0 B19R1.5221 CCC(C)CNC(=O)C=Cc1ccc(c(c1)OC)Br 11a_100020588543_100016267305 [0,0,0,0,0,0|4,0,0]=4 1 B19R1.5221 CCC(C)CNC(=O)C=Cc1ccc(c(c1)OC)Br 1626a_100020588543_100016267305 [0,0,0,0,0,0|4,0,0]=4 2 B19R1.5221 CCC(C)CNC(=O)C=Cc1ccc(c(c1)OC)Br 240690a_100020588543_100016267305 [0,0,0,0,0,0|4,0,0]=4 3 B19R1.5221 CCC(O)CCC(=O)NCc1ccc(c(c1)OC)O 240690a_100000185554_203496584001 [0,0,0,0,0,0|3,0,1]=4 4 B19R1.5221 CCC(O)CNC(=O)C=Cc1ccc(c(c1)OC)Br 11a_100011218483_100016267305 [0,0,0,0,0,0|3,0,0]=3 5 B19R1.5221 CCC(O)CNC(=O)C=Cc1ccc(c(c1)OC)Br 240690a_100011218483_100016267305 [0,0,0,0,0,0|3,0,0]=3 6 B19R1.5221 CCC(O)CNC(=O)CCc1ccc(c(c1)OC)O 240690a_100011218483_100011216321 [0,0,0,0,0,0|2,0,2]=4 7 B19R1.5221 CCC(O)CNC(=O)NCc1ccc(c(c1)OC)O 2708a_100000185554_100011218483 [0,0,0,0,0,0|3,0,1]=4 8 B19R1.5221 CCC(O)CNC(=O)NCc1ccc(c(c1)OC)O 273464a_100000185554_100011218483 [0,0,0,0,0,0|3,0,1]=4 9 B19R1.5221 CCC(O)CNC(=O)NCc1ccc(c(c1)OC)O 273464a_100011218483_100000185554 [0,0,0,0,0,0|3,0,1]=4 10 B19R1.5221 CCC(O)CNC(=O)NCc1ccc(c(c1)OC)O 512a_100011218483_100000185554 [0,0,0,0,0,0|3,0,1]=4 11 B19R1.5221 CCc1cc(ccc1O)SCC(=O)NCC(O)CO 62a_200012027429_100012338938 [0,0,0,0,0,0|3,0,1]=4 12 B19R1.5221 COc1cc(ccc1Br)C=CC(=O)NCC(C)CO 240690a_100000744482_100016267305 [0,0,0,0,0,0|3,0,0]=3 13 B19R1.5221 COc1cc(ccc1Br)C=CC(=O)NC[C@@H](F)CO 240690a_100015665980_100016267305 [0,0,0,0,0,0|3,0,0]=3 14 B19R1.5221 COc1cc(ccc1Br)C=CC(=O)NC[C@H](O)CO 240690a_100020644852_100016267305 [0,0,0,0,0,0|2,0,0]=2 15 B19R1.5221 COc1cc(ccc1Br)NCC(=O)NCC(O)CO 2230a_100000765947_200012027429 [0,0,0,0,0,0|3,0,1]=4 16 B19R1.5221 COc1cc(ccc1Br)NCC(=O)NCC(O)CO 34a_100000765947_200012027429 [0,0,0,0,0,0|3,0,1]=4 17 B19R1.5221 COc1cc(ccc1Br)OCC(=O)NCC(O)CO 34a_100011827694_200012027429 [0,0,0,0,0,0|3,0,1]=4 18 B19R1.5221 COc1cc(ccc1Br)OCC(=O)NCC(O)CO 7a_100011827694_200012027429 [0,0,0,0,0,0|3,0,1]=4 19 B19R1.5221 COc1cc(ccc1Br)SCC(=O)NCC(O)CO 62a_100012353699_200012027429 [0,0,0,0,0,0|3,0,1]=4 20 B19R1.5221 COc1cc(ccc1Br)SCC(=O)NCC(O)CO 62a_200012027429_100012353699 [0,0,0,0,0,0|3,0,1]=4 21 B19R1.5221 COc1cc(ccc1C)CCC(=O)NC[C@H](O)CO 240690a_100020644852_200000066385 [0,0,0,0,0,0|2,0,2]=4 22 B19R1.5221 COc1cc(ccc1C)CCC(=O)NC[C@H](O)CO 527a_100020644852_200000066385 [0,0,0,0,0,0|2,0,2]=4 23 B19R1.5221 COc1cc(ccc1C)NCC(=O)NCC(O)CO 2230a_100011279678_200012027429 [0,0,0,0,0,0|3,0,1]=4 24 B19R1.5221 COc1cc(ccc1C)NCC(=O)NCC(O)CO 34a_100011279678_200012027429 [0,0,0,0,0,0|3,0,1]=4 25 B19R1.5221 COc1cc(ccc1C)OCC(=O)NCC(O)CO 34a_100009865632_200012027429 [0,0,0,0,0,0|3,0,1]=4 26 B19R1.5221 COc1cc(ccc1C)OCC(=O)NCC(O)CO 7a_100009865632_200012027429 [0,0,0,0,0,0|3,0,1]=4 27 B19R1.5221 COc1cc(ccc1C)SCC(=O)NCC(O)CO 62a_100011830276_200012027429 [0,0,0,0,0,0|3,0,1]=4 28 B19R1.5221 COc1cc(ccc1C)SCC(=O)NCC(O)CO 62a_200012027429_100011830276 [0,0,0,0,0,0|3,0,1]=4 29 B19R1.5221 COc1cc(ccc1Cl)CNC(=O)NC[C@H](O)CO 2708a_100015204853_100020644852 [0,0,0,0,0,0|3,0,1]=4 30 B19R1.5221 COc1cc(ccc1Cl)CNC(=O)NC[C@H](O)CO 273464a_100015204853_100020644852 [0,0,0,0,0,0|3,0,1]=4 31 B19R1.5221 COc1cc(ccc1Cl)CNC(=O)NC[C@H](O)CO 273464a_100020644852_100015204853 [0,0,0,0,0,0|3,0,1]=4 32 B19R1.5221 COc1cc(ccc1Cl)NCC(=O)NCC(O)CO 2230a_100000742311_200012027429 [0,0,0,0,0,0|3,0,1]=4 33 B19R1.5221 COc1cc(ccc1Cl)NCC(=O)NCC(O)CO 34a_100000742311_200012027429 [0,0,0,0,0,0|3,0,1]=4 34 B19R1.5221 COc1cc(ccc1Cl)OCC(=O)NCC(O)CO 34a_100012186310_200012027429 [0,0,0,0,0,0|3,0,1]=4 35 B19R1.5221 COc1cc(ccc1Cl)OCC(=O)NCC(O)CO 7a_100012186310_200012027429 [0,0,0,0,0,0|3,0,1]=4 36 B19R1.5221 COc1cc(ccc1Cl)SCC(=O)NCC(O)CO 62a_100011356853_200012027429 [0,0,0,0,0,0|3,0,1]=4 37 B19R1.5221 COc1cc(ccc1Cl)SCC(=O)NCC(O)CO 62a_200012027429_100011356853 [0,0,0,0,0,0|3,0,1]=4 38 B19R1.5221 COc1cc(ccc1F)CCC(=O)NC[C@H](O)CO 240690a_100020644852_100009849056 [0,0,0,0,0,0|2,0,2]=4 39 B19R1.5221 COc1cc(ccc1F)CCC(=O)NC[C@H](O)CO 527a_100020644852_100009849056 [0,0,0,0,0,0|2,0,2]=4 40 B19R1.5221 COc1cc(ccc1F)CNC(=O)NC[C@H](O)CO 2708a_100020626639_100020644852 [0,0,0,0,0,0|3,0,1]=4 41 B19R1.5221 COc1cc(ccc1F)CNC(=O)NC[C@H](O)CO 273464a_100020626639_100020644852 [0,0,0,0,0,0|3,0,1]=4 42 B19R1.5221 COc1cc(ccc1F)CNC(=O)NC[C@H](O)CO 273464a_100020644852_100020626639 [0,0,0,0,0,0|3,0,1]=4 43 B19R1.5221 COc1cc(ccc1F)NCC(=O)NCC(O)CO 2230a_100000701188_200012027429 [0,0,0,0,0,0|3,0,1]=4 44 B19R1.5221 COc1cc(ccc1F)NCC(=O)NCC(O)CO 34a_100000701188_200012027429 [0,0,0,0,0,0|3,0,1]=4 45 B19R1.5221 COc1cc(ccc1F)NNC(=O)NC[C@H](O)CO 273464a_100020644852_102515433066 [0,0,0,0,0,0|4,0,0]=4 46 B19R1.5221 COc1cc(ccc1F)OCC(=O)NCC(O)CO 34a_100012001760_200012027429 [0,0,0,0,0,0|3,0,1]=4 47 B19R1.5221 COc1cc(ccc1F)OCC(=O)NCC(O)CO 7a_100012001760_200012027429 [0,0,0,0,0,0|3,0,1]=4 48 B19R1.5221 COc1cc(ccc1F)SCC(=O)NCC(O)CO 62a_100011934186_200012027429 [0,0,0,0,0,0|3,0,1]=4 49 B19R1.5221 COc1cc(ccc1F)SCC(=O)NCC(O)CO 62a_200012027429_100011934186 [0,0,0,0,0,0|3,0,1]=4 50 B19R1.5221 COc1cc(ccc1I)NCC(=O)NCC(O)CO 34a_100000746945_200012027429 [0,0,0,0,0,0|3,0,1]=4 51 B19R1.5221 COc1cc(ccc1N)OCC(=O)NCC(O)CO 34a_100015326901_200012027429 [0,0,0,0,0,0|3,0,1]=4 52 B19R1.5221 COc1cc(ccc1N)OCC(=O)NCC(O)CO 7a_100015326901_200012027429 [0,0,0,0,0,0|3,0,1]=4 53 B19R1.5221 COc1cc(ccc1N)SCC(=O)NCC(O)CO 62a_100011279103_200012027429 [0,0,0,0,0,0|3,0,1]=4 54 B19R1.5221 COc1cc(ccc1N)SCC(=O)NCC(O)CO 62a_200012027429_100015196925 [0,0,0,0,0,0|3,0,1]=4 55 B19R1.5221 COc1cc(ccc1O)CCC(=O)NCC(C)CO 240690a_100000744482_100011216321 [0,0,0,0,0,0|2,0,2]=4 56 B19R1.5221 COc1cc(ccc1O)CCC(=O)NC[C@@H](F)CO 240690a_100015665980_100011216321 [0,0,0,0,0,0|2,0,2]=4 57 B19R1.5221 COc1cc(ccc1O)CCC(=O)NC[C@H](O)CO 240690a_100020644852_100011216321 [0,0,0,0,0,0|1,0,2]=3 58 B19R1.5221 COc1cc(ccc1O)CNC(=O)NCC(C)CO 2708a_100000185554_100000744482 [0,0,0,0,0,0|3,0,1]=4 59 B19R1.5221 COc1cc(ccc1O)CNC(=O)NCC(C)CO 273464a_100000185554_100000744482 [0,0,0,0,0,0|3,0,1]=4 60 B19R1.5221 COc1cc(ccc1O)CNC(=O)NCC(C)CO 273464a_100000744482_100000185554 [0,0,0,0,0,0|3,0,1]=4 61 B19R1.5221 COc1cc(ccc1O)CNC(=O)NCC(C)CO 512a_100000744482_100000185554 [0,0,0,0,0,0|3,0,1]=4 62 B19R1.5221 COc1cc(ccc1O)CNC(=O)NC[C@@H](F)CO 2708a_100000185554_100015665980 [0,0,0,0,0,0|3,0,1]=4 63 B19R1.5221 COc1cc(ccc1O)CNC(=O)NC[C@@H](F)CO 273464a_100000185554_100015665980 [0,0,0,0,0,0|3,0,1]=4 64 B19R1.5221 COc1cc(ccc1O)CNC(=O)NC[C@@H](F)CO 273464a_100015665980_100000185554 [0,0,0,0,0,0|3,0,1]=4 65 B19R1.5221 COc1cc(ccc1O)CNC(=O)NC[C@@H](F)CO 512a_100015665980_100000185554 [0,0,0,0,0,0|3,0,1]=4 66 B19R1.5221 COc1cc(ccc1O)CNC(=O)NC[C@H](O)CO 2708a_100000185554_100020644852 [0,0,0,0,0,0|2,0,1]=3 67 B19R1.5221 COc1cc(ccc1O)CNC(=O)NC[C@H](O)CO 273464a_100000185554_100020644852 [0,0,0,0,0,0|2,0,1]=3 68 B19R1.5221 COc1cc(ccc1O)CNC(=O)NC[C@H](O)CO 273464a_100020644852_100000185554 [0,0,0,0,0,0|2,0,1]=3 69 B19R1.5221 COc1cc(ccc1O)NCC(=O)NCC(O)CO 34a_100000726020_200012027429 [0,0,0,0,0,0|2,0,1]=3 70 B19R1.5221 COc1cc(ccc1O)SCC(=O)NCC(O)CO 62a_200012027429_100000694246 [0,0,0,0,0,0|2,0,1]=3 71 B19R1.5221 COc1nc(ccc1O)SCC(=O)NCC(O)CO 62a_200012027429_100010893133 [0,0,0,0,0,0|3,0,1]=4 72 B18R1.2733 C#CCCCC(=O)C=Cc1ccc(c(c1)OC)O 1458a_100000182119_100000731252 [1,0,0,0,0,0|2,0,1]=4 73 B18R1.2733 C=CCCCC(=O)C=Cc1ccc(c(c1)OC)O 1458a_100000182119_100000757094 [1,0,0,0,0,0|2,0,1]=4 74 B18R1.2733 CCCCCC(=O)C=Cc1ccc(c(c1)OC)Br 1458a_100016267305_100000210326 [1,0,0,0,0,0|3,0,0]=4 75 B18R1.2733 CCCCCC(=O)C=Cc1ccc(c(c1)OC)C 6a_100000719150_100011215151 [1,0,0,0,0,0|3,0,0]=4 76 B18R1.2733 CCCCCC(=O)C=Cc1ccc(c(c1)OC)Cl 6a_100011998524_100011215151 [1,0,0,0,0,0|3,0,0]=4 77 B18R1.2733 CCCCCC(=O)C=Cc1ccc(c(c1)OC)F 6a_100000692873_100011215151 [1,0,0,0,0,0|3,0,0]=4 78 B18R1.2733 CCCCCC(=O)C=Cc1ccc(c(c1)OC)O 1458a_100000182119_100000210326 [1,0,0,0,0,0|2,0,0]=3 79 B18R1.2733 CCCCNC(=O)C=Cc1ccc(c(c1)OC)Br 11a_100000102301_100016267305 [1,0,0,0,0,0|3,0,0]=4 80 B18R1.2733 CCCCNC(=O)C=Cc1ccc(c(c1)OC)Br 1626a_100000102301_100016267305 [1,0,0,0,0,0|3,0,0]=4 81 B18R1.2733 CCCCNC(=O)C=Cc1ccc(c(c1)OC)Br 240690a_100000102301_100016267305 [1,0,0,0,0,0|3,0,0]=4 82 B18R1.2733 CCCCOC(=O)CNc1ccc(c(c1)OC)O 34a_100000726020_100000211628 [1,0,0,0,0,0|2,0,1]=4 83 B18R1.2733 CCCCOC(=O)CSc1ccc(c(c1)OC)O 62a_100000211628_100000694246 [1,0,0,0,0,0|2,0,1]=4 84 B18R1.2733 CCOCCC(=O)C=Cc1ccc(c(c1)OC)O 1458a_100000182119_100011215890 [1,0,0,0,0,0|3,0,0]=4 85 B18R1.2733 CCSCCC(=O)C=Cc1ccc(c(c1)OC)O 1458a_100000182119_100000757381 [1,0,0,0,0,0|3,0,0]=4 86 B18R1.2733 COCCCC(=O)C=Cc1ccc(c(c1)OC)O 1458a_100000182119_100000740836 [1,0,0,0,0,0|3,0,0]=4 87 B18R1.2733 COc1cc(ccc1Br)C=CC(=O)CCCCF 1458a_100016267305_100000729493 [1,0,0,0,0,0|3,0,0]=4 88 B18R1.2733 COc1cc(ccc1Br)C=CC(=O)CCCCO 1458a_100016267305_100000210776 [1,0,0,0,0,0|2,0,0]=3 89 B18R1.2733 COc1cc(ccc1Br)C=CC(=O)NCCCF 11a_100015189416_100016267305 [1,0,0,0,0,0|3,0,0]=4 90 B18R1.2733 COc1cc(ccc1Br)C=CC(=O)NCCCF 1626a_100015189416_100016267305 [1,0,0,0,0,0|3,0,0]=4 91 B18R1.2733 COc1cc(ccc1Br)C=CC(=O)NCCCF 240690a_100015189416_100016267305 [1,0,0,0,0,0|3,0,0]=4 92 B18R1.2733 COc1cc(ccc1Br)C=CC(=O)NCCCO 240690a_100000182051_100016267305 [1,0,0,0,0,0|2,0,0]=3 93 B18R1.2733 COc1cc(ccc1Br)C=CC(=O)NNCCO 22a_100000210001_100016267305 [1,0,0,0,0,0|3,0,0]=4 94 B18R1.2733 COc1cc(ccc1C)C=CC(=O)CCCCBr 6a_100000719150_100009817362 [1,0,0,0,0,0|3,0,0]=4 95 B18R1.2733 COc1cc(ccc1C)C=CC(=O)CCCCCl 6a_100000719150_100000735457 [1,0,0,0,0,0|3,0,0]=4 96 B18R1.2733 COc1cc(ccc1Cl)C=CC(=O)CCCCBr 6a_100011998524_100009817362 [1,0,0,0,0,0|3,0,0]=4 97 B18R1.2733 COc1cc(ccc1Cl)C=CC(=O)CCCCCl 6a_100011998524_100000735457 [1,0,0,0,0,0|3,0,0]=4 98 B18R1.2733 COc1cc(ccc1F)C=CC(=O)CCCCBr 6a_100000692873_100009817362 [1,0,0,0,0,0|3,0,0]=4 99 B18R1.2733 COc1cc(ccc1F)C=CC(=O)CCCCCl 6a_100000692873_100000735457 [1,0,0,0,0,0|3,0,0]=4 100 B18R1.2733 COc1cc(ccc1O)C=CC(=NNCCO)C 4a_100000210001_100102526088 [1,0,0,0,0,0|3,0,0]=4 101 B18R1.2733 COc1cc(ccc1O)C=CC(=O)CC#CCO 1458a_100000182119_200000047223 [1,0,0,0,0,0|1,0,2]=4 102 B18R1.2733 COc1cc(ccc1O)C=CC(=O)CCCC#N 1458a_100000182119_100000211468 [1,0,0,0,0,0|2,0,1]=4 103 B18R1.2733 COc1cc(ccc1O)C=CC(=O)CCCCF 1458a_100000182119_100000729493 [1,0,0,0,0,0|2,0,0]=3 104 B18R1.2733 COc1cc(ccc1O)C=CC(=O)CCCCO 1458a_100000182119_100000210776 [1,0,0,0,0,0|1,0,0]=2 105 B18R1.2733 COc1cc(ccc1O)CCC(=O)CCCCO 1458a_100000695505_100010741665 [1,0,0,0,0,0|1,0,2]=4 106 B18R1.2733 COc1cc(ccc1O)CCC(=O)CCCCO 1458a_100011216321_100000210776 [1,0,0,0,0,0|1,0,2]=4 107 B18R1.2733 COc1cc(ccc1O)CCC(=O)NCCCO 240690a_100000182051_100011216321 [1,0,0,0,0,0|1,0,2]=4 108 B18R1.2733 COc1cc(ccc1O)CNC(=O)NCCCO 2708a_100000185554_100000182051 [1,0,0,0,0,0|2,0,1]=4 109 B18R1.2733 COc1cc(ccc1O)CNC(=O)NCCCO 273464a_100000182051_100000185554 [1,0,0,0,0,0|2,0,1]=4 110 B18R1.2733 COc1cc(ccc1O)CNC(=O)NCCCO 273464a_100000185554_100000182051 [1,0,0,0,0,0|2,0,1]=4 111 B18R1.5536 C=C(C)CCC(=O)C=Cc1ccc(c(c1)OC)O 1458a_100000182119_100000730704 [1,0,0,0,0,0|2,0,1]=4 112 B18R1.5536 COc1cc(ccc1Br)C=CC(=O)CCC(C)C 1458a_100016267305_100000210312 [1,0,0,0,0,0|3,0,0]=4 113 B18R1.5536 COc1cc(ccc1Br)C=CC(=O)CCC(C)O 1458a_100016267305_100012276601 [1,0,0,0,0,0|2,0,0]=3 114 B18R1.5536 COc1cc(ccc1Br)C=CC(=O)NCC(C)C 11a_100000210953_100016267305 [1,0,0,0,0,0|3,0,0]=4 115 B18R1.5536 COc1cc(ccc1Br)C=CC(=O)NCC(C)C 1626a_100000210953_100016267305 [1,0,0,0,0,0|3,0,0]=4 116 B18R1.5536 COc1cc(ccc1Br)C=CC(=O)NCC(C)C 240690a_100000210953_100016267305 [1,0,0,0,0,0|3,0,0]=4 117 B18R1.5536 COc1cc(ccc1Br)C=CC(=O)NCC(C)O 11a_100000210904_100016267305 [1,0,0,0,0,0|2,0,0]=3 118 B18R1.5536 COc1cc(ccc1Br)C=CC(=O)NCC(C)O 240690a_100000210904_100016267305 [1,0,0,0,0,0|2,0,0]=3 119 B18R1.5536 COc1cc(ccc1C)C=CC(=O)CCC(C)C 6a_100000719150_100000210476 [1,0,0,0,0,0|3,0,0]=4 120 B18R1.5536 COc1cc(ccc1Cl)C=CC(=O)CCC(C)C 6a_100011998524_100000210476 [1,0,0,0,0,0|3,0,0]=4 121 B18R1.5536 COc1cc(ccc1F)C=CC(=O)CCC(C)C 6a_100000692873_100000210476 [1,0,0,0,0,0|3,0,0]=4 122 B18R1.5536 COc1cc(ccc1O)C=CC(=O)CCC(C)C 1458a_100000182119_100000210312 [1,0,0,0,0,0|2,0,0]=3 123 B18R1.5536 COc1cc(ccc1O)C=CC(=O)CCC(C)O 1458a_100000182119_100012276601 [1,0,0,0,0,0|1,0,0]=2 124 B18R1.5536 COc1cc(ccc1O)CCC(=O)CCC(C)O 1458a_100011216321_100012276601 [1,0,0,0,0,0|1,0,2]=4 125 B18R1.5536 COc1cc(ccc1O)CCC(=O)NCC(C)O 240690a_100000210904_100011216321 [1,0,0,0,0,0|1,0,2]=4 126 B18R1.5536 COc1cc(ccc1O)CNC(=O)NCC(C)O 2708a_100000185554_100000210904 [1,0,0,0,0,0|2,0,1]=4 127 B18R1.5536 COc1cc(ccc1O)CNC(=O)NCC(C)O 273464a_100000185554_100000210904 [1,0,0,0,0,0|2,0,1]=4 128 B18R1.5536 COc1cc(ccc1O)CNC(=O)NCC(C)O 273464a_100000210904_100000185554 [1,0,0,0,0,0|2,0,1]=4 129 B18R1.5536 COc1cc(ccc1O)CNC(=O)NCC(C)O 512a_100000210904_100000185554 [1,0,0,0,0,0|2,0,1]=4 130 B18R1.37863 CC(CO)CNC(=O)C=Cc1ccc(c(c1)Br)O 240690a_100000744482_200103079279 [1,0,0,0,0,0|3,0,0]=4 131 B18R1.37863 CC(CO)CNC(=O)C=Cc1ccc(c(c1)Cl)O 240690a_100000744482_200103117615 [1,0,0,0,0,0|3,0,0]=4 132 B18R1.37863 CC(CO)CNC(=O)C=Cc1ccc(c(c1)O)O 240690a_100000744482_100011195073 [1,0,0,0,0,0|2,0,0]=3 133 B18R1.37863 CCC(C)CNC(=O)C=Cc1ccc(c(c1)O)O 240690a_100020588543_100011195073 [1,0,0,0,0,0|3,0,0]=4 134 B18R1.37863 CCC(O)CNC(=O)C=Cc1ccc(c(c1)Br)O 240690a_100011218483_200103079279 [1,0,0,0,0,0|3,0,0]=4 135 B18R1.37863 CCC(O)CNC(=O)C=Cc1ccc(c(c1)C)C 11a_100011218483_100011338269 [1,0,0,0,0,0|3,0,0]=4 136 B18R1.37863 CCC(O)CNC(=O)C=Cc1ccc(c(c1)C)C 240690a_100011218483_100011338269 [1,0,0,0,0,0|3,0,0]=4 137 B18R1.37863 CCC(O)CNC(=O)C=Cc1ccc(c(c1)C)F 11a_100011218483_100016261966 [1,0,0,0,0,0|3,0,0]=4 138 B18R1.37863 CCC(O)CNC(=O)C=Cc1ccc(c(c1)C)F 240690a_100011218483_100016261966 [1,0,0,0,0,0|3,0,0]=4 139 B18R1.37863 CCC(O)CNC(=O)C=Cc1ccc(c(c1)Cl)O 240690a_100011218483_200103117615 [1,0,0,0,0,0|3,0,0]=4 140 B18R1.37863 CCC(O)CNC(=O)C=Cc1ccc(c(c1)O)O 240690a_100011218483_100011195073 [1,0,0,0,0,0|2,0,0]=3 141 B18R1.37863 Cc1cc(ccc1F)C=CC(=O)NCC(C)CO 240690a_100000744482_100016261966 [1,0,0,0,0,0|3,0,0]=4 142 B18R1.37863 Cc1cc(ccc1F)C=CC(=O)NC[C@@H](F)CO 240690a_100015665980_100016261966 [1,0,0,0,0,0|3,0,0]=4 143 B18R1.37863 Cc1cc(ccc1F)C=CC(=O)NC[C@H](O)CO 240690a_100020644852_100016261966 [1,0,0,0,0,0|2,0,0]=3 144 B18R1.37863 Cc1cc(ccc1O)NCC(=O)NCC(O)CO 34a_100011218179_200012027429 [1,0,0,0,0,0|2,0,1]=4 145 B18R1.37863 Cc1cc(ccc1O)NCC(=O)NCC(O)CO 7a_100011218179_200012027429 [1,0,0,0,0,0|2,0,1]=4 146 B18R1.37863 Cc1cc(ccc1O)SCC(=O)NCC(O)CO 62a_200012027429_100000186361 [1,0,0,0,0,0|2,0,1]=4 147 B18R1.37863 Cc1ccc(cc1C)C=CC(=O)NCC(C)CO 240690a_100000744482_100011338269 [1,0,0,0,0,0|3,0,0]=4 148 B18R1.37863 Cc1ccc(cc1C)C=CC(=O)NC[C@@H](F)CO 240690a_100015665980_100011338269 [1,0,0,0,0,0|3,0,0]=4 149 B18R1.37863 Cc1ccc(cc1C)C=CC(=O)NC[C@H](O)CO 240690a_100020644852_100011338269 [1,0,0,0,0,0|2,0,0]=3 150 B18R1.37863 Cc1ccc(cc1F)C=CC(=O)NC[C@H](O)CO 240690a_100020644852_100102526211 [1,0,0,0,0,0|3,0,0]=4 151 B18R1.37863 O=C(C=Cc1ccc(c(c1)Br)Cl)NC[C@H](O)CO 240690a_100020644852_100102889548 [1,0,0,0,0,0|3,0,0]=4 152 B18R1.37863 O=C(C=Cc1ccc(c(c1)Br)F)NC[C@H](O)CO 240690a_100020644852_100011195070 [1,0,0,0,0,0|3,0,0]=4 153 B18R1.37863 O=C(C=Cc1ccc(c(c1)Br)O)NC[C@@H](F)CO 240690a_100015665980_200103079279 [1,0,0,0,0,0|3,0,0]=4 154 B18R1.37863 O=C(C=Cc1ccc(c(c1)Br)O)NC[C@H](O)CO 240690a_100020644852_200103079279 [1,0,0,0,0,0|2,0,0]=3 155 B18R1.37863 O=C(C=Cc1ccc(c(c1)Cl)Cl)NC[C@H](O)CO 240690a_100020644852_100000716972 [1,0,0,0,0,0|3,0,0]=4 156 B18R1.37863 O=C(C=Cc1ccc(c(c1)Cl)F)NC[C@H](O)CO 240690a_100020644852_100102525453 [1,0,0,0,0,0|3,0,0]=4 157 B18R1.37863 O=C(C=Cc1ccc(c(c1)Cl)O)NC[C@@H](F)CO 240690a_100015665980_200103117615 [1,0,0,0,0,0|3,0,0]=4 158 B18R1.37863 O=C(C=Cc1ccc(c(c1)Cl)O)NC[C@H](O)CO 240690a_100020644852_200103117615 [1,0,0,0,0,0|2,0,0]=3 159 B18R1.37863 O=C(C=Cc1ccc(c(c1)F)Br)NC[C@H](O)CO 240690a_100020644852_100102601611 [1,0,0,0,0,0|3,0,0]=4 160 B18R1.37863 