 CNC(=O)CNc1ccc(c(c1)OC)C 2230a_100011279678_100000183359 [1,1,0,0,0,0|2,0,0]=4 1500 B15R1.4039 CNC(=O)CNc1ccc(c(c1)OC)C 34a_100011279678_100000183359 [1,1,0,0,0,0|2,0,0]=4 1501 B15R1.4039 CNC(=O)CNc1ccc(c(c1)OC)O 34a_100000726020_100000183359 [1,1,0,0,0,0|2,0,0]=4 1502 B15R1.4039 CNC(=O)COc1ccc(c(c1)OC)C 34a_100009865632_100000183359 [1,1,0,0,0,0|2,0,0]=4 1503 B15R1.4039 CNC(=O)COc1ccc(c(c1)OC)C 7a_100009865632_100000183359 [1,1,0,0,0,0|2,0,0]=4 1504 B15R1.4039 CNC(=O)CSc1ccc(c(c1)OC)C 62a_100000183359_100011830276 [1,1,0,0,0,0|2,0,0]=4 1505 B15R1.4039 CNC(=O)CSc1ccc(c(c1)OC)C 62a_100011830276_100000183359 [1,1,0,0,0,0|2,0,0]=4 1506 B15R1.4039 CNC(=O)CSc1ccc(c(c1)OC)O 62a_100000183359_100000694246 [1,1,0,0,0,0|2,0,0]=4 1507 B15R1.4039 CNC(=O)NCc1ccc(c(c1)OC)O 2708a_100000185554_106832991635 [1,1,0,0,0,0|2,0,0]=4 1508 B15R1.4039 CNC(=O)NCc1ccc(c(c1)OC)O 2708a_100102657272_100000185554 [1,1,0,0,0,0|2,0,0]=4 1509 B15R1.4039 CNC(=O)NCc1ccc(c(c1)OC)O 273464a_100000185554_100102657272 [1,1,0,0,0,0|2,0,0]=4 1510 B15R1.4039 CNC(=O)NCc1ccc(c(c1)OC)O 273464a_100102657272_100000185554 [1,1,0,0,0,0|2,0,0]=4 1511 B15R1.4039 CNC(=O)NCc1ccc(c(c1)OC)O 512a_106832991638_100000185554 [1,1,0,0,0,0|2,0,0]=4 1512 B15R1.4039 CNc1cc(ccc1C)SCC(=O)OC 62a_100000747449_100020629602 [1,1,0,0,0,0|2,0,0]=4 1513 B15R1.4039 CNc1cc(ccc1C)SCC(=O)OC 62a_100020629602_100000747449 [1,1,0,0,0,0|2,0,0]=4 1514 B15R1.4039 COC(=O)CNc1ccc(c(c1)OC)Br 2230a_100000765947_100000747449 [1,1,0,0,0,0|2,0,0]=4 1515 B15R1.4039 COC(=O)CNc1ccc(c(c1)OC)Br 34a_100000765947_100000747449 [1,1,0,0,0,0|2,0,0]=4 1516 B15R1.4039 COC(=O)CNc1ccc(c(c1)OC)C 2230a_100011279678_100000747449 [1,1,0,0,0,0|1,0,0]=3 1517 B15R1.4039 COC(=O)CNc1ccc(c(c1)OC)C 34a_100011279678_100000747449 [1,1,0,0,0,0|1,0,0]=3 1518 B15R1.4039 COC(=O)CNc1ccc(c(c1)OC)Cl 2230a_100000742311_100000747449 [1,1,0,0,0,0|2,0,0]=4 1519 B15R1.4039 COC(=O)CNc1ccc(c(c1)OC)Cl 34a_100000742311_100000747449 [1,1,0,0,0,0|2,0,0]=4 1520 B15R1.4039 COC(=O)CNc1ccc(c(c1)OC)F 2230a_100000701188_100000747449 [1,1,0,0,0,0|2,0,0]=4 1521 B15R1.4039 COC(=O)CNc1ccc(c(c1)OC)F 34a_100000701188_100000747449 [1,1,0,0,0,0|2,0,0]=4 1522 B15R1.4039 COC(=O)CNc1ccc(c(c1)OC)I 34a_100000746945_100000747449 [1,1,0,0,0,0|2,0,0]=4 1523 B15R1.4039 COC(=O)CNc1ccc(c(c1)OC)O 34a_100000726020_100000747449 [1,1,0,0,0,0|1,0,0]=3 1524 B15R1.4039 COC(=O)COc1ccc(c(c1)OC)Br 34a_100011827694_100000747449 [1,1,0,0,0,0|2,0,0]=4 1525 B15R1.4039 COC(=O)COc1ccc(c(c1)OC)Br 7a_100011827694_100000747449 [1,1,0,0,0,0|2,0,0]=4 1526 B15R1.4039 COC(=O)COc1ccc(c(c1)OC)C 34a_100009865632_100000747449 [1,1,0,0,0,0|1,0,0]=3 1527 B15R1.4039 COC(=O)COc1ccc(c(c1)OC)C 7a_100009865632_100000747449 [1,1,0,0,0,0|1,0,0]=3 1528 B15R1.4039 COC(=O)COc1ccc(c(c1)OC)Cl 34a_100012186310_100000747449 [1,1,0,0,0,0|2,0,0]=4 1529 B15R1.4039 COC(=O)COc1ccc(c(c1)OC)Cl 7a_100012186310_100000747449 [1,1,0,0,0,0|2,0,0]=4 1530 B15R1.4039 COC(=O)COc1ccc(c(c1)OC)F 34a_100012001760_100000747449 [1,1,0,0,0,0|2,0,0]=4 1531 B15R1.4039 COC(=O)COc1ccc(c(c1)OC)F 7a_100012001760_100000747449 [1,1,0,0,0,0|2,0,0]=4 1532 B15R1.4039 COC(=O)COc1ccc(c(c1)OC)N 34a_100015326901_100000747449 [1,1,0,0,0,0|2,0,0]=4 1533 B15R1.4039 COC(=O)COc1ccc(c(c1)OC)N 7a_100015326901_100000747449 [1,1,0,0,0,0|2,0,0]=4 1534 B15R1.4039 COC(=O)CSc1cc(c(cn1)C)OC 62a_100000747449_100010067687 [1,1,0,0,0,0|2,0,0]=4 1535 B15R1.4039 COC(=O)CSc1cc(c(cn1)C)OC 62a_100010067687_100000747449 [1,1,0,0,0,0|2,0,0]=4 1536 B15R1.4039 COC(=O)CSc1ccc(c(c1)OC)Br 62a_100000747449_100012353699 [1,1,0,0,0,0|2,0,0]=4 1537 B15R1.4039 COC(=O)CSc1ccc(c(c1)OC)Br 62a_100012353699_100000747449 [1,1,0,0,0,0|2,0,0]=4 1538 B15R1.4039 COC(=O)CSc1ccc(c(c1)OC)C 62a_100000747449_100011830276 [1,1,0,0,0,0|1,0,0]=3 1539 B15R1.4039 COC(=O)CSc1ccc(c(c1)OC)C 62a_100011830276_100000747449 [1,1,0,0,0,0|1,0,0]=3 1540 B15R1.4039 COC(=O)CSc1ccc(c(c1)OC)Cl 62a_100000747449_100011356853 [1,1,0,0,0,0|2,0,0]=4 1541 B15R1.4039 COC(=O)CSc1ccc(c(c1)OC)Cl 62a_100011356853_100000747449 [1,1,0,0,0,0|2,0,0]=4 1542 B15R1.4039 COC(=O)CSc1ccc(c(c1)OC)F 62a_100000747449_100011934186 [1,1,0,0,0,0|2,0,0]=4 1543 B15R1.4039 COC(=O)CSc1ccc(c(c1)OC)F 62a_100011934186_100000747449 [1,1,0,0,0,0|2,0,0]=4 1544 B15R1.4039 COC(=O)CSc1ccc(c(c1)OC)N 62a_100000747449_100015196925 [1,1,0,0,0,0|2,0,0]=4 1545 B15R1.4039 COC(=O)CSc1ccc(c(c1)OC)N 62a_100011279103_100000747449 [1,1,0,0,0,0|2,0,0]=4 1546 B15R1.4039 COC(=O)CSc1ccc(c(c1)OC)O 62a_100000747449_100000694246 [1,1,0,0,0,0|1,0,0]=3 1547 B15R1.4039 COC(=O)CSc1ccc(c(n1)OC)O 62a_100000747449_100010893133 [1,1,0,0,0,0|2,0,0]=4 1548 B15R1.4039 COC(=O)CSc1cnc(c(c1)OC)C 62a_100000747449_100010254219 [1,1,0,0,0,0|2,0,0]=4 1549 B15R1.4039 COC(=O)CSc1cnc(c(c1)OC)C 62a_100010254219_100000747449 [1,1,0,0,0,0|2,0,0]=4 1550 B15R1.4039 COc1cc(ccc1C)CCC(=O)CF 1458a_200000066385_100015361967 [1,1,0,0,0,0|1,0,0]=3 1551 B15R1.4039 COc1cc(ccc1Cl)CNC(=O)CO 240690a_100015204853_100000210174 [1,1,0,0,0,0|2,0,0]=4 1552 B15R1.4039 COc1cc(ccc1Cl)CNC(=O)CO 527a_100015204853_100000210174 [1,1,0,0,0,0|2,0,0]=4 1553 B15R1.4039 COc1cc(ccc1F)CCC(=O)CF 1458a_100009849056_100015361967 [1,1,0,0,0,0|2,0,0]=4 1554 B15R1.4039 COc1cc(ccc1F)CNC(=O)CO 240690a_100020626639_100000210174 [1,1,0,0,0,0|2,0,0]=4 1555 B15R1.4039 COc1cc(ccc1F)CNC(=O)CO 527a_100020626639_100000210174 [1,1,0,0,0,0|2,0,0]=4 1556 B15R1.4039 COc1cc(ccc1O)CCC(=O)CF 1458a_100011216321_100015361967 [1,1,0,0,0,0|1,0,0]=3 1557 B15R1.4039 COc1cc(ccc1O)CCC(=O)CO 1458a_100000210174_100010741665 [1,1,0,0,0,0|0,0,0]=2 1558 B15R1.4039 COc1cc(ccc1O)CNC(=O)CO 240690a_100000185554_100000210174 [1,1,0,0,0,0|1,0,0]=3 1559 B15R1.4039 COc1cc(ccc1O)CNC(=O)CO 527a_100000185554_100000210174 [1,1,0,0,0,0|1,0,0]=3 1560 B15R1.815 C=CCC(=O)c1ccc(c(c1)OC)OC 1458a_100000211223_100000210623 [1,1,0,0,0,0|1,0,1]=4 1561 B15R1.815 CNCC(C)c1ccc(c(c1)OC)OC 270004a_106832991635_100000697277 [1,1,0,0,0,0|2,0,0]=4 1562 B15R1.815 COC[C@H](N)c1ccc(c(c1)OC)OC 34a_100009818805_200000210301 [1,1,0,0,0,0|2,0,0]=4 1563 B15R1.815 COc1ccc(cc1OC)C(=O)CCO 1458a_100000211223_100000211926 [1,1,0,0,0,0|0,0,2]=4 1564 B15R1.815 COc1ccc(cc1OC)[C@@H](N)CO[13CH3] 34a_100009818805_200025704644 [1,1,0,0,0,0|2,0,0]=4 1565 B15R1.1062 COc1cc(ccc1C(=O)C)OCC=O 34a_100000116857_200009817547 [1,1,0,0,0,0|2,0,0]=4 1566 B15R1.1062 COc1cc(ccc1C(=O)C)OCC=O 7a_100000116857_200015260668 [1,1,0,0,0,0|2,0,0]=4 1567 B15R1.1062 COc1cc(ccc1C(=O)C)SCC=O 62a_100000709911_200015260668 [1,1,0,0,0,0|2,0,0]=4 1568 B15R1.1195 C#CCCNc1ccc(c(c1)OC)OC 34a_100000187404_100000688953 [1,1,0,0,0,0|1,0,1]=4 1569 B15R1.1195 C#CCCOc1ccc(c(c1)OC)OC 34a_100000039706_100000688953 [1,1,0,0,0,0|1,0,1]=4 1570 B15R1.1195 C#CCCSc1ccc(c(c1)OC)OC 62a_100000688953_100011356967 [1,1,0,0,0,0|1,0,1]=4 1571 B15R1.1195 C#CCNCc1ccc(c(c1)OC)OC 34a_100000185555_100000184674 [1,1,0,0,0,0|1,0,1]=4 1572 B15R1.1195 C#CCOCc1ccc(c(c1)OC)OC 34a_100000210929_100000184674 [1,1,0,0,0,0|1,0,1]=4 1573 B15R1.1195 C#CCSCc1ccc(c(c1)OC)OC 62a_100000038162_100011233839 [1,1,0,0,0,0|1,0,1]=4 1574 B15R1.1195 C/C=C/CNc1ccc(c(c1)OC)OC 34a_100000187404_100102629194 [1,1,0,0,0,0|1,0,1]=4 1575 B15R1.1195 C/C=C/COc1ccc(c(c1)OC)OC 34a_100000039706_100102629194 [1,1,0,0,0,0|1,0,1]=4 1576 B15R1.1195 C/C=C/CSc1ccc(c(c1)OC)OC 62a_100102629194_100011356967 [1,1,0,0,0,0|1,0,1]=4 1577 B15R1.1195 C=CCCNc1ccc(c(c1)OC)OC 34a_100000187404_100000754431 [1,1,0,0,0,0|1,0,0]=3 1578 B15R1.1195 C=CCCOc1ccc(c(c1)OC)OC 34a_100000039706_100000754431 [1,1,0,0,0,0|1,0,0]=3 1579 B15R1.1195 C=CCCSc1ccc(c(c1)CC)OC 62a_100000754431_200010179862 [1,1,0,0,0,0|2,0,0]=4 1580 B15R1.1195 C=CCCSc1ccc(c(c1)CC)OC 62a_200010179862_100000754431 [1,1,0,0,0,0|2,0,0]=4 1581 B15R1.1195 C=CCCSc1ccc(c(c1)OC)CC 62a_100000754431_200010710398 [1,1,0,0,0,0|2,0,0]=4 1582 B15R1.1195 C=CCCSc1ccc(c(c1)OC)CC 62a_200010710398_100000754431 [1,1,0,0,0,0|2,0,0]=4 1583 B15R1.1195 C=CCCSc1ccc(c(c1)OC)OC 62a_100000754431_100011356967 [1,1,0,0,0,0|1,0,0]=3 1584 B15R1.1195 C=CCCSc1ccc(c(c1)OC)SC 62a_200011001119_100000754431 [1,1,0,0,0,0|1,1,0]=4 1585 B15R1.1195 C=CCCSc1ccc(c(c1)SC)OC 62a_200009892704_100000754431 [1,1,0,0,0,0|1,1,0]=4 1586 B15R1.1195 C=CCCSc1ccc(c(n1)OC)OC 62a_100000754431_100010214848 [1,1,0,0,0,0|2,0,0]=4 1587 B15R1.1195 C=CCCSc1cnc(c(c1)OC)OC 62a_100000754431_100010234541 [1,1,0,0,0,0|2,0,0]=4 1588 B15R1.1195 C=CCNCc1ccc(c(c1)OC)OC 2230a_100020586998_100011233839 [1,1,0,0,0,0|1,0,0]=3 1589 B15R1.1195 C=CCNCc1ccc(c(c1)OC)OC 270004a_100020586998_100000170513 [1,1,0,0,0,0|1,0,0]=3 1590 B15R1.1195 C=CCNCc1ccc(c(c1)OC)OC 34a_100000185555_100015514636 [1,1,0,0,0,0|1,0,0]=3 1591 B15R1.1195 C=CCNCc1ccc(c(c1)OC)SC 270004a_100020586998_100000050949 [1,1,0,0,0,0|1,1,0]=4 1592 B15R1.1195 C=CCNCc1cnc(c(c1)OC)OC 270004a_100020586998_100000117638 [1,1,0,0,0,0|2,0,0]=4 1593 B15R1.1195 C=CCOCc1ccc(c(c1)OC)OC 34a_100000210929_100015514636 [1,1,0,0,0,0|1,0,0]=3 1594 B15R1.1195 C=CCSCc1ccc(c(c1)OC)OC 62a_100000210623_100011233839 [1,1,0,0,0,0|1,0,0]=3 1595 B15R1.1195 CC=CCNc1ccc(c(c1)OC)OC 34a_100000187404_100000070051 [1,1,0,0,0,0|1,0,1]=4 1596 B15R1.1195 CC=CCOc1ccc(c(c1)OC)OC 34a_100000039706_100000070051 [1,1,0,0,0,0|1,0,1]=4 1597 B15R1.1195 CC=CCSc1ccc(c(c1)OC)OC 62a_100000070051_100011356967 [1,1,0,0,0,0|1,0,1]=4 1598 B15R1.1195 CCCCNc1ccc(c(c1)OC)OC 34a_100000187404_100000210210 [1,1,0,0,0,0|1,0,1]=4 1599 B15R1.1195 CCCCOc1ccc(c(c1)OC)OC 34a_100000039706_100000210210 [1,1,0,0,0,0|1,0,1]=4 1600 B15R1.1195 CCCCSc1ccc(c(c1)OC)OC 62a_100000210211_100011356967 [1,1,0,0,0,0|1,0,1]=4 1601 B15R1.1195 CCCNCc1ccc(c(c1)OC)OC 207a_100020643023_100000170513 [1,1,0,0,0,0|1,0,1]=4 1602 B15R1.1195 CCCNCc1ccc(c(c1)OC)OC 270004a_100020643023_100000170513 [1,1,0,0,0,0|1,0,1]=4 1603 B15R1.1195 CCCNCc1ccc(c(c1)OC)OC 34a_100000185555_100000210303 [1,1,0,0,0,0|1,0,1]=4 1604 B15R1.1195 CCCOCc1ccc(c(c1)OC)OC 34a_100000210929_100000210303 [1,1,0,0,0,0|1,0,1]=4 1605 B15R1.1195 CCCSCc1ccc(c(c1)OC)OC 62a_100000210303_100011233839 [1,1,0,0,0,0|1,0,1]=4 1606 B15R1.1195 CCNCCc1ccc(c(c1)OC)OC 2230a_100000210947_100000210202 [1,1,0,0,0,0|1,0,1]=4 1607 B15R1.1195 CCNCCc1ccc(c(c1)OC)OC 2230a_100015525214_100011273988 [1,1,0,0,0,0|1,0,1]=4 1608 B15R1.1195 CCNCCc1ccc(c(c1)OC)OC 270004a_100015525214_100011754369 [1,1,0,0,0,0|1,0,1]=4 1609 B15R1.1195 CCNCCc1ccc(c(c1)OC)OC 34a_100000210947_100000210202 [1,1,0,0,0,0|1,0,1]=4 1610 B15R1.1195 CCOCCc1ccc(c(c1)OC)OC 34a_100011215274_100000210202 [1,1,0,0,0,0|1,0,1]=4 1611 B15R1.1195 CCOCCc1ccc(c(c1)OC)OC 34a_100121572206_100011273988 [1,1,0,0,0,0|1,0,1]=4 1612 B15R1.1195 CCSCCc1ccc(c(c1)OC)OC 62a_100000210202_100011740610 [1,1,0,0,0,0|1,0,1]=4 1613 B15R1.1195 CCc1cc(ccc1OC)SCCCO 62a_100011215043_200010179862 [1,1,0,0,0,0|1,0,1]=4 1614 B15R1.1195 CCc1cc(ccc1OC)SCCCO 62a_200010179862_100011215043 [1,1,0,0,0,0|1,0,1]=4 1615 B15R1.1195 CCc1ccc(cc1OC)SCCCO 62a_100011215043_200010710398 [1,1,0,0,0,0|1,0,1]=4 1616 B15R1.1195 CCc1ccc(cc1OC)SCCCO 62a_200010710398_100011215043 [1,1,0,0,0,0|1,0,1]=4 1617 B15R1.1195 CNCCCc1ccc(c(c1)OC)OC 2230a_100000745738_200000210301 [1,1,0,0,0,0|1,0,1]=4 1618 B15R1.1195 CNCCCc1ccc(c(c1)OC)OC 2230a_106832991635_200012094798 [1,1,0,0,0,0|1,0,1]=4 1619 B15R1.1195 CNCCCc1ccc(c(c1)OC)OC 34a_100000745738_200000210301 [1,1,0,0,0,0|1,0,1]=4 1620 B15R1.1195 CNCCCc1ccc(c(c1)OC)OC 34a_100102657272_200012094798 [1,1,0,0,0,0|1,0,1]=4 1621 B15R1.1195 CNCCCc1ccc(c(c1)OC)OC 7a_106832991635_200012094798 [1,1,0,0,0,0|1,0,1]=4 1622 B15R1.1195 COCCCc1ccc(c(c1)OC)OC 34a_100011219617_200000210301 [1,1,0,0,0,0|0,0,1]=3 1623 B15R1.1195 COCCCc1ccc(c(c1)OC)OC 34a_100138415774_200012094798 [1,1,0,0,0,0|0,0,1]=3 1624 B15R1.1195 COCCCc1ccc(c(c1)OC)OC 7a_100011219617_200000210301 [1,1,0,0,0,0|0,0,1]=3 1625 B15R1.1195 COCCNc1ccc(c(c1)OC)OC 34a_100000187404_100011201679 [1,1,0,0,0,0|1,0,1]=4 1626 B15R1.1195 COCCOc1ccc(c(c1)OC)OC 34a_100000039706_100011201679 [1,1,0,0,0,0|1,0,1]=4 1627 B15R1.1195 COCCSc1ccc(c(c1)OC)OC 62a_100000233755_100011356967 [1,1,0,0,0,0|1,0,1]=4 1628 B15R1.1195 COCSCc1ccc(c(c1)OC)OC 62a_100000766300_100011233839 [1,1,0,0,0,0|1,0,1]=4 1629 B15R1.1195 COc1cc(ccc1SC)CNCCO 207a_100000210304_100000050949 [1,1,0,0,0,0|0,1,1]=4 1630 B15R1.1195 COc1cc(ccc1SC)CNCCO 270004a_100000210304_100000050949 [1,1,0,0,0,0|0,1,1]=4 1631 B15R1.1195 COc1cc(ccc1SC)SCCCO 62a_200011001119_100011215043 [1,1,0,0,0,0|0,1,1]=4 1632 B15R1.1195 COc1cc(cnc1OC)CNCCO 207a_100000210304_100000117638 [1,1,0,0,0,0|1,0,1]=4 1633 B15R1.1195 COc1cc(cnc1OC)CNCCO 270004a_100000210304_100000117638 [1,1,0,0,0,0|1,0,1]=4 1634 B15R1.1195 COc1cc(cnc1OC)SCCCO 62a_100011215043_100010234541 [1,1,0,0,0,0|1,0,1]=4 1635 B15R1.1195 COc1ccc(cc1OC)CCCN[13CH3] 2230a_100000745738_200025704644 [1,1,0,0,0,0|1,0,1]=4 1636 B15R1.1195 COc1ccc(cc1OC)CCCN[13CH3] 34a_100000745738_200025704644 [1,1,0,0,0,0|1,0,1]=4 1637 B15R1.1195 COc1ccc(cc1OC)CCCO[13CH3] 34a_100011219617_200025704644 [1,1,0,0,0,0|0,0,1]=3 1638 B15R1.1195 COc1ccc(cc1OC)CCCO[13CH3] 7a_100011219617_200025704644 [1,1,0,0,0,0|0,0,1]=3 1639 B15R1.1195 COc1ccc(cc1OC)CCCSC 62a_200000210301_200012094798 [1,1,0,0,0,0|0,1,1]=4 1640 B15R1.1195 COc1ccc(cc1OC)CCCSC 62a_200012094798_200000210301 [1,1,0,0,0,0|0,1,1]=4 1641 B15R1.1195 COc1ccc(cc1OC)CCCS[13CH3] 62a_200012094798_200025704644 [1,1,0,0,0,0|0,1,1]=4 1642 B15R1.1195 COc1ccc(cc1OC)CCCS[13CH3] 62a_200025704644_200012094798 [1,1,0,0,0,0|0,1,1]=4 1643 B15R1.1195 COc1ccc(cc1OC)CCNCF 34a_100000210947_100015361967 [1,1,0,0,0,0|1,0,1]=4 1644 B15R1.1195 COc1ccc(cc1OC)CCOCF 34a_100011215274_100015361967 [1,1,0,0,0,0|1,0,1]=4 1645 B15R1.1195 COc1ccc(cc1OC)CCSCF 62a_100015361967_100011740610 [1,1,0,0,0,0|1,0,1]=4 1646 B15R1.1195 COc1ccc(cc1OC)CNCC=O 34a_100000185555_200009817547 [1,1,0,0,0,0|0,0,0]=2 1647 B15R1.1195 COc1ccc(cc1OC)CNCCF 34a_100000185555_100011217306 [1,1,0,0,0,0|1,0,1]=4 1648 B15R1.1195 COc1ccc(cc1OC)CNCCO 207a_100000210304_100000170513 [1,1,0,0,0,0|0,0,1]=3 1649 B15R1.1195 COc1ccc(cc1OC)CNCCO 2230a_100016997473_100011233839 [1,1,0,0,0,0|0,0,1]=3 1650 B15R1.1195 COc1ccc(cc1OC)CNCCO 270004a_100000210304_100000170513 [1,1,0,0,0,0|0,0,1]=3 1651 B15R1.1195 COc1ccc(cc1OC)CNCCO 34a_100000185555_100000211926 [1,1,0,0,0,0|0,0,1]=3 1652 B15R1.1195 COc1ccc(cc1OC)CNCSC 34a_100000185555_100011218213 [1,1,0,0,0,0|2,0,0]=4 1653 B15R1.1195 COc1ccc(cc1OC)COCC=O 34a_100000210929_200009817547 [1,1,0,0,0,0|0,0,0]=2 1654 B15R1.1195 COc1ccc(cc1OC)COCCF 34a_100000210929_100011217306 [1,1,0,0,0,0|1,0,1]=4 1655 B15R1.1195 COc1ccc(cc1OC)COCCO 34a_100000210929_100000211926 [1,1,0,0,0,0|0,0,1]=3 1656 B15R1.1195 COc1ccc(cc1OC)COCSC 34a_100000210929_100011218213 [1,1,0,0,0,0|2,0,0]=4 1657 B15R1.1195 COc1ccc(cc1OC)CSCC#N 62a_100011215382_100011233839 [1,1,0,0,0,0|1,0,1]=4 1658 B15R1.1195 COc1ccc(cc1OC)CSCC=O 62a_200015260668_100011233839 [1,1,0,0,0,0|0,0,0]=2 1659 B15R1.1195 COc1ccc(cc1OC)CSCCF 62a_100011217306_100011233839 [1,1,0,0,0,0|1,0,1]=4 1660 B15R1.1195 COc1ccc(cc1OC)CSCCO 62a_100000211926_100011233839 [1,1,0,0,0,0|0,0,1]=3 1661 B15R1.1195 COc1ccc(cc1OC)CSCSC 62a_100011218213_100011233839 [1,1,0,0,0,0|2,0,0]=4 1662 B15R1.1195 COc1ccc(cc1OC)NCCCF 34a_100000187404_100011934791 [1,1,0,0,0,0|1,0,1]=4 1663 B15R1.1195 COc1ccc(cc1OC)NCCCO 34a_100000187404_100000230001 [1,1,0,0,0,0|0,0,1]=3 1664 B15R1.1195 COc1ccc(cc1OC)NCCSC 34a_100000187404_100000212216 [1,1,0,0,0,0|2,0,0]=4 1665 B15R1.1195 COc1ccc(cc1OC)OCCCF 34a_100000039706_100011934791 [1,1,0,0,0,0|1,0,1]=4 1666 B15R1.1195 COc1ccc(cc1OC)OCCCO 34a_100000039706_100000230001 [1,1,0,0,0,0|0,0,1]=3 1667 B15R1.1195 COc1ccc(cc1OC)OCCSC 34a_100000039706_100000212216 [1,1,0,0,0,0|2,0,0]=4 1668 B15R1.1195 COc1ccc(cc1OC)SCCC#N 62a_100011215226_100011356967 [1,1,0,0,0,0|1,0,1]=4 1669 B15R1.1195 COc1ccc(cc1OC)SCCCF 62a_100011934791_100011356967 [1,1,0,0,0,0|1,0,1]=4 1670 B15R1.1195 COc1ccc(cc1OC)SCCCO 62a_100011215043_100011356967 [1,1,0,0,0,0|0,0,1]=3 1671 B15R1.1195 COc1ccc(cc1OC)SCCSC 62a_100000212216_100011356967 [1,1,0,0,0,0|2,0,0]=4 1672 B15R1.1195 COc1ccc(cc1SC)SCCCO 62a_200009892704_100011215043 [1,1,0,0,0,0|0,1,1]=4 1673 B15R1.1195 COc1ccc(nc1OC)SCCCO 62a_100011215043_100010214848 [1,1,0,0,0,0|1,0,1]=4 1674 B15R1.3769 C=CC(C)Sc1ccc(c(c1)OC)OC 62a_100011215867_100011356967 [1,1,0,0,0,0|2,0,0]=4 1675 B15R1.3769 CNC(C)Cc1ccc(c(c1)OC)OC 270004a_106832991635_100000211454 [1,1,0,0,0,0|2,0,0]=4 1676 B15R1.3769 COc1ccc(cc1OC)CC(C)OC 34a_100011303635_200000210301 [1,1,0,0,0,0|2,0,0]=4 1677 B15R1.3769 COc1ccc(cc1OC)CC(C)OC 7a_100011303635_200000210301 [1,1,0,0,0,0|2,0,0]=4 1678 B15R1.3769 COc1ccc(cc1OC)CC(C)O[13CH3] 34a_100011303635_200025704644 [1,1,0,0,0,0|2,0,0]=4 1679 B15R1.3769 COc1ccc(cc1OC)CC(C)O[13CH3] 7a_100011303635_200025704644 [1,1,0,0,0,0|2,0,0]=4 1680 B15R1.3769 COc1ccc(cc1OC)NC(C)CO 34a_100000187404_100012180447 [1,1,0,0,0,0|1,0,1]=4 1681 B15R1.3769 COc1ccc(cc1OC)OC(C)CO 34a_100000039706_100012180447 [1,1,0,0,0,0|1,0,1]=4 1682 B15R1.3769 COc1ccc(cc1OC)SC(C)CO 62a_100012180447_100011356967 [1,1,0,0,0,0|1,0,1]=4 1683 B15R1.3769 COc1ccc(cc1OC)S[C@H](C)CO 62a_100016084084_100011356967 [1,1,0,0,0,0|1,0,1]=4 1684 B15R1.12139 C=CCSc1ccc(c(c1)COC)OC 62a_100000210623_200011493686 [1,1,0,0,0,0|2,0,0]=4 1685 B15R1.12139 C=CCSc1ccc(c(c1)COC)OC 62a_200011493686_100000210623 [1,1,0,0,0,0|2,0,0]=4 1686 B15R1.12139 CCCCc1ccc(c(c1)COC)OC 271570a_100020621405_200011493686 [1,1,0,0,0,0|1,0,1]=4 1687 B15R1.12139 CCCCc1ccc(c(c1)OCC)OC 271570a_100020621405_200010219349 [1,1,0,0,0,0|1,0,1]=4 1688 B15R1.12139 CCOc1cc(ccc1OC)CCNC 2230a_103437797692_200000210301 [1,1,0,0,0,0|2,0,0]=4 1689 B15R1.12139 CCOc1cc(ccc1OC)CCNC 34a_103437797692_200000210301 [1,1,0,0,0,0|2,0,0]=4 1690 B15R1.12139 CCOc1cc(ccc1OC)CCN[13CH3] 2230a_103437797692_200025704644 [1,1,0,0,0,0|2,0,0]=4 1691 B15R1.12139 CCOc1cc(ccc1OC)CCN[13CH3] 34a_103437797692_200025704644 [1,1,0,0,0,0|2,0,0]=4 1692 B15R1.12139 CNCc1cc(ccc1OC)SCC=O 62a_100000690607_200015260668 [1,1,0,0,0,0|2,0,0]=4 1693 B15R1.12139 CNCc1cc(ccc1OC)SCC=O 62a_200015260668_100000690607 [1,1,0,0,0,0|2,0,0]=4 1694 B15R1.12139 COCc1cc(ccc1OC)SCC=O 62a_200011493686_200015260668 [1,1,0,0,0,0|1,0,0]=3 1695 B15R1.12139 COCc1cc(ccc1OC)SCC=O 62a_200015260668_200011493686 [1,1,0,0,0,0|1,0,0]=3 1696 B15R1.12139 COCc1cc(ccc1OC)SCCO 62a_100000211926_200011493686 [1,1,0,0,0,0|1,0,1]=4 1697 B15R1.12139 COCc1cc(ccc1OC)SCCO 62a_200011493686_100000211926 [1,1,0,0,0,0|1,0,1]=4 1698 B15R1.12139 COc1ccc(cc1CCN)SCC=O 62a_100000763266_200015260668 [1,1,0,0,0,0|2,0,0]=4 1699 B15R1.12139 COc1ccc(cc1CCN)SCC=O 62a_200015260668_100000763266 [1,1,0,0,0,0|2,0,0]=4 1700 B15R1.12140 C=CCNc1ccc(c(c1)OC)OCC 2230a_100000184985_100000210623 [1,1,0,0,0,0|2,0,0]=4 1701 B15R1.12140 C=CCNc1ccc(c(c1)OC)OCC 34a_100000184985_100015514636 [1,1,0,0,0,0|2,0,0]=4 1702 B15R1.12140 CCCCc1ccc(c(c1)OC)OCC 271570a_100020621405_200012344064 [1,1,0,0,0,0|1,0,1]=4 1703 B15R1.12140 CCOc1ccc(cc1CC)SCC=O 62a_200010070707_200015260668 [1,1,0,0,0,0|2,0,0]=4 1704 B15R1.12140 CCOc1ccc(cc1CC)SCC=O 62a_200015260668_200010070707 [1,1,0,0,0,0|2,0,0]=4 1705 B15R1.12140 CCOc1ccc(cc1OC)CCCO 34a_100000060467_100000210202 [1,1,0,0,0,0|0,0,1]=3 1706 B15R1.12140 CCOc1ccc(cc1OC)CCCO 7a_100000060467_100000210202 [1,1,0,0,0,0|0,0,1]=3 1707 B15R1.12140 CCOc1ccc(cc1OC)CCNC 2230a_100011371731_200000210301 [1,1,0,0,0,0|2,0,0]=4 1708 B15R1.12140 CCOc1ccc(cc1OC)CCNC 34a_100011371731_200000210301 [1,1,0,0,0,0|2,0,0]=4 1709 B15R1.12140 CCOc1ccc(cc1OC)CCN[13CH3] 2230a_100011371731_200025704644 [1,1,0,0,0,0|2,0,0]=4 1710 B15R1.12140 CCOc1ccc(cc1OC)CCN[13CH3] 34a_100011371731_200025704644 [1,1,0,0,0,0|2,0,0]=4 1711 B15R1.12140 CCOc1ccc(cc1OC)NCC=O 2230a_100000184985_200015260668 [1,1,0,0,0,0|1,0,0]=3 1712 B15R1.12140 CCOc1ccc(cc1OC)NCC=O 34a_100000184985_200009817547 [1,1,0,0,0,0|1,0,0]=3 1713 B15R1.12140 CCOc1ccc(cc1OC)NCCO 2230a_100000184985_100000211926 [1,1,0,0,0,0|1,0,1]=4 1714 B15R1.12140 CCOc1ccc(cc1OC)NCCO 34a_100000184985_100000211926 [1,1,0,0,0,0|1,0,1]=4 1715 B15R1.12140 CCOc1ncc(cc1OC)SCC=O 62a_200015260668_200010116856 [1,1,0,0,0,0|2,0,0]=4 1716 B15R1.12140 CNCc1ccc(cc1OC)CCCO 26a_100102657272_100000060467 [1,1,0,0,0,0|1,0,1]=4 1717 B15R1.12140 COc1cc(ccc1OCF)CCCO 34a_100000060467_100015361967 [1,1,0,0,0,0|0,0,1]=3 1718 B15R1.12140 COc1cc(ccc1OCF)CCCO 7a_100000060467_100015361967 [1,1,0,0,0,0|0,0,1]=3 1719 B15R1.12146 COc1ccc(cc1C(=O)C)OCC=O 34a_100000081070_200009817547 [1,1,0,0,0,0|2,0,0]=4 1720 B15R1.12146 COc1ccc(cc1C(=O)C)OCC=O 7a_100000081070_200015260668 [1,1,0,0,0,0|2,0,0]=4 1721 B15R1.12146 COc1ccc(cc1C(=O)C)SCC=O 62a_100000173343_200015260668 [1,1,0,0,0,0|2,0,0]=4 1722 B15R1.12146 COc1ccc(cc1C(C)C)NCC=O 2230a_100025764739_200015260668 [1,1,0,0,0,0|2,0,0]=4 1723 B15R1.12146 COc1ccc(cc1C(C)C)NCC=O 34a_100025764739_200009817547 [1,1,0,0,0,0|2,0,0]=4 1724 B15R1.23243 C=CCSc1ccc(c(c1C)OC)OC 62a_100000210623_100010000156 [1,1,0,0,0,0|2,0,0]=4 1725 B15R1.23243 CCCCc1ccc(c(c1C)OC)OC 271570a_100020621405_100010000156 [1,1,0,0,0,0|1,0,1]=4 1726 B15R1.23243 COc1ccc(c(c1OC)C)SCC=O 62a_200015260668_100010000156 [1,1,0,0,0,0|1,0,0]=3 1727 B15R1.23243 COc1ccc(c(c1OC)C)SCCO 62a_100000211926_100010000156 [1,1,0,0,0,0|1,0,1]=4 1728 B15R1.38111 C=CCNc1cc(c(cc1C)OC)OC 34a_100000183460_100015514636 [1,1,0,0,0,0|2,0,0]=4 1729 B15R1.38111 C=CCNc1cc(c(cc1F)OC)OC 34a_100000753170_100015514636 [1,1,0,0,0,0|2,0,0]=4 1730 B15R1.38111 C=CCSc1cc(c(cc1F)OC)OC 62a_200011765842_100000210623 [1,1,0,0,0,0|2,0,0]=4 1731 B15R1.38111 CCCCc1cc(c(cc1F)OC)OC 271570a_100020621405_200011765842 [1,1,0,0,0,0|1,0,1]=4 1732 B15R1.38111 CNCCc1cc(c(cc1Br)OC)OC 2230a_200000215632_200000210301 [1,1,0,0,0,0|2,0,0]=4 1733 B15R1.38111 CNCCc1cc(c(cc1Br)OC)OC 34a_200000215632_200000210301 [1,1,0,0,0,0|2,0,0]=4 1734 B15R1.38111 COc1cc(c(cc1OC)CCC#N)O 271570a_203496583355_100009992945 [1,1,0,0,0,0|1,0,1]=4 1735 B15R1.38111 COc1cc(c(cc1OC)CCN[13CH3])Br 2230a_200000215632_200025704644 [1,1,0,0,0,0|2,0,0]=4 1736 B15R1.38111 COc1cc(c(cc1OC)CCN[13CH3])Br 34a_200000215632_200025704644 [1,1,0,0,0,0|2,0,0]=4 1737 B15R1.38111 COc1cc(c(cc1OC)NCC=O)C 34a_100000183460_200009817547 [1,1,0,0,0,0|1,0,0]=3 1738 B15R1.38111 COc1cc(c(cc1OC)NCC=O)F 34a_100000753170_200009817547 [1,1,0,0,0,0|1,0,0]=3 1739 B15R1.38111 COc1cc(c(cc1OC)NCCO)C 34a_100000183460_100000211926 [1,1,0,0,0,0|1,0,1]=4 1740 B15R1.38111 COc1cc(c(cc1OC)NCCO)F 34a_100000753170_100000211926 [1,1,0,0,0,0|1,0,1]=4 1741 B15R1.38111 COc1cc(c(cc1OC)SCC=O)F 62a_200011765842_200015260668 [1,1,0,0,0,0|1,0,0]=3 1742 B15R1.38111 COc1cc(c(cc1OC)SCCO)F 62a_200011765842_100000211926 [1,1,0,0,0,0|1,0,1]=4 1743 B15R1.38111 COc1cc(c(nc1OC)SCC=O)C 62a_200015260668_200011016175 [1,1,0,0,0,0|2,0,0]=4 1744 B15R1.1818 COc1cc(c(cc1C)NCC(=O)N)Br 34a_200010584344_100000187820 [1,1,0,0,0,0|2,0,0]=4 1745 B15R1.1818 COc1cc(c(cc1C)NCC(=O)N)Br 7a_200010584344_100000187820 [1,1,0,0,0,0|2,0,0]=4 1746 B15R1.1818 COc1cc(c(cc1C)NCC(=O)[O-])Br 34a_200010584344_100020667443 [1,1,0,0,0,0|1,0,1]=4 1747 B15R1.1818 COc1cc(c(cc1C)SCC(=O)N)C 62a_100000698960_100000747473 [1,1,0,0,0,0|2,0,0]=4 1748 B15R1.1818 COc1cc(c(cc1C)SCC(=O)N)C 62a_100000747473_100000698960 [1,1,0,0,0,0|2,0,0]=4 1749 B15R1.1818 COc1cc(c(cc1C)SCC(=O)N)N 62a_100000747473_100010244135 [1,1,0,0,0,0|2,0,0]=4 1750 B15R1.1818 COc1cc(c(cc1C)SCC(=O)N)N 62a_100010244135_100000747473 [1,1,0,0,0,0|2,0,0]=4 1751 B15R1.1818 COc1cc(c(cc1C)SCC(=O)[O-])C 62a_100000698960_100020667443 [1,1,0,0,0,0|1,0,1]=4 1752 B15R1.1818 COc1cc(c(cc1C)SCC(=O)[O-])C 62a_100020667443_100000698960 [1,1,0,0,0,0|1,0,1]=4 1753 B15R1.1818 COc1cc(c(cc1C)SCC(=O)[O-])N 62a_100010244135_100020667443 [1,1,0,0,0,0|1,0,1]=4 1754 B15R1.1818 COc1cc(c(cc1C)SCC(=O)[O-])N 62a_100020667443_100010244135 [1,1,0,0,0,0|1,0,1]=4 1755 B15R1.1876 COc1ccc(c(c1C)C)NCC(=O)N 2230a_100025755787_100000747473 [1,1,0,0,0,0|2,0,0]=4 1756 B15R1.1876 COc1ccc(c(c1C)C)NCC(=O)N 34a_100025755787_100000187820 [1,1,0,0,0,0|2,0,0]=4 1757 B15R1.1876 COc1ccc(c(c1C)C)NCC(=O)N 7a_100025755787_100000187820 [1,1,0,0,0,0|2,0,0]=4 1758 B15R1.1876 COc1ccc(c(c1C)C)NCC(=O)[O-] 34a_100025755787_100020667443 [1,1,0,0,0,0|1,0,1]=4 1759 B15R1.1876 COc1ccc(c(c1C)C)SCC(=O)N 62a_100000049725_100000747473 [1,1,0,0,0,0|2,0,0]=4 1760 B15R1.1876 COc1ccc(c(c1C)C)SCC(=O)N 62a_100000747473_100000049725 [1,1,0,0,0,0|2,0,0]=4 1761 B15R1.1876 COc1ccc(c(c1C)C)SCC(=O)[O-] 62a_100000049725_100020667443 [1,1,0,0,0,0|1,0,1]=4 1762 B15R1.1876 COc1ccc(c(c1C)C)SCC(=O)[O-] 62a_100020667443_100000049725 [1,1,0,0,0,0|1,0,1]=4 1763 B15R1.1876 COc1ccc(c(c1F)F)CCC(=O)C 1458a_100010171619_200000210301 [1,1,0,0,0,0|2,0,0]=4 1764 B15R1.1876 COc1ccc(c(c1F)F)CCC(=O)[13CH3] 1458a_100010171619_200025704644 [1,1,0,0,0,0|2,0,0]=4 1765 B15R1.3776 COc1ccc(cc1C)C(=O)CC(=O)N 1458a_100011202886_100000187820 [1,1,0,0,0,0|1,0,1]=4 1766 B15R1.3776 COc1ccc(cc1C)C(=O)CC(=O)[O-] 1458a_100011202886_100020667443 [1,1,0,0,0,0|0,0,2]=4 1767 B15R1.3776 COc1ccc(cc1C)C(C)NC(=O)C 11a_100015183133_100015343762 [1,1,0,0,0,0|2,0,0]=4 1768 B15R1.3776 COc1ccc(cc1C)C(C)NC(=O)C 1626a_100015183133_100015343762 [1,1,0,0,0,0|2,0,0]=4 1769 B15R1.3776 COc1ccc(cc1C)C(C)NC(=O)C 240690a_100015183133_100015343762 [1,1,0,0,0,0|2,0,0]=4 1770 B15R1.3776 COc1ccc(cc1C)C(C)NC(=O)C 527a_100015183133_100103153847 [1,1,0,0,0,0|2,0,0]=4 1771 B15R1.3776 COc1ccc(cc1O)C(=O)CC(=O)N 1458a_100000766810_100000187820 [1,1,0,0,0,0|1,0,1]=4 1772 B15R1.3776 COc1ccc(cc1O)C(=O)CC(=O)[O-] 1458a_100000766810_100020667443 [1,1,0,0,0,0|0,0,2]=4 1773 B15R1.3777 COc1ccc(cc1C)CN(C)C(=O)C 11a_100000241087_100015343762 [1,1,0,0,0,0|2,0,0]=4 1774 B15R1.3777 COc1ccc(cc1C)CN(C)C(=O)C 1626a_100000241087_100015343762 [1,1,0,0,0,0|2,0,0]=4 1775 B15R1.3777 COc1ccc(cc1C)CN(C)C(=O)C 240690a_100000241087_100015343762 [1,1,0,0,0,0|2,0,0]=4 1776 B15R1.3777 COc1ccc(cc1C)CN(C)C(=O)C 527a_100000241087_100103153847 [1,1,0,0,0,0|2,0,0]=4 1777 B15R1.3777 COc1ccc(cc1C)NC(C)C(=O)C 2230a_100000743268_100009814033 [1,1,0,0,0,0|2,0,0]=4 1778 B15R1.3777 COc1ccc(cc1C)NC(C)C(=O)C 7a_100000743268_100000179758 [1,1,0,0,0,0|2,0,0]=4 1779 B15R1.3777 COc1ccc(cc1C)NC(C)C(=O)N 2230a_100000743268_100000702099 [1,1,0,0,0,0|2,0,0]=4 1780 B15R1.3777 COc1ccc(cc1C)NC(C)C(=O)N 34a_100000743268_100000702099 [1,1,0,0,0,0|2,0,0]=4 1781 B15R1.3777 COc1ccc(cc1C)NC(C)C(=O)N 7a_100000743268_100000702099 [1,1,0,0,0,0|2,0,0]=4 1782 B15R1.3777 COc1ccc(cc1C)NC(F)C(=O)N 