0 B23R3.24624083 Cc1ccc(cc1)Oc2coc3c(c2=O)c(O)cc(c3)O Amb16203036 [0,0,0,0,0,0|2,0,2]=4 1 B23R3.24624083 Oc1cc(O)cc2OC=C(Oc3ccc(Br)cc3)C(=O)c12 Amb18482243 [0,0,0,0,0,0|2,0,2]=4 2 B23R3.24624083 Oc1cc(O)cc2OC=C(Oc3ccc(Cl)cc3)C(=O)c12 Amb21923968 [0,0,0,0,0,0|2,0,2]=4 3 B23R3.24624083 Oc1cc(O)cc2OC=C(Oc3ccc(F)cc3)C(=O)c12 Amb17974158 [0,0,0,0,0,0|2,0,2]=4 4 B23R3.24624083 Oc1cc(O)cc2OC=C(Oc3ccc(I)cc3)C(=O)c12 Amb21913055 [0,0,0,0,0,0|2,0,2]=4 5 B23R3.24624083 Oc1cc(O)cc2OC\C(=C/c3ccc(O)cc3)\C(=O)c12 Amb22172739 [0,0,0,0,0,0|0,0,2]=2 6 B23R3.24624083 Oc1cc2OCC(Cc3ccc(O)cc3)C(=O)c2c(O)c1 Amb22172740 [0,0,0,0,0,0|0,0,0]=0 7 B22R3.15322623 Oc1ccc(\C=C\2/COc3cc(O)ccc3C2=O)cc1 Amb22172791 [1,0,0,0,0,0|0,0,2]=3 8 B22R3.15322623 Oc1ccc(cc1)CC2COc3c(C2=O)ccc(c3)O Amb10564580 [1,0,0,0,0,0|0,0,0]=1 9 B22R3.15322623 Oc1ccc(cc1)OC2=COc3cc(O)ccc3C2=O Amb18363409 [1,0,0,0,0,0|1,0,2]=4 10 B22R3.69824545 Oc1cc(O)cc2OC=C(Oc3ccccc3)C(=O)c12 Amb21913089 [1,0,0,0,0,0|1,0,2]=4 11 B24R3.13356586 COc1ccc(cc1)CC2COc3c(C2=O)c(O)cc(c3)O Amb15770259 [0,1,0,0,0,0|0,0,0]=1 12 B24R3.13356586 COc1ccc(cc1)OC2=COc3cc(O)cc(O)c3C2=O Amb18482238 [0,1,0,0,0,0|1,0,2]=4 13 B24R3.906521688 COc1cc2OC\C(=C/c3ccc(O)cc3)\C(=O)c2c(O)c1 Amb19959197 [0,1,0,0,0,0|0,0,2]=3 14 B22R3.5327493 Oc1cc(O)cc2OC=C(C(=O)c12)c3ccc(Br)cc3 Amb18010288 [0,0,0,0,1,0|1,0,2]=4 15 B22R3.5327493 Oc1cc(O)cc2OC=C(C(=O)c12)c3ccc(Cl)cc3 Amb18010287 [0,0,0,0,1,0|1,0,2]=4 16 B22R3.5327493 Oc1cc(O)cc2OC=C(C(=O)c12)c3ccc(F)cc3 Amb18005776 [0,0,0,0,1,0|1,0,2]=4 17 B22R3.5327493 Oc1cc(O)cc2OC=C(C(=O)c12)c3ccc(O)cc3 Amb17933801 [0,0,0,0,1,0|0,0,2]=3 18 B21R2.43005 COc1cc(O)ccc1C(=O)\C=C\c2ccc(cc2)O Amb10549977 [1,0,1,0,0,0|0,0,2]=4 19 B21R2.362231 Oc1cc(O)c(c(c1)O)C(=O)COc2ccc(cc2)F Amb1418992 [1,0,1,0,0,0|2,0,0]=4 20 B21R2.459857 COc1cccc(O)c1C(=O)C=Cc2ccc(O)cc2 Amb24060076 [1,0,1,0,0,0|0,0,2]=4 21 B21R3.30613 Cc1ccc(CC2CCc3ccccc3C2=O)cc1 Amb23936270 [2,0,0,0,0,0|2,0,0]=4 22 B21R3.30613 O=C1C(Cc2ccc(Cl)cc2)CCc3ccccc31 Amb23936264 [2,0,0,0,0,0|2,0,0]=4 23 B21R3.30613 O=C1C(Cc2ccc(F)cc2)CCc3ccccc31 Amb23936271 [2,0,0,0,0,0|2,0,0]=4 24 B21R3.30613 Oc1ccc(\C=C/2\COc3ccccc3C2=O)cc1 Amb24104570 [2,0,0,0,0,0|0,0,2]=4 25 B21R3.30613 Oc1ccc(\C=C\2/COc3ccccc3C2=O)cc1 Amb19192147 [2,0,0,0,0,0|0,0,2]=4 26 B21R3.659591 Oc1ccc(CC2COc3cc(O)ccc3C2)cc1 Amb22173978 [2,0,0,0,0,0|0,0,1]=3 27 B23R2.14981 COc1cc(O)cc(OC)c1C(=O)\C=C\c2ccc(O)cc2 