0 B27R4.266271800 C(O)([C@@H]1CC2CC[N@@]1CC2C=C)c3ccnc4ccc(OC)cc34 Amb17772558 [0,0,0,0,0,0|0,0,0]=0 1 B27R4.266271800 C=C[C@@H]1CN2CC[C@@H]1C[C@H]2[C@H](c3ccnc4c3cc(OC)cc4)O Amb10072130 [0,0,0,0,0,0|0,0,0]=0 2 B27R4.266271800 C=C[C@H]1CN2CCC1CC2C(=O)c3ccnc4c3cc(OC)cc4 Amb16227286 [0,0,0,0,0,0|0,0,2]=2 3 B27R4.266271800 CCC1CN2CCC1CC2[C@H](c3ccnc4c3cc(OC)cc4)O Amb10241346 [0,0,0,0,0,0|0,0,2]=2 4 B27R4.266271800 CC[C@@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](O)c3cc[n]c4ccc(cc34)OC Amb22744844 [0,0,0,0,0,0|0,0,2]=2 5 B27R4.266271800 CC[C@@H]1CN2CC[C@@H]1C[C@H]2[C@H](O)c3cc[n]c4ccc(cc34)OC Amb22456109 [0,0,0,0,0,0|0,0,2]=2 6 B27R4.266271800 CC[C@@H]1CN2CC[C@@H]1C[C@H]2[C@H](O)c3cc[n]c4ccc(cc34)OC Amb22799843 [0,0,0,0,0,0|0,0,2]=2 7 B27R4.266271800 CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c3cc[n]c4ccc(cc34)OC Amb22351289 [0,0,0,0,0,0|0,0,2]=2 8 B27R4.266271800 COc1cc2c(cc1)[n]ccc2C(O)C3CC4CCN3CC4C=C Amb24068641 [0,0,0,0,0,0|0,0,0]=0 9 B27R4.266271800 COc1cc2c(cc1)[n]ccc2C(O)C3CC4CC[NH+]3CC4C=C Amb22801387 [0,0,0,0,0,0|0,0,1]=1 10 B27R4.266271800 COc1cc2c(cc[n]c2cc1)C(O)C3CC4CCN3CC4C=C Amb22732234 [0,0,0,0,0,0|0,0,0]=0 11 B27R4.266271800 COc1cc2c(cc[n]c2cc1)C(O)C3CC4CCN3CC4C=C Amb22734179 [0,0,0,0,0,0|0,0,0]=0 12 B27R4.266271800 COc1cc2c(cc[n]c2cc1)[C@@H](O)[C@@H]3CC4CCN3CC4C=C Amb22799689 [0,0,0,0,0,0|0,0,0]=0 13 B27R4.266271800 COc1cc2c(cc[n]c2cc1)[C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C Amb20242455 [0,0,0,0,0,0|0,0,0]=0 14 B27R4.266271800 COc1cc2c(cc[n]c2cc1)[C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C Amb22746088 [0,0,0,0,0,0|0,0,0]=0 15 B27R4.266271800 COc1cc2c(cc[n]c2cc1)[C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C Amb24053065 [0,0,0,0,0,0|0,0,0]=0 16 B27R4.266271800 COc1cc2c(cc[n]c2cc1)[C@H](O)[C@H]3CC4CCN3C[C@H]4C=C Amb22352133 [0,0,0,0,0,0|0,0,0]=0 17 B27R4.266271800 COc1cc2c(cc[n]c2cc1)[C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C Amb20242451 [0,0,0,0,0,0|0,0,0]=0 18 B27R4.266271800 COc1ccc2[n]ccc(C(N)C3CC4CCN3CC4C=C)c2c1 Amb22492798 [0,0,0,0,0,0|1,0,0]=1 19 B27R4.266271800 COc1ccc2[n]ccc(C(O)[C@@H]3C[C@H]4CC[N@@]3C[C@H]4C=C)c2c1 Amb24325881 [0,0,0,0,0,0|0,0,0]=0 20 B27R4.266271800 COc1ccc2[n]ccc([C@@H](N)C3CC4CCN3CC4C=C)c2c1 Amb24181611 [0,0,0,0,0,0|1,0,0]=1 21 B27R4.266271800 COc1ccc2[n]ccc([C@@H](O)C3CC4CCN3CC4C=C)c2c1 Amb22801177 [0,0,0,0,0,0|0,0,0]=0 22 B27R4.266271800 COc1ccc2[n]ccc([C@@H](O)C3CC4CCN3C[C@@H]4C=C)c2c1 Amb22901142 [0,0,0,0,0,0|0,0,0]=0 23 B27R4.266271800 COc1ccc2[n]ccc([C@@H](O)[C@@H]3CC4CCN3CC4C=C)c2c1 Amb22801484 [0,0,0,0,0,0|0,0,0]=0 24 B27R4.266271800 COc1ccc2[n]ccc([C@@H](O)[C@@H]3CC4CCN3C[C@H]4C=C)c2c1 Amb19133761 [0,0,0,0,0,0|0,0,0]=0 25 B27R4.266271800 COc1ccc2[n]ccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 Amb19668452 [0,0,0,0,0,0|0,0,0]=0 26 B27R4.266271800 COc1ccc2[n]ccc([C@@H](O)[C@@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)c2c1 Amb18511512 [0,0,0,0,0,0|0,0,0]=0 27 B27R4.266271800 COc1ccc2[n]ccc([C@@H](O)[C@@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)c2c1 Amb22801005 [0,0,0,0,0,0|0,0,0]=0 28 B27R4.266271800 COc1ccc2[n]ccc([C@@H](O)[C@@H]3C[C@H]4CCN3C[C@H]4C=C)c2c1 Amb19516132 [0,0,0,0,0,0|0,0,0]=0 29 B27R4.266271800 COc1ccc2[n]ccc([C@@H](O)[C@@H]3C[C@H]4CC[N@@]3C[C@H]4C=C)c2c1 Amb22801198 [0,0,0,0,0,0|0,0,0]=0 30 B27R4.266271800 COc1ccc2c(c1)c(ccn2)[C@@H]([C@H]3C[C@@H]4CCN3C[C@@H]4C=C)O Amb10843579 [0,0,0,0,0,0|0,0,0]=0 31 B27R4.266271800 COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 Amb17772332 [0,0,0,0,0,0|0,0,0]=0 32 B27R4.266271800 COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 Amb17943097 [0,0,0,0,0,0|0,0,0]=0 33 B27R4.266271800 C\C=C\1/CN2CCC1C[C@@H]2[C@@H](O)c3cc[n]c4ccc(cc34)OC Amb19132852 [0,0,0,0,0,0|0,0,2]=2 34 B27R4.266271800 C\C=C\1/CN2CC[C@@H]1CC2[C@@H](O)c3cc[n]c4ccc(cc34)OC Amb24309672 [0,0,0,0,0,0|0,0,2]=2 35 B27R4.266271800 [C@@H]1(C[C@@H]2CC[N@]1C[C@@H]2C=C)[C@@H](O)c3ccnc4ccc(OC)cc34 Amb17835341 [0,0,0,0,0,0|0,0,0]=0 36 B27R4.266271800 [C@@H]1(C[C@@H]2CC[N@]1C[C@@H]2CC)[C@@H](O)c3ccnc4ccc(OC)cc34 Amb17937551 [0,0,0,0,0,0|0,0,2]=2 37 B27R4.266271800 [C@H]1(C[C@@H]2CC[N@]1C[C@@H]2CC)[C@H](O)c3ccnc4ccc(OC)cc34 Amb17937552 [0,0,0,0,0,0|0,0,2]=2 38 B26R4.570433571 C=CC1CN2CCC1CC2[C@@H](O)c3cc[n]c4ccc(O)cc43 Amb24309650 [1,0,0,0,0,0|0,0,0]=1 39 B26R4.570433571 