0 B17R2.5678 CC(C)c1ccccc1NCC2CCCN2 Amb17243442 [1,0,0,0,0,0|2,0,1]=4 1 B17R2.5678 CC(C)c1ccccc1OCC2=NCCN2 Amb8628553 [1,0,0,0,0,0|0,0,0]=1 2 B17R2.5678 CC(C)c1ccccc1OCC2OCCO2 Amb17245530 [1,0,0,0,0,0|2,0,1]=4 3 B17R2.5678 CC(C)c1ccccc1OC[C@@H]2CCCN2 Amb17051844 [1,0,0,0,0,0|1,0,1]=3 4 B19R2.45048 Cc1ccc(C(C)C)c(OCc2csc(N)n2)c1 Amb8830572 [0,1,0,0,0,0|2,0,1]=4 5 B19R2.45048 Cc1ccc(C(C)C)c(OCc2nnc(N)o2)c1 Amb18665932 [0,1,0,0,0,0|2,0,1]=4 6 B19R2.45048 Cc1ccc(C(C)C)c(OCc2nnc(N)s2)c1 Amb1397806 [0,1,0,0,0,0|2,0,1]=4 7 B19R2.45048 Cc1ccc(C(C)C)c(OCc2nnc(S)o2)c1 Amb9700800 [0,1,0,0,0,0|2,0,1]=4 8 B19R2.103463 Cc1ccc(C(C)(C)C)c(OC[C@@H]2CCCN2)c1 Amb17051871 [0,1,0,0,0,0|1,0,1]=3 9 B17R1.4132 Cc1ccc(C(C)C)c(OCCNCCO)c1 Amb17144722 [0,0,1,0,0,0|1,0,1]=3 10 B17R1.4839 CCOC(=O)COc1cc(C)ccc1C(C)C Amb6551132 [0,0,1,0,0,0|2,0,0]=3 11 B17R1.4839 Cc1ccc(C(C)C)c(OCC(=O)N=C=S)c1 Amb20410758 [0,0,1,0,0,0|2,0,1]=4 12 B16R1.241 CCNCCOc1cc(C)ccc1C(C)C Amb7798475 [1,0,1,0,0,0|0,0,1]=3 13 B16R1.3900 CC(C)c1ccccc1OCCNCCO Amb17143949 [1,0,1,0,0,0|1,0,1]=4 14 B16R1.3900 CCCNCCOc1ccccc1C(C)C Amb7798638 [1,0,1,0,0,0|1,0,1]=4 15 B16R1.1302 Cc1ccc(C(C)C)c(OCC(=O)NN)c1 Amb6337243 [1,0,1,0,0,0|2,0,0]=4 16 B16R2.1480 CCc1ccccc1OCC2=NCCN2 Amb17075364 [2,0,0,0,0,0|0,0,0]=2 17 B16R2.1480 CCc1ccccc1OC[C@@H]2CCCN2 Amb17051834 [2,0,0,0,0,0|1,0,1]=4 18 B16R2.1480 COc1ccccc1CCC2=NCCN2 Amb18567018 [2,0,0,0,0,0|2,0,0]=4 19 B16R2.1480 COc1ccccc1OCC2=NCCN2 Amb17075361 [2,0,0,0,0,0|1,0,0]=3 20 B16R2.12623 Cc1ccc(C)c(CSC2=NCCN2)c1 Amb28991122 [2,0,0,0,0,0|2,0,0]=4 21 B16R2.12623 Cc1ccc(C)c(CSC2=NCCN2)c1 Amb9175081 [2,0,0,0,0,0|2,0,0]=4 22 B16R2.12623 Cc1ccc(C)c(OCC2=NCCN2)c1 Amb17075376 [2,0,0,0,0,0|0,0,0]=2 23 B16R2.12623 Cc1ccc(C)c(OC[C@@H]2CCCN2)c1 Amb17051831 [2,0,0,0,0,0|1,0,1]=4 24 B16R2.12623 