O=C(C=Cc1ccc(c(c1)F)Cl)NC[C@H](O)CO 240690a_100020644852_100020610926 [1,0,0,0,0,0|3,0,0]=4 161 B18R1.37863 O=C(C=Cc1ccc(c(c1)F)F)NC[C@H](O)CO 240690a_100020644852_100011195075 [1,0,0,0,0,0|3,0,0]=4 162 B18R1.37863 O=C(C=Cc1ccc(c(c1)O)O)NC[C@@H](F)CO 240690a_100015665980_100011195073 [1,0,0,0,0,0|2,0,0]=3 163 B18R1.37863 O=C(C=Cc1ccc(c(c1)O)O)NC[C@H](O)CO 240690a_100020644852_100011195073 [1,0,0,0,0,0|1,0,0]=2 164 B18R1.37863 O=C(CNc1ccc(c(c1)O)O)NCC(O)CO 34a_100102946323_200012027429 [1,0,0,0,0,0|2,0,1]=4 165 B18R1.37863 O=C(CSc1ccc(c(c1)O)O)NCC(O)CO 62a_200012027429_100009813601 [1,0,0,0,0,0|2,0,1]=4 166 B18R1.37863 O=C(NCc1ccc(c(c1)O)O)NC[C@H](O)CO 2708a_100000010075_100020644852 [1,0,0,0,0,0|2,0,1]=4 167 B18R1.37863 O=C(NCc1ccc(c(c1)O)O)NC[C@H](O)CO 273464a_100000010075_100020644852 [1,0,0,0,0,0|2,0,1]=4 168 B18R1.37863 O=C(NCc1ccc(c(c1)O)O)NC[C@H](O)CO 273464a_100020644852_100000010075 [1,0,0,0,0,0|2,0,1]=4 169 B18R1.39572 COc1cccc(c1)CCC(=O)NC[C@H](O)CO 240690a_100020644852_100000234931 [1,0,0,0,0,0|1,0,2]=4 170 B18R1.39572 COc1cccc(c1)CCC(=O)NC[C@H](O)CO 527a_100020644852_100000234931 [1,0,0,0,0,0|1,0,2]=4 171 B18R1.39572 COc1cccc(c1)CNC(=O)NC[C@H](O)CO 2708a_100000174954_100020644852 [1,0,0,0,0,0|2,0,1]=4 172 B18R1.39572 COc1cccc(c1)CNC(=O)NC[C@H](O)CO 273464a_100000174954_100020644852 [1,0,0,0,0,0|2,0,1]=4 173 B18R1.39572 COc1cccc(c1)CNC(=O)NC[C@H](O)CO 273464a_100020644852_100000174954 [1,0,0,0,0,0|2,0,1]=4 174 B18R1.39572 COc1cccc(c1)NCC(=O)NCC(O)CO 34a_100000210024_200012027429 [1,0,0,0,0,0|2,0,1]=4 175 B18R1.39572 COc1cccc(c1)NNC(=O)NC[C@H](O)CO 273464a_100020644852_100000722927 [1,0,0,0,0,0|3,0,0]=4 176 B18R1.39572 COc1cccc(c1)OCC(=O)NCC(O)CO 34a_100000211255_200012027429 [1,0,0,0,0,0|2,0,1]=4 177 B18R1.39572 COc1cccc(c1)OCC(=O)NCC(O)CO 7a_100000211255_200012027429 [1,0,0,0,0,0|2,0,1]=4 178 B18R1.39572 COc1cccc(c1)OCC(=O)NC[C@H](O)CO 240690a_100020644852_100000182123 [1,0,0,0,0,0|2,0,1]=4 179 B18R1.39572 COc1cccc(c1)OCC(=O)NC[C@H](O)CO 527a_100020644852_100000182123 [1,0,0,0,0,0|2,0,1]=4 180 B18R1.39572 COc1cccc(c1)SCC(=O)NCC(O)CO 62a_200012027429_100000170001 [1,0,0,0,0,0|2,0,1]=4 181 B18R1.39572 COc1cccc(c1)SCC(=O)NC[C@H](O)CO 240690a_100020644852_100000741315 [1,0,0,0,0,0|2,0,1]=4 182 B18R1.39572 COc1cccc(c1)SCC(=O)NC[C@H](O)CO 527a_100020644852_100000741315 [1,0,0,0,0,0|2,0,1]=4 183 B18R1.39572 N#Cc1cccc(c1)C=CC(=O)NC[C@H](O)CO 240690a_100020644852_100000738773 [1,0,0,0,0,0|3,0,0]=4 184 B20R1.24814 CCC(C)CNC(=O)C=Cc1cc(c(c(c1)OC)O)Br 240690a_100020588543_100015195021 [0,1,0,0,0,0|3,0,0]=4 185 B20R1.24814 CCC(C)CNC(=O)C=Cc1cc(c(c(c1)OC)O)I 240690a_100020588543_200021160827 [0,1,0,0,0,0|3,0,0]=4 186 B20R1.24814 CCC(O)CNC(=O)C=Cc1cc(c(c(c1)OC)O)Br 240690a_100011218483_100015195021 [0,1,0,0,0,0|2,0,0]=3 187 B20R1.24814 CCC(O)CNC(=O)C=Cc1cc(c(c(c1)OC)O)I 240690a_100011218483_200021160827 [0,1,0,0,0,0|2,0,0]=3 188 B20R1.24814 COc1cc(cc(c1O)Br)C=CC(=O)NCC(C)CO 240690a_100000744482_100015195021 [0,1,0,0,0,0|2,0,0]=3 189 B20R1.24814 COc1cc(cc(c1O)Br)C=CC(=O)NC[C@@H](F)CO 240690a_100015665980_100015195021 [0,1,0,0,0,0|2,0,0]=3 190 B20R1.24814 COc1cc(cc(c1O)Br)C=CC(=O)NC[C@H](O)CO 240690a_100020644852_100015195021 [0,1,0,0,0,0|1,0,0]=2 191 B20R1.24814 COc1cc(cc(c1O)I)C=CC(=O)NCC(C)CO 240690a_100000744482_200021160827 [0,1,0,0,0,0|2,0,0]=3 192 B20R1.24814 COc1cc(cc(c1O)I)C=CC(=O)NC[C@@H](F)CO 240690a_100015665980_200021160827 [0,1,0,0,0,0|2,0,0]=3 193 B20R1.24814 COc1cc(cc(c1O)I)C=CC(=O)NC[C@H](O)CO 240690a_100020644852_200021160827 [0,1,0,0,0,0|1,0,0]=2 194 B20R1.24814 COc1cc(cc(c1O)O)SCC(=O)NCC(O)CO 62a_200012027429_200159242197 [0,1,0,0,0,0|2,0,1]=4 195 B20R1.32850 CCOc1cc(ccc1O)CNC(=O)NC[C@H](O)CO 2708a_200000751567_100020644852 [0,1,0,0,0,0|2,0,1]=4 196 B20R1.32850 CCOc1cc(ccc1O)CNC(=O)NC[C@H](O)CO 273464a_100020644852_200000751567 [0,1,0,0,0,0|2,0,1]=4 197 B20R1.32850 CCOc1cc(ccc1O)CNC(=O)NC[C@H](O)CO 273464a_200000751567_100020644852 [0,1,0,0,0,0|2,0,1]=4 198 B20R1.122560 COc1cc(ccc1Br)C=CC(=O)N(C)CC(O)CO 240690a_100011216503_100016267305 [0,1,0,0,0,0|2,0,0]=3 199 B20R1.122560 COc1cc(ccc1O)CCC(=O)N(C)CC(O)CO 240690a_100011216503_100011216321 [0,1,0,0,0,0|1,0,2]=4 200 B20R1.122560 COc1cc(ccc1O)CNC(=O)N(C)CC(O)CO 2708a_100000185554_100011216503 [0,1,0,0,0,0|2,0,1]=4 201 B20R1.122953 COc1cc(ccc1Br)C(=O)CC(=O)NCC(O)CO 1458a_100011934951_200012027429 [0,1,0,0,0,0|2,0,1]=4 202 B20R1.122953 COc1cc(ccc1C)C(=O)CC(=O)NCC(O)CO 1458a_100000212341_200012027429 [0,1,0,0,0,0|2,0,1]=4 203 B20R1.122953 COc1cc(ccc1Cl)C(=O)CC(=O)NCC(O)CO 1458a_100000181799_200012027429 [0,1,0,0,0,0|2,0,1]=4 204 B20R1.122953 COc1cc(ccc1F)C(=O)CC(=O)NCC(O)CO 1458a_100000757635_200012027429 [0,1,0,0,0,0|2,0,1]=4 205 B20R1.122953 COc1cc(ccc1I)C(=O)CC(=O)NCC(O)CO 1458a_100012356290_200012027429 [0,1,0,0,0,0|2,0,1]=4 206 B20R1.122953 COc1cc(ccc1O)C(=O)CC(=O)NCC(O)CO 1458a_100000687070_200012027429 [0,1,0,0,0,0|1,0,1]=3 207 B20R1.122965 COc1cc(ccc1Br)C=CC(=O)NCC(O)C(C)C 11a_100000759067_100016267305 [0,1,0,0,0,0|3,0,0]=4 208 B20R1.122965 COc1cc(ccc1Br)C=CC(=O)NCC(O)C(C)C 240690a_100000759067_100016267305 [0,1,0,0,0,0|3,0,0]=4 209 B20R1.122967 CCC(CNC(=O)C=Cc1ccc(c(c1)OC)Br)OC 11a_100000731041_100016267305 [0,1,0,0,0,0|3,0,0]=4 210 B20R1.122967 CCC(CNC(=O)C=Cc1ccc(c(c1)OC)Br)OC 1626a_100000731041_100016267305 [0,1,0,0,0,0|3,0,0]=4 211 B20R1.122967 CCC(CNC(=O)C=Cc1ccc(c(c1)OC)Br)OC 240690a_100000731041_100016267305 [0,1,0,0,0,0|3,0,0]=4 212 B20R1.122967 COc1cc(ccc1O)C=CC(=O)CCC(OC)OC 1458a_100000182119_100000139399 [0,1,0,0,0,0|3,0,0]=4 213 B20R1.158058 COCC(O)CNC(=O)C=Cc1ccc(c(c1)OC)Br 240690a_100000756049_100016267305 [0,1,0,0,0,0|2,0,0]=3 214 B20R1.158058 COCC(O)CNC(=O)CCc1ccc(c(c1)OC)O 240690a_100000756049_100011216321 [0,1,0,0,0,0|1,0,2]=4 215 B20R1.158058 COCC(O)CNC(=O)NCc1ccc(c(c1)OC)O 2708a_100000185554_100000756049 [0,1,0,0,0,0|2,0,1]=4 216 B20R1.158058 COCC(O)CNC(=O)NCc1ccc(c(c1)OC)O 273464a_100000185554_100000756049 [0,1,0,0,0,0|2,0,1]=4 217 B20R1.158058 COCC(O)CNC(=O)NCc1ccc(c(c1)OC)O 273464a_100000756049_100000185554 [0,1,0,0,0,0|2,0,1]=4 218 B20R1.158058 COCC(O)CNC(=O)NCc1ccc(c(c1)OC)O 512a_100000756049_100000185554 [0,1,0,0,0,0|2,0,1]=4 219 B20R1.190378 CCC(O)CNC(=O)C=Cc1ccc(c(c1F)OC)Cl 11a_100011218483_100020621803 [0,1,0,0,0,0|3,0,0]=4 220 B20R1.190378 CCC(O)CNC(=O)C=Cc1ccc(c(c1F)OC)Cl 240690a_100011218483_100020621803 [0,1,0,0,0,0|3,0,0]=4 221 B20R1.190378 COc1c(ccc(c1F)C=CC(=O)NCC(C)CO)Cl 240690a_100000744482_100020621803 [0,1,0,0,0,0|3,0,0]=4 222 B20R1.190378 COc1c(ccc(c1F)C=CC(=O)NC[C@@H](F)CO)Cl 240690a_100015665980_100020621803 [0,1,0,0,0,0|3,0,0]=4 223 B20R1.190378 COc1c(ccc(c1F)C=CC(=O)NC[C@H](O)CO)Cl 240690a_100020644852_100020621803 [0,1,0,0,0,0|2,0,0]=3 224 B20R1.727812 CCC(C)CNC(=O)C=Cc1ccc(c(c1)OC)OC 11a_100020588543_100015194992 [0,1,0,0,0,0|3,0,0]=4 225 B20R1.727812 CCC(C)CNC(=O)C=Cc1ccc(c(c1)OC)OC 1626a_100020588543_100015194992 [0,1,0,0,0,0|3,0,0]=4 226 B20R1.727812 CCC(C)CNC(=O)C=Cc1ccc(c(c1)OC)OC 240690a_100020588543_100015194992 [0,1,0,0,0,0|3,0,0]=4 227 B20R1.727812 CCC(C)CNC(=O)C=Cc1ccc(c(c1)OC)OC 527a_100020588543_100015194992 [0,1,0,0,0,0|3,0,0]=4 228 B20R1.727812 CCC(O)CNC(=O)C=Cc1ccc(c(c1)OC)OC 11a_100011218483_100015194992 [0,1,0,0,0,0|2,0,0]=3 229 B20R1.727812 CCC(O)CNC(=O)C=Cc1ccc(c(c1)OC)OC 240690a_100011218483_100015194992 [0,1,0,0,0,0|2,0,0]=3 230 B20R1.727812 CCC(O)CNC(=O)C=Cc1ccc(c(c1)OC)OC 527a_100011218483_100015194992 [0,1,0,0,0,0|2,0,0]=3 231 B20R1.727812 COc1cc(ccc1CO)NCC(=O)NCC(O)CO 34a_100012183141_200012027429 [0,1,0,0,0,0|2,0,1]=4 232 B20R1.727812 COc1cc(ccc1CO)OCC(=O)NCC(O)CO 34a_200000116926_200012027429 [0,1,0,0,0,0|2,0,1]=4 233 B20R1.727812 COc1cc(ccc1CO)OCC(=O)NC[C@H](O)CO 240690a_100020644852_200000048963 [0,1,0,0,0,0|2,0,1]=4 234 B20R1.727812 COc1cc(ccc1CO)SCC(=O)NCC(O)CO 62a_100011277633_200012027429 [0,1,0,0,0,0|2,0,1]=4 235 B20R1.727812 COc1cc(ccc1CO)SCC(=O)NCC(O)CO 62a_200012027429_100011277633 [0,1,0,0,0,0|2,0,1]=4 236 B20R1.727812 COc1ccc(cc1OC)C=CC(=O)NCC(C)CO 240690a_100000744482_100015194992 [0,1,0,0,0,0|2,0,0]=3 237 B20R1.727812 COc1ccc(cc1OC)C=CC(=O)NCC(C)CO 527a_100000744482_100015194992 [0,1,0,0,0,0|2,0,0]=3 238 B20R1.727812 COc1ccc(cc1OC)C=CC(=O)NC[C@@H](F)CO 240690a_100015665980_100015194992 [0,1,0,0,0,0|2,0,0]=3 239 B20R1.727812 COc1ccc(cc1OC)C=CC(=O)NC[C@@H](F)CO 527a_100015665980_100015194992 [0,1,0,0,0,0|2,0,0]=3 240 B20R1.727812 COc1ccc(cc1OC)C=CC(=O)NC[C@H](O)CO 240690a_100020644852_100015194992 [0,1,0,0,0,0|1,0,0]=2 241 B20R1.727812 COc1ccc(cc1OC)C=CC(=O)NC[C@H](O)CO 527a_100020644852_100015194992 [0,1,0,0,0,0|1,0,0]=2 242 B20R1.727812 COc1ccc(cc1OC)CCC(=O)NC[C@H](O)CO 240690a_100020644852_100000187252 [0,1,0,0,0,0|1,0,2]=4 243 B20R1.727812 COc1ccc(cc1OC)CCC(=O)NC[C@H](O)CO 527a_100020644852_100000187252 [0,1,0,0,0,0|1,0,2]=4 244 B20R1.727812 COc1ccc(cc1OC)CNC(=O)NC[C@H](O)CO 2708a_100000185555_100020644852 [0,1,0,0,0,0|2,0,1]=4 245 B20R1.727812 COc1ccc(cc1OC)CNC(=O)NC[C@H](O)CO 273464a_100000185555_100020644852 [0,1,0,0,0,0|2,0,1]=4 246 B20R1.727812 COc1ccc(cc1OC)CNC(=O)NC[C@H](O)CO 273464a_100020644852_100000185555 [0,1,0,0,0,0|2,0,1]=4 247 B20R1.727812 COc1ccc(cc1OC)NCC(=O)NCC(O)CO 34a_100000187404_200012027429 [0,1,0,0,0,0|2,0,1]=4 248 B20R1.727812 COc1ccc(cc1OC)NNC(=O)NC[C@H](O)CO 273464a_100020644852_100000071703 [0,1,0,0,0,0|3,0,0]=4 249 B20R1.727812 COc1ccc(cc1OC)OCC(=O)NCC(O)CO 34a_100000039706_200012027429 [0,1,0,0,0,0|2,0,1]=4 250 B20R1.727812 COc1ccc(cc1OC)SCC(=O)NCC(O)CO 62a_200012027429_100011356967 [0,1,0,0,0,0|2,0,1]=4 251 B20R1.759813 COc1cc(c(cc1O)F)SCC(=O)NCC(O)CO 62a_200012027429_100010189133 [0,1,0,0,0,0|2,0,1]=4 252 B20R1.3010962 COc1cc(ccc1Br)C=CC(=O)NCC(C)(C)CO 240690a_100020635058_100016267305 [0,1,0,0,0,0|3,0,0]=4 253 B20R1.3010962 COc1cc(ccc1Br)C=CC(=O)NCC(F)(F)CO 240690a_100000703232_100016267305 [0,1,0,0,0,0|3,0,0]=4 254 B20R2.2947 COc1cc(ccc1Br)C=CC(=O)N2CCC(C2)O 240690a_100011215560_100016267305 [0,0,0,1,0,0|3,0,0]=4 255 B20R2.265766 CC(CO)CNC(=O)C=Cc1ccc2c(c1)CCO2 240690a_100000744482_100000241297 [0,0,0,1,0,0|3,0,0]=4 256 B20R2.265766 CCC(C)CNC(=O)C=Cc1ccc2c(c1)OCO2 11a_100020588543_100000182195 [0,0,0,1,0,0|3,0,0]=4 257 B20R2.265766 CCC(C)CNC(=O)C=Cc1ccc2c(c1)OCO2 1626a_100020588543_100000182195 [0,0,0,1,0,0|3,0,0]=4 258 B20R2.265766 CCC(O)CNC(=O)C=Cc1ccc2c(c1)CCO2 11a_100011218483_100000241297 [0,0,0,1,0,0|3,0,0]=4 259 B20R2.265766 CCC(O)CNC(=O)C=Cc1ccc2c(c1)CCO2 240690a_100011218483_100000241297 [0,0,0,1,0,0|3,0,0]=4 260 B20R2.265766 CCC(O)CNC(=O)C=Cc1ccc2c(c1)OCO2 11a_100011218483_100000182195 [0,0,0,1,0,0|2,0,0]=3 261 B20R2.265766 O=C(C=Cc1ccc2c(c1)CCO2)NC[C@@H](F)CO 240690a_100015665980_100000241297 [0,0,0,1,0,0|3,0,0]=4 262 B20R2.265766 O=C(C=Cc1ccc2c(c1)CCO2)NC[C@H](O)CO 240690a_100020644852_100000241297 [0,0,0,1,0,0|2,0,0]=3 263 B20R2.265766 O=C(CCc1ccc2c(c1)OCO2)NC[C@H](O)CO 240690a_100020644852_100000235677 [0,0,0,1,0,0|1,0,2]=4 264 B20R2.265766 O=C(CCc1ccc2c(c1)OCO2)NC[C@H](O)CO 527a_100020644852_100000235677 [0,0,0,1,0,0|1,0,2]=4 265 B20R2.265766 O=C(CNc1ccc2c(c1)OCO2)NCC(O)CO 2230a_100000209953_200012027429 [0,0,0,1,0,0|2,0,1]=4 266 B20R2.265766 O=C(CNc1ccc2c(c1)OCO2)NCC(O)CO 34a_100000209953_200012027429 [0,0,0,1,0,0|2,0,1]=4 267 B20R2.265766 O=C(COc1ccc2c(c1)OCO2)NCC(O)CO 34a_100000210298_200012027429 [0,0,0,1,0,0|2,0,1]=4 268 B20R2.265766 O=C(COc1ccc2c(c1)OCO2)NC[C@H](O)CO 240690a_100020644852_100000246017 [0,0,0,1,0,0|2,0,1]=4 269 B20R2.265766 O=C(COc1ccc2c(c1)OCO2)NC[C@H](O)CO 527a_100020644852_100000246017 [0,0,0,1,0,0|2,0,1]=4 270 B20R2.265766 O=C(NCc1ccc2c(c1)OCO2)NC[C@H](O)CO 2708a_100000210006_100020644852 [0,0,0,1,0,0|2,0,1]=4 271 B20R2.265766 O=C(NCc1ccc2c(c1)OCO2)NC[C@H](O)CO 273464a_100000210006_100020644852 [0,0,0,1,0,0|2,0,1]=4 272 B20R2.265766 O=C(NCc1ccc2c(c1)OCO2)NC[C@H](O)CO 273464a_100020644852_100000210006 [0,0,0,1,0,0|2,0,1]=4 273 B20R2.299677 COc1cc(ccc1Br)C=CC(=O)N2CC(C2)CO 240690a_100016987283_100016267305 [0,0,0,1,0,0|3,0,0]=4 274 B20R2.2308522 COc1cc(ccc1Br)C=CC(=O)NCC2(CC2)O 11a_100011936951_100016267305 [0,0,0,1,0,0|3,0,0]=4 275 B20R2.2308522 COc1cc(ccc1Br)C=CC(=O)NCC2(CC2)O 240690a_100011936951_100016267305 [0,0,0,1,0,0|3,0,0]=4 276 B20R2.2308727 COc1cc(ccc1Br)C=CC(=O)N2C[C@@H]([C@@H]2C)O 11a_206633788156_100016267305 [0,0,0,1,0,0|3,0,0]=4 277 B20R2.2308727 COc1cc(ccc1Br)C=CC(=O)N2C[C@@H]([C@@H]2C)O 240690a_206633788156_100016267305 [0,0,0,1,0,0|3,0,0]=4 278 B20R2.2308730 COc1cc(ccc1Br)C=CC(=O)NCC2COC2 11a_100015281925_100016267305 [0,0,0,1,0,0|3,0,0]=4 279 B20R2.2308730 COc1cc(ccc1Br)C=CC(=O)NCC2COC2 1626a_100015281925_100016267305 [0,0,0,1,0,0|3,0,0]=4 280 B20R2.2308730 COc1cc(ccc1Br)C=CC(=O)NCC2COC2 240690a_100015281925_100016267305 [0,0,0,1,0,0|3,0,0]=4 281 B20R2.2308730 COc1cc(ccc1Br)C=CC(=O)NC[C@@H]2CCO2 11a_100020831831_100016267305 [0,0,0,1,0,0|3,0,0]=4 282 B20R2.2308730 COc1cc(ccc1Br)C=CC(=O)NC[C@@H]2CCO2 1626a_100020831831_100016267305 [0,0,0,1,0,0|3,0,0]=4 283 B20R2.2308730 COc1cc(ccc1Br)C=CC(=O)NC[C@@H]2CCO2 240690a_100020831831_100016267305 [0,0,0,1,0,0|3,0,0]=4 284 B18R1.5478 CCC(=O)CC(=O)C=Cc1ccc(c(c1)OC)O 1458a_100000182119_100000747405 [0,0,0,0,1,0|1,0,2]=4 285 B18R1.5478 CCC(C)CC(=O)C=Cc1ccc(c(c1)OC)Br 1458a_100016267305_100000748023 [0,0,0,0,1,0|3,0,0]=4 286 B18R1.5478 CCC(C)CC(=O)C=Cc1ccc(c(c1)OC)C 6a_100000719150_100011710205 [0,0,0,0,1,0|3,0,0]=4 287 B18R1.5478 CCC(C)CC(=O)C=Cc1ccc(c(c1)OC)Cl 6a_100011998524_100011710205 [0,0,0,0,1,0|3,0,0]=4 288 B18R1.5478 CCC(C)CC(=O)C=Cc1ccc(c(c1)OC)F 6a_100000692873_100011710205 [0,0,0,0,1,0|3,0,0]=4 289 B18R1.5478 CCC(C)CC(=O)C=Cc1ccc(c(c1)OC)O 1458a_100000182119_100000748023 [0,0,0,0,1,0|2,0,0]=3 290 B18R1.5478 CCC(O)CC(=O)C=Cc1ccc(c(c1)OC)Br 1458a_100016267305_100011218378 [0,0,0,0,1,0|2,0,0]=3 291 B18R1.5478 CCC(O)CC(=O)C=Cc1ccc(c(c1)OC)O 1458a_100000182119_100011218378 [0,0,0,0,1,0|1,0,0]=2 292 B18R1.5478 CCC(O)CC(=O)CCc1ccc(c(c1)OC)O 1458a_100011216321_100011218378 [0,0,0,0,1,0|1,0,2]=4 293 B18R1.5478 CCC(O)CC(=O)CCc1ccc(c(c1)OC)O 1458a_100011667805_100010741665 [0,0,0,0,1,0|1,0,2]=4 294 B18R1.5478 CCC(O)CC(=O)NCc1ccc(c(c1)OC)O 240690a_100000185554_100011667805 [0,0,0,0,1,0|2,0,1]=4 295 B18R1.5478 CC[C@H](C)CC(=O)C=Cc1ccc(c(c1)OC)Br 1458a_100016267305_100009816398 [0,0,0,0,1,0|3,0,0]=4 296 B18R1.5478 CC[C@H](C)CC(=O)C=Cc1ccc(c(c1)OC)O 1458a_100000182119_100009816398 [0,0,0,0,1,0|2,0,0]=3 297 B18R1.5478 COc1cc(ccc1Br)C=CC(=O)C[C@@H](C)CO 1458a_100016267305_100000059175 [0,0,0,0,1,0|2,0,0]=3 298 B18R1.5478 COc1cc(ccc1Br)C=CC(=O)N[C@H](C)CO 240690a_100000737577_100016267305 [0,0,0,0,1,0|3,0,0]=4 299 B18R1.5478 COc1cc(ccc1O)C=CC(=O)C[C@@H](C)CO 1458a_100000182119_100000059175 [0,0,0,0,1,0|1,0,0]=2 300 B18R1.5478 COc1cc(ccc1O)CCC(=O)C[C@@H](C)CO 1458a_100011216321_100000059175 [0,0,0,0,1,0|1,0,2]=4 301 B18R1.5551 CCC(O)CCC(=O)Nc1ccc(c(c1)OC)O 22a_100000726020_203496584001 [0,0,0,0,1,0|3,0,0]=4 302 B18R1.5551 CCC(O)CNC(=O)Cc1ccc(c(c1)OC)O 240690a_100011218483_100000032101 [0,0,0,0,1,0|2,0,1]=4 303 B18R1.5551 CCC(O)CNC(=O)Cc1ccc(c(c1)OC)O 527a_100011218483_100000032101 [0,0,0,0,1,0|2,0,1]=4 304 B18R1.5551 CCC(O)CNC(=O)Nc1ccc(c(c1)OC)O 2430a_100000726020_100011218483 [0,0,0,0,1,0|3,0,0]=4 305 B18R1.5551 COc1cc(ccc1Br)CC(=O)NC[C@H](O)CO 240690a_100020644852_200010002685 [0,0,0,0,1,0|2,0,1]=4 306 B18R1.5551 COc1cc(ccc1Br)CC(=O)NC[C@H](O)CO 527a_100020644852_200010002685 [0,0,0,0,1,0|2,0,1]=4 307 B18R1.5551 COc1cc(ccc1Br)NC(=O)NC[C@H](O)CO 2430a_100000765947_100020644852 [0,0,0,0,1,0|3,0,0]=4 308 B18R1.5551 COc1cc(ccc1C)NC(=O)NC[C@H](O)CO 2430a_100011279678_100020644852 [0,0,0,0,1,0|3,0,0]=4 309 B18R1.5551 COc1cc(ccc1Cl)NC(=O)NC[C@H](O)CO 2430a_100000742311_100020644852 [0,0,0,0,1,0|3,0,0]=4 310 B18R1.5551 COc1cc(ccc1F)CC(=O)NC[C@H](O)CO 240690a_100020644852_100000117344 [0,0,0,0,1,0|2,0,1]=4 311 B18R1.5551 COc1cc(ccc1F)CC(=O)NC[C@H](O)CO 527a_100020644852_100000117344 [0,0,0,0,1,0|2,0,1]=4 312 B18R1.5551 COc1cc(ccc1F)NC(=O)NC[C@H](O)CO 2430a_100000701188_100020644852 [0,0,0,0,1,0|3,0,0]=4 313 B18R1.5551 COc1cc(ccc1I)NC(=O)NC[C@H](O)CO 2430a_100000746945_100020644852 [0,0,0,0,1,0|3,0,0]=4 314 B18R1.5551 COc1cc(ccc1O)CC(=O)NCC(C)CO 240690a_100000744482_100000032101 [0,0,0,0,1,0|2,0,1]=4 315 B18R1.5551 COc1cc(ccc1O)CC(=O)NCC(C)CO 527a_100000744482_100000032101 [0,0,0,0,1,0|2,0,1]=4 316 B18R1.5551 COc1cc(ccc1O)CC(=O)NC[C@@H](F)CO 240690a_100015665980_100000032101 [0,0,0,0,1,0|2,0,1]=4 317 B18R1.5551 COc1cc(ccc1O)CC(=O)NC[C@@H](F)CO 527a_100015665980_100000032101 [0,0,0,0,1,0|2,0,1]=4 318 B18R1.5551 COc1cc(ccc1O)CC(=O)NC[C@H](O)CO 240690a_100020644852_100000032101 [0,0,0,0,1,0|1,0,1]=3 319 B18R1.5551 COc1cc(ccc1O)CC(=O)NC[C@H](O)CO 527a_100020644852_100000032101 [0,0,0,0,1,0|1,0,1]=3 320 B18R1.5551 COc1cc(ccc1O)NC(=O)NCC(C)CO 2430a_100000726020_100000744482 [0,0,0,0,1,0|3,0,0]=4 321 B18R1.5551 COc1cc(ccc1O)NC(=O)NC[C@@H](F)CO 2430a_100000726020_100015665980 [0,0,0,0,1,0|3,0,0]=4 322 B18R1.5551 COc1cc(ccc1O)NC(=O)NC[C@H](O)CO 2430a_100000726020_100020644852 [0,0,0,0,1,0|2,0,0]=3 323 B20R1.122502 COc1cc(ccc1O)CCNC(=O)NC[C@H](O)CO 2708a_100000756042_100020644852 [0,0,0,0,0,1|1,0,2]=4 324 B20R1.122502 COc1cc(ccc1O)CCNC(=O)NC[C@H](O)CO 273464a_100000756042_100020644852 [0,0,0,0,0,1|1,0,2]=4 325 B20R1.122502 COc1cc(ccc1O)CCNC(=O)NC[C@H](O)CO 273464a_100020644852_100000756042 [0,0,0,0,0,1|1,0,2]=4 326 B20R1.122502 COc1cc(ccc1O)CNCC(=O)NCC(O)CO 34a_100000185554_200012027429 [0,0,0,0,0,1|1,0,2]=4 327 B20R1.122966 CCC(O)CNN=C(C)C=Cc1ccc(c(c1)OC)O 4a_100015206393_100102526088 [0,0,0,0,0,1|3,0,0]=4 328 B20R1.122966 CCC(O)CNNC(=O)C=Cc1ccc(c(c1)OC)Br 22a_100015206393_100016267305 [0,0,0,0,0,1|3,0,0]=4 329 B20R1.122966 COc1cc(ccc1Br)C=CC(=O)NCCC(C)CO 240690a_106354213184_100016267305 [0,0,0,0,0,1|3,0,0]=4 330 B17R1.3343 COc1cccc(c1)C=CC(=O)NNCCO 22a_100000210001_100000211917 [2,0,0,0,0,0|2,0,0]=4 331 B17R1.3349 CCCCNC(=O)C=Cc1ccc(c(c1)O)O 240690a_100000102301_100011195073 [2,0,0,0,0,0|2,0,0]=4 332 B17R1.3349 Cc1cc(ccc1F)C=CC(=O)CCCCO 1458a_100016261966_100000210776 [2,0,0,0,0,0|2,0,0]=4 333 B17R1.3349 Cc1cc(ccc1F)C=CC(=O)NCCCO 240690a_100000182051_100016261966 [2,0,0,0,0,0|2,0,0]=4 334 B17R1.3349 Cc1ccc(cc1C)C=CC(=O)CCCCO 1458a_100011338269_100000210776 [2,0,0,0,0,0|2,0,0]=4 335 B17R1.3349 Cc1ccc(cc1C)C=CC(=O)NCCCO 240690a_100000182051_100011338269 [2,0,0,0,0,0|2,0,0]=4 336 B17R1.3349 O=C(C=Cc1ccc(c(c1)Br)O)CCCCO 1458a_200103079279_100000210776 [2,0,0,0,0,0|2,0,0]=4 337 B17R1.3349 O=C(C=Cc1ccc(c(c1)Br)O)NCCCO 240690a_100000182051_200103079279 [2,0,0,0,0,0|2,0,0]=4 338 B17R1.3349 O=C(C=Cc1ccc(c(c1)Cl)O)CCCCO 1458a_200103117615_100000210776 [2,0,0,0,0,0|2,0,0]=4 339 B17R1.3349 O=C(C=Cc1ccc(c(c1)Cl)O)NCCCO 240690a_100000182051_200103117615 [2,0,0,0,0,0|2,0,0]=4 340 B17R1.3349 O=C(C=Cc1ccc(c(c1)O)O)NCCCF 240690a_100015189416_100011195073 [2,0,0,0,0,0|2,0,0]=4 341 B17R1.3349 O=C(C=Cc1ccc(c(c1)O)O)NCCCO 240690a_100000182051_100011195073 [2,0,0,0,0,0|1,0,0]=3 342 B17R1.3349 O=C(C=Cc1ccc(c(c1)O)O)NNCCO 22a_100000210001_100011195073 [2,0,0,0,0,0|2,0,0]=4 343 B17R1.29498 COc1cc(ccc1O)C=CC=NNCCO 4a_100000210001_200137361272 [2,0,0,0,0,0|2,0,0]=4 344 B17R1.29943 C#CCCC(=O)C=Cc1ccc(c(c1)OC)O 1458a_100000182119_100000753159 [2,0,0,0,0,0|1,0,1]=4 345 B17R1.29943 C=CCCC(=O)C=Cc1ccc(c(c1)OC)O 1458a_100000182119_100000754431 [2,0,0,0,0,0|1,0,1]=4 346 B17R1.29943 CCCCC(=O)C=Cc1ccc(c(c1)OC)Br 1458a_100016267305_100000210211 [2,0,0,0,0,0|2,0,0]=4 347 B17R1.29943 CCCCC(=O)C=Cc1ccc(c(c1)OC)C 6a_100000719150_100000032102 [2,0,0,0,0,0|2,0,0]=4 348 B17R1.29943 CCCCC(=O)C=Cc1ccc(c(c1)OC)Cl 6a_100011998524_100000032102 [2,0,0,0,0,0|2,0,0]=4 349 B17R1.29943 CCCCC(=O)C=Cc1ccc(c(c1)OC)F 6a_100000692873_100000032102 [2,0,0,0,0,0|2,0,0]=4 350 B17R1.29943 CCCCC(=O)C=Cc1ccc(c(c1)OC)O 1458a_100000182119_100000210211 [2,0,0,0,0,0|1,0,0]=3 351 B17R1.29943 CCCNC(=O)C=Cc1ccc(c(c1)OC)Br 11a_100020643023_100016267305 [2,0,0,0,0,0|2,0,0]=4 352 B17R1.29943 CCCNC(=O)C=Cc1ccc(c(c1)OC)Br 1626a_100020643023_100016267305 [2,0,0,0,0,0|2,0,0]=4 353 B17R1.29943 CCCNC(=O)C=Cc1ccc(c(c1)OC)Br 240690a_100020643023_100016267305 [2,0,0,0,0,0|2,0,0]=4 354 B17R1.29943 CCCOC(=O)CNc1ccc(c(c1)OC)O 34a_100000726020_200011215008 [2,0,0,0,0,0|1,0,1]=4 355 B17R1.29943 CCCOC(=O)CSc1ccc(c(c1)OC)O 62a_200011215008_100000694246 [2,0,0,0,0,0|1,0,1]=4 356 B17R1.29943 COCCC(=O)C=Cc1ccc(c(c1)OC)O 1458a_100000182119_100000233755 [2,0,0,0,0,0|2,0,0]=4 357 B17R1.29943 COc1cc(ccc1Br)C=CC(=O)CCCF 1458a_100016267305_100011934791 [2,0,0,0,0,0|2,0,0]=4 358 B17R1.29943 COc1cc(ccc1Br)C=CC(=O)CCCO 1458a_100016267305_100011215043 [2,0,0,0,0,0|1,0,0]=3 359 B17R1.29943 COc1cc(ccc1Br)C=CC(=O)NCCO 240690a_100000210304_100016267305 [2,0,0,0,0,0|2,0,0]=4 360 B17R1.29943 COc1cc(ccc1C)C=CC(=O)CCCBr 6a_100000719150_100000685027 [2,0,0,0,0,0|2,0,0]=4 361 B17R1.29943 COc1cc(ccc1C)C=CC(=O)CCCCl 6a_100000719150_100011215641 [2,0,0,0,0,0|2,0,0]=4 362 B17R1.29943 COc1cc(ccc1Cl)C=CC(=O)CCCBr 6a_100011998524_100000685027 [2,0,0,0,0,0|2,0,0]=4 363 B17R1.29943 COc1cc(ccc1Cl)C=CC(=O)CCCCl 6a_100011998524_100011215641 [2,0,0,0,0,0|2,0,0]=4 364 B17R1.29943 COc1cc(ccc1F)C=CC(=O)CCCBr 6a_100000692873_100000685027 [2,0,0,0,0,0|2,0,0]=4 365 B17R1.29943 COc1cc(ccc1F)C=CC(=O)CCCCl 6a_100000692873_100011215641 [2,0,0,0,0,0|2,0,0]=4 366 B17R1.29943 COc1cc(ccc1O)C=CC(=O)CCC#N 1458a_100000182119_100011215226 [2,0,0,0,0,0|1,0,1]=4 367 B17R1.29943 COc1cc(ccc1O)C=CC(=O)CCCF 1458a_100000182119_100011934791 [2,0,0,0,0,0|1,0,0]=3 368 B17R1.29943 COc1cc(ccc1O)C=CC(=O)CCCO 1458a_100000182119_100011215043 [2,0,0,0,0,0|0,0,0]=2 369 B17R1.29943 COc1cc(ccc1O)C=CC(=O)CCSC 1458a_100000182119_100000751147 [2,0,0,0,0,0|2,0,0]=4 370 B17R1.29943 COc1cc(ccc1O)CCC(=O)CCCO 1458a_100011216321_100011215043 [2,0,0,0,0,0|0,0,2]=4 371 B17R1.1062 CC(C)CNC(=O)C=Cc1ccc(c(c1)O)O 240690a_100000210953_100011195073 [2,0,0,0,0,0|2,0,0]=4 372 B17R1.1062 CC(O)CCC(=O)C=Cc1ccc(c(c1)Br)O 1458a_200103079279_100012276601 [2,0,0,0,0,0|2,0,0]=4 373 B17R1.1062 CC(O)CCC(=O)C=Cc1ccc(c(c1)Cl)O 1458a_200103117615_100012276601 [2,0,0,0,0,0|2,0,0]=4 374 B17R1.1062 CC(O)CNC(=O)C=Cc1ccc(c(c1)Br)O 240690a_100000210904_200103079279 [2,0,0,0,0,0|2,0,0]=4 375 B17R1.1062 CC(O)CNC(=O)C=Cc1ccc(c(c1)Cl)O 240690a_100000210904_200103117615 [2,0,0,0,0,0|2,0,0]=4 376 B17R1.1062 CC(O)CNC(=O)C=Cc1ccc(c(c1)O)O 240690a_100000210904_100011195073 [2,0,0,0,0,0|1,0,0]=3 377 B17R1.1062 Cc1cc(ccc1F)C=CC(=O)CCC(C)O 1458a_100016261966_100012276601 [2,0,0,0,0,0|2,0,0]=4 378 B17R1.1062 Cc1cc(ccc1F)C=CC(=O)NCC(C)O 11a_100000210904_100016261966 [2,0,0,0,0,0|2,0,0]=4 379 B17R1.1062 Cc1cc(ccc1F)C=CC(=O)NCC(C)O 240690a_100000210904_100016261966 [2,0,0,0,0,0|2,0,0]=4 380 B17R1.1062 Cc1ccc(cc1C)C=CC(=O)CCC(C)O 1458a_100011338269_100012276601 [2,0,0,0,0,0|2,0,0]=4 381 B17R1.1062 Cc1ccc(cc1C)C=CC(=O)NCC(C)O 11a_100000210904_100011338269 [2,0,0,0,0,0|2,0,0]=4 382 B17R1.1062 Cc1ccc(cc1C)C=CC(=O)NCC(C)O 240690a_100000210904_100011338269 [2,0,0,0,0,0|2,0,0]=4 383 B17R1.1402 CC(CO)CNC(=O)C=Cc1ccc(cc1)O 240690a_100000744482_100016269017 [2,0,0,0,0,0|2,0,0]=4 384 B17R1.1402 CCC(O)CNC(=O)C=Cc1ccc(cc1)O 240690a_100011218483_100016269017 [2,0,0,0,0,0|2,0,0]=4 385 B17R1.1402 Cc1ccc(cc1)C=CC(=O)NC[C@H](O)CO 240690a_100020644852_100000716854 [2,0,0,0,0,0|2,0,0]=4 386 B17R1.1402 O=C(C=Cc1ccc(cc1)Cl)NC[C@H](O)CO 240690a_100020644852_100000184863 [2,0,0,0,0,0|2,0,0]=4 387 B17R1.1402 O=C(C=Cc1ccc(cc1)F)NC[C@H](O)CO 240690a_100020644852_100000182136 [2,0,0,0,0,0|2,0,0]=4 388 B17R1.1402 O=C(C=Cc1ccc(cc1)I)NC[C@H](O)CO 240690a_100020644852_100102526154 [2,0,0,0,0,0|2,0,0]=4 389 B17R1.1402 O=C(C=Cc1ccc(cc1)O)NC[C@@H](F)CO 240690a_100015665980_100016269017 [2,0,0,0,0,0|2,0,0]=4 390 B17R1.1402 O=C(C=Cc1ccc(cc1)O)NC[C@H](O)CO 240690a_100020644852_100016269017 [2,0,0,0,0,0|1,0,0]=3 391 B17R1.1403 CCC(O)CNC(=O)C=Cc1cccc(c1)C 11a_100011218483_100000690095 [2,0,0,0,0,0|2,0,0]=4 392 B17R1.1403 CCC(O)CNC(=O)C=Cc1cccc(c1)C 240690a_100011218483_100000690095 [2,0,0,0,0,0|2,0,0]=4 393 B17R1.1403 Cc1cccc(c1)C=CC(=O)NCC(C)CO 240690a_100000744482_100000690095 [2,0,0,0,0,0|2,0,0]=4 394 B17R1.1403 Cc1cccc(c1)C=CC(=O)NC[C@@H](F)CO 240690a_100015665980_100000690095 [2,0,0,0,0,0|2,0,0]=4 395 B17R1.1403 Cc1cccc(c1)C=CC(=O)NC[C@H](O)CO 240690a_100020644852_100000690095 [2,0,0,0,0,0|1,0,0]=3 396 B17R1.1403 O=C(C=Cc1cccc(c1)Br)NC[C@H](O)CO 240690a_100020644852_100016258244 [2,0,0,0,0,0|2,0,0]=4 397 B17R1.1403 O=C(C=Cc1cccc(c1)Cl)NC[C@H](O)CO 240690a_100020644852_100000184502 [2,0,0,0,0,0|2,0,0]=4 398 B17R1.1403 O=C(C=Cc1cccc(c1)F)NC[C@H](O)CO 240690a_100020644852_100000718793 [2,0,0,0,0,0|2,0,0]=4 399 B17R1.1403 O=C(C=Cc1cccc(c1)I)NC[C@H](O)CO 240690a_100020644852_100020647043 [2,0,0,0,0,0|2,0,0]=4 400 B19R1.5220 COc1cc(ccc1Br)C=CC(=O)CCCC(C)O 1458a_100016267305_200000718107 [1,1,0,0,0,0|2,0,0]=4 401 B19R1.5220 COc1cc(ccc1Br)C=CC(=O)NCCC(C)O 240690a_200000755665_100016267305 [1,1,0,0,0,0|2,0,0]=4 402 B19R1.5220 COc1cc(ccc1O)C=CC(=O)CCCC(C)C 1458a_100000182119_100011214892 [1,1,0,0,0,0|2,0,0]=4 403 B19R1.5220 COc1cc(ccc1O)C=CC(=O)CCCC(C)O 1458a_100000182119_200000718107 [1,1,0,0,0,0|1,0,0]=3 404 B19R1.6259 CCCCOC(=O)CC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000211628 [1,1,0,0,0,0|1,0,1]=4 405 B19R1.6259 COc1cc(ccc1O)C(=O)CC(=O)CCCCO 1458a_100000695505_100010206313 [1,1,0,0,0,0|1,0,1]=4 406 B19R1.7177 CCCCCC(=O)C=Cc1ccc(c(c1)OC)OC 1458a_100015194992_100000210326 [1,1,0,0,0,0|2,0,0]=4 407 B19R1.7177 CCCCNC(=O)C=Cc1ccc(c(c1)OC)OC 11a_100000102301_100015194992 [1,1,0,0,0,0|2,0,0]=4 408 B19R1.7177 CCCCNC(=O)C=Cc1ccc(c(c1)OC)OC 1626a_100000102301_100015194992 [1,1,0,0,0,0|2,0,0]=4 409 B19R1.7177 CCCCNC(=O)C=Cc1ccc(c(c1)OC)OC 240690a_100000102301_100015194992 [1,1,0,0,0,0|2,0,0]=4 410 B19R1.7177 CCCCNC(=O)C=Cc1ccc(c(c1)OC)OC 527a_100000102301_100015194992 [1,1,0,0,0,0|2,0,0]=4 411 B19R1.7177 COc1ccc(cc1OC)C=CC(=O)CCCCF 1458a_100015194992_100000729493 [1,1,0,0,0,0|2,0,0]=4 412 B19R1.7177 COc1ccc(cc1OC)C=CC(=O)CCCCO 1458a_100015194992_100000210776 [1,1,0,0,0,0|1,0,0]=3 413 B19R1.7177 COc1ccc(cc1OC)C=CC(=O)NCCCF 11a_100015189416_100015194992 [1,1,0,0,0,0|2,0,0]=4 414 B19R1.7177 COc1ccc(cc1OC)C=CC(=O)NCCCF 1626a_100015189416_100015194992 [1,1,0,0,0,0|2,0,0]=4 415 B19R1.7177 COc1ccc(cc1OC)C=CC(=O)NCCCF 240690a_100015189416_100015194992 [1,1,0,0,0,0|2,0,0]=4 416 B19R1.7177 COc1ccc(cc1OC)C=CC(=O)NCCCF 527a_100015189416_100015194992 [1,1,0,0,0,0|2,0,0]=4 417 B19R1.7177 COc1ccc(cc1OC)C=CC(=O)NCCCO 240690a_100000182051_100015194992 [1,1,0,0,0,0|1,0,0]=3 418 B19R1.7177 COc1ccc(cc1OC)C=CC(=O)NCCCO 527a_100000182051_100015194992 [1,1,0,0,0,0|1,0,0]=3 419 B19R1.7177 COc1ccc(cc1OC)C=CC(=O)NNCCO 22a_100000210001_100015194992 [1,1,0,0,0,0|2,0,0]=4 420 B19R1.29387 C#CCCCCC(=O)C=Cc1ccc(c(c1)OC)O 1458a_100000182119_100010269958 [1,1,0,0,0,0|2,0,0]=4 421 B19R1.29387 C=CCCCCC(=O)C=Cc1ccc(c(c1)OC)O 1458a_100000182119_100011215482 [1,1,0,0,0,0|2,0,0]=4 422 B19R1.29387 CCCCCCC(=O)C=Cc1ccc(c(c1)OC)O 1458a_100000182119_100000210757 [1,1,0,0,0,0|2,0,0]=4 423 B19R1.29387 CCCCOCC(=O)C=Cc1ccc(c(c1)OC)Br 1458a_100016267305_100011995733 [1,1,0,0,0,0|2,0,0]=4 424 B19R1.29387 CCCCOCC(=O)C=Cc1ccc(c(c1)OC)O 1458a_100000182119_100011995733 [1,1,0,0,0,0|1,0,0]=3 425 B19R1.29387 CCCOCCC(=O)C=Cc1ccc(c(c1)OC)O 1458a_100000182119_100011215938 [1,1,0,0,0,0|2,0,0]=4 426 B19R1.29387 CCOCCCC(=O)C=Cc1ccc(c(c1)OC)O 1458a_100000182119_100012232248 [1,1,0,0,0,0|2,0,0]=4 427 B19R1.29387 COCCCCC(=O)C=Cc1ccc(c(c1)OC)Br 1458a_100016267305_100000755781 [1,1,0,0,0,0|2,0,0]=4 428 B19R1.29387 COCCCCC(=O)C=Cc1ccc(c(c1)OC)O 1458a_100000182119_100000755781 [1,1,0,0,0,0|1,0,0]=3 429 B19R1.29387 COCCCNC(=O)C=Cc1ccc(c(c1)OC)Br 1626a_100150723488_100016267305 [1,1,0,0,0,0|2,0,0]=4 430 B19R1.29387 COCCCNC(=O)C=Cc1ccc(c(c1)OC)Br 240690a_100150723488_100016267305 [1,1,0,0,0,0|2,0,0]=4 431 B19R1.29387 COc1cc(ccc1Br)C=CC(=O)CCCCCO 1458a_100016267305_100000746330 [1,1,0,0,0,0|2,0,0]=4 432 B19R1.29387 COc1cc(ccc1Br)C=CC(=O)CCOCCO 1458a_100016267305_100011215305 [1,1,0,0,0,0|2,0,0]=4 433 B19R1.29387 COc1cc(ccc1Br)C=CC(=O)NCCCCO 240690a_100000750430_100016267305 [1,1,0,0,0,0|2,0,0]=4 434 B19R1.29387 COc1cc(ccc1O)C=CC(=O)CCCCC#N 1458a_100000182119_100000211819 [1,1,0,0,0,0|2,0,0]=4 435 B19R1.29387 COc1cc(ccc1O)C=CC(=O)CCCCCF 1458a_100000182119_100000729378 [1,1,0,0,0,0|2,0,0]=4 436 B19R1.29387 COc1cc(ccc1O)C=CC(=O)CCCCCO 1458a_100000182119_100000746330 [1,1,0,0,0,0|1,0,0]=3 437 B19R1.29387 COc1cc(ccc1O)C=CC(=O)CCOCCO 1458a_100000182119_100011215305 [1,1,0,0,0,0|1,0,0]=3 438 B19R1.57148 CCCCC(C)C(=O)C=Cc1ccc(c(c1)OC)O 1458a_100000182119_200011215066 [1,1,0,0,0,0|2,0,0]=4 439 B19R1.57148 COc1cc(ccc1Br)C=CC(=O)N(C)CCCO 240690a_100000213112_100016267305 [1,1,0,0,0,0|2,0,0]=4 440 B19R1.58632 CCCC(C)CC(=O)C=Cc1ccc(c(c1)OC)O 1458a_100000182119_100011216630 [1,1,0,0,0,0|2,0,0]=4 441 B19R1.58632 COc1cc(ccc1Br)C=CC(=O)N[C@H](C)CCO 240690a_100000706166_100016267305 [1,1,0,0,0,0|2,0,0]=4 442 B19R1.105183 COc1c(ccc(c1F)C=CC(=O)CCCCO)Cl 1458a_100020621803_100000210776 [1,1,0,0,0,0|2,0,0]=4 443 B19R1.105183 COc1c(ccc(c1F)C=CC(=O)NCCCO)Cl 240690a_100000182051_100020621803 [1,1,0,0,0,0|2,0,0]=4 444 B19R1.557416 CCCCCC(=O)C=Cc1cc(c(c(c1)OC)O)Br 1458a_100015195021_100000210326 [1,1,0,0,0,0|2,0,0]=4 445 B19R1.557416 CCCCCC(=O)C=Cc1cc(c(c(c1)OC)O)Br 6a_100000186746_100011215151 [1,1,0,0,0,0|2,0,0]=4 446 B19R1.557416 CCCCCC(=O)C=Cc1cc(c(c(c1)OC)O)C 6a_100000050991_100011215151 [1,1,0,0,0,0|2,0,0]=4 447 B19R1.557416 CCCCCC(=O)C=Cc1cc(c(c(c1)OC)O)Cl 6a_100000010622_100011215151 [1,1,0,0,0,0|2,0,0]=4 448 B19R1.557416 CCCCCC(=O)C=Cc1cc(c(c(c1)OC)O)F 6a_100000039941_100011215151 [1,1,0,0,0,0|2,0,0]=4 449 B19R1.557416 CCCCCC(=O)C=Cc1cc(c(c(c1)OC)O)I 1458a_200021160827_100000210326 [1,1,0,0,0,0|2,0,0]=4 450 B19R1.557416 CCCCCC(=O)C=Cc1cc(c(c(c1)OC)O)I 6a_100000184534_100011215151 [1,1,0,0,0,0|2,0,0]=4 451 B19R1.557416 CCCCNC(=O)C=Cc1cc(c(c(c1)OC)O)Br 240690a_100000102301_100015195021 [1,1,0,0,0,0|2,0,0]=4 452 B19R1.557416 CCCCNC(=O)C=Cc1cc(c(c(c1)OC)O)I 240690a_100000102301_200021160827 [1,1,0,0,0,0|2,0,0]=4 453 B19R1.557416 COc1cc(cc(c1O)Br)C=CC(=O)CCCCBr 6a_100000186746_100009817362 [1,1,0,0,0,0|2,0,0]=4 454 B19R1.557416 COc1cc(cc(c1O)Br)C=CC(=O)CCCCCl 6a_100000186746_100000735457 [1,1,0,0,0,0|2,0,0]=4 455 B19R1.557416 COc1cc(cc(c1O)Br)C=CC(=O)CCCCF 1458a_100015195021_100000729493 [1,1,0,0,0,0|2,0,0]=4 456 B19R1.557416 COc1cc(cc(c1O)Br)C=CC(=O)CCCCO 1458a_100015195021_100000210776 [1,1,0,0,0,0|1,0,0]=3 457 B19R1.557416 COc1cc(cc(c1O)Br)C=CC(=O)NCCCF 240690a_100015189416_100015195021 [1,1,0,0,0,0|2,0,0]=4 458 B19R1.557416 COc1cc(cc(c1O)Br)C=CC(=O)NCCCO 240690a_100000182051_100015195021 [1,1,0,0,0,0|1,0,0]=3 459 B19R1.557416 COc1cc(cc(c1O)Br)C=CC(=O)NNCCO 22a_100000210001_100015195021 [1,1,0,0,0,0|2,0,0]=4 460 B19R1.557416 COc1cc(cc(c1O)C)C=CC(=O)CCCCBr 6a_100000050991_100009817362 [1,1,0,0,0,0|2,0,0]=4 461 B19R1.557416 COc1cc(cc(c1O)C)C=CC(=O)CCCCCl 6a_100000050991_100000735457 [1,1,0,0,0,0|2,0,0]=4 462 B19R1.557416 COc1cc(cc(c1O)Cl)C=CC(=O)CCCCBr 6a_100000010622_100009817362 [1,1,0,0,0,0|2,0,0]=4 463 B19R1.557416 COc1cc(cc(c1O)Cl)C=CC(=O)CCCCCl 6a_100000010622_100000735457 [1,1,0,0,0,0|2,0,0]=4 464 B19R1.557416 COc1cc(cc(c1O)F)C=CC(=O)CCCCBr 6a_100000039941_100009817362 [1,1,0,0,0,0|2,0,0]=4 465 B19R1.557416 COc1cc(cc(c1O)F)C=CC(=O)CCCCCl 6a_100000039941_100000735457 [1,1,0,0,0,0|2,0,0]=4 466 B19R1.557416 COc1cc(cc(c1O)I)C=CC(=O)CCCCBr 6a_100000184534_100009817362 [1,1,0,0,0,0|2,0,0]=4 467 B19R1.557416 COc1cc(cc(c1O)I)C=CC(=O)CCCCCl 6a_100000184534_100000735457 [1,1,0,0,0,0|2,0,0]=4 468 B19R1.557416 COc1cc(cc(c1O)I)C=CC(=O)CCCCF 1458a_200021160827_100000729493 [1,1,0,0,0,0|2,0,0]=4 469 B19R1.557416 COc1cc(cc(c1O)I)C=CC(=O)CCCCO 1458a_200021160827_100000210776 [1,1,0,0,0,0|1,0,0]=3 470 B19R1.557416 COc1cc(cc(c1O)I)C=CC(=O)NCCCF 240690a_100015189416_200021160827 [1,1,0,0,0,0|2,0,0]=4 471 B19R1.557416 COc1cc(cc(c1O)I)C=CC(=O)NCCCO 240690a_100000182051_200021160827 [1,1,0,0,0,0|1,0,0]=3 