0 B18R2.3368 N#Cc1c(Cl)[n][s]c1NCCC=2CCOCC2 Amb23763545 [0,0,0,0,0,0|1,0,3]=4 1 B18R2.3368 N#Cc1c(NCCc2ccccc2)snc1Cl Amb2445767 [0,0,0,0,0,0|0,0,0]=0 2 B18R2.3368 N#Cc1c(N\N=C\c2ccccc2)snc1Cl Amb1800057 [0,0,0,0,0,0|1,0,1]=2 3 B17R2.1085 N#Cc1ncoc1NCCc2ccccc2 Amb2495490 [1,0,0,0,0,0|2,1,0]=4 4 B19R2.28598 N#Cc1c(N\N=C\c2ccccc2)snc1OC Amb1052178 [0,1,0,0,0,0|2,0,1]=4 5 B19R2.28598 N#Cc1c(N\N=C\c2ccccc2)snc1SC Amb1022934 [0,1,0,0,0,0|2,0,1]=4 6 B19R2.35857 N#Cc1c(Cl)nsc1NCCc2ccc(cc2)Cl Amb10746247 [0,1,0,0,0,0|0,0,0]=1 7 B17R2.2929 COc1c(N)[n][s]c1NCc2ccccc2 Amb25678917 [0,0,0,0,1,0|3,0,0]=4 8 B17R2.2929 N#Cc1c(NCc2ccccc2)snc1Cl Amb11362930 [0,0,0,0,1,0|0,0,0]=1 9 B17R2.2929 Nc1[n][nH]c(NCc2ccccc2)c1C#N Amb24468211 [0,0,0,0,1,0|2,0,0]=3 10 B17R2.2929 Nc1[n][s]c(NCc2ccccc2)c1C#N Amb18660783 [0,0,0,0,1,0|1,0,0]=2 11 B17R2.15557 N#Cc1c(Cl)[n][s]c1NCC[n]2c[n]cc2 Amb23793156 [0,0,0,0,1,0|2,0,0]=3 12 B17R2.15557 N#Cc1c(Cl)[n][s]c1NCC[n]2cc[n][n]2 Amb23821657 [0,0,0,0,1,0|3,0,0]=4 13 B17R2.15557 N#Cc1c(Cl)[n][s]c1NCC[n]2ccc[n]2 Amb23633881 [0,0,0,0,1,0|2,0,0]=3 14 B17R2.15557 N#Cc1c(Cl)[n][s]c1NCC[n]2cccc2 Amb23797118 [0,0,0,0,1,0|1,0,0]=2 15 B19R2.2815 N#Cc1cc(Cl)ccc1NCCc2cccc[n]2 Amb23617748 [0,0,0,0,0,1|3,0,0]=4 16 B19R2.2815 N#Cc1cc(F)ccc1NCCc2ccccc2 Amb18577383 [0,0,0,0,0,1|2,1,0]=4 17 B19R2.2863 N#Cc1[n]c(ccc1Cl)NCCc2c[n]ccc2 Amb22135392 [0,0,0,0,0,1|3,0,0]=4 18 B19R2.2863 N#Cc1[n]c(ccc1Cl)NCCc2cccc[n]2 Amb23619222 [0,0,0,0,0,1|3,0,0]=4 19 B19R2.2863 N#Cc1cc(ccc1F)NCCc2ccccc2 Amb23946950 [0,0,0,0,0,1|2,1,0]=4 20 B19R2.3719 N#Cc1c(Cl)[n][s]c1NC\C=C\c2ccccc2 Amb23648983 [0,0,0,0,0,1|0,0,1]=2 21 B18R2.3229 N#Cc1c[n][nH]c1NC(=O)Cc2ccccc2 Amb22462592 [1,1,0,0,0,0|1,0,1]=4 22 B18R2.3366 CC(Nc1[s][n]c(Cl)c1C#N)c2cccc[n]2 Amb19331539 [0,1,0,0,1,0|1,0,0]=3 23 B18R2.3366 N#Cc1c(snc1Cl)NC(=O)c2ccccc2 Amb2445780 [0,1,0,0,1,0|0,0,1]=3 24 B18R2.3382 