0 B14R1.42 C=C(C)CNc1ccc(c(c1)OC)O 34a_100000726020_100000748629 [0,0,0,0,0,0|3,0,1]=4 1 B14R1.42 C=C(C)CSc1ccc(c(c1)OC)O 62a_100000748629_100000694246 [0,0,0,0,0,0|3,0,1]=4 2 B14R1.42 C=C(F)CNc1ccc(c(c1)OC)O 34a_100000726020_100009893438 [0,0,0,0,0,0|3,0,1]=4 3 B14R1.42 C=C(F)CSc1ccc(c(c1)OC)O 62a_100000042424_100000694246 [0,0,0,0,0,0|3,0,1]=4 4 B14R1.42 CC(O)C=Cc1ccc(c(c1)C#N)O 271570a_200011019289_100000687585 [0,0,0,0,0,0|3,0,1]=4 5 B14R1.42 CC(O)C=Cc1ccc(c(c1)C=O)O 271570a_200011019289_100000186750 [0,0,0,0,0,0|3,0,1]=4 6 B14R1.42 CC(O)C=Cc1ccc(c(c1)CN)O 271570a_200011019289_100000730032 [0,0,0,0,0,0|3,0,1]=4 7 B14R1.42 CC(O)C=Cc1ccc(c(c1)CO)O 271570a_200011019289_100000184703 [0,0,0,0,0,0|3,0,1]=4 8 B14R1.42 CCc1cc(ccc1Br)C=CC(C)O 271570a_200011019289_100010244631 [0,0,0,0,0,0|3,0,1]=4 9 B14R1.42 CCc1cc(ccc1F)C=CC(C)O 271570a_200011019289_100010244625 [0,0,0,0,0,0|3,0,1]=4 10 B14R1.42 CCc1cc(ccc1N)C=CC(C)O 271570a_200011019289_100000686106 [0,0,0,0,0,0|3,0,1]=4 11 B14R1.42 CCc1cc(ccc1O)C=CC(C)C 271570a_100016257149_100012338938 [0,0,0,0,0,0|3,0,1]=4 12 B14R1.42 CCc1cc(ccc1O)C=CC(C)O 271570a_200011019289_100012338938 [0,0,0,0,0,0|2,0,1]=3 13 B14R1.42 CCc1cc(ccc1O)SCC(=O)N 62a_100000747473_100012338938 [0,0,0,0,0,0|3,0,1]=4 14 B14R1.42 CCc1cc(ccc1O)SCC(=O)[O-] 62a_100020667443_100012338938 [0,0,0,0,0,0|2,0,2]=4 15 B14R1.42 CNc1cc(ccc1C)C=CC(C)O 271570a_200011019289_100020629602 [0,0,0,0,0,0|3,0,1]=4 16 B14R1.42 CNc1cc(ccc1F)C=CC(C)O 271570a_200011019289_100011314990 [0,0,0,0,0,0|3,0,1]=4 17 B14R1.42 CNc1cc(ccc1N)C=CC(C)O 271570a_200011019289_100000694363 [0,0,0,0,0,0|3,0,1]=4 18 B14R1.42 COc1cc(c[nH]c1=O)C=CC(C)O 271570a_200011019289_100010125397 [0,0,0,0,0,0|2,0,2]=4 19 B14R1.42 COc1cc(ccc1Br)C=CC(=O)C 1458a_100016267305_200000210301 [0,0,0,0,0,0|2,0,0]=2 20 B14R1.42 COc1cc(ccc1Br)C=CC(=O)[13CH3] 1458a_100016267305_200025704644 [0,0,0,0,0,0|2,0,0]=2 21 B14R1.42 COc1cc(ccc1Br)C=CC(C)C 271570a_100016257149_100012353699 [0,0,0,0,0,0|3,0,1]=4 22 B14R1.42 COc1cc(ccc1Br)C=CC(C)O 271570a_200011019289_100012353699 [0,0,0,0,0,0|2,0,1]=3 23 B14R1.42 COc1cc(ccc1Br)NCC(=O)N 2230a_100000765947_100000747473 [0,0,0,0,0,0|3,0,1]=4 24 B14R1.42 COc1cc(ccc1Br)NCC(=O)N 34a_100000765947_100000187820 [0,0,0,0,0,0|3,0,1]=4 25 B14R1.42 COc1cc(ccc1Br)NCC(=O)[O-] 34a_100000765947_100020667443 [0,0,0,0,0,0|2,0,2]=4 26 B14R1.42 COc1cc(ccc1Br)OCC(=O)N 34a_100011827694_100000187820 [0,0,0,0,0,0|3,0,1]=4 27 B14R1.42 COc1cc(ccc1Br)OCC(=O)N 7a_100011827694_100000187820 [0,0,0,0,0,0|3,0,1]=4 28 B14R1.42 COc1cc(ccc1Br)OCC(=O)[O-] 34a_100011827694_100020667443 [0,0,0,0,0,0|2,0,2]=4 29 B14R1.42 COc1cc(ccc1Br)SCC(=O)N 62a_100000747473_100012353699 [0,0,0,0,0,0|3,0,1]=4 30 B14R1.42 COc1cc(ccc1Br)SCC(=O)N 62a_100012353699_100000747473 [0,0,0,0,0,0|3,0,1]=4 31 B14R1.42 COc1cc(ccc1Br)SCC(=O)[O-] 62a_100012353699_100020667443 [0,0,0,0,0,0|2,0,2]=4 32 B14R1.42 COc1cc(ccc1Br)SCC(=O)[O-] 62a_100020667443_100012353699 [0,0,0,0,0,0|2,0,2]=4 33 B14R1.42 COc1cc(ccc1C)C=CC(C)C 271570a_100016257149_100011830276 [0,0,0,0,0,0|3,0,1]=4 34 B14R1.42 COc1cc(ccc1C)C=CC(C)O 271570a_200011019289_100011830276 [0,0,0,0,0,0|2,0,1]=3 35 B14R1.42 COc1cc(ccc1C)CCC(=O)C 1458a_200000066385_200000210301 [0,0,0,0,0,0|2,0,2]=4 36 B14R1.42 COc1cc(ccc1C)CCC(=O)[13CH3] 1458a_200000066385_200025704644 [0,0,0,0,0,0|2,0,2]=4 37 B14R1.42 COc1cc(ccc1C)NCC(=O)N 2230a_100011279678_100000747473 [0,0,0,0,0,0|3,0,1]=4 38 B14R1.42 COc1cc(ccc1C)NCC(=O)N 34a_100011279678_100000187820 [0,0,0,0,0,0|3,0,1]=4 39 B14R1.42 COc1cc(ccc1C)NCC(=O)[O-] 34a_100011279678_100020667443 [0,0,0,0,0,0|2,0,2]=4 40 B14R1.42 COc1cc(ccc1C)OCC(=O)N 34a_100009865632_100000187820 [0,0,0,0,0,0|3,0,1]=4 41 B14R1.42 COc1cc(ccc1C)OCC(=O)N 7a_100009865632_100000187820 [0,0,0,0,0,0|3,0,1]=4 42 B14R1.42 COc1cc(ccc1C)OCC(=O)[O-] 34a_100009865632_100020667443 [0,0,0,0,0,0|2,0,2]=4 43 B14R1.42 COc1cc(ccc1C)SCC(=O)N 62a_100000747473_100011830276 [0,0,0,0,0,0|3,0,1]=4 44 B14R1.42 COc1cc(ccc1C)SCC(=O)N 62a_100011830276_100000747473 [0,0,0,0,0,0|3,0,1]=4 45 B14R1.42 COc1cc(ccc1C)SCC(=O)[O-] 62a_100011830276_100020667443 [0,0,0,0,0,0|2,0,2]=4 46 B14R1.42 COc1cc(ccc1C)SCC(=O)[O-] 62a_100020667443_100011830276 [0,0,0,0,0,0|2,0,2]=4 47 B14R1.42 COc1cc(ccc1Cl)C=CC(C)C 271570a_100016257149_100011356853 [0,0,0,0,0,0|3,0,1]=4 48 B14R1.42 COc1cc(ccc1Cl)C=CC(C)O 271570a_200011019289_100011356853 [0,0,0,0,0,0|2,0,1]=3 49 B14R1.42 COc1cc(ccc1Cl)CNC(=O)C 11a_100015204853_100015343762 [0,0,0,0,0,0|3,0,1]=4 50 B14R1.42 COc1cc(ccc1Cl)CNC(=O)C 1626a_100015204853_100015343762 [0,0,0,0,0,0|3,0,1]=4 51 B14R1.42 COc1cc(ccc1Cl)CNC(=O)C 240690a_100015204853_100015343762 [0,0,0,0,0,0|3,0,1]=4 52 B14R1.42 COc1cc(ccc1Cl)CNC(=O)C 527a_100015204853_100103153847 [0,0,0,0,0,0|3,0,1]=4 53 B14R1.42 COc1cc(ccc1Cl)NCC(=O)N 2230a_100000742311_100000747473 [0,0,0,0,0,0|3,0,1]=4 54 B14R1.42 COc1cc(ccc1Cl)NCC(=O)N 34a_100000742311_100000187820 [0,0,0,0,0,0|3,0,1]=4 55 B14R1.42 COc1cc(ccc1Cl)NCC(=O)[O-] 34a_100000742311_100020667443 [0,0,0,0,0,0|2,0,2]=4 56 B14R1.42 COc1cc(ccc1Cl)OCC(=O)N 34a_100012186310_100000187820 [0,0,0,0,0,0|3,0,1]=4 57 B14R1.42 COc1cc(ccc1Cl)OCC(=O)N 7a_100012186310_100000187820 [0,0,0,0,0,0|3,0,1]=4 58 B14R1.42 COc1cc(ccc1Cl)OCC(=O)[O-] 34a_100012186310_100020667443 [0,0,0,0,0,0|2,0,2]=4 59 B14R1.42 COc1cc(ccc1Cl)SCC(=O)N 62a_100000747473_100011356853 [0,0,0,0,0,0|3,0,1]=4 60 B14R1.42 COc1cc(ccc1Cl)SCC(=O)N 62a_100011356853_100000747473 [0,0,0,0,0,0|3,0,1]=4 61 B14R1.42 COc1cc(ccc1Cl)SCC(=O)[O-] 62a_100011356853_100020667443 [0,0,0,0,0,0|2,0,2]=4 62 B14R1.42 COc1cc(ccc1Cl)SCC(=O)[O-] 62a_100020667443_100011356853 [0,0,0,0,0,0|2,0,2]=4 63 B14R1.42 COc1cc(ccc1F)C=CC(C)C 271570a_100016257149_100011934186 [0,0,0,0,0,0|3,0,1]=4 64 B14R1.42 COc1cc(ccc1F)C=CC(C)O 271570a_200011019289_100011934186 [0,0,0,0,0,0|2,0,1]=3 65 B14R1.42 COc1cc(ccc1F)CCC(=O)C 1458a_100009849056_200000210301 [0,0,0,0,0,0|2,0,2]=4 66 B14R1.42 COc1cc(ccc1F)CCC(=O)[13CH3] 1458a_100009849056_200025704644 [0,0,0,0,0,0|2,0,2]=4 67 B14R1.42 COc1cc(ccc1F)CNC(=O)C 11a_100020626639_100015343762 [0,0,0,0,0,0|3,0,1]=4 68 B14R1.42 COc1cc(ccc1F)CNC(=O)C 1626a_100020626639_100015343762 [0,0,0,0,0,0|3,0,1]=4 69 B14R1.42 COc1cc(ccc1F)CNC(=O)C 240690a_100020626639_100015343762 [0,0,0,0,0,0|3,0,1]=4 70 B14R1.42 COc1cc(ccc1F)CNC(=O)C 527a_100020626639_100103153847 [0,0,0,0,0,0|3,0,1]=4 71 B14R1.42 COc1cc(ccc1F)NCC(=O)N 2230a_100000701188_100000747473 [0,0,0,0,0,0|3,0,1]=4 72 B14R1.42 COc1cc(ccc1F)NCC(=O)N 34a_100000701188_100000187820 [0,0,0,0,0,0|3,0,1]=4 73 B14R1.42 COc1cc(ccc1F)NCC(=O)[O-] 34a_100000701188_100020667443 [0,0,0,0,0,0|2,0,2]=4 74 B14R1.42 COc1cc(ccc1F)NNC(=O)C 22a_102515433066_100000070787 [0,0,0,0,0,0|4,0,0]=4 75 B14R1.42 COc1cc(ccc1F)OCC(=O)N 34a_100012001760_100000187820 [0,0,0,0,0,0|3,0,1]=4 76 B14R1.42 COc1cc(ccc1F)OCC(=O)N 7a_100012001760_100000187820 [0,0,0,0,0,0|3,0,1]=4 77 B14R1.42 COc1cc(ccc1F)OCC(=O)[O-] 34a_100012001760_100020667443 [0,0,0,0,0,0|2,0,2]=4 78 B14R1.42 COc1cc(ccc1F)SCC(=O)N 62a_100000747473_100011934186 [0,0,0,0,0,0|3,0,1]=4 79 B14R1.42 COc1cc(ccc1F)SCC(=O)N 62a_100011934186_100000747473 [0,0,0,0,0,0|3,0,1]=4 80 B14R1.42 COc1cc(ccc1F)SCC(=O)[O-] 62a_100011934186_100020667443 [0,0,0,0,0,0|2,0,2]=4 81 B14R1.42 COc1cc(ccc1F)SCC(=O)[O-] 62a_100020667443_100011934186 [0,0,0,0,0,0|2,0,2]=4 82 B14R1.42 COc1cc(ccc1I)NCC(=O)N 34a_100000746945_100000187820 [0,0,0,0,0,0|3,0,1]=4 83 B14R1.42 COc1cc(ccc1I)NCC(=O)[O-] 34a_100000746945_100020667443 [0,0,0,0,0,0|2,0,2]=4 84 B14R1.42 COc1cc(ccc1N)C=CC(C)C 271570a_100016257149_100011279103 [0,0,0,0,0,0|3,0,1]=4 85 B14R1.42 COc1cc(ccc1N)C=CC(C)O 271570a_200011019289_100011279103 [0,0,0,0,0,0|2,0,1]=3 86 B14R1.42 COc1cc(ccc1N)OCC(=O)N 34a_100015326901_100000187820 [0,0,0,0,0,0|3,0,1]=4 87 B14R1.42 COc1cc(ccc1N)OCC(=O)N 7a_100015326901_100000187820 [0,0,0,0,0,0|3,0,1]=4 88 B14R1.42 COc1cc(ccc1N)OCC(=O)[O-] 34a_100015326901_100020667443 [0,0,0,0,0,0|2,0,2]=4 89 B14R1.42 COc1cc(ccc1N)SCC(=O)N 62a_100000747473_100015196925 [0,0,0,0,0,0|3,0,1]=4 90 B14R1.42 COc1cc(ccc1N)SCC(=O)N 62a_100011279103_100000747473 [0,0,0,0,0,0|3,0,1]=4 91 B14R1.42 COc1cc(ccc1N)SCC(=O)[O-] 62a_100011279103_100020667443 [0,0,0,0,0,0|2,0,2]=4 92 B14R1.42 COc1cc(ccc1N)SCC(=O)[O-] 62a_100020667443_100015196925 [0,0,0,0,0,0|2,0,2]=4 93 B14R1.42 COc1cc(ccc1O)C=CC(=O)C 1458a_100000182119_200000210301 [0,0,0,0,0,0|1,0,0]=1 94 B14R1.42 COc1cc(ccc1O)C=CC(=O)[13CH3] 1458a_100000182119_200025704644 [0,0,0,0,0,0|1,0,0]=1 95 B14R1.42 COc1cc(ccc1O)C=CC(C)C 271570a_100016257149_100000694246 [0,0,0,0,0,0|2,0,1]=3 96 B14R1.42 COc1cc(ccc1O)C=CC(C)O 271570a_200011019289_100000694246 [0,0,0,0,0,0|1,0,1]=2 97 B14R1.42 COc1cc(ccc1O)CCC(=O)C 1458a_100000070787_100010741665 [0,0,0,0,0,0|1,0,2]=3 98 B14R1.42 COc1cc(ccc1O)CCC(=O)C 1458a_100011216321_200000210301 [0,0,0,0,0,0|1,0,2]=3 99 B14R1.42 COc1cc(ccc1O)CCC(=O)[13CH3] 1458a_100011216321_200025704644 [0,0,0,0,0,0|1,0,2]=3 100 B14R1.42 COc1cc(ccc1O)CNC(=O)C 11a_100000185554_100015343762 [0,0,0,0,0,0|2,0,1]=3 101 B14R1.42 COc1cc(ccc1O)CNC(=O)C 240690a_100000185554_100015343762 [0,0,0,0,0,0|2,0,1]=3 102 B14R1.42 COc1cc(ccc1O)CNC(=O)C 527a_100000185554_100103153847 [0,0,0,0,0,0|2,0,1]=3 103 B14R1.42 COc1cc(ccc1O)NCC(=O)N 34a_100000726020_100000187820 [0,0,0,0,0,0|2,0,1]=3 104 B14R1.42 COc1cc(ccc1O)NCC(=O)[O-] 34a_100000726020_100020667443 [0,0,0,0,0,0|1,0,2]=3 105 B14R1.42 COc1cc(ccc1O)NCC(C)O 34a_100000726020_100011218427 [0,0,0,0,0,0|2,0,2]=4 106 B14R1.42 COc1cc(ccc1O)NC[C@@H](C)O 34a_100000726020_100009817552 [0,0,0,0,0,0|2,0,2]=4 107 B14R1.42 COc1cc(ccc1O)NC[N+](=O)[O-] 34a_100000726020_100000761209 [0,0,0,0,0,0|2,0,2]=4 108 B14R1.42 COc1cc(ccc1O)SCC(=O)N 62a_100000747473_100000694246 [0,0,0,0,0,0|2,0,1]=3 109 B14R1.42 COc1cc(ccc1O)SCC(=O)[O-] 62a_100020667443_100000694246 [0,0,0,0,0,0|1,0,2]=3 110 B14R1.42 COc1cc(ccc1O)SCC(C)O 62a_100011218427_100000694246 [0,0,0,0,0,0|2,0,2]=4 111 B14R1.42 COc1cc(ccc1O)SC[C@@H](C)O 62a_100009817552_100000694246 [0,0,0,0,0,0|2,0,2]=4 112 B14R1.42 COc1cc(cnc1C)C=CC(C)O 271570a_200011019289_100010254219 [0,0,0,0,0,0|3,0,1]=4 113 B14R1.42 COc1cc(cnc1F)C=CC(C)O 271570a_200011019289_100010214931 [0,0,0,0,0,0|3,0,1]=4 114 B14R1.42 COc1cc(cnc1N)C=CC(C)O 271570a_200011019289_106354213024 [0,0,0,0,0,0|3,0,1]=4 115 B14R1.42 COc1cc(ncc1C)C=CC(C)O 271570a_200011019289_100010067687 [0,0,0,0,0,0|3,0,1]=4 116 B14R1.42 COc1cc(ncc1F)C=CC(C)O 271570a_200011019289_200010136270 [0,0,0,0,0,0|3,0,1]=4 117 B14R1.42 COc1cc(ncc1N)C=CC(C)O 271570a_200011019289_100009887741 [0,0,0,0,0,0|3,0,1]=4 118 B14R1.42 COc1nc(ccc1N)C=CC(C)O 271570a_200011019289_100000687816 [0,0,0,0,0,0|3,0,1]=4 119 B14R1.42 COc1nc(ccc1O)C=CC(C)C 271570a_100016257149_100010893133 [0,0,0,0,0,0|3,0,1]=4 120 B14R1.42 COc1nc(ccc1O)C=CC(C)O 271570a_200011019289_100010893133 [0,0,0,0,0,0|2,0,1]=3 121 B14R1.42 COc1nc(ccc1O)SCC(=O)N 62a_100000747473_100010893133 [0,0,0,0,0,0|3,0,1]=4 122 B14R1.42 COc1nc(ccc1O)SCC(=O)[O-] 62a_100020667443_100010893133 [0,0,0,0,0,0|2,0,2]=4 123 B14R1.42 COc1nc(cnc1O)C=CC(C)O 271570a_200011019289_200010365344 [0,0,0,0,0,0|3,0,1]=4 124 B14R1.42 CSc1cc(ccc1F)C=CC(C)O 271570a_200011019289_100010341305 [0,0,0,0,0,0|2,1,1]=4 125 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Br)Cl 1458a_100102889548_200000210301 [1,0,0,0,0,0|3,0,0]=4 126 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Br)F 1458a_100011195070_200000210301 [1,0,0,0,0,0|3,0,0]=4 127 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Br)O 1458a_200103079279_200000210301 [1,0,0,0,0,0|2,0,0]=3 128 B13R1.511 CC(=O)C=Cc1ccc(c(c1)C)C 1458a_100011338269_200000210301 [1,0,0,0,0,0|2,0,0]=3 129 B13R1.511 CC(=O)C=Cc1ccc(c(c1)C)F 1458a_100016261966_200000210301 [1,0,0,0,0,0|2,0,0]=3 130 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Cl)Cl 1458a_100000716972_200000210301 [1,0,0,0,0,0|3,0,0]=4 131 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Cl)F 1458a_100102525453_200000210301 [1,0,0,0,0,0|3,0,0]=4 132 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Cl)O 1458a_200103117615_200000210301 [1,0,0,0,0,0|2,0,0]=3 133 B13R1.511 CC(=O)C=Cc1ccc(c(c1)F)Br 1458a_100102601611_200000210301 [1,0,0,0,0,0|3,0,0]=4 134 B13R1.511 CC(=O)C=Cc1ccc(c(c1)F)C 1458a_100102526211_200000210301 [1,0,0,0,0,0|3,0,0]=4 135 B13R1.511 CC(=O)C=Cc1ccc(c(c1)F)Cl 1458a_100020610926_200000210301 [1,0,0,0,0,0|3,0,0]=4 136 B13R1.511 CC(=O)C=Cc1ccc(c(c1)F)F 1458a_100011195075_200000210301 [1,0,0,0,0,0|3,0,0]=4 137 B13R1.511 CC(=O)CCc1ccc(c(c1)O)O 1458a_100000042615_200000210301 [1,0,0,0,0,0|1,0,2]=4 138 B13R1.511 CC(=O)CCc1ccc(c(c1)O)O 1458a_100000070787_200010393615 [1,0,0,0,0,0|1,0,2]=4 139 B13R1.511 CC(=O)NCc1ccc(c(c1)O)O 240690a_100000010075_100015343762 [1,0,0,0,0,0|2,0,1]=4 140 B13R1.511 CC(C)C=Cc1ccc(c(c1)O)O 271570a_100016257149_100009813601 [1,0,0,0,0,0|2,0,1]=4 141 B13R1.511 CC(O)C=Cc1ccc(c(c1)Br)O 271570a_200011019289_100012361655 [1,0,0,0,0,0|2,0,1]=4 142 B13R1.511 CC(O)C=Cc1ccc(c(c1)Cl)O 271570a_200011019289_100012360047 [1,0,0,0,0,0|2,0,1]=4 143 B13R1.511 CC(O)C=Cc1ccc(c(c1)F)O 271570a_200011019289_100000185481 [1,0,0,0,0,0|2,0,1]=4 144 B13R1.511 CC(O)C=Cc1ccc(c(c1)N)O 271570a_200011019289_100000752626 [1,0,0,0,0,0|2,0,1]=4 145 B13R1.511 CC(O)C=Cc1ccc(c(c1)O)Br 271570a_200011019289_100012356990 [1,0,0,0,0,0|2,0,1]=4 146 B13R1.511 CC(O)C=Cc1ccc(c(c1)O)Cl 271570a_200011019289_100011356854 [1,0,0,0,0,0|2,0,1]=4 147 B13R1.511 CC(O)C=Cc1ccc(c(c1)O)F 271570a_200011019289_100000686035 [1,0,0,0,0,0|2,0,1]=4 148 B13R1.511 CC(O)C=Cc1ccc(c(c1)O)N 271570a_200011019289_100000739049 [1,0,0,0,0,0|2,0,1]=4 149 B13R1.511 CC(O)C=Cc1ccc(c(c1)O)O 271570a_200011019289_100009813601 [1,0,0,0,0,0|1,0,1]=3 150 B13R1.511 Cc1cc(ccc1Br)C=CC(C)O 271570a_200011019289_100009813585 [1,0,0,0,0,0|2,0,1]=4 151 B13R1.511 Cc1cc(ccc1Cl)C=CC(C)O 271570a_200011019289_100000049509 [1,0,0,0,0,0|2,0,1]=4 152 B13R1.511 Cc1cc(ccc1F)C=CC(=O)[13CH3] 1458a_100016261966_200025704644 [1,0,0,0,0,0|2,0,0]=3 153 B13R1.511 Cc1cc(ccc1F)C=CC(C)O 271570a_200011019289_100011218330 [1,0,0,0,0,0|2,0,1]=4 154 B13R1.511 Cc1cc(ccc1N)C=CC(C)O 271570a_200011019289_100000211769 [1,0,0,0,0,0|2,0,1]=4 155 B13R1.511 Cc1cc(ccc1O)C=CC(C)C 271570a_100016257149_100000186361 [1,0,0,0,0,0|2,0,1]=4 156 B13R1.511 Cc1cc(ccc1O)C=CC(C)O 271570a_200011019289_100000186361 [1,0,0,0,0,0|1,0,1]=3 157 B13R1.511 Cc1cc(ccc1O)NCC(=O)N 34a_100011218179_100000187820 [1,0,0,0,0,0|2,0,1]=4 158 B13R1.511 Cc1cc(ccc1O)NCC(=O)N 7a_100011218179_100000187820 [1,0,0,0,0,0|2,0,1]=4 159 B13R1.511 Cc1cc(ccc1O)NCC(=O)[O-] 34a_100011218179_100020667443 [1,0,0,0,0,0|1,0,2]=4 160 B13R1.511 Cc1cc(ccc1O)SCC(=O)N 62a_100000747473_100000186361 [1,0,0,0,0,0|2,0,1]=4 161 B13R1.511 Cc1cc(ccc1O)SCC(=O)[O-] 62a_100020667443_100000186361 [1,0,0,0,0,0|1,0,2]=4 162 B13R1.511 Cc1cc(cnc1O)C=CC(C)O 271570a_200011019289_100000685391 [1,0,0,0,0,0|2,0,1]=4 163 B13R1.511 Cc1cc(ncc1O)C=CC(C)O 271570a_200011019289_100000692680 [1,0,0,0,0,0|2,0,1]=4 164 B13R1.511 Cc1ccc(cc1C)C=CC(=O)[13CH3] 1458a_100011338269_200025704644 [1,0,0,0,0,0|2,0,0]=3 165 B13R1.511 Cc1ccc(cc1C)C=CC(C)O 271570a_200011019289_100011215607 [1,0,0,0,0,0|2,0,1]=4 166 B13R1.511 Cc1ccc(cc1F)C=CC(=O)[13CH3] 1458a_100102526211_200025704644 [1,0,0,0,0,0|3,0,0]=4 167 B13R1.511 Cc1ccc(cc1O)C=CC(C)O 271570a_200011019289_100000766334 [1,0,0,0,0,0|2,0,1]=4 168 B13R1.511 Cc1nc(ccc1O)C=CC(C)O 271570a_200011019289_100010233687 [1,0,0,0,0,0|2,0,1]=4 169 B13R1.511 NC(=O)CNc1ccc(c(c1)O)O 34a_100102946323_100000187820 [1,0,0,0,0,0|2,0,1]=4 170 B13R1.511 NC(=O)CSc1ccc(c(c1)O)O 62a_100000747473_100009813601 [1,0,0,0,0,0|2,0,1]=4 171 B13R1.511 O=C([O-])CNc1ccc(c(c1)O)O 34a_100102946323_100020667443 [1,0,0,0,0,0|1,0,2]=4 172 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)O 62a_100020667443_100009813601 [1,0,0,0,0,0|1,0,2]=4 173 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Br)Cl 1458a_100102889548_200025704644 [1,0,0,0,0,0|3,0,0]=4 174 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Br)F 1458a_100011195070_200025704644 [1,0,0,0,0,0|3,0,0]=4 175 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Br)O 1458a_200103079279_200025704644 [1,0,0,0,0,0|2,0,0]=3 176 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Cl)Cl 1458a_100000716972_200025704644 [1,0,0,0,0,0|3,0,0]=4 177 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Cl)F 1458a_100102525453_200025704644 [1,0,0,0,0,0|3,0,0]=4 178 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Cl)O 1458a_200103117615_200025704644 [1,0,0,0,0,0|2,0,0]=3 179 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)F)Br 1458a_100102601611_200025704644 [1,0,0,0,0,0|3,0,0]=4 180 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)F)Cl 1458a_100020610926_200025704644 [1,0,0,0,0,0|3,0,0]=4 181 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)F)F 1458a_100011195075_200025704644 [1,0,0,0,0,0|3,0,0]=4 182 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)O)O 