472 B19R1.557416 COc1cc(cc(c1O)I)C=CC(=O)NNCCO 22a_100000210001_200021160827 [1,1,0,0,0,0|2,0,0]=4 473 B19R1.5218 COc1cc(ccc1Br)C=CC(=O)N(C)CC(C)O 240690a_100000227577_100016267305 [1,1,0,0,0,0|2,0,0]=4 474 B19R1.5218 COc1cc(ccc1O)C=CC(=O)C(C)CC(C)C 1458a_100000182119_100000731052 [1,1,0,0,0,0|2,0,0]=4 475 B19R1.21123 COc1cc(cc(c1O)Br)C=CC(=O)CCC(C)C 1458a_100015195021_100000210312 [1,1,0,0,0,0|2,0,0]=4 476 B19R1.21123 COc1cc(cc(c1O)Br)C=CC(=O)CCC(C)C 6a_100000186746_100000210476 [1,1,0,0,0,0|2,0,0]=4 477 B19R1.21123 COc1cc(cc(c1O)Br)C=CC(=O)CCC(C)O 1458a_100015195021_100012276601 [1,1,0,0,0,0|1,0,0]=3 478 B19R1.21123 COc1cc(cc(c1O)Br)C=CC(=O)NCC(C)C 240690a_100000210953_100015195021 [1,1,0,0,0,0|2,0,0]=4 479 B19R1.21123 COc1cc(cc(c1O)Br)C=CC(=O)NCC(C)O 240690a_100000210904_100015195021 [1,1,0,0,0,0|1,0,0]=3 480 B19R1.21123 COc1cc(cc(c1O)C)C=CC(=O)CCC(C)C 6a_100000050991_100000210476 [1,1,0,0,0,0|2,0,0]=4 481 B19R1.21123 COc1cc(cc(c1O)Cl)C=CC(=O)CCC(C)C 6a_100000010622_100000210476 [1,1,0,0,0,0|2,0,0]=4 482 B19R1.21123 COc1cc(cc(c1O)F)C=CC(=O)CCC(C)C 6a_100000039941_100000210476 [1,1,0,0,0,0|2,0,0]=4 483 B19R1.21123 COc1cc(cc(c1O)I)C=CC(=O)CCC(C)C 1458a_200021160827_100000210312 [1,1,0,0,0,0|2,0,0]=4 484 B19R1.21123 COc1cc(cc(c1O)I)C=CC(=O)CCC(C)C 6a_100000184534_100000210476 [1,1,0,0,0,0|2,0,0]=4 485 B19R1.21123 COc1cc(cc(c1O)I)C=CC(=O)CCC(C)O 1458a_200021160827_100012276601 [1,1,0,0,0,0|1,0,0]=3 486 B19R1.21123 COc1cc(cc(c1O)I)C=CC(=O)NCC(C)C 240690a_100000210953_200021160827 [1,1,0,0,0,0|2,0,0]=4 487 B19R1.21123 COc1cc(cc(c1O)I)C=CC(=O)NCC(C)O 240690a_100000210904_200021160827 [1,1,0,0,0,0|1,0,0]=3 488 B19R1.89737 COc1cc(ccc1Br)C=CC(=O)NCC(C)(C)O 1626a_100000751335_100016267305 [1,1,0,0,0,0|2,0,0]=4 489 B19R1.89737 COc1cc(ccc1Br)C=CC(=O)NCC(C)(C)O 240690a_100000751335_100016267305 [1,1,0,0,0,0|2,0,0]=4 490 B19R1.89737 COc1cc(ccc1O)C=CC(=O)CCC(C)(C)C 1458a_100000182119_100000755188 [1,1,0,0,0,0|2,0,0]=4 491 B19R1.108346 COc1ccc(cc1OC)C=CC(=O)CCC(C)C 1458a_100015194992_100000210312 [1,1,0,0,0,0|2,0,0]=4 492 B19R1.108346 COc1ccc(cc1OC)C=CC(=O)CCC(C)O 1458a_100015194992_100012276601 [1,1,0,0,0,0|1,0,0]=3 493 B19R1.108346 COc1ccc(cc1OC)C=CC(=O)NCC(C)C 11a_100000210953_100015194992 [1,1,0,0,0,0|2,0,0]=4 494 B19R1.108346 COc1ccc(cc1OC)C=CC(=O)NCC(C)C 1626a_100000210953_100015194992 [1,1,0,0,0,0|2,0,0]=4 495 B19R1.108346 COc1ccc(cc1OC)C=CC(=O)NCC(C)C 240690a_100000210953_100015194992 [1,1,0,0,0,0|2,0,0]=4 496 B19R1.108346 COc1ccc(cc1OC)C=CC(=O)NCC(C)C 527a_100000210953_100015194992 [1,1,0,0,0,0|2,0,0]=4 497 B19R1.108346 COc1ccc(cc1OC)C=CC(=O)NCC(C)O 11a_100000210904_100015194992 [1,1,0,0,0,0|1,0,0]=3 498 B19R1.108346 COc1ccc(cc1OC)C=CC(=O)NCC(C)O 240690a_100000210904_100015194992 [1,1,0,0,0,0|1,0,0]=3 499 B19R1.108346 COc1ccc(cc1OC)C=CC(=O)NCC(C)O 527a_100000210904_100015194992 [1,1,0,0,0,0|1,0,0]=3 500 B19R1.134157 COc1c(ccc(c1F)C=CC(=O)CCC(C)O)Cl 1458a_100020621803_100012276601 [1,1,0,0,0,0|2,0,0]=4 501 B19R1.134157 COc1c(ccc(c1F)C=CC(=O)NCC(C)O)Cl 11a_100000210904_100020621803 [1,1,0,0,0,0|2,0,0]=4 502 B19R1.134157 COc1c(ccc(c1F)C=CC(=O)NCC(C)O)Cl 240690a_100000210904_100020621803 [1,1,0,0,0,0|2,0,0]=4 503 B19R1.37809 CN(CC(O)CO)C(=O)C=Cc1ccc(c(c1)Br)O 240690a_100011216503_200103079279 [1,1,0,0,0,0|2,0,0]=4 504 B19R1.37809 CN(CC(O)CO)C(=O)C=Cc1ccc(c(c1)Cl)O 240690a_100011216503_200103117615 [1,1,0,0,0,0|2,0,0]=4 505 B19R1.37809 CN(CC(O)CO)C(=O)C=Cc1ccc(c(c1)O)O 240690a_100011216503_100011195073 [1,1,0,0,0,0|1,0,0]=3 506 B19R1.37809 Cc1cc(ccc1F)C=CC(=O)N(C)CC(O)CO 240690a_100011216503_100016261966 [1,1,0,0,0,0|2,0,0]=4 507 B19R1.37809 Cc1ccc(cc1C)C=CC(=O)N(C)CC(O)CO 240690a_100011216503_100011338269 [1,1,0,0,0,0|2,0,0]=4 508 B19R1.42861 CC(C)C(O)CNC(=O)C=Cc1ccc(c(c1)O)O 240690a_100000759067_100011195073 [1,1,0,0,0,0|2,0,0]=4 509 B19R1.50091 Cc1cc(ccc1O)C(=O)CC(=O)NCC(O)CO 1458a_100000685612_200012027429 [1,1,0,0,0,0|1,0,1]=4 510 B19R1.50091 O=C(CC(=O)c1ccc(c(c1)O)O)NCC(O)CO 1458a_100000212155_200012027429 [1,1,0,0,0,0|1,0,1]=4 511 B19R1.108377 CCC(O)CNC(=O)C=Cc1ccc(c(c1)C)OC 11a_100011218483_100116352456 [1,1,0,0,0,0|2,0,0]=4 512 B19R1.108377 CCC(O)CNC(=O)C=Cc1ccc(c(c1)C)OC 240690a_100011218483_100116352456 [1,1,0,0,0,0|2,0,0]=4 513 B19R1.108377 COc1ccc(cc1Br)C=CC(=O)NC[C@H](O)CO 240690a_100020644852_200000186738 [1,1,0,0,0,0|2,0,0]=4 514 B19R1.108377 COc1ccc(cc1C)C=CC(=O)NCC(C)CO 240690a_100000744482_100116352456 [1,1,0,0,0,0|2,0,0]=4 515 B19R1.108377 COc1ccc(cc1C)C=CC(=O)NC[C@@H](F)CO 240690a_100015665980_100116352456 [1,1,0,0,0,0|2,0,0]=4 516 B19R1.108377 COc1ccc(cc1C)C=CC(=O)NC[C@H](O)CO 240690a_100020644852_100116352456 [1,1,0,0,0,0|1,0,0]=3 517 B19R1.108377 COc1ccc(cc1Cl)C=CC(=O)NC[C@H](O)CO 240690a_100020644852_100000735007 [1,1,0,0,0,0|2,0,0]=4 518 B19R1.108377 COc1ccc(cc1F)C=CC(=O)NC[C@H](O)CO 240690a_100020644852_100102526129 [1,1,0,0,0,0|2,0,0]=4 519 B19R1.111823 COCC(O)CNC(=O)C=Cc1ccc(c(c1)Br)O 240690a_100000756049_200103079279 [1,1,0,0,0,0|2,0,0]=4 520 B19R1.111823 COCC(O)CNC(=O)C=Cc1ccc(c(c1)C)C 240690a_100000756049_100011338269 [1,1,0,0,0,0|2,0,0]=4 521 B19R1.111823 COCC(O)CNC(=O)C=Cc1ccc(c(c1)C)F 240690a_100000756049_100016261966 [1,1,0,0,0,0|2,0,0]=4 522 B19R1.111823 COCC(O)CNC(=O)C=Cc1ccc(c(c1)Cl)O 240690a_100000756049_200103117615 [1,1,0,0,0,0|2,0,0]=4 523 B19R1.111823 COCC(O)CNC(=O)C=Cc1ccc(c(c1)O)O 240690a_100000756049_100011195073 [1,1,0,0,0,0|1,0,0]=3 524 B19R1.157731 Cc1cc(c(cc1C)C=CC(=O)NC[C@H](O)CO)C 240690a_100020644852_100000739386 [1,1,0,0,0,0|2,0,0]=4 525 B19R1.238612 CC(C)(CO)CNC(=O)C=Cc1ccc(c(c1)O)O 240690a_100020635058_100011195073 [1,1,0,0,0,0|2,0,0]=4 526 B19R1.238612 O=C(C=Cc1ccc(c(c1)O)O)NCC(F)(F)CO 240690a_100000703232_100011195073 [1,1,0,0,0,0|2,0,0]=4 527 B19R1.332854 CCC(CNC(=O)C=Cc1ccc(c(c1)O)O)OC 240690a_100000731041_100011195073 [1,1,0,0,0,0|2,0,0]=4 528 B19R1.6884 COc1cccc(c1)C(=O)CC(=O)NCC(O)CO 1458a_100000188888_200012027429 [1,1,0,0,0,0|1,0,1]=4 529 B19R1.6892 COc1cccc(c1)NC(=O)C(=O)NC[C@H](O)CO 240690a_100020644852_200011297338 [1,1,0,0,0,0|2,0,0]=4 530 B19R1.29089 CCOc1cccc(c1)C=CC(=O)NCC(C)CO 240690a_100000744482_100011214976 [1,1,0,0,0,0|2,0,0]=4 531 B19R1.29089 CCOc1cccc(c1)C=CC(=O)NCC(O)CC 11a_100011218483_100011214976 [1,1,0,0,0,0|2,0,0]=4 532 B19R1.29089 CCOc1cccc(c1)C=CC(=O)NCC(O)CC 240690a_100011218483_100011214976 [1,1,0,0,0,0|2,0,0]=4 533 B19R1.29089 CCOc1cccc(c1)C=CC(=O)NC[C@@H](F)CO 240690a_100015665980_100011214976 [1,1,0,0,0,0|2,0,0]=4 534 B19R1.29089 CCOc1cccc(c1)C=CC(=O)NC[C@H](O)CO 240690a_100020644852_100011214976 [1,1,0,0,0,0|1,0,0]=3 535 B19R1.5222 CCC(CC)CC(=O)C=Cc1ccc(c(c1)OC)O 1458a_100000182119_100011215472 [0,1,0,0,1,0|2,0,0]=4 536 B19R1.5222 COc1cc(ccc1Br)C=CC(=O)NC(CO)CO 240690a_100000759517_100016267305 [0,1,0,0,1,0|2,0,0]=4 537 B19R1.5222 COc1cc(ccc1O)C=CC(=O)CC(OC)OC 1458a_100000182119_100000751394 [0,1,0,0,1,0|2,0,0]=4 538 B19R1.5223 COc1cc(ccc1O)CCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100010741665 [0,1,0,0,1,0|0,0,2]=4 539 B19R1.5223 COc1cc(ccc1O)CNC(=O)[C@H](O)[C@H](O)CO 240690a_100000185554_100015448053 [0,1,0,0,1,0|1,0,1]=4 540 B19R1.21989 CCC(C)CC(=O)C=Cc1cc(c(c(c1)OC)O)Br 1458a_100015195021_100000748023 [0,1,0,0,1,0|2,0,0]=4 541 B19R1.21989 CCC(C)CC(=O)C=Cc1cc(c(c(c1)OC)O)Br 6a_100000186746_100011710205 [0,1,0,0,1,0|2,0,0]=4 542 B19R1.21989 CCC(C)CC(=O)C=Cc1cc(c(c(c1)OC)O)C 6a_100000050991_100011710205 [0,1,0,0,1,0|2,0,0]=4 543 B19R1.21989 CCC(C)CC(=O)C=Cc1cc(c(c(c1)OC)O)Cl 6a_100000010622_100011710205 [0,1,0,0,1,0|2,0,0]=4 544 B19R1.21989 CCC(C)CC(=O)C=Cc1cc(c(c(c1)OC)O)F 6a_100000039941_100011710205 [0,1,0,0,1,0|2,0,0]=4 545 B19R1.21989 CCC(C)CC(=O)C=Cc1cc(c(c(c1)OC)O)I 1458a_200021160827_100000748023 [0,1,0,0,1,0|2,0,0]=4 546 B19R1.21989 CCC(C)CC(=O)C=Cc1cc(c(c(c1)OC)O)I 6a_100000184534_100011710205 [0,1,0,0,1,0|2,0,0]=4 547 B19R1.21989 CCC(O)CC(=O)C=Cc1cc(c(c(c1)OC)O)Br 1458a_100015195021_100011218378 [0,1,0,0,1,0|1,0,0]=3 548 B19R1.21989 CCC(O)CC(=O)C=Cc1cc(c(c(c1)OC)O)I 1458a_200021160827_100011218378 [0,1,0,0,1,0|1,0,0]=3 549 B19R1.21989 CC[C@H](C)CC(=O)C=Cc1cc(c(c(c1)OC)O)Br 1458a_100015195021_100009816398 [0,1,0,0,1,0|2,0,0]=4 550 B19R1.21989 CC[C@H](C)CC(=O)C=Cc1cc(c(c(c1)OC)O)I 1458a_200021160827_100009816398 [0,1,0,0,1,0|2,0,0]=4 551 B19R1.21989 COc1cc(cc(c1O)Br)C=CC(=O)C[C@@H](C)CO 1458a_100015195021_100000059175 [0,1,0,0,1,0|1,0,0]=3 552 B19R1.21989 COc1cc(cc(c1O)Br)C=CC(=O)N[C@H](C)CO 240690a_100000737577_100015195021 [0,1,0,0,1,0|2,0,0]=4 553 B19R1.21989 COc1cc(cc(c1O)I)C=CC(=O)C[C@@H](C)CO 1458a_200021160827_100000059175 [0,1,0,0,1,0|1,0,0]=3 554 B19R1.21989 COc1cc(cc(c1O)I)C=CC(=O)N[C@H](C)CO 240690a_100000737577_200021160827 [0,1,0,0,1,0|2,0,0]=4 555 B19R1.90125 CCC(O)CC(=O)CC(=O)c1ccc(c(c1)OC)O 1458a_100011667805_100010206313 [0,1,0,0,1,0|1,0,1]=4 556 B19R1.461928 CCC(C)CC(=O)C=Cc1ccc(c(c1)OC)OC 1458a_100015194992_100000748023 [0,1,0,0,1,0|2,0,0]=4 557 B19R1.461928 CCC(O)CC(=O)C=Cc1ccc(c(c1)OC)OC 1458a_100015194992_100011218378 [0,1,0,0,1,0|1,0,0]=3 558 B19R1.461928 CC[C@H](C)CC(=O)C=Cc1ccc(c(c1)OC)OC 1458a_100015194992_100009816398 [0,1,0,0,1,0|2,0,0]=4 559 B19R1.461928 COc1ccc(cc1OC)C=CC(=O)C[C@@H](C)CO 1458a_100015194992_100000059175 [0,1,0,0,1,0|1,0,0]=3 560 B19R1.461928 COc1ccc(cc1OC)C=CC(=O)N[C@H](C)CO 240690a_100000737577_100015194992 [0,1,0,0,1,0|2,0,0]=4 561 B19R1.461928 COc1ccc(cc1OC)C=CC(=O)N[C@H](C)CO 527a_100000737577_100015194992 [0,1,0,0,1,0|2,0,0]=4 562 B19R1.814171 CCC(O)CC(=O)C=Cc1ccc(c(c1F)OC)Cl 1458a_100020621803_100011218378 [0,1,0,0,1,0|2,0,0]=4 563 B19R1.814171 COc1c(ccc(c1F)C=CC(=O)C[C@@H](C)CO)Cl 1458a_100020621803_100000059175 [0,1,0,0,1,0|2,0,0]=4 564 B19R1.5196 COc1cc(ccc1O)C(O)C(=O)NC[C@H](O)CO 240690a_100020644852_100000036414 [0,1,0,0,1,0|1,0,1]=4 565 B19R1.21156 COc1cc(cc(c1O)Br)CC(=O)NC[C@H](O)CO 240690a_100020644852_100009814412 [0,1,0,0,1,0|1,0,1]=4 566 B19R1.21156 COc1cc(cc(c1O)Br)CC(=O)NC[C@H](O)CO 527a_100020644852_100009814412 [0,1,0,0,1,0|1,0,1]=4 567 B19R1.27554 CCOc1cc(ccc1O)CC(=O)NC[C@H](O)CO 240690a_100020644852_200000048972 [0,1,0,0,1,0|1,0,1]=4 568 B19R1.27554 CCOc1cc(ccc1O)CC(=O)NC[C@H](O)CO 527a_100020644852_200000048972 [0,1,0,0,1,0|1,0,1]=4 569 B19R1.39395 COCC(O)CNC(=O)Cc1ccc(c(c1)OC)O 240690a_100000756049_100000032101 [0,1,0,0,1,0|1,0,1]=4 570 B19R1.39395 COCC(O)CNC(=O)Cc1ccc(c(c1)OC)O 527a_100000756049_100000032101 [0,1,0,0,1,0|1,0,1]=4 571 B19R1.39395 COCC(O)CNC(=O)Nc1ccc(c(c1)OC)O 2430a_100000726020_100000756049 [0,1,0,0,1,0|2,0,0]=4 572 B19R1.52898 COc1cc(c(cc1O)Br)CC(=O)NC[C@H](O)CO 240690a_100020644852_100009814189 [0,1,0,0,1,0|1,0,1]=4 573 B19R1.108351 COc1cc(ccc1CO)NC(=O)NC[C@H](O)CO 2430a_100012183141_100020644852 [0,1,0,0,1,0|2,0,0]=4 574 B19R1.108351 COc1ccc(cc1OC)CC(=O)NC[C@H](O)CO 240690a_100020644852_100000184093 [0,1,0,0,1,0|1,0,1]=4 575 B19R1.108351 COc1ccc(cc1OC)CC(=O)NC[C@H](O)CO 527a_100020644852_100000184093 [0,1,0,0,1,0|1,0,1]=4 576 B19R1.108351 COc1ccc(cc1OC)NC(=O)NC[C@H](O)CO 2430a_100000187404_100020644852 [0,1,0,0,1,0|2,0,0]=4 577 B21R1.158706 COc1cc(ccc1O)CC(=O)CC(=O)NCC(O)CO 1458a_100000032101_200012027429 [0,1,0,0,0,1|1,0,1]=4 578 B21R1.25666 CCC(O)CNNC(=O)C=Cc1cc(c(c(c1)OC)O)Br 22a_100015206393_100015195021 [0,1,0,0,0,1|2,0,0]=4 579 B21R1.25666 CCC(O)CNNC(=O)C=Cc1cc(c(c(c1)OC)O)I 22a_100015206393_200021160827 [0,1,0,0,0,1|2,0,0]=4 580 B21R1.25666 COc1cc(cc(c1O)Br)C=CC(=O)NCCC(C)CO 240690a_106354213184_100015195021 [0,1,0,0,0,1|2,0,0]=4 581 B21R1.25666 COc1cc(cc(c1O)I)C=CC(=O)NCCC(C)CO 240690a_106354213184_200021160827 [0,1,0,0,0,1|2,0,0]=4 582 B21R1.130579 CCC(O)CNNC(=O)C=Cc1ccc(c(c1)OC)OC 22a_100015206393_100015194992 [0,1,0,0,0,1|2,0,0]=4 583 B21R1.130579 COc1ccc(cc1OC)C=CC(=O)NCCC(C)CO 240690a_106354213184_100015194992 [0,1,0,0,0,1|2,0,0]=4 584 B21R1.130579 COc1ccc(cc1OC)C=CC(=O)NCCC(C)CO 527a_106354213184_100015194992 [0,1,0,0,0,1|2,0,0]=4 585 B21R1.25638 COc1cc(cc(c1O)Cl)C(=O)CC(=O)NCC(O)CO 1458a_100000209947_200012027429 [0,2,0,0,0,0|1,0,1]=4 586 B21R1.25638 COc1cc(cc(c1O)O)C(=O)CC(=O)NCC(O)CO 1458a_100000061230_200012027429 [0,2,0,0,0,0|1,0,1]=4 587 B21R1.25665 COc1cc(cc(c1O)Br)C=CC(=O)NCC(O)C(C)C 240690a_100000759067_100015195021 [0,2,0,0,0,0|2,0,0]=4 588 B21R1.25665 COc1cc(cc(c1O)I)C=CC(=O)NCC(O)C(C)C 240690a_100000759067_200021160827 [0,2,0,0,0,0|2,0,0]=4 589 B21R1.25667 CCC(CNC(=O)C=Cc1cc(c(c(c1)OC)O)Br)OC 240690a_100000731041_100015195021 [0,2,0,0,0,0|2,0,0]=4 590 B21R1.25667 CCC(CNC(=O)C=Cc1cc(c(c(c1)OC)O)I)OC 240690a_100000731041_200021160827 [0,2,0,0,0,0|2,0,0]=4 591 B21R1.25861 CCC(O)CNC(=O)C=Cc1cc(c(c(c1)OC)OC)Cl 11a_100011218483_100000184590 [0,2,0,0,0,0|2,0,0]=4 592 B21R1.25861 CCC(O)CNC(=O)C=Cc1cc(c(c(c1)OC)OC)Cl 240690a_100011218483_100000184590 [0,2,0,0,0,0|2,0,0]=4 593 B21R1.25861 COc1cc(cc(c1OC)Cl)C=CC(=O)NCC(C)CO 240690a_100000744482_100000184590 [0,2,0,0,0,0|2,0,0]=4 594 B21R1.25861 COc1cc(cc(c1OC)Cl)C=CC(=O)NC[C@@H](F)CO 240690a_100015665980_100000184590 [0,2,0,0,0,0|2,0,0]=4 595 B21R1.25861 COc1cc(cc(c1OC)Cl)C=CC(=O)NC[C@H](O)CO 240690a_100020644852_100000184590 [0,2,0,0,0,0|1,0,0]=3 596 B21R1.26289 CCC(O)CNC(=O)C=Cc1cc(c(c(c1)OC)O)OC 240690a_100011218483_100000764192 [0,2,0,0,0,0|2,0,0]=4 597 B21R1.26289 COc1cc(cc(c1O)OC)C=CC(=O)NCC(C)CO 240690a_100000744482_100000764192 [0,2,0,0,0,0|2,0,0]=4 598 B21R1.26289 COc1cc(cc(c1O)OC)C=CC(=O)NC[C@@H](F)CO 240690a_100015665980_100000764192 [0,2,0,0,0,0|2,0,0]=4 599 B21R1.26289 COc1cc(cc(c1O)OC)C=CC(=O)NC[C@H](O)CO 240690a_100020644852_100000764192 [0,2,0,0,0,0|1,0,0]=3 600 B21R1.115413 CCOc1cc(cc(c1O)Cl)C=CC(=O)NCC(C)CO 240690a_100000744482_100015194376 [0,2,0,0,0,0|2,0,0]=4 601 B21R1.115413 CCOc1cc(cc(c1O)Cl)C=CC(=O)NCC(O)CC 240690a_100011218483_100015194376 [0,2,0,0,0,0|2,0,0]=4 602 B21R1.115413 CCOc1cc(cc(c1O)Cl)C=CC(=O)NC[C@@H](F)CO 240690a_100015665980_100015194376 [0,2,0,0,0,0|2,0,0]=4 603 B21R1.115413 CCOc1cc(cc(c1O)Cl)C=CC(=O)NC[C@H](O)CO 240690a_100020644852_100015194376 [0,2,0,0,0,0|1,0,0]=3 604 B21R1.548877 COc1cc(cc(c1O)Br)C=CC(=O)NCC(C)(C)CO 240690a_100020635058_100015195021 [0,2,0,0,0,0|2,0,0]=4 605 B21R1.548877 COc1cc(cc(c1O)Br)C=CC(=O)NCC(F)(F)CO 240690a_100000703232_100015195021 [0,2,0,0,0,0|2,0,0]=4 606 B21R1.548877 COc1cc(cc(c1O)I)C=CC(=O)NCC(C)(C)CO 240690a_100020635058_200021160827 [0,2,0,0,0,0|2,0,0]=4 607 B21R1.548877 COc1cc(cc(c1O)I)C=CC(=O)NCC(F)(F)CO 240690a_100000703232_200021160827 [0,2,0,0,0,0|2,0,0]=4 608 B21R1.552073 COc1cc(cc(c1O)Br)C=CC(=O)N(C)CC(O)CO 240690a_100011216503_100015195021 [0,2,0,0,0,0|1,0,0]=3 609 B21R1.552073 COc1cc(cc(c1O)I)C=CC(=O)N(C)CC(O)CO 240690a_100011216503_200021160827 [0,2,0,0,0,0|1,0,0]=3 610 B21R1.841399 COCC(O)CNC(=O)C=Cc1cc(c(c(c1)OC)O)Br 240690a_100000756049_100015195021 [0,2,0,0,0,0|1,0,0]=3 611 B21R1.841399 COCC(O)CNC(=O)C=Cc1cc(c(c(c1)OC)O)I 240690a_100000756049_200021160827 [0,2,0,0,0,0|1,0,0]=3 612 B21R1.491447 CCOc1cc(ccc1OC)C=CC(=O)NCC(C)CO 240690a_100000744482_100000184759 [0,2,0,0,0,0|2,0,0]=4 613 B21R1.491447 CCOc1cc(ccc1OC)C=CC(=O)NCC(O)CC 11a_100011218483_100000184759 [0,2,0,0,0,0|2,0,0]=4 614 B21R1.491447 CCOc1cc(ccc1OC)C=CC(=O)NCC(O)CC 240690a_100011218483_100000184759 [0,2,0,0,0,0|2,0,0]=4 615 B21R1.491447 CCOc1cc(ccc1OC)C=CC(=O)NC[C@@H](F)CO 240690a_100015665980_100000184759 [0,2,0,0,0,0|2,0,0]=4 616 B21R1.491447 CCOc1cc(ccc1OC)C=CC(=O)NC[C@H](O)CO 240690a_100020644852_100000184759 [0,2,0,0,0,0|1,0,0]=3 617 B21R1.635004 CCOc1cc(ccc1O)C(=O)CC(=O)NCC(O)CO 1458a_100011260950_200012027429 [0,2,0,0,0,0|1,0,1]=4 618 B21R1.3273552 CCOc1c(ccc(c1F)C=CC(=O)NC[C@H](O)CO)Cl 240690a_100020644852_200010116263 [0,2,0,0,0,0|2,0,0]=4 619 B21R1.3273552 CCOc1c(ccc(c1F)C=CC(=O)NC[C@H](O)CO)F 240690a_100020644852_100000061557 [0,2,0,0,0,0|2,0,0]=4 620 B21R1.832805 COCC(O)CN(C)C(=O)C=Cc1ccc(c(c1)OC)Br 240690a_100000739405_100016267305 [0,2,0,0,0,0|2,0,0]=4 621 B21R1.1834839 COc1ccc(cc1OC)C=CC(=O)N(C)CC(O)CO 240690a_100011216503_100015194992 [0,2,0,0,0,0|1,0,0]=3 622 B21R1.1834839 COc1ccc(cc1OC)C=CC(=O)N(C)CC(O)CO 