2230a_100000743268_100009813875 [1,1,0,0,0,0|2,0,0]=4 1783 B15R1.3777 COc1ccc(cc1C)NC(F)C(=O)N 34a_100000743268_100009813875 [1,1,0,0,0,0|2,0,0]=4 1784 B15R1.3777 COc1ccc(cc1C)NC(F)C(=O)N 7a_100000743268_100009813875 [1,1,0,0,0,0|2,0,0]=4 1785 B15R1.3777 COc1ccc(cc1C)NC(F)C(=O)[O-] 34a_100000743268_100020610796 [1,1,0,0,0,0|1,0,1]=4 1786 B15R1.3777 COc1ccc(cc1C)OC(C)C(=O)C 7a_100000759738_100000179758 [1,1,0,0,0,0|2,0,0]=4 1787 B15R1.3777 COc1ccc(cc1C)OC(C)C(=O)N 34a_100000759738_100000702099 [1,1,0,0,0,0|2,0,0]=4 1788 B15R1.3777 COc1ccc(cc1C)OC(C)C(=O)N 7a_100000759738_100000702099 [1,1,0,0,0,0|2,0,0]=4 1789 B15R1.3777 COc1ccc(cc1C)OC(F)C(=O)N 34a_100000759738_100009813875 [1,1,0,0,0,0|2,0,0]=4 1790 B15R1.3777 COc1ccc(cc1C)OC(F)C(=O)N 7a_100000759738_100009813875 [1,1,0,0,0,0|2,0,0]=4 1791 B15R1.3777 COc1ccc(cc1C)OC(F)C(=O)[O-] 34a_100000759738_100020610796 [1,1,0,0,0,0|1,0,1]=4 1792 B15R1.3777 COc1ccc(cc1C)SC(C)C(=O)C 62a_100009814033_100011219705 [1,1,0,0,0,0|2,0,0]=4 1793 B15R1.3777 COc1ccc(cc1C)SC(C)C(=O)C 62a_100011219705_100009814033 [1,1,0,0,0,0|2,0,0]=4 1794 B15R1.3777 COc1ccc(cc1C)SC(C)C(=O)N 62a_100000702099_100011219705 [1,1,0,0,0,0|2,0,0]=4 1795 B15R1.3777 COc1ccc(cc1C)SC(C)C(=O)N 62a_100011219705_100000702099 [1,1,0,0,0,0|2,0,0]=4 1796 B15R1.3777 COc1ccc(cc1C)SC(F)C(=O)N 62a_100009813875_100011219705 [1,1,0,0,0,0|2,0,0]=4 1797 B15R1.3777 COc1ccc(cc1C)SC(F)C(=O)N 62a_100011219705_100009813875 [1,1,0,0,0,0|2,0,0]=4 1798 B15R1.3777 COc1ccc(cc1C)SC(F)C(=O)[O-] 62a_100011219705_100020610796 [1,1,0,0,0,0|1,0,1]=4 1799 B15R1.3777 COc1ccc(cc1C)SC(F)C(=O)[O-] 62a_100020610796_100011219705 [1,1,0,0,0,0|1,0,1]=4 1800 B15R1.3777 COc1ccc(cc1O)CN(C)C(=O)C 240690a_100000188468_100015343762 [1,1,0,0,0,0|2,0,0]=4 1801 B15R1.3777 COc1ccc(cc1O)CN(C)C(=O)C 527a_100000188468_100103153847 [1,1,0,0,0,0|2,0,0]=4 1802 B15R1.3777 COc1ccc(cc1O)NC(C)C(=O)N 34a_100000211920_100000702099 [1,1,0,0,0,0|2,0,0]=4 1803 B15R1.3777 COc1ccc(cc1O)NC(F)C(=O)N 34a_100000211920_100009813875 [1,1,0,0,0,0|2,0,0]=4 1804 B15R1.3777 COc1ccc(cc1O)NC(F)C(=O)[O-] 34a_100000211920_100020610796 [1,1,0,0,0,0|1,0,1]=4 1805 B15R1.3777 COc1ccc(cc1O)SC(C)C(=O)C 62a_100009814033_100009816560 [1,1,0,0,0,0|2,0,0]=4 1806 B15R1.3777 COc1ccc(cc1O)SC(C)C(=O)N 62a_100000702099_100009816560 [1,1,0,0,0,0|2,0,0]=4 1807 B15R1.3777 COc1ccc(cc1O)SC(F)C(=O)N 62a_100009813875_100009816560 [1,1,0,0,0,0|2,0,0]=4 1808 B15R1.3777 COc1ccc(cc1O)SC(F)C(=O)[O-] 62a_100020610796_100009816560 [1,1,0,0,0,0|1,0,1]=4 1809 B15R1.3779 C=CC(=O)NCc1ccc(c(c1)C)OC 1626a_100102679029_100000185746 [1,1,0,0,0,0|2,0,0]=4 1810 B15R1.3779 C=CC(=O)NCc1ccc(c(c1)C)OC 240690a_100102679029_200121576911 [1,1,0,0,0,0|2,0,0]=4 1811 B15R1.3779 C=CC(=O)NCc1ccc(c(c1)O)OC 240690a_100000740000_200121576911 [1,1,0,0,0,0|2,0,0]=4 1812 B15R1.3779 CCC(=O)CCc1ccc(c(c1)Br)OC 1458a_100000736731_100000210202 [1,1,0,0,0,0|2,0,0]=4 1813 B15R1.3779 CCC(=O)CCc1ccc(c(c1)C)OC 1458a_100011616661_100000210202 [1,1,0,0,0,0|1,0,0]=3 1814 B15R1.3779 CCC(=O)CCc1ccc(c(c1)Cl)OC 1458a_100000735577_100000210202 [1,1,0,0,0,0|2,0,0]=4 1815 B15R1.3779 CCC(=O)CCc1ccc(c(c1)F)OC 1458a_100000234888_100000210202 [1,1,0,0,0,0|2,0,0]=4 1816 B15R1.3779 CCC(=O)CCc1ccc(c(c1)O)OC 1458a_100000746301_100000210202 [1,1,0,0,0,0|1,0,0]=3 1817 B15R1.3779 CCC(=O)CNc1ccc(c(c1)C)OC 7a_100000743268_100000747405 [1,1,0,0,0,0|2,0,0]=4 1818 B15R1.3779 CCC(=O)COc1ccc(c(c1)C)OC 7a_100000759738_100000747405 [1,1,0,0,0,0|2,0,0]=4 1819 B15R1.3779 CCC(=O)CSc1ccc(c(c1)C)OC 62a_100000747405_100011219705 [1,1,0,0,0,0|2,0,0]=4 1820 B15R1.3779 CCC(=O)CSc1ccc(c(c1)C)OC 62a_100011219705_100000747405 [1,1,0,0,0,0|2,0,0]=4 1821 B15R1.3779 CCC(=O)CSc1ccc(c(c1)O)OC 62a_100000747405_100009816560 [1,1,0,0,0,0|2,0,0]=4 1822 B15R1.3779 CCC(=O)NCc1ccc(c(c1)C)OC 11a_100102679029_100000210414 [1,1,0,0,0,0|2,0,0]=4 1823 B15R1.3779 CCC(=O)NCc1ccc(c(c1)C)OC 1626a_100102679029_100000210414 [1,1,0,0,0,0|2,0,0]=4 1824 B15R1.3779 CCC(=O)NCc1ccc(c(c1)C)OC 240690a_100102679029_100000210414 [1,1,0,0,0,0|2,0,0]=4 1825 B15R1.3779 CCC(=O)NCc1ccc(c(c1)C)OC 527a_100102679029_100000210414 [1,1,0,0,0,0|2,0,0]=4 1826 B15R1.3779 CCC(=O)NCc1ccc(c(c1)O)OC 240690a_100000740000_100000210414 [1,1,0,0,0,0|2,0,0]=4 1827 B15R1.3779 CCC(=O)NCc1ccc(c(c1)O)OC 527a_100000740000_100000210414 [1,1,0,0,0,0|2,0,0]=4 1828 B15R1.3779 CNC(=O)CCc1ccc(c(c1)Br)OC 11a_106832991635_100000736731 [1,1,0,0,0,0|2,0,0]=4 1829 B15R1.3779 CNC(=O)CCc1ccc(c(c1)Br)OC 1626a_100102657272_100000736731 [1,1,0,0,0,0|2,0,0]=4 1830 B15R1.3779 CNC(=O)CCc1ccc(c(c1)Br)OC 240690a_100102657272_100000736731 [1,1,0,0,0,0|2,0,0]=4 1831 B15R1.3779 CNC(=O)CCc1ccc(c(c1)Br)OC 527a_100102657272_100000736731 [1,1,0,0,0,0|2,0,0]=4 1832 B15R1.3779 CNC(=O)CCc1ccc(c(c1)C)OC 11a_106832991635_100011616661 [1,1,0,0,0,0|1,0,0]=3 1833 B15R1.3779 CNC(=O)CCc1ccc(c(c1)C)OC 1626a_100102657272_100011616661 [1,1,0,0,0,0|1,0,0]=3 1834 B15R1.3779 CNC(=O)CCc1ccc(c(c1)C)OC 240690a_100102657272_100011616661 [1,1,0,0,0,0|1,0,0]=3 1835 B15R1.3779 CNC(=O)CCc1ccc(c(c1)C)OC 527a_100102657272_100011616661 [1,1,0,0,0,0|1,0,0]=3 1836 B15R1.3779 CNC(=O)CCc1ccc(c(c1)Cl)OC 11a_106832991635_100000735577 [1,1,0,0,0,0|2,0,0]=4 1837 B15R1.3779 CNC(=O)CCc1ccc(c(c1)Cl)OC 1626a_100102657272_100000735577 [1,1,0,0,0,0|2,0,0]=4 1838 B15R1.3779 CNC(=O)CCc1ccc(c(c1)Cl)OC 240690a_100102657272_100000735577 [1,1,0,0,0,0|2,0,0]=4 1839 B15R1.3779 CNC(=O)CCc1ccc(c(c1)Cl)OC 527a_100102657272_100000735577 [1,1,0,0,0,0|2,0,0]=4 1840 B15R1.3779 CNC(=O)CCc1ccc(c(c1)F)OC 11a_106832991635_100000234888 [1,1,0,0,0,0|2,0,0]=4 1841 B15R1.3779 CNC(=O)CCc1ccc(c(c1)F)OC 1626a_100102657272_100000234888 [1,1,0,0,0,0|2,0,0]=4 1842 B15R1.3779 CNC(=O)CCc1ccc(c(c1)F)OC 240690a_100102657272_100000234888 [1,1,0,0,0,0|2,0,0]=4 1843 B15R1.3779 CNC(=O)CCc1ccc(c(c1)F)OC 527a_100102657272_100000234888 [1,1,0,0,0,0|2,0,0]=4 1844 B15R1.3779 CNC(=O)CCc1ccc(c(c1)O)OC 240690a_100102657272_100000746301 [1,1,0,0,0,0|1,0,0]=3 1845 B15R1.3779 CNC(=O)CNc1ccc(c(c1)C)OC 2230a_100000743268_100000183359 [1,1,0,0,0,0|2,0,0]=4 1846 B15R1.3779 CNC(=O)CNc1ccc(c(c1)C)OC 34a_100000743268_100000183359 [1,1,0,0,0,0|2,0,0]=4 1847 B15R1.3779 CNC(=O)CNc1ccc(c(c1)C)OC 7a_100000743268_100000183359 [1,1,0,0,0,0|2,0,0]=4 1848 B15R1.3779 CNC(=O)CNc1ccc(c(c1)O)OC 34a_100000211920_100000183359 [1,1,0,0,0,0|2,0,0]=4 1849 B15R1.3779 CNC(=O)COc1ccc(c(c1)C)OC 34a_100000759738_100000183359 [1,1,0,0,0,0|2,0,0]=4 1850 B15R1.3779 CNC(=O)COc1ccc(c(c1)C)OC 7a_100000759738_100000183359 [1,1,0,0,0,0|2,0,0]=4 1851 B15R1.3779 CNC(=O)CSc1ccc(c(c1)C)OC 62a_100000183359_100011219705 [1,1,0,0,0,0|2,0,0]=4 1852 B15R1.3779 CNC(=O)CSc1ccc(c(c1)C)OC 62a_100011219705_100000183359 [1,1,0,0,0,0|2,0,0]=4 1853 B15R1.3779 CNC(=O)CSc1ccc(c(c1)O)OC 62a_100000183359_100009816560 [1,1,0,0,0,0|2,0,0]=4 1854 B15R1.3779 CNC(=O)NCc1ccc(c(c1)C)OC 2708a_100102657272_100102679029 [1,1,0,0,0,0|2,0,0]=4 1855 B15R1.3779 CNC(=O)NCc1ccc(c(c1)C)OC 2708a_100102679029_106832991635 [1,1,0,0,0,0|2,0,0]=4 1856 B15R1.3779 CNC(=O)NCc1ccc(c(c1)C)OC 273464a_100102657272_100102679029 [1,1,0,0,0,0|2,0,0]=4 1857 B15R1.3779 CNC(=O)NCc1ccc(c(c1)C)OC 273464a_100102679029_100102657272 [1,1,0,0,0,0|2,0,0]=4 1858 B15R1.3779 CNC(=O)NCc1ccc(c(c1)C)OC 512a_100102679029_100102657272 [1,1,0,0,0,0|2,0,0]=4 1859 B15R1.3779 CNC(=O)NCc1ccc(c(c1)C)OC 512a_106832991638_100102679029 [1,1,0,0,0,0|2,0,0]=4 1860 B15R1.3779 CNC(=O)NCc1ccc(c(c1)O)OC 2708a_100000740000_106832991635 [1,1,0,0,0,0|2,0,0]=4 1861 B15R1.3779 CNC(=O)NCc1ccc(c(c1)O)OC 2708a_100102657272_100000740000 [1,1,0,0,0,0|2,0,0]=4 1862 B15R1.3779 CNC(=O)NCc1ccc(c(c1)O)OC 273464a_100000740000_100102657272 [1,1,0,0,0,0|2,0,0]=4 1863 B15R1.3779 CNC(=O)NCc1ccc(c(c1)O)OC 273464a_100102657272_100000740000 [1,1,0,0,0,0|2,0,0]=4 1864 B15R1.3779 CNC(=O)NCc1ccc(c(c1)O)OC 512a_100000740000_100102657272 [1,1,0,0,0,0|2,0,0]=4 1865 B15R1.3779 CNC(=O)NCc1ccc(c(c1)O)OC 512a_106832991638_100000740000 [1,1,0,0,0,0|2,0,0]=4 1866 B15R1.3779 CNc1ccc(cc1C)OCC(=O)OC 34a_100161107805_100000747449 [1,1,0,0,0,0|2,0,0]=4 1867 B15R1.3779 CNc1ccc(cc1C)OCC(=O)OC 7a_100161107805_100000747449 [1,1,0,0,0,0|2,0,0]=4 1868 B15R1.3779 CNc1ccc(cc1C)SCC(=O)OC 62a_100000221803_100000747449 [1,1,0,0,0,0|2,0,0]=4 1869 B15R1.3779 CNc1ccc(cc1C)SCC(=O)OC 62a_100000747449_100000221803 [1,1,0,0,0,0|2,0,0]=4 1870 B15R1.3779 COC(=O)CNc1ccc(c(c1)Br)OC 34a_100000187427_100000747449 [1,1,0,0,0,0|2,0,0]=4 1871 B15R1.3779 COC(=O)CNc1ccc(c(c1)C)OC 2230a_100000743268_100000747449 [1,1,0,0,0,0|1,0,0]=3 1872 B15R1.3779 COC(=O)CNc1ccc(c(c1)C)OC 34a_100000743268_100000747449 [1,1,0,0,0,0|1,0,0]=3 1873 B15R1.3779 COC(=O)CNc1ccc(c(c1)C)OC 7a_100000743268_100000747449 [1,1,0,0,0,0|1,0,0]=3 1874 B15R1.3779 COC(=O)CNc1ccc(c(c1)Cl)OC 2230a_100000211044_100000747449 [1,1,0,0,0,0|2,0,0]=4 1875 B15R1.3779 COC(=O)CNc1ccc(c(c1)Cl)OC 34a_100000211044_100000747449 [1,1,0,0,0,0|2,0,0]=4 1876 B15R1.3779 COC(=O)CNc1ccc(c(c1)F)OC 2230a_100000740183_100000747449 [1,1,0,0,0,0|2,0,0]=4 1877 B15R1.3779 COC(=O)CNc1ccc(c(c1)F)OC 34a_100000740183_100000747449 [1,1,0,0,0,0|2,0,0]=4 1878 B15R1.3779 COC(=O)CNc1ccc(c(c1)I)OC 34a_100011356947_100000747449 [1,1,0,0,0,0|2,0,0]=4 1879 B15R1.3779 COC(=O)CNc1ccc(c(c1)O)OC 34a_100000211920_100000747449 [1,1,0,0,0,0|1,0,0]=3 1880 B15R1.3779 COC(=O)COc1ccc(c(c1)Br)OC 34a_100010234764_100000747449 [1,1,0,0,0,0|2,0,0]=4 1881 B15R1.3779 COC(=O)COc1ccc(c(c1)Br)OC 7a_100010234764_100000747449 [1,1,0,0,0,0|2,0,0]=4 1882 B15R1.3779 COC(=O)COc1ccc(c(c1)C)OC 34a_100000759738_100000747449 [1,1,0,0,0,0|1,0,0]=3 1883 B15R1.3779 COC(=O)COc1ccc(c(c1)C)OC 7a_100000759738_100000747449 [1,1,0,0,0,0|1,0,0]=3 1884 B15R1.3779 COC(=O)COc1ccc(c(c1)C)SC 34a_100000030144_100000747449 [1,1,0,0,0,0|1,1,0]=4 1885 B15R1.3779 COC(=O)COc1ccc(c(c1)Cl)OC 34a_200009861682_100000747449 [1,1,0,0,0,0|2,0,0]=4 1886 B15R1.3779 COC(=O)COc1ccc(c(c1)Cl)OC 7a_200009861682_100000747449 [1,1,0,0,0,0|2,0,0]=4 1887 B15R1.3779 COC(=O)COc1ccc(c(c1)F)OC 34a_100000746305_100000747449 [1,1,0,0,0,0|2,0,0]=4 1888 B15R1.3779 COC(=O)COc1ccc(c(c1)F)OC 7a_100000746305_100000747449 [1,1,0,0,0,0|2,0,0]=4 1889 B15R1.3779 COC(=O)COc1ccc(c(c1)I)OC 34a_100010084122_100000747449 [1,1,0,0,0,0|2,0,0]=4 1890 B15R1.3779 COC(=O)COc1ccc(c(c1)I)OC 7a_100010084122_100000747449 [1,1,0,0,0,0|2,0,0]=4 1891 B15R1.3779 COC(=O)CSc1cc(c(cn1)OC)O 62a_100000747449_100010264082 [1,1,0,0,0,0|2,0,0]=4 1892 B15R1.3779 COC(=O)CSc1ccc(c(c1)Br)OC 62a_100000747449_100011249507 [1,1,0,0,0,0|2,0,0]=4 1893 B15R1.3779 COC(=O)CSc1ccc(c(c1)Br)OC 62a_100011249507_100000747449 [1,1,0,0,0,0|2,0,0]=4 1894 B15R1.3779 COC(=O)CSc1ccc(c(c1)C)OC 62a_100000747449_100011219705 [1,1,0,0,0,0|1,0,0]=3 1895 B15R1.3779 COC(=O)CSc1ccc(c(c1)C)OC 62a_100011219705_100000747449 [1,1,0,0,0,0|1,0,0]=3 1896 B15R1.3779 COC(=O)CSc1ccc(c(c1)Cl)OC 62a_100000747449_100012355395 [1,1,0,0,0,0|2,0,0]=4 1897 B15R1.3779 COC(=O)CSc1ccc(c(c1)Cl)OC 62a_100012355395_100000747449 [1,1,0,0,0,0|2,0,0]=4 1898 B15R1.3779 COC(=O)CSc1ccc(c(c1)F)OC 62a_100000171752_100000747449 [1,1,0,0,0,0|2,0,0]=4 1899 B15R1.3779 COC(=O)CSc1ccc(c(c1)F)OC 62a_100000747449_100000171752 [1,1,0,0,0,0|2,0,0]=4 1900 B15R1.3779 COC(=O)CSc1ccc(c(c1)N)OC 62a_100000747449_100011249504 [1,1,0,0,0,0|2,0,0]=4 1901 B15R1.3779 COC(=O)CSc1ccc(c(c1)N)OC 62a_100011249504_100000747449 [1,1,0,0,0,0|2,0,0]=4 1902 B15R1.3779 COC(=O)CSc1ccc(c(c1)O)OC 62a_100000747449_100009816560 [1,1,0,0,0,0|1,0,0]=3 1903 B15R1.3779 COC(=O)CSc1ccc(c(n1)C)OC 62a_100000747449_100010244750 [1,1,0,0,0,0|2,0,0]=4 1904 B15R1.3779 COC(=O)CSc1ccc(c(n1)C)OC 62a_100010244750_100000747449 [1,1,0,0,0,0|2,0,0]=4 1905 B15R1.3779 COC(=O)CSc1cnc(c(c1)C)OC 62a_100000747449_100011290809 [1,1,0,0,0,0|2,0,0]=4 1906 B15R1.3779 COC(=O)CSc1cnc(c(c1)C)OC 62a_100011290809_100000747449 [1,1,0,0,0,0|2,0,0]=4 1907 B15R1.3779 COC(=O)CSc1cnc(c(c1)O)OC 62a_100000747449_100010135713 [1,1,0,0,0,0|2,0,0]=4 1908 B15R1.3779 COc1ccc(cc1Br)CCC(=O)CF 1458a_100000736731_100015361967 [1,1,0,0,0,0|2,0,0]=4 1909 B15R1.3779 COc1ccc(cc1Br)CNC(=O)CO 240690a_100159240714_100000210174 [1,1,0,0,0,0|2,0,0]=4 1910 B15R1.3779 COc1ccc(cc1Br)CNC(=O)CO 527a_100159240714_100000210174 [1,1,0,0,0,0|2,0,0]=4 1911 B15R1.3779 COc1ccc(cc1C)CCC(=O)CF 1458a_100011616661_100015361967 [1,1,0,0,0,0|1,0,0]=3 1912 B15R1.3779 COc1ccc(cc1C)CNC(=O)CO 240690a_100102679029_100000210174 [1,1,0,0,0,0|1,0,0]=3 1913 B15R1.3779 COc1ccc(cc1C)CNC(=O)CO 527a_100102679029_100000210174 [1,1,0,0,0,0|1,0,0]=3 1914 B15R1.3779 COc1ccc(cc1Cl)CCC(=O)CF 1458a_100000735577_100015361967 [1,1,0,0,0,0|2,0,0]=4 1915 B15R1.3779 COc1ccc(cc1Cl)CNC(=O)CO 240690a_100000008799_100000210174 [1,1,0,0,0,0|2,0,0]=4 1916 B15R1.3779 COc1ccc(cc1Cl)CNC(=O)CO 527a_100000008799_100000210174 [1,1,0,0,0,0|2,0,0]=4 1917 B15R1.3779 COc1ccc(cc1F)CCC(=O)CF 1458a_100000234888_100015361967 [1,1,0,0,0,0|2,0,0]=4 1918 B15R1.3779 COc1ccc(cc1F)CNC(=O)CO 240690a_100000737316_100000210174 [1,1,0,0,0,0|2,0,0]=4 1919 B15R1.3779 COc1ccc(cc1F)CNC(=O)CO 527a_100000737316_100000210174 [1,1,0,0,0,0|2,0,0]=4 1920 B15R1.3779 COc1ccc(cc1O)CCC(=O)CF 1458a_100000746301_100015361967 [1,1,0,0,0,0|1,0,0]=3 1921 B15R1.3779 COc1ccc(cc1O)CNC(=O)CO 240690a_100000740000_100000210174 [1,1,0,0,0,0|1,0,0]=3 1922 B15R1.3779 COc1ccc(cc1O)CNC(=O)CO 527a_100000740000_100000210174 [1,1,0,0,0,0|1,0,0]=3 1923 B15R1.9550 CCOc1ccc(cc1C)SCC(=O)N 62a_100000747473_100011308936 [1,1,0,0,0,0|2,0,0]=4 1924 B15R1.9550 CCOc1ccc(cc1C)SCC(=O)N 62a_100011308936_100000747473 [1,1,0,0,0,0|2,0,0]=4 1925 B15R1.9550 CCOc1ccc(cc1C)SCC(=O)[O-] 62a_100011308936_100020667443 [1,1,0,0,0,0|1,0,1]=4 1926 B15R1.9550 CCOc1ccc(cc1C)SCC(=O)[O-] 62a_100020667443_100011308936 [1,1,0,0,0,0|1,0,1]=4 1927 B15R1.21573 COc1c(cc(cc1Br)NCC(=O)N)C 34a_100010071304_100000187820 [1,1,0,0,0,0|2,0,0]=4 1928 B15R1.21573 COc1c(cc(cc1Br)NCC(=O)N)C 7a_100010071304_100000187820 [1,1,0,0,0,0|2,0,0]=4 1929 B15R1.21573 COc1c(cc(cc1Br)NCC(=O)[O-])C 34a_100010071304_100020667443 [1,1,0,0,0,0|1,0,1]=4 1930 B15R1.21573 COc1c(cc(cc1Br)SCC(=O)N)C 62a_100000747473_100010997178 [1,1,0,0,0,0|2,0,0]=4 1931 B15R1.21573 COc1c(cc(cc1Br)SCC(=O)N)C 62a_100010997178_100000747473 [1,1,0,0,0,0|2,0,0]=4 1932 B15R1.21573 COc1c(cc(cc1Br)SCC(=O)[O-])C 62a_100010997178_100020667443 [1,1,0,0,0,0|1,0,1]=4 1933 B15R1.21573 COc1c(cc(cc1Br)SCC(=O)[O-])C 62a_100020667443_100010997178 [1,1,0,0,0,0|1,0,1]=4 1934 B15R1.21573 COc1c(cc(cc1C)NCC(=O)N)C 2230a_100000187574_100000747473 [1,1,0,0,0,0|2,0,0]=4 1935 B15R1.21573 COc1c(cc(cc1C)NCC(=O)N)C 34a_100000187574_100000187820 [1,1,0,0,0,0|2,0,0]=4 1936 B15R1.21573 COc1c(cc(cc1C)NCC(=O)N)C 7a_100000187574_100000187820 [1,1,0,0,0,0|2,0,0]=4 1937 B15R1.21573 COc1c(cc(cc1C)NCC(=O)[O-])C 34a_100000187574_100020667443 [1,1,0,0,0,0|1,0,1]=4 1938 B15R1.21573 COc1c(cc(cc1C)OCC(=O)N)C 34a_100009845414_100000187820 [1,1,0,0,0,0|2,0,0]=4 1939 B15R1.21573 COc1c(cc(cc1C)OCC(=O)N)C 7a_100009845414_100000187820 [1,1,0,0,0,0|2,0,0]=4 1940 B15R1.21573 COc1c(cc(cc1C)OCC(=O)[O-])C 34a_100009845414_100020667443 [1,1,0,0,0,0|1,0,1]=4 1941 B15R1.21573 COc1c(cc(cc1C)SCC(=O)N)C 62a_100000211903_100000747473 [1,1,0,0,0,0|2,0,0]=4 1942 B15R1.21573 COc1c(cc(cc1C)SCC(=O)N)C 62a_100000747473_100000211903 [1,1,0,0,0,0|2,0,0]=4 1943 B15R1.21573 COc1c(cc(cc1C)SCC(=O)[O-])C 62a_100000211903_100020667443 [1,1,0,0,0,0|1,0,1]=4 1944 B15R1.21573 COc1c(cc(cc1C)SCC(=O)[O-])C 62a_100020667443_100000211903 [1,1,0,0,0,0|1,0,1]=4 1945 B15R1.369 COc1cc(cc(c1OC)Cl)CC(=O)C 34a_200010006941_200000210301 [0,1,0,0,1,0|1,0,0]=3 1946 B15R1.369 COc1cc(cc(c1OC)Cl)CC(=O)C 7a_200010006941_200000210301 [0,1,0,0,1,0|1,0,0]=3 1947 B15R1.369 COc1cc(cc(c1O[13CH3])Cl)CC(=O)C 34a_200010006941_200025704644 [0,1,0,0,1,0|1,0,0]=3 1948 B15R1.369 COc1cc(cc(c1O[13CH3])Cl)CC(=O)C 7a_200010006941_200025704644 [0,1,0,0,1,0|1,0,0]=3 1949 B15R1.529 CC=Cc1cc(ccc1OC)CC(=O)C 271570a_100016259895_100011493462 [0,1,0,0,1,0|2,0,0]=4 1950 B15R1.529 CCOc1cc(ccc1OC)CC(=O)C 34a_200000075426_200000210301 [0,1,0,0,1,0|1,0,0]=3 1951 B15R1.529 CCOc1cc(ccc1OC)CC(=O)C 7a_200000075426_200000210301 [0,1,0,0,1,0|1,0,0]=3 1952 B15R1.529 CCOc1cc(ccc1O[13CH3])CC(=O)C 34a_200000075426_200025704644 [0,1,0,0,1,0|1,0,0]=3 1953 B15R1.529 CCOc1cc(ccc1O[13CH3])CC(=O)C 7a_200000075426_200025704644 [0,1,0,0,1,0|1,0,0]=3 1954 B15R1.529 CCSc1cc(ccc1OC)CC(=O)C 62a_100000210202_100011493462 [0,1,0,0,1,0|1,1,0]=4 1955 B15R1.529 CCSc1cc(ccc1OC)CC(=O)C 62a_100011493462_100000210202 [0,1,0,0,1,0|1,1,0]=4 1956 B15R1.529 COc1ccc(cc1SCF)CC(=O)C 62a_100011493462_100015361967 [0,1,0,0,1,0|1,1,0]=4 1957 B15R1.529 COc1ccc(cc1SCF)CC(=O)C 62a_100015361967_100011493462 [0,1,0,0,1,0|1,1,0]=4 1958 B15R1.1799 COc1cc(c(cc1OC)CC(=O)C)Br 1458a_100000070787_100011375086 [0,1,0,0,1,0|1,0,0]=3 1959 B15R1.1799 COc1cc(c(cc1OC)CC(=O)C)Br 1458a_100000204571_200000210301 [0,1,0,0,1,0|1,0,0]=3 1960 B15R1.1799 COc1cc(c(cc1OC)CC(=O)C)I 1458a_200010005243_200000210301 [0,1,0,0,1,0|1,0,0]=3 1961 B15R1.1799 COc1cc(c(cc1OC)CC(=O)C)O 271570a_203496583355_200009994825 [0,1,0,0,1,0|1,0,0]=3 1962 B15R1.1799 COc1cc(c(cc1OC)CC(=O)[13CH3])Br 1458a_100000204571_200025704644 [0,1,0,0,1,0|1,0,0]=3 1963 B15R1.1799 COc1cc(c(cc1OC)CC(=O)[13CH3])I 1458a_200010005243_200025704644 [0,1,0,0,1,0|1,0,0]=3 1964 B15R1.1799 COc1cc(c(cc1OC)NC(=O)C)C 11a_100000183460_100015343762 [0,1,0,0,1,0|2,0,0]=4 1965 B15R1.1799 COc1cc(c(cc1OC)NC(=O)C)C 1626a_100000183460_100015343762 [0,1,0,0,1,0|2,0,0]=4 1966 B15R1.1799 COc1cc(c(cc1OC)NC(=O)C)C 22a_100000183460_100000070787 [0,1,0,0,1,0|2,0,0]=4 1967 B15R1.1799 COc1cc(c(cc1OC)NC(=O)C)C 527a_100000183460_100103153847 [0,1,0,0,1,0|2,0,0]=4 1968 B15R1.1799 COc1cc(c(cc1OC)NC(=O)C)F 11a_100000753170_100015343762 [0,1,0,0,1,0|2,0,0]=4 1969 B15R1.1799 COc1cc(c(cc1OC)NC(=O)C)F 1626a_100000753170_100015343762 [0,1,0,0,1,0|2,0,0]=4 1970 B15R1.1799 COc1cc(c(cc1OC)NC(=O)C)F 22a_100000753170_100000070787 [0,1,0,0,1,0|2,0,0]=4 1971 B15R1.1799 COc1cc(c(cc1OC)NC(=O)C)F 527a_100000753170_100103153847 [0,1,0,0,1,0|2,0,0]=4 1972 B15R1.9548 CCOc1ccc(cc1OC)CC(=O)C 1458a_100000061229_200000210301 [0,1,0,0,1,0|1,0,0]=3 1973 B15R1.9548 CCOc1ccc(cc1OC)CC(=O)C 34a_200000039568_100000210202 [0,1,0,0,1,0|1,0,0]=3 1974 B15R1.9548 CCOc1ccc(cc1OC)CC(=O)[13CH3] 1458a_100000061229_200025704644 [0,1,0,0,1,0|1,0,0]=3 1975 B15R1.9548 CCOc1ccc(cc1OC)NC(=O)C 11a_100000184985_100015343762 [0,1,0,0,1,0|2,0,0]=4 1976 B15R1.9548 CCOc1ccc(cc1OC)NC(=O)C 1626a_100000184985_100015343762 [0,1,0,0,1,0|2,0,0]=4 1977 B15R1.9548 CCOc1ccc(cc1OC)NC(=O)C 22a_100000184985_100000070787 [0,1,0,0,1,0|2,0,0]=4 1978 B15R1.9548 CCOc1ccc(cc1OC)NC(=O)C 527a_100000184985_100103153847 [0,1,0,0,1,0|2,0,0]=4 1979 B15R1.9548 COc1cc(ccc1OCF)CC(=O)C 34a_200000039568_100015361967 [0,1,0,0,1,0|1,0,0]=3 1980 B15R1.12856 C=C(C)c1cc(ccc1OC)CC(=O)C 271570a_100000694244_100011493462 [0,1,0,0,1,0|2,0,0]=4 1981 B15R1.13088 COc1ccc(c(c1OC)Cl)CC(=O)C 1458a_100000070787_100011890039 [0,1,0,0,1,0|1,0,0]=3 1982 B15R1.13088 COc1ccc(c(c1OC)Cl)CC(=O)C 1458a_100012648522_200000210301 [0,1,0,0,1,0|1,0,0]=3 1983 B15R1.13088 COc1ccc(c(c1OC)Cl)CC(=O)[13CH3] 1458a_100012648522_200025704644 [0,1,0,0,1,0|1,0,0]=3 1984 B15R1.13088 COc1ccc(c(c1OC)F)CC(=O)C 1458a_200010293705_200000210301 [0,1,0,0,1,0|1,0,0]=3 1985 B15R1.13088 COc1ccc(c(c1OC)F)CC(=O)[13CH3] 1458a_200010293705_200025704644 [0,1,0,0,1,0|1,0,0]=3 1986 B17R1.4636 COc1ccc(cc1OC)CCNS(=O)(=O)C 40a_100000210947_100000738038 [0,1,0,0,0,1|1,0,1]=4 1987 B17R1.4636 COc1ccc(cc1OC)CNCC(C)(C)O 207a_100000751335_100000170513 [0,1,0,0,0,1|1,0,1]=4 1988 B17R1.4636 COc1ccc(cc1OC)CNCC(C)(C)O 2230a_100000751335_100011233839 [0,1,0,0,0,1|1,0,1]=4 1989 B17R1.4636 COc1ccc(cc1OC)CNCC(C)(C)O 270004a_100000751335_100000170513 [0,1,0,0,0,1|1,0,1]=4 1990 B17R1.4636 COc1ccc(cc1OC)CNCC(C)(C)O 34a_100000185555_100000764493 [0,1,0,0,0,1|1,0,1]=4 1991 B17R1.4636 COc1ccc(cc1OC)CNCS(=O)(=O)[O-] 34a_100000185555_100009817235 [0,1,0,0,0,1|1,0,1]=4 1992 B17R1.4636 COc1ccc(cc1OC)COCC(C)(C)O 34a_100000210929_100000764493 [0,1,0,0,0,1|1,0,1]=4 1993 B17R1.4636 COc1ccc(cc1OC)COCS(=O)(=O)[O-] 34a_100000210929_100009817235 [0,1,0,0,0,1|1,0,1]=4 1994 B17R1.4636 COc1ccc(cc1OC)CSCC(C)(C)O 62a_100000764493_100011233839 [0,1,0,0,0,1|1,0,1]=4 1995 B17R1.4636 COc1ccc(cc1OC)CSCS(=O)(=O)N 62a_100000741382_100011233839 [0,1,0,0,0,1|1,0,1]=4 1996 B17R1.4636 COc1ccc(cc1OC)CSCS(=O)(=O)[O-] 62a_100009817235_100011233839 [0,1,0,0,0,1|1,0,1]=4 1997 B17R1.4636 COc1ccc(cc1OC)NCCC(C)(C)O 34a_100000187404_100000702414 [0,1,0,0,0,1|1,0,1]=4 1998 B17R1.4636 COc1ccc(cc1OC)NCCS(=O)(=O)C 34a_100000187404_100000731031 [0,1,0,0,0,1|1,0,1]=4 1999 B17R1.4636 COc1ccc(cc1OC)NCCS(=O)(=O)[O-] 34a_100000187404_100000762736 [0,1,0,0,0,1|1,0,1]=4 2000 B17R1.4636 COc1ccc(cc1OC)OCCC(C)(C)O 34a_100000039706_100000702414 [0,1,0,0,0,1|1,0,1]=4 2001 B17R1.4636 COc1ccc(cc1OC)OCCS(=O)(=O)C 34a_100000039706_100000731031 [0,1,0,0,0,1|1,0,1]=4 2002 B17R1.4636 COc1ccc(cc1OC)OCCS(=O)(=O)[O-] 34a_100000039706_100000762736 [0,1,0,0,0,1|1,0,1]=4 2003 B17R1.4636 COc1ccc(cc1OC)SCCC(C)(C)O 62a_100000702414_100011356967 [0,1,0,0,0,1|1,0,1]=4 2004 B17R1.4636 COc1ccc(cc1OC)SCCS(=O)(=O)C 62a_100000731031_100011356967 [0,1,0,0,0,1|1,0,1]=4 2005 B17R1.4636 COc1ccc(cc1OC)SCCS(=O)(=O)[O-] 62a_100000762736_100011356967 [0,1,0,0,0,1|1,0,1]=4 2006 B17R1.4640 C=C(C)CCC(=O)c1ccc(c(c1)OC)OC 1458a_100000211223_100000730704 [0,1,0,0,0,1|2,0,0]=4 2007 B17R1.4640 C=C(C)CN[C@H](C)c1ccc(c(c1)OC)OC 2230a_100025717294_100000748629 [0,1,0,0,0,1|2,0,0]=4 2008 B17R1.4640 C=C(C)COC(C)c1ccc(c(c1)OC)OC 34a_100000246476_100000748629 [0,1,0,0,0,1|2,0,0]=4 2009 B17R1.4640 C=C(C)COC(C)c1ccc(c(c1)OC)OC 7a_100000246476_100000748629 [0,1,0,0,0,1|2,0,0]=4 2010 B17R1.4640 C=C(F)CN[C@H](C)c1ccc(c(c1)OC)OC 2230a_100025717294_100009893438 [0,1,0,0,0,1|2,0,0]=4 2011 B17R1.4640 C=C(F)COC(C)c1ccc(c(c1)OC)OC 34a_100000246476_100009893438 [0,1,0,0,0,1|2,0,0]=4 2012 B17R1.4640 C=C(F)COC(C)c1ccc(c(c1)OC)OC 7a_100000246476_100000042424 [0,1,0,0,0,1|2,0,0]=4 2013 B17R1.4640 COc1ccc(cc1OC)C(=O)CCC(=O)C 1458a_100000070787_100012339670 [0,1,0,0,0,1|1,0,0]=3 2014 B17R1.4640 COc1ccc(cc1OC)C(=O)CCC(C)O 1458a_100000211223_100012276601 [0,1,0,0,0,1|1,0,1]=4 2015 B17R1.4640 COc1ccc(cc1OC)C(=O)NCC(=O)C 1458a_100000260836_200000210301 [0,1,0,0,0,1|1,0,1]=4 2016 B17R1.4640 COc1ccc(cc1OC)C(=O)NCC(=O)N 11a_100000711301_100000211223 [0,1,0,0,0,1|1,0,1]=4 2017 B17R1.4640 COc1ccc(cc1OC)C(=O)NCC(=O)N 240690a_100000711301_100000211223 [0,1,0,0,0,1|1,0,1]=4 2018 B17R1.4640 COc1ccc(cc1OC)C(=O)NCC(=O)N 527a_100000711301_100000211223 [0,1,0,0,0,1|1,0,1]=4 2019 B17R1.4640 COc1ccc(cc1OC)C(=O)NCC(=O)[13CH3] 1458a_100000260836_200025704644 [0,1,0,0,0,1|1,0,1]=4 2020 B17R1.4640 COc1ccc(cc1OC)C(C)NCC(C)O 269862a_100000210904_100000171757 [0,1,0,0,0,1|1,0,1]=4 2021 B17R1.4640 COc1ccc(cc1OC)C(C)OCC(=O)N 34a_100000246476_100000187820 [0,1,0,0,0,1|1,0,0]=3 2022 B17R1.4640 COc1ccc(cc1OC)C(C)OCC(=O)N 7a_100000246476_100000187820 [0,1,0,0,0,1|1,0,0]=3 2023 B17R1.4640 COc1ccc(cc1OC)C(C)OCC(=O)[O-] 34a_100000246476_100020667443 [0,1,0,0,0,1|0,0,1]=3 2024 B17R1.4640 COc1ccc(cc1OC)C(C)OCC(C)O 34a_100000246476_100011218427 [0,1,0,0,0,1|1,0,1]=4 2025 B17R1.4640 COc1ccc(cc1OC)C(C)OCC(C)O 7a_100000246476_100011218427 [0,1,0,0,0,1|1,0,1]=4 2026 B17R1.4640 COc1ccc(cc1OC)C(C)OC[C@@H](C)O 34a_100000246476_100009817552 [0,1,0,0,0,1|1,0,1]=4 2027 B17R1.4640 COc1ccc(cc1OC)C(C)OC[C@@H](C)O 7a_100000246476_100009817552 [0,1,0,0,0,1|1,0,1]=4 2028 B17R1.4640 COc1ccc(cc1OC)C(C)OC[N+](=O)[O-] 34a_100000246476_100000761209 [0,1,0,0,0,1|1,0,1]=4 2029 B17R1.4640 COc1ccc(cc1OC)[C@@H](C)NCC(=O)N 2230a_100025717294_100000747473 [0,1,0,0,0,1|1,0,0]=3 2030 B17R1.4640 COc1ccc(cc1OC)[C@@H](C)NCC(C)O 2230a_100025717294_100011218427 [0,1,0,0,0,1|1,0,1]=4 2031 B17R1.4640 COc1ccc(cc1OC)[C@@H](C)NC[C@@H](C)O 2230a_100025717294_100009817552 [0,1,0,0,0,1|1,0,1]=4 2032 B17R1.4699 COc1ccc(cc1C(=O)C)OCCC(=O)C 7a_100000081070_100000053229 [0,1,0,0,0,1|2,0,0]=4 2033 B17R1.4699 COc1ccc(cc1C(=O)C)OCCC(=O)N 34a_100000081070_100000731001 [0,1,0,0,0,1|2,0,0]=4 2034 B17R1.4699 COc1ccc(cc1C(=O)C)OCCC(=O)N 7a_100000081070_100000744528 [0,1,0,0,0,1|2,0,0]=4 2035 B17R1.4699 COc1ccc(cc1C(=O)C)SCCC(=O)C 62a_100000173343_100000053229 [0,1,0,0,0,1|2,0,0]=4 2036 B17R1.4699 COc1ccc(cc1C(=O)C)SCCC(=O)N 62a_100000173343_100000744528 [0,1,0,0,0,1|2,0,0]=4 2037 B17R1.4699 COc1ccc(cc1C(C)C)NCCC(=O)N 2230a_100025764739_100000744528 [0,1,0,0,0,1|2,0,0]=4 2038 B17R1.4699 COc1ccc(cc1C(C)C)NCCC(=O)N 34a_100025764739_100000731001 [0,1,0,0,0,1|2,0,0]=4 2039 B17R1.4699 COc1ccc(cc1[N+](=O)[O-])CNCC(=O)O 269956a_100016091260_100000737651 [0,1,0,0,0,1|2,0,0]=4 2040 B17R1.5365 COc1cc(ccc1C(=O)C)OCCC(=O)C 7a_100000116857_100000053229 [0,1,0,0,0,1|2,0,0]=4 2041 B17R1.5365 COc1cc(ccc1C(=O)C)OCCC(=O)N 34a_100000116857_100000731001 [0,1,0,0,0,1|2,0,0]=4 2042 B17R1.5365 COc1cc(ccc1C(=O)C)OCCC(=O)N 7a_100000116857_100000744528 [0,1,0,0,0,1|2,0,0]=4 2043 B17R1.5365 COc1cc(ccc1C(=O)C)SCCC(=O)C 62a_100000709911_100000053229 [0,1,0,0,0,1|2,0,0]=4 2044 B17R1.5365 COc1cc(ccc1C(=O)C)SCCC(=O)N 62a_100000709911_100000744528 [0,1,0,0,0,1|2,0,0]=4 2045 B17R1.8587 C=C(C)CCNc1ccc(c(c1)OC)OCC 2230a_100000184985_100000730704 [0,1,0,0,0,1|2,0,0]=4 2046 B17R1.8587 C=C(C)CCNc1ccc(c(c1)OC)OCC 34a_100000184985_100000730704 [0,1,0,0,0,1|2,0,0]=4 2047 B17R1.8587 C=C(C)CNCc1ccc(c(c1)OC)OCC 2230a_200000739100_100000748629 [0,1,0,0,0,1|2,0,0]=4 2048 B17R1.8587 C=C(C)CNCc1ccc(c(c1)OC)OCC 34a_200000739100_100000748629 [0,1,0,0,0,1|2,0,0]=4 2049 B17R1.8587 C=C(C)COCc1ccc(c(c1)OC)OCC 34a_100000184821_100000748629 [0,1,0,0,0,1|2,0,0]=4 2050 B17R1.8587 C=C(F)CNCc1ccc(c(c1)OC)OCC 2230a_200000739100_100009893438 [0,1,0,0,0,1|2,0,0]=4 2051 B17R1.8587 C=C(F)CNCc1ccc(c(c1)OC)OCC 34a_200000739100_100009893438 [0,1,0,0,0,1|2,0,0]=4 2052 B17R1.8587 C=C(F)COCc1ccc(c(c1)OC)OCC 34a_100000184821_100009893438 [0,1,0,0,0,1|2,0,0]=4 2053 B17R1.8587 CCOc1ccc(cc1CC)SCCC(=O)C 62a_100000053229_200010070707 [0,1,0,0,0,1|2,0,0]=4 2054 B17R1.8587 CCOc1ccc(cc1CC)SCCC(=O)C 62a_200010070707_100000053229 [0,1,0,0,0,1|2,0,0]=4 2055 B17R1.8587 CCOc1ccc(cc1CC)SCCC(=O)N 62a_100000744528_200010070707 [0,1,0,0,0,1|2,0,0]=4 2056 B17R1.8587 CCOc1ccc(cc1CC)SCCC(=O)N 62a_200010070707_100000744528 [0,1,0,0,0,1|2,0,0]=4 2057 B17R1.8587 