1458a_100000042615_200025704644 [1,0,0,0,0,0|1,0,2]=4 183 B13R1.575 C=CCNc1ccc(c(c1)OC)O 34a_100000726020_100015514636 [1,0,0,0,0,0|2,0,1]=4 184 B13R1.575 C=CCSc1ccc(c(c1)OC)O 62a_100000210623_100000694246 [1,0,0,0,0,0|2,0,1]=4 185 B13R1.575 CCc1cc(ccc1O)SCC=O 62a_200015260668_100012338938 [1,0,0,0,0,0|2,0,1]=4 186 B13R1.575 COc1cc(ccc1Br)NCC=O 2230a_100000765947_200015260668 [1,0,0,0,0,0|2,0,1]=4 187 B13R1.575 COc1cc(ccc1Br)NCC=O 34a_100000765947_200009817547 [1,0,0,0,0,0|2,0,1]=4 188 B13R1.575 COc1cc(ccc1Br)OCC=O 34a_100011827694_200009817547 [1,0,0,0,0,0|2,0,1]=4 189 B13R1.575 COc1cc(ccc1Br)OCC=O 7a_100011827694_200015260668 [1,0,0,0,0,0|2,0,1]=4 190 B13R1.575 COc1cc(ccc1Br)SCC=O 62a_100012353699_200015260668 [1,0,0,0,0,0|2,0,1]=4 191 B13R1.575 COc1cc(ccc1Br)SCC=O 62a_200015260668_100012353699 [1,0,0,0,0,0|2,0,1]=4 192 B13R1.575 COc1cc(ccc1C)NCC=O 2230a_100011279678_200015260668 [1,0,0,0,0,0|2,0,1]=4 193 B13R1.575 COc1cc(ccc1C)NCC=O 34a_100011279678_200009817547 [1,0,0,0,0,0|2,0,1]=4 194 B13R1.575 COc1cc(ccc1C)OCC=O 34a_100009865632_200009817547 [1,0,0,0,0,0|2,0,1]=4 195 B13R1.575 COc1cc(ccc1C)OCC=O 7a_100009865632_200015260668 [1,0,0,0,0,0|2,0,1]=4 196 B13R1.575 COc1cc(ccc1C)SCC=O 62a_100011830276_200015260668 [1,0,0,0,0,0|2,0,1]=4 197 B13R1.575 COc1cc(ccc1C)SCC=O 62a_200015260668_100011830276 [1,0,0,0,0,0|2,0,1]=4 198 B13R1.575 COc1cc(ccc1Cl)NCC=O 2230a_100000742311_200015260668 [1,0,0,0,0,0|2,0,1]=4 199 B13R1.575 COc1cc(ccc1Cl)NCC=O 34a_100000742311_200009817547 [1,0,0,0,0,0|2,0,1]=4 200 B13R1.575 COc1cc(ccc1Cl)OCC=O 34a_100012186310_200009817547 [1,0,0,0,0,0|2,0,1]=4 201 B13R1.575 COc1cc(ccc1Cl)OCC=O 7a_100012186310_200015260668 [1,0,0,0,0,0|2,0,1]=4 202 B13R1.575 COc1cc(ccc1Cl)SCC=O 62a_100011356853_200015260668 [1,0,0,0,0,0|2,0,1]=4 203 B13R1.575 COc1cc(ccc1Cl)SCC=O 62a_200015260668_100011356853 [1,0,0,0,0,0|2,0,1]=4 204 B13R1.575 COc1cc(ccc1F)NCC=O 2230a_100000701188_200015260668 [1,0,0,0,0,0|2,0,1]=4 205 B13R1.575 COc1cc(ccc1F)NCC=O 34a_100000701188_200009817547 [1,0,0,0,0,0|2,0,1]=4 206 B13R1.575 COc1cc(ccc1F)OCC=O 34a_100012001760_200009817547 [1,0,0,0,0,0|2,0,1]=4 207 B13R1.575 COc1cc(ccc1F)OCC=O 7a_100012001760_200015260668 [1,0,0,0,0,0|2,0,1]=4 208 B13R1.575 COc1cc(ccc1F)SCC=O 62a_100011934186_200015260668 [1,0,0,0,0,0|2,0,1]=4 209 B13R1.575 COc1cc(ccc1F)SCC=O 62a_200015260668_100011934186 [1,0,0,0,0,0|2,0,1]=4 210 B13R1.575 COc1cc(ccc1I)NCC=O 34a_100000746945_200009817547 [1,0,0,0,0,0|2,0,1]=4 211 B13R1.575 COc1cc(ccc1N)OCC=O 34a_100015326901_200009817547 [1,0,0,0,0,0|2,0,1]=4 212 B13R1.575 COc1cc(ccc1N)OCC=O 7a_100015326901_200015260668 [1,0,0,0,0,0|2,0,1]=4 213 B13R1.575 COc1cc(ccc1N)SCC=O 62a_100011279103_200015260668 [1,0,0,0,0,0|2,0,1]=4 214 B13R1.575 COc1cc(ccc1N)SCC=O 62a_200015260668_100015196925 [1,0,0,0,0,0|2,0,1]=4 215 B13R1.575 COc1cc(ccc1O)NCC=O 34a_100000726020_200009817547 [1,0,0,0,0,0|1,0,1]=3 216 B13R1.575 COc1cc(ccc1O)NCCO 34a_100000726020_100000211926 [1,0,0,0,0,0|1,0,2]=4 217 B13R1.575 COc1cc(ccc1O)SCC=O 62a_200015260668_100000694246 [1,0,0,0,0,0|1,0,1]=3 218 B13R1.575 COc1cc(ccc1O)SCCO 62a_100000211926_100000694246 [1,0,0,0,0,0|1,0,2]=4 219 B13R1.575 COc1nc(ccc1O)SCC=O 62a_200015260668_100010893133 [1,0,0,0,0,0|2,0,1]=4 220 B13R1.643 C=Cc1cccc(c1)/C=C/C(=O)C 271570a_100011290941_200016266566 [1,0,0,0,0,0|2,0,1]=4 221 B13R1.643 CC(=O)/C=C/c1cccc(c1)S[13CH3] 62a_200016266566_200025704644 [1,0,0,0,0,0|1,1,0]=3 222 B13R1.643 CC(=O)/C=C/c1cccc(c1)S[13CH3] 62a_200025704644_200016266566 [1,0,0,0,0,0|1,1,0]=3 223 B13R1.643 CC(=O)C=Cc1cccc(c1)C#N 1458a_100000738773_200000210301 [1,0,0,0,0,0|3,0,0]=4 224 B13R1.643 CCc1cccc(c1)C=CC(C)O 271570a_200011019289_100000684523 [1,0,0,0,0,0|2,0,1]=4 225 B13R1.643 CNc1cccc(c1)C=CC(C)O 271570a_200011019289_100000219648 [1,0,0,0,0,0|2,0,1]=4 226 B13R1.643 COc1cc(ccn1)C=CC(C)O 271570a_200011019289_100000117307 [1,0,0,0,0,0|2,0,1]=4 227 B13R1.643 COc1cccc(c1)C=CC(C)C 271570a_100016257149_100000170001 [1,0,0,0,0,0|2,0,1]=4 228 B13R1.643 COc1cccc(c1)C=CC(C)O 271570a_200011019289_100000170001 [1,0,0,0,0,0|1,0,1]=3 229 B13R1.643 COc1cccc(c1)CCC(=O)C 1458a_100000070787_100011713679 [1,0,0,0,0,0|1,0,2]=4 230 B13R1.643 COc1cccc(c1)CCC(=O)C 1458a_100000234931_200000210301 [1,0,0,0,0,0|1,0,2]=4 231 B13R1.643 COc1cccc(c1)CCC(=O)[13CH3] 1458a_100000234931_200025704644 [1,0,0,0,0,0|1,0,2]=4 232 B13R1.643 COc1cccc(c1)CNC(=O)C 11a_100000174954_100015343762 [1,0,0,0,0,0|2,0,1]=4 233 B13R1.643 COc1cccc(c1)CNC(=O)C 1626a_100000174954_100015343762 [1,0,0,0,0,0|2,0,1]=4 234 B13R1.643 COc1cccc(c1)CNC(=O)C 240690a_100000174954_100015343762 [1,0,0,0,0,0|2,0,1]=4 235 B13R1.643 COc1cccc(c1)CNC(=O)C 527a_100000174954_100103153847 [1,0,0,0,0,0|2,0,1]=4 236 B13R1.643 COc1cccc(c1)NCC(=O)N 34a_100000210024_100000187820 [1,0,0,0,0,0|2,0,1]=4 237 B13R1.643 COc1cccc(c1)NCC(=O)[O-] 34a_100000210024_100020667443 [1,0,0,0,0,0|1,0,2]=4 238 B13R1.643 COc1cccc(c1)NNC(=O)C 22a_100000722927_100000070787 [1,0,0,0,0,0|3,0,0]=4 239 B13R1.643 COc1cccc(c1)OCC(=O)C 1458a_100000182123_200000210301 [1,0,0,0,0,0|2,0,1]=4 240 B13R1.643 COc1cccc(c1)OCC(=O)N 34a_100000211255_100000187820 [1,0,0,0,0,0|2,0,1]=4 241 B13R1.643 COc1cccc(c1)OCC(=O)N 7a_100000211255_100000187820 [1,0,0,0,0,0|2,0,1]=4 242 B13R1.643 COc1cccc(c1)OCC(=O)[13CH3] 1458a_100000182123_200025704644 [1,0,0,0,0,0|2,0,1]=4 243 B13R1.643 COc1cccc(c1)OCC(=O)[O-] 34a_100000211255_100020667443 [1,0,0,0,0,0|1,0,2]=4 244 B13R1.643 COc1cccc(c1)SCC(=O)C 1458a_100000741315_200000210301 [1,0,0,0,0,0|2,0,1]=4 245 B13R1.643 COc1cccc(c1)SCC(=O)N 62a_100000747473_100000170001 [1,0,0,0,0,0|2,0,1]=4 246 B13R1.643 COc1cccc(c1)SCC(=O)[13CH3] 1458a_100000741315_200025704644 [1,0,0,0,0,0|2,0,1]=4 247 B13R1.643 COc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100000170001 [1,0,0,0,0,0|1,0,2]=4 248 B13R1.643 COc1cccc(n1)C=CC(C)O 271570a_200011019289_100000760917 [1,0,0,0,0,0|2,0,1]=4 249 B13R1.643 COc1ccnc(c1)C=CC(C)O 271570a_200011019289_100011216251 [1,0,0,0,0,0|2,0,1]=4 250 B13R1.643 COc1cncc(c1)C=CC(C)O 271570a_200011019289_100000684773 [1,0,0,0,0,0|2,0,1]=4 251 B13R1.643 CSc1cccc(c1)/C=C/C(=O)C 62a_200000210301_200016266566 [1,0,0,0,0,0|1,1,0]=3 252 B13R1.643 CSc1cccc(c1)/C=C/C(=O)C 62a_200016266566_200000210301 [1,0,0,0,0,0|1,1,0]=3 253 B13R1.643 CSc1cccc(c1)C=CC(C)O 271570a_200011019289_100011215954 [1,0,0,0,0,0|1,1,1]=4 254 B13R1.643 [13CH3]C(=O)C=Cc1cccc(c1)C#N 1458a_100000738773_200025704644 [1,0,0,0,0,0|3,0,0]=4 255 B15R1.392 CCc1cc(cc(c1O)C)C=CC(C)O 271570a_200011019289_100010659108 [0,1,0,0,0,0|2,0,1]=4 256 B15R1.392 COc1cc(cc(c1F)C)C=CC(C)O 271570a_200011019289_100010271686 [0,1,0,0,0,0|2,0,1]=4 257 B15R1.392 COc1cc(cc(c1F)F)C=CC(C)O 271570a_200011019289_100011218012 [0,1,0,0,0,0|2,0,1]=4 258 B15R1.392 COc1cc(cc(c1F)O)C=CC(C)O 271570a_200011019289_200015524394 [0,1,0,0,0,0|2,0,1]=4 259 B15R1.392 COc1cc(cc(c1N)C)C=CC(C)O 271570a_200011019289_100000741850 [0,1,0,0,0,0|2,0,1]=4 260 B15R1.392 COc1cc(cc(c1O)Br)C=CC(=O)C 1458a_100015195021_200000210301 [0,1,0,0,0,0|1,0,0]=2 261 B15R1.392 COc1cc(cc(c1O)Br)C=CC(=O)[13CH3] 1458a_100015195021_200025704644 [0,1,0,0,0,0|1,0,0]=2 262 B15R1.392 COc1cc(cc(c1O)I)C=CC(=O)C 1458a_200021160827_200000210301 [0,1,0,0,0,0|1,0,0]=2 263 B15R1.392 COc1cc(cc(c1O)I)C=CC(=O)[13CH3] 1458a_200021160827_200025704644 [0,1,0,0,0,0|1,0,0]=2 264 B15R1.392 COc1cc(cc(c1O)O)SCC(=O)N 62a_100000747473_200159242197 [0,1,0,0,0,0|2,0,1]=4 265 B15R1.392 COc1cc(cc(c1O)O)SCC(=O)[O-] 62a_100020667443_200159242197 [0,1,0,0,0,0|1,0,2]=4 266 B15R1.531 CCOc1cc(ccc1C)C=CC(C)O 271570a_200011019289_100012361169 [0,1,0,0,0,0|2,0,1]=4 267 B15R1.531 CCOc1cc(ccc1F)C=CC(C)O 271570a_200011019289_200012344967 [0,1,0,0,0,0|2,0,1]=4 268 B15R1.531 CCOc1cc(ccc1N)C=CC(C)O 271570a_200011019289_100000688918 [0,1,0,0,0,0|2,0,1]=4 269 B15R1.531 CCOc1cc(ccc1O)CNC(=O)C 11a_200000751567_100015343762 [0,1,0,0,0,0|2,0,1]=4 270 B15R1.531 CCOc1cc(ccc1O)CNC(=O)C 240690a_200000751567_100015343762 [0,1,0,0,0,0|2,0,1]=4 271 B15R1.531 CCOc1cc(ccc1O)CNC(=O)C 527a_200000751567_100103153847 [0,1,0,0,0,0|2,0,1]=4 272 B15R1.531 CNCc1cc(ccc1O)C=CC(C)O 271570a_200011019289_100011602694 [0,1,0,0,0,0|2,0,1]=4 273 B15R1.531 COCc1cc(ccc1Br)C=CC(C)O 271570a_200011019289_202125822959 [0,1,0,0,0,0|2,0,1]=4 274 B15R1.531 COCc1cc(ccc1F)C=CC(C)O 271570a_200011019289_100010140362 [0,1,0,0,0,0|2,0,1]=4 275 B15R1.873 CC(=O)c1cc(ccc1O)C=CC(C)O 271570a_200011019289_100000212127 [0,1,0,0,0,0|2,0,1]=4 276 B15R1.873 CC(O)C=Cc1ccc(c(c1)C(C)C)O 271570a_200011019289_100000691460 [0,1,0,0,0,0|2,0,1]=4 277 B15R1.1803 COc1cc(c(cc1Br)Br)C=CC(C)O 271570a_200011019289_200014006352 [0,1,0,0,0,0|2,0,1]=4 278 B15R1.1803 COc1cc(c(cc1C)N)C=CC(C)O 271570a_200011019289_200010584344 [0,1,0,0,0,0|2,0,1]=4 279 B15R1.1803 COc1cc(c(cc1Cl)F)C=CC(C)O 271570a_200011019289_100010739614 [0,1,0,0,0,0|2,0,1]=4 280 B15R1.1803 COc1cc(c(cc1F)C)C=CC(C)O 271570a_200011019289_100011009880 [0,1,0,0,0,0|2,0,1]=4 281 B15R1.1803 COc1cc(c(cc1F)F)C=CC(C)O 271570a_200011019289_200015541288 [0,1,0,0,0,0|2,0,1]=4 282 B15R1.1803 COc1cc(c(cc1F)N)C=CC(C)O 271570a_200011019289_100010365326 [0,1,0,0,0,0|2,0,1]=4 283 B15R1.1803 COc1cc(c(cc1N)C)C=CC(C)O 271570a_200011019289_100010141321 [0,1,0,0,0,0|2,0,1]=4 284 B15R1.1803 COc1cc(c(cc1N)F)C=CC(C)O 271570a_200011019289_100012766639 [0,1,0,0,0,0|2,0,1]=4 285 B15R1.1803 COc1cc(c(cc1O)F)C=CC(C)C 271570a_100016257149_100010189133 [0,1,0,0,0,0|2,0,1]=4 286 B15R1.1803 COc1cc(c(cc1O)F)C=CC(C)O 271570a_200011019289_100010189133 [0,1,0,0,0,0|1,0,1]=3 287 B15R1.1803 COc1cc(c(cc1O)F)SCC(=O)N 62a_100000747473_100010189133 [0,1,0,0,0,0|2,0,1]=4 288 B15R1.1803 COc1cc(c(cc1O)F)SCC(=O)[O-] 62a_100020667443_100010189133 [0,1,0,0,0,0|1,0,2]=4 289 B15R1.4027 CCc1cc(ccc1O)C=CC(C)(C)O 271570a_200016258132_100012338938 [0,1,0,0,0,0|2,0,1]=4 290 B15R1.4027 COc1cc(ccc1Br)C=CC(C)(C)O 271570a_200016258132_100012353699 [0,1,0,0,0,0|2,0,1]=4 291 B15R1.4027 COc1cc(ccc1C)C=CC(C)(C)O 271570a_200016258132_100011830276 [0,1,0,0,0,0|2,0,1]=4 292 B15R1.4027 COc1cc(ccc1Cl)C=CC(C)(C)O 271570a_200016258132_100011356853 [0,1,0,0,0,0|2,0,1]=4 293 B15R1.4027 COc1cc(ccc1F)C=CC(C)(C)O 271570a_200016258132_100011934186 [0,1,0,0,0,0|2,0,1]=4 294 B15R1.4027 COc1cc(ccc1N)C=CC(C)(C)O 271570a_200016258132_100011279103 [0,1,0,0,0,0|2,0,1]=4 295 B15R1.4027 COc1cc(ccc1O)C=CC(C)(C)C 271570a_100102527731_100000694246 [0,1,0,0,0,0|2,0,1]=4 296 B15R1.4027 COc1cc(ccc1O)C=CC(C)(C)O 271570a_200016258132_100000694246 [0,1,0,0,0,0|1,0,1]=3 297 B15R1.4027 COc1nc(ccc1O)C=CC(C)(C)O 271570a_200016258132_100010893133 [0,1,0,0,0,0|2,0,1]=4 298 B15R1.4037 C=C(C)CC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000748629 [0,1,0,0,0,0|2,0,1]=4 299 B15R1.4037 C=C(F)CC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100009893438 [0,1,0,0,0,0|2,0,1]=4 300 B15R1.4037 COc1cc(ccc1Br)C(=O)CC(=O)C 1458a_100000070787_200010710740 [0,1,0,0,0,0|2,0,1]=4 301 B15R1.4037 COc1cc(ccc1Br)C(=O)CC(=O)N 1458a_100011934951_100000187820 [0,1,0,0,0,0|2,0,1]=4 302 B15R1.4037 COc1cc(ccc1Br)C(=O)CC(=O)[O-] 1458a_100011934951_100020667443 [0,1,0,0,0,0|1,0,2]=4 303 B15R1.4037 COc1cc(ccc1C)C(=O)CC(=O)N 1458a_100000212341_100000187820 [0,1,0,0,0,0|2,0,1]=4 304 B15R1.4037 COc1cc(ccc1C)C(=O)CC(=O)[O-] 1458a_100000212341_100020667443 [0,1,0,0,0,0|1,0,2]=4 305 B15R1.4037 COc1cc(ccc1Cl)C(=O)CC(=O)N 1458a_100000181799_100000187820 [0,1,0,0,0,0|2,0,1]=4 306 B15R1.4037 COc1cc(ccc1Cl)C(=O)CC(=O)[O-] 1458a_100000181799_100020667443 [0,1,0,0,0,0|1,0,2]=4 307 B15R1.4037 COc1cc(ccc1F)C(=O)CC(=O)C 1458a_100000070787_200012348595 [0,1,0,0,0,0|2,0,1]=4 308 B15R1.4037 COc1cc(ccc1F)C(=O)CC(=O)N 1458a_100000757635_100000187820 [0,1,0,0,0,0|2,0,1]=4 309 B15R1.4037 COc1cc(ccc1F)C(=O)CC(=O)[O-] 1458a_100000757635_100020667443 [0,1,0,0,0,0|1,0,2]=4 310 B15R1.4037 COc1cc(ccc1I)C(=O)CC(=O)N 1458a_100012356290_100000187820 [0,1,0,0,0,0|2,0,1]=4 311 B15R1.4037 COc1cc(ccc1I)C(=O)CC(=O)[O-] 1458a_100012356290_100020667443 [0,1,0,0,0,0|1,0,2]=4 312 B15R1.4037 COc1cc(ccc1O)C(=O)CC(=O)C 1458a_100000070787_100010206313 [0,1,0,0,0,0|1,0,1]=3 313 B15R1.4037 COc1cc(ccc1O)C(=O)CC(=O)N 1458a_100000687070_100000187820 [0,1,0,0,0,0|1,0,1]=3 314 B15R1.4037 COc1cc(ccc1O)C(=O)CC(=O)[O-] 1458a_100000687070_100020667443 [0,1,0,0,0,0|0,0,2]=3 315 B15R1.4037 COc1cc(ccc1O)C(=O)CC(C)O 1458a_100000687070_100011218427 [0,1,0,0,0,0|1,0,2]=4 316 B15R1.4037 COc1cc(ccc1O)C(=O)C[N+](=O)[O-] 1458a_100000687070_100000761209 [0,1,0,0,0,0|1,0,2]=4 317 B15R1.4038 C=C(C)C(=O)Nc1ccc(c(c1)OC)O 22a_100000726020_100000185857 [0,1,0,0,0,0|3,0,0]=4 318 B15R1.4038 C=C(Cl)C(=O)Nc1ccc(c(c1)OC)O 22a_100000726020_100000039160 [0,1,0,0,0,0|3,0,0]=4 319 B15R1.4038 C=C(F)C(=O)Nc1ccc(c(c1)OC)O 22a_100000726020_100000036797 [0,1,0,0,0,0|3,0,0]=4 320 B15R1.4038 COc1cc(ccc1Br)NC(=O)C(=O)N 22a_100000765947_100011215815 [0,1,0,0,0,0|3,0,0]=4 321 B15R1.4038 COc1cc(ccc1C)NC(=O)C(=O)N 22a_100011279678_100011215815 [0,1,0,0,0,0|3,0,0]=4 322 B15R1.4038 COc1cc(ccc1Cl)NC(=O)C(=O)N 22a_100000742311_100011215815 [0,1,0,0,0,0|3,0,0]=4 323 B15R1.4038 COc1cc(ccc1F)NC(=O)C(=O)N 22a_100000701188_100011215815 [0,1,0,0,0,0|3,0,0]=4 324 B15R1.4038 COc1cc(ccc1I)NC(=O)C(=O)N 22a_100000746945_100011215815 [0,1,0,0,0,0|3,0,0]=4 325 B15R1.4038 COc1cc(ccc1O)NC(=O)C(=O)N 22a_100000726020_100011215815 [0,1,0,0,0,0|2,0,0]=3 326 B15R1.4038 COc1cc(ccc1O)NC(=O)C(O)O 22a_100000726020_100000233687 [0,1,0,0,0,0|1,0,2]=4 327 B15R1.4038 COc1cc(ccc1O)NC(=O)[C@@H](C)O 22a_100000726020_100000717761 [0,1,0,0,0,0|2,0,1]=4 328 B15R1.4038 COc1cc(ccc1O)NC(=O)[C@H](C)O 22a_100000726020_217856618621 [0,1,0,0,0,0|2,0,1]=4 329 B15R1.4038 COc1cc(ccc1O)NC(C)C(=O)N 34a_100000726020_100000702099 [0,1,0,0,0,0|2,0,1]=4 330 B15R1.4038 COc1cc(ccc1O)NC(F)C(=O)N 34a_100000726020_100009813875 [0,1,0,0,0,0|2,0,1]=4 331 B15R1.4038 COc1cc(ccc1O)NC(F)C(=O)[O-] 34a_100000726020_100020610796 [0,1,0,0,0,0|1,0,2]=4 332 B15R1.4038 COc1cc(ccc1O)SC(C)C(=O)C 62a_100009814033_100000694246 [0,1,0,0,0,0|2,0,1]=4 333 B15R1.4038 COc1cc(ccc1O)SC(C)C(=O)N 62a_100000702099_100000694246 [0,1,0,0,0,0|2,0,1]=4 334 B15R1.4038 COc1cc(ccc1O)SC(F)C(=O)N 62a_100009813875_100000694246 [0,1,0,0,0,0|2,0,1]=4 335 B15R1.4038 COc1cc(ccc1O)SC(F)C(=O)[O-] 62a_100020610796_100000694246 [0,1,0,0,0,0|1,0,2]=4 336 B15R1.4039 C#CC(=O)CCc1ccc(c(c1)OC)O 1458a_100000211873_100010741665 [0,1,0,0,0,0|1,0,2]=4 337 B15R1.4039 C=CC(=O)CCc1ccc(c(c1)OC)O 1458a_100000185746_100010741665 [0,1,0,0,0,0|1,0,2]=4 338 B15R1.4039 C=CC(=O)NCc1ccc(c(c1)OC)O 240690a_100000185554_200121576911 [0,1,0,0,0,0|2,0,1]=4 339 B15R1.4039 CCC(=O)C=Cc1ccc(c(c1)OC)Br 1458a_100016267305_100000210202 [0,1,0,0,0,0|2,0,0]=3 340 B15R1.4039 CCC(=O)C=Cc1ccc(c(c1)OC)C 6a_100000719150_100000211110 [0,1,0,0,0,0|2,0,0]=3 341 B15R1.4039 CCC(=O)C=Cc1ccc(c(c1)OC)Cl 6a_100011998524_100000211110 [0,1,0,0,0,0|2,0,0]=3 342 B15R1.4039 CCC(=O)C=Cc1ccc(c(c1)OC)F 6a_100000692873_100000211110 [0,1,0,0,0,0|2,0,0]=3 343 B15R1.4039 CCC(=O)C=Cc1ccc(c(c1)OC)O 1458a_100000182119_100000210202 [0,1,0,0,0,0|1,0,0]=2 344 B15R1.4039 CCC(=O)CCc1ccc(c(c1)OC)O 1458a_100000210414_100010741665 [0,1,0,0,0,0|1,0,2]=4 345 B15R1.4039 CCC(=O)CCc1ccc(c(c1)OC)O 1458a_100011216321_100000210202 [0,1,0,0,0,0|1,0,2]=4 346 B15R1.4039 CCC(=O)CSc1ccc(c(c1)OC)O 62a_100000747405_100000694246 [0,1,0,0,0,0|2,0,1]=4 347 B15R1.4039 CCC(=O)NCc1ccc(c(c1)OC)O 11a_100000185554_100000210414 [0,1,0,0,0,0|2,0,1]=4 348 B15R1.4039 CCC(=O)NCc1ccc(c(c1)OC)O 240690a_100000185554_100000210414 [0,1,0,0,0,0|2,0,1]=4 349 B15R1.4039 CCC(=O)NCc1ccc(c(c1)OC)O 527a_100000185554_100000210414 [0,1,0,0,0,0|2,0,1]=4 350 B15R1.4039 CCc1cc(ccc1O)SCC(=O)OC 62a_100000747449_100012338938 [0,1,0,0,0,0|2,0,1]=4 351 B15R1.4039 CNC(=O)C=Cc1ccc(c(c1)OC)Br 11a_106832991635_100016267305 [0,1,0,0,0,0|2,0,0]=3 352 B15R1.4039 CNC(=O)C=Cc1ccc(c(c1)OC)Br 1626a_100102657272_100016267305 [0,1,0,0,0,0|2,0,0]=3 353 B15R1.4039 CNC(=O)C=Cc1ccc(c(c1)OC)Br 240690a_100102657272_100016267305 [0,1,0,0,0,0|2,0,0]=3 354 B15R1.4039 CNC(=O)CCc1ccc(c(c1)OC)O 240690a_100102657272_100011216321 [0,1,0,0,0,0|1,0,2]=4 355 B15R1.4039 CNC(=O)CNc1ccc(c(c1)OC)O 34a_100000726020_100000183359 [0,1,0,0,0,0|2,0,1]=4 356 B15R1.4039 CNC(=O)CSc1ccc(c(c1)OC)O 62a_100000183359_100000694246 [0,1,0,0,0,0|2,0,1]=4 357 B15R1.4039 CNC(=O)NCc1ccc(c(c1)OC)O 2708a_100000185554_106832991635 [0,1,0,0,0,0|2,0,1]=4 358 B15R1.4039 CNC(=O)NCc1ccc(c(c1)OC)O 2708a_100102657272_100000185554 [0,1,0,0,0,0|2,0,1]=4 359 B15R1.4039 CNC(=O)NCc1ccc(c(c1)OC)O 273464a_100000185554_100102657272 [0,1,0,0,0,0|2,0,1]=4 360 B15R1.4039 CNC(=O)NCc1ccc(c(c1)OC)O 273464a_100102657272_100000185554 [0,1,0,0,0,0|2,0,1]=4 361 B15R1.4039 CNC(=O)NCc1ccc(c(c1)OC)O 512a_106832991638_100000185554 [0,1,0,0,0,0|2,0,1]=4 362 B15R1.4039 COC(=O)CNc1ccc(c(c1)OC)Br 2230a_100000765947_100000747449 [0,1,0,0,0,0|2,0,1]=4 363 B15R1.4039 COC(=O)CNc1ccc(c(c1)OC)Br 34a_100000765947_100000747449 [0,1,0,0,0,0|2,0,1]=4 364 