0 B23R3.26139327 CN(C)CCC=C1c2ccccc2CCc3ccccc31 Amb22492837 [0,0,0,0,0,0|0,0,0]=0 1 B23R3.26139327 CN(C)CCCC1c2ccccc2COc3ccccc31 Amb22442707 [0,0,0,0,0,0|1,0,2]=3 2 B23R3.26139327 CN(C)CCCC1c2ccccc2CSc3ccccc31 Amb24309707 [0,0,0,0,0,0|1,0,2]=3 3 B23R3.26139327 CN(C)CCNC1c2ccccc2CCc3ccccc31 Amb22446491 [0,0,0,0,0,0|1,0,1]=2 4 B23R3.26139327 CN(C)CC\C=C\1/c2ccccc2COc3ccccc31 Amb22233544 [0,0,0,0,0,0|1,0,0]=1 5 B23R3.26139327 CN(C)CC\C=C\1/c2ccccc2COc3ccccc31 Amb22729577 [0,0,0,0,0,0|1,0,0]=1 6 B23R3.26139327 CN(C)CC\C=C\1/c2ccccc2CSc3ccccc31 Amb22729272 [0,0,0,0,0,0|1,0,0]=1 7 B23R3.26139327 CN(C)CC\C=C\1/c2ccccc2CSc3ccccc31 Amb22733111 [0,0,0,0,0,0|1,0,0]=1 8 B23R3.26139327 CN(CCCN1c2ccccc2CCc3c1cccc3)C Amb2444037 [0,0,0,0,0,0|1,0,1]=2 9 B23R3.26139327 CN(CC\C=C\1/c2ccccc2OCc3c1cccc3)C Amb10843677 [0,0,0,0,0,0|1,0,0]=1 10 B23R3.26139327 C[NH+](C)CC\C=C\1/c2ccccc2COc3ccccc31 Amb21935689 [0,0,0,0,0,0|1,0,1]=2 11 B23R3.26139327 OC(=O)CCC=C1c2ccccc2CCc3c1cccc3 Amb16227976 [0,0,0,0,0,0|3,0,0]=3 12 B23R3.26139327 [13CH3]N([13CH2]CC=C1c2ccccc2CCc3c1cccc3)[13CH3] Amb17608345 [0,0,0,0,0,0|0,0,0]=0 13 B22R3.12627361 CNCCC=C1c2ccccc2C=Cc3c1cccc3 Amb17612157 [1,0,0,0,0,0|0,0,2]=3 14 B22R3.12627361 CNCCC=C1c2ccccc2CCc3c1cccc3 Amb1161258 [1,0,0,0,0,0|0,0,0]=1 15 B22R3.12627361 CNCCC=C1c2ccccc2CCc3c1cccc3 Amb2371759 [1,0,0,0,0,0|0,0,0]=1 16 B22R3.12627361 CNCC\C=C/1\c2ccccc2COc3ccccc31 Amb22455380 [1,0,0,0,0,0|1,0,0]=2 17 B22R3.12627361 CNCC\C=C\1/c2ccccc2COc3ccccc31 Amb22731131 [1,0,0,0,0,0|1,0,0]=2 18 B22R3.12627361 C[NH2+]CCC=C1c2ccccc2C=Cc3ccccc31 Amb22232065 [1,0,0,0,0,0|0,0,3]=4 19 B24R3.2438581 CN(C)CC\C=C\1/c2ccccc2COc3cc(O)ccc31 Amb19132587 [0,1,0,0,0,0|1,0,0]=2 20 B24R3.2438581 CN(CCCN1c2ccccc2CCc3c1ccc(c3)O)C Amb17615436 [0,1,0,0,0,0|1,0,1]=3 21 B24R3.2438581 CN(CC\C=C\1/c2ccccc2OCc3c1ccc(c3)O)C Amb17615325 [0,1,0,0,0,0|1,0,0]=2 22 B24R3.40764905 CN(CC\C=C\1/c2ccccc2COc3ccccc31)C=O Amb19131660 [0,1,0,0,0,0|1,0,1]=3 23 B24R3.115675198 CC(CC1c2ccccc2CCc3ccccc31)CN(C)C Amb22732310 [0,1,0,0,0,0|0,0,2]=3 24 B24R3.115675198 CN(C)CC(C)CN1c2ccccc2CCc3ccccc13 Amb22352116 [0,1,0,0,0,0|1,0,1]=3 25 B24R3.115675198 CN(C)CC(C)CN1c2ccccc2CCc3ccccc13 Amb24122678 [0,1,0,0,0,0|1,0,1]=3 26 B24R3.115675198 CN(CC(CC1c2ccccc2CCc3c1cccc3)C)C Amb17610138 [0,1,0,0,0,0|0,0,2]=3 27 B24R3.115675198 CN(CC(CN1c2ccccc2CCc3c1cccc3)C)C Amb10843746 [0,1,0,0,0,0|1,0,1]=3 28 B24R3.118819978 