CN(Cc1ccccc1)c2[s][n]c(N)c2C#N Amb25025668 [0,1,0,0,1,0|1,0,0]=3 25 B18R2.3426 N#Cc1c(Cl)[n][s]c1NCc2ccc(Br)cc2 Amb23632329 [0,1,0,0,1,0|0,0,0]=2 26 B18R2.3437 Cc1c[n]ccc1CNc2[s][n]c(Cl)c2C#N Amb23866008 [0,1,0,0,1,0|1,0,0]=3 27 B18R2.3437 Cc1ccccc1CSc2[s][n]c(Cl)c2C#N Amb23792948 [0,1,0,0,1,0|1,0,0]=3 28 B18R2.23425 Nc1cc[n]c(CNc2[s][n]c(Cl)c2C#N)[n]1 Amb23798479 [0,1,0,0,1,0|2,0,0]=4 29 B18R2.24336 Cc1c[n][n](CCNc2[s][n]c(Cl)c2C#N)c1 Amb23634905 [0,1,0,0,1,0|2,0,0]=4 30 B18R2.24336 Cc1c[n]c(CCNc2[s][n]c(Cl)c2C#N)[s]1 Amb23683526 [0,1,0,0,1,0|2,0,0]=4 31 B18R2.24336 N#Cc1c(Cl)[n][s]c1NCCc2ccc(Br)o2 Amb23740116 [0,1,0,0,1,0|1,0,0]=3 32 B18R2.218644 CN(CCc1[n]cc[s]1)c2[s][n]c(Cl)c2C#N Amb23761250 [0,1,0,0,1,0|2,0,0]=4 33 B20R2.57092 N#Cc1c(NCCc2ccccc2)nnc(c1C)C Amb13996808 [0,1,0,0,0,1|2,0,0]=4 34 B20R2.2978 N#Cc1[n]c(ccc1Cl)NCCc2ccc(Cl)cc2 Amb23619225 [0,1,0,0,0,1|2,0,0]=4 35 B20R2.2978 N#Cc1[n]c(ccc1Cl)NCCc2ccc(F)cc2 Amb23619236 [0,1,0,0,0,1|2,0,0]=4 36 B20R2.4004 CC(CNc1[s][n]c(Cl)c1C#N)Nc2ccccc2 Amb23797662 [0,1,0,0,0,1|0,0,0]=2 37 B20R2.4004 CC(CNc1[s][n]c(Cl)c1C#N)Oc2ccccc2 Amb23650161 [0,1,0,0,0,1|0,0,0]=2 38 B20R2.4004 CC(CNc1[s][n]c(Cl)c1C#N)Sc2ccccc2 Amb23685033 [0,1,0,0,0,1|0,0,0]=2 39 B20R2.4004 N#Cc1c(Cl)[n][s]c1NCC(=O)Nc2cccc[n]2 Amb23798616 [0,1,0,0,0,1|1,0,1]=4 40 B20R2.4004 N#Cc1c(Cl)[n][s]c1NCC(O)Cc2ccccc2 Amb23629231 [0,1,0,0,0,1|0,0,0]=2 41 B20R2.52514 N#Cc1c(NCCOc2ccc(cc2)Br)snc1Cl Amb11613152 [0,1,0,0,0,1|0,0,0]=2 42 B20R2.52518 N#Cc1c(Cl)[n][s]c1NCCCc2cccc(F)c2 Amb23638614 [0,1,0,0,0,1|0,0,0]=2 43 B20R2.52518 N#Cc1c(NCCOc2cccc(c2)Br)snc1Cl Amb11479790 [0,1,0,0,0,1|0,0,0]=2 44 B20R2.52496 N#Cc1c(NCC(c2ccc(cc2)F)O)snc1Cl Amb15754641 [0,2,0,0,0,0|0,0,0]=2 45 B20R2.52498 N#Cc1c(Cl)[n][s]c1NCC(O)c2ccccc2F Amb23704986 [0,2,0,0,0,0|0,0,0]=2 46 B20R2.52498 N#Cc1c(NCC(O)c2ccccc2Cl)[s][n]c1Cl Amb23668057 [0,2,0,0,0,0|0,0,0]=2 