B15R1.4039 COC(=O)CNc1ccc(c(c1)OC)C 2230a_100011279678_100000747449 [0,1,0,0,0,0|2,0,1]=4 365 B15R1.4039 COC(=O)CNc1ccc(c(c1)OC)C 34a_100011279678_100000747449 [0,1,0,0,0,0|2,0,1]=4 366 B15R1.4039 COC(=O)CNc1ccc(c(c1)OC)Cl 2230a_100000742311_100000747449 [0,1,0,0,0,0|2,0,1]=4 367 B15R1.4039 COC(=O)CNc1ccc(c(c1)OC)Cl 34a_100000742311_100000747449 [0,1,0,0,0,0|2,0,1]=4 368 B15R1.4039 COC(=O)CNc1ccc(c(c1)OC)F 2230a_100000701188_100000747449 [0,1,0,0,0,0|2,0,1]=4 369 B15R1.4039 COC(=O)CNc1ccc(c(c1)OC)F 34a_100000701188_100000747449 [0,1,0,0,0,0|2,0,1]=4 370 B15R1.4039 COC(=O)CNc1ccc(c(c1)OC)I 34a_100000746945_100000747449 [0,1,0,0,0,0|2,0,1]=4 371 B15R1.4039 COC(=O)CNc1ccc(c(c1)OC)O 34a_100000726020_100000747449 [0,1,0,0,0,0|1,0,1]=3 372 B15R1.4039 COC(=O)COc1ccc(c(c1)OC)Br 34a_100011827694_100000747449 [0,1,0,0,0,0|2,0,1]=4 373 B15R1.4039 COC(=O)COc1ccc(c(c1)OC)Br 7a_100011827694_100000747449 [0,1,0,0,0,0|2,0,1]=4 374 B15R1.4039 COC(=O)COc1ccc(c(c1)OC)C 34a_100009865632_100000747449 [0,1,0,0,0,0|2,0,1]=4 375 B15R1.4039 COC(=O)COc1ccc(c(c1)OC)C 7a_100009865632_100000747449 [0,1,0,0,0,0|2,0,1]=4 376 B15R1.4039 COC(=O)COc1ccc(c(c1)OC)Cl 34a_100012186310_100000747449 [0,1,0,0,0,0|2,0,1]=4 377 B15R1.4039 COC(=O)COc1ccc(c(c1)OC)Cl 7a_100012186310_100000747449 [0,1,0,0,0,0|2,0,1]=4 378 B15R1.4039 COC(=O)COc1ccc(c(c1)OC)F 34a_100012001760_100000747449 [0,1,0,0,0,0|2,0,1]=4 379 B15R1.4039 COC(=O)COc1ccc(c(c1)OC)F 7a_100012001760_100000747449 [0,1,0,0,0,0|2,0,1]=4 380 B15R1.4039 COC(=O)COc1ccc(c(c1)OC)N 34a_100015326901_100000747449 [0,1,0,0,0,0|2,0,1]=4 381 B15R1.4039 COC(=O)COc1ccc(c(c1)OC)N 7a_100015326901_100000747449 [0,1,0,0,0,0|2,0,1]=4 382 B15R1.4039 COC(=O)CSc1ccc(c(c1)OC)Br 62a_100000747449_100012353699 [0,1,0,0,0,0|2,0,1]=4 383 B15R1.4039 COC(=O)CSc1ccc(c(c1)OC)Br 62a_100012353699_100000747449 [0,1,0,0,0,0|2,0,1]=4 384 B15R1.4039 COC(=O)CSc1ccc(c(c1)OC)C 62a_100000747449_100011830276 [0,1,0,0,0,0|2,0,1]=4 385 B15R1.4039 COC(=O)CSc1ccc(c(c1)OC)C 62a_100011830276_100000747449 [0,1,0,0,0,0|2,0,1]=4 386 B15R1.4039 COC(=O)CSc1ccc(c(c1)OC)Cl 62a_100000747449_100011356853 [0,1,0,0,0,0|2,0,1]=4 387 B15R1.4039 COC(=O)CSc1ccc(c(c1)OC)Cl 62a_100011356853_100000747449 [0,1,0,0,0,0|2,0,1]=4 388 B15R1.4039 COC(=O)CSc1ccc(c(c1)OC)F 62a_100000747449_100011934186 [0,1,0,0,0,0|2,0,1]=4 389 B15R1.4039 COC(=O)CSc1ccc(c(c1)OC)F 62a_100011934186_100000747449 [0,1,0,0,0,0|2,0,1]=4 390 B15R1.4039 COC(=O)CSc1ccc(c(c1)OC)N 62a_100000747449_100015196925 [0,1,0,0,0,0|2,0,1]=4 391 B15R1.4039 COC(=O)CSc1ccc(c(c1)OC)N 62a_100011279103_100000747449 [0,1,0,0,0,0|2,0,1]=4 392 B15R1.4039 COC(=O)CSc1ccc(c(c1)OC)O 62a_100000747449_100000694246 [0,1,0,0,0,0|1,0,1]=3 393 B15R1.4039 COC(=O)CSc1ccc(c(n1)OC)O 62a_100000747449_100010893133 [0,1,0,0,0,0|2,0,1]=4 394 B15R1.4039 COc1cc(ccc1Br)C=CC(=O)CF 1458a_100016267305_100015361967 [0,1,0,0,0,0|2,0,0]=3 395 B15R1.4039 COc1cc(ccc1C)C=CC(=O)CBr 6a_100000719150_100009888967 [0,1,0,0,0,0|2,0,0]=3 396 B15R1.4039 COc1cc(ccc1C)C=CC(=O)CCl 6a_100000719150_100000086384 [0,1,0,0,0,0|2,0,0]=3 397 B15R1.4039 COc1cc(ccc1C)C=CC(=O)CF 6a_100000719150_100000764096 [0,1,0,0,0,0|2,0,0]=3 398 B15R1.4039 COc1cc(ccc1Cl)C=CC(=O)CBr 6a_100011998524_100009888967 [0,1,0,0,0,0|2,0,0]=3 399 B15R1.4039 COc1cc(ccc1Cl)C=CC(=O)CCl 6a_100011998524_100000086384 [0,1,0,0,0,0|2,0,0]=3 400 B15R1.4039 COc1cc(ccc1Cl)C=CC(=O)CF 6a_100011998524_100000764096 [0,1,0,0,0,0|2,0,0]=3 401 B15R1.4039 COc1cc(ccc1Cl)CNC(=O)CO 240690a_100015204853_100000210174 [0,1,0,0,0,0|2,0,1]=4 402 B15R1.4039 COc1cc(ccc1Cl)CNC(=O)CO 527a_100015204853_100000210174 [0,1,0,0,0,0|2,0,1]=4 403 B15R1.4039 COc1cc(ccc1F)C=CC(=O)CBr 6a_100000692873_100009888967 [0,1,0,0,0,0|2,0,0]=3 404 B15R1.4039 COc1cc(ccc1F)C=CC(=O)CCl 6a_100000692873_100000086384 [0,1,0,0,0,0|2,0,0]=3 405 B15R1.4039 COc1cc(ccc1F)C=CC(=O)CF 6a_100000692873_100000764096 [0,1,0,0,0,0|2,0,0]=3 406 B15R1.4039 COc1cc(ccc1F)CNC(=O)CO 240690a_100020626639_100000210174 [0,1,0,0,0,0|2,0,1]=4 407 B15R1.4039 COc1cc(ccc1F)CNC(=O)CO 527a_100020626639_100000210174 [0,1,0,0,0,0|2,0,1]=4 408 B15R1.4039 COc1cc(ccc1F)NNC(=O)CO 22a_102515433066_100000210174 [0,1,0,0,0,0|3,0,0]=4 409 B15R1.4039 COc1cc(ccc1O)C=CC(=O)CF 1458a_100000182119_100015361967 [0,1,0,0,0,0|1,0,0]=2 410 B15R1.4039 COc1cc(ccc1O)CCC(=O)CF 1458a_100011216321_100015361967 [0,1,0,0,0,0|1,0,2]=4 411 B15R1.4039 COc1cc(ccc1O)CCC(=O)CO 1458a_100000210174_100010741665 [0,1,0,0,0,0|0,0,2]=3 412 B15R1.4039 COc1cc(ccc1O)CNC(=O)CO 240690a_100000185554_100000210174 [0,1,0,0,0,0|1,0,1]=3 413 B15R1.4039 COc1cc(ccc1O)CNC(=O)CO 527a_100000185554_100000210174 [0,1,0,0,0,0|1,0,1]=3 414 B15R1.5194 COc1c(ccc(c1F)C=CC(=O)C)Cl 1458a_100020621803_200000210301 [0,1,0,0,0,0|2,0,0]=3 415 B15R1.5194 COc1c(ccc(c1F)C=CC(=O)[13CH3])Cl 1458a_100020621803_200025704644 [0,1,0,0,0,0|2,0,0]=3 416 B15R1.5194 COc1c(ccc(c1F)C=CC(C)O)Cl 271570a_200011019289_200135222481 [0,1,0,0,0,0|2,0,1]=4 417 B15R1.5194 COc1c(ccc(c1F)C=CC(C)O)N 271570a_200011019289_100010734149 [0,1,0,0,0,0|2,0,1]=4 418 B15R1.12854 C=Cc1cc(ccc1OC)/C=C/C(=O)C 271570a_100011290941_200016254069 [0,1,0,0,0,0|2,0,1]=4 419 B15R1.12854 CCc1cc(ccc1OC)C=CC(C)O 271570a_200011019289_200010179862 [0,1,0,0,0,0|2,0,1]=4 420 B15R1.12854 CCc1ccc(cc1OC)C=CC(C)O 271570a_200011019289_200010710398 [0,1,0,0,0,0|2,0,1]=4 421 B15R1.12854 COc1cc(ccc1C#N)C=CC(C)O 271570a_200011019289_100000694671 [0,1,0,0,0,0|2,0,1]=4 422 B15R1.12854 COc1cc(ccc1C=O)C=CC(C)O 271570a_200011019289_100000697075 [0,1,0,0,0,0|1,0,2]=4 423 B15R1.12854 COc1cc(ccc1CO)C=CC(C)C 271570a_100016257149_100011277633 [0,1,0,0,0,0|2,0,1]=4 424 B15R1.12854 COc1cc(ccc1CO)C=CC(C)O 271570a_200011019289_100011277633 [0,1,0,0,0,0|1,0,1]=3 425 B15R1.12854 COc1cc(ccc1CO)NCC(=O)N 34a_100012183141_100000187820 [0,1,0,0,0,0|2,0,1]=4 426 B15R1.12854 COc1cc(ccc1CO)NCC(=O)[O-] 34a_100012183141_100020667443 [0,1,0,0,0,0|1,0,2]=4 427 B15R1.12854 COc1cc(ccc1CO)OCC(=O)C 1458a_200000048963_200000210301 [0,1,0,0,0,0|2,0,1]=4 428 B15R1.12854 COc1cc(ccc1CO)OCC(=O)N 34a_200000116926_100000187820 [0,1,0,0,0,0|2,0,1]=4 429 B15R1.12854 COc1cc(ccc1CO)OCC(=O)[13CH3] 1458a_200000048963_200025704644 [0,1,0,0,0,0|2,0,1]=4 430 B15R1.12854 COc1cc(ccc1CO)OCC(=O)[O-] 34a_200000116926_100020667443 [0,1,0,0,0,0|1,0,2]=4 431 B15R1.12854 COc1cc(ccc1CO)SCC(=O)N 62a_100000747473_100011277633 [0,1,0,0,0,0|2,0,1]=4 432 B15R1.12854 COc1cc(ccc1CO)SCC(=O)N 62a_100011277633_100000747473 [0,1,0,0,0,0|2,0,1]=4 433 B15R1.12854 COc1cc(ccc1CO)SCC(=O)[O-] 62a_100011277633_100020667443 [0,1,0,0,0,0|1,0,2]=4 434 B15R1.12854 COc1cc(ccc1CO)SCC(=O)[O-] 62a_100020667443_100011277633 [0,1,0,0,0,0|1,0,2]=4 435 B15R1.12854 COc1cc(ccc1O[13CH3])/C=C/C(=O)C 34a_100102526088_200025704644 [0,1,0,0,0,0|1,0,0]=2 436 B15R1.12854 COc1cc(ccc1O[13CH3])C=C[N+](=O)[O-] 34a_200103042931_200025704644 [0,1,0,0,0,0|1,0,1]=3 437 B15R1.12854 COc1cc(ccc1O[13CH3])CCC(=O)C 34a_100011290831_200025704644 [0,1,0,0,0,0|1,0,2]=4 438 B15R1.12854 COc1cc(ccc1O[13CH3])CCC(=O)C 7a_100011290831_200025704644 [0,1,0,0,0,0|1,0,2]=4 439 B15R1.12854 COc1cc(ccc1O[13CH3])CNC(=O)C 34a_100000046322_200025704644 [0,1,0,0,0,0|2,0,1]=4 440 B15R1.12854 COc1cc(ccc1O[13CH3])CNC(=O)C 7a_100000046322_200025704644 [0,1,0,0,0,0|2,0,1]=4 441 B15R1.12854 COc1cc(ccc1SC)C=CC(C)O 271570a_200011019289_200011001119 [0,1,0,0,0,0|1,1,1]=4 442 B15R1.12854 COc1cc(cnc1CO)C=CC(C)O 271570a_200011019289_200010246159 [0,1,0,0,0,0|2,0,1]=4 443 B15R1.12854 COc1cc(cnc1OC)C=CC(C)O 271570a_200011019289_100010234541 [0,1,0,0,0,0|2,0,1]=4 444 B15R1.12854 COc1cc(ncc1CO)C=CC(C)O 271570a_200011019289_100010714672 [0,1,0,0,0,0|2,0,1]=4 445 B15R1.12854 COc1ccc(cc1OC)/C=C/C(=O)C 34a_100102526088_200000210301 [0,1,0,0,0,0|1,0,0]=2 446 B15R1.12854 COc1ccc(cc1OC)/C=C/[N+](=O)[O-] 34a_100016278493_200000210301 [0,1,0,0,0,0|1,0,1]=3 447 B15R1.12854 COc1ccc(cc1OC)C=CC(=O)C 1458a_100015194992_200000210301 [0,1,0,0,0,0|1,0,0]=2 448 B15R1.12854 COc1ccc(cc1OC)C=CC(=O)[13CH3] 1458a_100015194992_200025704644 [0,1,0,0,0,0|1,0,0]=2 449 B15R1.12854 COc1ccc(cc1OC)C=CC(C)C 271570a_100016257149_100000187503 [0,1,0,0,0,0|2,0,1]=4 450 B15R1.12854 COc1ccc(cc1OC)C=CC(C)O 271570a_200011019289_100000187503 [0,1,0,0,0,0|1,0,1]=3 451 B15R1.12854 COc1ccc(cc1OC)C=C[N+](=O)[O-] 34a_200103042931_200000210301 [0,1,0,0,0,0|1,0,1]=3 452 B15R1.12854 COc1ccc(cc1OC)CCC(=O)C 1458a_100000070787_100011740610 [0,1,0,0,0,0|1,0,2]=4 453 B15R1.12854 COc1ccc(cc1OC)CCC(=O)C 1458a_100000187252_200000210301 [0,1,0,0,0,0|1,0,2]=4 454 B15R1.12854 COc1ccc(cc1OC)CCC(=O)C 34a_100011290831_200000210301 [0,1,0,0,0,0|1,0,2]=4 455 B15R1.12854 COc1ccc(cc1OC)CCC(=O)C 7a_100011290831_200000210301 [0,1,0,0,0,0|1,0,2]=4 456 B15R1.12854 COc1ccc(cc1OC)CCC(=O)[13CH3] 1458a_100000187252_200025704644 [0,1,0,0,0,0|1,0,2]=4 457 B15R1.12854 COc1ccc(cc1OC)CNC(=O)C 11a_100000185555_100015343762 [0,1,0,0,0,0|2,0,1]=4 458 B15R1.12854 COc1ccc(cc1OC)CNC(=O)C 1626a_100000185555_100015343762 [0,1,0,0,0,0|2,0,1]=4 459 B15R1.12854 COc1ccc(cc1OC)CNC(=O)C 240690a_100000185555_100015343762 [0,1,0,0,0,0|2,0,1]=4 460 B15R1.12854 COc1ccc(cc1OC)CNC(=O)C 34a_100000046322_200000210301 [0,1,0,0,0,0|2,0,1]=4 461 B15R1.12854 COc1ccc(cc1OC)CNC(=O)C 527a_100000185555_100103153847 [0,1,0,0,0,0|2,0,1]=4 462 B15R1.12854 COc1ccc(cc1OC)CNC(=O)C 7a_100000046322_200000210301 [0,1,0,0,0,0|2,0,1]=4 463 B15R1.12854 COc1ccc(cc1OC)NCC(=O)N 34a_100000187404_100000187820 [0,1,0,0,0,0|2,0,1]=4 464 B15R1.12854 COc1ccc(cc1OC)NCC(=O)[O-] 34a_100000187404_100020667443 [0,1,0,0,0,0|1,0,2]=4 465 B15R1.12854 COc1ccc(cc1OC)OCC(=O)N 34a_100000039706_100000187820 [0,1,0,0,0,0|2,0,1]=4 466 B15R1.12854 COc1ccc(cc1OC)OCC(=O)[O-] 34a_100000039706_100020667443 [0,1,0,0,0,0|1,0,2]=4 467 B15R1.12854 COc1ccc(cc1OC)SCC(=O)N 62a_100000747473_100011356967 [0,1,0,0,0,0|2,0,1]=4 468 B15R1.12854 COc1ccc(cc1OC)SCC(=O)[O-] 62a_100020667443_100011356967 [0,1,0,0,0,0|1,0,2]=4 469 B15R1.12854 COc1ccc(cc1O[13CH3])/C=C/[N+](=O)[O-] 34a_100016278493_200025704644 [0,1,0,0,0,0|1,0,1]=3 470 B15R1.12854 COc1ccc(cc1SC)/C=C/C(=O)C 62a_200000210301_200016254069 [0,1,0,0,0,0|1,1,0]=3 471 B15R1.12854 COc1ccc(cc1SC)/C=C/C(=O)C 62a_200016254069_200000210301 [0,1,0,0,0,0|1,1,0]=3 472 B15R1.12854 COc1ccc(cc1SC)C=CC(C)O 271570a_200011019289_200009892704 [0,1,0,0,0,0|1,1,1]=4 473 B15R1.12854 COc1ccc(cc1S[13CH3])/C=C/C(=O)C 62a_200016254069_200025704644 [0,1,0,0,0,0|1,1,0]=3 474 B15R1.12854 COc1ccc(cc1S[13CH3])/C=C/C(=O)C 62a_200025704644_200016254069 [0,1,0,0,0,0|1,1,0]=3 475 B15R1.12854 COc1ccc(nc1OC)C=CC(C)O 271570a_200011019289_100010214848 [0,1,0,0,0,0|2,0,1]=4 476 B15R1.12854 COc1nc(ccc1CO)C=CC(C)O 271570a_200011019289_100010988397 [0,1,0,0,0,0|2,0,1]=4 477 B15R2.1754 C=Cc1cc2ccc(cc2cc1O)O 271570a_100011290941_100010179872 [0,0,0,1,0,0|2,0,1]=4 478 B15R2.1754 CSc1cc2ccc(cc2cc1O)O 62a_200000210301_100010179872 [0,0,0,1,0,0|1,1,0]=3 479 B15R2.1754 [13CH3]Sc1cc2ccc(cc2cc1O)O 62a_200025704644_100010179872 [0,0,0,1,0,0|1,1,0]=3 480 B15R2.4522 COc1cc(ccc1O)C=CC2CC2 271570a_100102526188_100000694246 [0,0,0,1,0,0|2,0,1]=4 481 B15R2.7688 CC(=O)C=Cc1ccc2c(c1)CCO2 1458a_100000241297_200000210301 [0,0,0,1,0,0|2,0,0]=3 482 B15R2.7688 CC(=O)C=Cc1ccc2c(c1)OCO2 1458a_100000182195_200000210301 [0,0,0,1,0,0|1,0,0]=2 483 B15R2.7688 CC(=O)CCc1ccc2c(c1)OCO2 1458a_100000235677_200000210301 [0,0,0,1,0,0|1,0,2]=4 484 B15R2.7688 CC(=O)COc1ccc2c(c1)OCO2 1458a_100000246017_200000210301 [0,0,0,1,0,0|2,0,1]=4 485 B15R2.7688 CC(=O)NCc1ccc2c(c1)OCO2 11a_100000210006_100015343762 [0,0,0,1,0,0|2,0,1]=4 486 B15R2.7688 CC(=O)NCc1ccc2c(c1)OCO2 1626a_100000210006_100015343762 [0,0,0,1,0,0|2,0,1]=4 487 B15R2.7688 CC(=O)NCc1ccc2c(c1)OCO2 240690a_100000210006_100015343762 [0,0,0,1,0,0|2,0,1]=4 488 B15R2.7688 CC(=O)NCc1ccc2c(c1)OCO2 527a_100000210006_100103153847 [0,0,0,1,0,0|2,0,1]=4 489 B15R2.7688 CC(C)C=Cc1ccc2c(c1)OCO2 271570a_100016257149_100000688060 [0,0,0,1,0,0|2,0,1]=4 490 B15R2.7688 CC(O)C=Cc1ccc2c(c1)CCO2 271570a_200011019289_100000729065 [0,0,0,1,0,0|2,0,1]=4 491 B15R2.7688 CC(O)C=Cc1ccc2c(c1)OCC2 271570a_200011019289_100009818566 [0,0,0,1,0,0|2,0,1]=4 492 B15R2.7688 CC(O)C=Cc1ccc2c(c1)OCO2 271570a_200011019289_100000688060 [0,0,0,1,0,0|1,0,1]=3 493 B15R2.7688 NC(=O)CNc1ccc2c(c1)OCO2 2230a_100000209953_100000747473 [0,0,0,1,0,0|2,0,1]=4 494 B15R2.7688 NC(=O)CNc1ccc2c(c1)OCO2 34a_100000209953_100000187820 [0,0,0,1,0,0|2,0,1]=4 495 B15R2.7688 NC(=O)COc1ccc2c(c1)OCO2 34a_100000210298_100000187820 [0,0,0,1,0,0|2,0,1]=4 496 B15R2.7688 O=C([O-])CNc1ccc2c(c1)OCO2 34a_100000209953_100020667443 [0,0,0,1,0,0|1,0,2]=4 497 B15R2.7688 O=C([O-])COc1ccc2c(c1)OCO2 34a_100000210298_100020667443 [0,0,0,1,0,0|1,0,2]=4 498 B15R2.7688 [13CH3]C(=O)C=Cc1ccc2c(c1)CCO2 1458a_100000241297_200025704644 [0,0,0,1,0,0|2,0,0]=3 499 B15R2.7688 [13CH3]C(=O)C=Cc1ccc2c(c1)OCO2 1458a_100000182195_200025704644 [0,0,0,1,0,0|1,0,0]=2 500 B15R2.7688 [13CH3]C(=O)CCc1ccc2c(c1)OCO2 1458a_100000235677_200025704644 [0,0,0,1,0,0|1,0,2]=4 501 B15R2.7688 [13CH3]C(=O)COc1ccc2c(c1)OCO2 1458a_100000246017_200025704644 [0,0,0,1,0,0|2,0,1]=4 502 B13R1.52 CC(=O)Cc1ccc(c(c1)S[13CH3])O 62a_100010141077_200025704644 [0,0,0,0,1,0|1,1,1]=4 503 B13R1.52 CC(=O)Cc1ccc(c(c1)S[13CH3])O 62a_200025704644_100010141077 [0,0,0,0,1,0|1,1,1]=4 504 B13R1.52 CC(=O)Nc1ccc(c(c1)O[13CH3])Cl 34a_100011935283_200025704644 [0,0,0,0,1,0|3,0,0]=4 505 B13R1.52 CC(=O)Nc1ccc(c(c1)O[13CH3])Cl 7a_100011935283_200025704644 [0,0,0,0,1,0|3,0,0]=4 506 B13R1.52 CCc1cc(ccc1O)C=C(C)C 271570a_100102525489_100012338938 [0,0,0,0,1,0|3,0,0]=4 507 B13R1.52 COc1cc(ccc1Br)C=C(C)C 271570a_100102525489_100012353699 [0,0,0,0,1,0|3,0,0]=4 508 B13R1.52 COc1cc(ccc1Br)CC(=O)C 1458a_100000070787_100010110085 [0,0,0,0,1,0|2,0,1]=4 509 B13R1.52 COc1cc(ccc1Br)CC(=O)C 1458a_200010002685_200000210301 [0,0,0,0,1,0|2,0,1]=4 510 B13R1.52 COc1cc(ccc1Br)CC(=O)[13CH3] 1458a_200010002685_200025704644 [0,0,0,0,1,0|2,0,1]=4 511 B13R1.52 COc1cc(ccc1Br)NC(=O)C 11a_100000765947_100015343762 [0,0,0,0,1,0|3,0,0]=4 512 B13R1.52 COc1cc(ccc1Br)NC(=O)C 1626a_100000765947_100015343762 [0,0,0,0,1,0|3,0,0]=4 513 B13R1.52 COc1cc(ccc1Br)NC(=O)C 22a_100000765947_100000070787 [0,0,0,0,1,0|3,0,0]=4 514 B13R1.52 COc1cc(ccc1Br)NC(=O)C 527a_100000765947_100103153847 [0,0,0,0,1,0|3,0,0]=4 515 B13R1.52 COc1cc(ccc1C)C=C(C)C 271570a_100102525489_100011830276 [0,0,0,0,1,0|3,0,0]=4 516 B13R1.52 COc1cc(ccc1C)NC(=O)C 11a_100011279678_100015343762 [0,0,0,0,1,0|3,0,0]=4 517 B13R1.52 COc1cc(ccc1C)NC(=O)C 1626a_100011279678_100015343762 [0,0,0,0,1,0|3,0,0]=4 518 B13R1.52 COc1cc(ccc1C)NC(=O)C 22a_100011279678_100000070787 [0,0,0,0,1,0|3,0,0]=4 519 B13R1.52 COc1cc(ccc1C)NC(=O)C 527a_100011279678_100103153847 [0,0,0,0,1,0|3,0,0]=4 520 B13R1.52 COc1cc(ccc1Cl)C=C(C)C 271570a_100102525489_100011356853 [0,0,0,0,1,0|3,0,0]=4 521 B13R1.52 COc1cc(ccc1Cl)CC(=O)C 1458a_100000070787_200010214485 [0,0,0,0,1,0|2,0,1]=4 522 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 11a_100000742311_100015343762 [0,0,0,0,1,0|3,0,0]=4 523 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 1626a_100000742311_100015343762 [0,0,0,0,1,0|3,0,0]=4 524 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 22a_100000742311_100000070787 [0,0,0,0,1,0|3,0,0]=4 525 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 34a_100011935283_200000210301 [0,0,0,0,1,0|3,0,0]=4 526 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 527a_100000742311_100103153847 [0,0,0,0,1,0|3,0,0]=4 527 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 7a_100011935283_200000210301 [0,0,0,0,1,0|3,0,0]=4 528 B13R1.52 COc1cc(ccc1F)C=C(C)C 271570a_100102525489_100011934186 [0,0,0,0,1,0|3,0,0]=4 529 B13R1.52 COc1cc(ccc1F)CC(=O)C 1458a_100000070787_100012349856 [0,0,0,0,1,0|2,0,1]=4 530 B13R1.52 COc1cc(ccc1F)CC(=O)C 1458a_100000117344_200000210301 [0,0,0,0,1,0|2,0,1]=4 531 B13R1.52 COc1cc(ccc1F)CC(=O)[13CH3] 1458a_100000117344_200025704644 [0,0,0,0,1,0|2,0,1]=4 532 B13R1.52 COc1cc(ccc1F)NC(=O)C 11a_100000701188_100015343762 [0,0,0,0,1,0|3,0,0]=4 533 B13R1.52 COc1cc(ccc1F)NC(=O)C 1626a_100000701188_100015343762 [0,0,0,0,1,0|3,0,0]=4 534 B13R1.52 COc1cc(ccc1F)NC(=O)C 22a_100000701188_100000070787 [0,0,0,0,1,0|3,0,0]=4 535 B13R1.52 COc1cc(ccc1F)NC(=O)C 527a_100000701188_100103153847 [0,0,0,0,1,0|3,0,0]=4 536 B13R1.52 COc1cc(ccc1I)NC(=O)C 11a_100000746945_100015343762 [0,0,0,0,1,0|3,0,0]=4 537 B13R1.52 COc1cc(ccc1I)NC(=O)C 1626a_100000746945_100015343762 [0,0,0,0,1,0|3,0,0]=4 538 B13R1.52 COc1cc(ccc1I)NC(=O)C 22a_100000746945_100000070787 [0,0,0,0,1,0|3,0,0]=4 539 B13R1.52 COc1cc(ccc1I)NC(=O)C 527a_100000746945_100103153847 [0,0,0,0,1,0|3,0,0]=4 540 B13R1.52 COc1cc(ccc1N)C=C(C)C 271570a_100102525489_100011279103 [0,0,0,0,1,0|3,0,0]=4 541 B13R1.52 COc1cc(ccc1O)C=C(C)C 271570a_100102525489_100000694246 [0,0,0,0,1,0|2,0,0]=3 542 B13R1.52 COc1cc(ccc1O)CC(=O)C 1458a_100000032101_200000210301 [0,0,0,0,1,0|1,0,1]=3 543 B13R1.52 COc1cc(ccc1O)CC(=O)[13CH3] 1458a_100000032101_200025704644 [0,0,0,0,1,0|1,0,1]=3 544 B13R1.52 COc1cc(ccc1O)NC(=O)C 22a_100000726020_100000070787 [0,0,0,0,1,0|2,0,0]=3 545 B13R1.52 COc1cc(ccc1O)NC(=O)C 527a_100000726020_100103153847 [0,0,0,0,1,0|2,0,0]=3 546 B13R1.52 COc1nc(ccc1O)C=C(C)C 271570a_100102525489_100010893133 [0,0,0,0,1,0|3,0,0]=4 547 B13R1.52 CSc1cc(ccc1O)CC(=O)C 62a_100010141077_200000210301 [0,0,0,0,1,0|1,1,1]=4 548 B13R1.52 CSc1cc(ccc1O)CC(=O)C 62a_200000210301_100010141077 [0,0,0,0,1,0|1,1,1]=4 549 B15R1.4030 COc1cc(ccc1Br)C=NNC(=O)C 4a_100000189765_100010244714 [0,0,0,0,0,1|3,0,0]=4 550 B15R1.4030 COc1cc(ccc1Br)CNCC(=O)O 269956a_100016091260_100010110085 [0,0,0,0,0,1|1,0,2]=4 551 B15R1.4030 COc1cc(ccc1C)C=NNC(=O)C 4a_100000189765_100000719150 [0,0,0,0,0,1|3,0,0]=4 552 B15R1.4030 COc1cc(ccc1Cl)C=NNC(=O)C 4a_100000189765_100011998524 [0,0,0,0,0,1|3,0,0]=4 553 B15R1.4030 COc1cc(ccc1Cl)CNCC(=O)O 269956a_100016091260_200010214485 [0,0,0,0,0,1|1,0,2]=4 554 B15R1.4030 COc1cc(ccc1F)C=NNC(=O)C 4a_100000189765_100000692873 [0,0,0,0,0,1|3,0,0]=4 555 B15R1.4030 COc1cc(ccc1F)CNCC(=O)O 269956a_100016091260_100012349856 [0,0,0,0,0,1|1,0,2]=4 556 B15R1.4030 COc1cc(ccc1O)C=CCC(C)C 271570a_100016259101_100000694246 [0,0,0,0,0,1|2,0,1]=4 557 B15R1.4030 COc1cc(ccc1O)C=NNC(=O)C 4a_100000189765_100000188322 [0,0,0,0,0,1|2,0,0]=3 558 B15R1.4030 COc1cc(ccc1O)CCNC(=O)C 240690a_100000756042_100015343762 [0,0,0,0,0,1|1,0,2]=4 559 B15R1.4030 COc1cc(ccc1O)CCNC(=O)C 527a_100000756042_100103153847 [0,0,0,0,0,1|1,0,2]=4 560 B15R1.4030 COc1cc(ccc1O)CNCC(=O)N 34a_100000185554_100000187820 [0,0,0,0,0,1|1,0,2]=4 561 B15R1.4030 COc1cc(ccc1O)CNCC(=O)[O-] 34a_100000185554_100020667443 [0,0,0,0,0,1|0,0,3]=4 562 B15R1.4030 COc1cc(ccc1O)NCC=C(C)C 34a_100000726020_100000761012 [0,0,0,0,0,1|2,0,1]=4 563 B15R1.4030 COc1cc(ccc1O)NCCC(=O)N 34a_100000726020_100000731001 [0,0,0,0,0,1|1,0,2]=4 564 B15R1.4030 COc1cc(ccc1O)NCOC(=O)C 34a_100000726020_100009813279 [0,0,0,0,0,1|2,0,1]=4 565 B15R1.4030 COc1cc(ccc1O)SCC=C(C)C 62a_100000761012_100000694246 [0,0,0,0,0,1|2,0,1]=4 566 B15R1.4030 COc1cc(ccc1O)SCCC(=O)C 62a_100000053229_100000694246 [0,0,0,0,0,1|1,0,2]=4 567 B15R1.4030 COc1cc(ccc1O)SCCC(=O)N 62a_100000744528_100000694246 [0,0,0,0,0,1|1,0,2]=4 568 B15R1.4030 COc1cc(ccc1O)SCOC(=O)C 62a_100000076356_100000694246 [0,0,0,0,0,1|2,0,1]=4 569 B12R1.21 CC(=O)/C=C/c1ccc(cc1)O 271570a_203496583355_200016259395 [2,0,0,0,0,0|1,0,0]=3 570 B12R1.21 CC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200000210301 [2,0,0,0,0,0|2,0,0]=4 571 B12R1.21 CC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_200000210301 [2,0,0,0,0,0|2,0,0]=4 572 B12R1.21 CC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200000210301 [2,0,0,0,0,0|2,0,0]=4 573 B12R1.21 CC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200000210301 [2,0,0,0,0,0|2,0,0]=4 574 B12R1.21 CC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200000210301 [2,0,0,0,0,0|2,0,0]=4 575 B12R1.21 CC(O)C=Cc1ccc(cc1)O 271570a_200011019289_100000185759 [2,0,0,0,0,0|1,0,1]=4 576 B12R1.21 Cc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000716854_200025704644 [2,0,0,0,0,0|2,0,0]=4 577 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200025704644 [2,0,0,0,0,0|2,0,0]=4 578 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200025704644 [2,0,0,0,0,0|2,0,0]=4 579 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200025704644 [2,0,0,0,0,0|2,0,0]=4 580 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200025704644 [2,0,0,0,0,0|2,0,0]=4 581 B12R1.226 CC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_200016266566 [2,0,0,0,0,0|1,0,0]=3 582 B12R1.226 CC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_200000210301 [2,0,0,0,0,0|2,0,0]=4 583 B12R1.226 CC(=O)C=Cc1cccc(c1)C 1458a_100000690095_200000210301 [2,0,0,0,0,0|1,0,0]=3 584 B12R1.226 CC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_200000210301 [2,0,0,0,0,0|2,0,0]=4 585 B12R1.226 CC(=O)C=Cc1cccc(c1)F 1458a_100000718793_200000210301 [2,0,0,0,0,0|2,0,0]=4 586 B12R1.226 CC(=O)C=Cc1cccc(c1)I 1458a_100020647043_200000210301 [2,0,0,0,0,0|2,0,0]=4 587 B12R1.226 CC(O)C=Cc1cccc(c1)O 271570a_200011019289_100000211634 [2,0,0,0,0,0|1,0,1]=4 588 B12R1.226 Cc1cccc(c1)C=CC(=O)[13CH3] 1458a_100000690095_200025704644 [2,0,0,0,0,0|1,0,0]=3 589 B12R1.226 Cc1cccc(c1)C=CC(C)O 271570a_200011019289_100011215228 [2,0,0,0,0,0|1,0,1]=4 590 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)Br 1458a_100016258244_200025704644 [2,0,0,0,0,0|2,0,0]=4 591 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_200025704644 [2,0,0,0,0,0|2,0,0]=4 592 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)F 1458a_100000718793_200025704644 [2,0,0,0,0,0|2,0,0]=4 593 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)I 1458a_100020647043_200025704644 [2,0,0,0,0,0|2,0,0]=4 594 B12R1.385 Cc1cc(ccc1O)NCC=O 34a_100011218179_200009817547 [2,0,0,0,0,0|1,0,1]=4 595 B12R1.385 Cc1cc(ccc1O)NCC=O 7a_100011218179_200015260668 [2,0,0,0,0,0|1,0,1]=4 596 B12R1.385 Cc1cc(ccc1O)SCC=O 62a_200015260668_100000186361 [2,0,0,0,0,0|1,0,1]=4 597 B12R1.385 O=CCNc1ccc(c(c1)O)O 34a_100102946323_200009817547 [2,0,0,0,0,0|1,0,1]=4 598 B12R1.385 O=CCSc1ccc(c(c1)O)O 62a_200015260668_100009813601 [2,0,0,0,0,0|1,0,1]=4 599 B12R1.286 C=C=Cc1ccc(c(c1)CC)O 271570a_100015277604_100012338938 [2,0,0,0,0,0|1,0,1]=4 600 B12R1.286 C=C=Cc1ccc(c(c1)OC)Br 271570a_100015277604_100012353699 [2,0,0,0,0,0|1,0,1]=4 601 B12R1.286 C=C=Cc1ccc(c(c1)OC)C 271570a_100015277604_100011830276 [2,0,0,0,0,0|1,0,1]=4 602 B12R1.286 C=C=Cc1ccc(c(c1)OC)Cl 271570a_100015277604_100011356853 [2,0,0,0,0,0|1,0,1]=4 603 B12R1.286 C=C=Cc1ccc(c(c1)OC)F 271570a_100015277604_100011934186 [2,0,0,0,0,0|1,0,1]=4 604 B12R1.286 C=C=Cc1ccc(c(c1)OC)N 271570a_100015277604_100011279103 [2,0,0,0,0,0|1,0,1]=4 605 B12R1.286 C=C=Cc1ccc(c(c1)OC)O 271570a_100015277604_100000694246 [2,0,0,0,0,0|0,0,1]=3 606 B12R1.286 C=C=Cc1ccc(c(n1)OC)O 271570a_100015277604_100010893133 [2,0,0,0,0,0|1,0,1]=4 607 B12R1.286 CC=Cc1ccc(c(c1)CC)O 271570a_100016259895_100012338938 [2,0,0,0,0,0|1,0,1]=4 608 B12R1.286 CC=Cc1ccc(c(c1)OC)Br 271570a_100016259895_100012353699 [2,0,0,0,0,0|1,0,1]=4 609 B12R1.286 CC=Cc1ccc(c(c1)OC)C 271570a_100016259895_100011830276 [2,0,0,0,0,0|1,0,1]=4 610 B12R1.286 CC=Cc1ccc(c(c1)OC)Cl 271570a_100016259895_100011356853 [2,0,0,0,0,0|1,0,1]=4 611 B12R1.286 CC=Cc1ccc(c(c1)OC)F 271570a_100016259895_100011934186 [2,0,0,0,0,0|1,0,1]=4 612 B12R1.286 CC=Cc1ccc(c(c1)OC)N 271570a_100016259895_100011279103 [2,0,0,0,0,0|1,0,1]=4 613 B12R1.286 CC=Cc1ccc(c(c1)OC)O 271570a_100016259895_100000694246 [2,0,0,0,0,0|0,0,1]=3 614 B12R1.286 CC=Cc1ccc(c(n1)OC)O 271570a_100016259895_100010893133 [2,0,0,0,0,0|1,0,1]=4 615 B12R1.382 COc1cccc(c1)NCC=O 34a_100000210024_200009817547 [2,0,0,0,0,0|1,0,1]=4 616 B12R1.382 COc1cccc(c1)OCC=O 34a_100000211255_200009817547 [2,0,0,0,0,0|1,0,1]=4 617 B12R1.382 COc1cccc(c1)OCC=O 7a_100000211255_200015260668 [2,0,0,0,0,0|1,0,1]=4 618 B12R1.382 COc1cccc(c1)SCC=O 62a_200015260668_100000170001 [2,0,0,0,0,0|1,0,1]=4 619 B14R1.684 CC(C)(O)C=Cc1ccc(c(c1)O)O 271570a_200016258132_100009813601 [1,1,0,0,0,0|1,0,1]=4 620 B14R1.684 Cc1cc(ccc1O)C=CC(C)(C)O 271570a_200016258132_100000186361 [1,1,0,0,0,0|1,0,1]=4 621 B14R1.685 CC(=O)CC(=O)c1ccc(c(c1)O)O 1458a_100000070787_100000183813 [1,1,0,0,0,0|1,0,1]=4 622 B14R1.685 Cc1cc(ccc1O)C(=O)CC(=O)N 1458a_100000685612_100000187820 [1,1,0,0,0,0|1,0,1]=4 623 B14R1.685 Cc1cc(ccc1O)C(=O)CC(=O)[O-] 1458a_100000685612_100020667443 [1,1,0,0,0,0|0,0,2]=4 624 B14R1.685 NC(=O)CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000187820 [1,1,0,0,0,0|1,0,1]=4 625 B14R1.685 O=C([O-])CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100020667443 [1,1,0,0,0,0|0,0,2]=4 626 B14R1.686 Cc1cc(ccc1O)NC(=O)C(=O)N 22a_100011218179_100011215815 [1,1,0,0,0,0|2,0,0]=4 627 B14R1.686 NC(=O)C(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100011215815 [1,1,0,0,0,0|2,0,0]=4 628 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)Br)O 1458a_200103079279_100000210202 [1,1,0,0,0,0|2,0,0]=4 629 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)C)C 1458a_100011338269_100000210202 [1,1,0,0,0,0|2,0,0]=4 630 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)C)C 6a_100000229942_100000211110 [1,1,0,0,0,0|2,0,0]=4 631 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)C)Cl 6a_100000698814_100000211110 [1,1,0,0,0,0|2,0,0]=4 632 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)C)F 1458a_100016261966_100000210202 [1,1,0,0,0,0|2,0,0]=4 633 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)C)F 6a_100000748208_100000211110 [1,1,0,0,0,0|2,0,0]=4 634 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)Cl)O 1458a_200103117615_100000210202 [1,1,0,0,0,0|2,0,0]=4 635 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)Cl)O 6a_100000186751_100000211110 [1,1,0,0,0,0|2,0,0]=4 636 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)F)O 6a_100000742332_100000211110 [1,1,0,0,0,0|2,0,0]=4 637 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)I)O 6a_100000186752_100000211110 [1,1,0,0,0,0|2,0,0]=4 638 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)O)Cl 6a_100009876013_100000211110 [1,1,0,0,0,0|2,0,0]=4 639 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)O)F 6a_100000102368_100000211110 [1,1,0,0,0,0|2,0,0]=4 640 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)O)I 6a_100000041418_100000211110 [1,1,0,0,0,0|2,0,0]=4 641 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)Br)O 240690a_100102657272_200103079279 [1,1,0,0,0,0|2,0,0]=4 642 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)C)C 11a_106832991635_100011338269 [1,1,0,0,0,0|2,0,0]=4 643 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)C)C 1626a_100102657272_100011338269 [1,1,0,0,0,0|2,0,0]=4 644 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)C)C 240690a_100102657272_100011338269 [1,1,0,0,0,0|2,0,0]=4 645 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)C)F 11a_106832991635_100016261966 [1,1,0,0,0,0|2,0,0]=4 646 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)C)F 1626a_100102657272_100016261966 [1,1,0,0,0,0|2,0,0]=4 647 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)C)F 240690a_100102657272_100016261966 [1,1,0,0,0,0|2,0,0]=4 648 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)Cl)O 240690a_100102657272_200103117615 [1,1,0,0,0,0|2,0,0]=4 649 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)O)O 240690a_100102657272_100011195073 [1,1,0,0,0,0|1,0,0]=3 650 B14R1.833 COC(=O)CNc1ccc(c(c1)C)O 34a_100011218179_100000747449 [1,1,0,0,0,0|1,0,1]=4 651 B14R1.833 COC(=O)CNc1ccc(c(c1)C)O 7a_100011218179_100000747449 [1,1,0,0,0,0|1,0,1]=4 652 B14R1.833 COC(=O)CNc1ccc(c(c1)O)O 34a_100102946323_100000747449 [1,1,0,0,0,0|1,0,1]=4 653 B14R1.833 COC(=O)CSc1ccc(c(c1)C)O 62a_100000747449_100000186361 [1,1,0,0,0,0|1,0,1]=4 654 B14R1.833 COC(=O)CSc1ccc(c(c1)O)O 62a_100000747449_100009813601 [1,1,0,0,0,0|1,0,1]=4 655 B14R1.833 Cc1cc(ccc1Cl)C=CC(=O)CBr 6a_100000698814_100009888967 [1,1,0,0,0,0|2,0,0]=4 656 B14R1.833 Cc1cc(ccc1Cl)C=CC(=O)CCl 6a_100000698814_100000086384 [1,1,0,0,0,0|2,0,0]=4 657 B14R1.833 Cc1cc(ccc1Cl)C=CC(=O)CF 6a_100000698814_100000764096 [1,1,0,0,0,0|2,0,0]=4 658 B14R1.833 Cc1cc(ccc1F)C=CC(=O)CBr 6a_100000748208_100009888967 [1,1,0,0,0,0|2,0,0]=4 659 B14R1.833 Cc1cc(ccc1F)C=CC(=O)CCl 6a_100000748208_100000086384 [1,1,0,0,0,0|2,0,0]=4 660 B14R1.833 Cc1cc(ccc1F)C=CC(=O)CF 1458a_100016261966_100015361967 [1,1,0,0,0,0|2,0,0]=4 661 B14R1.833 Cc1cc(ccc1F)C=CC(=O)CF 6a_100000748208_100000764096 [1,1,0,0,0,0|2,0,0]=4 662 B14R1.833 Cc1ccc(cc1C)C=CC(=O)CBr 6a_100000229942_100009888967 [1,1,0,0,0,0|2,0,0]=4 663 B14R1.833 Cc1ccc(cc1C)C=CC(=O)CCl 6a_100000229942_100000086384 [1,1,0,0,0,0|2,0,0]=4 664 B14R1.833 Cc1ccc(cc1C)C=CC(=O)CF 1458a_100011338269_100015361967 [1,1,0,0,0,0|2,0,0]=4 665 B14R1.833 Cc1ccc(cc1C)C=CC(=O)CF 6a_100000229942_100000764096 [1,1,0,0,0,0|2,0,0]=4 666 B14R1.833 O=C(C=Cc1ccc(c(c1)Br)O)CF 1458a_200103079279_100015361967 [1,1,0,0,0,0|2,0,0]=4 667 B14R1.833 O=C(C=Cc1ccc(c(c1)Cl)O)CBr 6a_100000186751_100009888967 [1,1,0,0,0,0|2,0,0]=4 668 B14R1.833 O=C(C=Cc1ccc(c(c1)Cl)O)CCl 6a_100000186751_100000086384 [1,1,0,0,0,0|2,0,0]=4 669 B14R1.833 O=C(C=Cc1ccc(c(c1)Cl)O)CF 1458a_200103117615_100015361967 [1,1,0,0,0,0|2,0,0]=4 670 B14R1.833 O=C(C=Cc1ccc(c(c1)Cl)O)CF 6a_100000186751_100000764096 [1,1,0,0,0,0|2,0,0]=4 671 B14R1.833 O=C(C=Cc1ccc(c(c1)F)O)CBr 6a_100000742332_100009888967 [1,1,0,0,0,0|2,0,0]=4 672 B14R1.833 O=C(C=Cc1ccc(c(c1)F)O)CCl 6a_100000742332_100000086384 [1,1,0,0,0,0|2,0,0]=4 673 B14R1.833 O=C(C=Cc1ccc(c(c1)F)O)CF 6a_100000742332_100000764096 [1,1,0,0,0,0|2,0,0]=4 674 B14R1.833 O=C(C=Cc1ccc(c(c1)I)O)CBr 6a_100000186752_100009888967 [1,1,0,0,0,0|2,0,0]=4 675 B14R1.833 O=C(C=Cc1ccc(c(c1)I)O)CCl 6a_100000186752_100000086384 [1,1,0,0,0,0|2,0,0]=4 676 B14R1.833 O=C(C=Cc1ccc(c(c1)I)O)CF 6a_100000186752_100000764096 [1,1,0,0,0,0|2,0,0]=4 677 B14R1.833 O=C(C=Cc1ccc(c(c1)O)Cl)CBr 6a_100009876013_100009888967 [1,1,0,0,0,0|2,0,0]=4 678 B14R1.833 O=C(C=Cc1ccc(c(c1)O)Cl)CCl 6a_100009876013_100000086384 [1,1,0,0,0,0|2,0,0]=4 679 B14R1.833 O=C(C=Cc1ccc(c(c1)O)Cl)CF 6a_100009876013_100000764096 [1,1,0,0,0,0|2,0,0]=4 680 B14R1.833 O=C(C=Cc1ccc(c(c1)O)F)CBr 6a_100000102368_100009888967 [1,1,0,0,0,0|2,0,0]=4 681 B14R1.833 O=C(C=Cc1ccc(c(c1)O)F)CCl 6a_100000102368_100000086384 [1,1,0,0,0,0|2,0,0]=4 682 B14R1.833 O=C(C=Cc1ccc(c(c1)O)F)CF 6a_100000102368_100000764096 [1,1,0,0,0,0|2,0,0]=4 683 B14R1.833 O=C(C=Cc1ccc(c(c1)O)I)CBr 6a_100000041418_100009888967 [1,1,0,0,0,0|2,0,0]=4 684 B14R1.833 O=C(C=Cc1ccc(c(c1)O)I)CCl 6a_100000041418_100000086384 [1,1,0,0,0,0|2,0,0]=4 685 B14R1.833 O=C(C=Cc1ccc(c(c1)O)I)CF 6a_100000041418_100000764096 [1,1,0,0,0,0|2,0,0]=4 686 B14R1.833 O=C(CO)CCc1ccc(c(c1)O)O 1458a_100000210174_200010393615 [1,1,0,0,0,0|0,0,2]=4 687 B14R1.833 O=C(CO)NCc1ccc(c(c1)O)O 240690a_100000010075_100000210174 [1,1,0,0,0,0|1,0,1]=4 688 B14R1.3653 CC(O)C=Cc1ccc(c(c1)O)CO 271570a_200011019289_100000071718 [1,1,0,0,0,0|1,0,1]=4 689 B14R1.3653 COc1ccc(cc1Br)C=CC(=O)C 1458a_200000186738_200000210301 [1,1,0,0,0,0|2,0,0]=4 690 B14R1.3653 COc1ccc(cc1Br)C=CC(=O)[13CH3] 1458a_200000186738_200025704644 [1,1,0,0,0,0|2,0,0]=4 691 B14R1.3653 COc1ccc(cc1C)C=CC(=O)C 1458a_100116352456_200000210301 [1,1,0,0,0,0|1,0,0]=3 692 B14R1.3653 COc1ccc(cc1C)C=CC(=O)[13CH3] 1458a_100116352456_200025704644 [1,1,0,0,0,0|1,0,0]=3 693 B14R1.3653 COc1ccc(cc1C)C=CC(C)O 271570a_200011019289_100011219705 [1,1,0,0,0,0|1,0,1]=4 694 B14R1.3653 COc1ccc(cc1Cl)C=CC(=O)C 1458a_100000735007_200000210301 [1,1,0,0,0,0|2,0,0]=4 695 B14R1.3653 COc1ccc(cc1Cl)C=CC(=O)[13CH3] 1458a_100000735007_200025704644 [1,1,0,0,0,0|2,0,0]=4 696 B14R1.3653 COc1ccc(cc1F)C=CC(=O)C 1458a_100102526129_200000210301 [1,1,0,0,0,0|2,0,0]=4 697 B14R1.3653 COc1ccc(cc1F)C=CC(=O)[13CH3] 1458a_100102526129_200025704644 [1,1,0,0,0,0|2,0,0]=4 698 B14R1.3653 COc1ccc(cc1O)/C=C/C(=O)C 271570a_203496583355_200016254069 [1,1,0,0,0,0|1,0,0]=3 699 B14R1.3653 COc1ccc(cc1O)C=CC(=O)C 1458a_100000184920_200000210301 [1,1,0,0,0,0|1,0,0]=3 700 B14R1.3653 COc1ccc(cc1O)C=CC(=O)[13CH3] 1458a_100000184920_200025704644 [1,1,0,0,0,0|1,0,0]=3 701 B14R1.3653 COc1ccc(cc1O)C=CC(C)O 271570a_200011019289_100009816560 [1,1,0,0,0,0|1,0,1]=4 702 B14R1.3653 Cc1cc(ccc1CO)C=CC(C)O 271570a_200011019289_100000748258 [1,1,0,0,0,0|1,0,1]=4 703 B14R1.6036 CC(=O)C=Cc1cc(c(cc1C)C)C 1458a_100000739386_200000210301 [1,1,0,0,0,0|2,0,0]=4 704 B14R1.6036 Cc1cc(c(cc1C)C=CC(=O)[13CH3])C 1458a_100000739386_200025704644 [1,1,0,0,0,0|2,0,0]=4 705 B14R1.6036 Cc1cc(c(cc1O)C)C=CC(C)O 271570a_200011019289_100000698207 [1,1,0,0,0,0|1,0,1]=4 706 B14R1.6059 Cc1c(ccc(c1C)C=CC(C)O)O 271570a_200011019289_100012353674 [1,1,0,0,0,0|1,0,1]=4 707 B14R1.6059 Cc1c(ccc(c1F)C=CC(C)O)O 271570a_200011019289_100010390934 [1,1,0,0,0,0|1,0,1]=4 708 B14R1.15552 Cc1cc(cc(c1O)Br)C=CC(C)O 271570a_200011019289_100010982682 [1,1,0,0,0,0|1,0,1]=4 709 B14R1.15552 Cc1cc(cc(c1O)C)C=CC(C)O 271570a_200011019289_100000187306 [1,1,0,0,0,0|1,0,1]=4 710 B14R1.15552 Cc1cc(cc(c1O)Cl)C=CC(C)O 271570a_200011019289_200015900153 [1,1,0,0,0,0|1,0,1]=4 711 B14R1.15552 Cc1cc(cc(c1O)N)C=CC(C)O 271570a_200011019289_100011825904 [1,1,0,0,0,0|1,0,1]=4 712 B14R1.626 C=CCC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000210623 [1,1,0,0,0,0|1,0,1]=4 713 B14R1.626 COc1cc(ccc1O)C(=O)CCO 1458a_100000687070_100000211926 [1,1,0,0,0,0|0,0,2]=4 714 B14R1.793 COc1cc(ccc1CO)NCC=O 34a_100012183141_200009817547 [1,1,0,0,0,0|1,0,1]=4 715 B14R1.793 COc1cc(ccc1CO)OCC=O 34a_200000116926_200009817547 [1,1,0,0,0,0|1,0,1]=4 716 B14R1.793 COc1cc(ccc1CO)SCC=O 62a_100011277633_200015260668 [1,1,0,0,0,0|1,0,1]=4 717 B14R1.793 COc1cc(ccc1CO)SCC=O 62a_200015260668_100011277633 [1,1,0,0,0,0|1,0,1]=4 718 B14R1.793 COc1cc(ccc1O[13CH3])/C=C\CO 34a_100016294963_200025704644 [1,1,0,0,0,0|0,0,1]=3 719 B14R1.793 