0 B16R2.24 O=Cc1cccc(C2=CCCCC2)c1F Amb27844113 [0,0,0,0,0,0|3,0,1]=4 1 B16R2.24 O=Cc1cccc(C2=CCCOC2)c1F Amb33041353 [0,0,0,0,0,0|3,0,1]=4 2 B15R2.17 CCc1cccc(C2=CCCNC2)c1 Amb27778411 [1,0,0,0,0,0|2,0,1]=4 3 B15R2.17 COc1ccnc(C2=CCCCC2)c1 Amb33078224 [1,0,0,0,0,0|3,0,0]=4 4 B15R2.17 N#Cc1cccc(C2CCCNC2)c1 Amb27749134 [1,0,0,0,0,0|1,0,2]=4 5 B15R2.17 N#Cc1cccc(C2CNCCO2)c1 Amb28047644 [1,0,0,0,0,0|2,0,1]=4 6 B15R2.17 N#Cc1cccc(C2CNCCO2)c1 Amb28750759 [1,0,0,0,0,0|2,0,1]=4 7 B15R2.17 N#Cc1ccnc(C2CCCCN2)c1 Amb27876226 [1,0,0,0,0,0|2,0,1]=4 8 B15R2.17 N#Cc1ccnc(N2CCCCC2)c1 Amb2723979 [1,0,0,0,0,0|2,0,1]=4 9 B15R2.17 N#Cc1ccnc([C@@H]2CNCCO2)c1 Amb27407091 [1,0,0,0,0,0|1,0,1]=3 10 B15R2.17 NNc1ccnc(C2=CCCCC2)c1 Amb27827649 [1,0,0,0,0,0|2,0,1]=4 11 B15R2.32 Nc1cccc(C2=CCCCC2)c1F Amb29869707 [1,0,0,0,0,0|2,0,1]=4 12 B15R2.32 Nc1ccnc(C2=CCCCC2)c1N Amb33078247 [1,0,0,0,0,0|2,0,1]=4 13 B17R2.25 COc1cccc(C2=CCCN(C)C2)c1F Amb33078106 [0,1,0,0,0,0|3,0,0]=4 14 B15R2.19 Cc1c(C#N)cccc1[C@@H]2CCNC2 Amb28282579 [0,0,0,0,1,0|2,0,1]=4 15 B15R2.19 N#Cc1cccc(C2CCCN2)c1F Amb27794648 [0,0,0,0,1,0|1,0,2]=4 16 B15R2.19 N#Cc1cccc([C@@H]2CCCN2)c1F Amb27627306 [0,0,0,0,1,0|1,0,2]=4 17 B15R2.19 N#Cc1ccnc(N2CCCC2)c1Cl Amb27437272 [0,0,0,0,1,0|1,1,1]=4 18 B15R2.19 O=Cc1cccc(C2=CCCC2)c1F Amb27428332 [0,0,0,0,1,0|2,0,1]=4 19 B14R1.618 CCOC(=O)c1nccc(C#N)c1F Amb25970578 [1,0,1,0,0,0|2,0,0]=4 20 B14R1.16 C\C(=C\CCN)c1cccc(Br)c1F Amb28409978 [1,0,1,0,0,0|2,0,0]=4 21 B14R1.16 C\C(=C\CCN)c1cccc(F)c1F Amb28454420 [1,0,1,0,0,0|2,0,0]=4 22 B14R2.21 Oc1cccc(C2=CCCNC2)c1 Amb25793597 [2,0,0,0,0,0|2,0,0]=4 23 B14R2.24 Cc1cccnc1C2=CCCNC2 Amb28242996 [2,0,0,0,0,0|1,0,0]=3 24 B14R2.24 Clc1ccccc1C2=CCCNC2 Amb27233613 [2,0,0,0,0,0|1,1,0]=4 25 B14R2.24 Fc1ccccc1C2=CCCNC2 Amb27668554 [2,0,0,0,0,0|1,0,0]=3 26 B14R2.24 Fc1cccnc1C2CCCNC2 Amb27591652 [2,0,0,0,0,0|0,0,2]=4 27 B14R2.24 Fc1cccnc1C2CNCCO2 Amb33419509 [2,0,0,0,0,0|1,0,1]=4 28 B14R2.24 Nc1cccnc1C2=CCCCC2 Amb27618438 [2,0,0,0,0,0|2,0,0]=4 29 B14R2.24 Oc1ccccc1C2=CCCNC2 Amb35751240 [2,0,0,0,0,0|2,0,0]=4 30 B16R2.311 Nc1c(F)ccc(C2=CCCNC2)c1F Amb33100961 [1,1,0,0,0,0|1,0,1]=4 31 B16R2.2921 NC1C=C(c2cccc(Br)c2F)CNC1 Amb32989534 [1,1,0,0,0,0|2,0,0]=4 32 B16R2.2921 NC1C=C(c2cccc(F)c2F)CNC1 Amb32989546 [1,1,0,0,0,0|2,0,0]=4 33 B16R2.2921 OC1C=C(c2cccc(Br)c2F)CNC1 Amb32989320 [1,1,0,0,0,0|2,0,0]=4 34 B16R2.2921 OC1C=C(c2cccc(F)c2F)CNC1 Amb32989283 [1,1,0,0,0,0|2,0,0]=4 35 B14R2.10 N#Cc1cccc(C2=NCCN2)c1 Amb27415512 [1,0,0,0,1,0|2,0,0]=4 36 B14R2.10 N#Cc1ccnc(C2C=CCC2)c1 Amb28242906 [1,0,0,0,1,0|0,0,2]=4 37 B14R2.10 N#Cc1ccnc(C2CCCN2)c1 Amb28076916 [1,0,0,0,1,0|0,0,2]=4 38 B14R2.10 N#Cc1ccnc(C2CCNC2)c1 Amb27983505 [1,0,0,0,1,0|0,0,1]=3 39 B14R2.10 N#Cc1ccnc(N2CCCC2)c1 Amb524576 [1,0,0,0,1,0|1,0,1]=4 40 B14R2.10 N#Cc1ccnc(N2CCCN2)c1 Amb27653695 [1,0,0,0,1,0|1,0,1]=4 41 B14R2.10 N#Cc1ccnc([C@H]2CCCN2)c1 Amb28312867 [1,0,0,0,1,0|0,0,2]=4 42 B14R2.23 Fc1c(Br)ccnc1C2CCNC2 Amb24319069 [1,0,0,0,1,0|1,0,1]=4 43 B14R2.23 Fc1cccc(C2=CCNC2)c1F Amb27586983 [1,0,0,0,1,0|2,0,0]=4 44 B14R2.23 Nc1cccc(C2=CCCC2)c1F Amb29869693 [1,0,0,0,1,0|1,0,1]=4 45 B14R2.3266 N#Cc1ccnc(N2CCC2)c1Cl Amb27810466 [0,0,0,0,2,0|1,1,0]=4 46 B16R2.23 N#Cc1ccnc(NC2CCCNC2)c1 Amb22032924 [1,0,0,0,0,1|0,0,2]=4