Amb22172856 [0,1,1,0,0,0|0,0,2]=4 28 B23R2.21587 Cc1c(O)c(C(=O)\C=C\c2ccc(O)cc2)c(cc1O)OC Amb22407076 [0,1,1,0,0,0|0,0,2]=4 29 B23R2.231208 COc1cc(O)cc(O)c1C(=O)CCc2ccc(cc2)OC Amb22172810 [0,1,1,0,0,0|0,0,0]=2 30 B23R2.231208 COc1ccc(cc1)\C=C\C(=O)c2c(cc(O)cc2O)OC Amb22172895 [0,1,1,0,0,0|0,0,2]=4 31 B23R2.399432 COc1cc(O)cc(c1C(=O)CC(c2ccc(cc2)O)O)O Amb10845080 [0,1,1,0,0,0|0,0,0]=2 32 B23R3.9101252 COc1ccc(\C=C/2\COc3cc(O)ccc3C2=O)cc1 Amb22172774 [1,1,0,0,0,0|0,0,2]=4 33 B23R3.9101252 COc1ccc(cc1)CC2COc3c(C2=O)ccc(c3)O Amb15770467 [1,1,0,0,0,0|0,0,0]=2 34 B23R3.137703644 Oc1cc(CC2COc3cc(O)ccc3C2=O)ccc1O Amb22172794 [1,1,0,0,0,0|0,0,0]=2 35 B23R3.137703644 Oc1cc2OC\C(=C/c3cc(O)c(O)cc3)\C(=O)c2cc1 Amb22173585 [1,1,0,0,0,0|0,0,2]=4 36 B23R3.242641 COc1ccc(cc1)C2=COc3cc(O)cc(O)c3C2=O Amb18012239 [0,1,0,0,1,0|0,0,2]=4 37 B23R3.242641 COc1ccc(cc1)C2COc3cc(O)cc(O)c3C2=O Amb22396470 [0,1,0,0,1,0|0,0,0]=2 38 B23R3.24536673 Oc1cc2OCC(C(=O)c2c(O)c1)c3cc(O)c(O)cc3 Amb22173675 [0,1,0,0,1,0|0,0,0]=2 39 B23R3.24536673 Oc1ccc(cc1O)C2=COc3cc(O)cc(O)c3C2=O Amb22172748 [0,1,0,0,1,0|0,0,2]=4 40 B23R3.29719259 COc1cc(O)cc2OC=C(C(=O)c12)c3ccc(O)cc3 Amb19742205 [0,1,0,0,1,0|0,0,2]=4 41 B23R3.142662276 Oc1cc(O)c(cc1)C2=COc3cc(O)cc(O)c3C2=O Amb19928275 [0,1,0,0,1,0|0,0,2]=4 42 B23R3.199772359 COc1cc2OC=C(C(=O)c2c(O)c1)c3ccc(O)cc3 Amb18511596 [0,1,0,0,1,0|0,0,2]=4 43 B23R3.24513547 Oc1ccc(\C=C\2/Oc3cc(O)cc(O)c3C2=O)cc1O Amb19130587 [0,1,0,0,1,0|0,0,2]=4 44 B25R3.2733091 Cc1c(O)cc2OCC(Cc3ccc(cc3)OC)C(=O)c2c1O Amb22584600 [0,2,0,0,0,0|0,0,0]=2 45 B25R3.69028069 COc1ccc(CC2COc3cc(O)cc(O)c3C2=O)cc1O Amb22172741 [0,2,0,0,0,0|0,0,0]=2 46 B25R3.970094917 COc1cc(O)c2c(OCC(Cc3ccc(O)cc3)C2=O)c1O Amb22172747 [0,2,0,0,0,0|0,0,0]=2 47 B23R3.29715607 COc1cc(O)cc2OC(=CC(=O)c12)c3ccc(O)cc3 Amb22172907 [0,0,1,1,0,0|0,0,2]=4 48 B23R3.29715607 COc1cc(O)cc2O[C@@H](CC(=O)c12)c3ccc(O)cc3 Amb22748585 [0,0,1,1,0,0|0,0,0]=2 49 B23R3.71745916 Oc1ccc(cc1)[C@H]2Oc3cc(O)cc(c3C(=O)[C@@H]2O)O Amb16192992 [0,0,1,1,0,0|1,0,0]=3 50 B21R3.3759272 Oc1ccc(cc1)C2=COc3cc(O)ccc3C2=O Amb17933362 [1,0,0,0,1,0|0,0,2]=4 51 B21R3.9446779 Oc1ccc(cc1)\C=C/2\Oc3c(C2=O)ccc(c3)O Amb10564584 [1,0,0,0,1,0|0,0,2]=4 52 B21R3.29513194 Oc1cc(O)cc2OC=C(C(=O)c12)c3ccccc3 Amb18048930 [1,0,0,0,1,0|0,0,2]=4 53 B23R3.71761172 Oc1ccc(cc1)OC2=CC(=O)c3c(cc(O)cc3O)O2 Amb22172819 [0,0,0,0,1,1|1,0,1]=4