COc1ccc(cc1OC)/C=C/CO 34a_100102524974_200000210301 [1,1,0,0,0,0|0,0,1]=3 720 B14R1.793 COc1ccc(cc1OC)/C=C\CO 34a_100016294963_200000210301 [1,1,0,0,0,0|0,0,1]=3 721 B14R1.793 COc1ccc(cc1OC)NCC=O 34a_100000187404_200009817547 [1,1,0,0,0,0|1,0,1]=4 722 B14R1.793 COc1ccc(cc1OC)OCC=O 34a_100000039706_200009817547 [1,1,0,0,0,0|1,0,1]=4 723 B14R1.793 COc1ccc(cc1OC)SCC=O 62a_200015260668_100011356967 [1,1,0,0,0,0|1,0,1]=4 724 B14R1.793 COc1ccc(cc1O[13CH3])/C=C/CO 34a_100102524974_200025704644 [1,1,0,0,0,0|0,0,1]=3 725 B14R1.907 C/C=C/CNc1ccc(c(c1)OC)O 34a_100000726020_100102629194 [1,1,0,0,0,0|1,0,1]=4 726 B14R1.907 C/C=C/CSc1ccc(c(c1)OC)O 62a_100102629194_100000694246 [1,1,0,0,0,0|1,0,1]=4 727 B14R1.907 CC=CCNc1ccc(c(c1)OC)O 34a_100000726020_100000070051 [1,1,0,0,0,0|1,0,1]=4 728 B14R1.907 CC=CCSc1ccc(c(c1)OC)O 62a_100000070051_100000694246 [1,1,0,0,0,0|1,0,1]=4 729 B14R1.907 CCCC=Cc1ccc(c(c1)OC)O 271570a_100016258520_100000694246 [1,1,0,0,0,0|1,0,1]=4 730 B14R1.907 CCOC=Cc1ccc(c(c1)OC)O 271570a_100016256518_100000694246 [1,1,0,0,0,0|1,0,1]=4 731 B14R1.907 CCc1cc(ccc1O)C=CCOC 271570a_100016286323_100012338938 [1,1,0,0,0,0|1,0,1]=4 732 B14R1.907 COCC=Cc1ccc(c(c1)OC)Br 271570a_100016286323_100012353699 [1,1,0,0,0,0|1,0,1]=4 733 B14R1.907 COCC=Cc1ccc(c(c1)OC)C 271570a_100016286323_100011830276 [1,1,0,0,0,0|1,0,1]=4 734 B14R1.907 COCC=Cc1ccc(c(c1)OC)Cl 271570a_100016286323_100011356853 [1,1,0,0,0,0|1,0,1]=4 735 B14R1.907 COCC=Cc1ccc(c(c1)OC)F 271570a_100016286323_100011934186 [1,1,0,0,0,0|1,0,1]=4 736 B14R1.907 COCC=Cc1ccc(c(c1)OC)N 271570a_100016286323_100011279103 [1,1,0,0,0,0|1,0,1]=4 737 B14R1.907 COCC=Cc1ccc(c(c1)OC)O 271570a_100016286323_100000694246 [1,1,0,0,0,0|0,0,1]=3 738 B14R1.907 COCC=Cc1ccc(c(n1)OC)O 271570a_100016286323_100010893133 [1,1,0,0,0,0|1,0,1]=4 739 B14R1.907 COc1cc(ccc1O)CNCC=O 34a_100000185554_200009817547 [1,1,0,0,0,0|0,0,2]=4 740 B14R1.3405 C=CC(=O)Nc1ccc(c(c1)OC)O 22a_100000726020_100000185746 [1,1,0,0,0,0|2,0,0]=4 741 B14R1.3405 COc1cc(ccc1O)NC(=O)CO 22a_100000726020_100000210174 [1,1,0,0,0,0|1,0,1]=4 742 B14R1.3405 COc1cc(ccc1O)NC(=O)CO 527a_100000726020_100000210174 [1,1,0,0,0,0|1,0,1]=4 743 B14R1.4435 COc1cc(c(cc1O)F)SCC=O 62a_200015260668_100010189133 [1,1,0,0,0,0|1,0,1]=4 744 B14R1.7499 COc1cc(cc(c1O)O)SCC=O 62a_200015260668_200159242197 [1,1,0,0,0,0|1,0,1]=4 745 B14R1.74 COc1cccc(c1)C(=O)CC(=O)C 1458a_100000070787_100000211451 [1,1,0,0,0,0|1,0,1]=4 746 B14R1.74 COc1cccc(c1)C(=O)CC(=O)N 1458a_100000188888_100000187820 [1,1,0,0,0,0|1,0,1]=4 747 B14R1.74 COc1cccc(c1)C(=O)CC(=O)[O-] 1458a_100000188888_100020667443 [1,1,0,0,0,0|0,0,2]=4 748 B14R1.75 COc1cccc(c1)NC(=O)C(=O)N 22a_100000210024_100011215815 [1,1,0,0,0,0|2,0,0]=4 749 B14R1.77 C=Cc1cccc(c1)/C=C/C(=O)OC 271570a_100011290941_100000149372 [1,1,0,0,0,0|1,0,1]=4 750 B14R1.77 COC(=O)/C=C/c1cccc(c1)OC 34a_200102525237_200000210301 [1,1,0,0,0,0|0,0,0]=2 751 B14R1.77 COC(=O)/C=C/c1cccc(c1)OC 7a_200102525237_200000210301 [1,1,0,0,0,0|0,0,0]=2 752 B14R1.77 COC(=O)/C=C/c1cccc(c1)O[13CH3] 34a_200102525237_200025704644 [1,1,0,0,0,0|0,0,0]=2 753 B14R1.77 COC(=O)/C=C/c1cccc(c1)O[13CH3] 7a_200102525237_200025704644 [1,1,0,0,0,0|0,0,0]=2 754 B14R1.77 COC(=O)/C=C/c1cccc(c1)SC 62a_100000149372_200000210301 [1,1,0,0,0,0|0,1,0]=3 755 B14R1.77 COC(=O)/C=C/c1cccc(c1)SC 62a_200000210301_100000149372 [1,1,0,0,0,0|0,1,0]=3 756 B14R1.77 COC(=O)/C=C/c1cccc(c1)S[13CH3] 62a_100000149372_200025704644 [1,1,0,0,0,0|0,1,0]=3 757 B14R1.77 COC(=O)/C=C/c1cccc(c1)S[13CH3] 62a_200025704644_100000149372 [1,1,0,0,0,0|0,1,0]=3 758 B14R1.77 COC(=O)CCc1cccc(c1)OC 34a_100000067588_200000210301 [1,1,0,0,0,0|0,0,2]=4 759 B14R1.77 COC(=O)CCc1cccc(c1)OC 7a_100000067588_200000210301 [1,1,0,0,0,0|0,0,2]=4 760 B14R1.77 COC(=O)CCc1cccc(c1)O[13CH3] 34a_100000067588_200025704644 [1,1,0,0,0,0|0,0,2]=4 761 B14R1.77 COC(=O)CCc1cccc(c1)O[13CH3] 7a_100000067588_200025704644 [1,1,0,0,0,0|0,0,2]=4 762 B14R1.77 COC(=O)CNc1cccc(c1)OC 34a_100000210024_100000747449 [1,1,0,0,0,0|1,0,1]=4 763 B14R1.77 COC(=O)COc1cccc(c1)OC 34a_100000211255_100000747449 [1,1,0,0,0,0|1,0,1]=4 764 B14R1.77 COC(=O)COc1cccc(c1)OC 7a_100000211255_100000747449 [1,1,0,0,0,0|1,0,1]=4 765 B14R1.77 COC(=O)CSc1cccc(c1)OC 62a_100000747449_100000170001 [1,1,0,0,0,0|1,0,1]=4 766 B14R1.77 COc1cccc(c1)CCC(=O)CO 1458a_100000210174_100011713679 [1,1,0,0,0,0|0,0,2]=4 767 B14R1.77 COc1cccc(c1)CNC(=O)CO 240690a_100000174954_100000210174 [1,1,0,0,0,0|1,0,1]=4 768 B14R1.77 COc1cccc(c1)CNC(=O)CO 527a_100000174954_100000210174 [1,1,0,0,0,0|1,0,1]=4 769 B14R1.77 COc1cccc(c1)NNC(=O)CO 22a_100000722927_100000210174 [1,1,0,0,0,0|2,0,0]=4 770 B14R1.81 COc1cccc(c1C)C=CC(C)O 271570a_200011019289_100010002647 [1,1,0,0,0,0|1,0,1]=4 771 B14R1.81 COc1cccc(c1Cl)C=CC(C)O 271570a_200011019289_100010147677 [1,1,0,0,0,0|1,0,1]=4 772 B14R1.81 COc1cccc(c1F)C=CC(C)O 271570a_200011019289_100010185846 [1,1,0,0,0,0|1,0,1]=4 773 B14R1.81 COc1cccc(c1N)C=CC(C)O 271570a_200011019289_100000708083 [1,1,0,0,0,0|1,0,1]=4 774 B14R1.81 COc1cccc(c1O)C=CC(C)O 271570a_200011019289_100000686866 [1,1,0,0,0,0|1,0,1]=4 775 B14R1.376 COc1cc(cc(c1)C=CC(C)O)Br 271570a_200011019289_100010141301 [1,1,0,0,0,0|1,0,1]=4 776 B14R1.376 COc1cc(cc(c1)C=CC(C)O)C 271570a_200011019289_100010187550 [1,1,0,0,0,0|1,0,1]=4 777 B14R1.376 COc1cc(cc(c1)C=CC(C)O)Cl 271570a_200011019289_100010147680 [1,1,0,0,0,0|1,0,1]=4 778 B14R1.376 COc1cc(cc(c1)C=CC(C)O)F 271570a_200011019289_100011934182 [1,1,0,0,0,0|1,0,1]=4 779 B14R1.376 COc1cc(cc(c1)C=CC(C)O)N 271570a_200011019289_100000750983 [1,1,0,0,0,0|1,0,1]=4 780 B14R1.376 COc1cc(cc(c1)C=CC(C)O)O 271570a_200011019289_100010068927 [1,1,0,0,0,0|1,0,1]=4 781 B14R1.468 CC(=O)/C=C/c1cccc(c1)SCF 62a_100015361967_200016266566 [1,1,0,0,0,0|1,1,0]=4 782 B14R1.468 CC(=O)/C=C/c1cccc(c1)SCF 62a_200016266566_100015361967 [1,1,0,0,0,0|1,1,0]=4 783 B14R1.468 CC=Cc1cccc(c1)/C=C/C(=O)C 271570a_100016259895_200016266566 [1,1,0,0,0,0|2,0,0]=4 784 B14R1.468 CCOc1cccc(c1)C=CC(=O)C 1458a_100011214976_200000210301 [1,1,0,0,0,0|1,0,0]=3 785 B14R1.468 CCOc1cccc(c1)C=CC(=O)[13CH3] 1458a_100011214976_200025704644 [1,1,0,0,0,0|1,0,0]=3 786 B14R1.468 CCOc1cccc(c1)C=CC(C)O 271570a_200011019289_100000170002 [1,1,0,0,0,0|1,0,1]=4 787 B14R1.468 CCSc1cccc(c1)/C=C/C(=O)C 62a_100000210202_200016266566 [1,1,0,0,0,0|1,1,0]=4 788 B14R1.468 CCSc1cccc(c1)/C=C/C(=O)C 62a_200016266566_100000210202 [1,1,0,0,0,0|1,1,0]=4 789 B14R1.468 COCc1cccc(c1)C=CC(C)O 271570a_200011019289_100011493687 [1,1,0,0,0,0|1,0,1]=4 790 B14R1.2162 COc1cccc(c1)C=CC(C)(C)O 271570a_200016258132_100000170001 [1,1,0,0,0,0|1,0,1]=4 791 B14R1.2335 COc1ccc(c(c1)C=CC(C)O)Br 271570a_200011019289_100009992028 [1,1,0,0,0,0|1,0,1]=4 792 B14R1.2335 COc1ccc(c(c1)C=CC(C)O)C 271570a_200011019289_100012349166 [1,1,0,0,0,0|1,0,1]=4 793 B14R1.2335 COc1ccc(c(c1)C=CC(C)O)Cl 271570a_200011019289_100011356938 [1,1,0,0,0,0|1,0,1]=4 794 B14R1.2335 COc1ccc(c(c1)C=CC(C)O)F 271570a_200011019289_100000699733 [1,1,0,0,0,0|1,0,1]=4 795 B14R1.2335 COc1ccc(c(c1)C=CC(C)O)N 271570a_200011019289_100015195136 [1,1,0,0,0,0|1,0,1]=4 796 B14R1.2335 COc1ccc(c(c1)C=CC(C)O)O 271570a_200011019289_100000685887 [1,1,0,0,0,0|1,0,1]=4 797 B14R1.6355 C=C(C)c1cccc(c1)/C=C/C(=O)C 271570a_100000694244_200016266566 [1,1,0,0,0,0|2,0,0]=4 798 B14R1.41 COc1cc(ccc1O)C(=C(C)C)C 271570a_200000049429_100000694246 [0,1,0,0,1,0|2,0,0]=4 799 B14R1.41 COc1cc(ccc1O)C(O)C(=O)C 1458a_100000036414_200000210301 [0,1,0,0,1,0|1,0,1]=4 800 B14R1.41 COc1cc(ccc1O)C(O)C(=O)[13CH3] 1458a_100000036414_200025704644 [0,1,0,0,1,0|1,0,1]=4 801 B14R1.343 COc1cc(cc(c1O)Br)CC(=O)C 1458a_100009814412_200000210301 [0,1,0,0,1,0|1,0,1]=4 802 B14R1.343 COc1cc(cc(c1O)Br)CC(=O)[13CH3] 1458a_100009814412_200025704644 [0,1,0,0,1,0|1,0,1]=4 803 B14R1.439 CCOc1cc(ccc1O)CC(=O)C 1458a_200000048972_200000210301 [0,1,0,0,1,0|1,0,1]=4 804 B14R1.439 CCOc1cc(ccc1O)CC(=O)[13CH3] 1458a_200000048972_200025704644 [0,1,0,0,1,0|1,0,1]=4 805 B14R1.881 COc1cc(c(cc1O)Br)CC(=O)C 1458a_100009814189_200000210301 [0,1,0,0,1,0|1,0,1]=4 806 B14R1.881 COc1cc(c(cc1O)Br)CC(=O)[13CH3] 1458a_100009814189_200025704644 [0,1,0,0,1,0|1,0,1]=4 807 B14R1.881 COc1cc(c(cc1O)F)C=C(C)C 271570a_100102525489_100010189133 [0,1,0,0,1,0|2,0,0]=4 808 B14R1.3651 COc1cc(ccc1CO)C=C(C)C 271570a_100102525489_100011277633 [0,1,0,0,1,0|2,0,0]=4 809 B14R1.3651 COc1cc(ccc1CO)NC(=O)C 22a_100012183141_100000070787 [0,1,0,0,1,0|2,0,0]=4 810 B14R1.3651 COc1cc(ccc1O[13CH3])CC(=O)C 34a_200000039568_200025704644 [0,1,0,0,1,0|1,0,1]=4 811 B14R1.3651 COc1ccc(cc1OC)C=C(C)C 271570a_100102525489_100000187503 [0,1,0,0,1,0|2,0,0]=4 812 B14R1.3651 COc1ccc(cc1OC)CC(=O)C 1458a_100000184093_200000210301 [0,1,0,0,1,0|1,0,1]=4 813 B14R1.3651 COc1ccc(cc1OC)CC(=O)C 34a_200000039568_200000210301 [0,1,0,0,1,0|1,0,1]=4 814 B14R1.3651 COc1ccc(cc1OC)CC(=O)[13CH3] 1458a_100000184093_200025704644 [0,1,0,0,1,0|1,0,1]=4 815 B14R1.3651 COc1ccc(cc1OC)NC(=O)C 11a_100000187404_100015343762 [0,1,0,0,1,0|2,0,0]=4 816 B14R1.3651 COc1ccc(cc1OC)NC(=O)C 1626a_100000187404_100015343762 [0,1,0,0,1,0|2,0,0]=4 817 B14R1.3651 COc1ccc(cc1OC)NC(=O)C 22a_100000187404_100000070787 [0,1,0,0,1,0|2,0,0]=4 818 B14R1.3651 COc1ccc(cc1OC)NC(=O)C 527a_100000187404_100103153847 [0,1,0,0,1,0|2,0,0]=4 819 B16R1.406 COc1cc(cc(c1O)Br)C=NNC(=O)C 4a_100000189765_100000186746 [0,1,0,0,0,1|2,0,0]=4 820 B16R1.406 COc1cc(cc(c1O)C)C=NNC(=O)C 4a_100000189765_100000050991 [0,1,0,0,0,1|2,0,0]=4 821 B16R1.406 COc1cc(cc(c1O)Cl)C=NNC(=O)C 4a_100000189765_100000010622 [0,1,0,0,0,1|2,0,0]=4 822 B16R1.406 COc1cc(cc(c1O)F)C=NNC(=O)C 4a_100000189765_100000039941 [0,1,0,0,0,1|2,0,0]=4 823 B16R1.406 COc1cc(cc(c1O)I)C=NNC(=O)C 4a_100000189765_100000184534 [0,1,0,0,0,1|2,0,0]=4 824 B16R1.406 COc1cc(cc(c1O)O)C=NNC(=O)C 4a_100000189765_100000010769 [0,1,0,0,0,1|2,0,0]=4 825 B16R1.4275 COc1ccc(cc1OC)C=NNC(=O)C 4a_100000189765_100000170513 [0,1,0,0,0,1|2,0,0]=4 826 B16R1.4275 COc1ccc(cc1OC)CNCC(=O)O 269956a_100016091260_100011233839 [0,1,0,0,0,1|0,0,2]=4 827 B16R1.4708 CCC(=O)NN=Cc1ccc(c(c1)OC)O 4a_100000183195_100000188322 [0,1,0,0,0,1|2,0,0]=4 828 B16R1.4708 COC(=O)C=NNc1ccc(c(c1)OC)F 4a_102515433066_200011823558 [0,1,0,0,0,1|2,0,0]=4 829 B16R1.4708 COC(=O)CCNc1ccc(c(c1)OC)O 34a_100000726020_100000742370 [0,1,0,0,0,1|0,0,2]=4 830 B16R1.4708 COC(=O)CCSc1ccc(c(c1)OC)O 62a_100000204255_100000694246 [0,1,0,0,0,1|0,0,2]=4 831 B16R1.4708 COC(=O)CNCc1ccc(c(c1)OC)O 34a_100000185554_100000747449 [0,1,0,0,0,1|0,0,2]=4 832 B16R1.4708 COc1cc(ccc1O)CCNC(=O)CO 240690a_100000756042_100000210174 [0,1,0,0,0,1|0,0,2]=4 833 B16R1.4708 COc1cc(ccc1O)CCNC(=O)CO 527a_100000756042_100000210174 [0,1,0,0,0,1|0,0,2]=4 834 B16R1.4709 COc1cc(ccc1O)C(=NNC(=O)C)C 4a_100000189765_100000186468 [0,1,0,0,0,1|2,0,0]=4 835 B16R1.4709 COc1cc(ccc1O)C(=O)CC=C(C)C 1458a_100000687070_100000761012 [0,1,0,0,0,1|2,0,0]=4 836 B16R1.4709 COc1cc(ccc1O)C(=O)NCC(=O)N 240690a_100000711301_100000687070 [0,1,0,0,0,1|1,0,1]=4 837 B16R1.4709 COc1cc(ccc1O)C(=O)NNC(=O)C 22a_100000189765_100000687070 [0,1,0,0,0,1|2,0,0]=4 838 B16R1.4710 COc1cc(ccc1O)CNC(=O)C(=O)N 240690a_100000185554_100011215815 [0,1,0,0,0,1|1,0,1]=4 839 B16R1.4710 COc1cc(ccc1O)NCC(=O)C(=O)C 34a_100000726020_100011261029 [0,1,0,0,0,1|1,0,1]=4 840 B16R1.4710 COc1cc(ccc1O)SCC(=O)C(=O)C 62a_100011261029_100000694246 [0,1,0,0,0,1|1,0,1]=4 841 B16R1.4761 COc1cc(ccc1O)CC(=O)CC(=O)N 1458a_100000032101_100000187820 [0,1,0,0,0,1|1,0,1]=4 842 B16R1.4761 COc1cc(ccc1O)CC(=O)CC(=O)[O-] 1458a_100000032101_100020667443 [0,1,0,0,0,1|0,0,2]=4 843 B16R1.4761 COc1cc(ccc1O)NC(=O)C=C(C)C 22a_100000726020_100000211388 [0,1,0,0,0,1|2,0,0]=4 844 B16R1.4761 COc1cc(ccc1O)NC(=O)C=C(C)Cl 22a_100000726020_200042562850 [0,1,0,0,0,1|2,0,0]=4 845 B16R1.4761 COc1cc(ccc1O)NC(=O)CC(=O)N 22a_100000726020_100134613110 [0,1,0,0,0,1|1,0,1]=4 846 B16R1.4761 COc1cc(ccc1O)NC(=O)CC(=O)N 527a_100000726020_100134613110 [0,1,0,0,0,1|1,0,1]=4 847 B16R1.12733 CCOc1cc(ccc1O)C=NNC(=O)C 4a_100000189765_100000188318 [0,1,0,0,0,1|2,0,0]=4 848 B16R1.20029 COc1cc(c(cc1O)Br)C=NNC(=O)C 4a_100000189765_100000741691 [0,1,0,0,0,1|2,0,0]=4 849 B16R1.33579 COc1c(ccc(c1O)C=NNC(=O)C)O 4a_100000189765_100009834984 [0,1,0,0,0,1|2,0,0]=4 850 B16R1.404 COc1cc(cc(c1O)Cl)C(=O)CC(=O)N 1458a_100000209947_100000187820 [0,2,0,0,0,0|1,0,1]=4 851 B16R1.404 COc1cc(cc(c1O)Cl)C(=O)CC(=O)[O-] 1458a_100000209947_100020667443 [0,2,0,0,0,0|0,0,2]=4 852 B16R1.404 COc1cc(cc(c1O)O)C(=O)CC(=O)N 1458a_100000061230_100000187820 [0,2,0,0,0,0|1,0,1]=4 853 B16R1.404 COc1cc(cc(c1O)O)C(=O)CC(=O)[O-] 1458a_100000061230_100020667443 [0,2,0,0,0,0|0,0,2]=4 854 B16R1.407 CCC(=O)C=Cc1cc(c(c(c1)OC)F)F 6a_100000050682_100000211110 [0,2,0,0,0,0|2,0,0]=4 855 B16R1.407 CCC(=O)C=Cc1cc(c(c(c1)OC)O)Br 1458a_100015195021_100000210202 [0,2,0,0,0,0|1,0,0]=3 856 B16R1.407 CCC(=O)C=Cc1cc(c(c(c1)OC)O)Br 6a_100000186746_100000211110 [0,2,0,0,0,0|1,0,0]=3 857 B16R1.407 CCC(=O)C=Cc1cc(c(c(c1)OC)O)C 6a_100000050991_100000211110 [0,2,0,0,0,0|1,0,0]=3 858 B16R1.407 CCC(=O)C=Cc1cc(c(c(c1)OC)O)Cl 6a_100000010622_100000211110 [0,2,0,0,0,0|1,0,0]=3 859 B16R1.407 CCC(=O)C=Cc1cc(c(c(c1)OC)O)F 6a_100000039941_100000211110 [0,2,0,0,0,0|1,0,0]=3 860 B16R1.407 CCC(=O)C=Cc1cc(c(c(c1)OC)O)I 1458a_200021160827_100000210202 [0,2,0,0,0,0|1,0,0]=3 861 B16R1.407 CCC(=O)C=Cc1cc(c(c(c1)OC)O)I 6a_100000184534_100000211110 [0,2,0,0,0,0|1,0,0]=3 862 B16R1.407 CNC(=O)C=Cc1cc(c(c(c1)OC)O)Br 240690a_100102657272_100015195021 [0,2,0,0,0,0|1,0,0]=3 863 B16R1.407 CNC(=O)C=Cc1cc(c(c(c1)OC)O)I 240690a_100102657272_200021160827 [0,2,0,0,0,0|1,0,0]=3 864 B16R1.407 COC(=O)CSc1cc(c(c(c1)OC)O)O 62a_100000747449_200159242197 [0,2,0,0,0,0|1,0,1]=4 865 B16R1.407 COc1cc(cc(c1F)F)C=CC(=O)CBr 6a_100000050682_100009888967 [0,2,0,0,0,0|2,0,0]=4 866 B16R1.407 COc1cc(cc(c1F)F)C=CC(=O)CCl 6a_100000050682_100000086384 [0,2,0,0,0,0|2,0,0]=4 867 B16R1.407 COc1cc(cc(c1F)F)C=CC(=O)CF 6a_100000050682_100000764096 [0,2,0,0,0,0|2,0,0]=4 868 B16R1.407 COc1cc(cc(c1O)Br)C=CC(=O)CBr 6a_100000186746_100009888967 [0,2,0,0,0,0|1,0,0]=3 869 B16R1.407 COc1cc(cc(c1O)Br)C=CC(=O)CCl 6a_100000186746_100000086384 [0,2,0,0,0,0|1,0,0]=3 870 B16R1.407 COc1cc(cc(c1O)Br)C=CC(=O)CF 1458a_100015195021_100015361967 [0,2,0,0,0,0|1,0,0]=3 871 B16R1.407 COc1cc(cc(c1O)Br)C=CC(=O)CF 6a_100000186746_100000764096 [0,2,0,0,0,0|1,0,0]=3 872 B16R1.407 COc1cc(cc(c1O)C)C=CC(=O)CBr 6a_100000050991_100009888967 [0,2,0,0,0,0|1,0,0]=3 873 B16R1.407 COc1cc(cc(c1O)C)C=CC(=O)CCl 6a_100000050991_100000086384 [0,2,0,0,0,0|1,0,0]=3 874 B16R1.407 COc1cc(cc(c1O)C)C=CC(=O)CF 6a_100000050991_100000764096 [0,2,0,0,0,0|1,0,0]=3 875 B16R1.407 COc1cc(cc(c1O)Cl)C=CC(=O)CBr 6a_100000010622_100009888967 [0,2,0,0,0,0|1,0,0]=3 876 B16R1.407 COc1cc(cc(c1O)Cl)C=CC(=O)CCl 6a_100000010622_100000086384 [0,2,0,0,0,0|1,0,0]=3 877 B16R1.407 COc1cc(cc(c1O)Cl)C=CC(=O)CF 6a_100000010622_100000764096 [0,2,0,0,0,0|1,0,0]=3 878 B16R1.407 COc1cc(cc(c1O)F)C=CC(=O)CBr 6a_100000039941_100009888967 [0,2,0,0,0,0|1,0,0]=3 879 B16R1.407 COc1cc(cc(c1O)F)C=CC(=O)CCl 6a_100000039941_100000086384 [0,2,0,0,0,0|1,0,0]=3 880 B16R1.407 COc1cc(cc(c1O)F)C=CC(=O)CF 6a_100000039941_100000764096 [0,2,0,0,0,0|1,0,0]=3 881 B16R1.407 COc1cc(cc(c1O)I)C=CC(=O)CBr 6a_100000184534_100009888967 [0,2,0,0,0,0|1,0,0]=3 882 B16R1.407 COc1cc(cc(c1O)I)C=CC(=O)CCl 6a_100000184534_100000086384 [0,2,0,0,0,0|1,0,0]=3 883 B16R1.407 COc1cc(cc(c1O)I)C=CC(=O)CF 1458a_200021160827_100015361967 [0,2,0,0,0,0|1,0,0]=3 884 B16R1.407 COc1cc(cc(c1O)I)C=CC(=O)CF 6a_100000184534_100000764096 [0,2,0,0,0,0|1,0,0]=3 885 B16R1.414 COc1cc(cc(c1OC)Cl)C=CC(=O)C 1458a_100000184590_200000210301 [0,2,0,0,0,0|1,0,0]=3 886 B16R1.414 COc1cc(cc(c1OC)Cl)C=CC(=O)[13CH3] 1458a_100000184590_200025704644 [0,2,0,0,0,0|1,0,0]=3 887 B16R1.423 COc1cc(cc(c1O)CO)C=CC(C)O 271570a_200011019289_100000185604 [0,2,0,0,0,0|1,0,1]=4 888 B16R1.423 COc1cc(cc(c1O)OC)C=CC(=O)C 1458a_100000764192_200000210301 [0,2,0,0,0,0|1,0,0]=3 889 B16R1.423 COc1cc(cc(c1O)OC)C=CC(=O)[13CH3] 1458a_100000764192_200025704644 [0,2,0,0,0,0|1,0,0]=3 890 B16R1.423 COc1cc(cc(c1O)OC)C=CC(C)O 271570a_200011019289_100000691893 [0,2,0,0,0,0|1,0,1]=4 891 B16R1.4035 CCOc1cc(cc(c1O)Cl)C=CC(=O)C 1458a_100015194376_200000210301 [0,2,0,0,0,0|1,0,0]=3 892 B16R1.4035 CCOc1cc(cc(c1O)Cl)C=CC(=O)[13CH3] 1458a_100015194376_200025704644 [0,2,0,0,0,0|1,0,0]=3 893 B16R1.1097 COC(=O)c1cc(ccc1O)C=CC(C)O 271570a_200011019289_100000149868 [0,2,0,0,0,0|1,0,1]=4 894 B16R1.10273 CC=Cc1cc(ccc1OC)/C=C/C(=O)C 271570a_100016259895_200016254069 [0,2,0,0,0,0|2,0,0]=4 895 B16R1.10273 CCOc1cc(ccc1OC)/C=C/[N+](=O)[O-] 34a_100016278493_100000210202 [0,2,0,0,0,0|1,0,1]=4 896 B16R1.10273 CCOc1cc(ccc1OC)C=CC(=O)C 1458a_100000184759_200000210301 [0,2,0,0,0,0|1,0,0]=3 897 B16R1.10273 CCOc1cc(ccc1OC)C=CC(=O)[13CH3] 1458a_100000184759_200025704644 [0,2,0,0,0,0|1,0,0]=3 898 B16R1.10273 CCOc1cc(ccc1OC)C=CC(C)O 271570a_200011019289_200010219349 [0,2,0,0,0,0|1,0,1]=4 899 B16R1.10273 CCOc1cc(ccc1OC)C=C[N+](=O)[O-] 