527a_100011216503_100015194992 [0,2,0,0,0,0|1,0,0]=3 623 B21R1.4251862 COc1c(ccc(c1F)C=CC(=O)N(C)CC(O)CO)Cl 240690a_100011216503_100020621803 [0,2,0,0,0,0|2,0,0]=4 624 B21R1.130551 COc1ccc(cc1OC)C(=O)CC(=O)NCC(O)CO 1458a_100000211223_200012027429 [0,2,0,0,0,0|1,0,1]=4 625 B21R1.130578 COc1ccc(cc1OC)C=CC(=O)NCC(O)C(C)C 11a_100000759067_100015194992 [0,2,0,0,0,0|2,0,0]=4 626 B21R1.130578 COc1ccc(cc1OC)C=CC(=O)NCC(O)C(C)C 240690a_100000759067_100015194992 [0,2,0,0,0,0|2,0,0]=4 627 B21R1.130578 COc1ccc(cc1OC)C=CC(=O)NCC(O)C(C)C 527a_100000759067_100015194992 [0,2,0,0,0,0|2,0,0]=4 628 B21R1.130580 CCC(CNC(=O)C=Cc1ccc(c(c1)OC)OC)OC 11a_100000731041_100015194992 [0,2,0,0,0,0|2,0,0]=4 629 B21R1.130580 CCC(CNC(=O)C=Cc1ccc(c(c1)OC)OC)OC 1626a_100000731041_100015194992 [0,2,0,0,0,0|2,0,0]=4 630 B21R1.130580 CCC(CNC(=O)C=Cc1ccc(c(c1)OC)OC)OC 240690a_100000731041_100015194992 [0,2,0,0,0,0|2,0,0]=4 631 B21R1.130580 CCC(CNC(=O)C=Cc1ccc(c(c1)OC)OC)OC 527a_100000731041_100015194992 [0,2,0,0,0,0|2,0,0]=4 632 B21R1.684264 CCOCC(O)CNC(=O)C=Cc1ccc(c(c1)OC)Br 240690a_102515437182_100016267305 [0,2,0,0,0,0|2,0,0]=4 633 B21R1.697259 COCC(O)CNC(=O)C=Cc1ccc(c(c1)OC)OC 240690a_100000756049_100015194992 [0,2,0,0,0,0|1,0,0]=3 634 B21R1.697259 COCC(O)CNC(=O)C=Cc1ccc(c(c1)OC)OC 527a_100000756049_100015194992 [0,2,0,0,0,0|1,0,0]=3 635 B21R1.6653677 COCC(O)CNC(=O)C=Cc1ccc(c(c1F)OC)Cl 240690a_100000756049_100020621803 [0,2,0,0,0,0|2,0,0]=4 636 B21R1.1138947 CCC(O)CNC(=O)C=Cc1ccc(c(c1Cl)OC)OC 11a_100011218483_200020587463 [0,2,0,0,0,0|2,0,0]=4 637 B21R1.1138947 CCC(O)CNC(=O)C=Cc1ccc(c(c1Cl)OC)OC 240690a_100011218483_200020587463 [0,2,0,0,0,0|2,0,0]=4 638 B21R1.1138947 COc1ccc(c(c1OC)Cl)C=CC(=O)NCC(C)CO 240690a_100000744482_200020587463 [0,2,0,0,0,0|2,0,0]=4 639 B21R1.1138947 COc1ccc(c(c1OC)Cl)C=CC(=O)NC[C@@H](F)CO 240690a_100015665980_200020587463 [0,2,0,0,0,0|2,0,0]=4 640 B21R1.1138947 COc1ccc(c(c1OC)Cl)C=CC(=O)NC[C@H](O)CO 240690a_100020644852_200020587463 [0,2,0,0,0,0|1,0,0]=3 641 B21R1.446945 CCOc1ccc(cc1OC)C=CC(=O)NCC(C)CO 240690a_100000744482_100000179813 [0,2,0,0,0,0|2,0,0]=4 642 B21R1.446945 CCOc1ccc(cc1OC)C=CC(=O)NCC(O)CC 11a_100011218483_100000179813 [0,2,0,0,0,0|2,0,0]=4 643 B21R1.446945 CCOc1ccc(cc1OC)C=CC(=O)NCC(O)CC 240690a_100011218483_100000179813 [0,2,0,0,0,0|2,0,0]=4 644 B21R1.446945 CCOc1ccc(cc1OC)C=CC(=O)NC[C@@H](F)CO 240690a_100015665980_100000179813 [0,2,0,0,0,0|2,0,0]=4 645 B21R1.446945 CCOc1ccc(cc1OC)C=CC(=O)NC[C@H](O)CO 240690a_100020644852_100000179813 [0,2,0,0,0,0|1,0,0]=3 646 B21R1.1133765 CCC(O)CNC(=O)C=Cc1cc(c(cc1Br)OC)OC 11a_100011218483_200000186731 [0,2,0,0,0,0|2,0,0]=4 647 B21R1.1133765 CCC(O)CNC(=O)C=Cc1cc(c(cc1Br)OC)OC 240690a_100011218483_200000186731 [0,2,0,0,0,0|2,0,0]=4 648 B21R1.1133765 COc1cc(c(cc1OC)C=CC(=O)NCC(C)CO)Br 240690a_100000744482_200000186731 [0,2,0,0,0,0|2,0,0]=4 649 B21R1.1133765 COc1cc(c(cc1OC)C=CC(=O)NC[C@@H](F)CO)Br 240690a_100015665980_200000186731 [0,2,0,0,0,0|2,0,0]=4 650 B21R1.1133765 COc1cc(c(cc1OC)C=CC(=O)NC[C@H](O)CO)Br 240690a_100020644852_200000186731 [0,2,0,0,0,0|1,0,0]=3 651 B21R1.3455020 COc1ccc(cc1OC)C=CC(=O)NCC(C)(C)CO 240690a_100020635058_100015194992 [0,2,0,0,0,0|2,0,0]=4 652 B21R1.3455020 COc1ccc(cc1OC)C=CC(=O)NCC(C)(C)CO 527a_100020635058_100015194992 [0,2,0,0,0,0|2,0,0]=4 653 B21R1.3455020 COc1ccc(cc1OC)C=CC(=O)NCC(F)(F)CO 240690a_100000703232_100015194992 [0,2,0,0,0,0|2,0,0]=4 654 B21R1.3455020 COc1ccc(cc1OC)C=CC(=O)NCC(F)(F)CO 527a_100000703232_100015194992 [0,2,0,0,0,0|2,0,0]=4 655 B19R2.2837 COc1cc(ccc1O)C=CC(=O)C2CCCC2 1458a_100000182119_100000179811 [1,0,0,1,0,0|2,0,0]=4 656 B19R2.27411 CCCCCC(=O)C=Cc1ccc2c(c1)OCO2 1458a_100000182195_100000210326 [1,0,0,1,0,0|2,0,0]=4 657 B19R2.27411 CCCCNC(=O)C=Cc1ccc2c(c1)OCO2 11a_100000102301_100000182195 [1,0,0,1,0,0|2,0,0]=4 658 B19R2.27411 CCCCNC(=O)C=Cc1ccc2c(c1)OCO2 1626a_100000102301_100000182195 [1,0,0,1,0,0|2,0,0]=4 659 B19R2.27411 O=C(C=Cc1ccc2c(c1)CCO2)CCCCO 1458a_100000241297_100000210776 [1,0,0,1,0,0|2,0,0]=4 660 B19R2.27411 O=C(C=Cc1ccc2c(c1)CCO2)NCCCO 240690a_100000182051_100000241297 [1,0,0,1,0,0|2,0,0]=4 661 B19R2.27411 O=C(C=Cc1ccc2c(c1)OCO2)CCCCF 1458a_100000182195_100000729493 [1,0,0,1,0,0|2,0,0]=4 662 B19R2.27411 O=C(C=Cc1ccc2c(c1)OCO2)CCCCO 1458a_100000182195_100000210776 [1,0,0,1,0,0|1,0,0]=3 663 B19R2.27411 O=C(C=Cc1ccc2c(c1)OCO2)NCCCF 11a_100015189416_100000182195 [1,0,0,1,0,0|2,0,0]=4 664 B19R2.27411 O=C(C=Cc1ccc2c(c1)OCO2)NCCCF 1626a_100015189416_100000182195 [1,0,0,1,0,0|2,0,0]=4 665 B19R2.27411 O=C(C=Cc1ccc2c(c1)OCO2)NNCCO 22a_100000210001_100000182195 [1,0,0,1,0,0|2,0,0]=4 666 B19R2.270587 COc1cc(ccc1Br)C=CC(=O)CCC2CO2 1458a_100016267305_100000732470 [1,0,0,1,0,0|2,0,0]=4 667 B19R2.270587 COc1cc(ccc1O)C=CC(=O)CCC2CC2 1458a_100000182119_100000694398 [1,0,0,1,0,0|2,0,0]=4 668 B19R2.270587 COc1cc(ccc1O)C=CC(=O)CCC2CO2 1458a_100000182119_100000732470 [1,0,0,1,0,0|1,0,0]=3 669 B19R2.271249 COc1cc(ccc1Br)C=CC(=O)CC2CCO2 1458a_100016267305_100000103362 [1,0,0,1,0,0|2,0,0]=4 670 B19R2.271249 COc1cc(ccc1O)C=CC(=O)CC2CCC2 1458a_100000182119_100000763275 [1,0,0,1,0,0|2,0,0]=4 671 B19R2.271249 COc1cc(ccc1O)C=CC(=O)CC2CCO2 1458a_100000182119_100000103362 [1,0,0,1,0,0|1,0,0]=3 672 B19R2.21886 COc1cc(ccc1Br)C=CC(=O)N2CC(C2)O 11a_100000749847_100016267305 [1,0,0,1,0,0|2,0,0]=4 673 B19R2.21886 COc1cc(ccc1Br)C=CC(=O)N2CC(C2)O 240690a_100000749847_100016267305 [1,0,0,1,0,0|2,0,0]=4 674 B19R2.513892 CC(C)CCC(=O)C=Cc1ccc2c(c1)OCO2 1458a_100000182195_100000210312 [1,0,0,1,0,0|2,0,0]=4 675 B19R2.513892 CC(C)CNC(=O)C=Cc1ccc2c(c1)OCO2 11a_100000210953_100000182195 [1,0,0,1,0,0|2,0,0]=4 676 B19R2.513892 CC(C)CNC(=O)C=Cc1ccc2c(c1)OCO2 1626a_100000210953_100000182195 [1,0,0,1,0,0|2,0,0]=4 677 B19R2.513892 CC(O)CCC(=O)C=Cc1ccc2c(c1)CCO2 1458a_100000241297_100012276601 [1,0,0,1,0,0|2,0,0]=4 678 B19R2.513892 CC(O)CCC(=O)C=Cc1ccc2c(c1)OCO2 1458a_100000182195_100012276601 [1,0,0,1,0,0|1,0,0]=3 679 B19R2.513892 CC(O)CNC(=O)C=Cc1ccc2c(c1)CCO2 11a_100000210904_100000241297 [1,0,0,1,0,0|2,0,0]=4 680 B19R2.513892 CC(O)CNC(=O)C=Cc1ccc2c(c1)CCO2 240690a_100000210904_100000241297 [1,0,0,1,0,0|2,0,0]=4 681 B19R2.513892 CC(O)CNC(=O)C=Cc1ccc2c(c1)OCO2 11a_100000210904_100000182195 [1,0,0,1,0,0|1,0,0]=3 682 B19R2.45606 O=C(C=Cc1ccc(c(c1)O)O)N2CCC(C2)O 240690a_100011215560_100011195073 [1,0,0,1,0,0|2,0,0]=4 683 B19R2.150509 O=C(C=Cc1ccc(c(c1)O)O)NCC2(CC2)O 240690a_100011936951_100011195073 [1,0,0,1,0,0|2,0,0]=4 684 B19R2.165724 Cc1c(ccc2c1nc(cc2)OCC(O)CO)Cl 34a_100000697521_100011219619 [1,0,0,1,0,0|2,0,0]=4 685 B19R2.165724 Cc1c(ccc2c1nc(cc2)OC[C@@H](O)CO)Cl 34a_100000697521_100009815848 [1,0,0,1,0,0|2,0,0]=4 686 B19R2.189461 O=C(C=Cc1ccc(c(c1)O)O)N2CC(C2)CO 240690a_100016987283_100011195073 [1,0,0,1,0,0|2,0,0]=4 687 B19R2.1288038 C[C@H]1[C@H](CN1C(=O)C=Cc2ccc(c(c2)O)O)O 240690a_206633788156_100011195073 [1,0,0,1,0,0|2,0,0]=4 688 B19R2.1288040 O=C(C=Cc1ccc(c(c1)O)O)NCC2COC2 240690a_100015281925_100011195073 [1,0,0,1,0,0|2,0,0]=4 689 B19R2.1288040 O=C(C=Cc1ccc(c(c1)O)O)NC[C@@H]2CCO2 240690a_100020831831_100011195073 [1,0,0,1,0,0|2,0,0]=4 690 B19R2.1458529 COc1cccc2c1nc(cc2)NC[C@H](O)CO 27a_100020644852_200011787714 [1,0,0,1,0,0|2,0,0]=4 691 B19R2.1458529 COc1cccc2c1nc(cc2)SCC(O)CO 62a_100011219619_200011787714 [1,0,0,1,0,0|1,1,0]=4 692 B19R2.1458529 COc1cccc2c1nc(cc2)SC[C@@H](O)CO 62a_100009815848_200011787714 [1,0,0,1,0,0|1,1,0]=4 693 B19R2.1630704 CCC(O)COc1ccc2cc(ccc2c1)OC 34a_100000039947_100011218378 [1,0,0,1,0,0|2,0,0]=4 694 B19R2.1630704 CCC(O)COc1ccc2cc(ccc2c1)OC 7a_100000039947_100011218378 [1,0,0,1,0,0|2,0,0]=4 695 B19R2.1630704 CCc1ccc2cc(ccc2c1)OCC(O)CO 34a_200000085364_100011219619 [1,0,0,1,0,0|2,0,0]=4 696 B19R2.1630704 CCc1ccc2cc(ccc2c1)OCC(O)CO 7a_200000085364_100011219619 [1,0,0,1,0,0|2,0,0]=4 697 B19R2.1630704 CCc1ccc2cc(ccc2c1)OC[C@@H](O)CO 34a_200000085364_100009815848 [1,0,0,1,0,0|2,0,0]=4 698 B19R2.1630704 CCc1ccc2cc(ccc2c1)OC[C@@H](O)CO 7a_200000085364_100009815848 [1,0,0,1,0,0|2,0,0]=4 699 B19R2.1630704 COc1ccc2cc(ccc2c1)OCC(O)CO 34a_100000039947_100011219619 [1,0,0,1,0,0|1,0,0]=3 700 B19R2.1630704 COc1ccc2cc(ccc2c1)OCC(O)CO 7a_100000039947_100011219619 [1,0,0,1,0,0|1,0,0]=3 701 B19R2.1630704 COc1ccc2cc(ccc2c1)OC[C@@H](C)CO 34a_100000039947_100000059175 [1,0,0,1,0,0|2,0,0]=4 702 B19R2.1630704 COc1ccc2cc(ccc2c1)OC[C@@H](C)CO 7a_100000039947_100000059175 [1,0,0,1,0,0|2,0,0]=4 703 B19R2.1630704 COc1ccc2cc(ccc2c1)OC[C@@H](O)CF 34a_100000039947_100015614560 [1,0,0,1,0,0|2,0,0]=4 704 B19R2.1630704 COc1ccc2cc(ccc2c1)OC[C@@H](O)CF 7a_100000039947_100015614560 [1,0,0,1,0,0|2,0,0]=4 705 B19R2.1630704 COc1ccc2cc(ccc2c1)OC[C@@H](O)CO 34a_100000039947_100009815848 [1,0,0,1,0,0|1,0,0]=3 706 B19R2.1630704 COc1ccc2cc(ccc2c1)OC[C@@H](O)CO 7a_100000039947_100009815848 [1,0,0,1,0,0|1,0,0]=3 707 B19R2.1630704 COc1ccc2cc(ccc2c1)SCC(O)CO 62a_100011219619_100000170439 [1,0,0,1,0,0|1,1,0]=4 708 B19R2.1630704 COc1ccc2cc(ccc2c1)SC[C@@H](O)CO 62a_100009815848_100000170439 [1,0,0,1,0,0|1,1,0]=4 709 B19R2.1630704 COc1ccc2nc(ccc2c1)NC[C@H](O)CO 27a_100020644852_100000743015 [1,0,0,1,0,0|2,0,0]=4 710 B19R2.1630704 COc1ccc2nc(ccc2c1)SCC(O)CO 62a_100011219619_100000743015 [1,0,0,1,0,0|1,1,0]=4 711 B19R2.1630704 COc1ccc2nc(ccc2c1)SC[C@@H](O)CO 62a_100009815848_100000743015 [1,0,0,1,0,0|1,1,0]=4 712 B19R2.21887 COc1cc(ccc1Br)C=CC(=O)CC2(CO2)C 1458a_100016267305_100000760498 [0,0,0,1,1,0|2,0,0]=4 713 B19R2.21887 COc1cc(ccc1O)C=CC(=O)CC2(CO2)C 1458a_100000182119_100000760498 [0,0,0,1,1,0|1,0,0]=3 714 B19R2.128418 CCC(C)CC(=O)C=Cc1ccc2c(c1)OCO2 1458a_100000182195_100000748023 [0,0,0,1,1,0|2,0,0]=4 715 B19R2.128418 CCC(O)CC(=O)C=Cc1ccc2c(c1)CCO2 1458a_100000241297_100011218378 [0,0,0,1,1,0|2,0,0]=4 716 B19R2.128418 CCC(O)CC(=O)C=Cc1ccc2c(c1)OCO2 1458a_100000182195_100011218378 [0,0,0,1,1,0|1,0,0]=3 717 B19R2.128418 CC[C@H](C)CC(=O)C=Cc1ccc2c(c1)OCO2 1458a_100000182195_100009816398 [0,0,0,1,1,0|2,0,0]=4 718 B19R2.128418 C[C@@H](CO)CC(=O)C=Cc1ccc2c(c1)CCO2 1458a_100000241297_100000059175 [0,0,0,1,1,0|2,0,0]=4 719 B19R2.128418 C[C@@H](CO)CC(=O)C=Cc1ccc2c(c1)OCO2 1458a_100000182195_100000059175 [0,0,0,1,1,0|1,0,0]=3 720 B19R2.155259 O=C(Cc1ccc2c(c1)OCO2)NC[C@H](O)CO 240690a_100020644852_100000743733 [0,0,0,1,1,0|1,0,1]=4 721 B19R2.155259 O=C(Cc1ccc2c(c1)OCO2)NC[C@H](O)CO 527a_100020644852_100000743733 [0,0,0,1,1,0|1,0,1]=4 722 B19R2.155259 O=C(NC[C@H](O)CO)Nc1ccc2c(c1)OCO2 2430a_100000209953_100020644852 [0,0,0,1,1,0|2,0,0]=4 723 B21R2.377711 CCC(O)CNNC(=O)C=Cc1ccc2c(c1)OCO2 22a_100015206393_100000182195 [0,0,0,1,0,1|2,0,0]=4 724 B21R2.42190 COc1cc(ccc1Br)C=CC(=O)N[C@H]2COC[C@@H]2O 11a_100015191717_100016267305 [0,1,0,1,0,0|2,0,0]=4 725 B21R2.42190 COc1cc(ccc1Br)C=CC(=O)N[C@H]2COC[C@@H]2O 240690a_100015191717_100016267305 [0,1,0,1,0,0|2,0,0]=4 726 B21R2.10735 COc1cc(cc(c1O)Br)C=CC(=O)N2CCC(C2)O 240690a_100011215560_100015195021 [0,1,0,1,0,0|2,0,0]=4 727 B21R2.10735 COc1cc(cc(c1O)I)C=CC(=O)N2CCC(C2)O 240690a_100011215560_200021160827 [0,1,0,1,0,0|2,0,0]=4 728 B21R2.230618 COc1cc(cc(c1O)Br)C=CC(=O)NCC2(CC2)O 240690a_100011936951_100015195021 [0,1,0,1,0,0|2,0,0]=4 729 B21R2.230618 COc1cc(cc(c1O)I)C=CC(=O)NCC2(CC2)O 240690a_100011936951_200021160827 [0,1,0,1,0,0|2,0,0]=4 730 B21R2.4657303 COc1cc(cc(c1O)Br)C=CC(=O)N2C[C@@H]([C@@H]2C)O 240690a_206633788156_100015195021 [0,1,0,1,0,0|2,0,0]=4 731 B21R2.4657303 COc1cc(cc(c1O)I)C=CC(=O)N2C[C@@H]([C@@H]2C)O 240690a_206633788156_200021160827 [0,1,0,1,0,0|2,0,0]=4 732 B21R2.4657306 COc1cc(cc(c1O)Br)C=CC(=O)NCC2COC2 240690a_100015281925_100015195021 [0,1,0,1,0,0|2,0,0]=4 733 B21R2.4657306 COc1cc(cc(c1O)Br)C=CC(=O)NC[C@@H]2CCO2 240690a_100020831831_100015195021 [0,1,0,1,0,0|2,0,0]=4 734 B21R2.4657306 COc1cc(cc(c1O)I)C=CC(=O)NCC2COC2 240690a_100015281925_200021160827 [0,1,0,1,0,0|2,0,0]=4 735 B21R2.4657306 COc1cc(cc(c1O)I)C=CC(=O)NC[C@@H]2CCO2 240690a_100020831831_200021160827 [0,1,0,1,0,0|2,0,0]=4 736 B21R2.29534967 COc1cc(cc(c1O)Br)C=CC(=O)N2CC(C2)CO 240690a_100016987283_100015195021 [0,1,0,1,0,0|2,0,0]=4 737 B21R2.29534967 COc1cc(cc(c1O)I)C=CC(=O)N2CC(C2)CO 240690a_100016987283_200021160827 [0,1,0,1,0,0|2,0,0]=4 738 B21R2.108373 CC(CO)CNC(=O)C=Cc1ccc2c(c1)OCCO2 240690a_100000744482_100000179788 [0,1,0,1,0,0|2,0,0]=4 739 B21R2.108373 CCC(O)CNC(=O)C=Cc1ccc2c(c1)OCCO2 11a_100011218483_100000179788 [0,1,0,1,0,0|2,0,0]=4 740 B21R2.108373 CCC(O)CNC(=O)C=Cc1ccc2c(c1)OCCO2 240690a_100011218483_100000179788 [0,1,0,1,0,0|2,0,0]=4 741 B21R2.108373 O=C(C=Cc1ccc2c(c1)OCCO2)NC[C@@H](F)CO 240690a_100015665980_100000179788 [0,1,0,1,0,0|2,0,0]=4 742 B21R2.108373 O=C(C=Cc1ccc2c(c1)OCCO2)NC[C@H](O)CO 240690a_100020644852_100000179788 [0,1,0,1,0,0|1,0,0]=3 743 B21R2.42186 COc1cc(ccc1Br)C=CC(=O)N2C[C@H]([C@H](C2)O)O 11a_100015207562_100016267305 [0,1,0,1,0,0|2,0,0]=4 744 B21R2.42186 COc1cc(ccc1Br)C=CC(=O)N2C[C@H]([C@H](C2)O)O 240690a_100015207562_100016267305 [0,1,0,1,0,0|2,0,0]=4 745 B21R2.308834 CN(CC(O)CO)C(=O)C=Cc1ccc2c(c1)CCO2 240690a_100011216503_100000241297 [0,1,0,1,0,0|2,0,0]=4 746 B21R2.404154 O=C(CC(=O)c1ccc2c(c1)OCO2)NCC(O)CO 1458a_100000210863_200012027429 [0,1,0,1,0,0|1,0,1]=4 747 B21R2.4836842 CC(C)C(O)CNC(=O)C=Cc1ccc2c(c1)OCO2 11a_100000759067_100000182195 [0,1,0,1,0,0|2,0,0]=4 748 B21R2.41650 COc1cc(ccc1O)C=CC(=O)CCC2OCCO2 1458a_100000182119_100000740749 [0,1,0,1,0,0|2,0,0]=4 749 B21R2.5132865 CCC(CNC(=O)C=Cc1ccc2c(c1)OCO2)OC 11a_100000731041_100000182195 [0,1,0,1,0,0|2,0,0]=4 750 B21R2.5132865 CCC(CNC(=O)C=Cc1ccc2c(c1)OCO2)OC 1626a_100000731041_100000182195 [0,1,0,1,0,0|2,0,0]=4 751 B21R2.5071204 COCC(O)CNC(=O)C=Cc1ccc2c(c1)CCO2 240690a_100000756049_100000241297 [0,1,0,1,0,0|2,0,0]=4 752 B21R2.8422416 COc1cc(ccc1Br)C=CC(=O)NCC2(COC2)O 11a_100010264505_100016267305 [0,1,0,1,0,0|2,0,0]=4 753 B21R2.8422416 COc1cc(ccc1Br)C=CC(=O)NCC2(COC2)O 240690a_100010264505_100016267305 [0,1,0,1,0,0|2,0,0]=4 754 B21R2.432844 COc1ccc(cc1OC)C=CC(=O)N2CCC(C2)O 240690a_100011215560_100015194992 [0,1,0,1,0,0|2,0,0]=4 755 B21R2.432844 COc1ccc(cc1OC)C=CC(=O)N2CCC(C2)O 527a_100011215560_100015194992 [0,1,0,1,0,0|2,0,0]=4 756 B21R2.2477654 COc1ccc(cc1OC)C=CC(=O)NCC2(CC2)O 11a_100011936951_100015194992 [0,1,0,1,0,0|2,0,0]=4 757 B21R2.2477654 COc1ccc(cc1OC)C=CC(=O)NCC2(CC2)O 240690a_100011936951_100015194992 [0,1,0,1,0,0|2,0,0]=4 758 B21R2.2477654 COc1ccc(cc1OC)C=CC(=O)NCC2(CC2)O 527a_100011936951_100015194992 [0,1,0,1,0,0|2,0,0]=4 759 B21R2.28730891 COc1ccc(cc1OC)C=CC(=O)N2C[C@@H]([C@@H]2C)O 11a_206633788156_100015194992 [0,1,0,1,0,0|2,0,0]=4 760 B21R2.28730891 COc1ccc(cc1OC)C=CC(=O)N2C[C@@H]([C@@H]2C)O 240690a_206633788156_100015194992 [0,1,0,1,0,0|2,0,0]=4 761 B21R2.28730891 COc1ccc(cc1OC)C=CC(=O)N2C[C@@H]([C@@H]2C)O 527a_206633788156_100015194992 [0,1,0,1,0,0|2,0,0]=4 762 B21R2.28730893 COc1ccc(cc1OC)C=CC(=O)N2CC(C2)CO 240690a_100016987283_100015194992 [0,1,0,1,0,0|2,0,0]=4 763 B21R2.28730893 COc1ccc(cc1OC)C=CC(=O)N2CC(C2)CO 527a_100016987283_100015194992 [0,1,0,1,0,0|2,0,0]=4 764 B21R2.28730895 COc1ccc(cc1OC)C=CC(=O)NCC2COC2 11a_100015281925_100015194992 [0,1,0,1,0,0|2,0,0]=4 765 B21R2.28730895 COc1ccc(cc1OC)C=CC(=O)NCC2COC2 1626a_100015281925_100015194992 [0,1,0,1,0,0|2,0,0]=4 766 B21R2.28730895 COc1ccc(cc1OC)C=CC(=O)NCC2COC2 240690a_100015281925_100015194992 [0,1,0,1,0,0|2,0,0]=4 767 B21R2.28730895 COc1ccc(cc1OC)C=CC(=O)NCC2COC2 527a_100015281925_100015194992 [0,1,0,1,0,0|2,0,0]=4 768 B21R2.28730895 COc1ccc(cc1OC)C=CC(=O)NC[C@@H]2CCO2 11a_100020831831_100015194992 [0,1,0,1,0,0|2,0,0]=4 769 B21R2.28730895 COc1ccc(cc1OC)C=CC(=O)NC[C@@H]2CCO2 1626a_100020831831_100015194992 [0,1,0,1,0,0|2,0,0]=4 770 B21R2.28730895 COc1ccc(cc1OC)C=CC(=O)NC[C@@H]2CCO2 240690a_100020831831_100015194992 [0,1,0,1,0,0|2,0,0]=4 771 B21R2.28730895 COc1ccc(cc1OC)C=CC(=O)NC[C@@H]2CCO2 527a_100020831831_100015194992 [0,1,0,1,0,0|2,0,0]=4 772 B21R2.3281658 CCC(O)CNC(=O)C=Cc1cc2c(cc1Br)OCO2 11a_100011218483_100016995997 [0,1,0,1,0,0|2,0,0]=4 773 B21R3.4814449 C[C@H]1[C@H](CN1C(=O)C=Cc2ccc3c(c2)OCO3)O 11a_206633788156_100000182195 [0,0,0,2,0,0|2,0,0]=4 774 B21R3.7998994 O=C(C=Cc1ccc2c(c1)OCO2)NCC3COC3 11a_100015281925_100000182195 [0,0,0,2,0,0|2,0,0]=4 775 B21R3.7998994 O=C(C=Cc1ccc2c(c1)OCO2)NCC3COC3 1626a_100015281925_100000182195 [0,0,0,2,0,0|2,0,0]=4 776 B21R3.7998994 O=C(C=Cc1ccc2c(c1)OCO2)NC[C@@H]3CCO3 11a_100020831831_100000182195 [0,0,0,2,0,0|2,0,0]=4 777 B21R3.7998994 O=C(C=Cc1ccc2c(c1)OCO2)NC[C@@H]3CCO3 1626a_100020831831_100000182195 [0,0,0,2,0,0|2,0,0]=4 778 B21R3.12042931 O=C(C=Cc1ccc2c(c1)OCO2)NCC3(CC3)O 11a_100011936951_100000182195 [0,0,0,2,0,0|2,0,0]=4 779 B17R1.8971 COc1cc(ccc1O)CC(=O)CCCCO 1458a_100000032101_100000210776 [1,0,0,0,1,0|1,0,1]=4 780 B17R1.8971 COc1cc(ccc1O)CC(=O)NCCCO 240690a_100000182051_100000032101 [1,0,0,0,1,0|1,0,1]=4 781 B17R1.8971 COc1cc(ccc1O)CC(=O)NCCCO 527a_100000182051_100000032101 [1,0,0,0,1,0|1,0,1]=4 782 B17R1.8971 COc1cc(ccc1O)NC(=O)NCCCO 2430a_100000726020_100000182051 [1,0,0,0,1,0|2,0,0]=4 783 B17R1.5260 C=C(C)CC(=O)C=Cc1ccc(c(c1)OC)O 1458a_100000182119_100000748629 [1,0,0,0,1,0|1,0,1]=4 784 B17R1.5260 COc1cc(ccc1Br)C=CC(=O)CC(C)C 1458a_100016267305_100000210624 [1,0,0,0,1,0|2,0,0]=4 785 B17R1.5260 COc1cc(ccc1Br)C=CC(=O)CC(C)O 1458a_100016267305_100011218427 [1,0,0,0,1,0|1,0,0]=3 786 B17R1.5260 COc1cc(ccc1O)C=CC(=O)CC(C)C 1458a_100000182119_100000210624 [1,0,0,0,1,0|1,0,0]=3 787 B17R1.5260 COc1cc(ccc1O)C=CC(=O)CC(C)O 1458a_100000182119_100011218427 [1,0,0,0,1,0|0,0,0]=2 788 B17R1.5260 COc1cc(ccc1O)C=CC(=O)CC(F)F 1458a_100000182119_100011934356 [1,0,0,0,1,0|2,0,0]=4 789 B17R1.5260 COc1cc(ccc1O)CCC(=O)CC(C)O 1458a_100011216321_100011218427 [1,0,0,0,1,0|0,0,2]=4 790 B17R1.5260 COc1cc(ccc1O)CCC(=O)C[C@@H](C)O 1458a_100011933948_100010741665 [1,0,0,0,1,0|0,0,2]=4 791 B17R1.5260 COc1cc(ccc1O)CNC(=O)C[C@@H](C)O 240690a_100000185554_100011933948 [1,0,0,0,1,0|1,0,1]=4 792 B17R1.5290 COc1cc(ccc1O)CC(=O)CCC(C)O 1458a_100000032101_100012276601 [1,0,0,0,1,0|1,0,1]=4 793 B17R1.5290 COc1cc(ccc1O)CC(=O)NCC(C)O 240690a_100000210904_100000032101 [1,0,0,0,1,0|1,0,1]=4 794 B17R1.5290 COc1cc(ccc1O)CC(=O)NCC(C)O 527a_100000210904_100000032101 [1,0,0,0,1,0|1,0,1]=4 795 B17R1.5290 COc1cc(ccc1O)NC(=O)NCC(C)O 2430a_100000726020_100000210904 [1,0,0,0,1,0|2,0,0]=4 796 B17R1.20769 CCC(O)CC(=O)C=Cc1ccc(c(c1)Br)O 1458a_200103079279_100011218378 [1,0,0,0,1,0|2,0,0]=4 797 B17R1.20769 CCC(O)CC(=O)C=Cc1ccc(c(c1)C)C 1458a_100011338269_100011218378 [1,0,0,0,1,0|2,0,0]=4 798 B17R1.20769 CCC(O)CC(=O)C=Cc1ccc(c(c1)C)F 1458a_100016261966_100011218378 [1,0,0,0,1,0|2,0,0]=4 799 B17R1.20769 CCC(O)CC(=O)C=Cc1ccc(c(c1)Cl)O 1458a_200103117615_100011218378 [1,0,0,0,1,0|2,0,0]=4 800 B17R1.20769 C[C@@H](CO)CC(=O)C=Cc1ccc(c(c1)Br)O 1458a_200103079279_100000059175 [1,0,0,0,1,0|2,0,0]=4 801 B17R1.20769 C[C@@H](CO)CC(=O)C=Cc1ccc(c(c1)Cl)O 1458a_200103117615_100000059175 [1,0,0,0,1,0|2,0,0]=4 802 B17R1.20769 C[C@H](CO)NC(=O)C=Cc1ccc(c(c1)O)O 240690a_100000737577_100011195073 [1,0,0,0,1,0|2,0,0]=4 803 B17R1.20769 Cc1cc(ccc1F)C=CC(=O)C[C@@H](C)CO 1458a_100016261966_100000059175 [1,0,0,0,1,0|2,0,0]=4 804 B17R1.20769 Cc1ccc(cc1C)C=CC(=O)C[C@@H](C)CO 1458a_100011338269_100000059175 [1,0,0,0,1,0|2,0,0]=4 805 B17R1.24481 Cc1cc(ccc1O)CC(=O)NC[C@H](O)CO 240690a_100020644852_100000083968 [1,0,0,0,1,0|1,0,1]=4 806 B17R1.24481 Cc1cc(ccc1O)CC(=O)NC[C@H](O)CO 527a_100020644852_100000083968 [1,0,0,0,1,0|1,0,1]=4 807 B17R1.24481 Cc1cc(ccc1O)NC(=O)NC[C@H](O)CO 2430a_100011218179_100020644852 [1,0,0,0,1,0|2,0,0]=4 808 B17R1.24481 O=C(Cc1ccc(c(c1)O)O)NC[C@H](O)CO 527a_100020644852_100000031429 [1,0,0,0,1,0|1,0,1]=4 809 B17R1.24481 O=C(NC[C@H](O)CO)Nc1ccc(c(c1)O)O 2430a_100102946323_100020644852 [1,0,0,0,1,0|2,0,0]=4 810 B17R1.28471 COc1cccc(c1)CC(=O)NC[C@H](O)CO 240690a_100020644852_100000211281 [1,0,0,0,1,0|1,0,1]=4 811 B17R1.28471 COc1cccc(c1)CC(=O)NC[C@H](O)CO 527a_100020644852_100000211281 [1,0,0,0,1,0|1,0,1]=4 812 B17R1.28471 COc1cccc(c1)NC(=O)NC[C@H](O)CO 2430a_100000210024_100020644852 [1,0,0,0,1,0|2,0,0]=4 813 B17R1.5339 CCC(C)C(=O)C=Cc1ccc(c(c1)OC)O 1458a_100000182119_100000758301 [0,0,0,0,2,0|2,0,0]=4 814 B17R1.5339 COc1cc(ccc1O)CCC(=O)C(O)CO 1458a_100011215603_100010741665 [0,0,0,0,2,0|0,0,2]=4 815 B17R1.5339 COc1cc(ccc1O)CNC(=O)C(O)CO 240690a_100000185554_100011215603 [0,0,0,0,2,0|1,0,1]=4 816 B17R1.5345 CCC(O)CC(=O)Cc1ccc(c(c1)OC)O 1458a_100000032101_100011218378 [0,0,0,0,2,0|1,0,1]=4 817 B17R1.5345 CCC(O)CC(=O)Nc1ccc(c(c1)OC)O 22a_100000726020_100011667805 [0,0,0,0,2,0|2,0,0]=4 818 B17R1.5345 COc1cc(ccc1O)CC(=O)C[C@@H](C)CO 1458a_100000032101_100000059175 [0,0,0,0,2,0|1,0,1]=4 819 B17R1.5281 CCC(O)CNC(=O)c1ccc(c(c1)OC)O 240690a_100011218483_100000687070 [0,0,0,0,2,0|2,0,0]=4 820 B17R1.5281 COc1cc(ccc1Br)C(=O)NC[C@H](O)CO 240690a_100020644852_100011934951 [0,0,0,0,2,0|2,0,0]=4 821 B17R1.5281 COc1cc(ccc1Br)C(=O)NC[C@H](O)CO 527a_100020644852_100011934951 [0,0,0,0,2,0|2,0,0]=4 822 B17R1.5281 COc1cc(ccc1C)C(=O)NC[C@H](O)CO 240690a_100020644852_100000212341 [0,0,0,0,2,0|2,0,0]=4 823 B17R1.5281 COc1cc(ccc1C)C(=O)NC[C@H](O)CO 527a_100020644852_100000212341 [0,0,0,0,2,0|2,0,0]=4 824 B17R1.5281 COc1cc(ccc1Cl)C(=O)NC[C@H](O)CO 240690a_100020644852_100000181799 [0,0,0,0,2,0|2,0,0]=4 825 B17R1.5281 COc1cc(ccc1Cl)C(=O)NC[C@H](O)CO 527a_100020644852_100000181799 [0,0,0,0,2,0|2,0,0]=4 826 B17R1.5281 COc1cc(ccc1F)C(=O)NC[C@H](O)CO 240690a_100020644852_100000757635 [0,0,0,0,2,0|2,0,0]=4 827 B17R1.5281 COc1cc(ccc1F)C(=O)NC[C@H](O)CO 527a_100020644852_100000757635 [0,0,0,0,2,0|2,0,0]=4 828 B17R1.5281 COc1cc(ccc1I)C(=O)NC[C@H](O)CO 240690a_100020644852_100012356290 [0,0,0,0,2,0|2,0,0]=4 829 B17R1.5281 COc1cc(ccc1I)C(=O)NC[C@H](O)CO 527a_100020644852_100012356290 [0,0,0,0,2,0|2,0,0]=4 830 B17R1.5281 COc1cc(ccc1O)C(=O)NCC(C)CO 240690a_100000744482_100000687070 [0,0,0,0,2,0|2,0,0]=4 831 B17R1.5281 COc1cc(ccc1O)C(=O)NC[C@@H](F)CO 240690a_100015665980_100000687070 [0,0,0,0,2,0|2,0,0]=4 832 B17R1.5281 COc1cc(ccc1O)C(=O)NC[C@H](O)CO 240690a_100020644852_100000687070 [0,0,0,0,2,0|1,0,0]=3 833 B19R1.5368 CCC(O)CNN=CC=Cc1ccc(c(c1)OC)O 4a_100015206393_200137361272 [1,0,0,0,0,1|2,0,0]=4 834 B19R1.45454 CC(CO)CCNC(=O)C=Cc1ccc(c(c1)O)O 240690a_106354213184_100011195073 [1,0,0,0,0,1|2,0,0]=4 835 B19R1.45454 CCC(O)CNNC(=O)C=Cc1ccc(c(c1)O)O 22a_100015206393_100011195073 [1,0,0,0,0,1|2,0,0]=4 836 B19R1.6912 CCC(O)CNNC(=O)C=Cc1cccc(c1)OC 22a_100015206393_100000211917 [1,0,0,0,0,1|2,0,0]=4 837 B16R1.52 Cc1cccc(c1)C=CC(=O)CCCCO 1458a_100000690095_100000210776 [3,0,0,0,0,0|1,0,0]=4 838 B16R1.52 Cc1cccc(c1)C=CC(=O)NCCCO 240690a_100000182051_100000690095 [3,0,0,0,0,0|1,0,0]=4 839 B16R1.51 O=C(C=Cc1ccc(cc1)O)NCCCO 240690a_100000182051_100016269017 [3,0,0,0,0,0|1,0,0]=4 840 B16R1.20760 CCCNC(=O)C=Cc1ccc(c(c1)O)O 240690a_100020643023_100011195073 [3,0,0,0,0,0|1,0,0]=4 841 B16R1.20760 Cc1cc(ccc1F)C=CC(=O)CCCO 1458a_100016261966_100011215043 [3,0,0,0,0,0|1,0,0]=4 842 B16R1.20760 Cc1ccc(cc1C)C=CC(=O)CCCO 1458a_100011338269_100011215043 [3,0,0,0,0,0|1,0,0]=4 843 B16R1.20760 O=C(C=Cc1ccc(c(c1)Br)O)CCCO 1458a_200103079279_100011215043 [3,0,0,0,0,0|1,0,0]=4 844 B16R1.20760 O=C(C=Cc1ccc(c(c1)Cl)O)CCCO 1458a_200103117615_100011215043 [3,0,0,0,0,0|1,0,0]=4 845 B16R1.20760 O=C(C=Cc1ccc(c(c1)O)O)NCCO 240690a_100000210304_100011195073 [3,0,0,0,0,0|1,0,0]=4 846 B16R1.15083 CCCC(=O)C=Cc1ccc(c(c1)OC)Br 1458a_100016267305_100000210303 [3,0,0,0,0,0|1,0,0]=4 847 B16R1.15083 CCCC(=O)C=Cc1ccc(c(c1)OC)C 6a_100000719150_100011215381 [3,0,0,0,0,0|1,0,0]=4 848 B16R1.15083 CCCC(=O)C=Cc1ccc(c(c1)OC)Cl 6a_100011998524_100011215381 [3,0,0,0,0,0|1,0,0]=4 849 B16R1.15083 CCCC(=O)C=Cc1ccc(c(c1)OC)F 6a_100000692873_100011215381 [3,0,0,0,0,0|1,0,0]=4 850 B16R1.15083 CCCC(=O)C=Cc1ccc(c(c1)OC)O 1458a_100000182119_100000210303 [3,0,0,0,0,0|0,0,0]=3 851 B16R1.15083 CCOC(=O)C=Cc1ccc(c(c1)CC)O 271570a_100010199719_100012338938 [3,0,0,0,0,0|1,0,0]=4 852 B16R1.15083 CCOC(=O)C=Cc1ccc(c(c1)OC)Br 271570a_100010199719_100012353699 [3,0,0,0,0,0|1,0,0]=4 853 B16R1.15083 CCOC(=O)C=Cc1ccc(c(c1)OC)C 271570a_100010199719_100011830276 [3,0,0,0,0,0|1,0,0]=4 854 B16R1.15083 CCOC(=O)C=Cc1ccc(c(c1)OC)Cl 271570a_100010199719_100011356853 [3,0,0,0,0,0|1,0,0]=4 855 B16R1.15083 CCOC(=O)C=Cc1ccc(c(c1)OC)F 271570a_100010199719_100011934186 [3,0,0,0,0,0|1,0,0]=4 856 B16R1.15083 CCOC(=O)C=Cc1ccc(c(c1)OC)N 271570a_100010199719_100011279103 [3,0,0,0,0,0|1,0,0]=4 857 B16R1.15083 CCOC(=O)C=Cc1ccc(c(c1)OC)O 271570a_100010199719_100000694246 [3,0,0,0,0,0|0,0,0]=3 858 B16R1.15083 CCOC(=O)C=Cc1ccc(c(n1)OC)O 271570a_100010199719_100010893133 [3,0,0,0,0,0|1,0,0]=4 859 B16R1.15083 COc1cc(ccc1Br)C=CC(=O)CCO 1458a_100016267305_100000211926 [3,0,0,0,0,0|1,0,0]=4 860 B16R1.15083 COc1cc(ccc1O)C=CC(=O)CCF 1458a_100000182119_100011217306 [3,0,0,0,0,0|1,0,0]=4 861 B16R1.15083 COc1cc(ccc1O)C=CC(=O)CCO 1458a_100000182119_100000211926 [3,0,0,0,0,0|0,0,0]=3 862 B16R1.1061 CC(O)CNC(=O)C=Cc1ccc(cc1)O 240690a_100000210904_100016269017 [3,0,0,0,0,0|1,0,0]=4 863 B16R1.11227 Cc1cccc(c1)C=CC(=O)CCC(C)O 1458a_100000690095_100012276601 [3,0,0,0,0,0|1,0,0]=4 864 B16R1.11227 Cc1cccc(c1)C=CC(=O)NCC(C)O 11a_100000210904_100000690095 [3,0,0,0,0,0|1,0,0]=4 865 B16R1.11227 Cc1cccc(c1)C=CC(=O)NCC(C)O 240690a_100000210904_100000690095 [3,0,0,0,0,0|1,0,0]=4 866 B18R1.2722 CCOc1cccc(c1)C=CC(=O)CCCCO 1458a_100011214976_100000210776 [2,1,0,0,0,0|1,0,0]=4 867 B18R1.2722 CCOc1cccc(c1)C=CC(=O)NCCCO 240690a_100000182051_100011214976 [2,1,0,0,0,0|1,0,0]=4 868 B18R1.2732 COc1ccc(cc1C)C=CC(=O)CCCCO 1458a_100116352456_100000210776 [2,1,0,0,0,0|1,0,0]=4 869 B18R1.2732 COc1ccc(cc1C)C=CC(=O)NCCCO 240690a_100000182051_100116352456 [2,1,0,0,0,0|1,0,0]=4 870 B18R1.2732 COc1ccc(cc1O)C=CC(=O)CCCCO 1458a_100000184920_100000210776 [2,1,0,0,0,0|1,0,0]=4 871 B18R1.23365 COCCCNC(=O)C=Cc1ccc(c(c1)O)O 240690a_100150723488_100011195073 [2,1,0,0,0,0|1,0,0]=4 872 B18R1.23365 O=C(C=Cc1ccc(c(c1)O)O)NCCCCO 240690a_100000750430_100011195073 [2,1,0,0,0,0|1,0,0]=4 873 B18R1.32338 CC(O)CCNC(=O)C=Cc1ccc(c(c1)O)O 240690a_200000755665_100011195073 [2,1,0,0,0,0|1,0,0]=4 874 B18R1.42765 CN(CCCO)C(=O)C=Cc1ccc(c(c1)O)O 240690a_100000213112_100011195073 [2,1,0,0,0,0|1,0,0]=4 875 B18R1.43636 C[C@H](CCO)NC(=O)C=Cc1ccc(c(c1)O)O 240690a_100000706166_100011195073 [2,1,0,0,0,0|1,0,0]=4 876 B18R1.9523 CCCOC(=O)CC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_200011215008 [2,1,0,0,0,0|0,0,1]=4 877 B18R1.10085 CCCCC(=O)C=Cc1ccc(c(c1)OC)OC 1458a_100015194992_100000210211 [2,1,0,0,0,0|1,0,0]=4 878 B18R1.10085 CCCNC(=O)C=Cc1ccc(c(c1)OC)OC 11a_100020643023_100015194992 [2,1,0,0,0,0|1,0,0]=4 879 B18R1.10085 CCCNC(=O)C=Cc1ccc(c(c1)OC)OC 1626a_100020643023_100015194992 [2,1,0,0,0,0|1,0,0]=4 880 B18R1.10085 CCCNC(=O)C=Cc1ccc(c(c1)OC)OC 240690a_100020643023_100015194992 [2,1,0,0,0,0|1,0,0]=4 881 B18R1.10085 CCCNC(=O)C=Cc1ccc(c(c1)OC)OC 527a_100020643023_100015194992 [2,1,0,0,0,0|1,0,0]=4 882 B18R1.10085 COc1ccc(cc1OC)C=CC(=O)CCCF 1458a_100015194992_100011934791 [2,1,0,0,0,0|1,0,0]=4 883 B18R1.10085 COc1ccc(cc1OC)C=CC(=O)CCCO 1458a_100015194992_100011215043 [2,1,0,0,0,0|0,0,0]=3 884 B18R1.10085 COc1ccc(cc1OC)C=CC(=O)NCCO 240690a_100000210304_100015194992 [2,1,0,0,0,0|1,0,0]=4 885 B18R1.10085 COc1ccc(cc1OC)C=CC(=O)NCCO 527a_100000210304_100015194992 [2,1,0,0,0,0|1,0,0]=4 886 B18R1.30569 CCCC(C)C(=O)C=Cc1ccc(c(c1)OC)O 1458a_100000182119_100000766640 [2,1,0,0,0,0|1,0,0]=4 887 B18R1.30569 COc1cc(ccc1Br)C=CC(=O)C(C)CCO 1458a_100016267305_100009893172 [2,1,0,0,0,0|1,0,0]=4 888 B18R1.30569 COc1cc(ccc1O)C=CC(=O)C(C)CCO 1458a_100000182119_100009893172 [2,1,0,0,0,0|0,0,0]=3 889 B18R1.102053 COc1c(ccc(c1F)C=CC(=O)CCCO)Cl 1458a_100020621803_100011215043 [2,1,0,0,0,0|1,0,0]=4 890 B18R1.300455 CCCCC(=O)C=Cc1cc(c(c(c1)OC)O)Br 1458a_100015195021_100000210211 [2,1,0,0,0,0|1,0,0]=4 891 B18R1.300455 CCCCC(=O)C=Cc1cc(c(c(c1)OC)O)Br 6a_100000186746_100000032102 [2,1,0,0,0,0|1,0,0]=4 892 B18R1.300455 CCCCC(=O)C=Cc1cc(c(c(c1)OC)O)C 6a_100000050991_100000032102 [2,1,0,0,0,0|1,0,0]=4 893 B18R1.300455 CCCCC(=O)C=Cc1cc(c(c(c1)OC)O)Cl 6a_100000010622_100000032102 [2,1,0,0,0,0|1,0,0]=4 894 B18R1.300455 CCCCC(=O)C=Cc1cc(c(c(c1)OC)O)F 6a_100000039941_100000032102 [2,1,0,0,0,0|1,0,0]=4 895 B18R1.300455 CCCCC(=O)C=Cc1cc(c(c(c1)OC)O)I 1458a_200021160827_100000210211 [2,1,0,0,0,0|1,0,0]=4 896 B18R1.300455 CCCCC(=O)C=Cc1cc(c(c(c1)OC)O)I 6a_100000184534_100000032102 [2,1,0,0,0,0|1,0,0]=4 897 B18R1.300455 CCCNC(=O)C=Cc1cc(c(c(c1)OC)O)Br 240690a_100020643023_100015195021 [2,1,0,0,0,0|1,0,0]=4 898 B18R1.300455 CCCNC(=O)C=Cc1cc(c(c(c1)OC)O)I 240690a_100020643023_200021160827 [2,1,0,0,0,0|1,0,0]=4 899 B18R1.300455 COc1cc(cc(c1O)Br)C=CC(=O)CCCBr 6a_100000186746_100000685027 [2,1,0,0,0,0|1,0,0]=4 900 B18R1.300455 COc1cc(cc(c1O)Br)C=CC(=O)CCCCl 6a_100000186746_100011215641 [2,1,0,0,0,0|1,0,0]=4 901 B18R1.300455 COc1cc(cc(c1O)Br)C=CC(=O)CCCF 1458a_100015195021_100011934791 [2,1,0,0,0,0|1,0,0]=4 902 B18R1.300455 COc1cc(cc(c1O)Br)C=CC(=O)CCCO 1458a_100015195021_100011215043 [2,1,0,0,0,0|0,0,0]=3 903 B18R1.300455 COc1cc(cc(c1O)Br)C=CC(=O)NCCO 240690a_100000210304_100015195021 [2,1,0,0,0,0|1,0,0]=4 904 B18R1.300455 COc1cc(cc(c1O)C)C=CC(=O)CCCBr 6a_100000050991_100000685027 [2,1,0,0,0,0|1,0,0]=4 905 B18R1.300455 COc1cc(cc(c1O)C)C=CC(=O)CCCCl 6a_100000050991_100011215641 [2,1,0,0,0,0|1,0,0]=4 906 B18R1.300455 COc1cc(cc(c1O)Cl)C=CC(=O)CCCBr 6a_100000010622_100000685027 [2,1,0,0,0,0|1,0,0]=4 907 B18R1.300455 COc1cc(cc(c1O)Cl)C=CC(=O)CCCCl 6a_100000010622_100011215641 [2,1,0,0,0,0|1,0,0]=4 908 B18R1.300455 COc1cc(cc(c1O)F)C=CC(=O)CCCBr 6a_100000039941_100000685027 [2,1,0,0,0,0|1,0,0]=4 909 B18R1.300455 COc1cc(cc(c1O)F)C=CC(=O)CCCCl 6a_100000039941_100011215641 [2,1,0,0,0,0|1,0,0]=4 910 B18R1.300455 COc1cc(cc(c1O)I)C=CC(=O)CCCBr 6a_100000184534_100000685027 [2,1,0,0,0,0|1,0,0]=4 911 B18R1.300455 COc1cc(cc(c1O)I)C=CC(=O)CCCCl 6a_100000184534_100011215641 [2,1,0,0,0,0|1,0,0]=4 912 B18R1.300455 COc1cc(cc(c1O)I)C=CC(=O)CCCF 1458a_200021160827_100011934791 [2,1,0,0,0,0|1,0,0]=4 913 B18R1.300455 COc1cc(cc(c1O)I)C=CC(=O)CCCO 1458a_200021160827_100011215043 [2,1,0,0,0,0|0,0,0]=3 914 B18R1.300455 COc1cc(cc(c1O)I)C=CC(=O)NCCO 240690a_100000210304_200021160827 [2,1,0,0,0,0|1,0,0]=4 915 B18R1.4638 COc1ccc(cc1C)C=CC(=O)CCC(C)O 1458a_100116352456_100012276601 [2,1,0,0,0,0|1,0,0]=4 916 B18R1.4638 COc1ccc(cc1C)C=CC(=O)NCC(C)O 11a_100000210904_100116352456 [2,1,0,0,0,0|1,0,0]=4 917 B18R1.4638 COc1ccc(cc1C)C=CC(=O)NCC(C)O 240690a_100000210904_100116352456 [2,1,0,0,0,0|1,0,0]=4 918 B18R1.4638 COc1ccc(cc1O)C=CC(=O)CCC(C)O 1458a_100000184920_100012276601 [2,1,0,0,0,0|1,0,0]=4 919 B18R1.32336 CC(O)CN(C)C(=O)C=Cc1ccc(c(c1)O)O 240690a_100000227577_100011195073 [2,1,0,0,0,0|1,0,0]=4 920 B18R1.32558 CC(C)(O)CNC(=O)C=Cc1ccc(c(c1)O)O 240690a_100000751335_100011195073 [2,1,0,0,0,0|1,0,0]=4 921 B18R1.23137 CCOc1cccc(c1)C=CC(=O)CCC(C)O 1458a_100011214976_100012276601 [2,1,0,0,0,0|1,0,0]=4 922 B18R1.23137 CCOc1cccc(c1)C=CC(=O)NCC(C)O 11a_100000210904_100011214976 [2,1,0,0,0,0|1,0,0]=4 923 B18R1.23137 CCOc1cccc(c1)C=CC(=O)NCC(C)O 240690a_100000210904_100011214976 [2,1,0,0,0,0|1,0,0]=4 924 B18R1.220 COc1ccc(cc1)C=CC(=O)NC[C@H](O)CO 527a_100020644852_100000184205 [2,1,0,0,0,0|1,0,0]=4 925 B18R1.843 CN(CC(O)CO)C(=O)C=Cc1ccc(cc1)O 240690a_100011216503_100016269017 [2,1,0,0,0,0|1,0,0]=4 926 B18R1.43591 COCC(O)CNC(=O)C=Cc1ccc(cc1)O 240690a_100000756049_100016269017 [2,1,0,0,0,0|1,0,0]=4 927 B18R1.844 Cc1cccc(c1)C=CC(=O)N(C)CC(O)CO 240690a_100011216503_100000690095 [2,1,0,0,0,0|1,0,0]=4 928 B18R1.24285 COCC(O)CNC(=O)C=Cc1cccc(c1)C 240690a_100000756049_100000690095 [2,1,0,0,0,0|1,0,0]=4 929 B18R1.37853 Cc1ccc(c(c1)C=CC(=O)NC[C@H](O)CO)F 240690a_100020644852_100102526132 [2,1,0,0,0,0|1,0,0]=4 930 B18R1.37853 O=C(C=Cc1cc(ccc1Br)O)NC[C@H](O)CO 240690a_100020644852_200159324452 [2,1,0,0,0,0|1,0,0]=4 931 B18R1.37855 Cc1cc(cc(c1)C=CC(=O)NC[C@H](O)CO)C 240690a_100020644852_100016257640 [2,1,0,0,0,0|1,0,0]=4 932 B18R1.37855 Cc1cc(cc(c1)C=CC(=O)NC[C@H](O)CO)F 240690a_100020644852_100102526130 [2,1,0,0,0,0|1,0,0]=4 933 B18R1.5466 COc1cc(ccc1O)C(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100010206313 [1,1,0,0,1,0|0,0,1]=4 934 B18R1.18502 COc1cc(cc(c1O)Br)C=CC(=O)CC(C)C 1458a_100015195021_100000210624 [1,1,0,0,1,0|1,0,0]=4 935 B18R1.18502 COc1cc(cc(c1O)Br)C=CC(=O)CC(C)O 1458a_100015195021_100011218427 [1,1,0,0,1,0|0,0,0]=3 936 B18R1.18502 COc1cc(cc(c1O)I)C=CC(=O)CC(C)C 1458a_200021160827_100000210624 [1,1,0,0,1,0|1,0,0]=4 937 B18R1.18502 COc1cc(cc(c1O)I)C=CC(=O)CC(C)O 1458a_200021160827_100011218427 [1,1,0,0,1,0|0,0,0]=3 938 B18R1.81608 COc1c(ccc(c1F)C=CC(=O)CC(C)O)Cl 1458a_100020621803_100011218427 [1,1,0,0,1,0|1,0,0]=4 939 B18R1.277936 COc1ccc(cc1OC)C=CC(=O)CC(C)C 1458a_100015194992_100000210624 [1,1,0,0,1,0|1,0,0]=4 940 B18R1.277936 COc1ccc(cc1OC)C=CC(=O)CC(C)O 1458a_100015194992_100011218427 [1,1,0,0,1,0|0,0,0]=3 941 B18R1.64218 O=C(C=Cc1ccc(c(c1)O)O)NC(CO)CO 240690a_100000759517_100011195073 [1,1,0,0,1,0|1,0,0]=4 942 B18R1.73264 CCC(O)CC(=O)C=Cc1ccc(c(c1)C)OC 1458a_100116352456_100011218378 [1,1,0,0,1,0|1,0,0]=4 943 B18R1.73264 CCC(O)CC(=O)C=Cc1ccc(c(c1)O)OC 1458a_100000184920_100011218378 [1,1,0,0,1,0|1,0,0]=4 944 B18R1.73264 COc1ccc(cc1C)C=CC(=O)C[C@@H](C)CO 1458a_100116352456_100000059175 [1,1,0,0,1,0|1,0,0]=4 945 B18R1.73264 COc1ccc(cc1O)C=CC(=O)C[C@@H](C)CO 1458a_100000184920_100000059175 [1,1,0,0,1,0|1,0,0]=4 946 B18R1.23180 CCOc1cccc(c1)C=CC(=O)CC(O)CC 1458a_100011214976_100011218378 [1,1,0,0,1,0|1,0,0]=4 947 B18R1.23180 CCOc1cccc(c1)C=CC(=O)C[C@@H](C)CO 1458a_100011214976_100000059175 [1,1,0,0,1,0|1,0,0]=4 948 B18R1.5459 COc1cc(ccc1O)C(=O)CC(=O)C(O)CO 1458a_100011215603_100010206313 [0,1,0,0,2,0|0,0,1]=4 949 B18R1.7409 COCC(O)CNC(=O)c1ccc(c(c1)OC)O 240690a_100000756049_100000687070 [0,1,0,0,2,0|1,0,0]=4 950 B18R1.18034 COc1cc(cc(c1O)Cl)C(=O)NC[C@H](O)CO 240690a_100020644852_100000209947 [0,1,0,0,2,0|1,0,0]=4 951 B18R1.21974 CCOc1cc(ccc1O)C(=O)NC[C@H](O)CO 240690a_100020644852_100011260950 [0,1,0,0,2,0|1,0,0]=4 952 B18R1.73327 COc1ccc(cc1OC)C(=O)NC[C@H](O)CO 240690a_100020644852_100000211223 [0,1,0,0,2,0|1,0,0]=4 953 B18R1.73327 COc1ccc(cc1OC)C(=O)NC[C@H](O)CO 527a_100020644852_100000211223 [0,1,0,0,2,0|1,0,0]=4 954 B20R1.24813 COc1cc(cc(c1O)Br)C=CC(=O)CCCC(C)O 1458a_100015195021_200000718107 [1,2,0,0,0,0|1,0,0]=4 955 B20R1.24813 COc1cc(cc(c1O)Br)C=CC(=O)NCCC(C)O 240690a_200000755665_100015195021 [1,2,0,0,0,0|1,0,0]=4 956 B20R1.24813 COc1cc(cc(c1O)I)C=CC(=O)CCCC(C)O 1458a_200021160827_200000718107 [1,2,0,0,0,0|1,0,0]=4 957 B20R1.24813 COc1cc(cc(c1O)I)C=CC(=O)NCCC(C)O 240690a_200000755665_200021160827 [1,2,0,0,0,0|1,0,0]=4 958 B20R1.727811 COc1ccc(cc1OC)C=CC(=O)CCCC(C)O 1458a_100015194992_200000718107 [1,2,0,0,0,0|1,0,0]=4 959 B20R1.727811 COc1ccc(cc1OC)C=CC(=O)NCCC(C)O 240690a_200000755665_100015194992 [1,2,0,0,0,0|1,0,0]=4 960 B20R1.727811 COc1ccc(cc1OC)C=CC(=O)NCCC(C)O 527a_200000755665_100015194992 [1,2,0,0,0,0|1,0,0]=4 961 B20R1.226023 CCOc1cc(cc(c1O)Cl)C=CC(=O)CCCCO 1458a_100015194376_100000210776 [1,2,0,0,0,0|1,0,0]=4 962 B20R1.226023 CCOc1cc(cc(c1O)Cl)C=CC(=O)NCCCO 240690a_100000182051_100015194376 [1,2,0,0,0,0|1,0,0]=4 963 B20R1.889442 CCOc1cc(ccc1OC)C=CC(=O)CCCCO 1458a_100000184759_100000210776 [1,2,0,0,0,0|1,0,0]=4 964 B20R1.889442 CCOc1cc(ccc1OC)C=CC(=O)NCCCO 240690a_100000182051_100000184759 [1,2,0,0,0,0|1,0,0]=4 965 B20R1.35157 CCCCOCC(=O)C=Cc1ccc(c(c1)OC)OC 1458a_100015194992_100011995733 [1,2,0,0,0,0|1,0,0]=4 966 B20R1.35157 COCCCCC(=O)C=Cc1ccc(c(c1)OC)OC 1458a_100015194992_100000755781 [1,2,0,0,0,0|1,0,0]=4 967 B20R1.35157 COCCCNC(=O)C=Cc1ccc(c(c1)OC)OC 1626a_100150723488_100015194992 [1,2,0,0,0,0|1,0,0]=4 968 B20R1.35157 COCCCNC(=O)C=Cc1ccc(c(c1)OC)OC 240690a_100150723488_100015194992 [1,2,0,0,0,0|1,0,0]=4 969 B20R1.35157 COCCCNC(=O)C=Cc1ccc(c(c1)OC)OC 527a_100150723488_100015194992 [1,2,0,0,0,0|1,0,0]=4 970 B20R1.35157 COc1ccc(cc1OC)C=CC(=O)CCCCCO 1458a_100015194992_100000746330 [1,2,0,0,0,0|1,0,0]=4 971 B20R1.35157 COc1ccc(cc1OC)C=CC(=O)CCOCCO 1458a_100015194992_100011215305 [1,2,0,0,0,0|1,0,0]=4 972 B20R1.35157 COc1ccc(cc1OC)C=CC(=O)NCCCCO 240690a_100000750430_100015194992 [1,2,0,0,0,0|1,0,0]=4 973 B20R1.35157 COc1ccc(cc1OC)C=CC(=O)NCCCCO 527a_100000750430_100015194992 [1,2,0,0,0,0|1,0,0]=4 974 B20R1.71867 COc1ccc(cc1OC)C=CC(=O)N(C)CCCO 240690a_100000213112_100015194992 [1,2,0,0,0,0|1,0,0]=4 975 B20R1.71867 COc1ccc(cc1OC)C=CC(=O)N(C)CCCO 527a_100000213112_100015194992 [1,2,0,0,0,0|1,0,0]=4 976 B20R1.74176 COc1ccc(cc1OC)C=CC(=O)N[C@H](C)CCO 240690a_100000706166_100015194992 [1,2,0,0,0,0|1,0,0]=4 977 B20R1.74176 COc1ccc(cc1OC)C=CC(=O)N[C@H](C)CCO 527a_100000706166_100015194992 [1,2,0,0,0,0|1,0,0]=4 978 B20R1.226025 COc1cc(cc(c1OC)Cl)C=CC(=O)CCCCO 1458a_100000184590_100000210776 [1,2,0,0,0,0|1,0,0]=4 979 B20R1.226025 COc1cc(cc(c1OC)Cl)C=CC(=O)NCCCO 240690a_100000182051_100000184590 [1,2,0,0,0,0|1,0,0]=4 980 B20R1.889401 COc1cc(c(cc1OC)C=CC(=O)CCCCO)Br 1458a_200000186731_100000210776 [1,2,0,0,0,0|1,0,0]=4 981 B20R1.889401 COc1cc(c(cc1OC)C=CC(=O)NCCCO)Br 240690a_100000182051_200000186731 [1,2,0,0,0,0|1,0,0]=4 982 B20R1.889431 COc1ccc(c(c1OC)Cl)C=CC(=O)CCCCO 1458a_200020587463_100000210776 [1,2,0,0,0,0|1,0,0]=4 983 B20R1.889431 COc1ccc(c(c1OC)Cl)C=CC(=O)NCCCO 240690a_100000182051_200020587463 [1,2,0,0,0,0|1,0,0]=4 984 B20R1.889443 CCOc1ccc(cc1OC)C=CC(=O)CCCCO 1458a_100000179813_100000210776 [1,2,0,0,0,0|1,0,0]=4 985 B20R1.889443 CCOc1ccc(cc1OC)C=CC(=O)NCCCO 240690a_100000182051_100000179813 [1,2,0,0,0,0|1,0,0]=4 986 B20R1.4594 COc1cc(ccc1O)C=CC(=O)CCCCB(O)O 1458a_100000182119_200009817182 [1,2,0,0,0,0|1,0,0]=4 987 B20R1.60118 CCCCOCCC(=O)C=Cc1ccc(c(c1)OC)O 1458a_100000182119_100000743108 [1,2,0,0,0,0|1,0,0]=4 988 B20R1.60118 COCCOCCC(=O)C=Cc1ccc(c(c1)OC)O 1458a_100000182119_100000695917 [1,2,0,0,0,0|1,0,0]=4 989 B20R1.60118 COc1cc(ccc1O)C=CC(=O)CCCCCCO 1458a_100000182119_100000766143 [1,2,0,0,0,0|1,0,0]=4 990 B20R1.155721 CCCCOCC(=O)C=Cc1cc(c(c(c1)OC)O)Br 1458a_100015195021_100011995733 [1,2,0,0,0,0|1,0,0]=4 991 B20R1.155721 CCCCOCC(=O)C=Cc1cc(c(c(c1)OC)O)I 1458a_200021160827_100011995733 [1,2,0,0,0,0|1,0,0]=4 992 B20R1.155721 COCCCCC(=O)C=Cc1cc(c(c(c1)OC)O)Br 1458a_100015195021_100000755781 [1,2,0,0,0,0|1,0,0]=4 993 B20R1.155721 COCCCCC(=O)C=Cc1cc(c(c(c1)OC)O)I 1458a_200021160827_100000755781 [1,2,0,0,0,0|1,0,0]=4 994 B20R1.155721 COCCCNC(=O)C=Cc1cc(c(c(c1)OC)O)Br 240690a_100150723488_100015195021 [1,2,0,0,0,0|1,0,0]=4 995 B20R1.155721 COCCCNC(=O)C=Cc1cc(c(c(c1)OC)O)I 240690a_100150723488_200021160827 [1,2,0,0,0,0|1,0,0]=4 996 B20R1.155721 COc1cc(cc(c1O)Br)C=CC(=O)CCCCCO 1458a_100015195021_100000746330 [1,2,0,0,0,0|1,0,0]=4 997 B20R1.155721 COc1cc(cc(c1O)Br)C=CC(=O)CCOCCO 1458a_100015195021_100011215305 [1,2,0,0,0,0|1,0,0]=4 998 B20R1.155721 COc1cc(cc(c1O)Br)C=CC(=O)NCCCCO 240690a_100000750430_100015195021 [1,2,0,0,0,0|1,0,0]=4 999 B20R1.155721 COc1cc(cc(c1O)I)C=CC(=O)CCCCCO 1458a_200021160827_100000746330 [1,2,0,0,0,0|1,0,0]=4 1000 B20R1.155721 COc1cc(cc(c1O)I)C=CC(=O)CCOCCO 1458a_200021160827_100011215305 [1,2,0,0,0,0|1,0,0]=4 1001 B20R1.155721 COc1cc(cc(c1O)I)C=CC(=O)NCCCCO 240690a_100000750430_200021160827 [1,2,0,0,0,0|1,0,0]=4 1002 B20R1.85818 COc1cc(ccc1O)C=C(C#N)C(=O)CCCCO 1458a_100000162688_100000210776 [1,2,0,0,0,0|1,0,0]=4 1003 B20R1.446628 COc1cc(cc(c1O)Br)C=CC(=O)N(C)CCCO 240690a_100000213112_100015195021 [1,2,0,0,0,0|1,0,0]=4 1004 B20R1.446628 COc1cc(cc(c1O)I)C=CC(=O)N(C)CCCO 240690a_100000213112_200021160827 [1,2,0,0,0,0|1,0,0]=4 1005 B20R1.571601 COc1cc(cc(c1O)Br)C=CC(=O)N[C@H](C)CCO 240690a_100000706166_100015195021 [1,2,0,0,0,0|1,0,0]=4 1006 B20R1.571601 COc1cc(cc(c1O)I)C=CC(=O)N[C@H](C)CCO 240690a_100000706166_200021160827 [1,2,0,0,0,0|1,0,0]=4 1007 B20R1.226024 COc1cc(cc(c1O)OC)C=CC(=O)CCCCO 1458a_100000764192_100000210776 [1,2,0,0,0,0|1,0,0]=4 1008 B20R1.226024 COc1cc(cc(c1O)OC)C=CC(=O)NCCCO 240690a_100000182051_100000764192 [1,2,0,0,0,0|1,0,0]=4 1009 B20R1.24811 COc1cc(cc(c1O)Br)C=CC(=O)N(C)CC(C)O 240690a_100000227577_100015195021 [1,2,0,0,0,0|1,0,0]=4 1010 B20R1.24811 COc1cc(cc(c1O)I)C=CC(=O)N(C)CC(C)O 240690a_100000227577_200021160827 [1,2,0,0,0,0|1,0,0]=4 1011 B20R1.727809 COc1ccc(cc1OC)C=CC(=O)N(C)CC(C)O 240690a_100000227577_100015194992 [1,2,0,0,0,0|1,0,0]=4 1012 B20R1.727809 COc1ccc(cc1OC)C=CC(=O)N(C)CC(C)O 527a_100000227577_100015194992 [1,2,0,0,0,0|1,0,0]=4 1013 B20R1.123609 COc1cc(ccc1O)C=C(C#N)C(=O)CCC(C)O 1458a_100000162688_100012276601 [1,2,0,0,0,0|1,0,0]=4 1014 B20R1.23963 COc1cc(cc(c1OC)Cl)C=CC(=O)CCC(C)O 1458a_100000184590_100012276601 [1,2,0,0,0,0|1,0,0]=4 1015 B20R1.23963 COc1cc(cc(c1OC)Cl)C=CC(=O)NCC(C)O 11a_100000210904_100000184590 [1,2,0,0,0,0|1,0,0]=4 1016 B20R1.23963 COc1cc(cc(c1OC)Cl)C=CC(=O)NCC(C)O 240690a_100000210904_100000184590 [1,2,0,0,0,0|1,0,0]=4 1017 B20R1.24065 COc1cc(cc(c1O)Br)C=CC(=O)NCC(C)(C)O 240690a_100000751335_100015195021 [1,2,0,0,0,0|1,0,0]=4 1018 B20R1.24065 COc1cc(cc(c1O)I)C=CC(=O)NCC(C)(C)O 240690a_100000751335_200021160827 [1,2,0,0,0,0|1,0,0]=4 1019 B20R1.24777 COc1cc(cc(c1O)OC)C=CC(=O)CCC(C)O 1458a_100000764192_100012276601 [1,2,0,0,0,0|1,0,0]=4 1020 B20R1.24777 COc1cc(cc(c1O)OC)C=CC(=O)NCC(C)O 240690a_100000210904_100000764192 [1,2,0,0,0,0|1,0,0]=4 1021 B20R1.323894 CCOc1cc(cc(c1O)Cl)C=CC(=O)CCC(C)O 1458a_100015194376_100012276601 [1,2,0,0,0,0|1,0,0]=4 1022 B20R1.323894 CCOc1cc(cc(c1O)Cl)C=CC(=O)NCC(C)O 240690a_100000210904_100015194376 [1,2,0,0,0,0|1,0,0]=4 1023 B20R1.32809 CCOc1cc(ccc1OC)C=CC(=O)CCC(C)O 1458a_100000184759_100012276601 [1,2,0,0,0,0|1,0,0]=4 1024 B20R1.32809 CCOc1cc(ccc1OC)C=CC(=O)NCC(C)O 11a_100000210904_100000184759 [1,2,0,0,0,0|1,0,0]=4 1025 B20R1.32809 CCOc1cc(ccc1OC)C=CC(=O)NCC(C)O 240690a_100000210904_100000184759 [1,2,0,0,0,0|1,0,0]=4 1026 B20R1.759709 COc1cc(c(cc1OC)C=CC(=O)CCC(C)O)Br 1458a_200000186731_100012276601 [1,2,0,0,0,0|1,0,0]=4 1027 B20R1.759709 COc1cc(c(cc1OC)C=CC(=O)NCC(C)O)Br 11a_100000210904_200000186731 [1,2,0,0,0,0|1,0,0]=4 1028 B20R1.759709 COc1cc(c(cc1OC)C=CC(=O)NCC(C)O)Br 240690a_100000210904_200000186731 [1,2,0,0,0,0|1,0,0]=4 1029 B20R1.104984 COc1ccc(cc1OC)C=CC(=O)NCC(C)(C)O 1626a_100000751335_100015194992 [1,2,0,0,0,0|1,0,0]=4 1030 B20R1.104984 COc1ccc(cc1OC)C=CC(=O)NCC(C)(C)O 240690a_100000751335_100015194992 [1,2,0,0,0,0|1,0,0]=4 1031 B20R1.104984 COc1ccc(cc1OC)C=CC(=O)NCC(C)(C)O 527a_100000751335_100015194992 [1,2,0,0,0,0|1,0,0]=4 1032 B20R1.467918 CCOc1ccc(cc1OC)C=CC(=O)CCC(C)O 1458a_100000179813_100012276601 [1,2,0,0,0,0|1,0,0]=4 1033 B20R1.467918 CCOc1ccc(cc1OC)C=CC(=O)NCC(C)O 11a_100000210904_100000179813 [1,2,0,0,0,0|1,0,0]=4 1034 B20R1.467918 CCOc1ccc(cc1OC)C=CC(=O)NCC(C)O 240690a_100000210904_100000179813 [1,2,0,0,0,0|1,0,0]=4 1035 B20R1.739923 COc1ccc(c(c1OC)Cl)C=CC(=O)CCC(C)O 1458a_200020587463_100012276601 [1,2,0,0,0,0|1,0,0]=4 1036 B20R1.739923 COc1ccc(c(c1OC)Cl)C=CC(=O)NCC(C)O 11a_100000210904_200020587463 [1,2,0,0,0,0|1,0,0]=4 1037 B20R1.739923 COc1ccc(c(c1OC)Cl)C=CC(=O)NCC(C)O 240690a_100000210904_200020587463 [1,2,0,0,0,0|1,0,0]=4 1038 B20R1.105181 COc1ccc(cc1C)C=CC(=O)N(C)CC(O)CO 240690a_100011216503_100116352456 [1,2,0,0,0,0|1,0,0]=4 1039 B20R1.558164 COCC(O)CN(C)C(=O)C=Cc1ccc(c(c1)O)O 240690a_100000739405_100011195073 [1,2,0,0,0,0|1,0,0]=4 1040 B20R1.158057 COCC(O)CNC(=O)C=Cc1ccc(c(c1)C)OC 240690a_100000756049_100116352456 [1,2,0,0,0,0|1,0,0]=4 1041 B20R1.473380 CCOCC(O)CNC(=O)C=Cc1ccc(c(c1)O)O 240690a_102515437182_100011195073 [1,2,0,0,0,0|1,0,0]=4 1042 B20R1.752639 COc1cccc(c1)C=C(C#N)C(=O)NC[C@H](O)CO 527a_100020644852_100000162701 [1,2,0,0,0,0|1,0,0]=4 1043 B20R1.750817 COc1cccc(c1OC)C=CC(=O)NC[C@H](O)CO 240690a_100020644852_100016318293 [1,2,0,0,0,0|1,0,0]=4 1044 B20R1.26471 COc1cc(cc(c1)OC)C=CC(=O)NC[C@H](O)CO 240690a_100020644852_100000212327 [1,2,0,0,0,0|1,0,0]=4 1045 B20R1.63968 O=C(C=Cc1cccc(c1)OC(F)F)NC[C@H](O)CO 240690a_100020644852_200011253237 [1,2,0,0,0,0|1,0,0]=4 1046 B20R1.459655 CCOc1cccc(c1)C=CC(=O)N(C)CC(O)CO 240690a_100011216503_100011214976 [1,2,0,0,0,0|1,0,0]=4 1047 B20R1.459757 CCOc1cccc(c1)C=CC(=O)NCC(O)COC 240690a_100000756049_100011214976 [1,2,0,0,0,0|1,0,0]=4 1048 B20R1.765712 COc1ccc(c(c1)C=CC(=O)NC[C@H](O)CO)OC 527a_100020644852_100000185123 [1,2,0,0,0,0|1,0,0]=4 1049 B20R1.24815 COc1cc(cc(c1O)Br)C=CC(=O)NC(CO)CO 240690a_100000759517_100015195021 [0,2,0,0,1,0|1,0,0]=4 1050 B20R1.24815 COc1cc(cc(c1O)I)C=CC(=O)NC(CO)CO 240690a_100000759517_200021160827 [0,2,0,0,1,0|1,0,0]=4 1051 B20R1.727813 COc1ccc(cc1OC)C=CC(=O)NC(CO)CO 240690a_100000759517_100015194992 [0,2,0,0,1,0|1,0,0]=4 1052 B20R1.727813 COc1ccc(cc1OC)C=CC(=O)NC(CO)CO 527a_100000759517_100015194992 [0,2,0,0,1,0|1,0,0]=4 1053 B20R1.123843 COc1cc(ccc1O)C(=O)CC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100010206313 [0,2,0,0,1,0|0,0,1]=4 1054 B20R1.24226 CCC(O)CC(=O)C=Cc1cc(c(c(c1)OC)OC)Cl 1458a_100000184590_100011218378 [0,2,0,0,1,0|1,0,0]=4 1055 B20R1.24226 COc1cc(cc(c1OC)Cl)C=CC(=O)C[C@@H](C)CO 1458a_100000184590_100000059175 [0,2,0,0,1,0|1,0,0]=4 1056 B20R1.24591 CCC(O)CC(=O)C=Cc1cc(c(c(c1)OC)O)OC 1458a_100000764192_100011218378 [0,2,0,0,1,0|1,0,0]=4 1057 B20R1.24591 COc1cc(cc(c1O)OC)C=CC(=O)C[C@@H](C)CO 1458a_100000764192_100000059175 [0,2,0,0,1,0|1,0,0]=4 1058 B20R1.94840 CCOc1cc(cc(c1O)Cl)C=CC(=O)CC(O)CC 1458a_100015194376_100011218378 [0,2,0,0,1,0|1,0,0]=4 1059 B20R1.94840 CCOc1cc(cc(c1O)Cl)C=CC(=O)C[C@@H](C)CO 1458a_100015194376_100000059175 [0,2,0,0,1,0|1,0,0]=4 1060 B20R1.349358 CCOc1cc(ccc1OC)C=CC(=O)CC(O)CC 1458a_100000184759_100011218378 [0,2,0,0,1,0|1,0,0]=4 1061 B20R1.349358 CCOc1cc(ccc1OC)C=CC(=O)C[C@@H](C)CO 1458a_100000184759_100000059175 [0,2,0,0,1,0|1,0,0]=4 1062 B20R1.123619 CCC(O)CC(=O)C(=Cc1ccc(c(c1)OC)O)C#N 1458a_100000162688_100011218378 [0,2,0,0,1,0|1,0,0]=4 1063 B20R1.123619 COc1cc(ccc1O)C=C(C#N)C(=O)C[C@@H](C)CO 1458a_100000162688_100000059175 [0,2,0,0,1,0|1,0,0]=4 1064 B20R1.315896 CCOc1ccc(cc1OC)C=CC(=O)CC(O)CC 1458a_100000179813_100011218378 [0,2,0,0,1,0|1,0,0]=4 1065 B20R1.315896 CCOc1ccc(cc1OC)C=CC(=O)C[C@@H](C)CO 1458a_100000179813_100000059175 [0,2,0,0,1,0|1,0,0]=4 1066 B20R1.763079 CCC(O)CC(=O)C=Cc1ccc(c(c1Cl)OC)OC 1458a_200020587463_100011218378 [0,2,0,0,1,0|1,0,0]=4 1067 B20R1.763079 COc1ccc(c(c1OC)Cl)C=CC(=O)C[C@@H](C)CO 1458a_200020587463_100000059175 [0,2,0,0,1,0|1,0,0]=4 1068 B20R1.2095856 CCC(O)CC(=O)C=Cc1cc(c(cc1Br)OC)OC 1458a_200000186731_100011218378 [0,2,0,0,1,0|1,0,0]=4 1069 B20R1.2095856 COc1cc(c(cc1OC)C=CC(=O)C[C@@H](C)CO)Br 1458a_200000186731_100000059175 [0,2,0,0,1,0|1,0,0]=4 1070 B22R1.183893 COc1cc(ccc1O)C=CC(=O)CC(=O)NCC(O)CO 1458a_100000182119_200012027429 [0,1,0,0,0,2|1,0,0]=4 1071 B22R1.127310 CCOc1cc(cc(c1OC)Br)C=CC(=O)NC[C@H](O)CO 240690a_100020644852_200000261636 [0,3,0,0,0,0|1,0,0]=4 1072 B22R1.127310 CCOc1cc(cc(c1OC)Cl)C=CC(=O)NC[C@H](O)CO 240690a_100020644852_100000260154 [0,3,0,0,0,0|1,0,0]=4 1073 B22R1.127310 CCOc1cc(cc(c1OC)I)C=CC(=O)NC[C@H](O)CO 240690a_100020644852_200015299636 [0,3,0,0,0,0|1,0,0]=4 1074 B22R1.714941 COc1cc(cc(c1OC)OC)C=CC(=O)NC[C@H](O)CO 240690a_100020644852_100000260932 [0,3,0,0,0,0|1,0,0]=4 1075 B22R1.726829 COc1cc(cc(c1OC)Cl)C=CC(=O)N(C)CC(O)CO 240690a_100011216503_100000184590 [0,3,0,0,0,0|1,0,0]=4 1076 B22R1.1192761 COCC(O)CNC(=O)C=Cc1cc(c(c(c1)OC)OC)Cl 240690a_100000756049_100000184590 [0,3,0,0,0,0|1,0,0]=4 1077 B22R1.7408238 CCOc1c(cc(cc1OC)C=CC(=O)NC[C@H](O)CO)Br 240690a_100020644852_200000261635 [0,3,0,0,0,0|1,0,0]=4 1078 B22R1.7408238 CCOc1c(cc(cc1OC)C=CC(=O)NC[C@H](O)CO)Cl 240690a_100020644852_100000261267 [0,3,0,0,0,0|1,0,0]=4 1079 B22R1.729314 COc1cc(cc(c1O)OC)C=CC(=O)N(C)CC(O)CO 240690a_100011216503_100000764192 [0,3,0,0,0,0|1,0,0]=4 1080 B22R1.1192760 COCC(O)CNC(=O)C=Cc1cc(c(c(c1)OC)O)OC 240690a_100000756049_100000764192 [0,3,0,0,0,0|1,0,0]=4 1081 B22R1.4065110 CCOc1cc(cc(c1O)Cl)C=CC(=O)NCC(O)COC 240690a_100000756049_100015194376 [0,3,0,0,0,0|1,0,0]=4 1082 B22R1.4065126 CCOc1cc(cc(c1O)Cl)C=CC(=O)N(C)CC(O)CO 240690a_100011216503_100015194376 [0,3,0,0,0,0|1,0,0]=4 