CN(C)CC\C=C/1\c2cc(Cl)ccc2COc3ccccc31 Amb22479460 [0,1,0,0,0,0|1,0,0]=2 29 B24R3.118819978 CN(C)CC\C=C/1\c2ccccc2COc3ccc(Cl)cc31 Amb22455663 [0,1,0,0,0,0|1,0,0]=2 30 B24R3.118819978 CN(C)CC\C=C\1/c2cc(F)ccc2CSc3ccccc31 Amb22000151 [0,1,0,0,0,0|1,0,0]=2 31 B24R3.118819978 CN(C)CC\C=C\1/c2ccccc2COc3ccc(O)cc31 Amb19132586 [0,1,0,0,0,0|1,0,0]=2 32 B24R3.118819978 CN(CC\C=C/1\c2ccccc2C=Cc3c1cc(O)cc3)C Amb17615264 [0,1,0,0,0,0|0,0,2]=3 33 B24R3.218520876 CN(C)CC\C=C/1\c2ccccc2CC(O)c3ccccc31 Amb24310098 [0,1,0,0,0,0|0,0,0]=1 34 B24R3.218520876 CN(C)CC\C=C/1\c2ccccc2CS(=O)c3ccccc31 Amb22000099 [0,1,0,0,0,0|1,0,0]=2 35 B24R3.218520876 CN(CC\C=C/1\c2ccccc2CC(c3c1cccc3)O)C Amb17615136 [0,1,0,0,0,0|0,0,0]=1 36 B24R3.1505225918 C[N+](C)([O-])CCC=C1c2ccccc2CCc3ccccc31 Amb22731687 [0,1,0,0,0,0|0,0,1]=2 37 B24R3.1505225918 C[N+](C)([O-])CCCN1c2ccccc2CCc3ccccc13 Amb22735068 [0,1,0,0,0,0|1,0,2]=4 38 B24R3.1505225918 C[N+](C)([O-])CC\C=C\1/c2ccccc2COc3ccccc31 Amb19132050 [0,1,0,0,0,0|1,0,1]=3 39 B24R3.1505225918 [O-][N+](CCC=C1c2ccccc2C=Cc3c1cccc3)(C)C Amb17611443 [0,1,0,0,0,0|0,0,3]=4 40 B24R3.1505225918 [O-][N+](CCCN1c2ccccc2CCc3c1cccc3)(C)C Amb17616057 [0,1,0,0,0,0|1,0,2]=4 41 B24R4.411822155 CN(C)Cc1c[n]-2c3c1cccc3CCc4ccccc24 Amb22442770 [0,0,0,1,0,0|1,0,1]=3 42 B21R2.205989 CN(C)CCOC(c1ccccc1)c2ccccc2C Amb17679053 [1,0,1,0,0,0|1,0,1]=4 43 B21R2.205989 CN(CCOC(c1ccccc1C)c2ccccc2)C Amb10609972 [1,0,1,0,0,0|1,0,1]=4 44 B21R3.590114 N#CCC=C1c2ccccc2CCc3c1cccc3 Amb16210954 [2,0,0,0,0,0|0,0,2]=4 45 B21R3.590114 NCCCN1c2ccccc2CCc3ccccc13 Amb24309866 [2,0,0,0,0,0|1,0,1]=4 46 B23R2.182447 CN(C)CC\C=C\c1cc(Cl)ccc1OCc2ccccc2 Amb22489405 [0,1,1,0,0,0|1,0,0]=3 47 B23R3.19658479 CNCCCN1c2ccccc2CCc3c1ccc(c3)O Amb17615281 [1,1,0,0,0,0|1,0,1]=4 48 B23R3.21774393 CNCC(CN1c2ccccc2CCc3c1cccc3)C Amb17611805 [1,1,0,0,0,0|1,0,1]=4 49 B23R3.21774393 CNCC(O)CN1c2ccccc2CCc3ccccc13 Amb22477981 [1,1,0,0,0,0|1,0,1]=4 50 B23R3.25657126 CCNCCCN1c2ccccc2CCc3ccccc13 Amb22464589 [1,1,0,0,0,0|1,0,1]=4 51 B23R3.38836458 CNCCCN1c2ccccc2CCc3c1cc(Cl)cc3 Amb17612162 [1,1,0,0,0,0|1,0,1]=4 52 B23R3.38836458 CNCC\C=C\1/c2ccccc2COc3ccc(Cl)cc31 Amb22442696 [1,1,0,0,0,0|1,0,0]=3 53 B23R3.153679454 CNCC\C=C/1\c2ccccc2CC(c3c1cccc3)O Amb17615650 [1,1,0,0,0,0|0,0,0]=2 54 B23R3.153679454 CNCC\C=C\1/c2ccccc2CC(O)c3ccccc31 Amb19132676 [1,1,0,0,0,0|0,0,0]=2 55 B23R3.16418647 CN(CC\C=C/1\c2ccccc2CS(=O)c3c1ccs3)C Amb16207415 [0,1,0,0,1,0|2,0,0]=4 