CCOc1ccc(cc1OC)CCNC(=O)C 11a_100011371731_100015343762 [0,1,0,0,0,1|1,0,0]=3 2058 B17R1.8587 CCOc1ccc(cc1OC)CCNC(=O)C 1626a_100011371731_100015343762 [0,1,0,0,0,1|1,0,0]=3 2059 B17R1.8587 CCOc1ccc(cc1OC)CCNC(=O)C 240690a_100011371731_100015343762 [0,1,0,0,0,1|1,0,0]=3 2060 B17R1.8587 CCOc1ccc(cc1OC)CCNC(=O)C 527a_100011371731_100103153847 [0,1,0,0,0,1|1,0,0]=3 2061 B17R1.8587 CCOc1ccc(cc1OC)CNCC(=O)N 2230a_200000739100_100000747473 [0,1,0,0,0,1|1,0,0]=3 2062 B17R1.8587 CCOc1ccc(cc1OC)CNCC(=O)N 34a_200000739100_100000187820 [0,1,0,0,0,1|1,0,0]=3 2063 B17R1.8587 CCOc1ccc(cc1OC)CNCC(=O)[O-] 34a_200000739100_100020667443 [0,1,0,0,0,1|0,0,1]=3 2064 B17R1.8587 CCOc1ccc(cc1OC)CNCC(C)O 207a_100000210904_100000169853 [0,1,0,0,0,1|1,0,1]=4 2065 B17R1.8587 CCOc1ccc(cc1OC)CNCC(C)O 2230a_200000739100_100011218427 [0,1,0,0,0,1|1,0,1]=4 2066 B17R1.8587 CCOc1ccc(cc1OC)CNCC(C)O 270004a_100000210904_100000169853 [0,1,0,0,0,1|1,0,1]=4 2067 B17R1.8587 CCOc1ccc(cc1OC)CNCC(C)O 34a_200000739100_100011218427 [0,1,0,0,0,1|1,0,1]=4 2068 B17R1.8587 CCOc1ccc(cc1OC)CNC[C@@H](C)O 2230a_200000739100_100009817552 [0,1,0,0,0,1|1,0,1]=4 2069 B17R1.8587 CCOc1ccc(cc1OC)CNC[C@@H](C)O 34a_200000739100_100009817552 [0,1,0,0,0,1|1,0,1]=4 2070 B17R1.8587 CCOc1ccc(cc1OC)CNC[N+](=O)[O-] 34a_200000739100_100000761209 [0,1,0,0,0,1|1,0,1]=4 2071 B17R1.8587 CCOc1ccc(cc1OC)COCC(=O)N 34a_100000184821_100000187820 [0,1,0,0,0,1|1,0,0]=3 2072 B17R1.8587 CCOc1ccc(cc1OC)COCC(=O)[O-] 34a_100000184821_100020667443 [0,1,0,0,0,1|0,0,1]=3 2073 B17R1.8587 CCOc1ccc(cc1OC)COCC(C)O 34a_100000184821_100011218427 [0,1,0,0,0,1|1,0,1]=4 2074 B17R1.8587 CCOc1ccc(cc1OC)COC[C@@H](C)O 34a_100000184821_100009817552 [0,1,0,0,0,1|1,0,1]=4 2075 B17R1.8587 CCOc1ccc(cc1OC)COC[N+](=O)[O-] 34a_100000184821_100000761209 [0,1,0,0,0,1|1,0,1]=4 2076 B17R1.8587 CCOc1ccc(cc1OC)NCCC(=O)N 2230a_100000184985_100000744528 [0,1,0,0,0,1|1,0,0]=3 2077 B17R1.8587 CCOc1ccc(cc1OC)NCCC(=O)N 34a_100000184985_100000731001 [0,1,0,0,0,1|1,0,0]=3 2078 B17R1.8587 CCOc1ccc(cc1OC)NCCC(C)O 2230a_100000184985_100012276601 [0,1,0,0,0,1|1,0,1]=4 2079 B17R1.8587 CCOc1ccc(cc1OC)NCCC(C)O 34a_100000184985_100012276601 [0,1,0,0,0,1|1,0,1]=4 2080 B17R1.8587 CCOc1ccc(cc1OC)NCOC(=O)C 34a_100000184985_100009813279 [0,1,0,0,0,1|2,0,0]=4 2081 B17R1.8587 CCOc1ncc(cc1OC)SCCC(=O)C 62a_100000053229_200010116856 [0,1,0,0,0,1|2,0,0]=4 2082 B17R1.8587 CCOc1ncc(cc1OC)SCCC(=O)N 62a_100000744528_200010116856 [0,1,0,0,0,1|2,0,0]=4 2083 B17R1.14877 C=C(C)CNCc1cc(c(c(c1)OC)OC)Br 34a_100000748475_100000748629 [0,1,0,0,0,1|2,0,0]=4 2084 B17R1.14877 C=C(C)COCc1cc(c(c(c1)OC)OC)Br 34a_200000215730_100000748629 [0,1,0,0,0,1|2,0,0]=4 2085 B17R1.14877 C=C(F)CNCc1cc(c(c(c1)OC)OC)Br 34a_100000748475_100009893438 [0,1,0,0,0,1|2,0,0]=4 2086 B17R1.14877 C=C(F)COCc1cc(c(c(c1)OC)OC)Br 34a_200000215730_100009893438 [0,1,0,0,0,1|2,0,0]=4 2087 B17R1.14877 COc1cc(cc(c1OC)Br)CNCC(=O)N 34a_100000748475_100000187820 [0,1,0,0,0,1|1,0,0]=3 2088 B17R1.14877 COc1cc(cc(c1OC)Br)CNCC(=O)[O-] 34a_100000748475_100020667443 [0,1,0,0,0,1|0,0,1]=3 2089 B17R1.14877 COc1cc(cc(c1OC)Br)CNCC(C)O 207a_100000210904_100000183470 [0,1,0,0,0,1|1,0,1]=4 2090 B17R1.14877 COc1cc(cc(c1OC)Br)CNCC(C)O 270004a_100000210904_100000183470 [0,1,0,0,0,1|1,0,1]=4 2091 B17R1.14877 COc1cc(cc(c1OC)Br)CNCC(C)O 34a_100000748475_100011218427 [0,1,0,0,0,1|1,0,1]=4 2092 B17R1.14877 COc1cc(cc(c1OC)Br)CNC[C@@H](C)O 34a_100000748475_100009817552 [0,1,0,0,0,1|1,0,1]=4 2093 B17R1.14877 COc1cc(cc(c1OC)Br)CNC[N+](=O)[O-] 34a_100000748475_100000761209 [0,1,0,0,0,1|1,0,1]=4 2094 B17R1.14877 COc1cc(cc(c1OC)Br)COCC(=O)N 34a_200000215730_100000187820 [0,1,0,0,0,1|1,0,0]=3 2095 B17R1.14877 COc1cc(cc(c1OC)Br)COCC(=O)[O-] 34a_200000215730_100020667443 [0,1,0,0,0,1|0,0,1]=3 2096 B17R1.14877 COc1cc(cc(c1OC)Br)COCC(C)O 34a_200000215730_100011218427 [0,1,0,0,0,1|1,0,1]=4 2097 B17R1.14877 COc1cc(cc(c1OC)Br)COC[C@@H](C)O 34a_200000215730_100009817552 [0,1,0,0,0,1|1,0,1]=4 2098 B17R1.14877 COc1cc(cc(c1OC)Br)COC[N+](=O)[O-] 34a_200000215730_100000761209 [0,1,0,0,0,1|1,0,1]=4 2099 B17R1.14877 COc1cc(cc(c1OC)Cl)CNCC(C)O 207a_100000210904_100000184546 [0,1,0,0,0,1|1,0,1]=4 2100 B17R1.14877 COc1cc(cc(c1OC)Cl)CNCC(C)O 270004a_100000210904_100000184546 [0,1,0,0,0,1|1,0,1]=4 2101 B17R1.14877 COc1cc(cc(c1OC)I)CNCC(C)O 207a_100000210904_100000188315 [0,1,0,0,0,1|1,0,1]=4 2102 B17R1.14877 COc1cc(cc(c1OC)I)CNCC(C)O 270004a_100000210904_100000188315 [0,1,0,0,0,1|1,0,1]=4 2103 B17R1.16980 C=C(C)CCSc1ccc(c(c1)COC)OC 62a_100000730704_200011493686 [0,1,0,0,0,1|2,0,0]=4 2104 B17R1.16980 C=C(C)CCSc1ccc(c(c1)COC)OC 62a_200011493686_100000730704 [0,1,0,0,0,1|2,0,0]=4 2105 B17R1.16980 C=C(C)CNCc1ccc(c(c1)OCC)OC 2230a_100000755831_100000748629 [0,1,0,0,0,1|2,0,0]=4 2106 B17R1.16980 C=C(C)CNCc1ccc(c(c1)OCC)OC 34a_100000755831_100000748629 [0,1,0,0,0,1|2,0,0]=4 2107 B17R1.16980 C=C(F)CNCc1ccc(c(c1)OCC)OC 2230a_100000755831_100009893438 [0,1,0,0,0,1|2,0,0]=4 2108 B17R1.16980 C=C(F)CNCc1ccc(c(c1)OCC)OC 34a_100000755831_100009893438 [0,1,0,0,0,1|2,0,0]=4 2109 B17R1.16980 CCOc1cc(ccc1OC)CCNC(=O)C 11a_103437797692_100015343762 [0,1,0,0,0,1|1,0,0]=3 2110 B17R1.16980 CCOc1cc(ccc1OC)CCNC(=O)C 1626a_103437797692_100015343762 [0,1,0,0,0,1|1,0,0]=3 2111 B17R1.16980 CCOc1cc(ccc1OC)CCNC(=O)C 240690a_103437797692_100015343762 [0,1,0,0,0,1|1,0,0]=3 2112 B17R1.16980 CCOc1cc(ccc1OC)CCNC(=O)C 527a_103437797692_100103153847 [0,1,0,0,0,1|1,0,0]=3 2113 B17R1.16980 CCOc1cc(ccc1OC)CNCC(=O)N 2230a_100000755831_100000747473 [0,1,0,0,0,1|1,0,0]=3 2114 B17R1.16980 CCOc1cc(ccc1OC)CNCC(=O)N 34a_100000755831_100000187820 [0,1,0,0,0,1|1,0,0]=3 2115 B17R1.16980 CCOc1cc(ccc1OC)CNCC(=O)[O-] 34a_100000755831_100020667443 [0,1,0,0,0,1|0,0,1]=3 2116 B17R1.16980 CCOc1cc(ccc1OC)CNCC(C)O 207a_100000210904_100000170514 [0,1,0,0,0,1|1,0,1]=4 2117 B17R1.16980 CCOc1cc(ccc1OC)CNCC(C)O 2230a_100000755831_100011218427 [0,1,0,0,0,1|1,0,1]=4 2118 B17R1.16980 CCOc1cc(ccc1OC)CNCC(C)O 270004a_100000210904_100000170514 [0,1,0,0,0,1|1,0,1]=4 2119 B17R1.16980 CCOc1cc(ccc1OC)CNCC(C)O 34a_100000755831_100011218427 [0,1,0,0,0,1|1,0,1]=4 2120 B17R1.16980 CCOc1cc(ccc1OC)CNC[C@@H](C)O 2230a_100000755831_100009817552 [0,1,0,0,0,1|1,0,1]=4 2121 B17R1.16980 CCOc1cc(ccc1OC)CNC[C@@H](C)O 34a_100000755831_100009817552 [0,1,0,0,0,1|1,0,1]=4 2122 B17R1.16980 CCOc1cc(ccc1OC)CNC[N+](=O)[O-] 34a_100000755831_100000761209 [0,1,0,0,0,1|1,0,1]=4 2123 B17R1.16980 CNCc1cc(ccc1OC)SCCC(=O)C 62a_100000053229_100000690607 [0,1,0,0,0,1|2,0,0]=4 2124 B17R1.16980 CNCc1cc(ccc1OC)SCCC(=O)C 62a_100000690607_100000053229 [0,1,0,0,0,1|2,0,0]=4 2125 B17R1.16980 CNCc1cc(ccc1OC)SCCC(=O)N 62a_100000690607_100000744528 [0,1,0,0,0,1|2,0,0]=4 2126 B17R1.16980 CNCc1cc(ccc1OC)SCCC(=O)N 62a_100000744528_100000690607 [0,1,0,0,0,1|2,0,0]=4 2127 B17R1.16980 COCc1cc(ccc1OC)CNCC(C)O 207a_100000210904_100000708483 [0,1,0,0,0,1|1,0,1]=4 2128 B17R1.16980 COCc1cc(ccc1OC)CNCC(C)O 270004a_100000210904_100000708483 [0,1,0,0,0,1|1,0,1]=4 2129 B17R1.16980 COCc1cc(ccc1OC)SCCC(=O)C 62a_100000053229_200011493686 [0,1,0,0,0,1|1,0,0]=3 2130 B17R1.16980 COCc1cc(ccc1OC)SCCC(=O)C 62a_200011493686_100000053229 [0,1,0,0,0,1|1,0,0]=3 2131 B17R1.16980 COCc1cc(ccc1OC)SCCC(=O)N 62a_100000744528_200011493686 [0,1,0,0,0,1|1,0,0]=3 2132 B17R1.16980 COCc1cc(ccc1OC)SCCC(=O)N 62a_200011493686_100000744528 [0,1,0,0,0,1|1,0,0]=3 2133 B17R1.16980 COCc1cc(ccc1OC)SCCC(C)O 62a_100012276601_200011493686 [0,1,0,0,0,1|1,0,1]=4 2134 B17R1.16980 COCc1cc(ccc1OC)SCCC(C)O 62a_200011493686_100012276601 [0,1,0,0,0,1|1,0,1]=4 2135 B17R1.16980 COCc1cc(ccc1OC)SCOC(=O)C 62a_100000076356_200011493686 [0,1,0,0,0,1|2,0,0]=4 2136 B17R1.16980 COCc1cc(ccc1OC)SCOC(=O)C 62a_200011493686_100000076356 [0,1,0,0,0,1|2,0,0]=4 2137 B17R1.16980 COc1ccc(cc1CCN)SCCC(=O)C 62a_100000053229_100000763266 [0,1,0,0,0,1|2,0,0]=4 2138 B17R1.16980 COc1ccc(cc1CCN)SCCC(=O)C 62a_100000763266_100000053229 [0,1,0,0,0,1|2,0,0]=4 2139 B17R1.16980 COc1ccc(cc1CCN)SCCC(=O)N 62a_100000744528_100000763266 [0,1,0,0,0,1|2,0,0]=4 2140 B17R1.16980 COc1ccc(cc1CCN)SCCC(=O)N 62a_100000763266_100000744528 [0,1,0,0,0,1|2,0,0]=4 2141 B17R1.47977 C=C(C)CC(=O)Cc1ccc(c(c1)OC)OC 1458a_100000184093_100000748629 [0,1,0,0,0,1|2,0,0]=4 2142 B17R1.47977 C=C(C)CN(C)Cc1ccc(c(c1)OC)OC 2230a_100000180827_100000748629 [0,1,0,0,0,1|2,0,0]=4 2143 B17R1.47977 C=C(C)CN(C)Cc1ccc(c(c1)OC)OC 2230a_100000225649_100011233839 [0,1,0,0,0,1|2,0,0]=4 2144 B17R1.47977 C=C(C)CN(C)Cc1ccc(c(c1)OC)OC 269982a_100000180827_100000748629 [0,1,0,0,0,1|2,0,0]=4 2145 B17R1.47977 C=C(C)CN(C)Cc1ccc(c(c1)OC)OC 269982a_100000225649_100011233839 [0,1,0,0,0,1|2,0,0]=4 2146 B17R1.47977 C=C(C)CN(C)Cc1ccc(c(c1)OC)OC 270004a_100000225649_100000170513 [0,1,0,0,0,1|2,0,0]=4 2147 B17R1.47977 C=C(F)CC(=O)Cc1ccc(c(c1)OC)OC 1458a_100000184093_100009893438 [0,1,0,0,0,1|2,0,0]=4 2148 B17R1.47977 C=C(F)CN(C)Cc1ccc(c(c1)OC)OC 2230a_100000180827_100009893438 [0,1,0,0,0,1|2,0,0]=4 2149 B17R1.47977 C=C(F)CN(C)Cc1ccc(c(c1)OC)OC 269982a_100000180827_100009893438 [0,1,0,0,0,1|2,0,0]=4 2150 B17R1.47977 COc1cc(ccc1SC)CN(C)CC(=O)N 270004a_100000739694_100000050949 [0,1,0,0,0,1|1,1,0]=4 2151 B17R1.47977 COc1cc(cnc1OC)CN(C)CC(=O)N 270004a_100000739694_100000117638 [0,1,0,0,0,1|2,0,0]=4 2152 B17R1.47977 COc1ccc(cc1OC)CC(=O)CC(=O)N 1458a_100000184093_100000187820 [0,1,0,0,0,1|1,0,0]=3 2153 B17R1.47977 COc1ccc(cc1OC)CC(=O)CC(=O)[O-] 1458a_100000184093_100020667443 [0,1,0,0,0,1|0,0,1]=3 2154 B17R1.47977 COc1ccc(cc1OC)CC(=O)CC(C)O 1458a_100000184093_100011218427 [0,1,0,0,0,1|1,0,1]=4 2155 B17R1.47977 COc1ccc(cc1OC)CC(=O)C[N+](=O)[O-] 1458a_100000184093_100000761209 [0,1,0,0,0,1|1,0,1]=4 2156 B17R1.47977 COc1ccc(cc1OC)CN(C)CC(=O)N 2230a_100000180827_100000747473 [0,1,0,0,0,1|1,0,0]=3 2157 B17R1.47977 COc1ccc(cc1OC)CN(C)CC(=O)N 2230a_100000739694_100011233839 [0,1,0,0,0,1|1,0,0]=3 2158 B17R1.47977 COc1ccc(cc1OC)CN(C)CC(=O)N 269982a_100000180827_100000187820 [0,1,0,0,0,1|1,0,0]=3 2159 B17R1.47977 COc1ccc(cc1OC)CN(C)CC(=O)N 270004a_100000739694_100000170513 [0,1,0,0,0,1|1,0,0]=3 2160 B17R1.47977 COc1ccc(cc1OC)CN(C)CC(=O)O 269956a_100000746989_100011233839 [0,1,0,0,0,1|0,0,0]=2 2161 B17R1.47977 COc1ccc(cc1OC)CN(C)CC(=O)[O-] 269982a_100000180827_100020667443 [0,1,0,0,0,1|0,0,1]=3 2162 B17R1.47977 COc1ccc(cc1OC)CN(C)CC(C)O 2230a_100000180827_100011218427 [0,1,0,0,0,1|1,0,1]=4 2163 B17R1.47977 COc1ccc(cc1OC)CN(C)CC(C)O 2230a_100000227577_100011233839 [0,1,0,0,0,1|1,0,1]=4 2164 B17R1.47977 COc1ccc(cc1OC)CN(C)CC(C)O 269982a_100000180827_100011218427 [0,1,0,0,0,1|1,0,1]=4 2165 B17R1.47977 COc1ccc(cc1OC)CN(C)CC(C)O 269982a_100000227577_100011233839 [0,1,0,0,0,1|1,0,1]=4 2166 B17R1.47977 COc1ccc(cc1OC)CN(C)CC(C)O 270004a_100000227577_100000170513 [0,1,0,0,0,1|1,0,1]=4 2167 B17R1.47977 COc1ccc(cc1OC)CN(C)C[C@@H](C)O 2230a_100000180827_100009817552 [0,1,0,0,0,1|1,0,1]=4 2168 B17R1.47977 COc1ccc(cc1OC)CN(C)C[C@@H](C)O 269982a_100000180827_100009817552 [0,1,0,0,0,1|1,0,1]=4 2169 B17R1.47977 COc1ccc(cc1OC)CN(C)C[N+](=O)[O-] 269982a_100000180827_100000761209 [0,1,0,0,0,1|1,0,1]=4 2170 B17R1.47977 COc1ccc(cc1OC)NC(=O)CC(=O)C 1458a_100000070787_100000183518 [0,1,0,0,0,1|1,0,1]=4 2171 B17R1.47977 COc1ccc(cc1OC)NC(=O)CC(=O)N 22a_100000187404_100134613110 [0,1,0,0,0,1|1,0,1]=4 2172 B17R1.47977 COc1ccc(cc1OC)NC(=O)CC(=O)N 527a_100000187404_100134613110 [0,1,0,0,0,1|1,0,1]=4 2173 B17R1.47977 COc1ccc(cc1OC)SC(C)OC(=O)C 62a_100009818208_100011356967 [0,1,0,0,0,1|2,0,0]=4 2174 B17R1.157435 C=C(C)CCNc1cc(c(cc1C)OC)OC 34a_100000183460_100000730704 [0,1,0,0,0,1|2,0,0]=4 2175 B17R1.157435 C=C(C)CCNc1cc(c(cc1F)OC)OC 34a_100000753170_100000730704 [0,1,0,0,0,1|2,0,0]=4 2176 B17R1.157435 C=C(C)CCSc1cc(c(cc1F)OC)OC 62a_200011765842_100000730704 [0,1,0,0,0,1|2,0,0]=4 2177 B17R1.157435 C=C(C)CNCc1cc(c(cc1F)OC)OC 34a_100132302102_100000748629 [0,1,0,0,0,1|2,0,0]=4 2178 B17R1.157435 C=C(C)COCc1cc(c(cc1Br)OC)OC 34a_100000210245_100011375086 [0,1,0,0,0,1|2,0,0]=4 2179 B17R1.157435 C=C(C)COCc1cc(c(cc1Br)OC)OC 34a_200000246283_100000748629 [0,1,0,0,0,1|2,0,0]=4 2180 B17R1.157435 C=C(C)COCc1cc(c(cc1Br)OC)OC 7a_200000246283_100000748629 [0,1,0,0,0,1|2,0,0]=4 2181 B17R1.157435 C=C(C)CSCc1cc(c(cc1Br)OC)OC 62a_100011375086_100000211660 [0,1,0,0,0,1|2,0,0]=4 2182 B17R1.157435 C=C(F)CNCc1cc(c(cc1F)OC)OC 34a_100132302102_100009893438 [0,1,0,0,0,1|2,0,0]=4 2183 B17R1.157435 C=C(F)COCc1cc(c(cc1Br)OC)OC 34a_200000246283_100009893438 [0,1,0,0,0,1|2,0,0]=4 2184 B17R1.157435 C=C(F)COCc1cc(c(cc1Br)OC)OC 34a_200010262243_100011375086 [0,1,0,0,0,1|2,0,0]=4 2185 B17R1.157435 C=C(F)COCc1cc(c(cc1Br)OC)OC 7a_200000246283_100000042424 [0,1,0,0,0,1|2,0,0]=4 2186 B17R1.157435 C=C(F)CSCc1cc(c(cc1Br)OC)OC 62a_100011375086_100000042424 [0,1,0,0,0,1|2,0,0]=4 2187 B17R1.157435 COc1cc(c(cc1OC)CCNC(=O)C)Br 11a_200000215632_100015343762 [0,1,0,0,0,1|1,0,0]=3 2188 B17R1.157435 COc1cc(c(cc1OC)CCNC(=O)C)Br 1626a_200000215632_100015343762 [0,1,0,0,0,1|1,0,0]=3 2189 B17R1.157435 COc1cc(c(cc1OC)CCNC(=O)C)Br 240690a_200000215632_100015343762 [0,1,0,0,0,1|1,0,0]=3 2190 B17R1.157435 COc1cc(c(cc1OC)CCNC(=O)C)Br 527a_200000215632_100103153847 [0,1,0,0,0,1|1,0,0]=3 2191 B17R1.157435 COc1cc(c(cc1OC)CNCC(=O)N)F 34a_100132302102_100000187820 [0,1,0,0,0,1|1,0,0]=3 2192 B17R1.157435 COc1cc(c(cc1OC)CNCC(=O)O)Br 269956a_100016091260_100011375086 [0,1,0,0,0,1|0,0,0]=2 2193 B17R1.157435 COc1cc(c(cc1OC)CNCC(=O)[O-])F 34a_100132302102_100020667443 [0,1,0,0,0,1|0,0,1]=3 2194 B17R1.157435 COc1cc(c(cc1OC)CNCC(C)O)Br 207a_100000210904_100000170863 [0,1,0,0,0,1|1,0,1]=4 2195 B17R1.157435 COc1cc(c(cc1OC)CNCC(C)O)Br 270004a_100000210904_100000170863 [0,1,0,0,0,1|1,0,1]=4 2196 B17R1.157435 COc1cc(c(cc1OC)CNCC(C)O)Br 34a_100000210904_100011375086 [0,1,0,0,0,1|1,0,1]=4 2197 B17R1.157435 COc1cc(c(cc1OC)CNCC(C)O)C 207a_100000210904_100000685059 [0,1,0,0,0,1|1,0,1]=4 2198 B17R1.157435 COc1cc(c(cc1OC)CNCC(C)O)C 270004a_100000210904_100000685059 [0,1,0,0,0,1|1,0,1]=4 2199 B17R1.157435 COc1cc(c(cc1OC)CNCC(C)O)Cl 207a_100000210904_100000186741 [0,1,0,0,0,1|1,0,1]=4 2200 B17R1.157435 COc1cc(c(cc1OC)CNCC(C)O)Cl 270004a_100000210904_100000186741 [0,1,0,0,0,1|1,0,1]=4 2201 B17R1.157435 COc1cc(c(cc1OC)CNCC(C)O)F 207a_100000210904_100011218750 [0,1,0,0,0,1|1,0,1]=4 2202 B17R1.157435 COc1cc(c(cc1OC)CNCC(C)O)F 270004a_100000210904_100011218750 [0,1,0,0,0,1|1,0,1]=4 2203 B17R1.157435 COc1cc(c(cc1OC)CNCC(C)O)F 34a_100132302102_100011218427 [0,1,0,0,0,1|1,0,1]=4 2204 B17R1.157435 COc1cc(c(cc1OC)CNCC(C)O)I 207a_100000210904_100010174930 [0,1,0,0,0,1|1,0,1]=4 2205 B17R1.157435 COc1cc(c(cc1OC)CNCC(C)O)I 270004a_100000210904_100010174930 [0,1,0,0,0,1|1,0,1]=4 2206 B17R1.157435 COc1cc(c(cc1OC)CNC[C@@H](C)O)F 34a_100132302102_100009817552 [0,1,0,0,0,1|1,0,1]=4 2207 B17R1.157435 COc1cc(c(cc1OC)CNC[N+](=O)[O-])F 34a_100132302102_100000761209 [0,1,0,0,0,1|1,0,1]=4 2208 B17R1.157435 COc1cc(c(cc1OC)COCC(=O)C)Br 34a_100000211253_100011375086 [0,1,0,0,0,1|1,0,0]=3 2209 B17R1.157435 COc1cc(c(cc1OC)COCC(=O)N)Br 34a_200000246283_100000187820 [0,1,0,0,0,1|1,0,0]=3 2210 B17R1.157435 COc1cc(c(cc1OC)COCC(=O)N)Br 7a_200000246283_100000187820 [0,1,0,0,0,1|1,0,0]=3 2211 B17R1.157435 COc1cc(c(cc1OC)COCC(=O)[O-])Br 34a_200000246283_100020667443 [0,1,0,0,0,1|0,0,1]=3 2212 B17R1.157435 COc1cc(c(cc1OC)COCC(C)O)Br 34a_200000246283_100011218427 [0,1,0,0,0,1|1,0,1]=4 2213 B17R1.157435 COc1cc(c(cc1OC)COCC(C)O)Br 7a_200000246283_100011218427 [0,1,0,0,0,1|1,0,1]=4 2214 B17R1.157435 COc1cc(c(cc1OC)COC[C@@H](C)O)Br 34a_200000246283_100009817552 [0,1,0,0,0,1|1,0,1]=4 2215 B17R1.157435 COc1cc(c(cc1OC)COC[C@@H](C)O)Br 7a_200000246283_100009817552 [0,1,0,0,0,1|1,0,1]=4 2216 B17R1.157435 COc1cc(c(cc1OC)COC[N+](=O)[O-])Br 34a_200000246283_100000761209 [0,1,0,0,0,1|1,0,1]=4 2217 B17R1.157435 COc1cc(c(cc1OC)CSCC(=O)N)Br 62a_100011375086_100000747473 [0,1,0,0,0,1|1,0,0]=3 2218 B17R1.157435 COc1cc(c(cc1OC)CSCC(=O)[O-])Br 62a_100011375086_100020667443 [0,1,0,0,0,1|0,0,1]=3 2219 B17R1.157435 COc1cc(c(cc1OC)CSCC(C)O)Br 62a_100011375086_100011218427 [0,1,0,0,0,1|1,0,1]=4 2220 B17R1.157435 COc1cc(c(cc1OC)CSC[C@@H](C)O)Br 62a_100011375086_100009817552 [0,1,0,0,0,1|1,0,1]=4 2221 B17R1.157435 COc1cc(c(cc1OC)CSC[N+](=O)[O-])Br 62a_100011375086_100000761209 [0,1,0,0,0,1|1,0,1]=4 2222 B17R1.157435 COc1cc(c(cc1OC)NCCC(=O)N)C 34a_100000183460_100000731001 [0,1,0,0,0,1|1,0,0]=3 2223 B17R1.157435 COc1cc(c(cc1OC)NCCC(=O)N)F 34a_100000753170_100000731001 [0,1,0,0,0,1|1,0,0]=3 2224 B17R1.157435 COc1cc(c(cc1OC)NCCC(C)O)C 34a_100000183460_100012276601 [0,1,0,0,0,1|1,0,1]=4 2225 B17R1.157435 COc1cc(c(cc1OC)NCCC(C)O)F 34a_100000753170_100012276601 [0,1,0,0,0,1|1,0,1]=4 2226 B17R1.157435 COc1cc(c(cc1OC)NCOC(=O)C)C 34a_100000183460_100009813279 [0,1,0,0,0,1|2,0,0]=4 2227 B17R1.157435 COc1cc(c(cc1OC)NCOC(=O)C)F 34a_100000753170_100009813279 [0,1,0,0,0,1|2,0,0]=4 2228 B17R1.157435 COc1cc(c(cc1OC)SCCC(=O)C)F 62a_200011765842_100000053229 [0,1,0,0,0,1|1,0,0]=3 2229 B17R1.157435 COc1cc(c(cc1OC)SCCC(=O)N)F 62a_200011765842_100000744528 [0,1,0,0,0,1|1,0,0]=3 2230 B17R1.157435 COc1cc(c(cc1OC)SCCC(C)O)F 62a_200011765842_100012276601 [0,1,0,0,0,1|1,0,1]=4 2231 B17R1.157435 COc1cc(c(cc1OC)SCOC(=O)C)F 62a_200011765842_100000076356 [0,1,0,0,0,1|2,0,0]=4 2232 B17R1.157435 COc1cc(c(nc1OC)SCCC(=O)C)C 62a_100000053229_200011016175 [0,1,0,0,0,1|2,0,0]=4 2233 B17R1.157435 COc1cc(c(nc1OC)SCCC(=O)N)C 62a_100000744528_200011016175 [0,1,0,0,0,1|2,0,0]=4 2234 B17R1.157928 C#CC(=O)CCCc1ccc(c(c1)OC)OC 1458a_100000211873_200012094798 [0,1,0,0,0,1|1,0,0]=3 2235 B17R1.157928 C=C(C#N)CNCc1ccc(c(c1)OC)OC 34a_100000185555_100000694840 [0,1,0,0,0,1|2,0,0]=4 2236 B17R1.157928 C=C(C#N)COCc1ccc(c(c1)OC)OC 34a_100000210929_100000694840 [0,1,0,0,0,1|2,0,0]=4 2237 B17R1.157928 C=CC(=O)CCCc1ccc(c(c1)OC)OC 1458a_100000185746_200012094798 [0,1,0,0,0,1|1,0,0]=3 2238 B17R1.157928 C=CC(=O)NCCc1ccc(c(c1)OC)OC 1626a_100000210947_100000185746 [0,1,0,0,0,1|1,0,0]=3 2239 B17R1.157928 C=CC(=O)NCCc1ccc(c(c1)OC)OC 240690a_100000210947_200121576911 [0,1,0,0,0,1|1,0,0]=3 2240 B17R1.157928 C=CC(O)CNCc1ccc(c(c1)OC)OC 34a_100000185555_100000730141 [0,1,0,0,0,1|1,0,1]=4 2241 B17R1.157928 C=CC(O)COCc1ccc(c(c1)OC)OC 34a_100000210929_100000730141 [0,1,0,0,0,1|1,0,1]=4 2242 B17R1.157928 C=CC(O)CSCc1ccc(c(c1)OC)OC 62a_100000730141_100011233839 [0,1,0,0,0,1|1,0,1]=4 2243 B17R1.157928 CCC(=O)CCCc1ccc(c(c1)OC)OC 1458a_100000210414_200012094798 [0,1,0,0,0,1|1,0,0]=3 2244 B17R1.157928 CCC(=O)CCCc1ccc(c(c1)OC)OC 1458a_100011217081_100000210202 [0,1,0,0,0,1|1,0,0]=3 2245 B17R1.157928 CCC(=O)CSCc1ccc(c(c1)OC)OC 62a_100000747405_100011233839 [0,1,0,0,0,1|1,0,0]=3 2246 B17R1.157928 CCC(=O)NCCc1ccc(c(c1)OC)OC 11a_100000210947_100000210414 [0,1,0,0,0,1|1,0,0]=3 2247 B17R1.157928 CCC(=O)NCCc1ccc(c(c1)OC)OC 1626a_100000210947_100000210414 [0,1,0,0,0,1|1,0,0]=3 2248 B17R1.157928 CCC(=O)NCCc1ccc(c(c1)OC)OC 240690a_100000210947_100000210414 [0,1,0,0,0,1|1,0,0]=3 2249 B17R1.157928 CCC(=O)NCCc1ccc(c(c1)OC)OC 527a_100000210947_100000210414 [0,1,0,0,0,1|1,0,0]=3 2250 B17R1.157928 CCC(O)CNCc1ccc(c(c1)OC)OC 207a_100011218483_100000170513 [0,1,0,0,0,1|1,0,1]=4 2251 B17R1.157928 CCC(O)CNCc1ccc(c(c1)OC)OC 2230a_100011218483_100011233839 [0,1,0,0,0,1|1,0,1]=4 2252 B17R1.157928 CCC(O)CNCc1ccc(c(c1)OC)OC 270004a_100011218483_100000170513 [0,1,0,0,0,1|1,0,1]=4 2253 B17R1.157928 CCC(O)CNCc1ccc(c(c1)OC)OC 34a_100000185555_100011218378 [0,1,0,0,0,1|1,0,1]=4 2254 B17R1.157928 CCC(O)COCc1ccc(c(c1)OC)OC 34a_100000210929_100011218378 [0,1,0,0,0,1|1,0,1]=4 2255 B17R1.157928 CCC(O)CSCc1ccc(c(c1)OC)OC 62a_100011218378_100011233839 [0,1,0,0,0,1|1,0,1]=4 2256 B17R1.157928 CCc1cc(ccc1OC)SCCC(=O)NC 62a_100000737683_200010179862 [0,1,0,0,0,1|2,0,0]=4 2257 B17R1.157928 CCc1cc(ccc1OC)SCCC(=O)NC 62a_200010179862_100000737683 [0,1,0,0,0,1|2,0,0]=4 2258 B17R1.157928 CCc1cc(ccc1OC)SCCC(=O)OC 62a_100000204255_200010179862 [0,1,0,0,0,1|1,0,0]=3 2259 B17R1.157928 CCc1cc(ccc1OC)SCCC(=O)OC 62a_200010179862_100000204255 [0,1,0,0,0,1|1,0,0]=3 2260 B17R1.157928 CCc1cc(ccc1OC)SCOC(=O)OC 62a_200010179862_100000139417 [0,1,0,0,0,1|2,0,0]=4 2261 B17R1.157928 CCc1ccc(cc1OC)SCCC(=O)NC 62a_100000737683_200010710398 [0,1,0,0,0,1|2,0,0]=4 2262 B17R1.157928 CCc1ccc(cc1OC)SCCC(=O)NC 62a_200010710398_100000737683 [0,1,0,0,0,1|2,0,0]=4 2263 B17R1.157928 CCc1ccc(cc1OC)SCCC(=O)OC 62a_100000204255_200010710398 [0,1,0,0,0,1|1,0,0]=3 2264 B17R1.157928 CCc1ccc(cc1OC)SCCC(=O)OC 62a_200010710398_100000204255 [0,1,0,0,0,1|1,0,0]=3 2265 B17R1.157928 CCc1ccc(cc1OC)SCOC(=O)OC 62a_200010710398_100000139417 [0,1,0,0,0,1|2,0,0]=4 2266 B17R1.157928 CNC(=O)CCCc1ccc(c(c1)OC)OC 11a_106832991635_100011217081 [0,1,0,0,0,1|1,0,0]=3 2267 B17R1.157928 CNC(=O)CCCc1ccc(c(c1)OC)OC 1626a_100102657272_100011217081 [0,1,0,0,0,1|1,0,0]=3 2268 B17R1.157928 CNC(=O)CCCc1ccc(c(c1)OC)OC 240690a_100102657272_100011217081 [0,1,0,0,0,1|1,0,0]=3 2269 B17R1.157928 CNC(=O)CCCc1ccc(c(c1)OC)OC 527a_100102657272_100011217081 [0,1,0,0,0,1|1,0,0]=3 2270 B17R1.157928 CNC(=O)CCNc1ccc(c(c1)OC)OC 34a_100000187404_100012179268 [0,1,0,0,0,1|1,0,0]=3 2271 B17R1.157928 CNC(=O)CCOc1ccc(c(c1)OC)OC 34a_100000039706_100012179268 [0,1,0,0,0,1|1,0,0]=3 2272 B17R1.157928 CNC(=O)CCSc1ccc(c(c1)OC)OC 62a_100000737683_100011356967 [0,1,0,0,0,1|1,0,0]=3 2273 B17R1.157928 CNC(=O)CCSc1ccc(c(c1)OC)SC 62a_200011001119_100000737683 [0,1,0,0,0,1|1,1,0]=4 2274 B17R1.157928 CNC(=O)CCSc1ccc(c(c1)SC)OC 62a_200009892704_100000737683 [0,1,0,0,0,1|1,1,0]=4 2275 B17R1.157928 CNC(=O)CCSc1ccc(c(n1)OC)OC 62a_100000737683_100010214848 [0,1,0,0,0,1|2,0,0]=4 2276 B17R1.157928 CNC(=O)CCSc1cnc(c(c1)OC)OC 62a_100000737683_100010234541 [0,1,0,0,0,1|2,0,0]=4 2277 B17R1.157928 CNC(=O)CNCc1ccc(c(c1)OC)OC 207a_100000693194_100000170513 [0,1,0,0,0,1|1,0,0]=3 2278 B17R1.157928 CNC(=O)CNCc1ccc(c(c1)OC)OC 2230a_100000693194_100011233839 [0,1,0,0,0,1|1,0,0]=3 2279 B17R1.157928 CNC(=O)CNCc1ccc(c(c1)OC)OC 270004a_100000693194_100000170513 [0,1,0,0,0,1|1,0,0]=3 2280 B17R1.157928 CNC(=O)CNCc1ccc(c(c1)OC)OC 34a_100000185555_100000183359 [0,1,0,0,0,1|1,0,0]=3 2281 B17R1.157928 CNC(=O)CNCc1ccc(c(c1)OC)SC 207a_100000693194_100000050949 [0,1,0,0,0,1|1,1,0]=4 2282 B17R1.157928 CNC(=O)CNCc1ccc(c(c1)OC)SC 270004a_100000693194_100000050949 [0,1,0,0,0,1|1,1,0]=4 2283 B17R1.157928 CNC(=O)CNCc1cnc(c(c1)OC)OC 207a_100000693194_100000117638 [0,1,0,0,0,1|2,0,0]=4 2284 B17R1.157928 CNC(=O)CNCc1cnc(c(c1)OC)OC 270004a_100000693194_100000117638 [0,1,0,0,0,1|2,0,0]=4 2285 B17R1.157928 CNC(=O)COCc1ccc(c(c1)OC)OC 34a_100000210929_100000183359 [0,1,0,0,0,1|1,0,0]=3 2286 B17R1.157928 CNC(=O)CSCc1ccc(c(c1)OC)OC 62a_100000183359_100011233839 [0,1,0,0,0,1|1,0,0]=3 2287 B17R1.157928 CNC(=O)NCCc1ccc(c(c1)OC)OC 2708a_100000210947_106832991635 [0,1,0,0,0,1|1,0,0]=3 2288 B17R1.157928 CNC(=O)NCCc1ccc(c(c1)OC)OC 2708a_100102657272_100000210947 [0,1,0,0,0,1|1,0,0]=3 2289 B17R1.157928 CNC(=O)NCCc1ccc(c(c1)OC)OC 273464a_100000210947_100102657272 [0,1,0,0,0,1|1,0,0]=3 2290 B17R1.157928 CNC(=O)NCCc1ccc(c(c1)OC)OC 273464a_100102657272_100000210947 [0,1,0,0,0,1|1,0,0]=3 2291 B17R1.157928 CNC(=O)NCCc1ccc(c(c1)OC)OC 512a_100000210947_100102657272 [0,1,0,0,0,1|1,0,0]=3 2292 B17R1.157928 CNC(=O)NCCc1ccc(c(c1)OC)OC 512a_106832991638_100000210947 [0,1,0,0,0,1|1,0,0]=3 2293 B17R1.157928 COC(=O)C=NNc1ccc(c(c1)OC)OC 4a_100000071703_200011823558 [0,1,0,0,0,1|1,0,1]=4 2294 B17R1.157928 COC(=O)CCNc1ccc(c(c1)C#N)OC 34a_100011204338_100000742370 [0,1,0,0,0,1|2,0,0]=4 2295 B17R1.157928 COC(=O)CCNc1ccc(c(c1)C#N)OC 7a_100011204338_100000204255 [0,1,0,0,0,1|2,0,0]=4 2296 B17R1.157928 COC(=O)CCNc1ccc(c(c1)OC)C#N 34a_100011999456_100000742370 [0,1,0,0,0,1|2,0,0]=4 2297 B17R1.157928 COC(=O)CCNc1ccc(c(c1)OC)CO 34a_100012183141_100000742370 [0,1,0,0,0,1|2,0,0]=4 2298 B17R1.157928 COC(=O)CCNc1ccc(c(c1)OC)OC 34a_100000187404_100000742370 [0,1,0,0,0,1|0,0,0]=2 2299 B17R1.157928 COC(=O)CCOc1ccc(c(c1)OC)CO 34a_200000116926_100000742370 [0,1,0,0,0,1|2,0,0]=4 2300 B17R1.157928 COC(=O)CCOc1ccc(c(c1)OC)OC 34a_100000039706_100000742370 [0,1,0,0,0,1|0,0,0]=2 2301 B17R1.157928 COC(=O)CCSc1cc(c(nn1)OC)OC 62a_100000204255_200000095610 [0,1,0,0,0,1|2,0,0]=4 2302 B17R1.157928 COC(=O)CCSc1ccc(c(c1)C#N)OC 62a_100000204255_100000188252 [0,1,0,0,0,1|2,0,0]=4 2303 B17R1.157928 COC(=O)CCSc1ccc(c(c1)C=O)OC 62a_100000170026_100000204255 [0,1,0,0,0,1|2,0,0]=4 2304 B17R1.157928 COC(=O)CCSc1ccc(c(c1)C=O)OC 62a_100000204255_100000170026 [0,1,0,0,0,1|2,0,0]=4 2305 B17R1.157928 COC(=O)CCSc1ccc(c(c1)CN)OC 62a_100000204255_100000690498 [0,1,0,0,0,1|2,0,0]=4 2306 B17R1.157928 COC(=O)CCSc1ccc(c(c1)CN)OC 62a_100000690498_100000204255 [0,1,0,0,0,1|2,0,0]=4 2307 B17R1.157928 COC(=O)CCSc1ccc(c(c1)CO)OC 62a_100000204255_100000204679 [0,1,0,0,0,1|2,0,0]=4 2308 B17R1.157928 COC(=O)CCSc1ccc(c(c1)CO)OC 62a_100000204679_100000204255 [0,1,0,0,0,1|2,0,0]=4 2309 B17R1.157928 COC(=O)CCSc1ccc(c(c1)OC)C#N 62a_100000204255_100000694671 [0,1,0,0,0,1|2,0,0]=4 2310 B17R1.157928 COC(=O)CCSc1ccc(c(c1)OC)C=O 62a_100000204255_100010290300 [0,1,0,0,0,1|2,0,0]=4 2311 B17R1.157928 COC(=O)CCSc1ccc(c(c1)OC)C=O 62a_100000697075_100000204255 [0,1,0,0,0,1|2,0,0]=4 2312 B17R1.157928 COC(=O)CCSc1ccc(c(c1)OC)CO 62a_100000204255_100011277633 [0,1,0,0,0,1|2,0,0]=4 2313 B17R1.157928 COC(=O)CCSc1ccc(c(c1)OC)CO 62a_100011277633_100000204255 [0,1,0,0,0,1|2,0,0]=4 2314 B17R1.157928 COC(=O)CCSc1ccc(c(c1)OC)OC 62a_100000204255_100011356967 [0,1,0,0,0,1|0,0,0]=2 2315 B17R1.157928 COC(=O)CCSc1ccc(c(c1)OC)SC 62a_200011001119_100000204255 [0,1,0,0,0,1|0,1,0]=3 2316 B17R1.157928 COC(=O)CCSc1ccc(c(c1)SC)OC 62a_200009892704_100000204255 [0,1,0,0,0,1|0,1,0]=3 2317 B17R1.157928 COC(=O)CCSc1ccc(c(n1)OC)OC 62a_100000204255_100010214848 [0,1,0,0,0,1|1,0,0]=3 2318 B17R1.157928 COC(=O)CCSc1cnc(c(c1)OC)OC 62a_100000204255_100010234541 [0,1,0,0,0,1|1,0,0]=3 2319 B17R1.157928 COC(=O)CCSc1cnc(c(n1)OC)OC 62a_100000204255_100010132954 [0,1,0,0,0,1|2,0,0]=4 2320 B17R1.157928 COC(=O)CCSc1cnc(c(n1)OC)OC 62a_100010132954_100000204255 [0,1,0,0,0,1|2,0,0]=4 2321 B17R1.157928 COC(=O)CCSc1ncc(c(n1)OC)OC 62a_100000204255_100010280452 [0,1,0,0,0,1|2,0,0]=4 2322 B17R1.157928 COC(=O)CNCc1ccc(c(c1)OC)OC 34a_100000185555_100000747449 [0,1,0,0,0,1|0,0,0]=2 2323 B17R1.157928 COC(=O)COCc1ccc(c(c1)OC)OC 34a_100000210929_100000747449 [0,1,0,0,0,1|0,0,0]=2 2324 B17R1.157928 COC(=O)CSCc1ccc(c(c1)OC)OC 