C=C[C@@H]1CN2CCC1CC2C(O)c3cc[n]c4ccc(O)cc43 Amb19131678 [1,0,0,0,0,0|0,0,0]=1 40 B26R4.570433571 C=C[C@@H]1CN2CCC1C[C@@H]2[C@@H](O)c3cc[n]c4ccc(O)cc43 Amb19131679 [1,0,0,0,0,0|0,0,0]=1 41 B26R4.570433571 C=C[C@@H]1C[N@]2CC[C@@H]1C[C@@H]2[C@@H](O)c3cc[n]c4ccc(O)cc43 Amb22748519 [1,0,0,0,0,0|0,0,0]=1 42 B26R4.570433571 C=C[C@@H]1C[N@]2CC[C@@H]1C[C@H]2[C@H](O)c3cc[n]c4ccc(O)cc43 Amb22747971 [1,0,0,0,0,0|0,0,0]=1 43 B26R4.570433571 CCC1CN2CCC1CC2[C@@H](O)c3cc[n]c4ccc(O)cc34 Amb22747975 [1,0,0,0,0,0|0,0,2]=3 44 B26R4.570433571 CC[C@@H]1C[N@@]2CC[C@@H]1C[C@H]2[C@H](O)c3cc[n]c4ccc(O)cc34 Amb22748486 [1,0,0,0,0,0|0,0,2]=3 45 B26R4.570433571 C\C=C\1/CN2CC[C@@H]1CC2[C@@H](O)c3cc[n]c4ccc(O)cc34 Amb24309682 [1,0,0,0,0,0|0,0,2]=3 46 B28R4.382897365 COC(C1CC2CCN1CC2C=C)c3cc[n]c4ccc(cc43)OC Amb19854161 [0,1,0,0,0,0|0,0,0]=1 47 B28R4.382919735 C=CC1(O)CN2CCC1C[C@H]2[C@@H](c3ccnc4c3cc(OC)cc4)O Amb17615822 [0,1,0,0,0,0|0,0,0]=1 48 B28R4.382919735 COc1cc2c(cc[n]c2cc1)[C@@H](O)[C@@H]3CC4CCN3C[C@@]4(O)C=C Amb19132714 [0,1,0,0,0,0|0,0,0]=1 49 B28R4.667339046 CC[C@@H]1C[N@]2CC[C@@H]1C[C@@H]2[C@@H](O)c3cc[n]c4ccc(cc43)OCC Amb22800527 [0,1,0,0,0,0|0,0,2]=3 50 B28R4.801414067 C=C[C@H]1CN2CCC1C[C@H]2[C@@H](c3cc[n+](c4c3cc(OC)cc4)[O-])O Amb17619755 [0,1,0,0,0,0|0,0,1]=2 51 B28R4.801414067 COc1ccc2c(c1)c(cc[n+]2[O-])[C@@H](O)[C@@H]3CC4CCN3C[C@H]4C=C Amb19133763 [0,1,0,0,0,0|0,0,1]=2 52 B28R4.1375094996 C=C[C@H]1C[N+]2([O-])CCC1C[C@H]2[C@@H](c3ccnc4c3cc(OC)cc4)O Amb17619757 [0,1,0,0,0,0|0,0,1]=2 53 B28R4.1375094996 COc1ccc2[n]ccc(C(O)C3CC4CC[N+]3(N)CC4C=C)c2c1 Amb22487158 [0,1,0,0,0,0|0,0,1]=2 54 B28R4.1375094996 COc1ccc2[n]ccc([C@@H](O)[C@@H]3CC4CC[N+]3([O-])C[C@H]4C=C)c2c1 Amb19133765 [0,1,0,0,0,0|0,0,1]=2 55 B26R3.10753880 COc1cc2c(cc[n]c2cc1)C(=O)CCC3CCNCC3C=C Amb22732980 [0,0,1,0,0,0|0,0,2]=3 56 B25R4.75804939 C=CC1CN2CCC1CC2C(O)c3cc[n]c4ccccc43 Amb22730780 [2,0,0,0,0,0|0,0,0]=2 57 B25R4.75804939 C=CC1CN2CCC1CC2C(O)c3cc[n]c4ccccc43 Amb22732399 [2,0,0,0,0,0|0,0,0]=2 58 B25R4.75804939 C=CC1CN2CCC1CC2[C@H](O)c3cc[n]c4ccccc34 Amb22406062 [2,0,0,0,0,0|0,0,0]=2 59 B25R4.75804939 C=C[C@@H]1CN2CCC1C[C@@H]2[C@@H](O)c3cc[n]c4ccccc43 Amb19131279 [2,0,0,0,0,0|0,0,0]=2 