0 B18R1.4935 CC(C)NCC(C)COc1ccccc1CC=C Amb23952246 [0,0,0,0,0,0|1,0,0]=1 1 B18R1.4935 CC(C)NCC(O)COc1ccccc1CC=C Amb22049840 [0,0,0,0,0,0|0,0,0]=0 2 B17R1.1421 CC(C)NCC(O)COc1ccccc1SC Amb22731002 [1,0,0,0,0,0|1,0,1]=3 3 B17R1.1421 CC(C)NC[C@@H](O)COc1ccccc1OC Amb22746427 [1,0,0,0,0,0|1,0,1]=3 4 B17R1.1421 CC(C)OCC(O)COc1ccccc1C#N Amb23978717 [1,0,0,0,0,0|2,0,1]=4 5 B17R1.1421 COc1ccccc1OCC(O)CNC(C)C Amb17760690 [1,0,0,0,0,0|1,0,1]=3 6 B19R1.10443 C=CCOc1ccccc1OCC(CNC(C)C)O Amb17619037 [0,1,0,0,0,0|0,0,0]=1 7 B19R1.10443 COCCc1ccccc1OCC(CNC(C)C)O Amb17617977 [0,1,0,0,0,0|0,0,2]=3 8 B19R2.120092 CC(CNC1CC1)COc2ccccc2CC=C Amb23952247 [0,0,0,1,0,0|1,0,0]=2 9 B19R2.1022145 CC(C)NCC(O)COc1cccc2C=CCc12 Amb22167592 [0,0,0,1,0,0|0,0,0]=1 10 B19R2.1022145 CC(C)NCC(O)COc1cccc2CCCc12 Amb24063880 [0,0,0,1,0,0|0,0,2]=3 11 B19R2.1022145 CC(C)NCC(O)COc1cccc2CCNc21 Amb24082157 [0,0,0,1,0,0|1,0,2]=4 12 B19R2.1022145 CC(C)NCC(O)COc1cccc2ccoc21 Amb24064467 [0,0,0,1,0,0|1,0,0]=2 13 B19R2.1022145 CC(C)NC[C@H](O)COc1cccc2[nH]ccc12 Amb22350168 [0,0,0,1,0,0|1,0,1]=3 14 B19R1.29756 CCOc1ccccc1OCC(CNCC(C)C)O Amb17165708 [0,0,0,0,0,1|1,0,2]=4 15 B16R1.400 Cc1[n]cccc1OCC(O)COC(C)C Amb24252018 [2,0,0,0,0,0|2,0,0]=4 16 B16R1.694 CNCC(COc1ccccc1CC=C)O Amb1058525 [2,0,0,0,0,0|0,0,0]=2 17 B18R1.14777 CC(C)(C)NCCCOc1ccccc1CC=C Amb23952253 [1,1,0,0,0,0|0,0,0]=2 18 B18R1.22020 C=CCc1cc(Cl)ccc1OCCCNC(C)C Amb1212753 [1,1,0,0,0,0|0,0,0]=2 19 B18R1.57272 C=CCc1cccc(c1OCCCCN(C)C)C Amb1242570 [1,1,0,0,0,0|2,0,0]=4 20 B18R1.5541 CC(C)OCC(O)COc1ccc(Br)cc1CO Amb23978735 [1,1,0,0,0,0|2,0,0]=4 21 B18R1.5541 CC(C)OCC(O)COc1ccc(Cl)cc1C=O Amb23978724 [1,1,0,0,0,0|2,0,0]=4 22 B18R1.5541 CC(C)OCC(O)COc1ccc(Cl)cc1CN Amb23978711 [1,1,0,0,0,0|2,0,0]=4 23 B18R1.5541 Cc1ccc(OCC(O)COC(C)C)c(CO)c1 Amb23978739 [1,1,0,0,0,0|2,0,0]=4 24 B18R1.5541 Cc1ccc(OCC(O)COC(C)C)c(c1)C=O