62a_100000747449_100011233839 [0,1,0,0,0,1|0,0,0]=2 2325 B17R1.157928 COC(=O)OCSc1ccc(c(c1)OC)SC 62a_200011001119_100000139417 [0,1,0,0,0,1|1,1,0]=4 2326 B17R1.157928 COC(=O)OCSc1ccc(c(c1)SC)OC 62a_200009892704_100000139417 [0,1,0,0,0,1|1,1,0]=4 2327 B17R1.157928 COc1ccc(cc1OC)CCCC(=O)CF 1458a_100011217081_100015361967 [0,1,0,0,0,1|1,0,0]=3 2328 B17R1.157928 COc1ccc(cc1OC)CCCC(=O)CO 1458a_100000210174_200012094798 [0,1,0,0,0,1|0,0,0]=2 2329 B17R1.157928 COc1ccc(cc1OC)CCNC(=O)CO 240690a_100000210947_100000210174 [0,1,0,0,0,1|0,0,0]=2 2330 B17R1.157928 COc1ccc(cc1OC)CCNC(=O)CO 527a_100000210947_100000210174 [0,1,0,0,0,1|0,0,0]=2 2331 B17R1.157928 COc1ccc(cc1OC)CCNC(C)CO 2230a_100000210947_100012180447 [0,1,0,0,0,1|1,0,1]=4 2332 B17R1.157928 COc1ccc(cc1OC)CCNC(C)CO 34a_100000210947_100012180447 [0,1,0,0,0,1|1,0,1]=4 2333 B17R1.157928 COc1ccc(cc1OC)CCN[C@H](C)CO 2230a_100000737577_100011273988 [0,1,0,0,0,1|1,0,1]=4 2334 B17R1.157928 COc1ccc(cc1OC)CCN[C@H](C)CO 270004a_100000737577_100011754369 [0,1,0,0,0,1|1,0,1]=4 2335 B17R1.157928 COc1ccc(cc1OC)CCOC(C)CO 34a_100011215274_100012180447 [0,1,0,0,0,1|1,0,1]=4 2336 B17R1.157928 COc1ccc(cc1OC)CCSC(C)CO 62a_100012180447_100011740610 [0,1,0,0,0,1|1,0,1]=4 2337 B17R1.157928 COc1ccc(cc1OC)CCSC(C)OC 62a_100009879195_100011740610 [0,1,0,0,0,1|1,0,1]=4 2338 B17R1.157928 COc1ccc(cc1OC)CCS[C@H](C)CO 62a_100016084084_100011740610 [0,1,0,0,0,1|1,0,1]=4 2339 B17R1.157928 COc1ccc(cc1OC)CNCC(C)CO 207a_100000744482_100000170513 [0,1,0,0,0,1|1,0,1]=4 2340 B17R1.157928 COc1ccc(cc1OC)CNCC(O)CO 34a_100000185555_100011219619 [0,1,0,0,0,1|0,0,2]=4 2341 B17R1.157928 COc1ccc(cc1OC)CNC[C@@H](C)CO 34a_100000185555_100000059175 [0,1,0,0,0,1|1,0,1]=4 2342 B17R1.157928 COc1ccc(cc1OC)CNC[C@@H](C)OC 207a_100020591295_100000170513 [0,1,0,0,0,1|1,0,1]=4 2343 B17R1.157928 COc1ccc(cc1OC)CNC[C@@H](C)OC 2230a_100020591295_100011233839 [0,1,0,0,0,1|1,0,1]=4 2344 B17R1.157928 COc1ccc(cc1OC)CNC[C@@H](C)OC 270004a_100020591295_100000170513 [0,1,0,0,0,1|1,0,1]=4 2345 B17R1.157928 COc1ccc(cc1OC)CNC[C@@H](F)CO 207a_100015665980_100000170513 [0,1,0,0,0,1|1,0,1]=4 2346 B17R1.157928 COc1ccc(cc1OC)CNC[C@@H](F)CO 270004a_100015665980_100000170513 [0,1,0,0,0,1|1,0,1]=4 2347 B17R1.157928 COc1ccc(cc1OC)CNC[C@@H](O)CF 34a_100000185555_100015614560 [0,1,0,0,0,1|1,0,1]=4 2348 B17R1.157928 COc1ccc(cc1OC)CNC[C@@H](O)CO 34a_100000185555_100009815848 [0,1,0,0,0,1|0,0,2]=4 2349 B17R1.157928 COc1ccc(cc1OC)CNC[C@H](O)CO 207a_100020644852_100000170513 [0,1,0,0,0,1|0,0,2]=4 2350 B17R1.157928 COc1ccc(cc1OC)CNC[C@H](O)CO 2230a_100020644852_100011233839 [0,1,0,0,0,1|0,0,2]=4 2351 B17R1.157928 COc1ccc(cc1OC)COCC(O)CO 34a_100000210929_100011219619 [0,1,0,0,0,1|0,0,2]=4 2352 B17R1.157928 COc1ccc(cc1OC)COC[C@@H](C)CO 34a_100000210929_100000059175 [0,1,0,0,0,1|1,0,1]=4 2353 B17R1.157928 COc1ccc(cc1OC)COC[C@@H](O)CF 34a_100000210929_100015614560 [0,1,0,0,0,1|1,0,1]=4 2354 B17R1.157928 COc1ccc(cc1OC)COC[C@@H](O)CO 34a_100000210929_100009815848 [0,1,0,0,0,1|0,0,2]=4 2355 B17R1.157928 COc1ccc(cc1OC)CSCC(O)CO 62a_100011219619_100011233839 [0,1,0,0,0,1|0,0,2]=4 2356 B17R1.157928 COc1ccc(cc1OC)CSC[C@@H](C)CO 62a_100000059175_100011233839 [0,1,0,0,0,1|1,0,1]=4 2357 B17R1.157928 COc1ccc(cc1OC)CSC[C@@H](O)CF 62a_100015614560_100011233839 [0,1,0,0,0,1|1,0,1]=4 2358 B17R1.157928 COc1ccc(cc1OC)CSC[C@@H](O)CO 62a_100009815848_100011233839 [0,1,0,0,0,1|0,0,2]=4 2359 B17R1.157929 C=C(C)C(=O)CCc1ccc(c(c1)OC)OC 1458a_100000185857_100011740610 [0,1,0,0,0,1|2,0,0]=4 2360 B17R1.157929 C=C(C)C(C)NCc1ccc(c(c1)OC)OC 269862a_100000185555_100011216138 [0,1,0,0,0,1|2,0,0]=4 2361 B17R1.157929 COc1cc(ccc1SC)CN[C@H](C)C(=O)N 270004a_100000119354_100000050949 [0,1,0,0,0,1|1,1,0]=4 2362 B17R1.157929 COc1cc(cnc1OC)CN[C@H](C)C(=O)N 270004a_100000119354_100000117638 [0,1,0,0,0,1|2,0,0]=4 2363 B17R1.157929 COc1ccc(cc1OC)CCC(=O)C(O)O 1458a_100000233687_100011740610 [0,1,0,0,0,1|0,0,2]=4 2364 B17R1.157929 COc1ccc(cc1OC)CCC(=O)[C@@H](C)O 1458a_100000717761_100011740610 [0,1,0,0,0,1|1,0,1]=4 2365 B17R1.157929 COc1ccc(cc1OC)CCC(=O)[C@H](C)O 1458a_217856618621_100011740610 [0,1,0,0,0,1|1,0,1]=4 2366 B17R1.157929 COc1ccc(cc1OC)CCN(C)C(=O)C 11a_100000211294_100015343762 [0,1,0,0,0,1|1,0,0]=3 2367 B17R1.157929 COc1ccc(cc1OC)CCN(C)C(=O)C 1626a_100000211294_100015343762 [0,1,0,0,0,1|1,0,0]=3 2368 B17R1.157929 COc1ccc(cc1OC)CCN(C)C(=O)C 240690a_100000211294_100015343762 [0,1,0,0,0,1|1,0,0]=3 2369 B17R1.157929 COc1ccc(cc1OC)CCN(C)C(=O)C 527a_100000211294_100103153847 [0,1,0,0,0,1|1,0,0]=3 2370 B17R1.157929 COc1ccc(cc1OC)CNC(=O)C(=O)N 240690a_100000185555_100011215815 [0,1,0,0,0,1|1,0,1]=4 2371 B17R1.157929 COc1ccc(cc1OC)CNC(C)C(=O)N 34a_100000185555_100000702099 [0,1,0,0,0,1|1,0,0]=3 2372 B17R1.157929 COc1ccc(cc1OC)CNC(F)C(=O)N 34a_100000185555_100009813875 [0,1,0,0,0,1|1,0,0]=3 2373 B17R1.157929 COc1ccc(cc1OC)CNC(F)C(=O)[O-] 34a_100000185555_100020610796 [0,1,0,0,0,1|0,0,1]=3 2374 B17R1.157929 COc1ccc(cc1OC)CN[C@@H](C)C(=O)O 269956a_100000743915_100011233839 [0,1,0,0,0,1|0,0,0]=2 2375 B17R1.157929 COc1ccc(cc1OC)CN[C@H](C)C(=O)N 2230a_100000119354_100011233839 [0,1,0,0,0,1|1,0,0]=3 2376 B17R1.157929 COc1ccc(cc1OC)CN[C@H](C)C(=O)N 270004a_100000119354_100000170513 [0,1,0,0,0,1|1,0,0]=3 2377 B17R1.157929 COc1ccc(cc1OC)COC(C)C(=O)N 34a_100000210929_100000702099 [0,1,0,0,0,1|1,0,0]=3 2378 B17R1.157929 COc1ccc(cc1OC)COC(F)C(=O)N 34a_100000210929_100009813875 [0,1,0,0,0,1|1,0,0]=3 2379 B17R1.157929 COc1ccc(cc1OC)COC(F)C(=O)[O-] 34a_100000210929_100020610796 [0,1,0,0,0,1|0,0,1]=3 2380 B17R1.157929 COc1ccc(cc1OC)CSC(C)C(=O)C 62a_100009814033_100011233839 [0,1,0,0,0,1|1,0,0]=3 2381 B17R1.157929 COc1ccc(cc1OC)CSC(C)C(=O)N 62a_100000702099_100011233839 [0,1,0,0,0,1|1,0,0]=3 2382 B17R1.157929 COc1ccc(cc1OC)CSC(F)C(=O)N 62a_100009813875_100011233839 [0,1,0,0,0,1|1,0,0]=3 2383 B17R1.157929 COc1ccc(cc1OC)CSC(F)C(=O)[O-] 62a_100020610796_100011233839 [0,1,0,0,0,1|0,0,1]=3 2384 B17R1.157929 COc1ccc(cc1OC)NCC(=O)C(=O)C 34a_100000187404_100011261029 [0,1,0,0,0,1|1,0,1]=4 2385 B17R1.157929 COc1ccc(cc1OC)OCC(=O)C(=O)C 34a_100000039706_100011261029 [0,1,0,0,0,1|1,0,1]=4 2386 B17R1.157929 COc1ccc(cc1OC)SCC(=O)C(=O)C 62a_100011261029_100011356967 [0,1,0,0,0,1|1,0,1]=4 2387 B17R1.164932 C=C(C)CCSc1ccc(c(c1C)OC)OC 62a_100000730704_100010000156 [0,1,0,0,0,1|2,0,0]=4 2388 B17R1.164932 C=C(C)CNCc1ccc(c(c1Cl)OC)OC 34a_102515433231_100000748629 [0,1,0,0,0,1|2,0,0]=4 2389 B17R1.164932 C=C(C)COCc1ccc(c(c1Cl)OC)OC 34a_100011218542_100000748629 [0,1,0,0,0,1|2,0,0]=4 2390 B17R1.164932 C=C(C)COCc1ccc(c(c1Cl)OC)OC 7a_100011218542_100000748629 [0,1,0,0,0,1|2,0,0]=4 2391 B17R1.164932 C=C(C)CSCc1ccc(c(c1Cl)OC)OC 62a_100000748629_100011890039 [0,1,0,0,0,1|2,0,0]=4 2392 B17R1.164932 C=C(F)CNCc1ccc(c(c1Cl)OC)OC 34a_102515433231_100009893438 [0,1,0,0,0,1|2,0,0]=4 2393 B17R1.164932 C=C(F)COCc1ccc(c(c1Cl)OC)OC 34a_100011218542_100009893438 [0,1,0,0,0,1|2,0,0]=4 2394 B17R1.164932 C=C(F)COCc1ccc(c(c1Cl)OC)OC 7a_100011218542_100000042424 [0,1,0,0,0,1|2,0,0]=4 2395 B17R1.164932 C=C(F)CSCc1ccc(c(c1Cl)OC)OC 62a_100000042424_100011890039 [0,1,0,0,0,1|2,0,0]=4 2396 B17R1.164932 COc1ccc(c(c1OC)Br)CNCC(C)O 207a_100000210904_100009814707 [0,1,0,0,0,1|1,0,1]=4 2397 B17R1.164932 COc1ccc(c(c1OC)Br)CNCC(C)O 270004a_100000210904_100009814707 [0,1,0,0,0,1|1,0,1]=4 2398 B17R1.164932 COc1ccc(c(c1OC)C)CNCC(C)O 207a_100000210904_100000050322 [0,1,0,0,0,1|1,0,1]=4 2399 B17R1.164932 COc1ccc(c(c1OC)C)CNCC(C)O 270004a_100000210904_100000050322 [0,1,0,0,0,1|1,0,1]=4 2400 B17R1.164932 COc1ccc(c(c1OC)C)SCCC(=O)C 62a_100000053229_100010000156 [0,1,0,0,0,1|1,0,0]=3 2401 B17R1.164932 COc1ccc(c(c1OC)C)SCCC(=O)N 62a_100000744528_100010000156 [0,1,0,0,0,1|1,0,0]=3 2402 B17R1.164932 COc1ccc(c(c1OC)C)SCCC(C)O 62a_100012276601_100010000156 [0,1,0,0,0,1|1,0,1]=4 2403 B17R1.164932 COc1ccc(c(c1OC)C)SCOC(=O)C 62a_100000076356_100010000156 [0,1,0,0,0,1|2,0,0]=4 2404 B17R1.164932 COc1ccc(c(c1OC)Cl)CNCC(=O)N 2230a_100000711301_100011890039 [0,1,0,0,0,1|1,0,0]=3 2405 B17R1.164932 COc1ccc(c(c1OC)Cl)CNCC(=O)N 34a_102515433231_100000187820 [0,1,0,0,0,1|1,0,0]=3 2406 B17R1.164932 COc1ccc(c(c1OC)Cl)CNCC(=O)O 269956a_100016091260_100011890039 [0,1,0,0,0,1|0,0,0]=2 2407 B17R1.164932 COc1ccc(c(c1OC)Cl)CNCC(=O)[O-] 34a_102515433231_100020667443 [0,1,0,0,0,1|0,0,1]=3 2408 B17R1.164932 COc1ccc(c(c1OC)Cl)CNCC(C)O 207a_100000210904_100000033805 [0,1,0,0,0,1|1,0,1]=4 2409 B17R1.164932 COc1ccc(c(c1OC)Cl)CNCC(C)O 2230a_100000210904_100011890039 [0,1,0,0,0,1|1,0,1]=4 2410 B17R1.164932 COc1ccc(c(c1OC)Cl)CNCC(C)O 270004a_100000210904_100000033805 [0,1,0,0,0,1|1,0,1]=4 2411 B17R1.164932 COc1ccc(c(c1OC)Cl)CNCC(C)O 34a_102515433231_100011218427 [0,1,0,0,0,1|1,0,1]=4 2412 B17R1.164932 COc1ccc(c(c1OC)Cl)CNC[C@@H](C)O 34a_102515433231_100009817552 [0,1,0,0,0,1|1,0,1]=4 2413 B17R1.164932 COc1ccc(c(c1OC)Cl)CNC[N+](=O)[O-] 34a_102515433231_100000761209 [0,1,0,0,0,1|1,0,1]=4 2414 B17R1.164932 COc1ccc(c(c1OC)Cl)COCC(=O)N 34a_100011218542_100000187820 [0,1,0,0,0,1|1,0,0]=3 2415 B17R1.164932 COc1ccc(c(c1OC)Cl)COCC(=O)N 7a_100011218542_100000187820 [0,1,0,0,0,1|1,0,0]=3 2416 B17R1.164932 COc1ccc(c(c1OC)Cl)COCC(=O)[O-] 34a_100011218542_100020667443 [0,1,0,0,0,1|0,0,1]=3 2417 B17R1.164932 COc1ccc(c(c1OC)Cl)COCC(C)O 34a_100011218542_100011218427 [0,1,0,0,0,1|1,0,1]=4 2418 B17R1.164932 COc1ccc(c(c1OC)Cl)COCC(C)O 7a_100011218542_100011218427 [0,1,0,0,0,1|1,0,1]=4 2419 B17R1.164932 COc1ccc(c(c1OC)Cl)COC[C@@H](C)O 34a_100011218542_100009817552 [0,1,0,0,0,1|1,0,1]=4 2420 B17R1.164932 COc1ccc(c(c1OC)Cl)COC[C@@H](C)O 7a_100011218542_100009817552 [0,1,0,0,0,1|1,0,1]=4 2421 B17R1.164932 COc1ccc(c(c1OC)Cl)COC[N+](=O)[O-] 34a_100011218542_100000761209 [0,1,0,0,0,1|1,0,1]=4 2422 B17R1.164932 COc1ccc(c(c1OC)Cl)CSCC(=O)N 62a_100000747473_100011890039 [0,1,0,0,0,1|1,0,0]=3 2423 B17R1.164932 COc1ccc(c(c1OC)Cl)CSCC(=O)[O-] 62a_100020667443_100011890039 [0,1,0,0,0,1|0,0,1]=3 2424 B17R1.164932 COc1ccc(c(c1OC)Cl)CSCC(C)O 62a_100011218427_100011890039 [0,1,0,0,0,1|1,0,1]=4 2425 B17R1.164932 COc1ccc(c(c1OC)Cl)CSC[C@@H](C)O 62a_100009817552_100011890039 [0,1,0,0,0,1|1,0,1]=4 2426 B17R1.164932 COc1ccc(c(c1OC)F)CNCC(C)O 207a_100000210904_100009852382 [0,1,0,0,0,1|1,0,1]=4 2427 B17R1.164932 COc1ccc(c(c1OC)F)CNCC(C)O 270004a_100000210904_100009852382 [0,1,0,0,0,1|1,0,1]=4 2428 B17R1.164932 COc1ccc(c(c1OC)I)CNCC(C)O 207a_100000210904_100010191550 [0,1,0,0,0,1|1,0,1]=4 2429 B17R1.164932 COc1ccc(c(c1OC)I)CNCC(C)O 270004a_100000210904_100010191550 [0,1,0,0,0,1|1,0,1]=4 2430 B17R1.14649 COc1cc(cc(c1OC)Cl)C(=O)CC(=O)N 1458a_100000180162_100000187820 [0,2,0,0,0,0|1,0,1]=4 2431 B17R1.14649 COc1cc(cc(c1OC)Cl)C(=O)CC(=O)[O-] 1458a_100000180162_100020667443 [0,2,0,0,0,0|0,0,2]=4 2432 B17R1.14649 COc1cc(cc(c1OC)O)C(=O)CC(=O)N 1458a_100000032013_100000187820 [0,2,0,0,0,0|1,0,1]=4 2433 B17R1.14649 COc1cc(cc(c1OC)O)C(=O)CC(=O)[O-] 1458a_100000032013_100020667443 [0,2,0,0,0,0|0,0,2]=4 2434 B17R1.14651 C=CC(=O)NCc1cc(c(c(c1)OC)OC)Br 1626a_100000748475_100000185746 [0,2,0,0,0,0|2,0,0]=4 2435 B17R1.14651 C=CC(=O)NCc1cc(c(c(c1)OC)OC)Br 240690a_100000748475_200121576911 [0,2,0,0,0,0|2,0,0]=4 2436 B17R1.14651 CCC(=O)NCc1cc(c(c(c1)OC)OC)Br 11a_100000748475_100000210414 [0,2,0,0,0,0|2,0,0]=4 2437 B17R1.14651 CCC(=O)NCc1cc(c(c(c1)OC)OC)Br 1626a_100000748475_100000210414 [0,2,0,0,0,0|2,0,0]=4 2438 B17R1.14651 CCC(=O)NCc1cc(c(c(c1)OC)OC)Br 240690a_100000748475_100000210414 [0,2,0,0,0,0|2,0,0]=4 2439 B17R1.14651 CCC(=O)NCc1cc(c(c(c1)OC)OC)Br 527a_100000748475_100000210414 [0,2,0,0,0,0|2,0,0]=4 2440 B17R1.14651 CNC(=O)NCc1cc(c(c(c1)OC)OC)Br 2708a_100000748475_106832991635 [0,2,0,0,0,0|2,0,0]=4 2441 B17R1.14651 CNC(=O)NCc1cc(c(c(c1)OC)OC)Br 2708a_100102657272_100000748475 [0,2,0,0,0,0|2,0,0]=4 2442 B17R1.14651 CNC(=O)NCc1cc(c(c(c1)OC)OC)Br 273464a_100000748475_100102657272 [0,2,0,0,0,0|2,0,0]=4 2443 B17R1.14651 CNC(=O)NCc1cc(c(c(c1)OC)OC)Br 273464a_100102657272_100000748475 [0,2,0,0,0,0|2,0,0]=4 2444 B17R1.14651 CNC(=O)NCc1cc(c(c(c1)OC)OC)Br 512a_100000748475_100102657272 [0,2,0,0,0,0|2,0,0]=4 2445 B17R1.14651 CNC(=O)NCc1cc(c(c(c1)OC)OC)Br 512a_106832991638_100000748475 [0,2,0,0,0,0|2,0,0]=4 2446 B17R1.14651 COc1cc(cc(c1OC)Br)CNC(=O)CO 240690a_100000748475_100000210174 [0,2,0,0,0,0|1,0,0]=3 2447 B17R1.14651 COc1cc(cc(c1OC)Br)CNC(=O)CO 527a_100000748475_100000210174 [0,2,0,0,0,0|1,0,0]=3 2448 B17R1.14655 COc1cc(cc(c1OC)C#N)SCC(=O)N 62a_100000747473_200010153271 [0,2,0,0,0,0|2,0,0]=4 2449 B17R1.14655 COc1cc(cc(c1OC)C#N)SCC(=O)[O-] 62a_100020667443_200010153271 [0,2,0,0,0,0|1,0,1]=4 2450 B17R1.14655 COc1cc(cc(c1OC)OC)CCC(=O)C 1458a_100000261161_200000210301 [0,2,0,0,0,0|1,0,0]=3 2451 B17R1.14655 COc1cc(cc(c1OC)OC)CCC(=O)[13CH3] 1458a_100000261161_200025704644 [0,2,0,0,0,0|1,0,0]=3 2452 B17R1.14655 COc1cc(cc(c1OC)OC)CNC(=O)C 11a_100000198973_100015343762 [0,2,0,0,0,0|2,0,0]=4 2453 B17R1.14655 COc1cc(cc(c1OC)OC)CNC(=O)C 1626a_100000198973_100015343762 [0,2,0,0,0,0|2,0,0]=4 2454 B17R1.14655 COc1cc(cc(c1OC)OC)CNC(=O)C 240690a_100000198973_100015343762 [0,2,0,0,0,0|2,0,0]=4 2455 B17R1.14655 COc1cc(cc(c1OC)OC)CNC(=O)C 527a_100000198973_100103153847 [0,2,0,0,0,0|2,0,0]=4 2456 B17R1.14655 COc1cc(cc(c1OC)OC)NCC(=O)N 34a_100000209829_100000187820 [0,2,0,0,0,0|2,0,0]=4 2457 B17R1.14655 COc1cc(cc(c1OC)OC)NCC(=O)[O-] 34a_100000209829_100020667443 [0,2,0,0,0,0|1,0,1]=4 2458 B17R1.14655 COc1cc(cc(c1OC)OC)OCC(=O)N 34a_100000757337_100000187820 [0,2,0,0,0,0|2,0,0]=4 2459 B17R1.14655 COc1cc(cc(c1OC)OC)OCC(=O)[O-] 34a_100000757337_100020667443 [0,2,0,0,0,0|1,0,1]=4 2460 B17R1.4700 COC(=O)CNc1ccc(c(c1)C(C)C)OC 2230a_100025764739_100000747449 [0,2,0,0,0,0|2,0,0]=4 2461 B17R1.4700 COC(=O)CNc1ccc(c(c1)C(C)C)OC 34a_100025764739_100000747449 [0,2,0,0,0,0|2,0,0]=4 2462 B17R1.4700 COC(=O)COc1ccc(c(c1)C(=O)C)OC 34a_100000081070_100000747449 [0,2,0,0,0,0|2,0,0]=4 2463 B17R1.4700 COC(=O)COc1ccc(c(c1)C(=O)C)OC 7a_100000081070_100000747449 [0,2,0,0,0,0|2,0,0]=4 2464 B17R1.4700 COC(=O)CSc1ccc(c(c1)C(=O)C)OC 62a_100000173343_100000747449 [0,2,0,0,0,0|2,0,0]=4 2465 B17R1.4751 COC(=O)c1cc(ccc1OC)SCC(=O)N 62a_100000747473_100012047238 [0,2,0,0,0,0|2,0,0]=4 2466 B17R1.4751 COC(=O)c1cc(ccc1OC)SCC(=O)N 62a_100012047238_100000747473 [0,2,0,0,0,0|2,0,0]=4 2467 B17R1.4751 COC(=O)c1cc(ccc1OC)SCC(=O)[O-] 62a_100012047238_100020667443 [0,2,0,0,0,0|1,0,1]=4 2468 B17R1.4751 COC(=O)c1cc(ccc1OC)SCC(=O)[O-] 62a_100020667443_100012047238 [0,2,0,0,0,0|1,0,1]=4 2469 B17R1.4637 CCC(NC(=O)C)c1ccc(c(c1)OC)OC 11a_200000245900_100015343762 [0,2,0,0,0,0|2,0,0]=4 2470 B17R1.4637 CCC(NC(=O)C)c1ccc(c(c1)OC)OC 1626a_200000245900_100015343762 [0,2,0,0,0,0|2,0,0]=4 2471 B17R1.4637 CCC(NC(=O)C)c1ccc(c(c1)OC)OC 240690a_200000245900_100015343762 [0,2,0,0,0,0|2,0,0]=4 2472 B17R1.4637 CCC(NC(=O)C)c1ccc(c(c1)OC)OC 527a_200000245900_100103153847 [0,2,0,0,0,0|2,0,0]=4 2473 B17R1.4637 CCN(CC(=O)N)c1ccc(c(c1)OC)OC 2230a_100000221037_100000747473 [0,2,0,0,0,0|2,0,0]=4 2474 B17R1.4637 CCN(CC(=O)N)c1ccc(c(c1)OC)OC 269982a_100000221037_100000187820 [0,2,0,0,0,0|2,0,0]=4 2475 B17R1.4637 CCN(CC(=O)N)c1ccc(c(c1)OC)OC 34a_100000221037_100000187820 [0,2,0,0,0,0|2,0,0]=4 2476 B17R1.4637 CCN(CC(=O)[O-])c1ccc(c(c1)OC)OC 269982a_100000221037_100020667443 [0,2,0,0,0,0|1,0,1]=4 2477 B17R1.4637 CCN(CC(=O)[O-])c1ccc(c(c1)OC)OC 34a_100000221037_100020667443 [0,2,0,0,0,0|1,0,1]=4 2478 B17R1.4637 CNC(CC(=O)O)c1ccc(c(c1)OC)OC 269956a_100000183468_200000210301 [0,2,0,0,0,0|0,0,0]=2 2479 B17R1.4637 COc1ccc(cc1OC)C(CC(=O)O)N[13CH3] 269956a_100000183468_200025704644 [0,2,0,0,0,0|0,0,0]=2 2480 B17R1.4637 COc1ccc(cc1OC)[C@H](CO)NC(=O)C 240690a_100009818805_100015343762 [0,2,0,0,0,0|2,0,0]=4 2481 B17R1.4637 COc1ccc(cc1OC)[C@H](CO)NC(=O)C 527a_100009818805_100103153847 [0,2,0,0,0,0|2,0,0]=4 2482 B17R1.4641 COc1ccc(cc1OC)C(=O)C(C)C(=O)C 1458a_100000211223_100000179758 [0,2,0,0,0,0|1,0,1]=4 2483 B17R1.4641 COc1ccc(cc1OC)C(=O)C(C)C(=O)N 1458a_100000211223_100000702099 [0,2,0,0,0,0|1,0,1]=4 2484 B17R1.4641 COc1ccc(cc1OC)C(=O)C(F)C(=O)N 1458a_100000211223_100009813875 [0,2,0,0,0,0|1,0,1]=4 2485 B17R1.4641 COc1ccc(cc1OC)C(=O)C(F)C(=O)[O-] 1458a_100000211223_100020610796 [0,2,0,0,0,0|0,0,2]=4 2486 B17R1.8585 CCOc1ccc(cc1OC)C(=O)CC(=O)N 1458a_100000184834_100000187820 [0,2,0,0,0,0|1,0,1]=4 2487 B17R1.8585 CCOc1ccc(cc1OC)C(=O)CC(=O)[O-] 1458a_100000184834_100020667443 [0,2,0,0,0,0|0,0,2]=4 2488 B17R1.16978 CCOc1cc(ccc1OC)C(=O)CC(=O)N 1458a_100000181421_100000187820 [0,2,0,0,0,0|1,0,1]=4 2489 B17R1.16978 CCOc1cc(ccc1OC)C(=O)CC(=O)[O-] 1458a_100000181421_100020667443 [0,2,0,0,0,0|0,0,2]=4 2490 B17R1.28858 COc1cc(c(cc1OC)C(=O)CC(=O)N)Br 1458a_100011217046_100000187820 [0,2,0,0,0,0|1,0,1]=4 2491 B17R1.28858 COc1cc(c(cc1OC)C(=O)CC(=O)N)C 1458a_100000765401_100000187820 [0,2,0,0,0,0|1,0,1]=4 2492 B17R1.28858 COc1cc(c(cc1OC)C(=O)CC(=O)N)Cl 1458a_100000692841_100000187820 [0,2,0,0,0,0|1,0,1]=4 2493 B17R1.28858 COc1cc(c(cc1OC)C(=O)CC(=O)N)F 1458a_100000687845_100000187820 [0,2,0,0,0,0|1,0,1]=4 2494 B17R1.28858 COc1cc(c(cc1OC)C(=O)CC(=O)N)I 1458a_100000749224_100000187820 [0,2,0,0,0,0|1,0,1]=4 2495 B17R1.28858 COc1cc(c(cc1OC)C(=O)CC(=O)N)O 1458a_100012177203_100000187820 [0,2,0,0,0,0|1,0,1]=4 2496 B17R1.28858 COc1cc(c(cc1OC)C(=O)CC(=O)[O-])Br 1458a_100011217046_100020667443 [0,2,0,0,0,0|0,0,2]=4 2497 B17R1.28858 COc1cc(c(cc1OC)C(=O)CC(=O)[O-])C 1458a_100000765401_100020667443 [0,2,0,0,0,0|0,0,2]=4 2498 B17R1.28858 COc1cc(c(cc1OC)C(=O)CC(=O)[O-])Cl 1458a_100000692841_100020667443 [0,2,0,0,0,0|0,0,2]=4 2499 B17R1.28858 COc1cc(c(cc1OC)C(=O)CC(=O)[O-])F 1458a_100000687845_100020667443 [0,2,0,0,0,0|0,0,2]=4 2500 B17R1.28858 COc1cc(c(cc1OC)C(=O)CC(=O)[O-])I 1458a_100000749224_100020667443 [0,2,0,0,0,0|0,0,2]=4 2501 B17R1.28858 COc1cc(c(cc1OC)C(=O)CC(=O)[O-])O 1458a_100012177203_100020667443 [0,2,0,0,0,0|0,0,2]=4 2502 B17R1.48012 C#CC(=O)CC(=O)c1ccc(c(c1)OC)OC 1458a_100000211873_100000184214 [0,2,0,0,0,0|1,0,1]=4 2503 B17R1.48012 C=CC(=O)CC(=O)c1ccc(c(c1)OC)OC 1458a_100000185746_100000184214 [0,2,0,0,0,0|1,0,1]=4 2504 B17R1.48012 C=CC(=O)N[C@H](C)c1ccc(c(c1)OC)OC 1626a_100025717294_100000185746 [0,2,0,0,0,0|2,0,0]=4 2505 B17R1.48012 C=CC(=O)N[C@H](C)c1ccc(c(c1)OC)OC 240690a_100025717294_200121576911 [0,2,0,0,0,0|2,0,0]=4 2506 B17R1.48012 CCC(=O)CC(=O)c1ccc(c(c1)OC)OC 1458a_100000210414_100000184214 [0,2,0,0,0,0|1,0,1]=4 2507 B17R1.48012 CCC(=O)CC(=O)c1ccc(c(c1)OC)OC 1458a_100000211223_100000747405 [0,2,0,0,0,0|1,0,1]=4 2508 B17R1.48012 CCC(=O)N[C@H](C)c1ccc(c(c1)OC)OC 11a_100025717294_100000210414 [0,2,0,0,0,0|2,0,0]=4 2509 B17R1.48012 CCC(=O)N[C@H](C)c1ccc(c(c1)OC)OC 1626a_100025717294_100000210414 [0,2,0,0,0,0|2,0,0]=4 2510 B17R1.48012 CCC(=O)N[C@H](C)c1ccc(c(c1)OC)OC 240690a_100025717294_100000210414 [0,2,0,0,0,0|2,0,0]=4 2511 B17R1.48012 CCC(=O)N[C@H](C)c1ccc(c(c1)OC)OC 527a_100025717294_100000210414 [0,2,0,0,0,0|2,0,0]=4 2512 B17R1.48012 CNC(=O)CC(=O)c1ccc(c(c1)OC)OC 1458a_100000211223_100000183359 [0,2,0,0,0,0|1,0,1]=4 2513 B17R1.48012 CNC(=O)N[C@H](C)c1ccc(c(c1)OC)OC 2708a_100102657272_100025717294 [0,2,0,0,0,0|2,0,0]=4 2514 B17R1.48012 CNC(=O)N[C@H](C)c1ccc(c(c1)OC)OC 273464a_100025717294_100102657272 [0,2,0,0,0,0|2,0,0]=4 2515 B17R1.48012 CNC(=O)N[C@H](C)c1ccc(c(c1)OC)OC 273464a_100102657272_100025717294 [0,2,0,0,0,0|2,0,0]=4 2516 B17R1.48012 CNC(=O)N[C@H](C)c1ccc(c(c1)OC)OC 512a_100025717294_100102657272 [0,2,0,0,0,0|2,0,0]=4 2517 B17R1.48012 CNC(=O)N[C@H](C)c1ccc(c(c1)OC)OC 512a_106832991638_100025717294 [0,2,0,0,0,0|2,0,0]=4 2518 B17R1.48012 COC(=O)CC(=O)c1ccc(c(c1)OC)OC 1458a_100000211223_100000747449 [0,2,0,0,0,0|0,0,1]=3 2519 B17R1.48012 COc1ccc(cc1OC)C(=O)CC(=O)CO 1458a_100000210174_100000184214 [0,2,0,0,0,0|0,0,1]=3 2520 B17R1.48012 COc1ccc(cc1OC)[C@@H](C)NC(=O)CO 240690a_100025717294_100000210174 [0,2,0,0,0,0|1,0,0]=3 2521 B17R1.48012 COc1ccc(cc1OC)[C@@H](C)NC(=O)CO 527a_100025717294_100000210174 [0,2,0,0,0,0|1,0,0]=3 2522 B17R1.48213 COc1ccc(c(c1OC)Br)C(=O)CC(=O)N 1458a_100010284110_100000187820 [0,2,0,0,0,0|1,0,1]=4 2523 B17R1.48213 COc1ccc(c(c1OC)Br)C(=O)CC(=O)[O-] 1458a_100010284110_100020667443 [0,2,0,0,0,0|0,0,2]=4 2524 B17R1.48213 COc1ccc(c(c1OC)C)C(=O)CC(=O)N 1458a_100000092638_100000187820 [0,2,0,0,0,0|1,0,1]=4 2525 B17R1.48213 COc1ccc(c(c1OC)C)C(=O)CC(=O)[O-] 1458a_100000092638_100020667443 [0,2,0,0,0,0|0,0,2]=4 2526 B17R1.48213 COc1ccc(c(c1OC)Cl)C(=O)CC(=O)N 1458a_100011216413_100000187820 [0,2,0,0,0,0|1,0,1]=4 2527 B17R1.48213 COc1ccc(c(c1OC)Cl)C(=O)CC(=O)[O-] 1458a_100011216413_100020667443 [0,2,0,0,0,0|0,0,2]=4 2528 B17R1.4638 C=CC(=O)N(C)Cc1ccc(c(c1)OC)OC 1626a_100000180827_100000185746 [0,2,0,0,0,0|2,0,0]=4 2529 B17R1.4638 C=CC(=O)N(C)Cc1ccc(c(c1)OC)OC 240690a_100000180827_200121576911 [0,2,0,0,0,0|2,0,0]=4 2530 B17R1.4638 CCC(=O)C(C)Sc1ccc(c(c1)OC)OC 62a_100000742827_100011356967 [0,2,0,0,0,0|2,0,0]=4 2531 B17R1.4638 CCC(=O)N(C)Cc1ccc(c(c1)OC)OC 1626a_100000180827_100000210414 [0,2,0,0,0,0|2,0,0]=4 2532 B17R1.4638 CCC(=O)N(C)Cc1ccc(c(c1)OC)OC 240690a_100000180827_100000210414 [0,2,0,0,0,0|2,0,0]=4 2533 B17R1.4638 CCC(=O)N(C)Cc1ccc(c(c1)OC)OC 527a_100000180827_100000210414 [0,2,0,0,0,0|2,0,0]=4 2534 B17R1.4638 CCc1cc(ccc1OC)SC(C)C(=O)OC 62a_100000211248_200010179862 [0,2,0,0,0,0|2,0,0]=4 2535 B17R1.4638 CCc1cc(ccc1OC)SC(C)C(=O)OC 62a_200010179862_100000211248 [0,2,0,0,0,0|2,0,0]=4 2536 B17R1.4638 CCc1ccc(cc1OC)SC(C)C(=O)OC 62a_100000211248_200010710398 [0,2,0,0,0,0|2,0,0]=4 2537 B17R1.4638 CCc1ccc(cc1OC)SC(C)C(=O)OC 62a_200010710398_100000211248 [0,2,0,0,0,0|2,0,0]=4 2538 B17R1.4638 CNC(=O)C(C)Nc1ccc(c(c1)OC)OC 34a_100000187404_100000731044 [0,2,0,0,0,0|2,0,0]=4 2539 B17R1.4638 CNC(=O)C(C)Oc1ccc(c(c1)OC)OC 34a_100000039706_100000731044 [0,2,0,0,0,0|2,0,0]=4 2540 B17R1.4638 CNC(=O)C(C)Sc1ccc(c(c1)OC)OC 62a_100000209862_100011356967 [0,2,0,0,0,0|2,0,0]=4 2541 B17R1.4638 CNC(=O)C(F)Nc1ccc(c(c1)OC)OC 34a_100000187404_100009813575 [0,2,0,0,0,0|2,0,0]=4 2542 B17R1.4638 CNC(=O)C(F)Oc1ccc(c(c1)OC)OC 34a_100000039706_100009813575 [0,2,0,0,0,0|2,0,0]=4 2543 B17R1.4638 CNC(=O)C(F)Sc1ccc(c(c1)OC)OC 62a_100009813575_100011356967 [0,2,0,0,0,0|2,0,0]=4 2544 B17R1.4638 CNC(=O)N(C)Cc1ccc(c(c1)OC)OC 2708a_100102657272_100000180827 [0,2,0,0,0,0|2,0,0]=4 2545 B17R1.4638 CNC(=O)N(C)Cc1ccc(c(c1)OC)OC 273464a_100102657272_100000180827 [0,2,0,0,0,0|2,0,0]=4 2546 B17R1.4638 COC(=O)C(=O)Nc1ccc(c(c1)OC)OC 11a_100000187404_100000024059 [0,2,0,0,0,0|1,0,1]=4 2547 B17R1.4638 COC(=O)C(=O)Nc1ccc(c(c1)OC)OC 1626a_100000187404_100000024059 [0,2,0,0,0,0|1,0,1]=4 2548 B17R1.4638 COC(=O)C(=O)Nc1ccc(c(c1)OC)OC 527a_100000187404_100000024059 [0,2,0,0,0,0|1,0,1]=4 2549 B17R1.4638 COC(=O)C(C)Nc1ccc(c(c1)OC)OC 34a_100000187404_100000211248 [0,2,0,0,0,0|1,0,0]=3 2550 B17R1.4638 COC(=O)C(C)Oc1ccc(c(c1)OC)OC 34a_100000039706_100000211248 [0,2,0,0,0,0|1,0,0]=3 2551 B17R1.4638 COC(=O)C(C)Sc1ccc(c(c1)OC)OC 62a_100000211248_100011356967 [0,2,0,0,0,0|1,0,0]=3 2552 B17R1.4638 COC(=O)C(C)Sc1ccc(c(c1)OC)SC 62a_200011001119_100000211248 [0,2,0,0,0,0|1,1,0]=4 2553 B17R1.4638 COC(=O)C(C)Sc1ccc(c(c1)SC)OC 62a_200009892704_100000211248 [0,2,0,0,0,0|1,1,0]=4 2554 B17R1.4638 COC(=O)C(C)Sc1ccc(c(n1)OC)OC 62a_100000211248_100010214848 [0,2,0,0,0,0|2,0,0]=4 2555 B17R1.4638 COC(=O)C(C)Sc1cnc(c(c1)OC)OC 62a_100000211248_100010234541 [0,2,0,0,0,0|2,0,0]=4 2556 B17R1.4638 COc1ccc(cc1OC)CN(C)C(=O)CO 240690a_100000180827_100000210174 [0,2,0,0,0,0|1,0,0]=3 2557 B17R1.4638 COc1ccc(cc1OC)CN(C)C(=O)CO 527a_100000180827_100000210174 [0,2,0,0,0,0|1,0,0]=3 2558 B17R1.8586 CCOc1ccc(cc1OC)CN(C)C(=O)C 11a_100025772790_100015343762 [0,2,0,0,0,0|2,0,0]=4 2559 B17R1.8586 CCOc1ccc(cc1OC)CN(C)C(=O)C 1626a_100025772790_100015343762 [0,2,0,0,0,0|2,0,0]=4 2560 B17R1.8586 CCOc1ccc(cc1OC)CN(C)C(=O)C 240690a_100025772790_100015343762 [0,2,0,0,0,0|2,0,0]=4 2561 B17R1.8586 CCOc1ccc(cc1OC)CN(C)C(=O)C 527a_100025772790_100103153847 [0,2,0,0,0,0|2,0,0]=4 2562 B17R1.8586 CCOc1ccc(cc1OC)NC(C)C(=O)C 2230a_100000184985_100009814033 [0,2,0,0,0,0|2,0,0]=4 2563 B17R1.8586 CCOc1ccc(cc1OC)NC(C)C(=O)N 2230a_100000184985_100000702099 [0,2,0,0,0,0|2,0,0]=4 2564 B17R1.8586 CCOc1ccc(cc1OC)NC(C)C(=O)N 34a_100000184985_100000702099 [0,2,0,0,0,0|2,0,0]=4 2565 B17R1.8586 CCOc1ccc(cc1OC)NC(F)C(=O)N 2230a_100000184985_100009813875 [0,2,0,0,0,0|2,0,0]=4 2566 B17R1.8586 CCOc1ccc(cc1OC)NC(F)C(=O)N 34a_100000184985_100009813875 [0,2,0,0,0,0|2,0,0]=4 2567 B17R1.8586 CCOc1ccc(cc1OC)NC(F)C(=O)[O-] 34a_100000184985_100020610796 [0,2,0,0,0,0|1,0,1]=4 2568 B17R1.16979 CCOc1cc(ccc1OC)CN(C)C(=O)C 11a_100015183996_100015343762 [0,2,0,0,0,0|2,0,0]=4 2569 B17R1.16979 CCOc1cc(ccc1OC)CN(C)C(=O)C 1626a_100015183996_100015343762 [0,2,0,0,0,0|2,0,0]=4 2570 B17R1.16979 CCOc1cc(ccc1OC)CN(C)C(=O)C 240690a_100015183996_100015343762 [0,2,0,0,0,0|2,0,0]=4 2571 B17R1.16979 CCOc1cc(ccc1OC)CN(C)C(=O)C 527a_100015183996_100103153847 [0,2,0,0,0,0|2,0,0]=4 2572 B17R1.16979 COCc1cc(ccc1OC)SC(C)C(=O)C 62a_100009814033_200011493686 [0,2,0,0,0,0|2,0,0]=4 2573 B17R1.16979 COCc1cc(ccc1OC)SC(C)C(=O)C 62a_200011493686_100009814033 [0,2,0,0,0,0|2,0,0]=4 2574 B17R1.16979 COCc1cc(ccc1OC)SC(C)C(=O)N 62a_100000702099_200011493686 [0,2,0,0,0,0|2,0,0]=4 2575 B17R1.16979 COCc1cc(ccc1OC)SC(C)C(=O)N 62a_200011493686_100000702099 [0,2,0,0,0,0|2,0,0]=4 2576 B17R1.16979 COCc1cc(ccc1OC)SC(F)C(=O)N 62a_100009813875_200011493686 [0,2,0,0,0,0|2,0,0]=4 2577 B17R1.16979 COCc1cc(ccc1OC)SC(F)C(=O)N 62a_200011493686_100009813875 [0,2,0,0,0,0|2,0,0]=4 2578 B17R1.16979 COCc1cc(ccc1OC)SC(F)C(=O)[O-] 62a_100020610796_200011493686 [0,2,0,0,0,0|1,0,1]=4 2579 B17R1.16979 COCc1cc(ccc1OC)SC(F)C(=O)[O-] 62a_200011493686_100020610796 [0,2,0,0,0,0|1,0,1]=4 2580 B17R1.28753 COc1cc(c(cc1OC)NC(C)C(=O)N)C 34a_100000183460_100000702099 [0,2,0,0,0,0|2,0,0]=4 2581 B17R1.28753 COc1cc(c(cc1OC)NC(C)C(=O)N)F 34a_100000753170_100000702099 [0,2,0,0,0,0|2,0,0]=4 2582 B17R1.28753 COc1cc(c(cc1OC)NC(F)C(=O)N)C 34a_100000183460_100009813875 [0,2,0,0,0,0|2,0,0]=4 2583 B17R1.28753 COc1cc(c(cc1OC)NC(F)C(=O)N)F 34a_100000753170_100009813875 [0,2,0,0,0,0|2,0,0]=4 2584 B17R1.28753 COc1cc(c(cc1OC)NC(F)C(=O)[O-])C 34a_100000183460_100020610796 [0,2,0,0,0,0|1,0,1]=4 2585 B17R1.28753 COc1cc(c(cc1OC)NC(F)C(=O)[O-])F 34a_100000753170_100020610796 [0,2,0,0,0,0|1,0,1]=4 2586 B17R1.28753 COc1cc(c(cc1OC)SC(C)C(=O)C)F 62a_200011765842_100009814033 [0,2,0,0,0,0|2,0,0]=4 2587 B17R1.28753 COc1cc(c(cc1OC)SC(C)C(=O)N)F 62a_200011765842_100000702099 [0,2,0,0,0,0|2,0,0]=4 2588 B17R1.28753 COc1cc(c(cc1OC)SC(F)C(=O)N)F 62a_200011765842_100009813875 [0,2,0,0,0,0|2,0,0]=4 2589 B17R1.28753 COc1cc(c(cc1OC)SC(F)C(=O)[O-])F 62a_200011765842_100020610796 [0,2,0,0,0,0|1,0,1]=4 2590 B17R1.37672 COc1ccc(cc1OC)NC(C)(C)C(=O)N 34a_100000187404_100000702505 [0,2,0,0,0,0|2,0,0]=4 2591 B17R1.37672 COc1ccc(cc1OC)NC(F)(F)C(=O)[O-] 34a_100000187404_100020612412 [0,2,0,0,0,0|1,0,1]=4 2592 B17R1.37672 COc1ccc(cc1OC)OC(C)(C)C(=O)N 34a_100000039706_100000702505 [0,2,0,0,0,0|2,0,0]=4 2593 B17R1.37672 COc1ccc(cc1OC)OC(F)(F)C(=O)[O-] 34a_100000039706_100020612412 [0,2,0,0,0,0|1,0,1]=4 2594 B17R1.37672 COc1ccc(cc1OC)SC(C)(C)C(=O)C 62a_100000075568_100011356967 [0,2,0,0,0,0|2,0,0]=4 2595 B17R1.37672 COc1ccc(cc1OC)SC(C)(C)C(=O)N 62a_100000702505_100011356967 [0,2,0,0,0,0|2,0,0]=4 2596 B17R1.37672 COc1ccc(cc1OC)SC(F)(F)C(=O)N 62a_100009811971_100011356967 [0,2,0,0,0,0|2,0,0]=4 2597 B17R1.37672 COc1ccc(cc1OC)SC(F)(F)C(=O)[O-] 62a_100000745680_100011356967 [0,2,0,0,0,0|1,0,1]=4 2598 B17R1.47979 CCC(Nc1ccc(c(c1)OC)OC)C(=O)N 34a_100000187404_100000750255 [0,2,0,0,0,0|2,0,0]=4 2599 B17R1.47979 CCC(Oc1ccc(c(c1)OC)OC)C(=O)N 34a_100000039706_100000750255 [0,2,0,0,0,0|2,0,0]=4 2600 B17R1.47979 CCC(Sc1ccc(c(c1)OC)OC)C(=O)N 62a_100000750255_100011356967 [0,2,0,0,0,0|2,0,0]=4 2601 B17R1.47979 CNC(Cc1ccc(c(c1)OC)OC)C(=O)O 269956a_106741647118_200000210301 [0,2,0,0,0,0|0,0,0]=2 2602 B17R1.47979 COc1ccc(cc1OC)CC(N[13CH3])C(=O)O 269956a_106741647118_200025704644 [0,2,0,0,0,0|0,0,0]=2 2603 B17R1.48214 COc1ccc(c(c1OC)C)SC(C)C(=O)C 62a_100009814033_100010000156 [0,2,0,0,0,0|2,0,0]=4 2604 B17R1.48214 COc1ccc(c(c1OC)C)SC(C)C(=O)N 62a_100000702099_100010000156 [0,2,0,0,0,0|2,0,0]=4 2605 B17R1.48214 COc1ccc(c(c1OC)C)SC(F)C(=O)N 62a_100009813875_100010000156 [0,2,0,0,0,0|2,0,0]=4 2606 B17R1.48214 COc1ccc(c(c1OC)C)SC(F)C(=O)[O-] 62a_100020610796_100010000156 [0,2,0,0,0,0|1,0,1]=4 2607 B17R1.4860 C#CCC(=O)CCc1ccc(c(c1)OC)OC 1458a_100000187252_100000184674 [0,2,0,0,0,0|1,0,0]=3 2608 B17R1.4860 C#CCC(=O)CCc1ccc(c(c1)OC)OC 1458a_100011220946_100011740610 [0,2,0,0,0,0|1,0,0]=3 2609 B17R1.4860 C#CCC(=O)NCc1ccc(c(c1)OC)OC 1626a_100000185555_100011220946 [0,2,0,0,0,0|2,0,0]=4 2610 B17R1.4860 C#CCC(=O)NCc1ccc(c(c1)OC)OC 527a_100000185555_100011220946 [0,2,0,0,0,0|2,0,0]=4 2611 B17R1.4860 C=CCC(=O)CCc1ccc(c(c1)OC)OC 1458a_100000187252_100000210623 [0,2,0,0,0,0|1,0,0]=3 2612 B17R1.4860 C=CCC(=O)CCc1ccc(c(c1)OC)OC 1458a_100000210193_100011740610 [0,2,0,0,0,0|1,0,0]=3 2613 B17R1.4860 C=CCC(=O)NCc1ccc(c(c1)OC)OC 11a_100000185555_100000210193 [0,2,0,0,0,0|2,0,0]=4 2614 B17R1.4860 C=CCC(=O)NCc1ccc(c(c1)OC)OC 1626a_100000185555_100000210193 [0,2,0,0,0,0|2,0,0]=4 2615 B17R1.4860 C=CCC(=O)NCc1ccc(c(c1)OC)OC 240690a_100000185555_100000210193 [0,2,0,0,0,0|2,0,0]=4 2616 B17R1.4860 C=CCC(=O)NCc1ccc(c(c1)OC)OC 527a_100000185555_100000210193 [0,2,0,0,0,0|2,0,0]=4 2617 B17R1.4860 C=COC(=O)CNc1ccc(c(c1)OC)OC 34a_100000187404_100000036128 [0,2,0,0,0,0|1,0,0]=3 2618 B17R1.4860 C=COC(=O)COc1ccc(c(c1)OC)OC 34a_100000039706_100000036128 [0,2,0,0,0,0|1,0,0]=3 2619 B17R1.4860 C=COC(=O)CSc1ccc(c(c1)CC)OC 62a_100000036128_200010179862 [0,2,0,0,0,0|2,0,0]=4 2620 B17R1.4860 C=COC(=O)CSc1ccc(c(c1)CC)OC 62a_200010179862_100000036128 [0,2,0,0,0,0|2,0,0]=4 2621 B17R1.4860 C=COC(=O)CSc1ccc(c(c1)OC)CC 62a_100000036128_200010710398 [0,2,0,0,0,0|2,0,0]=4 2622 B17R1.4860 C=COC(=O)CSc1ccc(c(c1)OC)CC 62a_200010710398_100000036128 [0,2,0,0,0,0|2,0,0]=4 2623 B17R1.4860 C=COC(=O)CSc1ccc(c(c1)OC)OC 62a_100000036128_100011356967 [0,2,0,0,0,0|1,0,0]=3 2624 B17R1.4860 C=COC(=O)CSc1ccc(c(c1)OC)SC 62a_200011001119_100000036128 [0,2,0,0,0,0|1,1,0]=4 2625 B17R1.4860 C=COC(=O)CSc1ccc(c(c1)SC)OC 62a_200009892704_100000036128 [0,2,0,0,0,0|1,1,0]=4 2626 B17R1.4860 C=COC(=O)CSc1ccc(c(n1)OC)OC 62a_100000036128_100010214848 [0,2,0,0,0,0|2,0,0]=4 2627 B17R1.4860 C=COC(=O)CSc1cnc(c(c1)OC)OC 62a_100000036128_100010234541 [0,2,0,0,0,0|2,0,0]=4 2628 B17R1.4860 CC#CC(=O)CCc1ccc(c(c1)OC)OC 1458a_100000763181_100011740610 [0,2,0,0,0,0|1,0,0]=3 2629 B17R1.4860 CC=CC(=O)CCc1ccc(c(c1)OC)OC 1458a_100000210699_100011740610 [0,2,0,0,0,0|1,0,0]=3 2630 B17R1.4860 CC=CC(=O)NCc1ccc(c(c1)OC)OC 11a_100000185555_100000210699 [0,2,0,0,0,0|2,0,0]=4 2631 B17R1.4860 CC=CC(=O)NCc1ccc(c(c1)OC)OC 1626a_100000185555_100000210699 [0,2,0,0,0,0|2,0,0]=4 2632 B17R1.4860 CC=CC(=O)NCc1ccc(c(c1)OC)OC 240690a_100000185555_100000210699 [0,2,0,0,0,0|2,0,0]=4 2633 B17R1.4860 CCCC(=O)CCc1ccc(c(c1)OC)OC 1458a_100000187252_100000210303 [0,2,0,0,0,0|1,0,0]=3 2634 B17R1.4860 CCCC(=O)CCc1ccc(c(c1)OC)OC 1458a_100000211992_100011740610 [0,2,0,0,0,0|1,0,0]=3 2635 B17R1.4860 CCCC(=O)CSc1ccc(c(c1)OC)OC 62a_100000747444_100011356967 [0,2,0,0,0,0|2,0,0]=4 2636 B17R1.4860 CCCC(=O)NCc1ccc(c(c1)OC)OC 11a_100000185555_100000211992 [0,2,0,0,0,0|2,0,0]=4 2637 B17R1.4860 CCCC(=O)NCc1ccc(c(c1)OC)OC 1626a_100000185555_100000211992 [0,2,0,0,0,0|2,0,0]=4 2638 B17R1.4860 CCCC(=O)NCc1ccc(c(c1)OC)OC 240690a_100000185555_100000211992 [0,2,0,0,0,0|2,0,0]=4 2639 B17R1.4860 CCCC(=O)NCc1ccc(c(c1)OC)OC 527a_100000185555_100000211992 [0,2,0,0,0,0|2,0,0]=4 2640 B17R1.4860 CCNC(=O)CCc1ccc(c(c1)OC)OC 11a_100015525214_100000187252 [0,2,0,0,0,0|1,0,0]=3 2641 B17R1.4860 CCNC(=O)CCc1ccc(c(c1)OC)OC 240690a_100015525214_100000187252 [0,2,0,0,0,0|1,0,0]=3 2642 B17R1.4860 CCNC(=O)CCc1ccc(c(c1)OC)OC 527a_100015525214_100000187252 [0,2,0,0,0,0|1,0,0]=3 2643 B17R1.4860 CCNC(=O)CNc1ccc(c(c1)OC)OC 34a_100000187404_100000183381 [0,2,0,0,0,0|2,0,0]=4 2644 B17R1.4860 CCNC(=O)COc1ccc(c(c1)OC)OC 34a_100000039706_100000183381 [0,2,0,0,0,0|2,0,0]=4 2645 B17R1.4860 CCNC(=O)CSc1ccc(c(c1)OC)OC 62a_100000183381_100011356967 [0,2,0,0,0,0|2,0,0]=4 2646 B17R1.4860 CCNC(=O)NCc1ccc(c(c1)OC)OC 2708a_100000185555_100015525214 [0,2,0,0,0,0|2,0,0]=4 2647 B17R1.4860 CCNC(=O)NCc1ccc(c(c1)OC)OC 2708a_100015525214_100000185555 [0,2,0,0,0,0|2,0,0]=4 2648 B17R1.4860 CCNC(=O)NCc1ccc(c(c1)OC)OC 273464a_100000185555_100015525214 [0,2,0,0,0,0|2,0,0]=4 2649 B17R1.4860 CCNC(=O)NCc1ccc(c(c1)OC)OC 273464a_100015525214_100000185555 [0,2,0,0,0,0|2,0,0]=4 2650 B17R1.4860 CCNC(=O)NCc1ccc(c(c1)OC)OC 512a_100000185555_100015525214 [0,2,0,0,0,0|2,0,0]=4 2651 B17R1.4860 CCNC(=O)NCc1ccc(c(c1)OC)OC 512a_100015525214_100000185555 [0,2,0,0,0,0|2,0,0]=4 2652 B17R1.4860 CCOC(=O)C=Cc1ccc(c(c1)OC)OC 271570a_100010199719_100000187503 [0,2,0,0,0,0|0,0,2]=4 2653 B17R1.4860 CCOC(=O)CCc1ccc(c(c1)OC)OC 34a_200000061255_200000210301 [0,2,0,0,0,0|0,0,0]=2 2654 B17R1.4860 CCOC(=O)CCc1ccc(c(c1)OC)OC 7a_200000061255_200000210301 [0,2,0,0,0,0|0,0,0]=2 2655 B17R1.4860 CCOC(=O)CCc1ccc(c(c1)OC)O[13CH3] 34a_200000061255_200025704644 [0,2,0,0,0,0|0,0,0]=2 2656 B17R1.4860 CCOC(=O)CCc1ccc(c(c1)OC)O[13CH3] 7a_200000061255_200025704644 [0,2,0,0,0,0|0,0,0]=2 2657 B17R1.4860 CCOC(=O)CNc1ccc(c(c1)OC)OC 34a_100000187404_100000188475 [0,2,0,0,0,0|1,0,0]=3 2658 B17R1.4860 CCOC(=O)COc1ccc(c(c1)OC)OC 34a_100000039706_100000188475 [0,2,0,0,0,0|1,0,0]=3 2659 B17R1.4860 CCOC(=O)CSc1ccc(c(c1)CC)OC 62a_100000188475_200010179862 [0,2,0,0,0,0|2,0,0]=4 2660 B17R1.4860 CCOC(=O)CSc1ccc(c(c1)CC)OC 62a_200010179862_100000188475 [0,2,0,0,0,0|2,0,0]=4 2661 B17R1.4860 CCOC(=O)CSc1ccc(c(c1)OC)CC 62a_100000188475_200010710398 [0,2,0,0,0,0|2,0,0]=4 2662 B17R1.4860 CCOC(=O)CSc1ccc(c(c1)OC)CC 62a_200010710398_100000188475 [0,2,0,0,0,0|2,0,0]=4 2663 B17R1.4860 CCOC(=O)CSc1ccc(c(c1)OC)OC 62a_100000188475_100011356967 [0,2,0,0,0,0|1,0,0]=3 2664 B17R1.4860 CCOC(=O)CSc1ccc(c(c1)OC)SC 62a_200011001119_100000188475 [0,2,0,0,0,0|1,1,0]=4 2665 B17R1.4860 CCOC(=O)CSc1ccc(c(c1)SC)OC 62a_200009892704_100000188475 [0,2,0,0,0,0|1,1,0]=4 2666 B17R1.4860 CCOC(=O)CSc1ccc(c(n1)OC)OC 62a_100000188475_100010214848 [0,2,0,0,0,0|2,0,0]=4 2667 B17R1.4860 CCOC(=O)CSc1cnc(c(c1)OC)OC 62a_100000188475_100010234541 [0,2,0,0,0,0|2,0,0]=4 2668 B17R1.4860 CCc1cc(ccc1OC)SCC(=O)NCO 62a_100000185155_200010179862 [0,2,0,0,0,0|2,0,0]=4 2669 B17R1.4860 CCc1cc(ccc1OC)SCC(=O)NCO 62a_200010179862_100000185155 [0,2,0,0,0,0|2,0,0]=4 2670 B17R1.4860 CCc1ccc(cc1OC)SCC(=O)NCO 62a_100000185155_200010710398 [0,2,0,0,0,0|2,0,0]=4 2671 B17R1.4860 CCc1ccc(cc1OC)SCC(=O)NCO 62a_200010710398_100000185155 [0,2,0,0,0,0|2,0,0]=4 2672 B17R1.4860 CNCC(=O)NCc1ccc(c(c1)OC)OC 2230a_106832991635_100000183369 [0,2,0,0,0,0|2,0,0]=4 2673 B17R1.4860 CNCC(=O)NCc1ccc(c(c1)OC)OC 34a_100102657272_100000183369 [0,2,0,0,0,0|2,0,0]=4 2674 B17R1.4860 CNCC(=O)NCc1ccc(c(c1)OC)OC 7a_106832991635_100000183369 [0,2,0,0,0,0|2,0,0]=4 2675 B17R1.4860 CNNC(=O)CCc1ccc(c(c1)OC)OC 22a_100016993582_100000187252 [0,2,0,0,0,0|1,0,0]=3 2676 B17R1.4860 CNNC(=O)NCc1ccc(c(c1)OC)OC 273464a_100000185555_100016993582 [0,2,0,0,0,0|2,0,0]=4 2677 B17R1.4860 CNNC(=O)NCc1ccc(c(c1)OC)OC 512a_100000185555_100016993582 [0,2,0,0,0,0|2,0,0]=4 2678 B17R1.4860 CNNC(=O)NCc1ccc(c(c1)OC)OC 512a_100016993582_100000185555 [0,2,0,0,0,0|2,0,0]=4 2679 B17R1.4860 COCC(=O)CCc1ccc(c(c1)OC)OC 1458a_100000210968_100011740610 [0,2,0,0,0,0|0,0,0]=2 2680 B17R1.4860 COCC(=O)NCc1ccc(c(c1)OC)OC 11a_100000185555_100000210968 [0,2,0,0,0,0|1,0,0]=3 2681 B17R1.4860 COCC(=O)NCc1ccc(c(c1)OC)OC 1626a_100000185555_100000210968 [0,2,0,0,0,0|1,0,0]=3 2682 B17R1.4860 COCC(=O)NCc1ccc(c(c1)OC)OC 240690a_100000185555_100000210968 [0,2,0,0,0,0|1,0,0]=3 2683 B17R1.4860 COCC(=O)NCc1ccc(c(c1)OC)OC 34a_100138415774_100000183369 [0,2,0,0,0,0|1,0,0]=3 2684 B17R1.4860 COCC(=O)NCc1ccc(c(c1)OC)OC 527a_100000185555_100000210968 [0,2,0,0,0,0|1,0,0]=3 2685 B17R1.4860 COCN(C)CCc1ccc(c(c1)OC)OC 2230a_100000211294_100000766300 [0,2,0,0,0,0|2,0,0]=4 2686 B17R1.4860 COCN(C)CCc1ccc(c(c1)OC)OC 269982a_100000211294_100000766300 [0,2,0,0,0,0|2,0,0]=4 2687 B17R1.4860 COc1cc(ccc1SC)SCC(=O)NCO 62a_200011001119_100000185155 [0,2,0,0,0,0|1,1,0]=4 2688 B17R1.4860 COc1cc(cnc1OC)SCC(=O)NCO 62a_100000185155_100010234541 [0,2,0,0,0,0|2,0,0]=4 2689 B17R1.4860 COc1ccc(cc1OC)C=CC(=O)CCO 1458a_100015194992_100000211926 [0,2,0,0,0,0|0,0,2]=4 2690 B17R1.4860 COc1ccc(cc1OC)CCC(=O)C=CBr 1458a_100016273825_100011740610 [0,2,0,0,0,0|1,0,0]=3 2691 B17R1.4860 COc1ccc(cc1OC)CCC(=O)C=CCl 1458a_200016279998_100011740610 [0,2,0,0,0,0|1,0,0]=3 2692 B17R1.4860 COc1ccc(cc1OC)CCC(=O)C=CI 1458a_100016256311_100011740610 [0,2,0,0,0,0|1,0,0]=3 2693 B17R1.4860 COc1ccc(cc1OC)CCC(=O)CC#N 1458a_100000187252_100011214920 [0,2,0,0,0,0|1,0,0]=3 2694 B17R1.4860 COc1ccc(cc1OC)CCC(=O)CC#N 1458a_100051588842_100011740610 [0,2,0,0,0,0|1,0,0]=3 2695 B17R1.4860 COc1ccc(cc1OC)CCC(=O)CCF 1458a_100000187252_100011217306 [0,2,0,0,0,0|1,0,0]=3 2696 B17R1.4860 COc1ccc(cc1OC)CCC(=O)CCO 1458a_100000187252_100000211926 [0,2,0,0,0,0|0,0,0]=2 2697 B17R1.4860 COc1ccc(cc1OC)CCC(=O)CCO 1458a_100011216618_100011740610 [0,2,0,0,0,0|0,0,0]=2 2698 B17R1.4860 COc1ccc(cc1OC)CCC(=O)CSC 1458a_100000184570_100011740610 [0,2,0,0,0,0|0,1,0]=3 2699 B17R1.4860 COc1ccc(cc1OC)CCN(C)CC=O 2230a_100000211294_200015260668 [0,2,0,0,0,0|2,0,0]=4 2700 B17R1.4860 COc1ccc(cc1OC)CCN(C)CC=O 269982a_100000211294_200015260668 [0,2,0,0,0,0|2,0,0]=4 2701 B17R1.4860 COc1ccc(cc1OC)CCN(C)CCO 2230a_100000210263_100011273988 [0,2,0,0,0,0|2,0,0]=4 2702 B17R1.4860 COc1ccc(cc1OC)CCN(C)CCO 2230a_100000211294_100000211926 [0,2,0,0,0,0|2,0,0]=4 2703 B17R1.4860 COc1ccc(cc1OC)CCN(C)CCO 269982a_100000210263_100011273988 [0,2,0,0,0,0|2,0,0]=4 2704 B17R1.4860 COc1ccc(cc1OC)CCN(C)CCO 269982a_100000211294_100000211926 [0,2,0,0,0,0|2,0,0]=4 2705 B17R1.4860 COc1ccc(cc1OC)CCN(C)CCO 270004a_100000210263_100011754369 [0,2,0,0,0,0|2,0,0]=4 2706 B17R1.4860 COc1ccc(cc1OC)CNC(=O)C=CBr 1626a_100000185555_100016273825 [0,2,0,0,0,0|2,0,0]=4 2707 B17R1.4860 COc1ccc(cc1OC)CNC(=O)C=CBr 240690a_100000185555_100016273825 [0,2,0,0,0,0|2,0,0]=4 2708 B17R1.4860 COc1ccc(cc1OC)CNC(=O)C=CCl 11a_100000185555_200016279998 [0,2,0,0,0,0|2,0,0]=4 2709 B17R1.4860 COc1ccc(cc1OC)CNC(=O)C=CCl 1626a_100000185555_200016279998 [0,2,0,0,0,0|2,0,0]=4 2710 B17R1.4860 COc1ccc(cc1OC)CNC(=O)C=CCl 240690a_100000185555_200016279998 [0,2,0,0,0,0|2,0,0]=4 2711 B17R1.4860 COc1ccc(cc1OC)CNC(=O)C=CI 1626a_100000185555_100016256311 [0,2,0,0,0,0|2,0,0]=4 2712 B17R1.4860 COc1ccc(cc1OC)CNC(=O)CC#N 1626a_100000185555_100051588842 [0,2,0,0,0,0|2,0,0]=4 2713 B17R1.4860 COc1ccc(cc1OC)CNC(=O)CC#N 240690a_100000185555_100051588842 [0,2,0,0,0,0|2,0,0]=4 2714 B17R1.4860 COc1ccc(cc1OC)CNC(=O)CCO 240690a_100000185555_100011216618 [0,2,0,0,0,0|1,0,0]=3 2715 B17R1.4860 COc1ccc(cc1OC)CNC(=O)CSC 11a_100000185555_100000184570 [0,2,0,0,0,0|1,1,0]=4 2716 B17R1.4860 COc1ccc(cc1OC)CNC(=O)CSC 1626a_100000185555_100000184570 [0,2,0,0,0,0|1,1,0]=4 2717 B17R1.4860 COc1ccc(cc1OC)CNC(=O)CSC 240690a_100000185555_100000184570 [0,2,0,0,0,0|1,1,0]=4 2718 B17R1.4860 COc1ccc(cc1OC)CNC(=O)CSC 527a_100000185555_100000184570 [0,2,0,0,0,0|1,1,0]=4 2719 B17R1.4860 COc1ccc(cc1OC)CNC(=O)CSC 62a_100000183369_200000210301 [0,2,0,0,0,0|1,1,0]=4 2720 B17R1.4860 COc1ccc(cc1OC)CNC(=O)CSC 62a_200000210301_100000183369 [0,2,0,0,0,0|1,1,0]=4 2721 B17R1.4860 COc1ccc(cc1OC)CNC(=O)CS[13CH3] 62a_100000183369_200025704644 [0,2,0,0,0,0|1,1,0]=4 2722 B17R1.4860 COc1ccc(cc1OC)CNC(=O)CS[13CH3] 62a_200025704644_100000183369 [0,2,0,0,0,0|1,1,0]=4 2723 B17R1.4860 COc1ccc(cc1OC)NCC(=O)NCO 34a_100000187404_100000185155 [0,2,0,0,0,0|1,0,0]=3 2724 B17R1.4860 COc1ccc(cc1OC)OCC(=O)NCO 34a_100000039706_100000185155 [0,2,0,0,0,0|1,0,0]=3 2725 B17R1.4860 COc1ccc(cc1OC)SCC(=O)NCO 62a_100000185155_100011356967 [0,2,0,0,0,0|1,0,0]=3 2726 B17R1.4860 COc1ccc(cc1SC)SCC(=O)NCO 62a_200009892704_100000185155 [0,2,0,0,0,0|1,1,0]=4 2727 B17R1.4860 COc1ccc(nc1OC)SCC(=O)NCO 62a_100000185155_100010214848 [0,2,0,0,0,0|2,0,0]=4 2728 B17R1.5366 COC(=O)COc1ccc(c(c1)OC)C(=O)C 34a_100000116857_100000747449 [0,2,0,0,0,0|2,0,0]=4 2729 B17R1.5366 COC(=O)COc1ccc(c(c1)OC)C(=O)C 7a_100000116857_100000747449 [0,2,0,0,0,0|2,0,0]=4 2730 B17R1.5366 COC(=O)CSc1ccc(c(c1)OC)C(=O)C 62a_100000709911_100000747449 [0,2,0,0,0,0|2,0,0]=4 2731 B17R1.8588 C=CC(=O)NCc1ccc(c(c1)OC)OCC 1626a_200000739100_100000185746 [0,2,0,0,0,0|2,0,0]=4 2732 B17R1.8588 C=CC(=O)NCc1ccc(c(c1)OC)OCC 240690a_200000739100_200121576911 [0,2,0,0,0,0|2,0,0]=4 2733 B17R1.8588 CCOc1ccc(cc1CC)SCC(=O)OC 62a_100000747449_200010070707 [0,2,0,0,0,0|2,0,0]=4 2734 B17R1.8588 CCOc1ccc(cc1CC)SCC(=O)OC 62a_200010070707_100000747449 [0,2,0,0,0,0|2,0,0]=4 2735 B17R1.8588 CCOc1ccc(cc1OC)C=CC(=O)OC 34a_100000149373_100000210202 [0,2,0,0,0,0|0,0,2]=4 2736 B17R1.8588 CCOc1ccc(cc1OC)CCC(=O)OC 34a_100000070228_100000210202 [0,2,0,0,0,0|0,0,0]=2 2737 B17R1.8588 CCOc1ccc(cc1OC)CCC(=O)OC 7a_100000070228_100000210202 [0,2,0,0,0,0|0,0,0]=2 2738 B17R1.8588 CCOc1ccc(cc1OC)CNC(=O)CC 11a_200000739100_100000210414 [0,2,0,0,0,0|2,0,0]=4 2739 B17R1.8588 CCOc1ccc(cc1OC)CNC(=O)CC 1626a_200000739100_100000210414 [0,2,0,0,0,0|2,0,0]=4 2740 B17R1.8588 CCOc1ccc(cc1OC)CNC(=O)CC 240690a_200000739100_100000210414 [0,2,0,0,0,0|2,0,0]=4 2741 B17R1.8588 CCOc1ccc(cc1OC)CNC(=O)CC 527a_200000739100_100000210414 [0,2,0,0,0,0|2,0,0]=4 2742 B17R1.8588 CCOc1ccc(cc1OC)CNC(=O)CO 240690a_200000739100_100000210174 [0,2,0,0,0,0|1,0,0]=3 2743 B17R1.8588 CCOc1ccc(cc1OC)CNC(=O)CO 527a_200000739100_100000210174 [0,2,0,0,0,0|1,0,0]=3 2744 B17R1.8588 CCOc1ccc(cc1OC)CNC(=O)NC 2708a_100102657272_200000739100 [0,2,0,0,0,0|2,0,0]=4 2745 B17R1.8588 CCOc1ccc(cc1OC)CNC(=O)NC 2708a_200000739100_106832991635 [0,2,0,0,0,0|2,0,0]=4 2746 B17R1.8588 CCOc1ccc(cc1OC)CNC(=O)NC 273464a_100102657272_200000739100 [0,2,0,0,0,0|2,0,0]=4 2747 B17R1.8588 CCOc1ccc(cc1OC)CNC(=O)NC 273464a_200000739100_100102657272 [0,2,0,0,0,0|2,0,0]=4 2748 B17R1.8588 CCOc1ccc(cc1OC)CNC(=O)NC 512a_106832991638_200000739100 [0,2,0,0,0,0|2,0,0]=4 2749 B17R1.8588 CCOc1ccc(cc1OC)CNC(=O)NC 512a_200000739100_100102657272 [0,2,0,0,0,0|2,0,0]=4 2750 B17R1.8588 CCOc1ccc(cc1OC)NCC(=O)NC 2230a_100000184985_100000183359 [0,2,0,0,0,0|2,0,0]=4 2751 B17R1.8588 CCOc1ccc(cc1OC)NCC(=O)NC 34a_100000184985_100000183359 [0,2,0,0,0,0|2,0,0]=4 2752 B17R1.8588 CCOc1ccc(cc1OC)NCC(=O)OC 2230a_100000184985_100000747449 [0,2,0,0,0,0|1,0,0]=3 2753 B17R1.8588 CCOc1ccc(cc1OC)NCC(=O)OC 34a_100000184985_100000747449 [0,2,0,0,0,0|1,0,0]=3 2754 B17R1.8588 CCOc1ncc(cc1OC)SCC(=O)OC 62a_100000747449_200010116856 [0,2,0,0,0,0|2,0,0]=4 2755 B17R1.8588 COC(=O)C=Cc1ccc(c(c1)OC)OCF 34a_100000149373_100015361967 [0,2,0,0,0,0|0,0,2]=4 2756 B17R1.8588 COC(=O)CCc1ccc(c(c1)OC)OCF 34a_100000070228_100015361967 [0,2,0,0,0,0|0,0,0]=2 2757 B17R1.8588 COC(=O)CCc1ccc(c(c1)OC)OCF 7a_100000070228_100015361967 [0,2,0,0,0,0|0,0,0]=2 2758 B17R1.16981 C=CC(=O)NCc1ccc(c(c1)OCC)OC 1626a_100000755831_100000185746 [0,2,0,0,0,0|2,0,0]=4 2759 B17R1.16981 C=CC(=O)NCc1ccc(c(c1)OCC)OC 240690a_100000755831_200121576911 [0,2,0,0,0,0|2,0,0]=4 2760 B17R1.16981 CCC(=O)CSc1ccc(c(c1)COC)OC 62a_100000747405_200011493686 [0,2,0,0,0,0|2,0,0]=4 2761 B17R1.16981 CCC(=O)CSc1ccc(c(c1)COC)OC 62a_200011493686_100000747405 [0,2,0,0,0,0|2,0,0]=4 2762 B17R1.16981 CCOc1cc(ccc1OC)C=CC(=O)OC 34a_100000724557_100000210202 [0,2,0,0,0,0|0,0,2]=4 2763 B17R1.16981 CCOc1cc(ccc1OC)CCC(=O)CC 1458a_200011356518_100000210202 [0,2,0,0,0,0|1,0,0]=3 2764 B17R1.16981 CCOc1cc(ccc1OC)CCC(=O)CF 1458a_200011356518_100015361967 [0,2,0,0,0,0|1,0,0]=3 2765 B17R1.16981 CCOc1cc(ccc1OC)CCC(=O)NC 11a_106832991635_200011356518 [0,2,0,0,0,0|1,0,0]=3 2766 B17R1.16981 CCOc1cc(ccc1OC)CCC(=O)NC 1626a_100102657272_200011356518 [0,2,0,0,0,0|1,0,0]=3 2767 B17R1.16981 CCOc1cc(ccc1OC)CCC(=O)NC 240690a_100102657272_200011356518 [0,2,0,0,0,0|1,0,0]=3 2768 B17R1.16981 CCOc1cc(ccc1OC)CCC(=O)NC 527a_100102657272_200011356518 [0,2,0,0,0,0|1,0,0]=3 2769 B17R1.16981 CCOc1cc(ccc1OC)CCC(=O)OC 34a_100000056475_100000210202 [0,2,0,0,0,0|0,0,0]=2 2770 B17R1.16981 CCOc1cc(ccc1OC)CCC(=O)OC 7a_100000056475_100000210202 [0,2,0,0,0,0|0,0,0]=2 2771 B17R1.16981 CCOc1cc(ccc1OC)CNC(=O)CC 11a_100000755831_100000210414 [0,2,0,0,0,0|2,0,0]=4 2772 B17R1.16981 CCOc1cc(ccc1OC)CNC(=O)CC 1626a_100000755831_100000210414 [0,2,0,0,0,0|2,0,0]=4 2773 B17R1.16981 CCOc1cc(ccc1OC)CNC(=O)CC 240690a_100000755831_100000210414 [0,2,0,0,0,0|2,0,0]=4 2774 B17R1.16981 CCOc1cc(ccc1OC)CNC(=O)CC 527a_100000755831_100000210414 [0,2,0,0,0,0|2,0,0]=4 2775 B17R1.16981 CCOc1cc(ccc1OC)CNC(=O)CO 240690a_100000755831_100000210174 [0,2,0,0,0,0|1,0,0]=3 2776 B17R1.16981 CCOc1cc(ccc1OC)CNC(=O)CO 527a_100000755831_100000210174 [0,2,0,0,0,0|1,0,0]=3 2777 B17R1.16981 CCOc1cc(ccc1OC)CNC(=O)NC 2708a_100000755831_106832991635 [0,2,0,0,0,0|2,0,0]=4 2778 B17R1.16981 CCOc1cc(ccc1OC)CNC(=O)NC 2708a_100102657272_100000755831 [0,2,0,0,0,0|2,0,0]=4 2779 B17R1.16981 CCOc1cc(ccc1OC)CNC(=O)NC 273464a_100000755831_100102657272 [0,2,0,0,0,0|2,0,0]=4 2780 B17R1.16981 CCOc1cc(ccc1OC)CNC(=O)NC 273464a_100102657272_100000755831 [0,2,0,0,0,0|2,0,0]=4 2781 B17R1.16981 CCOc1cc(ccc1OC)CNC(=O)NC 512a_100000755831_100102657272 [0,2,0,0,0,0|2,0,0]=4 2782 B17R1.16981 CCOc1cc(ccc1OC)CNC(=O)NC 512a_106832991638_100000755831 [0,2,0,0,0,0|2,0,0]=4 2783 B17R1.16981 CNC(=O)CSc1ccc(c(c1)COC)OC 62a_100000183359_200011493686 [0,2,0,0,0,0|2,0,0]=4 2784 B17R1.16981 CNC(=O)CSc1ccc(c(c1)COC)OC 62a_200011493686_100000183359 [0,2,0,0,0,0|2,0,0]=4 2785 B17R1.16981 CNCc1cc(ccc1OC)SCC(=O)OC 62a_100000690607_100000747449 [0,2,0,0,0,0|2,0,0]=4 2786 B17R1.16981 CNCc1cc(ccc1OC)SCC(=O)OC 62a_100000747449_100000690607 [0,2,0,0,0,0|2,0,0]=4 2787 B17R1.16981 COC(=O)C=Cc1ccc(c(c1)OCF)OC 34a_100000724557_100015361967 [0,2,0,0,0,0|0,0,2]=4 2788 B17R1.16981 COC(=O)CCc1ccc(c(c1)OCF)OC 34a_100000056475_100015361967 [0,2,0,0,0,0|0,0,0]=2 2789 B17R1.16981 COC(=O)CCc1ccc(c(c1)OCF)OC 7a_100000056475_100015361967 [0,2,0,0,0,0|0,0,0]=2 2790 B17R1.16981 COC(=O)CSc1ccc(c(c1)CCN)OC 62a_100000747449_100000763266 [0,2,0,0,0,0|2,0,0]=4 2791 B17R1.16981 COC(=O)CSc1ccc(c(c1)CCN)OC 62a_100000763266_100000747449 [0,2,0,0,0,0|2,0,0]=4 2792 B17R1.16981 COCc1cc(ccc1OC)SCC(=O)OC 62a_100000747449_200011493686 [0,2,0,0,0,0|1,0,0]=3 2793 B17R1.16981 COCc1cc(ccc1OC)SCC(=O)OC 62a_200011493686_100000747449 [0,2,0,0,0,0|1,0,0]=3 2794 B17R1.48215 C=CC(=O)NCc1ccc(c(c1Cl)OC)OC 1626a_102515433231_100000185746 [0,2,0,0,0,0|2,0,0]=4 2795 B17R1.48215 C=CC(=O)NCc1ccc(c(c1Cl)OC)OC 240690a_102515433231_200121576911 [0,2,0,0,0,0|2,0,0]=4 2796 B17R1.48215 CCC(=O)CCc1ccc(c(c1C)OC)OC 1458a_200010008019_100000210202 [0,2,0,0,0,0|1,0,0]=3 2797 B17R1.48215 CCC(=O)CSc1ccc(c(c1C)OC)OC 62a_100000747405_100010000156 [0,2,0,0,0,0|2,0,0]=4 2798 B17R1.48215 CCC(=O)NCc1ccc(c(c1Cl)OC)OC 11a_102515433231_100000210414 [0,2,0,0,0,0|2,0,0]=4 2799 B17R1.48215 CCC(=O)NCc1ccc(c(c1Cl)OC)OC 1626a_102515433231_100000210414 [0,2,0,0,0,0|2,0,0]=4 2800 B17R1.48215 CCC(=O)NCc1ccc(c(c1Cl)OC)OC 240690a_102515433231_100000210414 [0,2,0,0,0,0|2,0,0]=4 2801 B17R1.48215 CCC(=O)NCc1ccc(c(c1Cl)OC)OC 527a_102515433231_100000210414 [0,2,0,0,0,0|2,0,0]=4 2802 B17R1.48215 CNC(=O)CCc1ccc(c(c1C)OC)OC 11a_106832991635_200010008019 [0,2,0,0,0,0|1,0,0]=3 2803 B17R1.48215 CNC(=O)CCc1ccc(c(c1C)OC)OC 1626a_100102657272_200010008019 [0,2,0,0,0,0|1,0,0]=3 2804 B17R1.48215 CNC(=O)CCc1ccc(c(c1C)OC)OC 240690a_100102657272_200010008019 [0,2,0,0,0,0|1,0,0]=3 2805 B17R1.48215 CNC(=O)CCc1ccc(c(c1C)OC)OC 527a_100102657272_200010008019 [0,2,0,0,0,0|1,0,0]=3 2806 B17R1.48215 CNC(=O)CSc1ccc(c(c1C)OC)OC 62a_100000183359_100010000156 [0,2,0,0,0,0|2,0,0]=4 2807 B17R1.48215 CNC(=O)NCc1ccc(c(c1Cl)OC)OC 2708a_100102657272_102515433231 [0,2,0,0,0,0|2,0,0]=4 2808 B17R1.48215 CNC(=O)NCc1ccc(c(c1Cl)OC)OC 2708a_102515433231_106832991635 [0,2,0,0,0,0|2,0,0]=4 2809 B17R1.48215 CNC(=O)NCc1ccc(c(c1Cl)OC)OC 273464a_100102657272_102515433231 [0,2,0,0,0,0|2,0,0]=4 2810 B17R1.48215 CNC(=O)NCc1ccc(c(c1Cl)OC)OC 273464a_102515433231_100102657272 [0,2,0,0,0,0|2,0,0]=4 2811 B17R1.48215 CNC(=O)NCc1ccc(c(c1Cl)OC)OC 512a_102515433231_100102657272 [0,2,0,0,0,0|2,0,0]=4 2812 B17R1.48215 CNC(=O)NCc1ccc(c(c1Cl)OC)OC 512a_106832991638_102515433231 [0,2,0,0,0,0|2,0,0]=4 2813 B17R1.48215 COC(=O)CSc1ccc(c(c1C)OC)OC 62a_100000747449_100010000156 [0,2,0,0,0,0|1,0,0]=3 2814 B17R1.48215 COc1ccc(c(c1OC)C)CCC(=O)CF 1458a_200010008019_100015361967 [0,2,0,0,0,0|1,0,0]=3 2815 B17R1.48215 COc1ccc(c(c1OC)Cl)CNC(=O)CO 240690a_102515433231_100000210174 [0,2,0,0,0,0|1,0,0]=3 2816 B17R1.48215 COc1ccc(c(c1OC)Cl)CNC(=O)CO 527a_102515433231_100000210174 [0,2,0,0,0,0|1,0,0]=3 2817 B17R1.164005 C=CC(=O)NCc1cc(c(cc1F)OC)OC 1626a_100132302102_100000185746 [0,2,0,0,0,0|2,0,0]=4 2818 B17R1.164005 C=CC(=O)NCc1cc(c(cc1F)OC)OC 240690a_100132302102_200121576911 [0,2,0,0,0,0|2,0,0]=4 2819 B17R1.164005 CCC(=O)CSc1cc(c(cc1F)OC)OC 62a_200011765842_100000747405 [0,2,0,0,0,0|2,0,0]=4 2820 B17R1.164005 CCC(=O)NCc1cc(c(cc1F)OC)OC 11a_100132302102_100000210414 [0,2,0,0,0,0|2,0,0]=4 2821 B17R1.164005 CCC(=O)NCc1cc(c(cc1F)OC)OC 1626a_100132302102_100000210414 [0,2,0,0,0,0|2,0,0]=4 2822 B17R1.164005 CCC(=O)NCc1cc(c(cc1F)OC)OC 240690a_100132302102_100000210414 [0,2,0,0,0,0|2,0,0]=4 2823 B17R1.164005 CCC(=O)NCc1cc(c(cc1F)OC)OC 527a_100132302102_100000210414 [0,2,0,0,0,0|2,0,0]=4 2824 B17R1.164005 CNC(=O)CNc1cc(c(cc1C)OC)OC 34a_100000183460_100000183359 [0,2,0,0,0,0|2,0,0]=4 2825 B17R1.164005 CNC(=O)CNc1cc(c(cc1F)OC)OC 34a_100000753170_100000183359 [0,2,0,0,0,0|2,0,0]=4 2826 B17R1.164005 CNC(=O)CSc1cc(c(cc1F)OC)OC 62a_200011765842_100000183359 [0,2,0,0,0,0|2,0,0]=4 2827 B17R1.164005 CNC(=O)NCc1cc(c(cc1F)OC)OC 2708a_100102657272_100132302102 [0,2,0,0,0,0|2,0,0]=4 2828 B17R1.164005 CNC(=O)NCc1cc(c(cc1F)OC)OC 2708a_100132302102_106832991635 [0,2,0,0,0,0|2,0,0]=4 2829 B17R1.164005 CNC(=O)NCc1cc(c(cc1F)OC)OC 273464a_100102657272_100132302102 [0,2,0,0,0,0|2,0,0]=4 2830 B17R1.164005 CNC(=O)NCc1cc(c(cc1F)OC)OC 273464a_100132302102_100102657272 [0,2,0,0,0,0|2,0,0]=4 2831 B17R1.164005 CNC(=O)NCc1cc(c(cc1F)OC)OC 512a_100132302102_100102657272 [0,2,0,0,0,0|2,0,0]=4 2832 B17R1.164005 CNC(=O)NCc1cc(c(cc1F)OC)OC 512a_106832991638_100132302102 [0,2,0,0,0,0|2,0,0]=4 2833 B17R1.164005 COC(=O)CNc1cc(c(cc1C)OC)OC 34a_100000183460_100000747449 [0,2,0,0,0,0|1,0,0]=3 2834 B17R1.164005 COC(=O)CNc1cc(c(cc1F)OC)OC 34a_100000753170_100000747449 [0,2,0,0,0,0|1,0,0]=3 2835 B17R1.164005 COC(=O)CSc1cc(c(cc1F)OC)OC 62a_200011765842_100000747449 [0,2,0,0,0,0|1,0,0]=3 2836 B17R1.164005 COC(=O)CSc1nc(c(cc1C)OC)OC 62a_100000747449_200011016175 [0,2,0,0,0,0|2,0,0]=4 2837 B17R1.164005 COc1cc(c(cc1OC)CNC(=O)CO)F 240690a_100132302102_100000210174 [0,2,0,0,0,0|1,0,0]=3 2838 B17R1.164005 COc1cc(c(cc1OC)CNC(=O)CO)F 527a_100132302102_100000210174 [0,2,0,0,0,0|1,0,0]=3 2839 B17R1.5270 COC(=O)c1ccc(cc1OC)OCC(=O)N 34a_100000082606_100000187820 [0,2,0,0,0,0|2,0,0]=4 2840 B17R1.5270 COC(=O)c1ccc(cc1OC)OCC(=O)N 7a_100000082606_100000187820 [0,2,0,0,0,0|2,0,0]=4 2841 B17R1.5270 COC(=O)c1ccc(cc1OC)OCC(=O)[O-] 34a_100000082606_100020667443 [0,2,0,0,0,0|1,0,1]=4 2842 B17R1.5270 COC(=O)c1ccc(cc1OC)SCC(=O)N 62a_100000708095_100000747473 [0,2,0,0,0,0|2,0,0]=4 2843 B17R1.5270 COC(=O)c1ccc(cc1OC)SCC(=O)[O-] 62a_100000708095_100020667443 [0,2,0,0,0,0|1,0,1]=4 2844 B17R1.5264 COc1cc(ccc1OC(C)C)CCC(=O)C 34a_100011290831_100000210206 [0,2,0,0,0,0|1,0,0]=3 2845 B17R1.5264 COc1cc(ccc1OC(C)C)CCC(=O)C 7a_100011290831_100000210206 [0,2,0,0,0,0|1,0,0]=3 2846 B17R1.5264 COc1cc(ccc1OC(C)C)CC[N+](=O)[O-] 34a_100000080128_100000210206 [0,2,0,0,0,0|1,0,1]=4 2847 B17R1.5264 COc1cc(ccc1OC(C)C)CC[N+](=O)[O-] 7a_100000080128_100000210206 [0,2,0,0,0,0|1,0,1]=4 2848 B17R1.5264 COc1cc(ccc1OC(C)C)CNC(=O)C 11a_100000738442_100015343762 [0,2,0,0,0,0|2,0,0]=4 2849 B17R1.5264 COc1cc(ccc1OC(C)C)CNC(=O)C 1626a_100000738442_100015343762 [0,2,0,0,0,0|2,0,0]=4 2850 B17R1.5264 COc1cc(ccc1OC(C)C)CNC(=O)C 240690a_100000738442_100015343762 [0,2,0,0,0,0|2,0,0]=4 2851 B17R1.5264 COc1cc(ccc1OC(C)C)CNC(=O)C 34a_100000046322_100000210206 [0,2,0,0,0,0|2,0,0]=4 2852 B17R1.5264 COc1cc(ccc1OC(C)C)CNC(=O)C 527a_100000738442_100103153847 [0,2,0,0,0,0|2,0,0]=4 2853 B17R1.5264 COc1cc(ccc1OC(C)C)CNC(=O)C 7a_100000046322_100000210206 [0,2,0,0,0,0|2,0,0]=4 2854 B17R1.5264 COc1cc(ccc1OC(C)C)SCC(=O)N 62a_100000747473_100012354883 [0,2,0,0,0,0|2,0,0]=4 2855 B17R1.5264 COc1cc(ccc1OC(C)C)SCC(=O)N 62a_100012354883_100000747473 [0,2,0,0,0,0|2,0,0]=4 2856 B17R1.5264 COc1cc(ccc1OC(C)C)SCC(=O)[O-] 