47 B20R2.52502 Cc1cc(ccc1)C(O)CNc2[s][n]c(Cl)c2C#N Amb23740814 [0,2,0,0,0,0|0,0,0]=2 48 B20R2.6108 CCc1ccc(CCNc2[s][n]c(Cl)c2C#N)cc1 Amb23661631 [0,2,0,0,0,0|0,0,0]=2 49 B20R2.6108 COc1ccc(cc1)CCNc2snc(c2C#N)Cl Amb2445768 [0,2,0,0,0,0|0,0,0]=2 50 B20R2.6108 N#Cc1c(Cl)[n][s]c1NCCc2ccc(CO)cc2 Amb23807018 [0,2,0,0,0,0|0,0,0]=2 51 B20R2.52327 N#Cc1c(Cl)[n][s]c1NCCc2ccc(O)c(O)c2 Amb23796897 [0,2,0,0,0,0|0,0,0]=2 52 B20R2.2510512 Cc1cc(CCNc2[s][n]c(Cl)c2C#N)cc(C)c1 Amb23669232 [0,2,0,0,0,0|0,0,0]=2 53 B20R3.4449 N#Cc1c(snc1Cl)NC2CC2c3ccccc3 Amb11555307 [0,0,0,1,0,1|0,0,0]=2 54 B20R3.4457 N#Cc1c(snc1Cl)NC2COc3c2cccc3 Amb15475032 [0,0,0,1,0,1|0,0,0]=2 55 B20R3.62837 CC1Cc2ccccc2N1c3[s][n]c(Cl)c3C#N Amb23794155 [0,1,0,1,0,0|0,0,0]=2 56 B20R3.53881 N#Cc1c([s][n]c1Cl)N2CCc3c2cccc3Cl Amb23797959 [0,1,0,1,0,0|0,0,0]=2 57 B16R1.3281 N#C\C(=C(/Cl)\O)\C(=O)NCc1ccccc1 Amb21234 [0,0,1,0,1,0|1,1,0]=4 58 B16R1.3281 NC(=O)\C(\C#N)=C(\S)/NCc1ccccc1 Amb25220529 [0,0,1,0,1,0|1,0,1]=4 59 B16R2.169 N#Cc1c[n]oc1NCc2ccccc2 Amb24633109 [1,0,0,0,1,0|0,1,0]=3 60 B16R2.169 N#Cc1cc[s]c1NCc2ccccc2 Amb25223906 [1,0,0,0,1,0|1,0,0]=3 61 B16R2.169 N#Cc1cn[nH]c1NCc2cccnc2 Amb1084715 [1,0,0,0,1,0|2,0,0]=4 62 B16R2.28 N#Cc1c(Cl)[n][s]c1Nc2ccccc2 Amb22453646 [0,0,0,0,2,0|0,0,0]=2 63 B16R2.28 N#Cc1c(Cl)[n][s]c1Oc2c[n]ccc2 Amb23794060 [0,0,0,0,2,0|2,0,0]=4 64 B16R2.28 N#Cc1c(snc1C)Nc2ccccc2 Amb1216864 [0,0,0,0,2,0|1,0,0]=3 65 B16R2.9512 N#Cc1c(Cl)[n][s]c1NCc2ccco2 Amb19333460 [0,0,0,0,2,0|1,0,0]=3 66 B16R2.9512 N#Cc1c(NCc2cscn2)snc1Cl Amb13559516 [0,0,0,0,2,0|2,0,0]=4 67 B18R2.1046 N#Cc1cc(Cl)ccc1NCc2ccccc2 Amb23617759 [0,0,0,0,1,1|2,0,0]=4 68 B20R2.2950 N#Cc1cc(Cl)ccc1NCCOc2ccccc2 Amb23617842 [0,0,0,0,0,2|2,0,0]=4 69 B20R2.2967 N#Cc1[n]c(ccc1Cl)NCCOc2ccccc2 Amb23619263 [0,0,0,0,0,2|2,0,0]=4 70 B20R2.3952 N#Cc1c(NCCCNc2ncccn2)snc1Cl Amb13558577 [0,0,0,0,0,2|2,0,0]=4