0 B23R3.26139327 CN(C)CCC=C1c2ccccc2CCc3ccccc31 Amb22492837 [0,0,0,0,0,0|1,0,1]=2 1 B23R3.26139327 CN(C)CCCC1c2ccccc2COc3ccccc31 Amb22442707 [0,0,0,0,0,0|2,0,0]=2 2 B23R3.26139327 CN(C)CCCC1c2ccccc2CSc3ccccc31 Amb24309707 [0,0,0,0,0,0|2,0,0]=2 3 B23R3.26139327 CN(C)CCNC1c2ccccc2CCc3ccccc31 Amb22446491 [0,0,0,0,0,0|2,0,0]=2 4 B23R3.26139327 CN(C)CC\C=C\1/c2ccccc2COc3ccccc31 Amb22233544 [0,0,0,0,0,0|2,0,1]=3 5 B23R3.26139327 CN(C)CC\C=C\1/c2ccccc2COc3ccccc31 Amb22729577 [0,0,0,0,0,0|2,0,1]=3 6 B23R3.26139327 CN(C)CC\C=C\1/c2ccccc2CSc3ccccc31 Amb22729272 [0,0,0,0,0,0|2,0,1]=3 7 B23R3.26139327 CN(C)CC\C=C\1/c2ccccc2CSc3ccccc31 Amb22733111 [0,0,0,0,0,0|2,0,1]=3 8 B23R3.26139327 CN(CCCN1c2ccccc2CCc3c1cccc3)C Amb2444037 [0,0,0,0,0,0|0,0,0]=0 9 B23R3.26139327 CN(CC\C=C\1/c2ccccc2OCc3c1cccc3)C Amb10843677 [0,0,0,0,0,0|2,0,1]=3 10 B23R3.26139327 C[NH+](C)CC\C=C\1/c2ccccc2COc3ccccc31 Amb21935689 [0,0,0,0,0,0|2,0,2]=4 11 B23R3.26139327 [13CH3]N([13CH2]CC=C1c2ccccc2CCc3c1cccc3)[13CH3] Amb17608345 [0,0,0,0,0,0|1,0,1]=2 12 B22R3.12627361 CCNCCN1c2ccccc2CCc3ccccc13 Amb22455661 [1,0,0,0,0,0|2,0,0]=3 13 B22R3.12627361 CNCCC=C1c2ccccc2CCc3c1cccc3 Amb1161258 [1,0,0,0,0,0|1,0,1]=3 14 B22R3.12627361 CNCCC=C1c2ccccc2CCc3c1cccc3 Amb2371759 [1,0,0,0,0,0|1,0,1]=3 15 B22R3.12627361 CNCC\C=C/1\c2ccccc2COc3ccccc31 Amb22455380 [1,0,0,0,0,0|2,0,1]=4 16 B22R3.12627361 CNCC\C=C\1/c2ccccc2COc3ccccc31 Amb22731131 [1,0,0,0,0,0|2,0,1]=4 17 B24R3.2438581 CN(C)CC\C=C\1/c2ccccc2COc3cc(O)ccc31 Amb19132587 [0,1,0,0,0,0|2,0,1]=4 18 B24R3.2438581 CN(CCCN1c2ccccc2CCc3c1ccc(c3)O)C Amb17615436 [0,1,0,0,0,0|0,0,0]=1 19 B24R3.2438581 CN(CC\C=C\1/c2ccccc2OCc3c1ccc(c3)O)C Amb17615325 [0,1,0,0,0,0|2,0,1]=4 20 B24R3.115675198 CC(CC1c2ccccc2CCc3ccccc31)CN(C)C Amb22732310 [0,1,0,0,0,0|1,0,0]=2 21 B24R3.115675198 CN(C)CC(C)CN1c2ccccc2CCc3ccccc13 Amb22352116 [0,1,0,0,0,0|0,0,0]=1 22 B24R3.115675198 CN(C)CC(C)CN1c2ccccc2CCc3ccccc13 Amb24122678 [0,1,0,0,0,0|0,0,0]=1 23 B24R3.115675198 CN(CC(CC1c2ccccc2CCc3c1cccc3)C)C Amb17610138 [0,1,0,0,0,0|1,0,0]=2 24 B24R3.115675198 CN(CC(CN1c2ccccc2CCc3c1cccc3)C)C Amb10843746 [0,1,0,0,0,0|0,0,0]=1 25 B24R3.118819978 CN(C)CC\C=C/1\c2cc(Cl)ccc2COc3ccccc31 