60 B25R4.75804939 C=C[C@@H]1CN2CCC1C[C@@H]2[C@@H](O)c3cc[n]c4ccccc43 Amb22800914 [2,0,0,0,0,0|0,0,0]=2 61 B25R4.75804939 C=C[C@@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](O)c3cc[n]c4ccccc43 Amb22432201 [2,0,0,0,0,0|0,0,0]=2 62 B25R4.75804939 C=C[C@@H]1CN2CC[C@@H]1C[C@H]2[C@H](c3ccnc4c3cccc4)O Amb10069422 [2,0,0,0,0,0|0,0,0]=2 63 B25R4.75804939 C=C[C@@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c3cc[n]c4ccccc43 Amb22348464 [2,0,0,0,0,0|0,0,0]=2 64 B25R4.75804939 C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c3cc[n]c4ccccc43 Amb22336687 [2,0,0,0,0,0|0,0,0]=2 65 B25R4.75804939 C=C[C@@H]1C[N@]2CC[C@@H]1C[C@@H]2[C@@H](O)c3cc[n]c4ccccc43 Amb22800913 [2,0,0,0,0,0|0,0,0]=2 66 B25R4.75804939 C=C[C@@H]1C[N@]2CC[C@@H]1C[C@H]2[C@H](O)c3cc[n]c4ccccc43 Amb18511514 [2,0,0,0,0,0|0,0,0]=2 67 B25R4.75804939 C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c3cc[n]c4ccccc43 Amb19944673 [2,0,0,0,0,0|0,0,0]=2 68 B25R4.75804939 C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c3cc[n]c4ccccc43 Amb20242462 [2,0,0,0,0,0|0,0,0]=2 69 B25R4.75804939 C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](c3ccnc4c3cccc4)O Amb10843586 [2,0,0,0,0,0|0,0,0]=2 70 B25R4.75804939 C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](c3ccnc4c3cccc4)O Amb10843583 [2,0,0,0,0,0|0,0,0]=2 71 B25R4.75804939 C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c3cc[n]c4ccccc43 Amb20242427 [2,0,0,0,0,0|0,0,0]=2 72 B25R4.75804939 CCC1CN2CCC1CC2[C@@H](O)c3cc[n]c4ccccc34 Amb24288717 [2,0,0,0,0,0|0,0,2]=4 73 B25R4.75804939 CC[C@@H]1CN2CC[C@@H]1C[C@H]2[C@H](O)c3cc[n]c4ccccc34 Amb22746072 [2,0,0,0,0,0|0,0,2]=4 74 B25R4.75804939 CC[C@H]1CN2CCC1C[C@@H]2[C@@H](O)c3cc[n]c4ccccc34 Amb22362967 [2,0,0,0,0,0|0,0,2]=4 75 B25R4.75804939 C\C=C\1/CN2CC[C@@H]1CC2[C@H](O)c3cc[n]c4ccccc34 Amb24309671 [2,0,0,0,0,0|0,0,2]=4 76 B29R4.7669075845 COc1cc2c(cc[n]c2cc1)[C@@H](OC=O)C3CC4CCN3CC4C=C Amb24309649 [0,2,0,0,0,0|0,0,0]=2 77 B29R4.2409727768 C=C[C@H]1C[N+]2([O-])CCC1C[C@H]2[C@@H](c3cc[n+](c4c3cc(OC)cc4)[O-])O Amb17619754 [0,2,0,0,0,0|0,0,2]=4 78 B27R4.264651958 COc1ccc2[n]cc(cc2c1)[C@@H](O)C3CC4CCN3CC4C=C Amb24310766 [0,0,0,0,1,1|0,0,0]=2