Amb23978727 [1,1,0,0,0,0|2,0,0]=4 25 B18R1.7319 CC(CO)NCC(O)COc1ccccc1C#N Amb23920778 [1,1,0,0,0,0|1,0,1]=4 26 B18R1.7319 CCC(C)NCC(O)COc1ccccc1OC Amb17750327 [1,1,0,0,0,0|1,0,1]=4 27 B18R1.7319 CCC(NCC(COc1ccccc1OC)O)C Amb1487119 [1,1,0,0,0,0|1,0,1]=4 28 B18R1.38875 CC(C)(C)NCC(O)COc1ccccc1C#N Amb20670849 [1,1,0,0,0,0|1,0,1]=4 29 B18R1.38875 CC(C)(C)NCC(O)COc1ccccc1C#N Amb22167347 [1,1,0,0,0,0|1,0,1]=4 30 B18R1.38875 COc1ccccc1OCC(CNC(C)(C)C)O Amb1301749 [1,1,0,0,0,0|1,0,1]=4 31 B18R1.38875 COc1ccccc1OCC(O)CNC(C)(C)C Amb17760691 [1,1,0,0,0,0|1,0,1]=4 32 B18R1.39695 CC(C)OCC(O)COc1c(Br)cccc1C=O Amb23978726 [1,1,0,0,0,0|2,0,0]=4 33 B18R1.39695 CC(C)OCC(O)COc1c(CO)cccc1Br Amb23978738 [1,1,0,0,0,0|2,0,0]=4 34 B18R1.106042 CC(=O)c1ccccc1OCC(O)COC(C)C Amb23978719 [1,1,0,0,0,0|1,0,1]=4 35 B18R1.106042 CC(C)OCC(O)COc1ccccc1C(C)O Amb23978737 [1,1,0,0,0,0|1,0,1]=4 36 B18R1.2620 OCCNCC(COc1ccccc1CC=C)O Amb1972127 [1,1,0,0,0,0|0,0,0]=2 37 B18R1.23681 CC(CNC(C)(C)C)Oc1ccccc1CC=C Amb23951712 [0,1,0,0,1,0|1,0,0]=3 38 B20R1.63976 CCC(NCC(COc1ccccc1C(CC)C)O)C Amb1290706 [0,2,0,0,0,0|0,0,2]=4 39 B18R2.75808 C=CCc1ccccc1OCCCNC2CC2 Amb23952249 [1,0,0,1,0,0|0,0,0]=2 40 B18R2.14644 CC(NCC(c1ccc2c(c1)cccc2)O)C Amb10843149 [1,0,0,1,0,0|1,0,1]=4 41 B18R2.14644 CC(NCC(c1ccc2c(c1)cccc2)O)C Amb17619540 [1,0,0,1,0,0|1,0,1]=4 42 B18R2.2627 C=CCc1ccccc1OCC2CNCCC2 Amb21954825 [1,0,0,1,0,0|1,0,0]=3 43 B20R2.10963774 CC(C)NC[C@@H](O)COc1cccc2ccccc12 Amb23437866 [0,0,0,1,0,1|0,0,1]=3 44 B20R2.152960 Cc1cc2c(cccc2OCC(O)CNC(C)C)[nH]1 Amb22055675 [0,1,0,1,0,0|0,0,2]=4 45 B20R3.19885 O=C1COC(CN1)COc2cccc3C=CCc32 Amb22754898 [0,0,0,2,0,0|1,0,1]=4 46 B16R1.695 C=CCc1ccccc1OCCCN(C)C Amb1213569 [1,0,0,0,1,0|1,0,0]=3 47 B18R1.378 CC(C)NCCCCOc1ccccc1CC=C Amb23952242 [1,0,0,0,0,1|0,0,0]=2 48 B18R1.23137 CC(C)NCC(O)COc1cc(COC)ccc1 Amb23978315 [0,0,0,0,1,1|1,0,1]=4