Cc1ccc(Cl)c(OCC2=NCCN2)c1 Amb17075403 [2,0,0,0,0,0|1,0,0]=3 25 B16R2.12623 Clc1ccc(Cl)c(OCC2=NCCN2)c1 Amb17075407 [2,0,0,0,0,0|2,0,0]=4 26 B16R2.12623 Nc1ccc(F)cc1OCC2=NCCN2 Amb32655208 [2,0,0,0,0,0|2,0,0]=4 27 B18R1.33486 CCC(C)NCCOc1cc(C)ccc1C(C)C Amb20204570 [0,1,1,0,0,0|1,0,1]=4 28 B18R1.6101 CCOC(=O)C(C)Oc1cc(C)ccc1C(C)C Amb1945937 [0,1,1,0,0,0|2,0,0]=4 29 B18R2.14566 CC(C)(C)c1ccccc1OCC2=NCCN2 Amb17075369 [1,1,0,0,0,0|0,0,0]=2 30 B18R2.14566 CC(C)(C)c1ccccc1OC[C@@H]2CCCN2 Amb17051857 [1,1,0,0,0,0|1,0,1]=4 31 B20R2.156304 Cc1ccc(C(C)(C)C)c(OCC2CCCNC2)c1 Amb17051904 [0,1,0,0,0,1|1,0,1]=4 32 B20R2.156304 Cc1ccc(C(C)(C)C)c(OCC2CNCCO2)c1 Amb5733332 [0,1,0,0,0,1|1,0,1]=4 33 B20R2.659731 Cc1ccc(C(C)C)c(OCc2nnc(S)n2C)c1 Amb9700774 [0,2,0,0,0,0|1,0,1]=4 34 B20R2.659731 Cc1ccc(C(C)C)c(OCc2nnc(S)n2N)c1 Amb2281506 [0,2,0,0,0,0|1,0,1]=4 35 B18R3.36582 c1ccc(C2CC2)c(OCC3=NCCN3)c1 Amb17577189 [1,0,0,1,0,0|0,0,0]=2 36 B16R2.498 CC(C)c1ccccc1CC2CCCN2 Amb33273986 [1,0,0,0,1,0|1,0,1]=4 37 B16R2.6384 CCc1ccc(N)cc1NC2=NCCN2 Amb32670324 [1,0,0,0,1,0|2,0,0]=4 38 B16R2.6384 COc1ccc(C)cc1CC2=NCCN2 Amb18567028 [1,0,0,0,1,0|1,0,0]=3 39 B16R2.6384 COc1ccc(Cl)cc1CC2=NCCN2 Amb18571162 [1,0,0,0,1,0|2,0,0]=4 40 B16R2.6384 COc1ccc(F)cc1CC2=NCCN2 Amb18568344 [1,0,0,0,1,0|2,0,0]=4 41 B16R2.12625 Cc1ccc(C(C)C)c(OCC2CO2)c1 Amb499406 [0,0,0,0,2,0|1,0,1]=4 42 B18R2.7138 CC(C)c1ccccc1OCC2CCCNC2 Amb6262206 [1,0,0,0,0,1|1,0,1]=4 43 B18R2.7138 CC(C)c1ccccc1OCC2CNCCO2 Amb5733305 [1,0,0,0,0,1|1,0,1]=4 44 B18R2.7138 CC(C)c1ccccc1OCC2COCCN2 Amb18575540 [1,0,0,0,0,1|1,0,1]=4 45 B18R2.7138 CC(C)c1ccccc1OCC2CSCCN2 Amb18073113 [1,0,0,0,0,1|1,0,1]=4 46 B18R2.9004 Cc1ccc(C(C)C)cc1OC[C@@H]2CCCN2 Amb17051859 [0,0,0,0,1,1|1,0,1]=4 47 B20R2.156502 Cc1ccc(C(C)C)c(OCCC2CCCCN2)c1 Amb21956975 [0,0,0,0,0,2|1,0,1]=4