Amb22479460 [0,1,0,0,0,0|2,0,1]=4 26 B24R3.118819978 CN(C)CC\C=C/1\c2ccccc2COc3ccc(Cl)cc31 Amb22455663 [0,1,0,0,0,0|2,0,1]=4 27 B24R3.118819978 CN(C)CC\C=C\1/c2cc(F)ccc2CSc3ccccc31 Amb22000151 [0,1,0,0,0,0|2,0,1]=4 28 B24R3.118819978 CN(C)CC\C=C\1/c2ccccc2COc3ccc(O)cc31 Amb19132586 [0,1,0,0,0,0|2,0,1]=4 29 B24R3.218520876 CN(C)CC\C=C/1\c2ccccc2CC(O)c3ccccc31 Amb24310098 [0,1,0,0,0,0|1,0,1]=3 30 B24R3.218520876 CN(C)CC\C=C/1\c2ccccc2CS(=O)c3ccccc31 Amb22000099 [0,1,0,0,0,0|2,0,1]=4 31 B24R3.218520876 CN(CC\C=C/1\c2ccccc2CC(c3c1cccc3)O)C Amb17615136 [0,1,0,0,0,0|1,0,1]=3 32 B24R3.1505225918 C[N+](C)([O-])CCC=C1c2ccccc2CCc3ccccc31 Amb22731687 [0,1,0,0,0,0|1,0,2]=4 33 B24R3.1505225918 C[N+](C)([O-])CCCN1c2ccccc2CCc3ccccc13 Amb22735068 [0,1,0,0,0,0|0,0,1]=2 34 B24R3.1505225918 [O-][N+](CCCN1c2ccccc2CCc3c1cccc3)(C)C Amb17616057 [0,1,0,0,0,0|0,0,1]=2 35 B22R2.26914 CC(C)NCCNc1ccccc1OCc2ccccc2 Amb20214887 [0,0,1,0,0,0|3,0,0]=4 36 B24R4.411822155 CN(C)Cc1c[n]-2c3c1cccc3CCc4ccccc24 Amb22442770 [0,0,0,1,0,0|0,0,2]=3 37 B22R3.16182945 CN(CCCN1c2ccccc2Sc3c1nccc3)C Amb17619630 [0,0,0,0,1,0|2,0,0]=3 38 B21R2.205989 CN(C)CCCC(c1ccccc1O)c2ccccc2 Amb24089873 [1,0,1,0,0,0|2,0,0]=4 39 B21R2.205989 CN(C)CCOC(c1ccccc1)c2ccccc2C Amb17679053 [1,0,1,0,0,0|2,0,0]=4 40 B21R2.205989 CN(CCOC(c1ccccc1C)c2ccccc2)C Amb10609972 [1,0,1,0,0,0|2,0,0]=4 41 B21R3.590114 NCCCN1c2ccccc2CCc3ccccc13 Amb24309866 [2,0,0,0,0,0|0,0,0]=2 42 B21R3.590114 NOCCN1c2ccccc2CCc3ccccc13 Amb22364469 [2,0,0,0,0,0|1,0,0]=3 43 B23R3.19658479 CNCCCN1c2ccccc2CCc3c1ccc(c3)O Amb17615281 [1,1,0,0,0,0|0,0,0]=2 44 B23R3.21774393 CNCC(CN1c2ccccc2CCc3c1cccc3)C Amb17611805 [1,1,0,0,0,0|0,0,0]=2 45 B23R3.21774393 CNCC(O)CN1c2ccccc2CCc3ccccc13 Amb22477981 [1,1,0,0,0,0|0,0,0]=2 46 B23R3.25657126 CCNCCCN1c2ccccc2CCc3ccccc13 Amb22464589 [1,1,0,0,0,0|0,0,0]=2 47 B23R3.38836458 CNCCCN1c2ccccc2CCc3c1cc(Cl)cc3 Amb17612162 [1,1,0,0,0,0|0,0,0]=2 48 B23R3.153679454 CNCC\C=C/1\c2ccccc2CC(c3c1cccc3)O Amb17615650 [1,1,0,0,0,0|1,0,1]=4 49 B23R3.153679454 CNCC\C=C\1/c2ccccc2CC(O)c3ccccc31 Amb19132676 [1,1,0,0,0,0|1,0,1]=4 50 B23R3.237256451 CNCCCC1(O)c2ccccc2CSc3ccccc13 Amb24309767 [1,1,0,0,0,0|2,0,0]=4 