1083 B22R1.1177454 COCC(O)CN(C)C(=O)C=Cc1cc(c(c(c1)OC)O)Br 240690a_100000739405_100015195021 [0,3,0,0,0,0|1,0,0]=4 1084 B22R1.1177454 COCC(O)CN(C)C(=O)C=Cc1cc(c(c(c1)OC)O)I 240690a_100000739405_200021160827 [0,3,0,0,0,0|1,0,0]=4 1085 B22R1.1702428 CCOCC(O)CNC(=O)C=Cc1cc(c(c(c1)OC)O)Br 240690a_102515437182_100015195021 [0,3,0,0,0,0|1,0,0]=4 1086 B22R1.1702428 CCOCC(O)CNC(=O)C=Cc1cc(c(c(c1)OC)O)I 240690a_102515437182_200021160827 [0,3,0,0,0,0|1,0,0]=4 1087 B22R1.594321 CCOc1ccc(cc1OCC)C=CC(=O)NC[C@H](O)CO 240690a_100020644852_100020650347 [0,3,0,0,0,0|1,0,0]=4 1088 B22R1.861009 CCOc1cc(ccc1OC)C=CC(=O)N(C)CC(O)CO 240690a_100011216503_100000184759 [0,3,0,0,0,0|1,0,0]=4 1089 B22R1.861034 CCOc1cc(ccc1OC)C=CC(=O)NCC(O)COC 240690a_100000756049_100000184759 [0,3,0,0,0,0|1,0,0]=4 1090 B22R1.7796620 CCOc1cc(c(cc1OC)Br)C=CC(=O)NC[C@H](O)CO 240690a_100020644852_200015347288 [0,3,0,0,0,0|1,0,0]=4 1091 B22R1.146183 COCC(O)CN(C)C(=O)C=Cc1ccc(c(c1)OC)OC 240690a_100000739405_100015194992 [0,3,0,0,0,0|1,0,0]=4 1092 B22R1.146183 COCC(O)CN(C)C(=O)C=Cc1ccc(c(c1)OC)OC 527a_100000739405_100015194992 [0,3,0,0,0,0|1,0,0]=4 1093 B22R1.13840877 COc1cc(c(cc1OC)C=CC(=O)N(C)CC(O)CO)Br 240690a_100011216503_200000186731 [0,3,0,0,0,0|1,0,0]=4 1094 B22R1.7489759 CCOc1ccc(cc1OC)C=CC(=O)N(C)CC(O)CO 240690a_100011216503_100000179813 [0,3,0,0,0,0|1,0,0]=4 1095 B22R1.13900342 COc1ccc(c(c1OC)Cl)C=CC(=O)N(C)CC(O)CO 240690a_100011216503_200020587463 [0,3,0,0,0,0|1,0,0]=4 1096 B22R1.4958671 COc1ccc(cc1OC)/C=C(\C#N)/C(=O)NC[C@H](O)CO 527a_100020644852_100025770252 [0,3,0,0,0,0|1,0,0]=4 1097 B22R1.5066223 COCC(O)CNC(=O)C=Cc1cc(c(cc1Br)OC)OC 240690a_100000756049_200000186731 [0,3,0,0,0,0|1,0,0]=4 1098 B22R1.396262 CCOCC(O)CNC(=O)C=Cc1ccc(c(c1)OC)OC 240690a_102515437182_100015194992 [0,3,0,0,0,0|1,0,0]=4 1099 B22R1.396262 CCOCC(O)CNC(=O)C=Cc1ccc(c(c1)OC)OC 527a_102515437182_100015194992 [0,3,0,0,0,0|1,0,0]=4 1100 B22R1.5066231 COCC(O)CNC(=O)C=Cc1ccc(c(c1Cl)OC)OC 240690a_100000756049_200020587463 [0,3,0,0,0,0|1,0,0]=4 1101 B22R1.7489743 CCOc1ccc(cc1OC)C=CC(=O)NCC(O)COC 240690a_100000756049_100000179813 [0,3,0,0,0,0|1,0,0]=4 1102 B22R1.184002 COc1cc(ccc1OC(=O)C)C=CC(=O)NC[C@H](O)CO 240690a_100020644852_100020587468 [0,3,0,0,0,0|1,0,0]=4 1103 B22R1.184002 COc1cc(ccc1OC(F)F)C=CC(=O)NC[C@H](O)CO 240690a_100020644852_100000260995 [0,3,0,0,0,0|1,0,0]=4 1104 B22R1.1253755 C=CCOc1ccc(cc1OC)C=CC(=O)NC[C@H](O)CO 240690a_100020644852_100000260223 [0,3,0,0,0,0|1,0,0]=4 1105 B22R1.1253755 CCCOc1ccc(cc1OC)C=CC(=O)NC[C@H](O)CO 240690a_100020644852_100000261183 [0,3,0,0,0,0|1,0,0]=4 1106 B22R1.1253755 COc1cc(ccc1OCC#N)C=CC(=O)NC[C@H](O)CO 240690a_100020644852_100000261054 [0,3,0,0,0,0|1,0,0]=4 1107 B22R1.4280078 CCOc1cc(c(cc1OC)C=CC(=O)NC[C@H](O)CO)Br 240690a_100020644852_100015347305 [0,3,0,0,0,0|1,0,0]=4 1108 B22R1.1600475 COc1cc(c(cc1C=CC(=O)NC[C@H](O)CO)OC)OC 240690a_100020644852_100000261302 [0,3,0,0,0,0|1,0,0]=4 1109 B18R1.36417 COc1cc(ccc1OCC(O)CO)/C=C\CO 34a_100016294963_100011219619 [1,0,1,1,0,0|0,0,1]=4 1110 B18R1.36417 COc1cc(ccc1OC[C@@H](O)CO)/C=C\CO 34a_100016294963_100009815848 [1,0,1,1,0,0|0,0,1]=4 1111 B18R2.122271 COc1ccc2cc(ccc2c1)OCCCO 34a_100000039947_100000230001 [2,0,0,1,0,0|1,0,0]=4 1112 B18R2.122271 COc1ccc2cc(ccc2c1)OCCCO 7a_100000039947_100011215043 [2,0,0,1,0,0|1,0,0]=4 1113 B18R2.31793 CCCCC(=O)C=Cc1ccc2c(c1)OCO2 1458a_100000182195_100000210211 [2,0,0,1,0,0|1,0,0]=4 1114 B18R2.31793 CCCNC(=O)C=Cc1ccc2c(c1)OCO2 11a_100020643023_100000182195 [2,0,0,1,0,0|1,0,0]=4 1115 B18R2.31793 CCCNC(=O)C=Cc1ccc2c(c1)OCO2 1626a_100020643023_100000182195 [2,0,0,1,0,0|1,0,0]=4 1116 B18R2.31793 O=C(C=Cc1ccc2c(c1)CCO2)CCCO 1458a_100000241297_100011215043 [2,0,0,1,0,0|1,0,0]=4 1117 B18R2.31793 O=C(C=Cc1ccc2c(c1)OCO2)CCCF 1458a_100000182195_100011934791 [2,0,0,1,0,0|1,0,0]=4 1118 B18R2.31793 O=C(C=Cc1ccc2c(c1)OCO2)CCCO 1458a_100000182195_100011215043 [2,0,0,1,0,0|0,0,0]=3 1119 B18R2.162329 COc1cc(ccc1Br)C=CC(=O)CC2CO2 1458a_100016267305_100011216344 [2,0,0,1,0,0|1,0,0]=4 1120 B18R2.162329 COc1cc(ccc1Br)C=CC(=O)C[C@@H]2CO2 1458a_100016267305_100000745022 [2,0,0,1,0,0|1,0,0]=4 1121 B18R2.162329 COc1cc(ccc1O)C=CC(=O)CC2CC2 1458a_100000182119_100000742324 [2,0,0,1,0,0|1,0,0]=4 1122 B18R2.162329 COc1cc(ccc1O)C=CC(=O)CC2CO2 1458a_100000182119_100011216344 [2,0,0,1,0,0|0,0,0]=3 1123 B18R2.162329 COc1cc(ccc1O)C=CC(=O)CC2CS2 1458a_100000182119_100000031435 [2,0,0,1,0,0|0,1,0]=4 1124 B18R2.162329 COc1cc(ccc1O)C=CC(=O)C[C@@H]2CO2 1458a_100000182119_100000745022 [2,0,0,1,0,0|0,0,0]=3 1125 B18R2.162353 COc1cc(ccc1O)C=CC(=O)C2CCC2 1458a_100000182119_100000749161 [2,0,0,1,0,0|1,0,0]=4 1126 B18R2.92801 O=C(C=Cc1ccc(c(c1)O)O)N2CC(C2)O 240690a_100000749847_100011195073 [2,0,0,1,0,0|1,0,0]=4 1127 B18R2.17930 COc1ccc2cc(ccc2c1)OCC(C)O 34a_100000039947_100011218427 [2,0,0,1,0,0|1,0,0]=4 1128 B18R2.17930 COc1ccc2cc(ccc2c1)OCC(C)O 7a_100000039947_100011218427 [2,0,0,1,0,0|1,0,0]=4 1129 B18R2.17930 COc1ccc2cc(ccc2c1)OC[C@@H](C)O 34a_100000039947_100009817552 [2,0,0,1,0,0|1,0,0]=4 1130 B18R2.17930 COc1ccc2cc(ccc2c1)OC[C@@H](C)O 7a_100000039947_100009817552 [2,0,0,1,0,0|1,0,0]=4 1131 B18R2.10001 Cc1cccc2c1cc(cc2)OCC(O)CO 34a_200000091600_100011219619 [2,0,0,1,0,0|1,0,0]=4 1132 B18R2.10001 Cc1cccc2c1cc(cc2)OCC(O)CO 7a_200000091600_100011219619 [2,0,0,1,0,0|1,0,0]=4 1133 B18R2.10001 Cc1cccc2c1cc(cc2)OC[C@@H](O)CO 34a_200000091600_100009815848 [2,0,0,1,0,0|1,0,0]=4 1134 B18R2.10001 Cc1cccc2c1cc(cc2)OC[C@@H](O)CO 7a_200000091600_100009815848 [2,0,0,1,0,0|1,0,0]=4 1135 B18R2.101667 Cc1ccc2cc(ccc2c1)OCC(O)CO 34a_100000074090_100011219619 [2,0,0,1,0,0|1,0,0]=4 1136 B18R2.101667 Cc1ccc2cc(ccc2c1)OCC(O)CO 7a_100000074090_100011219619 [2,0,0,1,0,0|1,0,0]=4 1137 B18R2.101667 Cc1ccc2cc(ccc2c1)OC[C@@H](O)CO 34a_100000074090_100009815848 [2,0,0,1,0,0|1,0,0]=4 1138 B18R2.101667 Cc1ccc2cc(ccc2c1)OC[C@@H](O)CO 7a_100000074090_100009815848 [2,0,0,1,0,0|1,0,0]=4 1139 B18R2.101368 CC(C)CC(=O)C=Cc1ccc2c(c1)OCO2 1458a_100000182195_100000210624 [1,0,0,1,1,0|1,0,0]=4 1140 B18R2.101368 CC(O)CC(=O)C=Cc1ccc2c(c1)CCO2 1458a_100000241297_100011218427 [1,0,0,1,1,0|1,0,0]=4 1141 B18R2.101368 CC(O)CC(=O)C=Cc1ccc2c(c1)OCO2 1458a_100000182195_100011218427 [1,0,0,1,1,0|0,0,0]=3 1142 B20R2.2359432 COc1ccc2cc(ccc2c1)COCC(O)CO 34a_100000246284_100011219619 [1,0,0,1,0,1|1,0,0]=4 1143 B20R2.2359432 COc1ccc2cc(ccc2c1)COCC(O)CO 7a_100000246284_100011219619 [1,0,0,1,0,1|1,0,0]=4 1144 B20R2.2359432 COc1ccc2cc(ccc2c1)COC[C@@H](O)CO 34a_100000246284_100009815848 [1,0,0,1,0,1|1,0,0]=4 1145 B20R2.2359432 COc1ccc2cc(ccc2c1)COC[C@@H](O)CO 7a_100000246284_100009815848 [1,0,0,1,0,1|1,0,0]=4 1146 B20R2.173018 CC(O)CCCC(=O)C=Cc1ccc2c(c1)OCO2 1458a_100000182195_200000718107 [1,1,0,1,0,0|1,0,0]=4 1147 B20R2.2308729 COc1cc(ccc1O)C=CC(=O)CCCC2CO2 1458a_100000182119_100000733510 [1,1,0,1,0,0|1,0,0]=4 1148 B20R2.2270 O=C(C=Cc1ccc2c(c1)OCCO2)CCCCO 1458a_100000179788_100000210776 [1,1,0,1,0,0|1,0,0]=4 1149 B20R2.2270 O=C(C=Cc1ccc2c(c1)OCCO2)NCCCO 240690a_100000182051_100000179788 [1,1,0,1,0,0|1,0,0]=4 1150 B20R2.5057962 COc1ccc(cc1OC)C=CC(=O)CC2CCO2 1458a_100015194992_100000103362 [1,1,0,1,0,0|1,0,0]=4 1151 B20R2.15108195 COc1ccc(cc1OC)C=CC(=O)CCC2CO2 1458a_100015194992_100000732470 [1,1,0,1,0,0|1,0,0]=4 1152 B20R2.2946 COc1cc(ccc1O)C=CC(=O)C2CCCOC2 1458a_100000182119_100000693364 [1,1,0,1,0,0|1,0,0]=4 1153 B20R2.30650 COc1cc(ccc1O)C=CC(=O)CC2CCCO2 1458a_100000182119_100000203698 [1,1,0,1,0,0|1,0,0]=4 1154 B20R2.30650 COc1cc(ccc1O)C=CC(=O)CC2CCOC2 1458a_100000182119_100000702531 [1,1,0,1,0,0|1,0,0]=4 1155 B20R2.30650 COc1cc(ccc1O)C=CC(=O)CC2OCCO2 1458a_100000182119_100000755774 [1,1,0,1,0,0|1,0,0]=4 1156 B20R2.184020 CCCCOCC(=O)C=Cc1ccc2c(c1)OCO2 1458a_100000182195_100011995733 [1,1,0,1,0,0|1,0,0]=4 1157 B20R2.184020 COCCCCC(=O)C=Cc1ccc2c(c1)OCO2 1458a_100000182195_100000755781 [1,1,0,1,0,0|1,0,0]=4 1158 B20R2.184020 COCCCNC(=O)C=Cc1ccc2c(c1)OCO2 1626a_100150723488_100000182195 [1,1,0,1,0,0|1,0,0]=4 1159 B20R2.184020 O=C(C=Cc1ccc2c(c1)OCO2)CCCCCO 1458a_100000182195_100000746330 [1,1,0,1,0,0|1,0,0]=4 1160 B20R2.184020 O=C(C=Cc1ccc2c(c1)OCO2)CCOCCO 1458a_100000182195_100011215305 [1,1,0,1,0,0|1,0,0]=4 1161 B20R2.335719 O=C(C=Cc1cc2c(cc1Br)OCO2)CCCCO 1458a_100016995997_100000210776 [1,1,0,1,0,0|1,0,0]=4 1162 B20R2.674252 COc1cc(cc(c1O)Br)C=CC(=O)CC2CCO2 1458a_100015195021_100000103362 [1,1,0,1,0,0|1,0,0]=4 1163 B20R2.674252 COc1cc(cc(c1O)I)C=CC(=O)CC2CCO2 1458a_200021160827_100000103362 [1,1,0,1,0,0|1,0,0]=4 1164 B20R2.676221 COc1cc(cc(c1O)Br)C=CC(=O)CCC2CO2 1458a_100015195021_100000732470 [1,1,0,1,0,0|1,0,0]=4 1165 B20R2.676221 COc1cc(cc(c1O)I)C=CC(=O)CCC2CO2 1458a_200021160827_100000732470 [1,1,0,1,0,0|1,0,0]=4 1166 B20R2.159798 COc1cc(cc(c1O)Br)C=CC(=O)N2CC(C2)O 240690a_100000749847_100015195021 [1,1,0,1,0,0|1,0,0]=4 1167 B20R2.159798 COc1cc(cc(c1O)I)C=CC(=O)N2CC(C2)O 240690a_100000749847_200021160827 [1,1,0,1,0,0|1,0,0]=4 1168 B20R2.28938 CC(O)CCC(=O)C=Cc1ccc2c(c1)OCCO2 1458a_100000179788_100012276601 [1,1,0,1,0,0|1,0,0]=4 1169 B20R2.28938 CC(O)CNC(=O)C=Cc1ccc2c(c1)OCCO2 11a_100000210904_100000179788 [1,1,0,1,0,0|1,0,0]=4 1170 B20R2.28938 CC(O)CNC(=O)C=Cc1ccc2c(c1)OCCO2 240690a_100000210904_100000179788 [1,1,0,1,0,0|1,0,0]=4 1171 B20R2.8463 CC(O)CCC(=O)C=Cc1cc2c(cc1Br)OCO2 1458a_100016995997_100012276601 [1,1,0,1,0,0|1,0,0]=4 1172 B20R2.8463 CC(O)CNC(=O)C=Cc1cc2c(cc1Br)OCO2 11a_100000210904_100016995997 [1,1,0,1,0,0|1,0,0]=4 1173 B20R2.4596173 CC(C)(O)CNC(=O)C=Cc1ccc2c(c1)OCO2 1626a_100000751335_100000182195 [1,1,0,1,0,0|1,0,0]=4 1174 B20R2.1731676 COc1ccc(cc1OC)C=CC(=O)N2CC(C2)O 11a_100000749847_100015194992 [1,1,0,1,0,0|1,0,0]=4 1175 B20R2.1731676 COc1ccc(cc1OC)C=CC(=O)N2CC(C2)O 240690a_100000749847_100015194992 [1,1,0,1,0,0|1,0,0]=4 1176 B20R2.1731676 COc1ccc(cc1OC)C=CC(=O)N2CC(C2)O 527a_100000749847_100015194992 [1,1,0,1,0,0|1,0,0]=4 1177 B20R2.235600 O=C(C=Cc1ccc(c(c1)O)O)N2C[C@H]([C@H](C2)O)O 240690a_100015207562_100011195073 [1,1,0,1,0,0|1,0,0]=4 1178 B20R2.2267320 COCC(O)COc1ccc2cc(ccc2c1)OC 34a_100000039947_100011215053 [1,1,0,1,0,0|1,0,0]=4 1179 B20R2.2267320 COCC(O)COc1ccc2cc(ccc2c1)OC 7a_100000039947_100011215053 [1,1,0,1,0,0|1,0,0]=4 1180 B20R2.2308738 CCC1(CO1)CC(=O)C=Cc2ccc(c(c2)OC)O 1458a_100000182119_200000139556 [0,1,0,1,1,0|1,0,0]=4 1181 B20R2.159799 COc1cc(cc(c1O)Br)C=CC(=O)CC2(CO2)C 1458a_100015195021_100000760498 [0,1,0,1,1,0|1,0,0]=4 1182 B20R2.159799 COc1cc(cc(c1O)I)C=CC(=O)CC2(CO2)C 1458a_200021160827_100000760498 [0,1,0,1,1,0|1,0,0]=4 1183 B20R2.13302 CCC(O)CC(=O)C=Cc1ccc2c(c1)OCCO2 1458a_100000179788_100011218378 [0,1,0,1,1,0|1,0,0]=4 1184 B20R2.13302 C[C@@H](CO)CC(=O)C=Cc1ccc2c(c1)OCCO2 1458a_100000179788_100000059175 [0,1,0,1,1,0|1,0,0]=4 1185 B20R2.1731677 COc1ccc(cc1OC)C=CC(=O)CC2(CO2)C 1458a_100015194992_100000760498 [0,1,0,1,1,0|1,0,0]=4 1186 B20R2.201963 CCC(O)CC(=O)C=Cc1cc2c(cc1Br)OCO2 1458a_100016995997_100011218378 [0,1,0,1,1,0|1,0,0]=4 1187 B20R2.201963 C[C@@H](CO)CC(=O)C=Cc1cc2c(cc1Br)OCO2 1458a_100016995997_100000059175 [0,1,0,1,1,0|1,0,0]=4 1188 B20R3.1927581 O=C(C=Cc1ccc2c(c1)OCO2)CC3CCO3 1458a_100000182195_100000103362 [1,0,0,2,0,0|1,0,0]=4 1189 B20R3.5159259 O=C(C=Cc1ccc2c(c1)OCO2)CCC3CO3 1458a_100000182195_100000732470 [1,0,0,2,0,0|1,0,0]=4 1190 B20R3.295932 O=C(C=Cc1ccc2c(c1)OCO2)N3CC(C3)O 11a_100000749847_100000182195 [1,0,0,2,0,0|1,0,0]=4 1191 B20R3.7033126 CC1(CO1)CC(=O)C=Cc2ccc3c(c2)OCO3 1458a_100000182195_100000760498 [0,0,0,2,1,0|1,0,0]=4 1192 B22R2.319521 COc1cc(cc(c1O)Br)C=CC(=O)N[C@H]2COC[C@@H]2O 240690a_100015191717_100015195021 [0,2,0,1,0,0|1,0,0]=4 1193 B22R2.319521 COc1cc(cc(c1O)I)C=CC(=O)N[C@H]2COC[C@@H]2O 240690a_100015191717_200021160827 [0,2,0,1,0,0|1,0,0]=4 1194 B22R2.1136107 COc1ccc(cc1OC)C=CC(=O)N[C@H]2COC[C@@H]2O 11a_100015191717_100015194992 [0,2,0,1,0,0|1,0,0]=4 1195 B22R2.1136107 COc1ccc(cc1OC)C=CC(=O)N[C@H]2COC[C@@H]2O 240690a_100015191717_100015194992 [0,2,0,1,0,0|1,0,0]=4 1196 B22R2.1136107 COc1ccc(cc1OC)C=CC(=O)N[C@H]2COC[C@@H]2O 527a_100015191717_100015194992 [0,2,0,1,0,0|1,0,0]=4 1197 B22R2.319517 COc1cc(cc(c1O)Br)C=CC(=O)N2C[C@H]([C@H](C2)O)O 240690a_100015207562_100015195021 [0,2,0,1,0,0|1,0,0]=4 1198 B22R2.319517 COc1cc(cc(c1O)I)C=CC(=O)N2C[C@H]([C@H](C2)O)O 240690a_100015207562_200021160827 [0,2,0,1,0,0|1,0,0]=4 1199 B22R2.6218981 COc1cc(cc(c1O)Br)C=CC(=O)NCC2(COC2)O 240690a_100010264505_100015195021 [0,2,0,1,0,0|1,0,0]=4 1200 B22R2.6218981 COc1cc(cc(c1O)I)C=CC(=O)NCC2(COC2)O 240690a_100010264505_200021160827 [0,2,0,1,0,0|1,0,0]=4 1201 B22R2.8938568 O=C(C=Cc1ccc2c(c1)OC(O2)(F)F)NC[C@H](O)CO 240690a_100020644852_100000036840 [0,2,0,1,0,0|1,0,0]=4 1202 B22R2.85094 COCC(O)CNC(=O)C=Cc1ccc2c(c1)OCCO2 240690a_100000756049_100000179788 [0,2,0,1,0,0|1,0,0]=4 1203 B22R2.541983 CN(CC(O)CO)C(=O)C=Cc1ccc2c(c1)OCCO2 240690a_100011216503_100000179788 [0,2,0,1,0,0|1,0,0]=4 1204 B22R2.1136103 COc1ccc(cc1OC)C=CC(=O)N2C[C@H]([C@H](C2)O)O 11a_100015207562_100015194992 [0,2,0,1,0,0|1,0,0]=4 1205 B22R2.1136103 COc1ccc(cc1OC)C=CC(=O)N2C[C@H]([C@H](C2)O)O 240690a_100015207562_100015194992 [0,2,0,1,0,0|1,0,0]=4 1206 B22R2.1136103 COc1ccc(cc1OC)C=CC(=O)N2C[C@H]([C@H](C2)O)O 527a_100015207562_100015194992 [0,2,0,1,0,0|1,0,0]=4 1207 B22R2.8938099 N#CC(=Cc1ccc2c(c1)OCO2)C(=O)NC[C@H](O)CO 527a_100020644852_100000162677 [0,2,0,1,0,0|1,0,0]=4 1208 B22R2.11814171 COc1ccc(cc1OC)C=CC(=O)NCC2(COC2)O 11a_100010264505_100015194992 [0,2,0,1,0,0|1,0,0]=4 1209 B22R2.11814171 COc1ccc(cc1OC)C=CC(=O)NCC2(COC2)O 240690a_100010264505_100015194992 [0,2,0,1,0,0|1,0,0]=4 1210 B22R2.11814171 COc1ccc(cc1OC)C=CC(=O)NCC2(COC2)O 527a_100010264505_100015194992 [0,2,0,1,0,0|1,0,0]=4 1211 B22R3.633458 O=C(C=Cc1ccc2c(c1)OCO2)N[C@H]3COC[C@@H]3O 11a_100015191717_100000182195 [0,1,0,2,0,0|1,0,0]=4 1212 B22R3.5377748 O=C(C=Cc1ccc2c(c1)OCO2)N3C[C@H]([C@H](C3)O)O 11a_100015207562_100000182195 [0,1,0,2,0,0|1,0,0]=4 1213 B22R3.20300302 O=C(C=Cc1ccc2c(c1)OCO2)NCC3(COC3)O 11a_100010264505_100000182195 [0,1,0,2,0,0|1,0,0]=4 1214 B16R1.4496 COc1cc(ccc1O)CC(=O)CCCO 1458a_100000032101_100011215043 [2,0,0,0,1,0|0,0,1]=4 1215 B16R1.16534 CC(O)CC(=O)C=Cc1ccc(c(c1)Br)O 1458a_200103079279_100011218427 [2,0,0,0,1,0|1,0,0]=4 1216 B16R1.16534 CC(O)CC(=O)C=Cc1ccc(c(c1)Cl)O 1458a_200103117615_100011218427 [2,0,0,0,1,0|1,0,0]=4 1217 B16R1.16534 Cc1cc(ccc1F)C=CC(=O)CC(C)O 1458a_100016261966_100011218427 [2,0,0,0,1,0|1,0,0]=4 1218 B16R1.16534 Cc1ccc(cc1C)C=CC(=O)CC(C)O 1458a_100011338269_100011218427 [2,0,0,0,1,0|1,0,0]=4 1219 B16R1.851 CCC(O)CC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100011218378 [2,0,0,0,1,0|1,0,0]=4 1220 B16R1.851 Cc1cccc(c1)C=CC(=O)C[C@@H](C)CO 1458a_100000690095_100000059175 [2,0,0,0,1,0|1,0,0]=4 1221 B16R1.1734 COc1cc(ccc1O)C(=O)CCCCO 1458a_100000687070_100000210776 [1,0,0,0,2,0|1,0,0]=4 1222 B16R1.1734 COc1cc(ccc1O)C(=O)NCCCO 240690a_100000182051_100000687070 [1,0,0,0,2,0|1,0,0]=4 1223 B16R1.4710 COc1cc(ccc1O)C=CC(=O)C(C)C 1458a_100000182119_100000210206 [1,0,0,0,2,0|1,0,0]=4 1224 B16R1.4761 COc1cc(ccc1O)CC(=O)CC(C)O 1458a_100000032101_100011218427 [1,0,0,0,2,0|0,0,1]=4 1225 B16R1.4761 COc1cc(ccc1O)NC(=O)C[C@@H](C)O 22a_100000726020_100011933948 [1,0,0,0,2,0|1,0,0]=4 1226 B16R1.4709 COc1cc(ccc1O)C(=O)CCC(C)O 1458a_100000687070_100012276601 [1,0,0,0,2,0|1,0,0]=4 1227 B16R1.4709 COc1cc(ccc1O)C(=O)NCC(C)O 240690a_100000210904_100000687070 [1,0,0,0,2,0|1,0,0]=4 1228 B16R1.7454 Cc1cc(ccc1O)C(=O)NC[C@H](O)CO 240690a_100020644852_100000685612 [1,0,0,0,2,0|1,0,0]=4 1229 B16R1.19730 COc1cccc(c1)C(=O)NC[C@H](O)CO 240690a_100020644852_100000188888 [1,0,0,0,2,0|1,0,0]=4 1230 B16R1.19730 COc1cccc(c1)C(=O)NC[C@H](O)CO 527a_100020644852_100000188888 [1,0,0,0,2,0|1,0,0]=4 1231 B16R1.4730 COc1cc(ccc1O)NC(=O)C(O)CO 22a_100000726020_100011215603 [0,0,0,0,3,0|1,0,0]=4 1232 B16R1.4727 CCC(O)CC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100011218378 [0,0,0,0,3,0|1,0,0]=4 1233 B16R1.4727 COc1cc(ccc1O)C(=O)C[C@@H](C)CO 1458a_100000687070_100000059175 [0,0,0,0,3,0|1,0,0]=4