0 B20R2.156213 CC(C)Oc1ccc(CC2=NN=C(O)NC2=O)cc1 Amb18277580 [0,0,0,0,0,0|3,0,1]=4 1 B20R2.156213 CC(C)Oc1ccc(CC2=NN=C(S)NC2=O)cc1 Amb18277564 [0,0,0,0,0,0|3,0,1]=4 2 B20R2.156213 CC(C)Oc1ccc(cc1)Nc2ccc(N)cc2N Amb19962435 [0,0,0,0,0,0|3,0,0]=3 3 B19R2.47078 CCOc1ccc(cc1)Cc2cnc(nc2N)O Amb17089790 [1,0,0,0,0,0|1,0,0]=2 4 B19R2.47078 CCOc1ccc(cc1)Nc2ccc(N)cc2N Amb19962372 [1,0,0,0,0,0|3,0,0]=4 5 B21R2.468194 CC(C)Oc1ccc(CC2=NN=C(NN)NC2=O)cc1 Amb18277600 [0,1,0,0,0,0|2,0,1]=4 6 B21R2.2250034 CCC(C)Oc1ccc(cc1)Nc2ccc(N)cc2N Amb19962460 [0,1,0,0,0,0|3,0,0]=4 7 B19R2.103323 Nc1[n]cc(Cc2ccc(cc2)[N+]([O-])=O)c(N)[n]1 Amb19928905 [0,0,0,0,1,0|3,0,0]=4 8 B19R2.103323 Nc1ncc(c(n1)N)Cc2ccc(cc2)C(C)C Amb17089717 [0,0,0,0,1,0|0,0,0]=1 9 B19R2.103323 Nc1ncc(c(n1)N)Cc2ccc(cc2)N(C)C Amb17089718 [0,0,0,0,1,0|1,0,0]=2 10 B19R2.103323 Oc1ncc(c(n1)N)Cc2ccc(cc2)C(C)C Amb17089786 [0,0,0,0,1,0|1,0,0]=2 11 B19R2.103323 Oc1ncc(c(n1)N)Cc2ccc(cc2)N(C)C Amb17089787 [0,0,0,0,1,0|2,0,0]=3 12 B19R2.103323 Sc1ncc(c(n1)N)Cc2ccc(cc2)C(C)C Amb17089750 [0,0,0,0,1,0|1,0,0]=2 13 B19R2.103323 Sc1ncc(c(n1)N)Cc2ccc(cc2)N(C)C Amb17089751 [0,0,0,0,1,0|2,0,0]=3 14 B21R2.226259 CC(C)COc1ccc(cc1)Nc2ccc(N)cc2N Amb19962428 [0,0,0,0,0,1|3,0,0]=4 15 B18R2.311 CC(Oc1ccc(cc1)Cc2ccccc2)C Amb10808609 [2,0,0,0,0,0|2,0,0]=4 16 B18R2.4260 CCc1ccc(cc1)Cc2cnc(nc2N)N Amb17089711 [2,0,0,0,0,0|0,0,0]=2 17 B18R2.4260 CCc1ccc(cc1)Cc2cnc(nc2N)O Amb17089779 [2,0,0,0,0,0|1,0,0]=3 18 B18R2.4260 CCc1ccc(cc1)Cc2cnc(nc2N)S Amb17089743 [2,0,0,0,0,0|1,0,0]=3 19 B18R2.4260 COc1ccc(CC2=CNC(=O)N=C2N)cc1 Amb21998235 [2,0,0,0,0,0|1,0,1]=4 20 B18R2.4260 COc1ccc(cc1)Cc2cnc(nc2N)S Amb17089746 [2,0,0,0,0,0|1,0,0]=3 21 B20R2.2219345 CC=1N=C(N)NC(=O)C1Cc2ccc(cc2)OCC Amb19998606 [1,1,0,0,0,0|1,0,1]=4 22 B20R2.2219345 CCOc1ccc(Cc2c(O)[n]c(C)[n]c2C)cc1 Amb23459473 [1,1,0,0,0,0|2,0,0]=4 23 B20R2.2219345 CCOc1ccc(cc1)Cc2c(C)nc(nc2O)N Amb1990915 [1,1,0,0,0,0|1,0,0]=3 24 B20R2.2219345 CCOc1ccc(cc1)Cc2c(C)nc(nc2O)S Amb1990917 [1,1,0,0,0,0|2,0,0]=4 25 B20R2.23188 CN(C)c1ccc(Cc2c(N)[n]c(N)[n]c2N)cc1 Amb24312169 [0,1,0,0,1,0|1,0,0]=3 26 B20R2.156211 Nc1ncc(c(n1)N)Cc2ccc(cc2)C(C)(C)C Amb17089722 [0,1,0,0,1,0|0,0,0]=2 27 B20R2.156211 Oc1ncc(c(n1)N)Cc2ccc(cc2)C(C)(C)C Amb17089792 [0,1,0,0,1,0|1,0,0]=3 28 B20R2.156211 Sc1ncc(c(n1)N)Cc2ccc(cc2)C(C)(C)C Amb17089755 [0,1,0,0,1,0|1,0,0]=3 29 B22R2.2693631 CC(COc1ccc(cc1)Cc2c(C)nc(nc2O)S)C Amb1990918 [0,1,0,0,0,1|2,0,0]=4 30 B22R2.18396 CSc1[n]c(O)c(Cc2ccc(cc2)OC(C)C)c(O)[n]1 Amb23458177 [0,2,0,0,0,0|2,0,0]=4 31 B20R3.303598 Oc1ncc(c(n1)N)Cc2ccc3c(c2)OCO3 Amb17089795 [1,0,0,1,0,0|2,0,0]=4 32 B20R3.303598 Sc1ncc(c(n1)N)Cc2ccc3c(c2)OCO3 Amb17089758 [1,0,0,1,0,0|2,0,0]=4 33 B18R2.4727 CC(C)Oc1ccc(cc1)-c2c[n]ccc2N Amb18571898 [1,0,0,0,1,0|1,0,0]=3 34 B18R2.4727 CC(Oc1ccc(cc1)c2cccnc2Cl)C Amb17259646 [1,0,0,0,1,0|2,0,0]=4 35 B18R2.6290 Nc1ccccc1Cc2ccc(cc2)C(C)C Amb17142110 [1,0,0,0,1,0|2,0,0]=4 36 B18R2.271 CC(C)Cc1ccc(cc1)-c2c[n]c(N)cc2 Amb23949417 [1,0,0,0,1,0|2,0,0]=4 37 B18R2.271 CC(Oc1ccc(cc1)c2ccc(cc2)N)C Amb17142310 [1,0,0,0,1,0|2,0,0]=4 38 B18R2.271 CC(Oc1ccc(cc1)c2ccc(nc2)Cl)C Amb17259645 [1,0,0,0,1,0|2,0,0]=4 39 B18R2.271 CC(Oc1ccc(cc1)c2ccc(nc2)N)C Amb17248217 [1,0,0,0,1,0|1,0,0]=3 40 B18R2.271 CC(Oc1ccc(cc1)c2ccc(nn2)N)C Amb17516610 [1,0,0,0,1,0|2,0,0]=4 41 B18R2.271 CC(Oc1ccc(cc1)c2cnc(nc2)N)C Amb11064314 [1,0,0,0,1,0|0,0,0]=2 42 B18R2.9194 Nc1ccc(cc1)Cc2ccc(cc2)C(C)C Amb17142105 [1,0,0,0,1,0|2,0,0]=4 43 B18R2.2436 CCOc1ccc(cc1)c2cnc(nc2N)O Amb17344762 [1,0,0,0,1,0|1,0,0]=3 44 B18R2.2436 CCOc1ccc(cc1)c2cnc(nc2N)S Amb1028356 [1,0,0,0,1,0|1,0,0]=3 45 B18R2.2436 Cc1[n]c(N)c(c[n]1)-c2ccc(cc2)OCC Amb18572082 [1,0,0,0,1,0|1,0,0]=3 46 B18R2.12339 CCOc1ccc(cc1)Cc2cnn(c2N)C Amb17090077 [1,0,0,0,1,0|2,0,0]=4 47 B18R2.3870 CC(C)Oc1ccc(cc1)-c2[n]c(N)[s]c2N Amb18106283 [0,0,0,0,2,0|1,0,0]=3 48 B18R2.3870 CC(C)Sc1ccc(cc1)-c2[n]c(N)[s]c2N Amb18231349 [0,0,0,0,2,0|1,1,0]=4 49 B18R2.3870 C[n]1[n]c(N)cc1-c2ccc(cc2)OC(C)C Amb18869156 [0,0,0,0,2,0|2,0,0]=4 50 B18R2.3870 Cc1[nH]c(N)[n]c1-c2ccc(cc2)OC(C)C Amb18869157 [0,0,0,0,2,0|1,0,1]=4 51 B18R2.3870 Cc1[s]c(N)cc1-c2ccc(cc2)OC(C)C Amb18711080 [0,0,0,0,2,0|2,0,0]=4 52 B18R2.4057 Cc1[n]c(N)c(c[n]1)-c2ccc(cc2)C(C)C Amb18571626 [0,0,0,0,2,0|1,0,0]=3 53 B18R2.4057 Oc1ncc(c(n1)N)c2ccc(cc2)C(C)C Amb17344331 [0,0,0,0,2,0|1,0,0]=3 54 B18R2.31532 Cc1[n][nH]c(c1N)-c2ccc(cc2)OC(C)C Amb18869155 [0,0,0,0,2,0|2,0,0]=4 55 B18R2.31532 Cc1[n]oc(c1N)-c2ccc(cc2)OC(C)C Amb18869463 [0,0,0,0,2,0|2,0,0]=4 56 B18R2.132494 CC(c1ccc(cc1)Cc2cnn(c2N)C)C Amb17090073 [0,0,0,0,2,0|2,0,0]=4 57 B20R2.15796 CC(COc1ccc(cc1)Nc2ccc(nc2)N)C Amb17041229 [1,0,0,0,0,1|2,0,0]=4