51 B23R3.17309 CN(C)CCCN1c2ccc(O)cc2Sc3ccccc13 Amb22481960 [0,1,0,0,1,0|1,0,0]=3 52 B23R3.17309 CN(CCCN1c2ccccc2Sc3c1ccc(c3)Cl)C Amb16208844 [0,1,0,0,1,0|1,0,0]=3 53 B23R3.17309 CN(CCCN1c2ccccc2Sc3c1ccc(c3)Cl)C Amb2137061 [0,1,0,0,1,0|1,0,0]=3 54 B23R3.10324912 CN(CCCN1c2ccccc2Sc3c1cc(Cl)cc3)C Amb1869496 [0,1,0,0,1,0|1,0,0]=3 55 B23R3.10324912 CN(CCCN1c2ccccc2Sc3c1cc(O)cc3)C Amb17615773 [0,1,0,0,1,0|1,0,0]=3 56 B23R3.41925352 CN(C)CCC(=O)C1c2ccccc2Cc3ccccc31 Amb22496586 [0,1,0,0,1,0|1,0,1]=4 57 B23R3.41925352 CN(CCC(=O)N1c2ccccc2Sc3c1cccc3)C Amb10811793 [0,1,0,0,1,0|1,0,1]=4 58 B23R3.71886310 CN(CC(CN1c2ccccc2Sc3c1cccc3)C)C Amb10843719 [0,1,0,0,1,0|1,0,0]=3 59 B23R3.94902302 CN(CCCN1c2ccccc2S(=O)c3c1nccc3)C Amb17619631 [0,1,0,0,1,0|2,0,0]=4 60 B23R3.434039265 CN(C)(=O)CCCN1c2ccccc2Sc3ccccc13 Amb22473104 [0,1,0,0,1,0|1,0,1]=4 61 B25R3.2617190 CN(CC(CN1c2ccccc2CCc3c1ccc(c3)O)C)C Amb17615931 [0,2,0,0,0,0|0,0,0]=2 62 B25R3.727002033 CC(C[N+](C)(C)[O-])CN1c2ccccc2CCc3c1cccc3 Amb17621085 [0,2,0,0,0,0|0,0,1]=3 63 B25R3.84471985 CN(C)CCCN1c2ccccc2CCc3ccc(cc13)C#N Amb22734960 [0,2,0,0,0,0|0,0,0]=2 64 B25R3.124291931 Clc1ccc2c(c1)N(CCC[N+](C)(C)[O-])c3ccccc3CC2 Amb17611257 [0,2,0,0,0,0|0,0,1]=3 65 B23R3.73272 CN(CCCn1c(nc2c1cccc2)c3ccccc3)C Amb10978967 [0,0,1,1,0,0|1,0,1]=4 66 B25R4.18463788 CN1CC(CCC1)N2c3ccccc3CCc4ccccc24 Amb22446453 [0,0,0,1,0,1|0,0,0]=2 67 B21R2.13007 CN(C)CCNc1ccccc1OCc2ccccc2 Amb19966669 [0,0,1,0,1,0|1,0,0]=3 68 B21R2.13007 CN(C)CCOc1ccccc1CCc2ccccc2 Amb24089612 [0,0,1,0,1,0|1,0,0]=3 69 B21R3.8069667 CNCCCN1c2ccccc2Oc3ccccc13 Amb22481415 [1,0,0,0,1,0|1,0,0]=3 70 B21R3.8069667 CNCCCN1c2ccccc2Sc3ccccc13 Amb22464042 [1,0,0,0,1,0|1,0,0]=3 71 B21R3.7877738 CC(C)CCN1c2ccccc2Sc3ccccc13 Amb17778285 [0,0,0,0,2,0|2,0,0]=4 72 B21R3.7877738 CN(C)CCN1c2ccccc2Oc3ccccc13 Amb22463976 [0,0,0,0,2,0|1,0,0]=3 73 B21R3.7877738 CN(C)CCN1c2ccccc2Sc3ccccc13 Amb19960009 [0,0,0,0,2,0|1,0,0]=3 74 B21R3.9913503 CN(C)CCNC1c2ccccc2-c3ccccc31 Amb22359914 [0,0,0,0,2,0|2,0,0]=4 75 B21R3.9913503 CN(CCCn1c2ccccc2c3c1cccc3)C Amb10560291 [0,0,0,0,2,0|0,0,0]=2 76 B21R3.9913503 CN(CCCn1c2ccccc2c3c1cccc3)C Amb10560292 [0,0,0,0,2,0|0,0,0]=2