34a_200011407368_200000210301 [0,2,0,0,0,0|1,0,1]=4 900 B16R1.10273 CCOc1cc(ccc1O[13CH3])C=C[N+](=O)[O-] 34a_200011407368_200025704644 [0,2,0,0,0,0|1,0,1]=4 901 B16R1.10273 CCSc1cc(ccc1OC)/C=C/C(=O)C 62a_100000210202_200016254069 [0,2,0,0,0,0|1,1,0]=4 902 B16R1.10273 CCSc1cc(ccc1OC)/C=C/C(=O)C 62a_200016254069_100000210202 [0,2,0,0,0,0|1,1,0]=4 903 B16R1.10273 COCc1cc(ccc1OC)C=CC(C)O 271570a_200011019289_200011493686 [0,2,0,0,0,0|1,0,1]=4 904 B16R1.10273 COc1ccc(cc1OCF)/C=C/[N+](=O)[O-] 34a_100016278493_100015361967 [0,2,0,0,0,0|1,0,1]=4 905 B16R1.10273 COc1ccc(cc1SCF)/C=C/C(=O)C 62a_100015361967_200016254069 [0,2,0,0,0,0|1,1,0]=4 906 B16R1.10273 COc1ccc(cc1SCF)/C=C/C(=O)C 62a_200016254069_100015361967 [0,2,0,0,0,0|1,1,0]=4 907 B16R1.12748 CCOc1cc(ccc1O)C(=O)CC(=O)N 1458a_100011260950_100000187820 [0,2,0,0,0,0|1,0,1]=4 908 B16R1.12748 CCOc1cc(ccc1O)C(=O)CC(=O)[O-] 1458a_100011260950_100020667443 [0,2,0,0,0,0|0,0,2]=4 909 B16R1.12750 CCOc1cc(ccc1F)C=CC(=O)CBr 6a_200000106648_100009888967 [0,2,0,0,0,0|2,0,0]=4 910 B16R1.12750 CCOc1cc(ccc1F)C=CC(=O)CC 6a_200000106648_100000211110 [0,2,0,0,0,0|2,0,0]=4 911 B16R1.12750 CCOc1cc(ccc1F)C=CC(=O)CCl 6a_200000106648_100000086384 [0,2,0,0,0,0|2,0,0]=4 912 B16R1.12750 CCOc1cc(ccc1F)C=CC(=O)CF 6a_200000106648_100000764096 [0,2,0,0,0,0|2,0,0]=4 913 B16R1.12750 CCOc1cc(ccc1O)CNC(=O)CO 240690a_200000751567_100000210174 [0,2,0,0,0,0|1,0,1]=4 914 B16R1.12750 CCOc1cc(ccc1O)CNC(=O)CO 527a_200000751567_100000210174 [0,2,0,0,0,0|1,0,1]=4 915 B16R1.22892 CCOc1c(ccc(c1F)C=CC(=O)C)Cl 1458a_200010116263_200000210301 [0,2,0,0,0,0|2,0,0]=4 916 B16R1.22892 CCOc1c(ccc(c1F)C=CC(=O)C)F 1458a_100000061557_200000210301 [0,2,0,0,0,0|2,0,0]=4 917 B16R1.22892 CCOc1c(ccc(c1F)C=CC(=O)[13CH3])Cl 1458a_200010116263_200025704644 [0,2,0,0,0,0|2,0,0]=4 918 B16R1.22892 CCOc1c(ccc(c1F)C=CC(=O)[13CH3])F 1458a_100000061557_200025704644 [0,2,0,0,0,0|2,0,0]=4 919 B16R1.4265 C=C(C)c1cc(ccc1OC)/C=C/C(=O)C 271570a_100000694244_200016254069 [0,2,0,0,0,0|2,0,0]=4 920 B16R1.20027 COc1cc(c(cc1O)F)C(=O)CC(=O)C 1458a_100000070787_100010235139 [0,2,0,0,0,0|1,0,1]=4 921 B16R1.20030 CCC(=O)C=Cc1cc(c(cc1Br)F)OC 6a_100010366953_100000211110 [0,2,0,0,0,0|2,0,0]=4 922 B16R1.20030 CCC(=O)C=Cc1cc(c(cc1F)Br)OC 6a_100000695681_100000211110 [0,2,0,0,0,0|2,0,0]=4 923 B16R1.20030 CCC(=O)C=Cc1cc(c(cc1F)Cl)OC 6a_100000050388_100000211110 [0,2,0,0,0,0|2,0,0]=4 924 B16R1.20030 CCC(=O)C=Cc1cc(c(cc1F)F)OC 6a_100010630602_100000211110 [0,2,0,0,0,0|2,0,0]=4 925 B16R1.20030 COC(=O)CSc1cc(c(cc1F)O)OC 62a_100000747449_100010189133 [0,2,0,0,0,0|1,0,1]=4 926 B16R1.20030 COc1cc(c(cc1Br)F)C=CC(=O)CBr 6a_100000695681_100009888967 [0,2,0,0,0,0|2,0,0]=4 927 B16R1.20030 COc1cc(c(cc1Br)F)C=CC(=O)CCl 6a_100000695681_100000086384 [0,2,0,0,0,0|2,0,0]=4 928 B16R1.20030 COc1cc(c(cc1Br)F)C=CC(=O)CF 6a_100000695681_100000764096 [0,2,0,0,0,0|2,0,0]=4 929 B16R1.20030 COc1cc(c(cc1Cl)F)C=CC(=O)CBr 6a_100000050388_100009888967 [0,2,0,0,0,0|2,0,0]=4 930 B16R1.20030 COc1cc(c(cc1Cl)F)C=CC(=O)CCl 6a_100000050388_100000086384 [0,2,0,0,0,0|2,0,0]=4 931 B16R1.20030 COc1cc(c(cc1Cl)F)C=CC(=O)CF 6a_100000050388_100000764096 [0,2,0,0,0,0|2,0,0]=4 932 B16R1.20030 COc1cc(c(cc1F)Br)C=CC(=O)CBr 6a_100010366953_100009888967 [0,2,0,0,0,0|2,0,0]=4 933 B16R1.20030 COc1cc(c(cc1F)Br)C=CC(=O)CCl 6a_100010366953_100000086384 [0,2,0,0,0,0|2,0,0]=4 934 B16R1.20030 COc1cc(c(cc1F)Br)C=CC(=O)CF 6a_100010366953_100000764096 [0,2,0,0,0,0|2,0,0]=4 935 B16R1.20030 COc1cc(c(cc1F)F)C=CC(=O)CBr 6a_100010630602_100009888967 [0,2,0,0,0,0|2,0,0]=4 936 B16R1.20030 COc1cc(c(cc1F)F)C=CC(=O)CCl 6a_100010630602_100000086384 [0,2,0,0,0,0|2,0,0]=4 937 B16R1.20030 COc1cc(c(cc1F)F)C=CC(=O)CF 6a_100010630602_100000764096 [0,2,0,0,0,0|2,0,0]=4 938 B16R1.20040 COc1cc(c(cc1OC)C=CC(=O)C)Br 1458a_200000186731_200000210301 [0,2,0,0,0,0|1,0,0]=3 939 B16R1.20040 COc1cc(c(cc1OC)C=CC(=O)[13CH3])Br 1458a_200000186731_200025704644 [0,2,0,0,0,0|1,0,0]=3 940 B16R1.20040 COc1cc(c(cc1OC)C=CC(C)O)F 271570a_200011019289_200011765842 [0,2,0,0,0,0|1,0,1]=4 941 B16R1.20060 COc1cc(c(cc1O)C=O)C=CC(C)O 271570a_200011019289_100000183646 [0,2,0,0,0,0|1,0,1]=4 942 B16R1.20060 COc1cc(c(cc1O)OC)C=CC(C)O 271570a_200011019289_100009816818 [0,2,0,0,0,0|1,0,1]=4 943 B16R1.20063 COc1cc(c(cc1O)F)C=CC(C)(C)O 271570a_200016258132_100010189133 [0,2,0,0,0,0|1,0,1]=4 944 B16R1.84799 COc1cc(ccc1CO)C=CC(C)(C)O 271570a_200016258132_100011277633 [0,2,0,0,0,0|1,0,1]=4 945 B16R1.84799 COc1ccc(cc1OC)C=CC(C)(C)O 271570a_200016258132_100000187503 [0,2,0,0,0,0|1,0,1]=4 946 B16R1.4273 COc1ccc(cc1OC)C(=O)CC(=O)C 1458a_100000070787_100000184214 [0,2,0,0,0,0|1,0,1]=4 947 B16R1.4273 COc1ccc(cc1OC)C(=O)CC(=O)N 1458a_100000211223_100000187820 [0,2,0,0,0,0|1,0,1]=4 948 B16R1.4273 COc1ccc(cc1OC)C(=O)CC(=O)[O-] 1458a_100000211223_100020667443 [0,2,0,0,0,0|0,0,2]=4 949 B16R1.4727 C#CC(=O)CC(=O)c1ccc(c(c1)OC)O 1458a_100000211873_100010206313 [0,2,0,0,0,0|1,0,1]=4 950 B16R1.4727 C=CC(=O)CC(=O)c1ccc(c(c1)OC)O 1458a_100000185746_100010206313 [0,2,0,0,0,0|1,0,1]=4 951 B16R1.4727 CCC(=O)CC(=O)c1ccc(c(c1)OC)O 1458a_100000210414_100010206313 [0,2,0,0,0,0|1,0,1]=4 952 B16R1.4727 CCC(=O)CC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000747405 [0,2,0,0,0,0|1,0,1]=4 953 B16R1.4727 CNC(=O)CC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000183359 [0,2,0,0,0,0|1,0,1]=4 954 B16R1.4727 COC(=O)CC(=O)c1ccc(c(c1)OC)Br 1458a_100011934951_100000747449 [0,2,0,0,0,0|1,0,1]=4 955 B16R1.4727 COC(=O)CC(=O)c1ccc(c(c1)OC)C 1458a_100000212341_100000747449 [0,2,0,0,0,0|1,0,1]=4 956 B16R1.4727 COC(=O)CC(=O)c1ccc(c(c1)OC)Cl 1458a_100000181799_100000747449 [0,2,0,0,0,0|1,0,1]=4 957 B16R1.4727 COC(=O)CC(=O)c1ccc(c(c1)OC)F 1458a_100000757635_100000747449 [0,2,0,0,0,0|1,0,1]=4 958 B16R1.4727 COC(=O)CC(=O)c1ccc(c(c1)OC)I 1458a_100012356290_100000747449 [0,2,0,0,0,0|1,0,1]=4 959 B16R1.4727 COC(=O)CC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000747449 [0,2,0,0,0,0|0,0,1]=3 960 B16R1.4727 COc1cc(ccc1Br)C(=O)CC(=O)CO 1458a_100000210174_200010710740 [0,2,0,0,0,0|1,0,1]=4 961 B16R1.4727 COc1cc(ccc1F)C(=O)CC(=O)CO 1458a_100000210174_200012348595 [0,2,0,0,0,0|1,0,1]=4 962 B16R1.4727 COc1cc(ccc1O)C(=O)CC(=O)CO 1458a_100000210174_100010206313 [0,2,0,0,0,0|0,0,1]=3 963 B16R1.4731 COc1cc(ccc1O)C(=O)C(C)C(=O)C 1458a_100000687070_100000179758 [0,2,0,0,0,0|1,0,1]=4 964 B16R1.4731 COc1cc(ccc1O)C(=O)C(C)C(=O)N 1458a_100000687070_100000702099 [0,2,0,0,0,0|1,0,1]=4 965 B16R1.4731 COc1cc(ccc1O)C(=O)C(F)C(=O)N 1458a_100000687070_100009813875 [0,2,0,0,0,0|1,0,1]=4 966 B16R1.4731 COc1cc(ccc1O)C(=O)C(F)C(=O)[O-] 1458a_100000687070_100020610796 [0,2,0,0,0,0|0,0,2]=4 967 B16R1.4274 COc1cc(ccc1CO)NC(=O)C(=O)N 22a_100012183141_100011215815 [0,2,0,0,0,0|2,0,0]=4 968 B16R1.4274 COc1cc(ccc1O[13CH3])C=C(C)[N+](=O)[O-] 34a_200116372986_200025704644 [0,2,0,0,0,0|1,0,1]=4 969 B16R1.4274 COc1ccc(cc1OC)C=C(C)[N+](=O)[O-] 34a_200116372986_200000210301 [0,2,0,0,0,0|1,0,1]=4 970 B16R1.4274 COc1ccc(cc1OC)NC(=O)C(=O)N 22a_100000187404_100011215815 [0,2,0,0,0,0|2,0,0]=4 971 B16R1.4730 C=C(CO)C(=O)Nc1ccc(c(c1)OC)O 22a_100000726020_200000705526 [0,2,0,0,0,0|2,0,0]=4 972 B16R1.4730 CNC(=O)C(=O)Nc1ccc(c(c1)OC)O 22a_100000726020_100011218921 [0,2,0,0,0,0|2,0,0]=4 973 B16R1.4730 CNC(=O)C(=O)Nc1ccc(c(c1)OC)O 527a_100000726020_100011218921 [0,2,0,0,0,0|2,0,0]=4 974 B16R1.4730 COC(=O)C(=O)Nc1ccc(c(c1)OC)Br 11a_100000765947_100000024059 [0,2,0,0,0,0|2,0,0]=4 975 B16R1.4730 COC(=O)C(=O)Nc1ccc(c(c1)OC)Br 1626a_100000765947_100000024059 [0,2,0,0,0,0|2,0,0]=4 976 B16R1.4730 COC(=O)C(=O)Nc1ccc(c(c1)OC)Br 527a_100000765947_100000024059 [0,2,0,0,0,0|2,0,0]=4 977 B16R1.4730 COC(=O)C(=O)Nc1ccc(c(c1)OC)C 11a_100011279678_100000024059 [0,2,0,0,0,0|2,0,0]=4 978 B16R1.4730 COC(=O)C(=O)Nc1ccc(c(c1)OC)C 1626a_100011279678_100000024059 [0,2,0,0,0,0|2,0,0]=4 979 B16R1.4730 COC(=O)C(=O)Nc1ccc(c(c1)OC)C 527a_100011279678_100000024059 [0,2,0,0,0,0|2,0,0]=4 980 B16R1.4730 COC(=O)C(=O)Nc1ccc(c(c1)OC)Cl 11a_100000742311_100000024059 [0,2,0,0,0,0|2,0,0]=4 981 B16R1.4730 COC(=O)C(=O)Nc1ccc(c(c1)OC)Cl 1626a_100000742311_100000024059 [0,2,0,0,0,0|2,0,0]=4 982 B16R1.4730 COC(=O)C(=O)Nc1ccc(c(c1)OC)Cl 527a_100000742311_100000024059 [0,2,0,0,0,0|2,0,0]=4 983 B16R1.4730 COC(=O)C(=O)Nc1ccc(c(c1)OC)F 11a_100000701188_100000024059 [0,2,0,0,0,0|2,0,0]=4 984 B16R1.4730 COC(=O)C(=O)Nc1ccc(c(c1)OC)F 1626a_100000701188_100000024059 [0,2,0,0,0,0|2,0,0]=4 985 B16R1.4730 COC(=O)C(=O)Nc1ccc(c(c1)OC)F 527a_100000701188_100000024059 [0,2,0,0,0,0|2,0,0]=4 986 B16R1.4730 COC(=O)C(=O)Nc1ccc(c(c1)OC)I 11a_100000746945_100000024059 [0,2,0,0,0,0|2,0,0]=4 987 B16R1.4730 COC(=O)C(=O)Nc1ccc(c(c1)OC)I 1626a_100000746945_100000024059 [0,2,0,0,0,0|2,0,0]=4 988 B16R1.4730 COC(=O)C(=O)Nc1ccc(c(c1)OC)I 527a_100000746945_100000024059 [0,2,0,0,0,0|2,0,0]=4 989 B16R1.4730 COC(=O)C(=O)Nc1ccc(c(c1)OC)O 527a_100000726020_100000024059 [0,2,0,0,0,0|1,0,0]=3 990 B16R1.4730 COC(=O)C(C)Nc1ccc(c(c1)OC)O 34a_100000726020_100000211248 [0,2,0,0,0,0|1,0,1]=4 991 B16R1.4730 COC(=O)C(C)Sc1ccc(c(c1)OC)O 62a_100000211248_100000694246 [0,2,0,0,0,0|1,0,1]=4 992 B16R1.4763 COc1cc(ccc1O)C=C(C#N)C(=O)C 1458a_100000162688_200000210301 [0,2,0,0,0,0|1,0,0]=3 993 B16R1.4763 COc1cc(ccc1O)C=C(C#N)C(=O)[13CH3] 1458a_100000162688_200025704644 [0,2,0,0,0,0|1,0,0]=3 994 B16R1.4276 CCC(=O)C=Cc1ccc(c(c1)OC)OC 1458a_100015194992_100000210202 [0,2,0,0,0,0|1,0,0]=3 995 B16R1.4276 CNC(=O)C=Cc1ccc(c(c1)OC)OC 11a_106832991635_100015194992 [0,2,0,0,0,0|1,0,0]=3 996 B16R1.4276 CNC(=O)C=Cc1ccc(c(c1)OC)OC 1626a_100102657272_100015194992 [0,2,0,0,0,0|1,0,0]=3 997 B16R1.4276 CNC(=O)C=Cc1ccc(c(c1)OC)OC 240690a_100102657272_100015194992 [0,2,0,0,0,0|1,0,0]=3 998 B16R1.4276 CNC(=O)C=Cc1ccc(c(c1)OC)OC 527a_100102657272_100015194992 [0,2,0,0,0,0|1,0,0]=3 999 B16R1.4276 COC(=O)C=Cc1ccc(c(c1)OC)OC 34a_100000149373_200000210301 [0,2,0,0,0,0|0,0,0]=2 1000 B16R1.4276 COC(=O)C=Cc1ccc(c(c1)OC)OC 34a_100000724557_200000210301 [0,2,0,0,0,0|0,0,0]=2 1001 B16R1.4276 COC(=O)C=Cc1ccc(c(c1)OC)O[13CH3] 34a_100000149373_200025704644 [0,2,0,0,0,0|0,0,0]=2 1002 B16R1.4276 COC(=O)C=Cc1ccc(c(c1)O[13CH3])OC 34a_100000724557_200025704644 [0,2,0,0,0,0|0,0,0]=2 1003 B16R1.4276 COC(=O)CCc1ccc(c(c1)OC)OC 34a_100000056475_200000210301 [0,2,0,0,0,0|0,0,2]=4 1004 B16R1.4276 COC(=O)CCc1ccc(c(c1)OC)OC 34a_100000070228_200000210301 [0,2,0,0,0,0|0,0,2]=4 1005 B16R1.4276 COC(=O)CCc1ccc(c(c1)OC)OC 7a_100000056475_200000210301 [0,2,0,0,0,0|0,0,2]=4 1006 B16R1.4276 COC(=O)CCc1ccc(c(c1)OC)OC 7a_100000070228_200000210301 [0,2,0,0,0,0|0,0,2]=4 1007 B16R1.4276 COC(=O)CCc1ccc(c(c1)OC)O[13CH3] 34a_100000070228_200025704644 [0,2,0,0,0,0|0,0,2]=4 1008 B16R1.4276 COC(=O)CCc1ccc(c(c1)OC)O[13CH3] 7a_100000070228_200025704644 [0,2,0,0,0,0|0,0,2]=4 1009 B16R1.4276 COC(=O)CCc1ccc(c(c1)O[13CH3])OC 34a_100000056475_200025704644 [0,2,0,0,0,0|0,0,2]=4 1010 B16R1.4276 COC(=O)CCc1ccc(c(c1)O[13CH3])OC 7a_100000056475_200025704644 [0,2,0,0,0,0|0,0,2]=4 1011 B16R1.4276 COC(=O)CNc1ccc(c(c1)OC)CO 34a_100012183141_100000747449 [0,2,0,0,0,0|1,0,1]=4 1012 B16R1.4276 COC(=O)CNc1ccc(c(c1)OC)OC 34a_100000187404_100000747449 [0,2,0,0,0,0|1,0,1]=4 1013 B16R1.4276 COC(=O)COc1ccc(c(c1)OC)CO 34a_200000116926_100000747449 [0,2,0,0,0,0|1,0,1]=4 1014 B16R1.4276 COC(=O)COc1ccc(c(c1)OC)OC 34a_100000039706_100000747449 [0,2,0,0,0,0|1,0,1]=4 1015 B16R1.4276 COC(=O)CSc1ccc(c(c1)OC)CO 62a_100000747449_100011277633 [0,2,0,0,0,0|1,0,1]=4 1016 B16R1.4276 COC(=O)CSc1ccc(c(c1)OC)CO 62a_100011277633_100000747449 [0,2,0,0,0,0|1,0,1]=4 1017 B16R1.4276 COC(=O)CSc1ccc(c(c1)OC)OC 62a_100000747449_100011356967 [0,2,0,0,0,0|1,0,1]=4 1018 B16R1.4276 COc1ccc(cc1OC)C=CC(=O)CF 1458a_100015194992_100015361967 [0,2,0,0,0,0|1,0,0]=3 1019 B16R1.4276 COc1ccc(cc1OC)CCC(=O)CO 1458a_100000210174_100011740610 [0,2,0,0,0,0|0,0,2]=4 1020 B16R1.4276 COc1ccc(cc1OC)CNC(=O)CO 240690a_100000185555_100000210174 [0,2,0,0,0,0|1,0,1]=4 1021 B16R1.4276 COc1ccc(cc1OC)CNC(=O)CO 527a_100000185555_100000210174 [0,2,0,0,0,0|1,0,1]=4 1022 B16R1.15083 C#CCC(=O)C=Cc1ccc(c(c1)OC)Br 1458a_100016267305_100000184674 [0,2,0,0,0,0|2,0,0]=4 1023 B16R1.15083 C#CCC(=O)C=Cc1ccc(c(c1)OC)O 1458a_100000182119_100000184674 [0,2,0,0,0,0|1,0,0]=3 1024 B16R1.15083 C=CCC(=O)C=Cc1ccc(c(c1)OC)Br 1458a_100016267305_100000210623 [0,2,0,0,0,0|2,0,0]=4 1025 B16R1.15083 C=CCC(=O)C=Cc1ccc(c(c1)OC)O 1458a_100000182119_100000210623 [0,2,0,0,0,0|1,0,0]=3 1026 B16R1.15083 C=COC(=O)CNc1ccc(c(c1)OC)O 34a_100000726020_100000036128 [0,2,0,0,0,0|1,0,1]=4 1027 B16R1.15083 C=COC(=O)CSc1ccc(c(c1)OC)O 62a_100000036128_100000694246 [0,2,0,0,0,0|1,0,1]=4 1028 B16R1.15083 CCCC(=O)C=Cc1ccc(c(c1)OC)Br 1458a_100016267305_100000210303 [0,2,0,0,0,0|2,0,0]=4 1029 B16R1.15083 CCCC(=O)C=Cc1ccc(c(c1)OC)C 6a_100000719150_100011215381 [0,2,0,0,0,0|2,0,0]=4 1030 B16R1.15083 CCCC(=O)C=Cc1ccc(c(c1)OC)Cl 6a_100011998524_100011215381 [0,2,0,0,0,0|2,0,0]=4 1031 B16R1.15083 CCCC(=O)C=Cc1ccc(c(c1)OC)F 6a_100000692873_100011215381 [0,2,0,0,0,0|2,0,0]=4 1032 B16R1.15083 CCCC(=O)C=Cc1ccc(c(c1)OC)O 1458a_100000182119_100000210303 [0,2,0,0,0,0|1,0,0]=3 1033 B16R1.15083 CCNC(=O)C=Cc1ccc(c(c1)OC)Br 11a_100015525214_100016267305 [0,2,0,0,0,0|2,0,0]=4 1034 B16R1.15083 CCNC(=O)C=Cc1ccc(c(c1)OC)Br 240690a_100015525214_100016267305 [0,2,0,0,0,0|2,0,0]=4 1035 B16R1.15083 CCOC(=O)C=Cc1c[nH]c(=O)c(c1)OC 271570a_100010199719_100010125397 [0,2,0,0,0,0|1,0,1]=4 1036 B16R1.15083 CCOC(=O)C=Cc1cc(c(cn1)C)OC 271570a_100010199719_100010067687 [0,2,0,0,0,0|2,0,0]=4 1037 B16R1.15083 CCOC(=O)C=Cc1cc(c(cn1)F)OC 271570a_100010199719_200010136270 [0,2,0,0,0,0|2,0,0]=4 1038 B16R1.15083 CCOC(=O)C=Cc1cc(c(cn1)N)OC 271570a_100010199719_100009887741 [0,2,0,0,0,0|2,0,0]=4 1039 B16R1.15083 CCOC(=O)C=Cc1ccc(c(c1)C#N)O 271570a_100010199719_100000687585 [0,2,0,0,0,0|2,0,0]=4 1040 B16R1.15083 CCOC(=O)C=Cc1ccc(c(c1)C=O)O 271570a_100010199719_100000186750 [0,2,0,0,0,0|2,0,0]=4 1041 B16R1.15083 CCOC(=O)C=Cc1ccc(c(c1)CC)Br 271570a_100010199719_100010244631 [0,2,0,0,0,0|2,0,0]=4 1042 B16R1.15083 CCOC(=O)C=Cc1ccc(c(c1)CC)F 271570a_100010199719_100010244625 [0,2,0,0,0,0|2,0,0]=4 1043 B16R1.15083 CCOC(=O)C=Cc1ccc(c(c1)CC)N 271570a_100010199719_100000686106 [0,2,0,0,0,0|2,0,0]=4 1044 B16R1.15083 CCOC(=O)C=Cc1ccc(c(c1)CC)O 271570a_100010199719_100012338938 [0,2,0,0,0,0|1,0,0]=3 1045 B16R1.15083 CCOC(=O)C=Cc1ccc(c(c1)CN)O 271570a_100010199719_100000730032 [0,2,0,0,0,0|2,0,0]=4 1046 B16R1.15083 CCOC(=O)C=Cc1ccc(c(c1)CO)O 271570a_100010199719_100000184703 [0,2,0,0,0,0|2,0,0]=4 1047 B16R1.15083 CCOC(=O)C=Cc1ccc(c(c1)NC)C 271570a_100010199719_100020629602 [0,2,0,0,0,0|2,0,0]=4 1048 B16R1.15083 CCOC(=O)C=Cc1ccc(c(c1)NC)F 271570a_100010199719_100011314990 [0,2,0,0,0,0|2,0,0]=4 1049 B16R1.15083 CCOC(=O)C=Cc1ccc(c(c1)NC)N 271570a_100010199719_100000694363 [0,2,0,0,0,0|2,0,0]=4 1050 B16R1.15083 CCOC(=O)C=Cc1ccc(c(c1)OC)Br 271570a_100010199719_100012353699 [0,2,0,0,0,0|1,0,0]=3 1051 B16R1.15083 CCOC(=O)C=Cc1ccc(c(c1)OC)C 271570a_100010199719_100011830276 [0,2,0,0,0,0|1,0,0]=3 1052 B16R1.15083 CCOC(=O)C=Cc1ccc(c(c1)OC)Cl 271570a_100010199719_100011356853 [0,2,0,0,0,0|1,0,0]=3 1053 B16R1.15083 CCOC(=O)C=Cc1ccc(c(c1)OC)F 271570a_100010199719_100011934186 [0,2,0,0,0,0|1,0,0]=3 1054 B16R1.15083 CCOC(=O)C=Cc1ccc(c(c1)OC)N 271570a_100010199719_100011279103 [0,2,0,0,0,0|1,0,0]=3 1055 B16R1.15083 CCOC(=O)C=Cc1ccc(c(c1)OC)O 271570a_100010199719_100000694246 [0,2,0,0,0,0|0,0,0]=2 1056 B16R1.15083 CCOC(=O)C=Cc1ccc(c(c1)SC)F 271570a_100010199719_100010341305 [0,2,0,0,0,0|1,1,0]=4 1057 B16R1.15083 CCOC(=O)C=Cc1ccc(c(n1)OC)N 271570a_100010199719_100000687816 [0,2,0,0,0,0|2,0,0]=4 1058 B16R1.15083 CCOC(=O)C=Cc1ccc(c(n1)OC)O 271570a_100010199719_100010893133 [0,2,0,0,0,0|1,0,0]=3 1059 B16R1.15083 CCOC(=O)C=Cc1cnc(c(c1)OC)C 271570a_100010199719_100010254219 [0,2,0,0,0,0|2,0,0]=4 1060 B16R1.15083 CCOC(=O)C=Cc1cnc(c(c1)OC)F 271570a_100010199719_100010214931 [0,2,0,0,0,0|2,0,0]=4 1061 B16R1.15083 CCOC(=O)C=Cc1cnc(c(c1)OC)N 271570a_100010199719_106354213024 [0,2,0,0,0,0|2,0,0]=4 1062 B16R1.15083 CCOC(=O)C=Cc1cnc(c(n1)OC)O 271570a_100010199719_200010365344 [0,2,0,0,0,0|2,0,0]=4 1063 B16R1.15083 CCOC(=O)CNc1ccc(c(c1)OC)O 34a_100000726020_100000188475 [0,2,0,0,0,0|1,0,1]=4 1064 B16R1.15083 CCOC(=O)CSc1ccc(c(c1)OC)O 62a_100000188475_100000694246 [0,2,0,0,0,0|1,0,1]=4 1065 B16R1.15083 CNNC(=O)C=Cc1ccc(c(c1)OC)Br 22a_100016993582_100016267305 [0,2,0,0,0,0|2,0,0]=4 1066 B16R1.15083 COCC(=O)C=Cc1ccc(c(c1)OC)C 6a_100000719150_100000211753 [0,2,0,0,0,0|1,0,0]=3 1067 B16R1.15083 COCC(=O)C=Cc1ccc(c(c1)OC)Cl 6a_100011998524_100000211753 [0,2,0,0,0,0|1,0,0]=3 1068 B16R1.15083 COCC(=O)C=Cc1ccc(c(c1)OC)F 6a_100000692873_100000211753 [0,2,0,0,0,0|1,0,0]=3 1069 B16R1.15083 COCC(=O)CCc1ccc(c(c1)OC)O 1458a_100000210968_100010741665 [0,2,0,0,0,0|0,0,2]=4 1070 B16R1.15083 COCC(=O)NCc1ccc(c(c1)OC)O 11a_100000185554_100000210968 [0,2,0,0,0,0|1,0,1]=4 1071 B16R1.15083 COCC(=O)NCc1ccc(c(c1)OC)O 