56 B23R3.16418647 CN(CC\C=C/1\c2ccccc2CS(=O)c3c1ccs3)C Amb16207441 [0,1,0,0,1,0|2,0,0]=4 57 B23R3.89863139 CN(C)CC\C=C\1/c2cc(Cl)ccc2CSc3[s]ccc31 Amb22439124 [0,1,0,0,1,0|2,0,0]=4 58 B23R3.10324912 CN(C)CC\C=C\1/c2ccccc2Sc3ccc(Cl)cc31 Amb22264876 [0,1,0,0,1,0|1,0,0]=3 59 B23R3.10324912 CN(C)CC\C=C\1/c2ccccc2Sc3ccc(Cl)cc31 Amb22729274 [0,1,0,0,1,0|1,0,0]=3 60 B23R3.41925352 CN(C)CCC(=O)C1c2ccccc2Cc3ccccc31 Amb22496586 [0,1,0,0,1,0|0,0,1]=3 61 B23R3.41925352 CN(CCC(=O)N1c2ccccc2Sc3c1cccc3)C Amb10811793 [0,1,0,0,1,0|2,0,0]=4 62 B25R3.124290743 CC(C)NCC\C=C/1\c2ccccc2COc3ccc(Cl)cc31 Amb22464611 [0,1,0,0,0,1|2,0,0]=4 63 B25R3.2617190 CN(CC(CN1c2ccccc2CCc3c1ccc(c3)O)C)C Amb17615931 [0,2,0,0,0,0|1,0,1]=4 64 B25R3.57381326 CN(CC#C)CC\C=C\1/c2ccccc2CSc3ccccc31 Amb22000150 [0,2,0,0,0,0|1,0,0]=3 65 B25R3.57381326 CN(CC=C)CC\C=C\1/c2ccccc2CSc3ccccc31 Amb22000149 [0,2,0,0,0,0|1,0,0]=3 66 B25R3.84471985 CN(C)CCCN1c2ccccc2CCc3ccc(cc13)C#N Amb22734960 [0,2,0,0,0,0|1,0,1]=4 67 B25R3.84471985 CN(C)CC\C=C/1\c2ccccc2COc3ccc(cc31)SC Amb22442931 [0,2,0,0,0,0|1,0,0]=3 68 B25R3.84471985 CN(C)CC\C=C\1/c2ccccc2CSc3ccc(cc31)C#N Amb24309696 [0,2,0,0,0,0|1,0,0]=3 69 B25R3.84471985 COc1cc2\C(=C/CCN(C)C)\c3ccccc3COc2cc1 Amb22455366 [0,2,0,0,0,0|1,0,0]=3 70 B25R3.84471985 COc1ccc2COc3ccccc3\C(=C/CCN(C)C)\c2c1 Amb22464074 [0,2,0,0,0,0|1,0,0]=3 71 B25R4.18463788 CN1CC(CCC1)N2c3ccccc3CCc4ccccc24 Amb22446453 [0,0,0,1,0,1|1,0,1]=4 72 B25R4.17983575 CN1CCC(CC1)=C2c3[n]cccc3CCc4ccccc42 Amb22054357 [0,1,0,1,0,0|1,0,0]=3 73 B25R4.17983575 CN1CCC(CC1)=C2c3[n]cccc3CCc4ccccc42 Amb22168492 [0,1,0,1,0,0|1,0,0]=3 74 B25R4.17983575 CN1CCC(CC1)=C2c3ccccc3C=Cc4ccccc42 Amb22338754 [0,1,0,1,0,0|0,0,2]=4 75 B25R4.17983575 CN1CCC(CC1)=C2c3ccccc3SCc4ccccc42 Amb24309807 [0,1,0,1,0,0|1,0,0]=3 76 B21R2.13007 CN(C)CCNc1ccccc1OCc2ccccc2 Amb19966669 [0,0,1,0,1,0|2,0,0]=4 77 B21R2.13007 CN(C)CCOc1ccccc1CCc2ccccc2 Amb24089612 [0,0,1,0,1,0|1,0,0]=3 78 B21R3.7877738 CN(C)CCN1c2ccccc2Oc3ccccc13 Amb22463976 [0,0,0,0,2,0|2,0,0]=4 79 B21R3.7877738 CN(C)CCN1c2ccccc2Sc3ccccc13 Amb19960009 [0,0,0,0,2,0|2,0,0]=4 80 B21R3.7877738 CN(C)\N=C\c1c2ccccc2cc3ccccc31 Amb23526883 [0,0,0,0,2,0|1,0,1]=4 81 B21R3.9913503 CN(C)CCNC1c2ccccc2-c3ccccc31 Amb22359914 [0,0,0,0,2,0|1,0,1]=4 82 B21R3.9913503 CN(CCCn1c2ccccc2c3c1cccc3)C Amb10560291 [0,0,0,0,2,0|1,0,1]=4 83 B21R3.9913503 CN(CCCn1c2ccccc2c3c1cccc3)C Amb10560292 [0,0,0,0,2,0|1,0,1]=4