62a_100012354883_100020667443 [0,2,0,0,0,0|1,0,1]=4 2857 B17R1.5264 COc1cc(ccc1OC(C)C)SCC(=O)[O-] 62a_100020667443_100012354883 [0,2,0,0,0,0|1,0,1]=4 2858 B17R1.5264 COc1cc(ccc1OC(F)F)NCC(=O)N 2230a_100011279676_100000747473 [0,2,0,0,0,0|2,0,0]=4 2859 B17R1.5264 COc1cc(ccc1OC(F)F)NCC(=O)N 34a_100011279676_100000187820 [0,2,0,0,0,0|2,0,0]=4 2860 B17R1.5264 COc1cc(ccc1OC(F)F)NCC(=O)[O-] 34a_100011279676_100020667443 [0,2,0,0,0,0|1,0,1]=4 2861 B17R1.11913 CCOc1cc(ccc1OCF)CCC(C)O 34a_100012377587_100015361967 [0,2,0,0,0,0|1,0,1]=4 2862 B17R1.11913 CCOc1cc(ccc1OCF)CCC(C)O 7a_100012377587_100015361967 [0,2,0,0,0,0|1,0,1]=4 2863 B17R1.11913 CCOc1ccc(cc1OCC)CCC(C)O 34a_100012377587_100000210202 [0,2,0,0,0,0|1,0,1]=4 2864 B17R1.11913 CCOc1ccc(cc1OCC)CCC(C)O 7a_100012377587_100000210202 [0,2,0,0,0,0|1,0,1]=4 2865 B17R1.11913 CCOc1ccc(cc1OCC)CNC(=O)C 11a_114948179043_100015343762 [0,2,0,0,0,0|2,0,0]=4 2866 B17R1.11913 CCOc1ccc(cc1OCC)CNC(=O)C 1626a_114948179043_100015343762 [0,2,0,0,0,0|2,0,0]=4 2867 B17R1.11913 CCOc1ccc(cc1OCC)CNC(=O)C 240690a_114948179043_100015343762 [0,2,0,0,0,0|2,0,0]=4 2868 B17R1.11913 CCOc1ccc(cc1OCC)CNC(=O)C 527a_114948179043_100103153847 [0,2,0,0,0,0|2,0,0]=4 2869 B17R1.11913 CCOc1ccc(cc1OCC)NCC(=O)N 2230a_100000682499_100000747473 [0,2,0,0,0,0|2,0,0]=4 2870 B17R1.11913 CCOc1ccc(cc1OCC)NCC(=O)N 34a_100000682499_100000187820 [0,2,0,0,0,0|2,0,0]=4 2871 B17R1.11913 CCOc1ccc(cc1OCC)NCC(=O)[O-] 34a_100000682499_100020667443 [0,2,0,0,0,0|1,0,1]=4 2872 B17R1.22511 C#CCOc1ccc(cc1OC)CCC(=O)C 34a_100011290831_100000184674 [0,2,0,0,0,0|1,0,0]=3 2873 B17R1.22511 C#CCOc1ccc(cc1OC)CCC(=O)C 7a_100011290831_100000038162 [0,2,0,0,0,0|1,0,0]=3 2874 B17R1.22511 C#CCOc1ccc(cc1OC)CC[N+](=O)[O-] 34a_100000080128_100000184674 [0,2,0,0,0,0|1,0,1]=4 2875 B17R1.22511 C#CCOc1ccc(cc1OC)CC[N+](=O)[O-] 7a_100000080128_100000038162 [0,2,0,0,0,0|1,0,1]=4 2876 B17R1.22511 C#CCOc1ccc(cc1OC)CNC(=O)C 34a_100000046322_100000184674 [0,2,0,0,0,0|2,0,0]=4 2877 B17R1.22511 C#CCOc1ccc(cc1OC)CNC(=O)C 7a_100000046322_100000038162 [0,2,0,0,0,0|2,0,0]=4 2878 B17R1.22511 C=CCOc1ccc(cc1OC)CCC(=O)C 34a_100011290831_100015514636 [0,2,0,0,0,0|1,0,0]=3 2879 B17R1.22511 C=CCOc1ccc(cc1OC)CCC(=O)C 7a_100011290831_100015514636 [0,2,0,0,0,0|1,0,0]=3 2880 B17R1.22511 C=CCOc1ccc(cc1OC)CC[N+](=O)[O-] 34a_100000080128_100015514636 [0,2,0,0,0,0|1,0,1]=4 2881 B17R1.22511 C=CCOc1ccc(cc1OC)CC[N+](=O)[O-] 7a_100000080128_100015514636 [0,2,0,0,0,0|1,0,1]=4 2882 B17R1.22511 C=CCOc1ccc(cc1OC)CNC(=O)C 34a_100000046322_100015514636 [0,2,0,0,0,0|2,0,0]=4 2883 B17R1.22511 C=CCOc1ccc(cc1OC)CNC(=O)C 7a_100000046322_100015514636 [0,2,0,0,0,0|2,0,0]=4 2884 B17R1.22511 CCCOc1ccc(cc1OC)CCC(=O)C 34a_100011290831_100000210303 [0,2,0,0,0,0|1,0,0]=3 2885 B17R1.22511 CCCOc1ccc(cc1OC)CCC(=O)C 7a_100011290831_100000210303 [0,2,0,0,0,0|1,0,0]=3 2886 B17R1.22511 CCCOc1ccc(cc1OC)CC[N+](=O)[O-] 34a_100000080128_100000210303 [0,2,0,0,0,0|1,0,1]=4 2887 B17R1.22511 CCCOc1ccc(cc1OC)CC[N+](=O)[O-] 7a_100000080128_100000210303 [0,2,0,0,0,0|1,0,1]=4 2888 B17R1.22511 CCCOc1ccc(cc1OC)CNC(=O)C 11a_100000738441_100015343762 [0,2,0,0,0,0|2,0,0]=4 2889 B17R1.22511 CCCOc1ccc(cc1OC)CNC(=O)C 1626a_100000738441_100015343762 [0,2,0,0,0,0|2,0,0]=4 2890 B17R1.22511 CCCOc1ccc(cc1OC)CNC(=O)C 240690a_100000738441_100015343762 [0,2,0,0,0,0|2,0,0]=4 2891 B17R1.22511 CCCOc1ccc(cc1OC)CNC(=O)C 34a_100000046322_100000210303 [0,2,0,0,0,0|2,0,0]=4 2892 B17R1.22511 CCCOc1ccc(cc1OC)CNC(=O)C 527a_100000738441_100103153847 [0,2,0,0,0,0|2,0,0]=4 2893 B17R1.22511 CCCOc1ccc(cc1OC)CNC(=O)C 7a_100000046322_100000210303 [0,2,0,0,0,0|2,0,0]=4 2894 B17R1.22511 CCCOc1ccc(cc1OC)NCC(=O)N 34a_100011611390_100000187820 [0,2,0,0,0,0|2,0,0]=4 2895 B17R1.22511 CCCOc1ccc(cc1OC)NCC(=O)[O-] 34a_100011611390_100020667443 [0,2,0,0,0,0|1,0,1]=4 2896 B17R1.22511 COc1cc(ccc1OCC#N)CCC(=O)C 7a_100011290831_100011215382 [0,2,0,0,0,0|1,0,0]=3 2897 B17R1.22511 COc1cc(ccc1OCC#N)CC[N+](=O)[O-] 7a_100000080128_100011215382 [0,2,0,0,0,0|1,0,1]=4 2898 B17R1.22511 COc1cc(ccc1OCC#N)CNC(=O)C 7a_100000046322_100011215382 [0,2,0,0,0,0|2,0,0]=4 2899 B17R1.22511 COc1cc(ccc1OCC=O)CCC(=O)C 34a_100011290831_200009817547 [0,2,0,0,0,0|1,0,0]=3 2900 B17R1.22511 COc1cc(ccc1OCC=O)CCC(=O)C 7a_100011290831_200015260668 [0,2,0,0,0,0|1,0,0]=3 2901 B17R1.22511 COc1cc(ccc1OCC=O)CC[N+](=O)[O-] 34a_100000080128_200009817547 [0,2,0,0,0,0|1,0,1]=4 2902 B17R1.22511 COc1cc(ccc1OCC=O)CC[N+](=O)[O-] 7a_100000080128_200015260668 [0,2,0,0,0,0|1,0,1]=4 2903 B17R1.22511 COc1cc(ccc1OCC=O)CNC(=O)C 34a_100000046322_200009817547 [0,2,0,0,0,0|2,0,0]=4 2904 B17R1.22511 COc1cc(ccc1OCC=O)CNC(=O)C 7a_100000046322_200015260668 [0,2,0,0,0,0|2,0,0]=4 2905 B17R1.22511 COc1cc(ccc1OCCF)CCC(=O)C 34a_100011290831_100011217306 [0,2,0,0,0,0|1,0,0]=3 2906 B17R1.22511 COc1cc(ccc1OCCF)CCC(=O)C 7a_100011290831_100011217306 [0,2,0,0,0,0|1,0,0]=3 2907 B17R1.22511 COc1cc(ccc1OCCF)CC[N+](=O)[O-] 34a_100000080128_100011217306 [0,2,0,0,0,0|1,0,1]=4 2908 B17R1.22511 COc1cc(ccc1OCCF)CC[N+](=O)[O-] 7a_100000080128_100011217306 [0,2,0,0,0,0|1,0,1]=4 2909 B17R1.22511 COc1cc(ccc1OCCF)CNC(=O)C 34a_100000046322_100011217306 [0,2,0,0,0,0|2,0,0]=4 2910 B17R1.22511 COc1cc(ccc1OCCF)CNC(=O)C 7a_100000046322_100011217306 [0,2,0,0,0,0|2,0,0]=4 2911 B17R1.22511 COc1cc(ccc1OCCO)CCC(=O)C 34a_100011290831_100000211926 [0,2,0,0,0,0|1,0,0]=3 2912 B17R1.22511 COc1cc(ccc1OCCO)CCC(=O)C 7a_100011290831_100000211926 [0,2,0,0,0,0|1,0,0]=3 2913 B17R1.22511 COc1cc(ccc1OCCO)CC[N+](=O)[O-] 34a_100000080128_100000211926 [0,2,0,0,0,0|1,0,1]=4 2914 B17R1.22511 COc1cc(ccc1OCCO)CC[N+](=O)[O-] 7a_100000080128_100000211926 [0,2,0,0,0,0|1,0,1]=4 2915 B17R1.22511 COc1cc(ccc1OCCO)CNC(=O)C 34a_100000046322_100000211926 [0,2,0,0,0,0|2,0,0]=4 2916 B17R1.22511 COc1cc(ccc1OCCO)CNC(=O)C 7a_100000046322_100000211926 [0,2,0,0,0,0|2,0,0]=4 2917 B17R1.22511 COc1cc(ccc1OCCO)SCC(=O)N 62a_100000747473_100012347953 [0,2,0,0,0,0|2,0,0]=4 2918 B17R1.22511 COc1cc(ccc1OCCO)SCC(=O)N 62a_100012347953_100000747473 [0,2,0,0,0,0|2,0,0]=4 2919 B17R1.22511 COc1cc(ccc1OCCO)SCC(=O)[O-] 62a_100012347953_100020667443 [0,2,0,0,0,0|1,0,1]=4 2920 B17R1.22511 COc1cc(ccc1OCCO)SCC(=O)[O-] 62a_100020667443_100012347953 [0,2,0,0,0,0|1,0,1]=4 2921 B17R1.22511 COc1cc(ccc1OCSC)CCC(=O)C 34a_100011290831_100011218213 [0,2,0,0,0,0|1,0,0]=3 2922 B17R1.22511 COc1cc(ccc1OCSC)CC[N+](=O)[O-] 34a_100000080128_100011218213 [0,2,0,0,0,0|1,0,1]=4 2923 B17R1.22511 COc1cc(ccc1OCSC)CNC(=O)C 34a_100000046322_100011218213 [0,2,0,0,0,0|2,0,0]=4 2924 B17R1.4666 COc1ccc(cc1OC(C)C)CC[N+](=O)[O-] 34a_200000077489_100000210206 [0,2,0,0,0,0|1,0,1]=4 2925 B17R1.4666 COc1ccc(cc1OC(C)C)CC[N+](=O)[O-] 7a_200000077489_100000210206 [0,2,0,0,0,0|1,0,1]=4 2926 B17R1.4666 COc1ccc(cc1OC(C)C)SCC(=O)N 62a_100000747473_200010232110 [0,2,0,0,0,0|2,0,0]=4 2927 B17R1.4666 COc1ccc(cc1OC(C)C)SCC(=O)N 62a_200010232110_100000747473 [0,2,0,0,0,0|2,0,0]=4 2928 B17R1.4666 COc1ccc(cc1OC(C)C)SCC(=O)[O-] 62a_100020667443_200010232110 [0,2,0,0,0,0|1,0,1]=4 2929 B17R1.4666 COc1ccc(cc1OC(C)C)SCC(=O)[O-] 62a_200010232110_100020667443 [0,2,0,0,0,0|1,0,1]=4 2930 B17R1.4666 COc1ccc(cc1OC(F)F)NCC(=O)N 2230a_100000735751_100000747473 [0,2,0,0,0,0|2,0,0]=4 2931 B17R1.4666 COc1ccc(cc1OC(F)F)NCC(=O)N 34a_100000735751_100000187820 [0,2,0,0,0,0|2,0,0]=4 2932 B17R1.4666 COc1ccc(cc1OC(F)F)NCC(=O)[O-] 34a_100000735751_100020667443 [0,2,0,0,0,0|1,0,1]=4 2933 B17R1.23484 C#CCOc1cc(ccc1OC)CC[N+](=O)[O-] 34a_200000077489_100000184674 [0,2,0,0,0,0|1,0,1]=4 2934 B17R1.23484 C#CCOc1cc(ccc1OC)CC[N+](=O)[O-] 7a_200000077489_100000038162 [0,2,0,0,0,0|1,0,1]=4 2935 B17R1.23484 C=CCOc1cc(ccc1OC)CC[N+](=O)[O-] 34a_200000077489_100015514636 [0,2,0,0,0,0|1,0,1]=4 2936 B17R1.23484 C=CCOc1cc(ccc1OC)CC[N+](=O)[O-] 7a_200000077489_100015514636 [0,2,0,0,0,0|1,0,1]=4 2937 B17R1.23484 CCCOc1cc(ccc1OC)CC[N+](=O)[O-] 34a_200000077489_100000210303 [0,2,0,0,0,0|1,0,1]=4 2938 B17R1.23484 CCCOc1cc(ccc1OC)CC[N+](=O)[O-] 7a_200000077489_100000210303 [0,2,0,0,0,0|1,0,1]=4 2939 B17R1.23484 COc1ccc(cc1OCC#N)CC[N+](=O)[O-] 7a_200000077489_100011215382 [0,2,0,0,0,0|1,0,1]=4 2940 B17R1.23484 COc1ccc(cc1OCC#N)SCC(=O)N 62a_100000747473_200010203062 [0,2,0,0,0,0|2,0,0]=4 2941 B17R1.23484 COc1ccc(cc1OCC#N)SCC(=O)N 62a_200010203062_100000747473 [0,2,0,0,0,0|2,0,0]=4 2942 B17R1.23484 COc1ccc(cc1OCC#N)SCC(=O)[O-] 62a_100020667443_200010203062 [0,2,0,0,0,0|1,0,1]=4 2943 B17R1.23484 COc1ccc(cc1OCC#N)SCC(=O)[O-] 62a_200010203062_100020667443 [0,2,0,0,0,0|1,0,1]=4 2944 B17R1.23484 COc1ccc(cc1OCC=O)CC[N+](=O)[O-] 34a_200000077489_200009817547 [0,2,0,0,0,0|1,0,1]=4 2945 B17R1.23484 COc1ccc(cc1OCC=O)CC[N+](=O)[O-] 7a_200000077489_200015260668 [0,2,0,0,0,0|1,0,1]=4 2946 B17R1.23484 COc1ccc(cc1OCCF)CC[N+](=O)[O-] 34a_200000077489_100011217306 [0,2,0,0,0,0|1,0,1]=4 2947 B17R1.23484 COc1ccc(cc1OCCF)CC[N+](=O)[O-] 7a_200000077489_100011217306 [0,2,0,0,0,0|1,0,1]=4 2948 B17R1.23484 COc1ccc(cc1OCCO)CC[N+](=O)[O-] 34a_200000077489_100000211926 [0,2,0,0,0,0|1,0,1]=4 2949 B17R1.23484 COc1ccc(cc1OCCO)CC[N+](=O)[O-] 7a_200000077489_100000211926 [0,2,0,0,0,0|1,0,1]=4 2950 B17R1.23484 COc1ccc(cc1OCSC)CC[N+](=O)[O-] 34a_200000077489_100011218213 [0,2,0,0,0,0|1,0,1]=4 2951 B17R1.164004 COc1cc(c(cc1CNC(=O)C)OC)OC 11a_100000749821_100015343762 [0,2,0,0,0,0|2,0,0]=4 2952 B17R1.164004 COc1cc(c(cc1CNC(=O)C)OC)OC 1626a_100000749821_100015343762 [0,2,0,0,0,0|2,0,0]=4 2953 B17R1.164004 COc1cc(c(cc1CNC(=O)C)OC)OC 527a_100000749821_100103153847 [0,2,0,0,0,0|2,0,0]=4 2954 B17R1.164004 COc1cc(c(cc1OC)SCC(=O)N)C#N 62a_100000747473_100000188247 [0,2,0,0,0,0|2,0,0]=4 2955 B17R1.164004 COc1cc(c(cc1OC)SCC(=O)N)C=O 62a_100000170863_100000747473 [0,2,0,0,0,0|2,0,0]=4 2956 B17R1.164004 COc1cc(c(cc1OC)SCC(=O)N)CO 62a_200000246283_100000747473 [0,2,0,0,0,0|2,0,0]=4 2957 B17R1.164004 COc1cc(c(cc1OC)SCC(=O)[O-])C#N 62a_100020667443_100000188247 [0,2,0,0,0,0|1,0,1]=4 2958 B17R1.164004 COc1cc(c(cc1OC)SCC(=O)[O-])C=O 62a_100000170863_100020667443 [0,2,0,0,0,0|1,0,1]=4 2959 B17R1.164004 COc1cc(c(cc1OC)SCC(=O)[O-])CO 62a_200000246283_100020667443 [0,2,0,0,0,0|1,0,1]=4 2960 B17R1.48219 COc1ccc(c(c1OC)OC)CCC(=O)C 1458a_100000299705_200000210301 [0,2,0,0,0,0|1,0,0]=3 2961 B17R1.48219 COc1ccc(c(c1OC)OC)CCC(=O)[13CH3] 1458a_100000299705_200025704644 [0,2,0,0,0,0|1,0,0]=3 2962 B17R1.48219 COc1ccc(c(c1OC)OC)CNC(=O)C 11a_100000737524_100015343762 [0,2,0,0,0,0|2,0,0]=4 2963 B17R1.48219 COc1ccc(c(c1OC)OC)CNC(=O)C 1626a_100000737524_100015343762 [0,2,0,0,0,0|2,0,0]=4 2964 B17R1.48219 COc1ccc(c(c1OC)OC)CNC(=O)C 240690a_100000737524_100015343762 [0,2,0,0,0,0|2,0,0]=4 2965 B17R1.48219 COc1ccc(c(c1OC)OC)CNC(=O)C 527a_100000737524_100103153847 [0,2,0,0,0,0|2,0,0]=4 2966 B17R1.48219 COc1ccc(c(c1OC)OC)NCC(=O)N 34a_100000751027_100000187820 [0,2,0,0,0,0|2,0,0]=4 2967 B17R1.48219 COc1ccc(c(c1OC)OC)NCC(=O)[O-] 34a_100000751027_100020667443 [0,2,0,0,0,0|1,0,1]=4 2968 B17R1.48219 COc1ccc(c(c1OC)OC)OCC(=O)N 34a_100000074623_100000187820 [0,2,0,0,0,0|2,0,0]=4 2969 B17R1.48219 COc1ccc(c(c1OC)OC)OCC(=O)[O-] 34a_100000074623_100020667443 [0,2,0,0,0,0|1,0,1]=4 2970 B15R2.7688 CC(=O)CCc1ccc2c(c1)CCO2 1458a_100000070787_100000763274 [1,0,0,1,0,0|2,0,0]=4 2971 B15R2.7688 CC(=O)CCc1ccc2c(c1)CCO2 1458a_100000686558_200000210301 [1,0,0,1,0,0|2,0,0]=4 2972 B15R2.7688 CC(=O)CCc1ccc2c(c1)OCO2 1458a_100000235677_200000210301 [1,0,0,1,0,0|1,0,0]=3 2973 B15R2.7688 CC(=O)COc1ccc2c(c1)OCO2 1458a_100000246017_200000210301 [1,0,0,1,0,0|2,0,0]=4 2974 B15R2.7688 CC(=O)NCc1ccc2c(c1)OCO2 11a_100000210006_100015343762 [1,0,0,1,0,0|2,0,0]=4 2975 B15R2.7688 CC(=O)NCc1ccc2c(c1)OCO2 1626a_100000210006_100015343762 [1,0,0,1,0,0|2,0,0]=4 2976 B15R2.7688 CC(=O)NCc1ccc2c(c1)OCO2 240690a_100000210006_100015343762 [1,0,0,1,0,0|2,0,0]=4 2977 B15R2.7688 CC(=O)NCc1ccc2c(c1)OCO2 527a_100000210006_100103153847 [1,0,0,1,0,0|2,0,0]=4 2978 B15R2.7688 NC(=O)CNc1ccc2c(c1)OCO2 2230a_100000209953_100000747473 [1,0,0,1,0,0|2,0,0]=4 2979 B15R2.7688 NC(=O)CNc1ccc2c(c1)OCO2 34a_100000209953_100000187820 [1,0,0,1,0,0|2,0,0]=4 2980 B15R2.7688 NC(=O)COc1ccc2c(c1)OCO2 34a_100000210298_100000187820 [1,0,0,1,0,0|2,0,0]=4 2981 B15R2.7688 NC(=O)CSc1ccc2c(c1)OCC2 62a_100000747473_100009818566 [1,0,0,1,0,0|2,0,0]=4 2982 B15R2.7688 NC(=O)CSc1ccc2c(c1)OCC2 62a_100009818566_100000747473 [1,0,0,1,0,0|2,0,0]=4 2983 B15R2.7688 O=C([O-])CNc1ccc2c(c1)OCO2 34a_100000209953_100020667443 [1,0,0,1,0,0|1,0,1]=4 2984 B15R2.7688 O=C([O-])COc1ccc2c(c1)OCO2 34a_100000210298_100020667443 [1,0,0,1,0,0|1,0,1]=4 2985 B15R2.7688 O=C([O-])CSc1ccc2c(c1)OCC2 62a_100009818566_100020667443 [1,0,0,1,0,0|1,0,1]=4 2986 B15R2.7688 O=C([O-])CSc1ccc2c(c1)OCC2 62a_100020667443_100009818566 [1,0,0,1,0,0|1,0,1]=4 2987 B15R2.7688 [13CH3]C(=O)CCc1ccc2c(c1)CCO2 1458a_100000686558_200025704644 [1,0,0,1,0,0|2,0,0]=4 2988 B15R2.7688 [13CH3]C(=O)CCc1ccc2c(c1)OCO2 1458a_100000235677_200025704644 [1,0,0,1,0,0|1,0,0]=3 2989 B15R2.7688 [13CH3]C(=O)COc1ccc2c(c1)OCO2 1458a_100000246017_200025704644 [1,0,0,1,0,0|2,0,0]=4 2990 B15R2.352 C=CCNc1ccc2c(c1)OCCO2 2230a_100020630400_100000210623 [1,0,0,1,0,0|2,0,0]=4 2991 B15R2.352 C=CCNc1ccc2c(c1)OCCO2 34a_100020630400_100015514636 [1,0,0,1,0,0|2,0,0]=4 2992 B15R2.352 C=CCOc1ccc2c(c1)OCCO2 34a_100000234341_100015514636 [1,0,0,1,0,0|2,0,0]=4 2993 B15R2.352 C=CCSc1ccc2c(c1)OCCO2 62a_100000210623_100011216881 [1,0,0,1,0,0|2,0,0]=4 2994 B15R2.352 C=CCSc1ccc2c(c1)OCCO2 62a_100011216881_100000210623 [1,0,0,1,0,0|2,0,0]=4 2995 B15R2.352 CCCCc1ccc2c(c1)OCCO2 271570a_100020621405_100000184379 [1,0,0,1,0,0|1,0,1]=4 2996 B15R2.352 O=CCNc1ccc2c(c1)CCCO2 2230a_100138412508_200015260668 [1,0,0,1,0,0|2,0,0]=4 2997 B15R2.352 O=CCNc1ccc2c(c1)CCCO2 34a_100138412508_200009817547 [1,0,0,1,0,0|2,0,0]=4 2998 B15R2.352 O=CCNc1ccc2c(c1)OCCO2 2230a_100020630400_200015260668 [1,0,0,1,0,0|1,0,0]=3 2999 B15R2.352 O=CCNc1ccc2c(c1)OCCO2 34a_100020630400_200009817547 [1,0,0,1,0,0|1,0,0]=3 3000 B15R2.352 O=CCOc1ccc2c(c1)NCCO2 34a_100020636358_200009817547 [1,0,0,1,0,0|2,0,0]=4 3001 B15R2.352 O=CCOc1ccc2c(c1)OCCO2 34a_100000234341_200009817547 [1,0,0,1,0,0|1,0,0]=3 3002 B15R2.352 O=CCSc1ccc2c(c1)CCCO2 62a_100011393166_200015260668 [1,0,0,1,0,0|2,0,0]=4 3003 B15R2.352 O=CCSc1ccc2c(c1)CCCO2 62a_200015260668_100011393166 [1,0,0,1,0,0|2,0,0]=4 3004 B15R2.352 O=CCSc1ccc2c(c1)NCCO2 62a_200015260668_100000708519 [1,0,0,1,0,0|2,0,0]=4 3005 B15R2.352 O=CCSc1ccc2c(c1)OCCC2 62a_100010700467_200015260668 [1,0,0,1,0,0|2,0,0]=4 3006 B15R2.352 O=CCSc1ccc2c(c1)OCCC2 62a_200015260668_100010700467 [1,0,0,1,0,0|2,0,0]=4 3007 B15R2.352 O=CCSc1ccc2c(c1)OCCN2 62a_200015260668_100012355470 [1,0,0,1,0,0|2,0,0]=4 3008 B15R2.352 O=CCSc1ccc2c(c1)OCCO2 62a_100011216881_200015260668 [1,0,0,1,0,0|1,0,0]=3 3009 B15R2.352 O=CCSc1ccc2c(c1)OCCO2 62a_200015260668_100011216881 [1,0,0,1,0,0|1,0,0]=3 3010 B15R2.352 OCCNc1ccc2c(c1)OCCO2 2230a_100020630400_100000211926 [1,0,0,1,0,0|1,0,1]=4 3011 B15R2.352 OCCNc1ccc2c(c1)OCCO2 34a_100020630400_100000211926 [1,0,0,1,0,0|1,0,1]=4 3012 B15R2.352 OCCOc1ccc2c(c1)OCCO2 34a_100000234341_100000211926 [1,0,0,1,0,0|1,0,1]=4 3013 B15R2.352 OCCSc1ccc2c(c1)OCCO2 62a_100000211926_100011216881 [1,0,0,1,0,0|1,0,1]=4 3014 B15R2.352 OCCSc1ccc2c(c1)OCCO2 62a_100011216881_100000211926 [1,0,0,1,0,0|1,0,1]=4 3015 B15R2.3136 C=Cc1c(ccc2c1C(=O)CC2)OC 271570a_100011290941_100010009199 [1,0,0,1,0,0|1,0,1]=4 3016 B15R2.3136 COc1ccc2c(c1SC)C(=O)CC2 62a_100010009199_200000210301 [1,0,0,1,0,0|0,1,0]=3 3017 B15R2.3136 COc1ccc2c(c1SC)C(=O)CC2 62a_200000210301_100010009199 [1,0,0,1,0,0|0,1,0]=3 3018 B15R2.3136 COc1ccc2c(c1S[13CH3])C(=O)CC2 62a_100010009199_200025704644 [1,0,0,1,0,0|0,1,0]=3 3019 B15R2.3136 COc1ccc2c(c1S[13CH3])C(=O)CC2 62a_200025704644_100010009199 [1,0,0,1,0,0|0,1,0]=3 3020 B15R2.21574 C=Cc1cc2c(cc1OC)C(=O)CC2 271570a_100011290941_100010233615 [1,0,0,1,0,0|1,0,1]=4 3021 B15R2.21574 C=Cc1cc2c(cc1OC)CCC2=O 271570a_100011290941_200010010916 [1,0,0,1,0,0|1,0,1]=4 3022 B15R2.21574 COc1cc2c(cc1SC)C(=O)CC2 62a_200000210301_200010010916 [1,0,0,1,0,0|0,1,0]=3 3023 B15R2.21574 COc1cc2c(cc1SC)C(=O)CC2 62a_200010010916_200000210301 [1,0,0,1,0,0|0,1,0]=3 3024 B15R2.21574 COc1cc2c(cc1SC)CCC2=O 62a_100010233615_200000210301 [1,0,0,1,0,0|0,1,0]=3 3025 B15R2.21574 COc1cc2c(cc1SC)CCC2=O 62a_200000210301_100010233615 [1,0,0,1,0,0|0,1,0]=3 3026 B15R2.21574 COc1cc2c(cc1S[13CH3])C(=O)CC2 62a_200010010916_200025704644 [1,0,0,1,0,0|0,1,0]=3 3027 B15R2.21574 COc1cc2c(cc1S[13CH3])C(=O)CC2 62a_200025704644_200010010916 [1,0,0,1,0,0|0,1,0]=3 3028 B15R2.21574 COc1cc2c(cc1S[13CH3])CCC2=O 62a_100010233615_200025704644 [1,0,0,1,0,0|0,1,0]=3 3029 B15R2.21574 COc1cc2c(cc1S[13CH3])CCC2=O 62a_200025704644_100010233615 [1,0,0,1,0,0|0,1,0]=3 3030 B15R2.1668 CC(=O)Cc1ccc2c(c1)OCCO2 1458a_100000184005_200000210301 [0,0,0,1,1,0|1,0,0]=3 3031 B15R2.1668 CC(=O)Nc1ccc2c(c1)OCCO2 11a_100020630400_100015343762 [0,0,0,1,1,0|2,0,0]=4 3032 B15R2.1668 CC(=O)Nc1ccc2c(c1)OCCO2 1626a_100020630400_100015343762 [0,0,0,1,1,0|2,0,0]=4 3033 B15R2.1668 CC(=O)Nc1ccc2c(c1)OCCO2 22a_100020630400_100000070787 [0,0,0,1,1,0|2,0,0]=4 3034 B15R2.1668 CC(=O)Nc1ccc2c(c1)OCCO2 527a_100020630400_100103153847 [0,0,0,1,1,0|2,0,0]=4 3035 B15R2.1668 [13CH3]C(=O)Cc1ccc2c(c1)OCCO2 1458a_100000184005_200025704644 [0,0,0,1,1,0|1,0,0]=3 3036 B17R2.2408 CCc1cc(ccc1OC)C2=CC(=O)CC2 271570a_100010737933_200010179862 [0,0,0,1,0,1|2,0,0]=4 3037 B17R2.2408 CCc1ccc(cc1OC)C2=CC(=O)CC2 271570a_100010737933_200010710398 [0,0,0,1,0,1|2,0,0]=4 3038 B17R2.2408 COc1cc(ccc1O[13CH3])C2OCC(O2)C 34a_100009991347_200025704644 [0,0,0,1,0,1|1,0,1]=4 3039 B17R2.2408 COc1cc(ccc1O[13CH3])C2OCC(O2)C 7a_100009991347_200025704644 [0,0,0,1,0,1|1,0,1]=4 3040 B17R2.2408 COc1cc(ccc1SC)C2=CC(=O)CC2 271570a_100010737933_200011001119 [0,0,0,1,0,1|1,1,0]=4 3041 B17R2.2408 COc1cc(cnc1OC)C2=CC(=O)CC2 271570a_100010737933_100010234541 [0,0,0,1,0,1|2,0,0]=4 3042 B17R2.2408 COc1ccc(cc1OC)C2=CC(=O)CC2 271570a_100010737933_100000187503 [0,0,0,1,0,1|1,0,0]=3 3043 B17R2.2408 COc1ccc(cc1OC)C2OCC(O2)C 34a_100009991347_200000210301 [0,0,0,1,0,1|1,0,1]=4 3044 B17R2.2408 COc1ccc(cc1OC)C2OCC(O2)C 7a_100009991347_200000210301 [0,0,0,1,0,1|1,0,1]=4 3045 B17R2.2408 COc1ccc(cc1SC)C2=CC(=O)CC2 271570a_100010737933_200009892704 [0,0,0,1,0,1|1,1,0]=4 3046 B17R2.2408 COc1ccc(nc1OC)C2=CC(=O)CC2 271570a_100010737933_100010214848 [0,0,0,1,0,1|2,0,0]=4 3047 B17R2.5669 C=C(C)CCNc1ccc2c(c1)OCCO2 2230a_100020630400_100000730704 [0,0,0,1,0,1|2,0,0]=4 3048 B17R2.5669 C=C(C)CCNc1ccc2c(c1)OCCO2 34a_100020630400_100000730704 [0,0,0,1,0,1|2,0,0]=4 3049 B17R2.5669 C=C(C)CCOc1ccc2c(c1)OCCO2 34a_100000234341_100000730704 [0,0,0,1,0,1|2,0,0]=4 3050 B17R2.5669 C=C(C)CCSc1ccc2c(c1)OCCO2 62a_100000730704_100011216881 [0,0,0,1,0,1|2,0,0]=4 3051 B17R2.5669 C=C(C)CCSc1ccc2c(c1)OCCO2 62a_100011216881_100000730704 [0,0,0,1,0,1|2,0,0]=4 3052 B17R2.5669 C=C(C)CNCc1ccc2c(c1)OCCO2 2230a_100000684186_100000748629 [0,0,0,1,0,1|2,0,0]=4 3053 B17R2.5669 C=C(C)CNCc1ccc2c(c1)OCCO2 34a_100000684186_100000748629 [0,0,0,1,0,1|2,0,0]=4 3054 B17R2.5669 C=C(C)COCc1ccc2c(c1)OCCO2 34a_100000745213_100000748629 [0,0,0,1,0,1|2,0,0]=4 3055 B17R2.5669 C=C(F)CNCc1ccc2c(c1)OCCO2 2230a_100000684186_100009893438 [0,0,0,1,0,1|2,0,0]=4 3056 B17R2.5669 C=C(F)CNCc1ccc2c(c1)OCCO2 34a_100000684186_100009893438 [0,0,0,1,0,1|2,0,0]=4 3057 B17R2.5669 C=C(F)COCc1ccc2c(c1)OCCO2 34a_100000745213_100009893438 [0,0,0,1,0,1|2,0,0]=4 3058 B17R2.5669 CC(=O)CCCc1ccc2c(c1)OCCO2 1458a_100011219915_200000210301 [0,0,0,1,0,1|1,0,0]=3 3059 B17R2.5669 CC(=O)CCSc1ccc2c(c1)CCCO2 62a_100000053229_100011393166 [0,0,0,1,0,1|2,0,0]=4 3060 B17R2.5669 CC(=O)CCSc1ccc2c(c1)CCCO2 62a_100011393166_100000053229 [0,0,0,1,0,1|2,0,0]=4 3061 B17R2.5669 CC(=O)CCSc1ccc2c(c1)NCCO2 62a_100000053229_100000708519 [0,0,0,1,0,1|2,0,0]=4 3062 B17R2.5669 CC(=O)CCSc1ccc2c(c1)OCCC2 62a_100000053229_100010700467 [0,0,0,1,0,1|2,0,0]=4 3063 B17R2.5669 CC(=O)CCSc1ccc2c(c1)OCCC2 62a_100010700467_100000053229 [0,0,0,1,0,1|2,0,0]=4 3064 B17R2.5669 CC(=O)CCSc1ccc2c(c1)OCCN2 62a_100000053229_100012355470 [0,0,0,1,0,1|2,0,0]=4 3065 B17R2.5669 CC(=O)CCSc1ccc2c(c1)OCCO2 1458a_100000208716_200000210301 [0,0,0,1,0,1|1,0,0]=3 3066 B17R2.5669 CC(=O)CCSc1ccc2c(c1)OCCO2 62a_100000053229_100011216881 [0,0,0,1,0,1|1,0,0]=3 3067 B17R2.5669 CC(=O)CCSc1ccc2c(c1)OCCO2 62a_100011216881_100000053229 [0,0,0,1,0,1|1,0,0]=3 3068 B17R2.5669 CC(=O)OCNc1ccc2c(c1)OCCO2 34a_100020630400_100009813279 [0,0,0,1,0,1|2,0,0]=4 3069 B17R2.5669 CC(=O)OCOc1ccc2c(c1)OCCO2 34a_100000234341_100009813279 [0,0,0,1,0,1|2,0,0]=4 3070 B17R2.5669 CC(=O)OCSc1ccc2c(c1)OCCO2 62a_100000076356_100011216881 [0,0,0,1,0,1|2,0,0]=4 3071 B17R2.5669 CC(=O)OCSc1ccc2c(c1)OCCO2 62a_100011216881_100000076356 [0,0,0,1,0,1|2,0,0]=4 3072 B17R2.5669 CC(O)CCNc1ccc2c(c1)OCCO2 2230a_100020630400_100012276601 [0,0,0,1,0,1|1,0,1]=4 3073 B17R2.5669 CC(O)CCNc1ccc2c(c1)OCCO2 34a_100020630400_100012276601 [0,0,0,1,0,1|1,0,1]=4 3074 B17R2.5669 CC(O)CCOc1ccc2c(c1)OCCO2 34a_100000234341_100012276601 [0,0,0,1,0,1|1,0,1]=4 3075 B17R2.5669 CC(O)CCSc1ccc2c(c1)OCCO2 62a_100011216881_100012276601 [0,0,0,1,0,1|1,0,1]=4 3076 B17R2.5669 CC(O)CCSc1ccc2c(c1)OCCO2 62a_100012276601_100011216881 [0,0,0,1,0,1|1,0,1]=4 3077 B17R2.5669 CC(O)CNCc1ccc2c(c1)OCCO2 207a_100000210904_100000184955 [0,0,0,1,0,1|1,0,1]=4 3078 B17R2.5669 CC(O)CNCc1ccc2c(c1)OCCO2 2230a_100000684186_100011218427 [0,0,0,1,0,1|1,0,1]=4 3079 B17R2.5669 CC(O)CNCc1ccc2c(c1)OCCO2 270004a_100000210904_100000184955 [0,0,0,1,0,1|1,0,1]=4 3080 B17R2.5669 CC(O)CNCc1ccc2c(c1)OCCO2 34a_100000684186_100011218427 [0,0,0,1,0,1|1,0,1]=4 3081 B17R2.5669 CC(O)COCc1ccc2c(c1)OCCO2 34a_100000745213_100011218427 [0,0,0,1,0,1|1,0,1]=4 3082 B17R2.5669 C[C@@H](O)CNCc1ccc2c(c1)OCCO2 2230a_100000684186_100009817552 [0,0,0,1,0,1|1,0,1]=4 3083 B17R2.5669 C[C@@H](O)CNCc1ccc2c(c1)OCCO2 34a_100000684186_100009817552 [0,0,0,1,0,1|1,0,1]=4 3084 B17R2.5669 C[C@@H](O)COCc1ccc2c(c1)OCCO2 34a_100000745213_100009817552 [0,0,0,1,0,1|1,0,1]=4 3085 B17R2.5669 NC(=O)CCNc1ccc2c(c1)CCCO2 2230a_100138412508_100000744528 [0,0,0,1,0,1|2,0,0]=4 3086 B17R2.5669 NC(=O)CCNc1ccc2c(c1)CCCO2 34a_100138412508_100000731001 [0,0,0,1,0,1|2,0,0]=4 3087 B17R2.5669 NC(=O)CCNc1ccc2c(c1)OCCO2 2230a_100020630400_100000744528 [0,0,0,1,0,1|1,0,0]=3 3088 B17R2.5669 NC(=O)CCNc1ccc2c(c1)OCCO2 34a_100020630400_100000731001 [0,0,0,1,0,1|1,0,0]=3 3089 B17R2.5669 NC(=O)CCOc1ccc2c(c1)NCCO2 34a_100020636358_100000731001 [0,0,0,1,0,1|2,0,0]=4 3090 B17R2.5669 NC(=O)CCOc1ccc2c(c1)OCCO2 34a_100000234341_100000731001 [0,0,0,1,0,1|1,0,0]=3 3091 B17R2.5669 NC(=O)CCSc1ccc2c(c1)CCCO2 62a_100000744528_100011393166 [0,0,0,1,0,1|2,0,0]=4 3092 B17R2.5669 NC(=O)CCSc1ccc2c(c1)CCCO2 62a_100011393166_100000744528 [0,0,0,1,0,1|2,0,0]=4 3093 B17R2.5669 NC(=O)CCSc1ccc2c(c1)NCCO2 62a_100000744528_100000708519 [0,0,0,1,0,1|2,0,0]=4 3094 B17R2.5669 NC(=O)CCSc1ccc2c(c1)OCCC2 62a_100000744528_100010700467 [0,0,0,1,0,1|2,0,0]=4 3095 B17R2.5669 NC(=O)CCSc1ccc2c(c1)OCCC2 62a_100010700467_100000744528 [0,0,0,1,0,1|2,0,0]=4 3096 B17R2.5669 NC(=O)CCSc1ccc2c(c1)OCCN2 62a_100000744528_100012355470 [0,0,0,1,0,1|2,0,0]=4 3097 B17R2.5669 NC(=O)CCSc1ccc2c(c1)OCCO2 62a_100000744528_100011216881 [0,0,0,1,0,1|1,0,0]=3 3098 B17R2.5669 NC(=O)CCSc1ccc2c(c1)OCCO2 62a_100011216881_100000744528 [0,0,0,1,0,1|1,0,0]=3 3099 B17R2.5669 NC(=O)CNCc1ccc2c(c1)OCCO2 2230a_100000684186_100000747473 [0,0,0,1,0,1|1,0,0]=3 3100 B17R2.5669 NC(=O)CNCc1ccc2c(c1)OCCO2 34a_100000684186_100000187820 [0,0,0,1,0,1|1,0,0]=3 3101 B17R2.5669 NC(=O)COCc1ccc2c(c1)OCCO2 34a_100000745213_100000187820 [0,0,0,1,0,1|1,0,0]=3 3102 B17R2.5669 O=C([O-])CNCc1ccc2c(c1)OCCO2 34a_100000684186_100020667443 [0,0,0,1,0,1|0,0,1]=3 3103 B17R2.5669 O=C([O-])COCc1ccc2c(c1)OCCO2 34a_100000745213_100020667443 [0,0,0,1,0,1|0,0,1]=3 3104 B17R2.5669 O=[N+]([O-])CNCc1ccc2c(c1)OCCO2 34a_100000684186_100000761209 [0,0,0,1,0,1|1,0,1]=4 3105 B17R2.5669 O=[N+]([O-])COCc1ccc2c(c1)OCCO2 34a_100000745213_100000761209 [0,0,0,1,0,1|1,0,1]=4 3106 B17R2.5669 [13CH3]C(=O)CCCc1ccc2c(c1)OCCO2 1458a_100011219915_200025704644 [0,0,0,1,0,1|1,0,0]=3 3107 B17R2.5669 [13CH3]C(=O)CCSc1ccc2c(c1)OCCO2 1458a_100000208716_200025704644 [0,0,0,1,0,1|1,0,0]=3 3108 B17R2.65806 CNc1cc2c(cc1OC)CCN2C(=O)C 2230a_100010115580_200000210301 [0,0,0,1,0,1|2,0,0]=4 3109 B17R2.65806 COc1cc2c(cc1N[13CH3])N(CC2)C(=O)C 2230a_100010115580_200025704644 [0,0,0,1,0,1|2,0,0]=4 3110 B17R2.104606 CCc1cc(ccc1OC)SC2CC(=O)C2 62a_100009894365_200010179862 [0,0,0,1,0,1|2,0,0]=4 3111 B17R2.104606 CCc1ccc(cc1OC)SC2CC(=O)C2 62a_100009894365_200010710398 [0,0,0,1,0,1|2,0,0]=4 3112 B17R2.104606 COc1cc(cnc1OC)SC2CC(=O)C2 62a_100009894365_100010234541 [0,0,0,1,0,1|2,0,0]=4 3113 B17R2.104606 COc1ccc(cc1OC)CN2CC(C2)O 269982a_100000749847_100011233839 [0,0,0,1,0,1|1,0,1]=4 3114 B17R2.104606 COc1ccc(cc1OC)SC2CC(=O)C2 62a_100009894365_100011356967 [0,0,0,1,0,1|1,0,0]=3 3115 B17R2.104606 COc1ccc(nc1OC)SC2CC(=O)C2 62a_100009894365_100010214848 [0,0,0,1,0,1|2,0,0]=4 3116 B17R2.410720 COc1ccc(cc1OC)CNCC2CO2 34a_100000185555_102125554688 [0,0,0,1,0,1|1,0,1]=4 3117 B17R2.410720 COc1ccc(cc1OC)COCC2CO2 34a_100000210929_102125554688 [0,0,0,1,0,1|1,0,1]=4 3118 B17R2.410720 COc1ccc(cc1OC)CSCC2CO2 62a_102125554688_100011233839 [0,0,0,1,0,1|1,0,1]=4 3119 B17R2.410720 COc1ccc(cc1OC)CSC[C@@H]2CO2 62a_100000745022_100011233839 [0,0,0,1,0,1|1,0,1]=4 3120 B17R2.410720 COc1ccc(cc1OC)NCCC2CO2 34a_100000187404_100000732470 [0,0,0,1,0,1|1,0,1]=4 3121 B17R2.410720 COc1ccc(cc1OC)OCCC2CO2 34a_100000039706_100000732470 [0,0,0,1,0,1|1,0,1]=4 3122 B17R2.410720 COc1ccc(cc1OC)SCCC2CO2 62a_100000732470_100011356967 [0,0,0,1,0,1|1,0,1]=4 3123 B17R2.68834 COc1cc(cc2c1OCO2)CNC(=O)C 11a_100025755791_100015343762 [0,1,0,1,0,0|2,0,0]=4 3124 B17R2.68834 COc1cc(cc2c1OCO2)CNC(=O)C 1626a_100025755791_100015343762 [0,1,0,1,0,0|2,0,0]=4 3125 B17R2.68834 COc1cc(cc2c1OCO2)CNC(=O)C 240690a_100025755791_100015343762 [0,1,0,1,0,0|2,0,0]=4 3126 B17R2.68834 COc1cc(cc2c1OCO2)CNC(=O)C 527a_100025755791_100103153847 [0,1,0,1,0,0|2,0,0]=4 3127 B17R2.18967 CC(=O)CC(=O)c1ccc2c(c1)OCCO2 1458a_100000070787_100000185173 [0,1,0,1,0,0|1,0,1]=4 3128 B17R2.18967 CC(=O)NC(C)c1ccc2c(c1)OCCO2 11a_100000738497_100015343762 [0,1,0,1,0,0|2,0,0]=4 3129 B17R2.18967 CC(=O)NC(C)c1ccc2c(c1)OCCO2 1626a_100000738497_100015343762 [0,1,0,1,0,0|2,0,0]=4 3130 B17R2.18967 CC(=O)NC(C)c1ccc2c(c1)OCCO2 240690a_100000738497_100015343762 [0,1,0,1,0,0|2,0,0]=4 3131 B17R2.18967 CC(=O)NC(C)c1ccc2c(c1)OCCO2 527a_100000738497_100103153847 [0,1,0,1,0,0|2,0,0]=4 3132 B17R2.18967 NC(=O)CC(=O)c1ccc2c(c1)OCCO2 1458a_100000182659_100000187820 [0,1,0,1,0,0|1,0,1]=4 3133 B17R2.18967 O=C([O-])CC(=O)c1ccc2c(c1)OCCO2 1458a_100000182659_100020667443 [0,1,0,1,0,0|0,0,2]=4 3134 B17R2.9167 CC(=O)C(C)Nc1ccc2c(c1)OCCO2 2230a_100020630400_100009814033 [0,1,0,1,0,0|2,0,0]=4 3135 B17R2.9167 CC(=O)C(C)Sc1ccc2c(c1)OCCO2 62a_100009814033_100011216881 [0,1,0,1,0,0|2,0,0]=4 3136 B17R2.9167 CC(=O)C(C)Sc1ccc2c(c1)OCCO2 62a_100011216881_100009814033 [0,1,0,1,0,0|2,0,0]=4 3137 B17R2.9167 CC(=O)N(C)Cc1ccc2c(c1)OCCO2 11a_100000684720_100015343762 [0,1,0,1,0,0|2,0,0]=4 3138 B17R2.9167 CC(=O)N(C)Cc1ccc2c(c1)OCCO2 240690a_100000684720_100015343762 [0,1,0,1,0,0|2,0,0]=4 3139 B17R2.9167 CC(=O)N(C)Cc1ccc2c(c1)OCCO2 527a_100000684720_100103153847 [0,1,0,1,0,0|2,0,0]=4 3140 B17R2.9167 CC(Nc1ccc2c(c1)OCCO2)C(=O)N 2230a_100020630400_100000702099 [0,1,0,1,0,0|2,0,0]=4 3141 B17R2.9167 CC(Nc1ccc2c(c1)OCCO2)C(=O)N 34a_100020630400_100000702099 [0,1,0,1,0,0|2,0,0]=4 3142 B17R2.9167 CC(Oc1ccc2c(c1)OCCO2)C(=O)N 34a_100000234341_100000702099 [0,1,0,1,0,0|2,0,0]=4 3143 B17R2.9167 CC(Sc1ccc2c(c1)OCCO2)C(=O)N 62a_100000702099_100011216881 [0,1,0,1,0,0|2,0,0]=4 3144 B17R2.9167 CC(Sc1ccc2c(c1)OCCO2)C(=O)N 62a_100011216881_100000702099 [0,1,0,1,0,0|2,0,0]=4 3145 B17R2.9167 NC(=O)C(F)Nc1ccc2c(c1)OCCO2 2230a_100020630400_100009813875 [0,1,0,1,0,0|2,0,0]=4 3146 B17R2.9167 NC(=O)C(F)Nc1ccc2c(c1)OCCO2 34a_100020630400_100009813875 [0,1,0,1,0,0|2,0,0]=4 3147 B17R2.9167 NC(=O)C(F)Oc1ccc2c(c1)OCCO2 34a_100000234341_100009813875 [0,1,0,1,0,0|2,0,0]=4 3148 B17R2.9167 NC(=O)C(F)Sc1ccc2c(c1)OCCO2 62a_100009813875_100011216881 [0,1,0,1,0,0|2,0,0]=4 3149 B17R2.9167 NC(=O)C(F)Sc1ccc2c(c1)OCCO2 62a_100011216881_100009813875 [0,1,0,1,0,0|2,0,0]=4 3150 B17R2.9167 O=C([O-])C(F)Nc1ccc2c(c1)OCCO2 34a_100020630400_100020610796 [0,1,0,1,0,0|1,0,1]=4 3151 B17R2.9167 O=C([O-])C(F)Oc1ccc2c(c1)OCCO2 34a_100000234341_100020610796 [0,1,0,1,0,0|1,0,1]=4 3152 B17R2.9167 O=C([O-])C(F)Sc1ccc2c(c1)OCCO2 62a_100011216881_100020610796 [0,1,0,1,0,0|1,0,1]=4 3153 B17R2.9167 O=C([O-])C(F)Sc1ccc2c(c1)OCCO2 62a_100020610796_100011216881 [0,1,0,1,0,0|1,0,1]=4 3154 B17R2.9439 COc1ccc(cc1OC)NC2CCC2=O 34a_100000187404_100009892977 [0,1,0,1,0,0|2,0,0]=4 3155 B17R2.9439 COc1ccc(cc1OC)OC2CCC2=O 34a_100000039706_100009892977 [0,1,0,1,0,0|2,0,0]=4 3156 B17R2.9439 COc1ccc(cc1OC)SC2CCC2=O 62a_100009892977_100011356967 [0,1,0,1,0,0|2,0,0]=4 3157 B17R2.556 C=CC(=O)NCc1ccc2c(c1)OCCO2 1626a_100000684186_100000185746 [0,1,0,1,0,0|2,0,0]=4 3158 B17R2.556 C=CC(=O)NCc1ccc2c(c1)OCCO2 240690a_100000684186_200121576911 [0,1,0,1,0,0|2,0,0]=4 3159 B17R2.556 CCC(=O)CSc1ccc2c(c1)OCCO2 1458a_100000179515_100000210202 [0,1,0,1,0,0|2,0,0]=4 3160 B17R2.556 CCC(=O)CSc1ccc2c(c1)OCCO2 62a_100000747405_100011216881 [0,1,0,1,0,0|2,0,0]=4 3161 B17R2.556 CCC(=O)CSc1ccc2c(c1)OCCO2 62a_100011216881_100000747405 [0,1,0,1,0,0|2,0,0]=4 3162 B17R2.556 CCC(=O)NCc1ccc2c(c1)OCCO2 11a_100000684186_100000210414 [0,1,0,1,0,0|2,0,0]=4 3163 B17R2.556 CCC(=O)NCc1ccc2c(c1)OCCO2 1626a_100000684186_100000210414 [0,1,0,1,0,0|2,0,0]=4 3164 B17R2.556 CCC(=O)NCc1ccc2c(c1)OCCO2 240690a_100000684186_100000210414 [0,1,0,1,0,0|2,0,0]=4 3165 B17R2.556 CCC(=O)NCc1ccc2c(c1)OCCO2 527a_100000684186_100000210414 [0,1,0,1,0,0|2,0,0]=4 3166 B17R2.556 CNC(=O)CNc1ccc2c(c1)OCCO2 2230a_100020630400_100000183359 [0,1,0,1,0,0|2,0,0]=4 3167 B17R2.556 CNC(=O)CNc1ccc2c(c1)OCCO2 34a_100020630400_100000183359 [0,1,0,1,0,0|2,0,0]=4 3168 B17R2.556 CNC(=O)COc1ccc2c(c1)OCCO2 34a_100000234341_100000183359 [0,1,0,1,0,0|2,0,0]=4 3169 B17R2.556 CNC(=O)CSc1ccc2c(c1)OCCO2 11a_106832991635_100000179515 [0,1,0,1,0,0|2,0,0]=4 3170 B17R2.556 CNC(=O)CSc1ccc2c(c1)OCCO2 1626a_100102657272_100000179515 [0,1,0,1,0,0|2,0,0]=4 3171 B17R2.556 CNC(=O)CSc1ccc2c(c1)OCCO2 240690a_100102657272_100000179515 [0,1,0,1,0,0|2,0,0]=4 3172 B17R2.556 CNC(=O)CSc1ccc2c(c1)OCCO2 527a_100102657272_100000179515 [0,1,0,1,0,0|2,0,0]=4 3173 B17R2.556 CNC(=O)CSc1ccc2c(c1)OCCO2 62a_100000183359_100011216881 [0,1,0,1,0,0|2,0,0]=4 3174 B17R2.556 CNC(=O)CSc1ccc2c(c1)OCCO2 62a_100011216881_100000183359 [0,1,0,1,0,0|2,0,0]=4 3175 B17R2.556 CNC(=O)NCc1ccc2c(c1)OCCO2 2708a_100000684186_106832991635 [0,1,0,1,0,0|2,0,0]=4 3176 B17R2.556 CNC(=O)NCc1ccc2c(c1)OCCO2 2708a_100102657272_100000684186 [0,1,0,1,0,0|2,0,0]=4 3177 B17R2.556 CNC(=O)NCc1ccc2c(c1)OCCO2 273464a_100000684186_100102657272 [0,1,0,1,0,0|2,0,0]=4 3178 B17R2.556 CNC(=O)NCc1ccc2c(c1)OCCO2 273464a_100102657272_100000684186 [0,1,0,1,0,0|2,0,0]=4 3179 B17R2.556 CNC(=O)NCc1ccc2c(c1)OCCO2 512a_100000684186_100102657272 [0,1,0,1,0,0|2,0,0]=4 3180 B17R2.556 CNC(=O)NCc1ccc2c(c1)OCCO2 512a_106832991638_100000684186 [0,1,0,1,0,0|2,0,0]=4 3181 B17R2.556 COC(=O)CNc1ccc2c(c1)CCCO2 2230a_100138412508_100000747449 [0,1,0,1,0,0|2,0,0]=4 3182 B17R2.556 COC(=O)CNc1ccc2c(c1)CCCO2 34a_100138412508_100000747449 [0,1,0,1,0,0|2,0,0]=4 3183 B17R2.556 COC(=O)CNc1ccc2c(c1)OCCO2 2230a_100020630400_100000747449 [0,1,0,1,0,0|1,0,0]=3 3184 B17R2.556 COC(=O)CNc1ccc2c(c1)OCCO2 34a_100020630400_100000747449 [0,1,0,1,0,0|1,0,0]=3 3185 B17R2.556 COC(=O)COc1ccc2c(c1)NCCO2 34a_100020636358_100000747449 [0,1,0,1,0,0|2,0,0]=4 3186 B17R2.556 COC(=O)COc1ccc2c(c1)OCCO2 34a_100000234341_100000747449 [0,1,0,1,0,0|1,0,0]=3 3187 B17R2.556 COC(=O)CSc1ccc2c(c1)CCCO2 62a_100000747449_100011393166 [0,1,0,1,0,0|2,0,0]=4 3188 B17R2.556 COC(=O)CSc1ccc2c(c1)CCCO2 62a_100011393166_100000747449 [0,1,0,1,0,0|2,0,0]=4 3189 B17R2.556 COC(=O)CSc1ccc2c(c1)NCCO2 62a_100000747449_100000708519 [0,1,0,1,0,0|2,0,0]=4 3190 B17R2.556 COC(=O)CSc1ccc2c(c1)OCCC2 62a_100000747449_100010700467 [0,1,0,1,0,0|2,0,0]=4 3191 B17R2.556 COC(=O)CSc1ccc2c(c1)OCCC2 62a_100010700467_100000747449 [0,1,0,1,0,0|2,0,0]=4 3192 B17R2.556 COC(=O)CSc1ccc2c(c1)OCCN2 62a_100000747449_100012355470 [0,1,0,1,0,0|2,0,0]=4 3193 B17R2.556 COC(=O)CSc1ccc2c(c1)OCCO2 62a_100000747449_100011216881 [0,1,0,1,0,0|1,0,0]=3 3194 B17R2.556 COC(=O)CSc1ccc2c(c1)OCCO2 62a_100011216881_100000747449 [0,1,0,1,0,0|1,0,0]=3 3195 B17R2.556 O=C(CF)CSc1ccc2c(c1)OCCO2 1458a_100000179515_100015361967 [0,1,0,1,0,0|2,0,0]=4 3196 B17R2.556 O=C(CO)NCc1ccc2c(c1)OCCO2 240690a_100000684186_100000210174 [0,1,0,1,0,0|1,0,0]=3 3197 B17R2.556 O=C(CO)NCc1ccc2c(c1)OCCO2 527a_100000684186_100000210174 [0,1,0,1,0,0|1,0,0]=3 3198 B17R2.9740 CCOc1cc2oc(=O)ccc2cc1OC 7a_100000032626_100000210202 [0,1,0,1,0,0|0,0,2]=4 3199 B17R2.9740 COc1cc2ccc(=O)oc2cc1OCF 7a_100000032626_100015361967 [0,1,0,1,0,0|0,0,2]=4 3200 B17R2.289413 CC(=O)NCc1ccc2c(c1)OCCCO2 11a_100000750700_100015343762 [0,1,0,1,0,0|2,0,0]=4 3201 B17R2.289413 CC(=O)NCc1ccc2c(c1)OCCCO2 1626a_100000750700_100015343762 [0,1,0,1,0,0|2,0,0]=4 3202 B17R2.289413 CC(=O)NCc1ccc2c(c1)OCCCO2 240690a_100000750700_100015343762 [0,1,0,1,0,0|2,0,0]=4 3203 B17R2.289413 CC(=O)NCc1ccc2c(c1)OCCCO2 527a_100000750700_100103153847 [0,1,0,1,0,0|2,0,0]=4 3204 B17R2.289413 NC(=O)CNc1ccc2c(c1)OCCCO2 2230a_100000181267_100000747473 [0,1,0,1,0,0|2,0,0]=4 3205 B17R2.289413 NC(=O)CNc1ccc2c(c1)OCCCO2 34a_100000181267_100000187820 [0,1,0,1,0,0|2,0,0]=4 3206 B17R2.289413 NC(=O)CSc1ccc2c(c1)OCCCO2 62a_100000739260_100000747473 [0,1,0,1,0,0|2,0,0]=4 3207 B17R2.289413 NC(=O)CSc1ccc2c(c1)OCCCO2 62a_100000747473_100000739260 [0,1,0,1,0,0|2,0,0]=4 3208 B17R2.289413 O=C([O-])CNc1ccc2c(c1)OCCCO2 34a_100000181267_100020667443 [0,1,0,1,0,0|1,0,1]=4 3209 B17R2.289413 O=C([O-])CSc1ccc2c(c1)OCCCO2 62a_100000739260_100020667443 [0,1,0,1,0,0|1,0,1]=4 3210 B17R2.289413 O=C([O-])CSc1ccc2c(c1)OCCCO2 62a_100020667443_100000739260 [0,1,0,1,0,0|1,0,1]=4 3211 B17R2.5006 NC(=O)CNc1cc2c(cc1Cl)OCCO2 34a_100000739234_100000187820 [0,1,0,1,0,0|2,0,0]=4 3212 B17R2.5006 O=C([O-])CNc1cc2c(cc1Cl)OCCO2 34a_100000739234_100020667443 [0,1,0,1,0,0|1,0,1]=4 3213 B17R2.155580 Cc1c(ccc2c1OCCO2)SCC(=O)N 62a_100000747473_100010072848 [0,1,0,1,0,0|2,0,0]=4 3214 B17R2.155580 Cc1c(ccc2c1OCCO2)SCC(=O)N 62a_100010072848_100000747473 [0,1,0,1,0,0|2,0,0]=4 3215 B17R2.155580 Cc1c(ccc2c1OCCO2)SCC(=O)[O-] 62a_100010072848_100020667443 [0,1,0,1,0,0|1,0,1]=4 3216 B17R2.155580 Cc1c(ccc2c1OCCO2)SCC(=O)[O-] 62a_100020667443_100010072848 [0,1,0,1,0,0|1,0,1]=4 3217 B13R1.52 CC(=O)Cc1ccc(c(c1)S[13CH3])O 62a_100010141077_200025704644 [1,0,0,0,1,0|1,1,0]=4 3218 B13R1.52 CC(=O)Cc1ccc(c(c1)S[13CH3])O 62a_200025704644_100010141077 [1,0,0,0,1,0|1,1,0]=4 3219 B13R1.52 COc1cc(ccc1Br)CC(=O)C 1458a_100000070787_100010110085 [1,0,0,0,1,0|2,0,0]=4 3220 B13R1.52 COc1cc(ccc1Br)CC(=O)C 1458a_200010002685_200000210301 [1,0,0,0,1,0|2,0,0]=4 3221 B13R1.52 COc1cc(ccc1Br)CC(=O)[13CH3] 1458a_200010002685_200025704644 [1,0,0,0,1,0|2,0,0]=4 3222 B13R1.52 COc1cc(ccc1C)NC(=O)C 11a_100011279678_100015343762 [1,0,0,0,1,0|2,0,0]=4 3223 B13R1.52 COc1cc(ccc1C)NC(=O)C 1626a_100011279678_100015343762 [1,0,0,0,1,0|2,0,0]=4 3224 B13R1.52 COc1cc(ccc1C)NC(=O)C 22a_100011279678_100000070787 [1,0,0,0,1,0|2,0,0]=4 3225 B13R1.52 COc1cc(ccc1C)NC(=O)C 527a_100011279678_100103153847 [1,0,0,0,1,0|2,0,0]=4 3226 B13R1.52 COc1cc(ccc1Cl)CC(=O)C 1458a_100000070787_200010214485 [1,0,0,0,1,0|2,0,0]=4 3227 B13R1.52 COc1cc(ccc1F)CC(=O)C 1458a_100000070787_100012349856 [1,0,0,0,1,0|2,0,0]=4 3228 B13R1.52 COc1cc(ccc1F)CC(=O)C 1458a_100000117344_200000210301 [1,0,0,0,1,0|2,0,0]=4 3229 B13R1.52 COc1cc(ccc1F)CC(=O)[13CH3] 1458a_100000117344_200025704644 [1,0,0,0,1,0|2,0,0]=4 3230 B13R1.52 COc1cc(ccc1O)CC(=O)C 1458a_100000032101_200000210301 [1,0,0,0,1,0|1,0,0]=3 3231 B13R1.52 COc1cc(ccc1O)CC(=O)[13CH3] 1458a_100000032101_200025704644 [1,0,0,0,1,0|1,0,0]=3 3232 B13R1.52 COc1cc(ccc1O)NC(=O)C 22a_100000726020_100000070787 [1,0,0,0,1,0|2,0,0]=4 3233 B13R1.52 COc1cc(ccc1O)NC(=O)C 527a_100000726020_100103153847 [1,0,0,0,1,0|2,0,0]=4 3234 B13R1.52 CSc1cc(ccc1O)CC(=O)C 62a_100010141077_200000210301 [1,0,0,0,1,0|1,1,0]=4 3235 B13R1.52 CSc1cc(ccc1O)CC(=O)C 62a_200000210301_100010141077 [1,0,0,0,1,0|1,1,0]=4 3236 B13R1.35 CC(=O)Cc1ccc(c(c1)Br)O[13CH3] 34a_100010141077_200025704644 [1,0,0,0,1,0|2,0,0]=4 3237 B13R1.35 CC(=O)Cc1ccc(c(c1)Br)O[13CH3] 7a_100010141077_200025704644 [1,0,0,0,1,0|2,0,0]=4 3238 B13R1.35 CC(=O)Cc1ccc(c(c1)C)O[13CH3] 34a_200000080089_200025704644 [1,0,0,0,1,0|1,0,0]=3 3239 B13R1.35 CC(=O)Cc1ccc(c(c1)C)O[13CH3] 7a_200000080089_200025704644 [1,0,0,0,1,0|1,0,0]=3 3240 B13R1.35 CC(=O)Cc1ccc(c(c1)Cl)O[13CH3] 34a_200000080078_200025704644 [1,0,0,0,1,0|2,0,0]=4 3241 B13R1.35 CC(=O)Cc1ccc(c(c1)Cl)O[13CH3] 7a_200000080078_200025704644 [1,0,0,0,1,0|2,0,0]=4 3242 B13R1.35 CC(=O)Nc1ccc(c(c1)C)O[13CH3] 34a_100012186693_200025704644 [1,0,0,0,1,0|2,0,0]=4 3243 B13R1.35 CC(=O)Nc1ccc(c(c1)C)O[13CH3] 7a_100012186693_200025704644 [1,0,0,0,1,0|2,0,0]=4 3244 B13R1.35 COc1ccc(cc1Br)CC(=O)C 1458a_100000070787_200011397701 [1,0,0,0,1,0|2,0,0]=4 3245 B13R1.35 COc1ccc(cc1Br)CC(=O)C 1458a_100011202338_200000210301 [1,0,0,0,1,0|2,0,0]=4 3246 B13R1.35 COc1ccc(cc1Br)CC(=O)C 34a_100010141077_200000210301 [1,0,0,0,1,0|2,0,0]=4 3247 B13R1.35 COc1ccc(cc1Br)CC(=O)C 7a_100010141077_200000210301 [1,0,0,0,1,0|2,0,0]=4 3248 B13R1.35 COc1ccc(cc1Br)CC(=O)[13CH3] 1458a_100011202338_200025704644 [1,0,0,0,1,0|2,0,0]=4 3249 B13R1.35 COc1ccc(cc1C)CC(=O)C 1458a_100000070787_200011290836 [1,0,0,0,1,0|1,0,0]=3 3250 B13R1.35 COc1ccc(cc1C)CC(=O)C 1458a_100011356478_200000210301 [1,0,0,0,1,0|1,0,0]=3 3251 B13R1.35 COc1ccc(cc1C)CC(=O)C 34a_200000080089_200000210301 [1,0,0,0,1,0|1,0,0]=3 3252 B13R1.35 COc1ccc(cc1C)CC(=O)C 7a_200000080089_200000210301 [1,0,0,0,1,0|1,0,0]=3 3253 B13R1.35 COc1ccc(cc1C)CC(=O)[13CH3] 1458a_100011356478_200025704644 [1,0,0,0,1,0|1,0,0]=3 3254 B13R1.35 COc1ccc(cc1C)NC(=O)C 11a_100000743268_100015343762 [1,0,0,0,1,0|2,0,0]=4 3255 B13R1.35 COc1ccc(cc1C)NC(=O)C 1626a_100000743268_100015343762 [1,0,0,0,1,0|2,0,0]=4 3256 B13R1.35 COc1ccc(cc1C)NC(=O)C 22a_100000743268_100000070787 [1,0,0,0,1,0|2,0,0]=4 3257 B13R1.35 COc1ccc(cc1C)NC(=O)C 34a_100012186693_200000210301 [1,0,0,0,1,0|2,0,0]=4 3258 B13R1.35 COc1ccc(cc1C)NC(=O)C 527a_100000743268_100103153847 [1,0,0,0,1,0|2,0,0]=4 3259 B13R1.35 COc1ccc(cc1C)NC(=O)C 7a_100012186693_200000210301 [1,0,0,0,1,0|2,0,0]=4 3260 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 1458a_100000070787_100000693707 [1,0,0,0,1,0|2,0,0]=4 3261 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 1458a_100012026953_200000210301 [1,0,0,0,1,0|2,0,0]=4 3262 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 34a_200000080078_200000210301 [1,0,0,0,1,0|2,0,0]=4 3263 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 7a_200000080078_200000210301 [1,0,0,0,1,0|2,0,0]=4 3264 B13R1.35 COc1ccc(cc1Cl)CC(=O)[13CH3] 1458a_100012026953_200025704644 [1,0,0,0,1,0|2,0,0]=4 3265 B13R1.35 COc1ccc(cc1F)CC(=O)C 1458a_100000070787_100000189595 [1,0,0,0,1,0|2,0,0]=4 3266 B13R1.35 COc1ccc(cc1F)CC(=O)C 1458a_100000204603_200000210301 [1,0,0,0,1,0|2,0,0]=4 3267 B13R1.35 COc1ccc(cc1F)CC(=O)[13CH3] 1458a_100000204603_200025704644 [1,0,0,0,1,0|2,0,0]=4 3268 B13R1.35 COc1ccc(cc1O)CC(=O)C 1458a_100000049095_200000210301 [1,0,0,0,1,0|1,0,0]=3 3269 B13R1.35 COc1ccc(cc1O)CC(=O)C 271570a_203496583355_100011493462 [1,0,0,0,1,0|1,0,0]=3 3270 B13R1.35 COc1ccc(cc1O)CC(=O)[13CH3] 1458a_100000049095_200025704644 [1,0,0,0,1,0|1,0,0]=3 3271 B13R1.35 COc1ccc(cc1O)NC(=O)C 22a_100000211920_100000070787 [1,0,0,0,1,0|2,0,0]=4 3272 B13R1.35 COc1ccc(cc1O)NC(=O)C 527a_100000211920_100103153847 [1,0,0,0,1,0|2,0,0]=4 3273 B13R1.3091 C=C(C)c1ccc(c(c1)OC)OC 271570a_100000694244_100000187503 [0,0,0,0,2,0|2,0,0]=4 3274 B13R1.3091 CNc1cc(ccc1OC)C(=O)N 34a_100000740584_200000210301 [0,0,0,0,2,0|2,0,0]=4 3275 B13R1.3091 CNc1ccc(cc1OC)C(=O)N 27a_100102657272_100009817049 [0,0,0,0,2,0|2,0,0]=4 3276 B13R1.3091 CNc1ccc(cc1OC)C(=O)N 34a_100011850419_200000210301 [0,0,0,0,2,0|2,0,0]=4 3277 B13R1.3091 COc1cc(ccc1N[13CH3])C(=O)N 34a_100011850419_200025704644 [0,0,0,0,2,0|2,0,0]=4 3278 B13R1.3091 COc1cc(ccc1O[13CH3])C(=O)C 34a_100000186468_200025704644 [0,0,0,0,2,0|1,0,0]=3 3279 B13R1.3091 COc1cc(ccc1O[13CH3])C(=O)C 7a_100000186468_200025704644 [0,0,0,0,2,0|1,0,0]=3 3280 B13R1.3091 COc1cc(ccc1O[13CH3])C(C)O 34a_100000246512_200025704644 [0,0,0,0,2,0|1,0,1]=4 3281 B13R1.3091 COc1cc(ccc1O[13CH3])C(C)O 7a_100000246512_200025704644 [0,0,0,0,2,0|1,0,1]=4 3282 B13R1.3091 COc1cc(ccc1O[13CH3])[N+](=O)[O-] 34a_100000742293_200025704644 [0,0,0,0,2,0|1,0,1]=4 3283 B13R1.3091 COc1cc(ccc1O[13CH3])[N+](=O)[O-] 7a_100000742293_200025704644 [0,0,0,0,2,0|1,0,1]=4 3284 B13R1.3091 COc1cc(ccc1SC)C(=O)C 62a_100010110075_200000210301 [0,0,0,0,2,0|1,1,0]=4 3285 B13R1.3091 COc1cc(ccc1SC)C(=O)N 62a_100009817049_200000210301 [0,0,0,0,2,0|1,1,0]=4 3286 B13R1.3091 COc1cc(ccc1S[13CH3])C(=O)C 62a_100010110075_200025704644 [0,0,0,0,2,0|1,1,0]=4 3287 B13R1.3091 COc1cc(ccc1S[13CH3])C(=O)N 62a_100009817049_200025704644 [0,0,0,0,2,0|1,1,0]=4 3288 B13R1.3091 COc1ccc(cc1N[13CH3])C(=O)N 34a_100000740584_200025704644 [0,0,0,0,2,0|2,0,0]=4 3289 B13R1.3091 COc1ccc(cc1OC)C(=O)C 1458a_100000211223_200000210301 [0,0,0,0,2,0|1,0,0]=3 3290 B13R1.3091 COc1ccc(cc1OC)C(=O)C 34a_100000186468_200000210301 [0,0,0,0,2,0|1,0,0]=3 3291 B13R1.3091 COc1ccc(cc1OC)C(=O)C 34a_100000732934_200000210301 [0,0,0,0,2,0|1,0,0]=3 3292 B13R1.3091 COc1ccc(cc1OC)C(=O)C 7a_100000186468_200000210301 [0,0,0,0,2,0|1,0,0]=3 3293 B13R1.3091 COc1ccc(cc1OC)C(=O)C 7a_100000732934_200000210301 [0,0,0,0,2,0|1,0,0]=3 3294 B13R1.3091 COc1ccc(cc1OC)C(=O)[13CH3] 1458a_100000211223_200025704644 [0,0,0,0,2,0|1,0,0]=3 3295 B13R1.3091 COc1ccc(cc1OC)C(C)O 34a_100000246512_200000210301 [0,0,0,0,2,0|1,0,1]=4 3296 B13R1.3091 COc1ccc(cc1OC)C(C)O 7a_100000246512_200000210301 [0,0,0,0,2,0|1,0,1]=4 3297 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 34a_100000211812_200000210301 [0,0,0,0,2,0|1,0,1]=4 3298 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 34a_100000742293_200000210301 [0,0,0,0,2,0|1,0,1]=4 3299 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 7a_100000211812_200000210301 [0,0,0,0,2,0|1,0,1]=4 3300 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 7a_100000742293_200000210301 [0,0,0,0,2,0|1,0,1]=4 3301 B13R1.3091 COc1ccc(cc1O[13CH3])C(=O)C 34a_100000732934_200025704644 [0,0,0,0,2,0|1,0,0]=3 3302 B13R1.3091 COc1ccc(cc1O[13CH3])C(=O)C 7a_100000732934_200025704644 [0,0,0,0,2,0|1,0,0]=3 3303 B13R1.3091 COc1ccc(cc1O[13CH3])[N+](=O)[O-] 34a_100000211812_200025704644 [0,0,0,0,2,0|1,0,1]=4 3304 B13R1.3091 COc1ccc(cc1O[13CH3])[N+](=O)[O-] 7a_100000211812_200025704644 [0,0,0,0,2,0|1,0,1]=4 3305 B13R1.3091 COc1ccc(cc1SC)C(=O)C 62a_100000185153_200000210301 [0,0,0,0,2,0|1,1,0]=4 3306 B13R1.3091 COc1ccc(cc1SC)C(=O)C 62a_200000210301_100000039561 [0,0,0,0,2,0|1,1,0]=4 3307 B13R1.3091 COc1ccc(cc1S[13CH3])C(=O)C 62a_100000185153_200025704644 [0,0,0,0,2,0|1,1,0]=4 3308 B13R1.3091 COc1ccc(cc1S[13CH3])C(=O)C 62a_200025704644_100000039561 [0,0,0,0,2,0|1,1,0]=4 3309 B15R1.3778 C=C(C)CCNc1ccc(c(c1)C)OC 2230a_100000743268_100000730704 [1,0,0,0,0,1|2,0,0]=4 3310 B15R1.3778 C=C(C)CCNc1ccc(c(c1)C)OC 34a_100000743268_100000730704 [1,0,0,0,0,1|2,0,0]=4 3311 B15R1.3778 C=C(C)CCNc1ccc(c(c1)C)OC 7a_100000743268_100000730704 [1,0,0,0,0,1|2,0,0]=4 3312 B15R1.3778 C=C(C)CCNc1ccc(c(c1)O)OC 34a_100000211920_100000730704 [1,0,0,0,0,1|2,0,0]=4 3313 B15R1.3778 C=C(C)CCOc1ccc(c(c1)C)OC 34a_100000759738_100000730704 [1,0,0,0,0,1|2,0,0]=4 3314 B15R1.3778 C=C(C)CCOc1ccc(c(c1)C)OC 7a_100000759738_100000730704 [1,0,0,0,0,1|2,0,0]=4 3315 B15R1.3778 C=C(C)CCSc1ccc(c(c1)C)OC 62a_100000730704_100011219705 [1,0,0,0,0,1|2,0,0]=4 3316 B15R1.3778 C=C(C)CCSc1ccc(c(c1)C)OC 62a_100011219705_100000730704 [1,0,0,0,0,1|2,0,0]=4 3317 B15R1.3778 C=C(C)CCSc1ccc(c(c1)O)OC 62a_100000730704_100009816560 [1,0,0,0,0,1|2,0,0]=4 3318 B15R1.3778 C=C(C)CNCc1ccc(c(c1)C)OC 2230a_100102679029_100000748629 [1,0,0,0,0,1|2,0,0]=4 3319 B15R1.3778 C=C(C)CNCc1ccc(c(c1)C)OC 34a_100102679029_100000748629 [1,0,0,0,0,1|2,0,0]=4 3320 B15R1.3778 C=C(C)CNCc1ccc(c(c1)O)OC 34a_100000740000_100000748629 [1,0,0,0,0,1|2,0,0]=4 3321 B15R1.3778 C=C(C)COCc1ccc(c(c1)C)OC 34a_100000210245_200011290836 [1,0,0,0,0,1|2,0,0]=4 3322 B15R1.3778 C=C(C)COCc1ccc(c(c1)C)OC 34a_200011290855_100000748629 [1,0,0,0,0,1|2,0,0]=4 3323 B15R1.3778 C=C(C)COCc1ccc(c(c1)C)OC 7a_200011290855_100000748629 [1,0,0,0,0,1|2,0,0]=4 3324 B15R1.3778 C=C(C)CSCc1ccc(c(c1)C)OC 62a_100000748629_200011290836 [1,0,0,0,0,1|2,0,0]=4 3325 B15R1.3778 C=C(C)CSCc1ccc(c(c1)C)OC 62a_200011290836_100000211660 [1,0,0,0,0,1|2,0,0]=4 3326 B15R1.3778 C=C(F)CNCc1ccc(c(c1)C)OC 2230a_100102679029_100009893438 [1,0,0,0,0,1|2,0,0]=4 3327 B15R1.3778 C=C(F)CNCc1ccc(c(c1)C)OC 34a_100102679029_100009893438 [1,0,0,0,0,1|2,0,0]=4 3328 B15R1.3778 C=C(F)CNCc1ccc(c(c1)O)OC 34a_100000740000_100009893438 [1,0,0,0,0,1|2,0,0]=4 3329 B15R1.3778 C=C(F)COCc1ccc(c(c1)C)OC 34a_200010262243_200011290836 [1,0,0,0,0,1|2,0,0]=4 3330 B15R1.3778 C=C(F)COCc1ccc(c(c1)C)OC 34a_200011290855_100009893438 [1,0,0,0,0,1|2,0,0]=4 3331 B15R1.3778 C=C(F)COCc1ccc(c(c1)C)OC 7a_200011290855_100000042424 [1,0,0,0,0,1|2,0,0]=4 3332 B15R1.3778 C=C(F)CSCc1ccc(c(c1)C)OC 62a_100000042424_200011290836 [1,0,0,0,0,1|2,0,0]=4 3333 B15R1.3778 C=C(F)CSCc1ccc(c(c1)C)OC 62a_200011290836_100000042424 [1,0,0,0,0,1|2,0,0]=4 3334 B15R1.3778 CNc1ccc(cc1C)OCCC(=O)C 7a_100161107805_100000053229 [1,0,0,0,0,1|2,0,0]=4 3335 B15R1.3778 CNc1ccc(cc1C)OCCC(=O)N 34a_100161107805_100000731001 [1,0,0,0,0,1|2,0,0]=4 3336 B15R1.3778 CNc1ccc(cc1C)OCCC(=O)N 7a_100161107805_100000744528 [1,0,0,0,0,1|2,0,0]=4 3337 B15R1.3778 CNc1ccc(cc1C)SCCC(=O)C 62a_100000053229_100000221803 [1,0,0,0,0,1|2,0,0]=4 3338 B15R1.3778 CNc1ccc(cc1C)SCCC(=O)C 62a_100000221803_100000053229 [1,0,0,0,0,1|2,0,0]=4 3339 B15R1.3778 CNc1ccc(cc1C)SCCC(=O)N 62a_100000221803_100000744528 [1,0,0,0,0,1|2,0,0]=4 3340 B15R1.3778 CNc1ccc(cc1C)SCCC(=O)N 62a_100000744528_100000221803 [1,0,0,0,0,1|2,0,0]=4 3341 B15R1.3778 COc1ccc(cc1Br)CCNC(=O)C 11a_103549771065_100015343762 [1,0,0,0,0,1|2,0,0]=4 3342 B15R1.3778 COc1ccc(cc1Br)CCNC(=O)C 1626a_103549771065_100015343762 [1,0,0,0,0,1|2,0,0]=4 3343 B15R1.3778 COc1ccc(cc1Br)CCNC(=O)C 240690a_103549771065_100015343762 [1,0,0,0,0,1|2,0,0]=4 3344 B15R1.3778 COc1ccc(cc1Br)CCNC(=O)C 527a_103549771065_100103153847 [1,0,0,0,0,1|2,0,0]=4 3345 B15R1.3778 COc1ccc(cc1Br)CNCC(=O)N 2230a_100000711301_200011397701 [1,0,0,0,0,1|2,0,0]=4 3346 B15R1.3778 COc1ccc(cc1Br)CNCC(=O)N 34a_100159240714_100000187820 [1,0,0,0,0,1|2,0,0]=4 3347 B15R1.3778 COc1ccc(cc1Br)CNCC(=O)O 269956a_100016091260_200011397701 [1,0,0,0,0,1|1,0,0]=3 3348 B15R1.3778 COc1ccc(cc1Br)CNCC(=O)[O-] 34a_100159240714_100020667443 [1,0,0,0,0,1|1,0,1]=4 3349 B15R1.3778 COc1ccc(cc1Br)COCC(=O)C 34a_100000211253_200011397701 [1,0,0,0,0,1|2,0,0]=4 3350 B15R1.3778 COc1ccc(cc1Br)COCC(=O)N 34a_100000246451_100000187820 [1,0,0,0,0,1|2,0,0]=4 3351 B15R1.3778 COc1ccc(cc1Br)COCC(=O)N 7a_100000246451_100000187820 [1,0,0,0,0,1|2,0,0]=4 3352 B15R1.3778 COc1ccc(cc1Br)COCC(=O)[O-] 34a_100000246451_100020667443 [1,0,0,0,0,1|1,0,1]=4 3353 B15R1.3778 COc1ccc(cc1Br)CSCC(=O)N 62a_100000747473_200011397701 [1,0,0,0,0,1|2,0,0]=4 3354 B15R1.3778 COc1ccc(cc1Br)CSCC(=O)N 62a_200011397701_100000747473 [1,0,0,0,0,1|2,0,0]=4 3355 B15R1.3778 COc1ccc(cc1Br)CSCC(=O)[O-] 62a_100020667443_200011397701 [1,0,0,0,0,1|1,0,1]=4 3356 B15R1.3778 COc1ccc(cc1Br)CSCC(=O)[O-] 62a_200011397701_100020667443 [1,0,0,0,0,1|1,0,1]=4 3357 B15R1.3778 COc1ccc(cc1Br)NCCC(=O)N 34a_100000187427_100000731001 [1,0,0,0,0,1|2,0,0]=4 3358 B15R1.3778 COc1ccc(cc1Br)OCCC(=O)C 7a_100010234764_100000053229 [1,0,0,0,0,1|2,0,0]=4 3359 B15R1.3778 COc1ccc(cc1Br)OCCC(=O)N 34a_100010234764_100000731001 [1,0,0,0,0,1|2,0,0]=4 3360 B15R1.3778 COc1ccc(cc1Br)OCCC(=O)N 7a_100010234764_100000744528 [1,0,0,0,0,1|2,0,0]=4 3361 B15R1.3778 COc1ccc(cc1Br)SCCC(=O)C 62a_100000053229_100011249507 [1,0,0,0,0,1|2,0,0]=4 3362 B15R1.3778 COc1ccc(cc1Br)SCCC(=O)C 62a_100011249507_100000053229 [1,0,0,0,0,1|2,0,0]=4 3363 B15R1.3778 COc1ccc(cc1Br)SCCC(=O)N 62a_100000744528_100011249507 [1,0,0,0,0,1|2,0,0]=4 3364 B15R1.3778 COc1ccc(cc1Br)SCCC(=O)N 62a_100011249507_100000744528 [1,0,0,0,0,1|2,0,0]=4 3365 B15R1.3778 COc1ccc(cc1C)CNCC(=O)N 2230a_100000711301_200011290836 [1,0,0,0,0,1|1,0,0]=3 3366 B15R1.3778 COc1ccc(cc1C)CNCC(=O)N 2230a_100102679029_100000747473 [1,0,0,0,0,1|1,0,0]=3 3367 B15R1.3778 COc1ccc(cc1C)CNCC(=O)N 34a_100102679029_100000187820 [1,0,0,0,0,1|1,0,0]=3 3368 B15R1.3778 COc1ccc(cc1C)CNCC(=O)O 269956a_100016091260_200011290836 [1,0,0,0,0,1|0,0,0]=2 3369 B15R1.3778 COc1ccc(cc1C)CNCC(=O)[O-] 34a_100102679029_100020667443 [1,0,0,0,0,1|0,0,1]=3 3370 B15R1.3778 COc1ccc(cc1C)CNCC(C)O 207a_100000210904_100000239718 [1,0,0,0,0,1|1,0,1]=4 3371 B15R1.3778 COc1ccc(cc1C)CNCC(C)O 2230a_100000210904_200011290836 [1,0,0,0,0,1|1,0,1]=4 3372 B15R1.3778 COc1ccc(cc1C)CNCC(C)O 2230a_100102679029_100011218427 [1,0,0,0,0,1|1,0,1]=4 3373 B15R1.3778 COc1ccc(cc1C)CNCC(C)O 270004a_100000210904_100000239718 [1,0,0,0,0,1|1,0,1]=4 3374 B15R1.3778 COc1ccc(cc1C)CNCC(C)O 34a_100000210904_200011290836 [1,0,0,0,0,1|1,0,1]=4 3375 B15R1.3778 COc1ccc(cc1C)CNCC(C)O 34a_100102679029_100011218427 [1,0,0,0,0,1|1,0,1]=4 3376 B15R1.3778 COc1ccc(cc1C)CNC[C@@H](C)O 2230a_100102679029_100009817552 [1,0,0,0,0,1|1,0,1]=4 3377 B15R1.3778 COc1ccc(cc1C)CNC[C@@H](C)O 34a_100102679029_100009817552 [1,0,0,0,0,1|1,0,1]=4 3378 B15R1.3778 COc1ccc(cc1C)CNC[N+](=O)[O-] 34a_100102679029_100000761209 [1,0,0,0,0,1|1,0,1]=4 3379 B15R1.3778 COc1ccc(cc1C)COCC(=O)C 34a_100000211253_200011290836 [1,0,0,0,0,1|1,0,0]=3 3380 B15R1.3778 COc1ccc(cc1C)COCC(=O)N 34a_200011290855_100000187820 [1,0,0,0,0,1|1,0,0]=3 3381 B15R1.3778 COc1ccc(cc1C)COCC(=O)N 7a_200011290855_100000187820 [1,0,0,0,0,1|1,0,0]=3 3382 B15R1.3778 COc1ccc(cc1C)COCC(=O)[O-] 34a_200011290855_100020667443 [1,0,0,0,0,1|0,0,1]=3 3383 B15R1.3778 COc1ccc(cc1C)COCC(C)O 34a_200011290855_100011218427 [1,0,0,0,0,1|1,0,1]=4 3384 B15R1.3778 COc1ccc(cc1C)COCC(C)O 7a_200011290855_100011218427 [1,0,0,0,0,1|1,0,1]=4 3385 B15R1.3778 COc1ccc(cc1C)COC[C@@H](C)O 34a_200011290855_100009817552 [1,0,0,0,0,1|1,0,1]=4 3386 B15R1.3778 COc1ccc(cc1C)COC[C@@H](C)O 7a_200011290855_100009817552 [1,0,0,0,0,1|1,0,1]=4 3387 B15R1.3778 COc1ccc(cc1C)COC[N+](=O)[O-] 34a_200011290855_100000761209 [1,0,0,0,0,1|1,0,1]=4 3388 B15R1.3778 COc1ccc(cc1C)CSCC(=O)N 62a_100000747473_200011290836 [1,0,0,0,0,1|1,0,0]=3 3389 B15R1.3778 COc1ccc(cc1C)CSCC(=O)N 62a_200011290836_100000747473 [1,0,0,0,0,1|1,0,0]=3 3390 B15R1.3778 COc1ccc(cc1C)CSCC(=O)[O-] 62a_100020667443_200011290836 [1,0,0,0,0,1|0,0,1]=3 3391 B15R1.3778 COc1ccc(cc1C)CSCC(=O)[O-] 62a_200011290836_100020667443 [1,0,0,0,0,1|0,0,1]=3 3392 B15R1.3778 COc1ccc(cc1C)CSCC(C)O 62a_100011218427_200011290836 [1,0,0,0,0,1|1,0,1]=4 3393 B15R1.3778 COc1ccc(cc1C)CSCC(C)O 62a_200011290836_100011218427 [1,0,0,0,0,1|1,0,1]=4 3394 B15R1.3778 COc1ccc(cc1C)CSC[C@@H](C)O 62a_100009817552_200011290836 [1,0,0,0,0,1|1,0,1]=4 3395 B15R1.3778 COc1ccc(cc1C)CSC[C@@H](C)O 62a_200011290836_100009817552 [1,0,0,0,0,1|1,0,1]=4 3396 B15R1.3778 COc1ccc(cc1C)CSC[N+](=O)[O-] 62a_200011290836_100000761209 [1,0,0,0,0,1|1,0,1]=4 3397 B15R1.3778 COc1ccc(cc1C)NCCC(=O)C 7a_100000743268_100000053229 [1,0,0,0,0,1|1,0,0]=3 3398 B15R1.3778 COc1ccc(cc1C)NCCC(=O)N 2230a_100000743268_100000744528 [1,0,0,0,0,1|1,0,0]=3 3399 B15R1.3778 COc1ccc(cc1C)NCCC(=O)N 34a_100000743268_100000731001 [1,0,0,0,0,1|1,0,0]=3 3400 B15R1.3778 COc1ccc(cc1C)NCCC(=O)N 7a_100000743268_100000744528 [1,0,0,0,0,1|1,0,0]=3 3401 B15R1.3778 COc1ccc(cc1C)NCCC(C)O 2230a_100000743268_100012276601 [1,0,0,0,0,1|1,0,1]=4 3402 B15R1.3778 COc1ccc(cc1C)NCCC(C)O 34a_100000743268_100012276601 [1,0,0,0,0,1|1,0,1]=4 3403 B15R1.3778 COc1ccc(cc1C)NCCC(C)O 7a_100000743268_100012276601 [1,0,0,0,0,1|1,0,1]=4 3404 B15R1.3778 COc1ccc(cc1C)NCOC(=O)C 34a_100000743268_100009813279 [1,0,0,0,0,1|2,0,0]=4 3405 B15R1.3778 COc1ccc(cc1C)OCCC(=O)C 7a_100000759738_100000053229 [1,0,0,0,0,1|1,0,0]=3 3406 B15R1.3778 COc1ccc(cc1C)OCCC(=O)N 34a_100000759738_100000731001 [1,0,0,0,0,1|1,0,0]=3 3407 B15R1.3778 COc1ccc(cc1C)OCCC(=O)N 7a_100000759738_100000744528 [1,0,0,0,0,1|1,0,0]=3 