240690a_100000185554_100000210968 [0,2,0,0,0,0|1,0,1]=4 1072 B16R1.15083 COCC(=O)NCc1ccc(c(c1)OC)O 527a_100000185554_100000210968 [0,2,0,0,0,0|1,0,1]=4 1073 B16R1.15083 COc1cc(ccc1Br)C=CC(=O)CC#N 1458a_100016267305_100011214920 [0,2,0,0,0,0|2,0,0]=4 1074 B16R1.15083 COc1cc(ccc1Br)C=CC(=O)CCF 1458a_100016267305_100011217306 [0,2,0,0,0,0|2,0,0]=4 1075 B16R1.15083 COc1cc(ccc1Br)C=CC(=O)CCO 1458a_100016267305_100000211926 [0,2,0,0,0,0|1,0,0]=3 1076 B16R1.15083 COc1cc(ccc1C)C=CC(=O)CC#N 6a_100000719150_100000184835 [0,2,0,0,0,0|2,0,0]=4 1077 B16R1.15083 COc1cc(ccc1C)C=CC(=O)CCBr 6a_100000719150_100011261029 [0,2,0,0,0,0|2,0,0]=4 1078 B16R1.15083 COc1cc(ccc1C)C=CC(=O)CCCl 6a_100000719150_100000053229 [0,2,0,0,0,0|2,0,0]=4 1079 B16R1.15083 COc1cc(ccc1C)C=CC(=O)CSC 6a_100000719150_100011216314 [0,2,0,0,0,0|1,1,0]=4 1080 B16R1.15083 COc1cc(ccc1Cl)C=CC(=O)CC#N 6a_100011998524_100000184835 [0,2,0,0,0,0|2,0,0]=4 1081 B16R1.15083 COc1cc(ccc1Cl)C=CC(=O)CCBr 6a_100011998524_100011261029 [0,2,0,0,0,0|2,0,0]=4 1082 B16R1.15083 COc1cc(ccc1Cl)C=CC(=O)CCCl 6a_100011998524_100000053229 [0,2,0,0,0,0|2,0,0]=4 1083 B16R1.15083 COc1cc(ccc1Cl)C=CC(=O)CSC 6a_100011998524_100011216314 [0,2,0,0,0,0|1,1,0]=4 1084 B16R1.15083 COc1cc(ccc1F)C=CC(=O)CC#N 6a_100000692873_100000184835 [0,2,0,0,0,0|2,0,0]=4 1085 B16R1.15083 COc1cc(ccc1F)C=CC(=O)CCBr 6a_100000692873_100011261029 [0,2,0,0,0,0|2,0,0]=4 1086 B16R1.15083 COc1cc(ccc1F)C=CC(=O)CCCl 6a_100000692873_100000053229 [0,2,0,0,0,0|2,0,0]=4 1087 B16R1.15083 COc1cc(ccc1F)C=CC(=O)CSC 6a_100000692873_100011216314 [0,2,0,0,0,0|1,1,0]=4 1088 B16R1.15083 COc1cc(ccc1O)C=CC(=O)CC#N 1458a_100000182119_100011214920 [0,2,0,0,0,0|1,0,0]=3 1089 B16R1.15083 COc1cc(ccc1O)C=CC(=O)CCF 1458a_100000182119_100011217306 [0,2,0,0,0,0|1,0,0]=3 1090 B16R1.15083 COc1cc(ccc1O)C=CC(=O)CCO 1458a_100000182119_100000211926 [0,2,0,0,0,0|0,0,0]=2 1091 B16R1.15083 COc1cc(ccc1O)CCC(=O)CCO 1458a_100011216321_100000211926 [0,2,0,0,0,0|0,0,2]=4 1092 B16R1.15083 COc1cc(ccc1O)CCC(=O)CCO 1458a_100011216618_100010741665 [0,2,0,0,0,0|0,0,2]=4 1093 B16R1.15083 COc1cc(ccc1O)CNC(=O)CCO 240690a_100000185554_100011216618 [0,2,0,0,0,0|1,0,1]=4 1094 B16R1.15083 COc1cc(ccc1O)NCC(=O)NCO 34a_100000726020_100000185155 [0,2,0,0,0,0|1,0,1]=4 1095 B16R1.15083 COc1cc(ccc1O)SCC(=O)NCO 62a_100000185155_100000694246 [0,2,0,0,0,0|1,0,1]=4 1096 B16R1.35447 CCC(=O)C=Cc1ccc(c(c1F)OC)Cl 1458a_100020621803_100000210202 [0,2,0,0,0,0|2,0,0]=4 1097 B16R1.35447 CCC(=O)C=Cc1ccc(c(c1F)OC)Cl 6a_100009889114_100000211110 [0,2,0,0,0,0|2,0,0]=4 1098 B16R1.35447 CCC(=O)C=Cc1ccc(c(c1F)OC)F 6a_100000050928_100000211110 [0,2,0,0,0,0|2,0,0]=4 1099 B16R1.35447 CNC(=O)C=Cc1ccc(c(c1F)OC)Cl 11a_106832991635_100020621803 [0,2,0,0,0,0|2,0,0]=4 1100 B16R1.35447 CNC(=O)C=Cc1ccc(c(c1F)OC)Cl 1626a_100102657272_100020621803 [0,2,0,0,0,0|2,0,0]=4 1101 B16R1.35447 CNC(=O)C=Cc1ccc(c(c1F)OC)Cl 240690a_100102657272_100020621803 [0,2,0,0,0,0|2,0,0]=4 1102 B16R1.35447 COc1c(ccc(c1F)C=CC(=O)CBr)Cl 6a_100009889114_100009888967 [0,2,0,0,0,0|2,0,0]=4 1103 B16R1.35447 COc1c(ccc(c1F)C=CC(=O)CBr)F 6a_100000050928_100009888967 [0,2,0,0,0,0|2,0,0]=4 1104 B16R1.35447 COc1c(ccc(c1F)C=CC(=O)CCl)Cl 6a_100009889114_100000086384 [0,2,0,0,0,0|2,0,0]=4 1105 B16R1.35447 COc1c(ccc(c1F)C=CC(=O)CCl)F 6a_100000050928_100000086384 [0,2,0,0,0,0|2,0,0]=4 1106 B16R1.35447 COc1c(ccc(c1F)C=CC(=O)CF)Cl 1458a_100020621803_100015361967 [0,2,0,0,0,0|2,0,0]=4 1107 B16R1.35447 COc1c(ccc(c1F)C=CC(=O)CF)Cl 6a_100009889114_100000764096 [0,2,0,0,0,0|2,0,0]=4 1108 B16R1.35447 COc1c(ccc(c1F)C=CC(=O)CF)F 6a_100000050928_100000764096 [0,2,0,0,0,0|2,0,0]=4 1109 B16R1.20127 COc1ccc(c(c1OC)C)C=CC(C)O 271570a_200011019289_100010000156 [0,2,0,0,0,0|1,0,1]=4 1110 B16R1.20127 COc1ccc(c(c1OC)Cl)C=CC(=O)C 1458a_200020587463_200000210301 [0,2,0,0,0,0|1,0,0]=3 1111 B16R1.20127 COc1ccc(c(c1OC)Cl)C=CC(=O)[13CH3] 1458a_200020587463_200025704644 [0,2,0,0,0,0|1,0,0]=3 1112 B16R1.4746 COc1cc(ccc1B(O)O)C=CC(C)O 271570a_200011019289_100010245881 [0,2,0,0,0,0|1,0,1]=4 1113 B16R1.9381 CCOc1ccc(cc1OC)/C=C/C(=O)C 34a_100102526088_100000210202 [0,2,0,0,0,0|1,0,0]=3 1114 B16R1.9381 CCOc1ccc(cc1OC)C=CC(=O)C 1458a_100000179813_200000210301 [0,2,0,0,0,0|1,0,0]=3 1115 B16R1.9381 CCOc1ccc(cc1OC)C=CC(=O)[13CH3] 1458a_100000179813_200025704644 [0,2,0,0,0,0|1,0,0]=3 1116 B16R1.9381 CCOc1ccc(cc1OC)C=CC(C)O 271570a_200011019289_200012344064 [0,2,0,0,0,0|1,0,1]=4 1117 B16R1.9381 CCOc1ccc(cc1OC)C=C[N+](=O)[O-] 34a_200103042931_100000210202 [0,2,0,0,0,0|1,0,1]=4 1118 B16R1.9381 CNCc1ccc(cc1OC)/C=C/C(=O)C 26a_100102657272_100102526088 [0,2,0,0,0,0|2,0,0]=4 1119 B16R1.9381 CNCc1ccc(cc1OC)C=CC(=O)[O-] 26a_100102657272_100000055555 [0,2,0,0,0,0|1,0,1]=4 1120 B16R1.9381 COc1cc(ccc1OCF)/C=C/C(=O)C 34a_100102526088_100015361967 [0,2,0,0,0,0|1,0,0]=3 1121 B16R1.9381 COc1cc(ccc1OCF)C=C[N+](=O)[O-] 34a_200103042931_100015361967 [0,2,0,0,0,0|1,0,1]=4 1122 B14R2.8239 Oc1ccc2cc(c(cc2c1)O)O 271570a_203496583355_100010179872 [1,0,0,1,0,0|1,0,0]=3 1123 B14R2.203 CNc1c(ccc2c1cccc2)O 34a_100000007056_200000210301 [1,0,0,1,0,0|2,0,0]=4 1124 B14R2.203 COc1c(ccc2c1cccc2)Br 34a_100009996032_200000210301 [1,0,0,1,0,0|2,0,0]=4 1125 B14R2.203 COc1c(ccc2c1cccc2)Br 7a_100009996032_200000210301 [1,0,0,1,0,0|2,0,0]=4 1126 B14R2.203 COc1c(ccc2c1cccc2)C 34a_100000039261_200000210301 [1,0,0,1,0,0|2,0,0]=4 1127 B14R2.203 COc1c(ccc2c1cccc2)C 7a_100000039261_200000210301 [1,0,0,1,0,0|2,0,0]=4 1128 B14R2.203 COc1c(ccc2c1cccc2)N 34a_100000007060_200000210301 [1,0,0,1,0,0|2,0,0]=4 1129 B14R2.203 COc1c(ccc2c1cccc2)O 271570a_203496583355_100010089960 [1,0,0,1,0,0|1,0,0]=3 1130 B14R2.203 COc1c(ccc2c1nccc2)Br 34a_100009816563_200000210301 [1,0,0,1,0,0|2,0,0]=4 1131 B14R2.203 COc1c(ccc2c1nccc2)Cl 34a_100000700379_200000210301 [1,0,0,1,0,0|2,0,0]=4 1132 B14R2.203 COc1c(ccc2c1nccc2)Cl 7a_100000700379_200000210301 [1,0,0,1,0,0|2,0,0]=4 1133 B14R2.203 COc1c(ccc2c1nccc2)O 271570a_203496583355_100010256708 [1,0,0,1,0,0|1,0,0]=3 1134 B14R2.203 CSc1c(ccc2c1cccc2)O 62a_200000210301_100000183829 [1,0,0,1,0,0|1,1,0]=4 1135 B14R2.203 CSc1c(ccc2c1nccc2)O 62a_200000210301_100010173343 [1,0,0,1,0,0|1,1,0]=4 1136 B14R2.203 Cc1ccc2ccccc2c1O[13CH3] 34a_100000039261_200025704644 [1,0,0,1,0,0|2,0,0]=4 1137 B14R2.203 Cc1ccc2ccccc2c1O[13CH3] 7a_100000039261_200025704644 [1,0,0,1,0,0|2,0,0]=4 1138 B14R2.203 [13CH3]Nc1c(ccc2c1cccc2)O 34a_100000007056_200025704644 [1,0,0,1,0,0|2,0,0]=4 1139 B14R2.203 [13CH3]Oc1c(ccc2c1cccc2)Br 34a_100009996032_200025704644 [1,0,0,1,0,0|2,0,0]=4 1140 B14R2.203 [13CH3]Oc1c(ccc2c1cccc2)Br 7a_100009996032_200025704644 [1,0,0,1,0,0|2,0,0]=4 1141 B14R2.203 [13CH3]Oc1c(ccc2c1cccc2)N 34a_100000007060_200025704644 [1,0,0,1,0,0|2,0,0]=4 1142 B14R2.203 [13CH3]Oc1c(ccc2c1nccc2)Br 34a_100009816563_200025704644 [1,0,0,1,0,0|2,0,0]=4 1143 B14R2.203 [13CH3]Oc1c(ccc2c1nccc2)Cl 34a_100000700379_200025704644 [1,0,0,1,0,0|2,0,0]=4 1144 B14R2.203 [13CH3]Oc1c(ccc2c1nccc2)Cl 7a_100000700379_200025704644 [1,0,0,1,0,0|2,0,0]=4 1145 B14R2.203 [13CH3]Sc1c(ccc2c1cccc2)O 62a_200025704644_100000183829 [1,0,0,1,0,0|1,1,0]=4 1146 B14R2.203 [13CH3]Sc1c(ccc2c1nccc2)O 62a_200025704644_100010173343 [1,0,0,1,0,0|1,1,0]=4 1147 B14R2.991 O=CCNc1ccc2c(c1)OCO2 2230a_100000209953_200015260668 [1,0,0,1,0,0|1,0,1]=4 1148 B14R2.991 O=CCNc1ccc2c(c1)OCO2 34a_100000209953_200009817547 [1,0,0,1,0,0|1,0,1]=4 1149 B14R2.991 O=CCOc1ccc2c(c1)OCO2 34a_100000210298_200009817547 [1,0,0,1,0,0|1,0,1]=4 1150 B14R2.1128 COc1cc2ccccc2cc1Br 34a_100009817189_200000210301 [1,0,0,1,0,0|2,0,0]=4 1151 B14R2.1128 COc1cc2ccccc2cc1Br 7a_100009817189_200000210301 [1,0,0,1,0,0|2,0,0]=4 1152 B14R2.1128 COc1cc2ccccc2cc1C 34a_100000091601_200000210301 [1,0,0,1,0,0|2,0,0]=4 1153 B14R2.1128 COc1cc2ccccc2cc1C 7a_100000091601_200000210301 [1,0,0,1,0,0|2,0,0]=4 1154 B14R2.1128 COc1cc2ccccc2cc1N 34a_106744474703_200000210301 [1,0,0,1,0,0|2,0,0]=4 1155 B14R2.1128 COc1cc2ccccc2cc1N 7a_106744474703_200000210301 [1,0,0,1,0,0|2,0,0]=4 1156 B14R2.1128 COc1cc2ccccc2cc1O 271570a_203496583355_100009817100 [1,0,0,1,0,0|1,0,0]=3 1157 B14R2.1128 COc1cc2cccnc2cc1Br 34a_200010153759_200000210301 [1,0,0,1,0,0|2,0,0]=4 1158 B14R2.1128 COc1cc2cccnc2cc1Br 7a_200010153759_200000210301 [1,0,0,1,0,0|2,0,0]=4 1159 B14R2.1128 COc1cc2cccnc2cc1O 271570a_203496583355_100011093944 [1,0,0,1,0,0|1,0,0]=3 1160 B14R2.1128 COc1cc2ccncc2cc1O 271570a_203496583355_100010990640 [1,0,0,1,0,0|2,0,0]=4 1161 B14R2.1128 COc1cc2ncccc2cc1O 271570a_203496583355_100020706834 [1,0,0,1,0,0|2,0,0]=4 1162 B14R2.1128 COc1nc2ccccc2cc1O 271570a_203496583355_100009820890 [1,0,0,1,0,0|2,0,0]=4 1163 B14R2.1128 CSc1cc2ccccc2cc1O 62a_200000210301_100009817189 [1,0,0,1,0,0|1,1,0]=4 1164 B14R2.1128 Cc1cc2ccccc2cc1O[13CH3] 34a_100000091601_200025704644 [1,0,0,1,0,0|2,0,0]=4 1165 B14R2.1128 Cc1cc2ccccc2cc1O[13CH3] 7a_100000091601_200025704644 [1,0,0,1,0,0|2,0,0]=4 1166 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1Br 34a_100009817189_200025704644 [1,0,0,1,0,0|2,0,0]=4 1167 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1Br 7a_100009817189_200025704644 [1,0,0,1,0,0|2,0,0]=4 1168 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1N 34a_106744474703_200025704644 [1,0,0,1,0,0|2,0,0]=4 1169 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1N 7a_106744474703_200025704644 [1,0,0,1,0,0|2,0,0]=4 1170 B14R2.1128 [13CH3]Oc1cc2cccnc2cc1Br 34a_200010153759_200025704644 [1,0,0,1,0,0|2,0,0]=4 1171 B14R2.1128 [13CH3]Oc1cc2cccnc2cc1Br 7a_200010153759_200025704644 [1,0,0,1,0,0|2,0,0]=4 1172 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1O 62a_200025704644_100009817189 [1,0,0,1,0,0|1,1,0]=4 1173 B14R2.1416 COc1cc2c(cc1O)C(=O)CC2 271570a_203496583355_200010010916 [1,0,0,1,0,0|0,0,2]=4 1174 B14R2.2332 C=Cc1ccc2oc(=O)ccc2c1 271570a_100011290941_100009999946 [1,0,0,1,0,0|1,0,1]=4 1175 B14R2.2332 CNc1ccc2oc(=O)ccc2c1 7a_100000008519_200000210301 [1,0,0,1,0,0|1,0,0]=3 1176 B14R2.2332 COc1ccc2cc(ccc2c1)Br 34a_100000185455_200000210301 [1,0,0,1,0,0|2,0,0]=4 1177 B14R2.2332 COc1ccc2cc(ccc2c1)Br 7a_100000185455_200000210301 [1,0,0,1,0,0|2,0,0]=4 1178 B14R2.2332 COc1ccc2cc(ccc2c1)C 34a_100000074090_200000210301 [1,0,0,1,0,0|2,0,0]=4 1179 B14R2.2332 COc1ccc2cc(ccc2c1)C 7a_100000074090_200000210301 [1,0,0,1,0,0|2,0,0]=4 1180 B14R2.2332 COc1ccc2cc(ccc2c1)Cl 34a_100000074905_200000210301 [1,0,0,1,0,0|2,0,0]=4 1181 B14R2.2332 COc1ccc2cc(ccc2c1)Cl 7a_100000074905_200000210301 [1,0,0,1,0,0|2,0,0]=4 1182 B14R2.2332 COc1ccc2cc(ccc2c1)F 34a_100009847029_200000210301 [1,0,0,1,0,0|2,0,0]=4 1183 B14R2.2332 COc1ccc2cc(ccc2c1)F 7a_100009847029_200000210301 [1,0,0,1,0,0|2,0,0]=4 1184 B14R2.2332 COc1ccc2cc(ccc2c1)O 271570a_203496583355_100000170439 [1,0,0,1,0,0|1,0,0]=3 1185 B14R2.2332 COc1ccc2cc(ccc2n1)O 271570a_203496583355_100009817092 [1,0,0,1,0,0|2,0,0]=4 1186 B14R2.2332 COc1ccc2nc(ccc2c1)C 34a_100000037634_200000210301 [1,0,0,1,0,0|2,0,0]=4 1187 B14R2.2332 COc1ccc2nc(ccc2c1)C 7a_100000037634_200000210301 [1,0,0,1,0,0|2,0,0]=4 1188 B14R2.2332 COc1ccc2nc(ccc2c1)Cl 34a_100009849208_200000210301 [1,0,0,1,0,0|2,0,0]=4 1189 B14R2.2332 COc1ccc2nc(ccc2c1)Cl 7a_100009849208_200000210301 [1,0,0,1,0,0|2,0,0]=4 1190 B14R2.2332 COc1ccc2nc(ccc2c1)O 271570a_203496583355_100000743015 [1,0,0,1,0,0|1,0,0]=3 1191 B14R2.2332 COc1ccc2nc(cnc2c1)O 271570a_203496583355_100009843035 [1,0,0,1,0,0|2,0,0]=4 1192 B14R2.2332 COc1ccc2oc(=O)ccc2c1 34a_100000066265_200000210301 [1,0,0,1,0,0|0,0,0]=2 1193 B14R2.2332 COc1ccc2oc(=O)ccc2c1 7a_100000066265_200000210301 [1,0,0,1,0,0|0,0,0]=2 1194 B14R2.2332 CSc1ccc2[nH]c(=O)ccc2c1 62a_200000210301_100011934725 [1,0,0,1,0,0|1,1,0]=4 1195 B14R2.2332 CSc1ccc2cc(ccc2c1)O 62a_200000210301_100000185455 [1,0,0,1,0,0|1,1,0]=4 1196 B14R2.2332 CSc1ccc2oc(=O)ccc2c1 62a_200000210301_100009999946 [1,0,0,1,0,0|0,1,0]=3 1197 B14R2.2332 Cc1ccc2cc(ccc2c1)O[13CH3] 34a_100000074090_200025704644 [1,0,0,1,0,0|2,0,0]=4 1198 B14R2.2332 Cc1ccc2cc(ccc2c1)O[13CH3] 7a_100000074090_200025704644 [1,0,0,1,0,0|2,0,0]=4 1199 B14R2.2332 Cc1ccc2cc(ccc2n1)O[13CH3] 34a_100000037634_200025704644 [1,0,0,1,0,0|2,0,0]=4 1200 B14R2.2332 Cc1ccc2cc(ccc2n1)O[13CH3] 7a_100000037634_200025704644 [1,0,0,1,0,0|2,0,0]=4 1201 B14R2.2332 [13CH3]Nc1ccc2oc(=O)ccc2c1 7a_100000008519_200025704644 [1,0,0,1,0,0|1,0,0]=3 1202 B14R2.2332 [13CH3]Oc1ccc2cc(ccc2c1)Br 34a_100000185455_200025704644 [1,0,0,1,0,0|2,0,0]=4 1203 B14R2.2332 [13CH3]Oc1ccc2cc(ccc2c1)Br 7a_100000185455_200025704644 [1,0,0,1,0,0|2,0,0]=4 1204 B14R2.2332 [13CH3]Oc1ccc2cc(ccc2c1)Cl 34a_100000074905_200025704644 [1,0,0,1,0,0|2,0,0]=4 1205 B14R2.2332 [13CH3]Oc1ccc2cc(ccc2c1)Cl 7a_100000074905_200025704644 [1,0,0,1,0,0|2,0,0]=4 1206 B14R2.2332 [13CH3]Oc1ccc2cc(ccc2c1)F 34a_100009847029_200025704644 [1,0,0,1,0,0|2,0,0]=4 1207 B14R2.2332 [13CH3]Oc1ccc2cc(ccc2c1)F 7a_100009847029_200025704644 [1,0,0,1,0,0|2,0,0]=4 1208 B14R2.2332 [13CH3]Oc1ccc2nc(ccc2c1)Cl 34a_100009849208_200025704644 [1,0,0,1,0,0|2,0,0]=4 1209 B14R2.2332 [13CH3]Oc1ccc2nc(ccc2c1)Cl 7a_100009849208_200025704644 [1,0,0,1,0,0|2,0,0]=4 1210 B14R2.2332 [13CH3]Oc1ccc2oc(=O)ccc2c1 34a_100000066265_200025704644 [1,0,0,1,0,0|0,0,0]=2 1211 B14R2.2332 [13CH3]Oc1ccc2oc(=O)ccc2c1 7a_100000066265_200025704644 [1,0,0,1,0,0|0,0,0]=2 1212 B14R2.2332 [13CH3]Sc1ccc2[nH]c(=O)ccc2c1 62a_200025704644_100011934725 [1,0,0,1,0,0|1,1,0]=4 1213 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2c1)O 62a_200025704644_100000185455 [1,0,0,1,0,0|1,1,0]=4 1214 B14R2.2332 [13CH3]Sc1ccc2oc(=O)ccc2c1 62a_200025704644_100009999946 [1,0,0,1,0,0|0,1,0]=3 1215 B14R2.11684 CNc1cccc2c1cc(cc2)O 34a_100000034012_200000210301 [1,0,0,1,0,0|2,0,0]=4 1216 B14R2.11684 COc1cccc2c1cc(cc2)Br 34a_100010089991_200000210301 [1,0,0,1,0,0|2,0,0]=4 1217 B14R2.11684 COc1cccc2c1cc(cc2)Br 7a_100010089991_200000210301 [1,0,0,1,0,0|2,0,0]=4 1218 B14R2.11684 COc1cccc2c1cc(cc2)C 34a_100000040781_200000210301 [1,0,0,1,0,0|2,0,0]=4 1219 B14R2.11684 COc1cccc2c1cc(cc2)C 7a_100000040781_200000210301 [1,0,0,1,0,0|2,0,0]=4 1220 B14R2.11684 COc1cccc2c1cc(cc2)Cl 34a_100009840344_200000210301 [1,0,0,1,0,0|2,0,0]=4 1221 B14R2.11684 COc1cccc2c1cc(cc2)Cl 7a_100009840344_200000210301 [1,0,0,1,0,0|2,0,0]=4 1222 B14R2.11684 COc1cccc2c1cc(cc2)F 34a_100009881884_200000210301 [1,0,0,1,0,0|2,0,0]=4 1223 B14R2.11684 COc1cccc2c1cc(cc2)F 7a_100009881884_200000210301 [1,0,0,1,0,0|2,0,0]=4 1224 B14R2.11684 COc1cccc2c1cc(cc2)N 34a_100132313934_200000210301 [1,0,0,1,0,0|2,0,0]=4 1225 B14R2.11684 COc1cccc2c1cc(cc2)N 7a_100132313934_200000210301 [1,0,0,1,0,0|2,0,0]=4 1226 B14R2.11684 COc1cccc2c1nc(cc2)Br 34a_100010153751_200000210301 [1,0,0,1,0,0|2,0,0]=4 1227 B14R2.11684 COc1cccc2c1nc(cc2)Br 7a_100010153751_200000210301 [1,0,0,1,0,0|2,0,0]=4 1228 B14R2.11684 COc1cccc2c1nc(cc2)C 34a_100000184714_200000210301 [1,0,0,1,0,0|2,0,0]=4 1229 B14R2.11684 COc1cccc2c1nc(cc2)C 7a_100000184714_200000210301 [1,0,0,1,0,0|2,0,0]=4 1230 B14R2.11684 COc1cccc2c1nc(cc2)Cl 34a_100000013812_200000210301 [1,0,0,1,0,0|2,0,0]=4 1231 B14R2.11684 COc1cccc2c1nc(cc2)Cl 7a_100000013812_200000210301 [1,0,0,1,0,0|2,0,0]=4 1232 B14R2.11684 COc1cccc2c1nc(cc2)N 34a_100000032106_200000210301 [1,0,0,1,0,0|2,0,0]=4 1233 B14R2.11684 COc1cccc2c1nc(cc2)N 7a_100000032106_200000210301 [1,0,0,1,0,0|2,0,0]=4 1234 B14R2.11684 COc1cccc2c1nc(cc2)O 271570a_203496583355_200011787714 [1,0,0,1,0,0|1,0,0]=3 1235 B14R2.11684 COc1cccc2c1nc(cn2)O 271570a_203496583355_100010783442 [1,0,0,1,0,0|2,0,0]=4 1236 B14R2.11684 COc1cccc2c1nc(nc2)O 271570a_203496583355_200000095598 [1,0,0,1,0,0|2,0,0]=4 1237 B14R2.11684 COc1ccnc2c1cc(cc2)O 271570a_203496583355_100009816692 [1,0,0,1,0,0|2,0,0]=4 1238 B14R2.11684 COc1nccc2c1cc(cc2)O 271570a_203496583355_200011098638 [1,0,0,1,0,0|2,0,0]=4 1239 B14R2.11684 CSc1cccc2c1[nH]c(=O)cc2 62a_200000210301_100000688906 [1,0,0,1,0,0|1,1,0]=4 1240 B14R2.11684 CSc1cccc2c1cc(cc2)O 62a_200000210301_100010169565 [1,0,0,1,0,0|1,1,0]=4 1241 B14R2.11684 Cc1ccc2cccc(c2c1)O[13CH3] 34a_100000040781_200025704644 [1,0,0,1,0,0|2,0,0]=4 1242 B14R2.11684 Cc1ccc2cccc(c2c1)O[13CH3] 7a_100000040781_200025704644 [1,0,0,1,0,0|2,0,0]=4 1243 B14R2.11684 Cc1ccc2cccc(c2n1)O[13CH3] 34a_100000184714_200025704644 [1,0,0,1,0,0|2,0,0]=4 1244 B14R2.11684 Cc1ccc2cccc(c2n1)O[13CH3] 7a_100000184714_200025704644 [1,0,0,1,0,0|2,0,0]=4 1245 B14R2.11684 [13CH3]Nc1cccc2c1cc(cc2)O 34a_100000034012_200025704644 [1,0,0,1,0,0|2,0,0]=4 1246 B14R2.11684 [13CH3]Oc1cccc2c1cc(cc2)Br 34a_100010089991_200025704644 [1,0,0,1,0,0|2,0,0]=4 1247 B14R2.11684 [13CH3]Oc1cccc2c1cc(cc2)Br 7a_100010089991_200025704644 [1,0,0,1,0,0|2,0,0]=4 1248 B14R2.11684 [13CH3]Oc1cccc2c1cc(cc2)Cl 34a_100009840344_200025704644 [1,0,0,1,0,0|2,0,0]=4 1249 B14R2.11684 [13CH3]Oc1cccc2c1cc(cc2)Cl 7a_100009840344_200025704644 [1,0,0,1,0,0|2,0,0]=4 1250 B14R2.11684 [13CH3]Oc1cccc2c1cc(cc2)F 34a_100009881884_200025704644 [1,0,0,1,0,0|2,0,0]=4 1251 B14R2.11684 [13CH3]Oc1cccc2c1cc(cc2)F 7a_100009881884_200025704644 [1,0,0,1,0,0|2,0,0]=4 1252 B14R2.11684 [13CH3]Oc1cccc2c1cc(cc2)N 34a_100132313934_200025704644 [1,0,0,1,0,0|2,0,0]=4 1253 B14R2.11684 [13CH3]Oc1cccc2c1cc(cc2)N 7a_100132313934_200025704644 [1,0,0,1,0,0|2,0,0]=4 1254 B14R2.11684 [13CH3]Oc1cccc2c1nc(cc2)Br 34a_100010153751_200025704644 [1,0,0,1,0,0|2,0,0]=4 1255 B14R2.11684 [13CH3]Oc1cccc2c1nc(cc2)Br 7a_100010153751_200025704644 [1,0,0,1,0,0|2,0,0]=4 1256 B14R2.11684 [13CH3]Oc1cccc2c1nc(cc2)Cl 34a_100000013812_200025704644 [1,0,0,1,0,0|2,0,0]=4 1257 B14R2.11684 [13CH3]Oc1cccc2c1nc(cc2)Cl 7a_100000013812_200025704644 [1,0,0,1,0,0|2,0,0]=4 1258 B14R2.11684 [13CH3]Oc1cccc2c1nc(cc2)N 34a_100000032106_200025704644 [1,0,0,1,0,0|2,0,0]=4 1259 B14R2.11684 [13CH3]Oc1cccc2c1nc(cc2)N 7a_100000032106_200025704644 [1,0,0,1,0,0|2,0,0]=4 1260 B14R2.11684 [13CH3]Sc1cccc2c1[nH]c(=O)cc2 62a_200025704644_100000688906 [1,0,0,1,0,0|1,1,0]=4 1261 B14R2.11684 [13CH3]Sc1cccc2c1cc(cc2)O 62a_200025704644_100010169565 [1,0,0,1,0,0|1,1,0]=4 1262 B14R2.1008 CC(=Cc1ccc2c(c1)OCO2)C 271570a_100102525489_100000688060 [0,0,0,1,1,0|2,0,0]=4 1263 B14R2.1008 CC(=O)Cc1ccc2c(c1)OCO2 1458a_100000743733_200000210301 [0,0,0,1,1,0|1,0,1]=4 1264 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCO2 11a_100000209953_100015343762 [0,0,0,1,1,0|2,0,0]=4 1265 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCO2 1626a_100000209953_100015343762 [0,0,0,1,1,0|2,0,0]=4 1266 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCO2 22a_100000209953_100000070787 [0,0,0,1,1,0|2,0,0]=4 1267 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCO2 527a_100000209953_100103153847 [0,0,0,1,1,0|2,0,0]=4 1268 B14R2.1008 [13CH3]C(=O)Cc1ccc2c(c1)OCO2 1458a_100000743733_200025704644 [0,0,0,1,1,0|1,0,1]=4 1269 B16R2.2324 CCc1cc(ccc1O)c2ccc(o2)C 271570a_100000061910_100012338938 [0,0,0,1,0,1|2,0,0]=4 1270 B16R2.2324 COc1cc(ccc1Br)c2ccc(o2)C 271570a_100000061910_100012353699 [0,0,0,1,0,1|2,0,0]=4 1271 B16R2.2324 COc1cc(ccc1C)c2ccc(o2)C 271570a_100000061910_100011830276 [0,0,0,1,0,1|2,0,0]=4 1272 B16R2.2324 COc1cc(ccc1Cl)c2ccc(o2)C 271570a_100000061910_100011356853 [0,0,0,1,0,1|2,0,0]=4 1273 B16R2.2324 COc1cc(ccc1F)c2ccc(o2)C 271570a_100000061910_100011934186 [0,0,0,1,0,1|2,0,0]=4 1274 B16R2.2324 COc1cc(ccc1N)c2ccc(o2)C 271570a_100000061910_100011279103 [0,0,0,1,0,1|2,0,0]=4 1275 B16R2.2324 COc1cc(ccc1O)C2=CC(=O)CC2 271570a_100010737933_100000694246 [0,0,0,1,0,1|1,0,1]=4 1276 B16R2.2324 COc1cc(ccc1O)c2c[nH]c(n2)C 271570a_100000040328_100009814057 [0,0,0,1,0,1|2,0,0]=4 1277 B16R2.2324 COc1cc(ccc1O)c2cc(cs2)C 271570a_100000038307_100000694246 [0,0,0,1,0,1|2,0,0]=4 1278 B16R2.2324 COc1cc(ccc1O)c2cc(cs2)C 271570a_100000040328_100009876951 [0,0,0,1,0,1|2,0,0]=4 1279 B16R2.2324 COc1cc(ccc1O)c2ccc(o2)C 271570a_100000061910_100000694246 [0,0,0,1,0,1|1,0,0]=3 1280 B16R2.2324 COc1cc(ccc1O)c2ccc(s2)Br 271570a_100000040328_100010197418 [0,0,0,1,0,1|1,1,0]=4 1281 B16R2.2324 COc1cc(ccc1O)c2ccc(s2)C 271570a_100000040328_100000761539 [0,0,0,1,0,1|1,1,0]=4 1282 B16R2.2324 COc1cc(ccc1O)c2ccc(s2)C 271570a_100011934456_100000694246 [0,0,0,1,0,1|1,1,0]=4 1283 B16R2.2324 COc1cc(ccc1O)c2ccc(s2)Cl 271570a_100000708867_100000694246 [0,0,0,1,0,1|1,1,0]=4 1284 B16R2.2324 COc1cc(ccc1O)c2cnc(s2)C 271570a_100000040328_100000764884 [0,0,0,1,0,1|1,1,0]=4 1285 B16R2.2324 COc1cc(ccc1O)c2cnc(s2)C 271570a_100000696845_100000694246 [0,0,0,1,0,1|1,1,0]=4 1286 B16R2.2324 COc1cc(ccc1O)c2csc(c2)C 271570a_100000040328_100000759034 [0,0,0,1,0,1|2,0,0]=4 1287 B16R2.2324 COc1cc(ccc1O)c2csc(c2)C 271570a_100000699828_100000694246 [0,0,0,1,0,1|2,0,0]=4 1288 B16R2.2324 COc1cc(ccc1O)c2csc(n2)C 271570a_100000040328_100011934587 [0,0,0,1,0,1|2,0,0]=4 1289 B16R2.2324 COc1cc(ccc1O)c2csc(n2)N 271570a_100000040328_100011998049 [0,0,0,1,0,1|2,0,0]=4 1290 B16R2.2324 COc1cc(ccc1O)c2nc(c[nH]2)C 271570a_100000040328_100161115468 [0,0,0,1,0,1|2,0,0]=4 1291 B16R2.2324 COc1cc(ccc1O)c2nc(cs2)Br 271570a_100000040328_200016082925 [0,0,0,1,0,1|2,0,0]=4 1292 B16R2.2324 COc1cc(ccc1O)c2nc(cs2)C 271570a_100000040328_100011291629 [0,0,0,1,0,1|2,0,0]=4 1293 B16R2.2324 COc1cc(ccc1O)c2nc(cs2)N 271570a_100000040328_200015188442 [0,0,0,1,0,1|2,0,0]=4 1294 B16R2.2324 COc1cc(ccc1O)c2ncc(s2)C 271570a_100000040328_100000690809 [0,0,0,1,0,1|1,1,0]=4 1295 B16R2.2324 COc1cc(ccc1O)c2nnc(o2)C 271570a_100000040328_100000708914 [0,0,0,1,0,1|2,0,0]=4 1296 B16R2.2324 COc1cc(ccc1O)c2noc(n2)O 270196a_100000184589_100015183105 [0,0,0,1,0,1|2,0,0]=4 1297 B16R2.2324 COc1nc(ccc1O)c2ccc(o2)C 271570a_100000061910_100010893133 [0,0,0,1,0,1|2,0,0]=4 1298 B16R2.27160 O=C(O)CNCc1ccc2c(c1)OCO2 269956a_100016091260_100000189651 [0,0,0,1,0,1|0,0,2]=4 1299 B16R2.477 CC(=O)C=Cc1ccc2c(c1)OCCO2 1458a_100000179788_200000210301 [0,1,0,1,0,0|1,0,0]=3 1300 B16R2.477 CC(O)C=Cc1ccc2c(c1)OCCO2 271570a_200011019289_100000184379 [0,1,0,1,0,0|1,0,1]=4 1301 B16R2.477 [13CH3]C(=O)C=Cc1ccc2c(c1)OCCO2 1458a_100000179788_200025704644 [0,1,0,1,0,0|1,0,0]=3 1302 B16R2.6501 CC=Cc1cc2ccc(cc2cc1O)O 271570a_100016259895_100010179872 [0,1,0,1,0,0|2,0,0]=4 1303 B16R2.6501 CCSc1cc2ccc(cc2cc1O)O 62a_100000210202_100010179872 [0,1,0,1,0,0|1,1,0]=4 1304 B16R2.6501 Oc1ccc2cc(c(cc2c1)O)SCF 62a_100015361967_100010179872 [0,1,0,1,0,0|1,1,0]=4 1305 B16R2.23520 C=C(C)c1cc2ccc(cc2cc1O)O 271570a_100000694244_100010179872 [0,1,0,1,0,0|2,0,0]=4 1306 B16R2.3954 CC(=O)C=Cc1cc2c(cc1Br)OCO2 1458a_100016995997_200000210301 [0,1,0,1,0,0|1,0,0]=3 1307 B16R2.3954 CC(O)C=Cc1cc2c(cc1N)OCO2 271570a_200011019289_100012557033 [0,1,0,1,0,0|1,0,1]=4 1308 B16R2.3954 CC(O)C=Cc1cc2c(cc1O)OCO2 271570a_200011019289_100010290809 [0,1,0,1,0,0|1,0,1]=4 1309 B16R2.3954 [13CH3]C(=O)C=Cc1cc2c(cc1Br)OCO2 1458a_100016995997_200025704644 [0,1,0,1,0,0|1,0,0]=3 1310 B16R2.82843 CC(C)(O)C=Cc1ccc2c(c1)OCO2 271570a_200016258132_100000688060 [0,1,0,1,0,0|1,0,1]=4 1311 B16R2.11587 CC(=O)CC(=O)c1ccc2c(c1)OCO2 1458a_100000070787_100000181162 [0,1,0,1,0,0|1,0,1]=4 1312 B16R2.11587 NC(=O)CC(=O)c1ccc2c(c1)OCO2 1458a_100000210863_100000187820 [0,1,0,1,0,0|1,0,1]=4 1313 B16R2.11587 O=C([O-])CC(=O)c1ccc2c(c1)OCO2 1458a_100000210863_100020667443 [0,1,0,1,0,0|0,0,2]=4 1314 B16R2.41208 CNc1cc2c(cc(=O)oc2cc1C)C 7a_200000066935_200000210301 [0,1,0,1,0,0|2,0,0]=4 1315 B16R2.41208 Cc1cc2oc(=O)cc(c2cc1N[13CH3])C 7a_200000066935_200025704644 [0,1,0,1,0,0|2,0,0]=4 1316 B16R2.6257 NC(=O)C(=O)Nc1ccc2c(c1)OCO2 22a_100000209953_100011215815 [0,1,0,1,0,0|2,0,0]=4 1317 B16R2.1357 CCC(=O)C=Cc1ccc2c(c1)CCO2 1458a_100000241297_100000210202 [0,1,0,1,0,0|2,0,0]=4 1318 B16R2.1357 CCC(=O)C=Cc1ccc2c(c1)CCO2 6a_100011218456_100000211110 [0,1,0,1,0,0|2,0,0]=4 1319 B16R2.1357 CCC(=O)C=Cc1ccc2c(c1)OCO2 1458a_100000182195_100000210202 [0,1,0,1,0,0|1,0,0]=3 1320 B16R2.1357 CNC(=O)C=Cc1ccc2c(c1)CCO2 11a_106832991635_100000241297 [0,1,0,1,0,0|2,0,0]=4 1321 B16R2.1357 CNC(=O)C=Cc1ccc2c(c1)CCO2 1626a_100102657272_100000241297 [0,1,0,1,0,0|2,0,0]=4 1322 B16R2.1357 CNC(=O)C=Cc1ccc2c(c1)CCO2 240690a_100102657272_100000241297 [0,1,0,1,0,0|2,0,0]=4 1323 B16R2.1357 CNC(=O)C=Cc1ccc2c(c1)OCO2 11a_106832991635_100000182195 [0,1,0,1,0,0|1,0,0]=3 1324 B16R2.1357 CNC(=O)C=Cc1ccc2c(c1)OCO2 1626a_100102657272_100000182195 [0,1,0,1,0,0|1,0,0]=3 1325 B16R2.1357 COC(=O)CNc1ccc2c(c1)OCO2 2230a_100000209953_100000747449 [0,1,0,1,0,0|1,0,1]=4 1326 B16R2.1357 COC(=O)CNc1ccc2c(c1)OCO2 34a_100000209953_100000747449 [0,1,0,1,0,0|1,0,1]=4 1327 B16R2.1357 COC(=O)COc1ccc2c(c1)OCO2 34a_100000210298_100000747449 [0,1,0,1,0,0|1,0,1]=4 1328 B16R2.1357 O=C(C=Cc1ccc2c(c1)CCO2)CBr 6a_100011218456_100009888967 [0,1,0,1,0,0|2,0,0]=4 1329 B16R2.1357 O=C(C=Cc1ccc2c(c1)CCO2)CCl 6a_100011218456_100000086384 [0,1,0,1,0,0|2,0,0]=4 1330 B16R2.1357 O=C(C=Cc1ccc2c(c1)CCO2)CF 1458a_100000241297_100015361967 [0,1,0,1,0,0|2,0,0]=4 1331 B16R2.1357 O=C(C=Cc1ccc2c(c1)CCO2)CF 6a_100011218456_100000764096 [0,1,0,1,0,0|2,0,0]=4 1332 B16R2.1357 O=C(C=Cc1ccc2c(c1)OCO2)CF 1458a_100000182195_100015361967 [0,1,0,1,0,0|1,0,0]=3 1333 B16R2.1357 O=C(CO)NCc1ccc2c(c1)OCO2 240690a_100000210006_100000210174 [0,1,0,1,0,0|1,0,1]=4 1334 B16R2.1357 O=C(CO)NCc1ccc2c(c1)OCO2 527a_100000210006_100000210174 [0,1,0,1,0,0|1,0,1]=4 1335 B16R2.83537 CC(O)C=Cc1ccc2c(c1F)OCO2 271570a_200011019289_100010223184 [0,1,0,1,0,0|1,0,1]=4 1336 B16R2.83537 Cc1c(ccc2c1OCO2)C=CC(C)O 271570a_200011019289_100010335860 [0,1,0,1,0,0|1,0,1]=4 1337 B16R2.1461 COc1cc2ccc(=O)oc2cc1OC 7a_100000032626_200000210301 [0,1,0,1,0,0|0,0,0]=2 1338 B16R2.1461 COc1cc2ccc(=O)oc2cc1O[13CH3] 7a_100000032626_200025704644 [0,1,0,1,0,0|0,0,0]=2 1339 B16R2.1461 COc1cc2ncc(nc2cc1OC)O 271570a_203496583355_100000756249 [0,1,0,1,0,0|2,0,0]=4 1340 B12R1.19 CC(=Cc1ccc(c(c1)C)O)C 271570a_100102525489_100000186361 [1,0,0,0,1,0|2,0,0]=4 1341 B12R1.19 CC(=Cc1ccc(c(c1)O)O)C 271570a_100102525489_100009813601 [1,0,0,0,1,0|2,0,0]=4 1342 B12R1.19 CC(=O)Cc1ccc(c(c1)C)O 1458a_100000083968_200000210301 [1,0,0,0,1,0|1,0,1]=4 1343 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_200000210301 [1,0,0,0,1,0|1,0,1]=4 1344 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 271570a_203496583355_100010141077 [1,0,0,0,1,0|1,0,1]=4 1345 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 11a_100011218179_100015343762 [1,0,0,0,1,0|2,0,0]=4 1346 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 22a_100011218179_100000070787 [1,0,0,0,1,0|2,0,0]=4 1347 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 271570a_203496583355_100000155607 [1,0,0,0,1,0|2,0,0]=4 1348 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 527a_100011218179_100103153847 [1,0,0,0,1,0|2,0,0]=4 1349 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000070787 [1,0,0,0,1,0|2,0,0]=4 1350 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100103153847 [1,0,0,0,1,0|2,0,0]=4 1351 B12R1.19 Cc1cc(ccc1O)CC(=O)[13CH3] 1458a_100000083968_200025704644 [1,0,0,0,1,0|1,0,1]=4 1352 B12R1.19 Cc1cc(ccc1O)NC(=O)N 271570a_203496583355_100000238934 [1,0,0,0,1,0|2,0,0]=4 1353 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_200025704644 [1,0,0,0,1,0|1,0,1]=4 1354 B12R1.438 CC(=O)Nc1cccc(c1)O[13CH3] 34a_100000158604_200025704644 [1,0,0,0,1,0|2,0,0]=4 1355 B12R1.438 CC(=O)Nc1cccc(c1)O[13CH3] 7a_100000158604_200025704644 [1,0,0,0,1,0|2,0,0]=4 1356 B12R1.438 CC(=O)Oc1cccc(c1)O[13CH3] 7a_100011218754_200025704644 [1,0,0,0,1,0|2,0,0]=4 1357 B12R1.438 COc1cccc(c1)C=C(C)C 271570a_100102525489_100000170001 [1,0,0,0,1,0|2,0,0]=4 1358 B12R1.438 COc1cccc(c1)CC(=O)C 1458a_100000070787_100000211672 [1,0,0,0,1,0|1,0,1]=4 1359 B12R1.438 COc1cccc(c1)CC(=O)C 1458a_100000211281_200000210301 [1,0,0,0,1,0|1,0,1]=4 1360 B12R1.438 COc1cccc(c1)CC(=O)N 34a_200000747573_200000210301 [1,0,0,0,1,0|1,0,1]=4 1361 B12R1.438 COc1cccc(c1)CC(=O)N 7a_200000747573_200000210301 [1,0,0,0,1,0|1,0,1]=4 1362 B12R1.438 COc1cccc(c1)CC(=O)[13CH3] 1458a_100000211281_200025704644 [1,0,0,0,1,0|1,0,1]=4 1363 B12R1.438 COc1cccc(c1)NC(=O)C 11a_100000210024_100015343762 [1,0,0,0,1,0|2,0,0]=4 1364 B12R1.438 COc1cccc(c1)NC(=O)C 1626a_100000210024_100015343762 [1,0,0,0,1,0|2,0,0]=4 1365 B12R1.438 COc1cccc(c1)NC(=O)C 22a_100000210024_100000070787 [1,0,0,0,1,0|2,0,0]=4 1366 B12R1.438 COc1cccc(c1)NC(=O)C 34a_100000158604_200000210301 [1,0,0,0,1,0|2,0,0]=4 1367 B12R1.438 COc1cccc(c1)NC(=O)C 527a_100000210024_100103153847 [1,0,0,0,1,0|2,0,0]=4 1368 B12R1.438 COc1cccc(c1)NC(=O)C 7a_100000158604_200000210301 [1,0,0,0,1,0|2,0,0]=4 1369 B12R1.438 COc1cccc(c1)NC(=O)N 34a_100011219624_200000210301 [1,0,0,0,1,0|2,0,0]=4 1370 B12R1.438 COc1cccc(c1)NC(=O)N 7a_100011219624_200000210301 [1,0,0,0,1,0|2,0,0]=4 1371 B12R1.438 COc1cccc(c1)OC(=O)C 7a_100011218754_200000210301 [1,0,0,0,1,0|2,0,0]=4 1372 B12R1.438 [13CH3]Oc1cccc(c1)CC(=O)N 34a_200000747573_200025704644 [1,0,0,0,1,0|1,0,1]=4 1373 B12R1.438 [13CH3]Oc1cccc(c1)CC(=O)N 7a_200000747573_200025704644 [1,0,0,0,1,0|1,0,1]=4 1374 B12R1.438 [13CH3]Oc1cccc(c1)NC(=O)N 34a_100011219624_200025704644 [1,0,0,0,1,0|2,0,0]=4 1375 B12R1.438 [13CH3]Oc1cccc(c1)NC(=O)N 7a_100011219624_200025704644 [1,0,0,0,1,0|2,0,0]=4 1376 B12R1.56 C=C(C)c1ccc(c(c1)OC)O 271570a_100000694244_100000694246 [0,0,0,0,2,0|2,0,0]=4 1377 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])C 34a_100000084092_200025704644 [0,0,0,0,2,0|2,0,0]=4 1378 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])C 7a_100000084092_200025704644 [0,0,0,0,2,0|2,0,0]=4 1379 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])F 34a_100000117923_200025704644 [0,0,0,0,2,0|2,0,0]=4 1380 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])F 7a_100000117923_200025704644 [0,0,0,0,2,0|2,0,0]=4 1381 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])O 62a_100011772453_200025704644 [0,0,0,0,2,0|1,1,0]=4 1382 B12R1.56 COc1cc(ccc1Br)C(=O)C 1458a_100011934951_200000210301 [0,0,0,0,2,0|2,0,0]=4 1383 B12R1.56 COc1cc(ccc1Br)C(=O)N 34a_100012344895_200000210301 [0,0,0,0,2,0|2,0,0]=4 1384 B12R1.56 COc1cc(ccc1Br)C(=O)N 7a_100012344895_200000210301 [0,0,0,0,2,0|2,0,0]=4 1385 B12R1.56 COc1cc(ccc1Br)C(=O)[13CH3] 1458a_100011934951_200025704644 [0,0,0,0,2,0|2,0,0]=4 1386 B12R1.56 COc1cc(ccc1C)C(=O)C 1458a_100000212341_200000210301 [0,0,0,0,2,0|2,0,0]=4 1387 B12R1.56 COc1cc(ccc1C)C(=O)C 34a_100000084092_200000210301 [0,0,0,0,2,0|2,0,0]=4 1388 B12R1.56 COc1cc(ccc1C)C(=O)C 7a_100000084092_200000210301 [0,0,0,0,2,0|2,0,0]=4 1389 B12R1.56 COc1cc(ccc1C)C(=O)[13CH3] 1458a_100000212341_200025704644 [0,0,0,0,2,0|2,0,0]=4 1390 B12R1.56 COc1cc(ccc1Cl)C(=O)C 1458a_100000181799_200000210301 [0,0,0,0,2,0|2,0,0]=4 1391 B12R1.56 COc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000181799_200025704644 [0,0,0,0,2,0|2,0,0]=4 1392 B12R1.56 COc1cc(ccc1F)C(=O)C 1458a_100000757635_200000210301 [0,0,0,0,2,0|2,0,0]=4 1393 B12R1.56 COc1cc(ccc1F)C(=O)C 34a_100000117923_200000210301 [0,0,0,0,2,0|2,0,0]=4 1394 B12R1.56 COc1cc(ccc1F)C(=O)C 7a_100000117923_200000210301 [0,0,0,0,2,0|2,0,0]=4 1395 B12R1.56 COc1cc(ccc1F)C(=O)[13CH3] 1458a_100000757635_200025704644 [0,0,0,0,2,0|2,0,0]=4 1396 B12R1.56 COc1cc(ccc1I)C(=O)C 1458a_100012356290_200000210301 [0,0,0,0,2,0|2,0,0]=4 1397 B12R1.56 COc1cc(ccc1I)C(=O)[13CH3] 1458a_100012356290_200025704644 [0,0,0,0,2,0|2,0,0]=4 1398 B12R1.56 COc1cc(ccc1N)C(=O)N 34a_100011850428_200000210301 [0,0,0,0,2,0|2,0,0]=4 1399 B12R1.56 COc1cc(ccc1N)C(=O)N 7a_100011850428_200000210301 [0,0,0,0,2,0|2,0,0]=4 1400 B12R1.56 COc1cc(ccc1O)B(O)O 271570a_203496583355_100012355544 [0,0,0,0,2,0|1,0,1]=4 1401 B12R1.56 COc1cc(ccc1O)C(=O)C 1458a_100000687070_200000210301 [0,0,0,0,2,0|1,0,0]=3 1402 B12R1.56 COc1cc(ccc1O)C(=O)C 271570a_203496583355_100010110075 [0,0,0,0,2,0|1,0,0]=3 1403 B12R1.56 COc1cc(ccc1O)C(=O)N 271570a_203496583355_100009817049 [0,0,0,0,2,0|1,0,0]=3 1404 B12R1.56 COc1cc(ccc1O)C(=O)[13CH3] 1458a_100000687070_200025704644 [0,0,0,0,2,0|1,0,0]=3 1405 B12R1.56 CSc1cc(ccc1O)C(=O)C 62a_100011772453_200000210301 [0,0,0,0,2,0|1,1,0]=4 1406 B12R1.56 [13CH3]Oc1cc(ccc1Br)C(=O)N 34a_100012344895_200025704644 [0,0,0,0,2,0|2,0,0]=4 1407 B12R1.56 [13CH3]Oc1cc(ccc1Br)C(=O)N 7a_100012344895_200025704644 [0,0,0,0,2,0|2,0,0]=4 1408 B12R1.56 [13CH3]Oc1cc(ccc1N)C(=O)N 34a_100011850428_200025704644 [0,0,0,0,2,0|2,0,0]=4 1409 B12R1.56 [13CH3]Oc1cc(ccc1N)C(=O)N 7a_100011850428_200025704644 [0,0,0,0,2,0|2,0,0]=4 1410 B14R1.76 COc1cccc(c1)C=NNC(=O)C 4a_100000189765_100000170238 [1,0,0,0,0,1|2,0,0]=4 1411 B14R1.76 COc1cccc(c1)CNCC(=O)O 269956a_100016091260_100000211672 [1,0,0,0,0,1|0,0,2]=4 1412 B14R1.118 COc1c(cccc1C=CC(=O)C)F 1458a_100102526134_200000210301 [0,0,0,0,1,1|2,0,0]=4 1413 B14R1.118 COc1c(cccc1C=CC(=O)[13CH3])F 1458a_100102526134_200025704644 [0,0,0,0,1,1|2,0,0]=4 1414 B14R1.118 COc1c(cccc1C=CC(C)O)O 271570a_200011019289_100010234590 [0,0,0,0,1,1|1,0,1]=4 1415 B14R1.118 COc1c(ccnc1C=CC(C)O)O 271570a_200011019289_100000104430 [0,0,0,0,1,1|1,0,1]=4 1416 B14R1.1600 COc1cc(ccc1C=CC(C)O)O 271570a_200011019289_100011827694 [0,0,0,0,1,1|1,0,1]=4 1417 B16R1.4707 CCc1cc(ccc1O)C=CCOC(=O)C 271570a_200000047263_100012338938 [0,0,0,0,0,2|2,0,0]=4 1418 B16R1.4707 COc1cc(ccc1Br)C=CCOC(=O)C 271570a_200000047263_100012353699 [0,0,0,0,0,2|2,0,0]=4 1419 B16R1.4707 COc1cc(ccc1C)C=CCOC(=O)C 271570a_200000047263_100011830276 [0,0,0,0,0,2|2,0,0]=4 1420 B16R1.4707 COc1cc(ccc1Cl)C=CCOC(=O)C 271570a_200000047263_100011356853 [0,0,0,0,0,2|2,0,0]=4 1421 B16R1.4707 COc1cc(ccc1F)C=CCOC(=O)C 271570a_200000047263_100011934186 [0,0,0,0,0,2|2,0,0]=4 1422 B16R1.4707 COc1cc(ccc1N)C=CCOC(=O)C 271570a_200000047263_100011279103 [0,0,0,0,0,2|2,0,0]=4 1423 B16R1.4707 COc1cc(ccc1O)C=CCOC(=O)C 271570a_200000047263_100000694246 [0,0,0,0,0,2|1,0,0]=3 1424 B16R1.4707 COc1cc(ccc1O)CCNCC(=O)O 269956a_100016091260_100010741665 [0,0,0,0,0,2|0,0,2]=4 1425 B16R1.4707 COc1cc(ccc1O)NC/C=C/B(O)O 34a_100000726020_100016262062 [0,0,0,0,0,2|1,0,1]=4 1426 B16R1.4707 COc1cc(ccc1O)SC/C=C/B(O)O 62a_100016262062_100000694246 [0,0,0,0,0,2|1,0,1]=4 1427 B16R1.4707 COc1nc(ccc1O)C=CCOC(=O)C 271570a_200000047263_100010893133 [0,0,0,0,0,2|2,0,0]=4