3408 B15R1.3778 COc1ccc(cc1C)OCCC(C)O 34a_100000759738_100012276601 [1,0,0,0,0,1|1,0,1]=4 3409 B15R1.3778 COc1ccc(cc1C)OCCC(C)O 7a_100000759738_100012276601 [1,0,0,0,0,1|1,0,1]=4 3410 B15R1.3778 COc1ccc(cc1C)OCOC(=O)C 34a_100000759738_100009813279 [1,0,0,0,0,1|2,0,0]=4 3411 B15R1.3778 COc1ccc(cc1C)SCCC(=O)C 62a_100000053229_100011219705 [1,0,0,0,0,1|1,0,0]=3 3412 B15R1.3778 COc1ccc(cc1C)SCCC(=O)C 62a_100011219705_100000053229 [1,0,0,0,0,1|1,0,0]=3 3413 B15R1.3778 COc1ccc(cc1C)SCCC(=O)N 62a_100000744528_100011219705 [1,0,0,0,0,1|1,0,0]=3 3414 B15R1.3778 COc1ccc(cc1C)SCCC(=O)N 62a_100011219705_100000744528 [1,0,0,0,0,1|1,0,0]=3 3415 B15R1.3778 COc1ccc(cc1C)SCCC(C)O 62a_100011219705_100012276601 [1,0,0,0,0,1|1,0,1]=4 3416 B15R1.3778 COc1ccc(cc1C)SCCC(C)O 62a_100012276601_100011219705 [1,0,0,0,0,1|1,0,1]=4 3417 B15R1.3778 COc1ccc(cc1C)SCOC(=O)C 62a_100000076356_100011219705 [1,0,0,0,0,1|2,0,0]=4 3418 B15R1.3778 COc1ccc(cc1C)SCOC(=O)C 62a_100011219705_100000076356 [1,0,0,0,0,1|2,0,0]=4 3419 B15R1.3778 COc1ccc(cc1Cl)CCNC(=O)C 11a_100025770840_100015343762 [1,0,0,0,0,1|2,0,0]=4 3420 B15R1.3778 COc1ccc(cc1Cl)CCNC(=O)C 1626a_100025770840_100015343762 [1,0,0,0,0,1|2,0,0]=4 3421 B15R1.3778 COc1ccc(cc1Cl)CCNC(=O)C 240690a_100025770840_100015343762 [1,0,0,0,0,1|2,0,0]=4 3422 B15R1.3778 COc1ccc(cc1Cl)CCNC(=O)C 527a_100025770840_100103153847 [1,0,0,0,0,1|2,0,0]=4 3423 B15R1.3778 COc1ccc(cc1Cl)CNCC(=O)N 2230a_100000008799_100000747473 [1,0,0,0,0,1|2,0,0]=4 3424 B15R1.3778 COc1ccc(cc1Cl)CNCC(=O)N 2230a_100000711301_100000693707 [1,0,0,0,0,1|2,0,0]=4 3425 B15R1.3778 COc1ccc(cc1Cl)CNCC(=O)N 34a_100000008799_100000187820 [1,0,0,0,0,1|2,0,0]=4 3426 B15R1.3778 COc1ccc(cc1Cl)CNCC(=O)O 269956a_100016091260_100000693707 [1,0,0,0,0,1|1,0,0]=3 3427 B15R1.3778 COc1ccc(cc1Cl)CNCC(=O)[O-] 34a_100000008799_100020667443 [1,0,0,0,0,1|1,0,1]=4 3428 B15R1.3778 COc1ccc(cc1Cl)COCC(=O)C 34a_100000211253_100000693707 [1,0,0,0,0,1|2,0,0]=4 3429 B15R1.3778 COc1ccc(cc1Cl)COCC(=O)N 34a_100000694469_100000187820 [1,0,0,0,0,1|2,0,0]=4 3430 B15R1.3778 COc1ccc(cc1Cl)COCC(=O)N 7a_100000694469_100000187820 [1,0,0,0,0,1|2,0,0]=4 3431 B15R1.3778 COc1ccc(cc1Cl)COCC(=O)[O-] 34a_100000694469_100020667443 [1,0,0,0,0,1|1,0,1]=4 3432 B15R1.3778 COc1ccc(cc1Cl)CSCC(=O)N 62a_100000693707_100000747473 [1,0,0,0,0,1|2,0,0]=4 3433 B15R1.3778 COc1ccc(cc1Cl)CSCC(=O)N 62a_100000747473_100000693707 [1,0,0,0,0,1|2,0,0]=4 3434 B15R1.3778 COc1ccc(cc1Cl)CSCC(=O)[O-] 62a_100000693707_100020667443 [1,0,0,0,0,1|1,0,1]=4 3435 B15R1.3778 COc1ccc(cc1Cl)CSCC(=O)[O-] 62a_100020667443_100000693707 [1,0,0,0,0,1|1,0,1]=4 3436 B15R1.3778 COc1ccc(cc1Cl)NCCC(=O)N 2230a_100000211044_100000744528 [1,0,0,0,0,1|2,0,0]=4 3437 B15R1.3778 COc1ccc(cc1Cl)NCCC(=O)N 34a_100000211044_100000731001 [1,0,0,0,0,1|2,0,0]=4 3438 B15R1.3778 COc1ccc(cc1Cl)OCCC(=O)C 7a_200009861682_100000053229 [1,0,0,0,0,1|2,0,0]=4 3439 B15R1.3778 COc1ccc(cc1Cl)OCCC(=O)N 34a_200009861682_100000731001 [1,0,0,0,0,1|2,0,0]=4 3440 B15R1.3778 COc1ccc(cc1Cl)OCCC(=O)N 7a_200009861682_100000744528 [1,0,0,0,0,1|2,0,0]=4 3441 B15R1.3778 COc1ccc(cc1Cl)SCCC(=O)C 62a_100000053229_100012355395 [1,0,0,0,0,1|2,0,0]=4 3442 B15R1.3778 COc1ccc(cc1Cl)SCCC(=O)C 62a_100012355395_100000053229 [1,0,0,0,0,1|2,0,0]=4 3443 B15R1.3778 COc1ccc(cc1Cl)SCCC(=O)N 62a_100000744528_100012355395 [1,0,0,0,0,1|2,0,0]=4 3444 B15R1.3778 COc1ccc(cc1Cl)SCCC(=O)N 62a_100012355395_100000744528 [1,0,0,0,0,1|2,0,0]=4 3445 B15R1.3778 COc1ccc(cc1F)CNCC(=O)N 2230a_100000711301_100000189595 [1,0,0,0,0,1|2,0,0]=4 3446 B15R1.3778 COc1ccc(cc1F)CNCC(=O)N 2230a_100000737316_100000747473 [1,0,0,0,0,1|2,0,0]=4 3447 B15R1.3778 COc1ccc(cc1F)CNCC(=O)N 34a_100000737316_100000187820 [1,0,0,0,0,1|2,0,0]=4 3448 B15R1.3778 COc1ccc(cc1F)CNCC(=O)O 269956a_100016091260_100000189595 [1,0,0,0,0,1|1,0,0]=3 3449 B15R1.3778 COc1ccc(cc1F)CNCC(=O)[O-] 34a_100000737316_100020667443 [1,0,0,0,0,1|1,0,1]=4 3450 B15R1.3778 COc1ccc(cc1F)COCC(=O)C 34a_100000211253_100000189595 [1,0,0,0,0,1|2,0,0]=4 3451 B15R1.3778 COc1ccc(cc1F)COCC(=O)N 34a_100000246395_100000187820 [1,0,0,0,0,1|2,0,0]=4 3452 B15R1.3778 COc1ccc(cc1F)COCC(=O)N 7a_100000246395_100000187820 [1,0,0,0,0,1|2,0,0]=4 3453 B15R1.3778 COc1ccc(cc1F)COCC(=O)[O-] 34a_100000246395_100020667443 [1,0,0,0,0,1|1,0,1]=4 3454 B15R1.3778 COc1ccc(cc1F)CSCC(=O)N 62a_100000189595_100000747473 [1,0,0,0,0,1|2,0,0]=4 3455 B15R1.3778 COc1ccc(cc1F)CSCC(=O)N 62a_100000747473_100000189595 [1,0,0,0,0,1|2,0,0]=4 3456 B15R1.3778 COc1ccc(cc1F)CSCC(=O)[O-] 62a_100000189595_100020667443 [1,0,0,0,0,1|1,0,1]=4 3457 B15R1.3778 COc1ccc(cc1F)CSCC(=O)[O-] 62a_100020667443_100000189595 [1,0,0,0,0,1|1,0,1]=4 3458 B15R1.3778 COc1ccc(cc1F)NCCC(=O)N 2230a_100000740183_100000744528 [1,0,0,0,0,1|2,0,0]=4 3459 B15R1.3778 COc1ccc(cc1F)NCCC(=O)N 34a_100000740183_100000731001 [1,0,0,0,0,1|2,0,0]=4 3460 B15R1.3778 COc1ccc(cc1F)OCCC(=O)C 7a_100000746305_100000053229 [1,0,0,0,0,1|2,0,0]=4 3461 B15R1.3778 COc1ccc(cc1F)OCCC(=O)N 34a_100000746305_100000731001 [1,0,0,0,0,1|2,0,0]=4 3462 B15R1.3778 COc1ccc(cc1F)OCCC(=O)N 7a_100000746305_100000744528 [1,0,0,0,0,1|2,0,0]=4 3463 B15R1.3778 COc1ccc(cc1F)SCCC(=O)C 62a_100000053229_100000171752 [1,0,0,0,0,1|2,0,0]=4 3464 B15R1.3778 COc1ccc(cc1F)SCCC(=O)C 62a_100000171752_100000053229 [1,0,0,0,0,1|2,0,0]=4 3465 B15R1.3778 COc1ccc(cc1F)SCCC(=O)N 62a_100000171752_100000744528 [1,0,0,0,0,1|2,0,0]=4 3466 B15R1.3778 COc1ccc(cc1F)SCCC(=O)N 62a_100000744528_100000171752 [1,0,0,0,0,1|2,0,0]=4 3467 B15R1.3778 COc1ccc(cc1I)COCC(=O)N 34a_200000013966_100000187820 [1,0,0,0,0,1|2,0,0]=4 3468 B15R1.3778 COc1ccc(cc1I)COCC(=O)N 7a_200000013966_100000187820 [1,0,0,0,0,1|2,0,0]=4 3469 B15R1.3778 COc1ccc(cc1I)COCC(=O)[O-] 34a_200000013966_100020667443 [1,0,0,0,0,1|1,0,1]=4 3470 B15R1.3778 COc1ccc(cc1I)NCCC(=O)N 34a_100011356947_100000731001 [1,0,0,0,0,1|2,0,0]=4 3471 B15R1.3778 COc1ccc(cc1I)OCCC(=O)C 7a_100010084122_100000053229 [1,0,0,0,0,1|2,0,0]=4 3472 B15R1.3778 COc1ccc(cc1I)OCCC(=O)N 34a_100010084122_100000731001 [1,0,0,0,0,1|2,0,0]=4 3473 B15R1.3778 COc1ccc(cc1I)OCCC(=O)N 7a_100010084122_100000744528 [1,0,0,0,0,1|2,0,0]=4 3474 B15R1.3778 COc1ccc(cc1N)COCC(=O)N 34a_100011269841_100000187820 [1,0,0,0,0,1|2,0,0]=4 3475 B15R1.3778 COc1ccc(cc1N)COCC(=O)[O-] 34a_100011269841_100020667443 [1,0,0,0,0,1|1,0,1]=4 3476 B15R1.3778 COc1ccc(cc1N)SCCC(=O)C 62a_100000053229_100011249504 [1,0,0,0,0,1|2,0,0]=4 3477 B15R1.3778 COc1ccc(cc1N)SCCC(=O)C 62a_100011249504_100000053229 [1,0,0,0,0,1|2,0,0]=4 3478 B15R1.3778 COc1ccc(cc1N)SCCC(=O)N 62a_100000744528_100011249504 [1,0,0,0,0,1|2,0,0]=4 3479 B15R1.3778 COc1ccc(cc1N)SCCC(=O)N 62a_100011249504_100000744528 [1,0,0,0,0,1|2,0,0]=4 3480 B15R1.3778 COc1ccc(cc1O)CCNC(=O)C 240690a_100011207234_100015343762 [1,0,0,0,0,1|1,0,0]=3 3481 B15R1.3778 COc1ccc(cc1O)CCNC(=O)C 527a_100011207234_100103153847 [1,0,0,0,0,1|1,0,0]=3 3482 B15R1.3778 COc1ccc(cc1O)CNCC(=O)N 34a_100000740000_100000187820 [1,0,0,0,0,1|1,0,0]=3 3483 B15R1.3778 COc1ccc(cc1O)CNCC(=O)[O-] 34a_100000740000_100020667443 [1,0,0,0,0,1|0,0,1]=3 3484 B15R1.3778 COc1ccc(cc1O)CNCC(C)O 34a_100000740000_100011218427 [1,0,0,0,0,1|1,0,1]=4 3485 B15R1.3778 COc1ccc(cc1O)CNC[C@@H](C)O 34a_100000740000_100009817552 [1,0,0,0,0,1|1,0,1]=4 3486 B15R1.3778 COc1ccc(cc1O)CNC[N+](=O)[O-] 34a_100000740000_100000761209 [1,0,0,0,0,1|1,0,1]=4 3487 B15R1.3778 COc1ccc(cc1O)NCCC(=O)N 34a_100000211920_100000731001 [1,0,0,0,0,1|1,0,0]=3 3488 B15R1.3778 COc1ccc(cc1O)NCCC(C)O 34a_100000211920_100012276601 [1,0,0,0,0,1|1,0,1]=4 3489 B15R1.3778 COc1ccc(cc1O)NCOC(=O)C 34a_100000211920_100009813279 [1,0,0,0,0,1|2,0,0]=4 3490 B15R1.3778 COc1ccc(cc1O)SCCC(=O)C 62a_100000053229_100009816560 [1,0,0,0,0,1|1,0,0]=3 3491 B15R1.3778 COc1ccc(cc1O)SCCC(=O)N 62a_100000744528_100009816560 [1,0,0,0,0,1|1,0,0]=3 3492 B15R1.3778 COc1ccc(cc1O)SCCC(C)O 62a_100012276601_100009816560 [1,0,0,0,0,1|1,0,1]=4 3493 B15R1.3778 COc1ccc(cc1O)SCOC(=O)C 62a_100000076356_100009816560 [1,0,0,0,0,1|2,0,0]=4 3494 B15R1.3778 COc1ccc(nc1C)SCCC(=O)C 62a_100000053229_100010244750 [1,0,0,0,0,1|2,0,0]=4 3495 B15R1.3778 COc1ccc(nc1C)SCCC(=O)C 62a_100010244750_100000053229 [1,0,0,0,0,1|2,0,0]=4 3496 B15R1.3778 COc1ccc(nc1C)SCCC(=O)N 62a_100000744528_100010244750 [1,0,0,0,0,1|2,0,0]=4 3497 B15R1.3778 COc1ccc(nc1C)SCCC(=O)N 62a_100010244750_100000744528 [1,0,0,0,0,1|2,0,0]=4 3498 B15R1.3778 COc1cnc(cc1O)SCCC(=O)C 62a_100000053229_100010264082 [1,0,0,0,0,1|2,0,0]=4 3499 B15R1.3778 COc1cnc(cc1O)SCCC(=O)N 62a_100000744528_100010264082 [1,0,0,0,0,1|2,0,0]=4 3500 B15R1.3778 COc1coc(cc1=O)CNCC(=O)O 269956a_100016091260_100000081511 [1,0,0,0,0,1|1,0,1]=4 3501 B15R1.3778 COc1ncc(cc1C)SCCC(=O)C 62a_100000053229_100011290809 [1,0,0,0,0,1|2,0,0]=4 3502 B15R1.3778 COc1ncc(cc1C)SCCC(=O)C 62a_100011290809_100000053229 [1,0,0,0,0,1|2,0,0]=4 3503 B15R1.3778 COc1ncc(cc1C)SCCC(=O)N 62a_100000744528_100011290809 [1,0,0,0,0,1|2,0,0]=4 3504 B15R1.3778 COc1ncc(cc1C)SCCC(=O)N 62a_100011290809_100000744528 [1,0,0,0,0,1|2,0,0]=4 3505 B15R1.3778 COc1ncc(cc1O)SCCC(=O)C 62a_100000053229_100010135713 [1,0,0,0,0,1|2,0,0]=4 3506 B15R1.3778 COc1ncc(cc1O)SCCC(=O)N 62a_100000744528_100010135713 [1,0,0,0,0,1|2,0,0]=4 3507 B15R1.3778 CSc1ccc(cc1C)OCCC(=O)N 34a_100000030144_100000731001 [1,0,0,0,0,1|1,1,0]=4 3508 B15R1.397 COc1cc(cc(c1)OC)CCC(=O)C 1458a_100000212342_200000210301 [0,0,0,0,1,1|1,0,0]=3 3509 B15R1.397 COc1cc(cc(c1)OC)CCC(=O)[13CH3] 1458a_100000212342_200025704644 [0,0,0,0,1,1|1,0,0]=3 3510 B15R1.397 COc1cc(cc(c1)OC)CNC(=O)C 11a_100000737887_100015343762 [0,0,0,0,1,1|2,0,0]=4 3511 B15R1.397 COc1cc(cc(c1)OC)CNC(=O)C 1626a_100000737887_100015343762 [0,0,0,0,1,1|2,0,0]=4 3512 B15R1.397 COc1cc(cc(c1)OC)CNC(=O)C 240690a_100000737887_100015343762 [0,0,0,0,1,1|2,0,0]=4 3513 B15R1.397 COc1cc(cc(c1)OC)CNC(=O)C 527a_100000737887_100103153847 [0,0,0,0,1,1|2,0,0]=4 3514 B15R1.397 COc1cc(cc(c1)OC)NCC(=O)N 2230a_100000210928_100000747473 [0,0,0,0,1,1|2,0,0]=4 3515 B15R1.397 COc1cc(cc(c1)OC)NCC(=O)N 34a_100000210928_100000187820 [0,0,0,0,1,1|2,0,0]=4 3516 B15R1.397 COc1cc(cc(c1)OC)NCC(=O)[O-] 34a_100000210928_100020667443 [0,0,0,0,1,1|1,0,1]=4 3517 B15R1.397 COc1cc(cc(c1)OCC(=O)N)OC 34a_100000181322_100000187820 [0,0,0,0,1,1|2,0,0]=4 3518 B15R1.397 COc1cc(cc(c1)OCC(=O)N)OC 7a_100000181322_100000187820 [0,0,0,0,1,1|2,0,0]=4 3519 B15R1.397 COc1cc(cc(c1)OCC(=O)[O-])OC 34a_100000181322_100020667443 [0,0,0,0,1,1|1,0,1]=4 3520 B15R1.397 COc1cc(cc(c1)SCC(=O)N)OC 62a_100000747473_100000685218 [0,0,0,0,1,1|2,0,0]=4 3521 B15R1.397 COc1cc(cc(c1)SCC(=O)[O-])OC 62a_100020667443_100000685218 [0,0,0,0,1,1|1,0,1]=4 3522 B15R1.1579 COc1cccc(c1OC)CCC(=O)C 1458a_100000195402_200000210301 [0,0,0,0,1,1|1,0,0]=3 3523 B15R1.1579 COc1cccc(c1OC)CCC(=O)[13CH3] 1458a_100000195402_200025704644 [0,0,0,0,1,1|1,0,0]=3 3524 B15R1.1579 COc1cccc(c1OC)CNC(=O)C 11a_100000737870_100015343762 [0,0,0,0,1,1|2,0,0]=4 3525 B15R1.1579 COc1cccc(c1OC)CNC(=O)C 1626a_100000737870_100015343762 [0,0,0,0,1,1|2,0,0]=4 3526 B15R1.1579 COc1cccc(c1OC)CNC(=O)C 240690a_100000737870_100015343762 [0,0,0,0,1,1|2,0,0]=4 3527 B15R1.1579 COc1cccc(c1OC)CNC(=O)C 527a_100000737870_100103153847 [0,0,0,0,1,1|2,0,0]=4 3528 B15R1.1579 COc1cccc(c1OC)NCC(=O)N 34a_100011217386_100000187820 [0,0,0,0,1,1|2,0,0]=4 3529 B15R1.1579 COc1cccc(c1OC)NCC(=O)[O-] 34a_100011217386_100020667443 [0,0,0,0,1,1|1,0,1]=4 3530 B15R1.1579 COc1cccc(c1OC)OCC(=O)N 34a_100000032319_100000187820 [0,0,0,0,1,1|2,0,0]=4 3531 B15R1.1579 COc1cccc(c1OC)OCC(=O)[O-] 34a_100000032319_100020667443 [0,0,0,0,1,1|1,0,1]=4 3532 B15R1.1579 COc1cccc(c1OC)SCC(=O)N 62a_100000747473_100010163134 [0,0,0,0,1,1|2,0,0]=4 3533 B15R1.1579 COc1cccc(c1OC)SCC(=O)[O-] 62a_100020667443_100010163134 [0,0,0,0,1,1|1,0,1]=4 3534 B15R1.1904 COc1ccc(c(c1)OC)CCC(=O)C 1458a_100011217809_200000210301 [0,0,0,0,1,1|1,0,0]=3 3535 B15R1.1904 COc1ccc(c(c1)OC)CCC(=O)[13CH3] 1458a_100011217809_200025704644 [0,0,0,0,1,1|1,0,0]=3 3536 B15R1.1904 COc1ccc(c(c1)OC)CNC(=O)C 11a_100000737765_100015343762 [0,0,0,0,1,1|2,0,0]=4 3537 B15R1.1904 COc1ccc(c(c1)OC)CNC(=O)C 1626a_100000737765_100015343762 [0,0,0,0,1,1|2,0,0]=4 3538 B15R1.1904 COc1ccc(c(c1)OC)CNC(=O)C 240690a_100000737765_100015343762 [0,0,0,0,1,1|2,0,0]=4 3539 B15R1.1904 COc1ccc(c(c1)OC)CNC(=O)C 527a_100000737765_100103153847 [0,0,0,0,1,1|2,0,0]=4 3540 B15R1.1904 COc1ccc(c(c1)OC)NCC(=O)N 2230a_100000211191_100000747473 [0,0,0,0,1,1|2,0,0]=4 3541 B15R1.1904 COc1ccc(c(c1)OC)NCC(=O)N 34a_100000211191_100000187820 [0,0,0,0,1,1|2,0,0]=4 3542 B15R1.1904 COc1ccc(c(c1)OC)NCC(=O)[O-] 34a_100000211191_100020667443 [0,0,0,0,1,1|1,0,1]=4 3543 B15R1.1904 COc1ccc(c(c1)OC)OCC(=O)N 34a_100009840267_100000187820 [0,0,0,0,1,1|2,0,0]=4 3544 B15R1.1904 COc1ccc(c(c1)OC)OCC(=O)[O-] 34a_100009840267_100020667443 [0,0,0,0,1,1|1,0,1]=4 3545 B15R1.1904 COc1ccc(c(c1)OC)SCC(=O)N 62a_100000747473_100000750026 [0,0,0,0,1,1|2,0,0]=4 3546 B15R1.1904 COc1ccc(c(c1)OC)SCC(=O)N 62a_100000750026_100000747473 [0,0,0,0,1,1|2,0,0]=4 3547 B15R1.1904 COc1ccc(c(c1)OC)SCC(=O)[O-] 62a_100000750026_100020667443 [0,0,0,0,1,1|1,0,1]=4 3548 B15R1.1904 COc1ccc(c(c1)OC)SCC(=O)[O-] 62a_100020667443_100000750026 [0,0,0,0,1,1|1,0,1]=4 3549 B15R1.1904 COc1ccc(c(n1)OC)OCC(=O)N 34a_100000085135_100000187820 [0,0,0,0,1,1|2,0,0]=4 3550 B15R1.1904 COc1ccc(c(n1)OC)OCC(=O)[O-] 34a_100000085135_100020667443 [0,0,0,0,1,1|1,0,1]=4 3551 B15R1.1904 COc1ccc(c(n1)OC)SCC(=O)N 62a_100000747473_100009816055 [0,0,0,0,1,1|2,0,0]=4 3552 B15R1.1904 COc1ccc(c(n1)OC)SCC(=O)N 62a_100009816055_100000747473 [0,0,0,0,1,1|2,0,0]=4 3553 B15R1.1904 COc1ccc(c(n1)OC)SCC(=O)[O-] 62a_100009816055_100020667443 [0,0,0,0,1,1|1,0,1]=4 3554 B15R1.1904 COc1ccc(c(n1)OC)SCC(=O)[O-] 62a_100020667443_100009816055 [0,0,0,0,1,1|1,0,1]=4 3555 B17R1.4639 C=C(C)CCNCc1ccc(c(c1)OC)OC 34a_100000185555_100000730704 [0,0,0,0,0,2|2,0,0]=4 3556 B17R1.4639 C=C(C)CCOCc1ccc(c(c1)OC)OC 34a_100000210929_100000730704 [0,0,0,0,0,2|2,0,0]=4 3557 B17R1.4639 C=C(C)CCSCc1ccc(c(c1)OC)OC 62a_100000730704_100011233839 [0,0,0,0,0,2|2,0,0]=4 3558 B17R1.4639 C=C(C)CNCCc1ccc(c(c1)OC)OC 2230a_100000210947_100000748629 [0,0,0,0,0,2|2,0,0]=4 3559 B17R1.4639 C=C(C)CNCCc1ccc(c(c1)OC)OC 34a_100000210947_100000748629 [0,0,0,0,0,2|2,0,0]=4 3560 B17R1.4639 C=C(C)COCCc1ccc(c(c1)OC)OC 34a_100000210245_100011273988 [0,0,0,0,0,2|2,0,0]=4 3561 B17R1.4639 C=C(C)COCCc1ccc(c(c1)OC)OC 34a_100011215274_100000748629 [0,0,0,0,0,2|2,0,0]=4 3562 B17R1.4639 C=C(C)CSCCc1ccc(c(c1)OC)OC 62a_100000748629_100011740610 [0,0,0,0,0,2|2,0,0]=4 3563 B17R1.4639 C=C(F)CNCCc1ccc(c(c1)OC)OC 2230a_100000210947_100009893438 [0,0,0,0,0,2|2,0,0]=4 3564 B17R1.4639 C=C(F)CNCCc1ccc(c(c1)OC)OC 34a_100000210947_100009893438 [0,0,0,0,0,2|2,0,0]=4 3565 B17R1.4639 C=C(F)COCCc1ccc(c(c1)OC)OC 34a_100011215274_100009893438 [0,0,0,0,0,2|2,0,0]=4 3566 B17R1.4639 C=C(F)COCCc1ccc(c(c1)OC)OC 34a_200010262243_100011273988 [0,0,0,0,0,2|2,0,0]=4 3567 B17R1.4639 C=C(F)CSCCc1ccc(c(c1)OC)OC 62a_100000042424_100011740610 [0,0,0,0,0,2|2,0,0]=4 3568 B17R1.4639 CCc1cc(ccc1OC)SCCCC(=O)C 62a_100011215641_200010179862 [0,0,0,0,0,2|2,0,0]=4 3569 B17R1.4639 CCc1cc(ccc1OC)SCCCC(=O)C 62a_200010179862_100011215641 [0,0,0,0,0,2|2,0,0]=4 3570 B17R1.4639 CCc1cc(ccc1OC)SCCCC(=O)N 62a_100102525003_200010179862 [0,0,0,0,0,2|2,0,0]=4 3571 B17R1.4639 CCc1cc(ccc1OC)SCCCC(=O)N 62a_200010179862_100102525003 [0,0,0,0,0,2|2,0,0]=4 3572 B17R1.4639 CCc1cc(ccc1OC)SCCNC(=O)C 62a_100000189650_200010179862 [0,0,0,0,0,2|2,0,0]=4 3573 B17R1.4639 CCc1cc(ccc1OC)SCCNC(=O)C 62a_200010179862_100000189650 [0,0,0,0,0,2|2,0,0]=4 3574 B17R1.4639 CCc1cc(ccc1OC)SCCNC(=O)N 62a_200000034859_200010179862 [0,0,0,0,0,2|2,0,0]=4 3575 B17R1.4639 CCc1cc(ccc1OC)SCCNC(=O)N 62a_200010179862_200000034859 [0,0,0,0,0,2|2,0,0]=4 3576 B17R1.4639 CCc1cc(ccc1OC)SCCOC(=O)C 62a_100009814007_200010179862 [0,0,0,0,0,2|2,0,0]=4 3577 B17R1.4639 CCc1cc(ccc1OC)SCCOC(=O)C 62a_200010179862_100009814007 [0,0,0,0,0,2|2,0,0]=4 3578 B17R1.4639 CCc1cc(ccc1OC)SCCOC(=O)N 62a_200010179862_200011214921 [0,0,0,0,0,2|2,0,0]=4 3579 B17R1.4639 CCc1cc(ccc1OC)SCCOC(=O)N 62a_200011214921_200010179862 [0,0,0,0,0,2|2,0,0]=4 3580 B17R1.4639 CCc1ccc(cc1OC)SCCCC(=O)C 62a_100011215641_200010710398 [0,0,0,0,0,2|2,0,0]=4 3581 B17R1.4639 CCc1ccc(cc1OC)SCCCC(=O)C 62a_200010710398_100011215641 [0,0,0,0,0,2|2,0,0]=4 3582 B17R1.4639 CCc1ccc(cc1OC)SCCCC(=O)N 62a_100102525003_200010710398 [0,0,0,0,0,2|2,0,0]=4 3583 B17R1.4639 CCc1ccc(cc1OC)SCCCC(=O)N 62a_200010710398_100102525003 [0,0,0,0,0,2|2,0,0]=4 3584 B17R1.4639 CCc1ccc(cc1OC)SCCNC(=O)C 62a_100000189650_200010710398 [0,0,0,0,0,2|2,0,0]=4 3585 B17R1.4639 CCc1ccc(cc1OC)SCCNC(=O)C 62a_200010710398_100000189650 [0,0,0,0,0,2|2,0,0]=4 3586 B17R1.4639 CCc1ccc(cc1OC)SCCNC(=O)N 62a_200000034859_200010710398 [0,0,0,0,0,2|2,0,0]=4 3587 B17R1.4639 CCc1ccc(cc1OC)SCCNC(=O)N 62a_200010710398_200000034859 [0,0,0,0,0,2|2,0,0]=4 3588 B17R1.4639 CCc1ccc(cc1OC)SCCOC(=O)C 62a_100009814007_200010710398 [0,0,0,0,0,2|2,0,0]=4 3589 B17R1.4639 CCc1ccc(cc1OC)SCCOC(=O)C 62a_200010710398_100009814007 [0,0,0,0,0,2|2,0,0]=4 3590 B17R1.4639 CCc1ccc(cc1OC)SCCOC(=O)N 62a_200010710398_200011214921 [0,0,0,0,0,2|2,0,0]=4 3591 B17R1.4639 CCc1ccc(cc1OC)SCCOC(=O)N 62a_200011214921_200010710398 [0,0,0,0,0,2|2,0,0]=4 3592 B17R1.4639 COc1cc(ccc1SC)CNCCC(=O)N 207a_100000740010_100000050949 [0,0,0,0,0,2|1,1,0]=4 3593 B17R1.4639 COc1cc(ccc1SC)SCCCC(=O)C 62a_200011001119_100011215641 [0,0,0,0,0,2|1,1,0]=4 3594 B17R1.4639 COc1cc(ccc1SC)SCCCC(=O)N 62a_200011001119_100102525003 [0,0,0,0,0,2|1,1,0]=4 3595 B17R1.4639 COc1cc(ccc1SC)SCCNC(=O)C 62a_200011001119_100000189650 [0,0,0,0,0,2|1,1,0]=4 3596 B17R1.4639 COc1cc(ccc1SC)SCCNC(=O)N 62a_200011001119_200000034859 [0,0,0,0,0,2|1,1,0]=4 3597 B17R1.4639 COc1cc(ccc1SC)SCCOC(=O)C 62a_200011001119_100009814007 [0,0,0,0,0,2|1,1,0]=4 3598 B17R1.4639 COc1cc(ccc1SC)SCCOC(=O)N 62a_200011001119_200011214921 [0,0,0,0,0,2|1,1,0]=4 3599 B17R1.4639 COc1cc(cnc1OC)CNCCC(=O)N 207a_100000740010_100000117638 [0,0,0,0,0,2|2,0,0]=4 3600 B17R1.4639 COc1cc(cnc1OC)SCCCC(=O)C 62a_100011215641_100010234541 [0,0,0,0,0,2|2,0,0]=4 3601 B17R1.4639 COc1cc(cnc1OC)SCCCC(=O)N 62a_100102525003_100010234541 [0,0,0,0,0,2|2,0,0]=4 3602 B17R1.4639 COc1cc(cnc1OC)SCCNC(=O)C 62a_100000189650_100010234541 [0,0,0,0,0,2|2,0,0]=4 3603 B17R1.4639 COc1cc(cnc1OC)SCCNC(=O)N 62a_200000034859_100010234541 [0,0,0,0,0,2|2,0,0]=4 3604 B17R1.4639 COc1cc(cnc1OC)SCCOC(=O)C 62a_100009814007_100010234541 [0,0,0,0,0,2|2,0,0]=4 3605 B17R1.4639 COc1cc(cnc1OC)SCCOC(=O)N 62a_200011214921_100010234541 [0,0,0,0,0,2|2,0,0]=4 3606 B17R1.4639 COc1ccc(cc1OC)C=CCOC(=O)C 271570a_200000047263_100000187503 [0,0,0,0,0,2|1,0,1]=4 3607 B17R1.4639 COc1ccc(cc1OC)CC=NNC(=O)C 4a_100000189765_100011754369 [0,0,0,0,0,2|1,0,1]=4 3608 B17R1.4639 COc1ccc(cc1OC)CCCNC(=O)C 1626a_100000745738_100015343762 [0,0,0,0,0,2|1,0,0]=3 3609 B17R1.4639 COc1ccc(cc1OC)CCCNC(=O)C 240690a_100000745738_100015343762 [0,0,0,0,0,2|1,0,0]=3 3610 B17R1.4639 COc1ccc(cc1OC)CCCNC(=O)C 527a_100000745738_100103153847 [0,0,0,0,0,2|1,0,0]=3 3611 B17R1.4639 COc1ccc(cc1OC)CCNCC(=O)N 2230a_100000210947_100000747473 [0,0,0,0,0,2|1,0,0]=3 3612 B17R1.4639 COc1ccc(cc1OC)CCNCC(=O)N 2230a_100000711301_100011273988 [0,0,0,0,0,2|1,0,0]=3 3613 B17R1.4639 COc1ccc(cc1OC)CCNCC(=O)N 34a_100000210947_100000187820 [0,0,0,0,0,2|1,0,0]=3 3614 B17R1.4639 COc1ccc(cc1OC)CCNCC(=O)O 269956a_100016091260_100011740610 [0,0,0,0,0,2|0,0,0]=2 3615 B17R1.4639 COc1ccc(cc1OC)CCNCC(=O)[O-] 34a_100000210947_100020667443 [0,0,0,0,0,2|0,0,1]=3 3616 B17R1.4639 COc1ccc(cc1OC)CCNCC(C)O 2230a_100000210904_100011273988 [0,0,0,0,0,2|1,0,1]=4 3617 B17R1.4639 COc1ccc(cc1OC)CCNCC(C)O 2230a_100000210947_100011218427 [0,0,0,0,0,2|1,0,1]=4 3618 B17R1.4639 COc1ccc(cc1OC)CCNCC(C)O 270004a_100000210904_100011754369 [0,0,0,0,0,2|1,0,1]=4 3619 B17R1.4639 COc1ccc(cc1OC)CCNCC(C)O 34a_100000210904_100011273988 [0,0,0,0,0,2|1,0,1]=4 3620 B17R1.4639 COc1ccc(cc1OC)CCNCC(C)O 34a_100000210947_100011218427 [0,0,0,0,0,2|1,0,1]=4 3621 B17R1.4639 COc1ccc(cc1OC)CCNC[C@@H](C)O 2230a_100000210947_100009817552 [0,0,0,0,0,2|1,0,1]=4 3622 B17R1.4639 COc1ccc(cc1OC)CCNC[C@@H](C)O 34a_100000210947_100009817552 [0,0,0,0,0,2|1,0,1]=4 3623 B17R1.4639 COc1ccc(cc1OC)CCNC[N+](=O)[O-] 34a_100000210947_100000761209 [0,0,0,0,0,2|1,0,1]=4 3624 B17R1.4639 COc1ccc(cc1OC)CCOCC(=O)C 34a_100000211253_100011273988 [0,0,0,0,0,2|1,0,0]=3 3625 B17R1.4639 COc1ccc(cc1OC)CCOCC(=O)N 34a_100011215274_100000187820 [0,0,0,0,0,2|1,0,0]=3 3626 B17R1.4639 COc1ccc(cc1OC)CCOCC(=O)[O-] 34a_100011215274_100020667443 [0,0,0,0,0,2|0,0,1]=3 3627 B17R1.4639 COc1ccc(cc1OC)CCOCC(C)O 34a_100011215274_100011218427 [0,0,0,0,0,2|1,0,1]=4 3628 B17R1.4639 COc1ccc(cc1OC)CCOC[C@@H](C)O 34a_100011215274_100009817552 [0,0,0,0,0,2|1,0,1]=4 3629 B17R1.4639 COc1ccc(cc1OC)CCOC[N+](=O)[O-] 34a_100011215274_100000761209 [0,0,0,0,0,2|1,0,1]=4 3630 B17R1.4639 COc1ccc(cc1OC)CCSCC(=O)N 62a_100000747473_100011740610 [0,0,0,0,0,2|1,0,0]=3 3631 B17R1.4639 COc1ccc(cc1OC)CCSCC(=O)[O-] 62a_100020667443_100011740610 [0,0,0,0,0,2|0,0,1]=3 3632 B17R1.4639 COc1ccc(cc1OC)CCSCC(C)O 62a_100011218427_100011740610 [0,0,0,0,0,2|1,0,1]=4 3633 B17R1.4639 COc1ccc(cc1OC)CCSC[C@@H](C)O 62a_100009817552_100011740610 [0,0,0,0,0,2|1,0,1]=4 3634 B17R1.4639 COc1ccc(cc1OC)CNCC=C(C)C 270004a_100000718196_100000170513 [0,0,0,0,0,2|2,0,0]=4 3635 B17R1.4639 COc1ccc(cc1OC)CNCC=C(C)C 34a_100000185555_100000761012 [0,0,0,0,0,2|2,0,0]=4 3636 B17R1.4639 COc1ccc(cc1OC)CNCCC(=O)N 207a_100000740010_100000170513 [0,0,0,0,0,2|1,0,0]=3 3637 B17R1.4639 COc1ccc(cc1OC)CNCCC(=O)N 34a_100000185555_100000731001 [0,0,0,0,0,2|1,0,0]=3 3638 B17R1.4639 COc1ccc(cc1OC)CNCCC(C)O 207a_200000755665_100000170513 [0,0,0,0,0,2|1,0,1]=4 3639 B17R1.4639 COc1ccc(cc1OC)CNCCC(C)O 2230a_200000755665_100011233839 [0,0,0,0,0,2|1,0,1]=4 3640 B17R1.4639 COc1ccc(cc1OC)CNCCC(C)O 270004a_200000755665_100000170513 [0,0,0,0,0,2|1,0,1]=4 3641 B17R1.4639 COc1ccc(cc1OC)CNCCC(C)O 34a_100000185555_100012276601 [0,0,0,0,0,2|1,0,1]=4 3642 B17R1.4639 COc1ccc(cc1OC)CNCOC(=O)C 34a_100000185555_100009813279 [0,0,0,0,0,2|1,0,0]=3 3643 B17R1.4639 COc1ccc(cc1OC)CNOCC(=O)O 269956a_100000106656_100011233839 [0,0,0,0,0,2|0,0,0]=2 3644 B17R1.4639 COc1ccc(cc1OC)COCC=C(C)C 34a_100000210929_100000761012 [0,0,0,0,0,2|2,0,0]=4 3645 B17R1.4639 COc1ccc(cc1OC)COCCC(=O)N 34a_100000210929_100000731001 [0,0,0,0,0,2|1,0,0]=3 3646 B17R1.4639 COc1ccc(cc1OC)COCCC(C)O 34a_100000210929_100012276601 [0,0,0,0,0,2|1,0,1]=4 3647 B17R1.4639 COc1ccc(cc1OC)COCOC(=O)C 34a_100000210929_100009813279 [0,0,0,0,0,2|1,0,0]=3 3648 B17R1.4639 COc1ccc(cc1OC)CSCC=C(C)C 62a_100000761012_100011233839 [0,0,0,0,0,2|2,0,0]=4 3649 B17R1.4639 COc1ccc(cc1OC)CSCCC(=O)C 62a_100000053229_100011233839 [0,0,0,0,0,2|1,0,0]=3 3650 B17R1.4639 COc1ccc(cc1OC)CSCCC(=O)N 62a_100000744528_100011233839 [0,0,0,0,0,2|1,0,0]=3 3651 B17R1.4639 COc1ccc(cc1OC)CSCCC(C)O 62a_100012276601_100011233839 [0,0,0,0,0,2|1,0,1]=4 3652 B17R1.4639 COc1ccc(cc1OC)CSCOC(=O)C 62a_100000076356_100011233839 [0,0,0,0,0,2|1,0,0]=3 3653 B17R1.4639 COc1ccc(cc1OC)NCCC=C(C)C 34a_100000187404_100011217483 [0,0,0,0,0,2|2,0,0]=4 3654 B17R1.4639 COc1ccc(cc1OC)NCCC=C(F)F 34a_100000187404_200009816681 [0,0,0,0,0,2|2,0,0]=4 3655 B17R1.4639 COc1ccc(cc1OC)NCCCC(=O)C 34a_100000187404_100000685027 [0,0,0,0,0,2|1,0,0]=3 3656 B17R1.4639 COc1ccc(cc1OC)NCCCC(=O)N 34a_100000187404_100102525003 [0,0,0,0,0,2|1,0,0]=3 3657 B17R1.4639 COc1ccc(cc1OC)NCCCC(C)O 34a_100000187404_200000718107 [0,0,0,0,0,2|1,0,1]=4 3658 B17R1.4639 COc1ccc(cc1OC)NCCOC(=O)C 34a_100000187404_100009814007 [0,0,0,0,0,2|1,0,0]=3 3659 B17R1.4639 COc1ccc(cc1OC)NCCOC(=O)N 34a_100000187404_200011214921 [0,0,0,0,0,2|1,0,0]=3 3660 B17R1.4639 COc1ccc(cc1OC)OCCC=C(C)C 34a_100000039706_100011217483 [0,0,0,0,0,2|2,0,0]=4 3661 B17R1.4639 COc1ccc(cc1OC)OCCC=C(F)F 34a_100000039706_200009816681 [0,0,0,0,0,2|2,0,0]=4 3662 B17R1.4639 COc1ccc(cc1OC)OCCCC(=O)C 34a_100000039706_100000685027 [0,0,0,0,0,2|1,0,0]=3 3663 B17R1.4639 COc1ccc(cc1OC)OCCCC(=O)N 34a_100000039706_100102525003 [0,0,0,0,0,2|1,0,0]=3 3664 B17R1.4639 COc1ccc(cc1OC)OCCCC(C)O 34a_100000039706_200000718107 [0,0,0,0,0,2|1,0,1]=4 3665 B17R1.4639 COc1ccc(cc1OC)OCCOC(=O)C 34a_100000039706_100009814007 [0,0,0,0,0,2|1,0,0]=3 3666 B17R1.4639 COc1ccc(cc1OC)OCCOC(=O)N 34a_100000039706_200011214921 [0,0,0,0,0,2|1,0,0]=3 3667 B17R1.4639 COc1ccc(cc1OC)SCCC=C(C)C 62a_100011217483_100011356967 [0,0,0,0,0,2|2,0,0]=4 3668 B17R1.4639 COc1ccc(cc1OC)SCCC=C(F)F 62a_200009816681_100011356967 [0,0,0,0,0,2|2,0,0]=4 3669 B17R1.4639 COc1ccc(cc1OC)SCCCC(=O)C 62a_100011215641_100011356967 [0,0,0,0,0,2|1,0,0]=3 3670 B17R1.4639 COc1ccc(cc1OC)SCCCC(=O)N 62a_100102525003_100011356967 [0,0,0,0,0,2|1,0,0]=3 3671 B17R1.4639 COc1ccc(cc1OC)SCCCC(C)O 62a_200000718107_100011356967 [0,0,0,0,0,2|1,0,1]=4 3672 B17R1.4639 COc1ccc(cc1OC)SCCNC(=O)C 62a_100000189650_100011356967 [0,0,0,0,0,2|1,0,0]=3 3673 B17R1.4639 COc1ccc(cc1OC)SCCNC(=O)N 62a_200000034859_100011356967 [0,0,0,0,0,2|1,0,0]=3 3674 B17R1.4639 COc1ccc(cc1OC)SCCOC(=O)C 62a_100009814007_100011356967 [0,0,0,0,0,2|1,0,0]=3 3675 B17R1.4639 COc1ccc(cc1OC)SCCOC(=O)N 62a_200011214921_100011356967 [0,0,0,0,0,2|1,0,0]=3 3676 B17R1.4639 COc1ccc(cc1SC)SCCCC(=O)C 62a_200009892704_100011215641 [0,0,0,0,0,2|1,1,0]=4 3677 B17R1.4639 COc1ccc(cc1SC)SCCCC(=O)N 62a_200009892704_100102525003 [0,0,0,0,0,2|1,1,0]=4 3678 B17R1.4639 COc1ccc(cc1SC)SCCNC(=O)C 62a_200009892704_100000189650 [0,0,0,0,0,2|1,1,0]=4 3679 B17R1.4639 COc1ccc(cc1SC)SCCNC(=O)N 62a_200009892704_200000034859 [0,0,0,0,0,2|1,1,0]=4 3680 B17R1.4639 COc1ccc(cc1SC)SCCOC(=O)C 62a_200009892704_100009814007 [0,0,0,0,0,2|1,1,0]=4 3681 B17R1.4639 COc1ccc(cc1SC)SCCOC(=O)N 62a_200009892704_200011214921 [0,0,0,0,0,2|1,1,0]=4 3682 B17R1.4639 COc1ccc(nc1OC)SCCCC(=O)C 62a_100011215641_100010214848 [0,0,0,0,0,2|2,0,0]=4 3683 B17R1.4639 COc1ccc(nc1OC)SCCCC(=O)N 62a_100102525003_100010214848 [0,0,0,0,0,2|2,0,0]=4 3684 B17R1.4639 COc1ccc(nc1OC)SCCNC(=O)C 62a_100000189650_100010214848 [0,0,0,0,0,2|2,0,0]=4 3685 B17R1.4639 COc1ccc(nc1OC)SCCNC(=O)N 62a_200000034859_100010214848 [0,0,0,0,0,2|2,0,0]=4 3686 B17R1.4639 COc1ccc(nc1OC)SCCOC(=O)C 62a_100009814007_100010214848 [0,0,0,0,0,2|2,0,0]=4 3687 B17R1.4639 COc1ccc(nc1OC)SCCOC(=O)N 62a_200011214921_100010214848 [0,0,0,0,0,2|2,0,0]=4