0 B18R2.33595 C[n]1[n]ccc1CNCc2cc(Br)c(F)cc2 Amb23916117 [0,0,0,0,0,0|2,0,0]=2 1 B18R2.33595 C[n]1[n]ccc1CNCc2cc(Br)c(O)cc2 Amb23916115 [0,0,0,0,0,0|2,0,0]=2 2 B18R2.33595 C[n]1[n]ccc1CNCc2cc(O)c(O)cc2 Amb23916119 [0,0,0,0,0,0|2,0,0]=2 3 B18R2.33595 Cc1cc(OCCn2ccnc2C)ccc1C Amb17249122 [0,0,0,0,0,0|4,0,0]=4 4 B18R2.33595 Cc1ccc(CNCc2c[nH][n]c2C)cc1Cl Amb24187739 [0,0,0,0,0,0|3,0,0]=3 5 B18R2.33595 Cc1ccc(CNCc2c[nH][n]c2C)cc1F Amb23923656 [0,0,0,0,0,0|3,0,0]=3 6 B17R2.339 Cc1cc(CCCc2[nH][n][n][n]2)ccc1C Amb18067201 [1,0,0,0,0,0|3,0,0]=4 7 B17R2.339 Cc1cc(CNCc2cc[nH][n]2)ccc1C Amb18306184 [1,0,0,0,0,0|0,0,2]=3 8 B17R2.339 Cc1cc(CNCc2cc[nH][n]2)ccc1F Amb18308874 [1,0,0,0,0,0|1,0,2]=4 9 B17R2.339 Cc1ccc(CNCc2cc[nH][n]2)cc1Cl Amb24272137 [1,0,0,0,0,0|1,0,2]=4 10 B17R2.3278 Cc1[n][nH]cc1CNCc2ccc(O)cc2 Amb19007781 [1,0,0,0,0,0|3,0,0]=4 11 B17R2.3373 C[n]1[n]c[n]c1CSCc2cc(Cl)ccc2 Amb22108736 [1,0,0,0,0,0|3,0,0]=4 12 B17R2.3373 Cc1[n][nH]cc1CNCc2cccc(Cl)c2 Amb19033495 [1,0,0,0,0,0|3,0,0]=4 13 B17R2.3373 Cc1cc(CNCc2ccc[n]2C)ccc1 Amb19003042 [1,0,0,0,0,0|1,0,0]=2 14 B19R2.19029 Cc1[n][nH]cc1CNCc2ccc(OC)c(O)c2 Amb23916154 [0,1,0,0,0,0|3,0,0]=4 15 B19R2.51704 CC(NCc1ccc[n]1C)c2ccc(Cl)c(Cl)c2 Amb24113752 [0,1,0,0,0,0|3,0,0]=4 16 B19R2.51704 CN1C=CC(=CC1=O)C(=O)NCc2cc[n][n]2C Amb23915226 [0,1,0,0,0,0|2,0,1]=4 17 B19R2.60843 Cc1ccc(CNC(=O)c2ccc[n]2C)cc1F Amb21405281 [0,1,0,0,0,0|2,0,1]=4 18 B19R2.576665 C[n]1[n]ccc1CNCc2cc(Br)c(O)c(Br)c2 Amb23916113 [0,1,0,0,0,0|2,0,0]=3 19 B19R2.576665 C[n]1[n]ccc1CNCc2cc(C)c(O)c(C)c2 Amb23916118 [0,1,0,0,0,0|1,0,0]=2 20 B19R2.584345 Cc1cc(CNCc2[n]cc[n]2C)c(C)cc1C Amb23964446 [0,1,0,0,0,0|2,0,0]=3 21 B17R2.23923 Cc1cc(NCc2[n]c[n][n]2C)[n]cc1Br Amb23768588 [0,0,0,0,1,0|3,0,0]=4 22 B17R2.23923 Cc1ccc(CCc2[n]cc[n]2C)cc1N Amb18225465 [0,0,0,0,1,0|3,0,0]=4 23 B19R2.50071 Cc1cc(CNCc2[n]cccc2C)ccc1C Amb25412463 [0,0,0,0,0,1|2,0,0]=3 24 B19R2.50071 Cc1cc(CNCc2[n]cccc2C)ccc1F Amb25412383 [0,0,0,0,0,1|3,0,0]=4 25 B19R2.50071 Cc1ccccc1CNCc2cc(F)c(C)cc2 Amb24798975 [0,0,0,0,0,1|3,0,0]=4 26 B19R2.101617 Cc1cc(CNCc2cc(F)c(C)cc2)ccc1 Amb24798965 [0,0,0,0,0,1|3,0,0]=4 27 B19R2.101617 Cc1cc(CNCc2cc[n]c(C)[n]2)ccc1F Amb23945150 [0,0,0,0,0,1|2,0,0]=3 28 B16R2.135 Cc1ccc(CNCc2[nH]cc[n]2)cc1 Amb19018329 [2,0,0,0,0,0|2,0,0]=4 29 B16R2.135 Cc1ccc(cc1)CNCc2ccc[nH]2 Amb2327713 [2,0,0,0,0,0|1,0,0]=3 30 B16R2.135 Cc1ccc(cc1)CNCc2cccs2 Amb2330609 [2,0,0,0,0,0|2,0,0]=4 31 B16R2.255 Cc1cccc(c1)CNCc2cccs2 Amb15736442 [2,0,0,0,0,0|2,0,0]=4 32 B16R2.3250 C[n]1[n][n]cc1CNCc2ccccc2 Amb24346240 [2,0,0,0,0,0|1,0,0]=3 33 B16R2.3250 C[n]1cc[n]c1CNCc2ccccc2 Amb21959920 [2,0,0,0,0,0|2,0,0]=4 34 B16R2.3250 Cc1nc[nH]c1CNCc2ccccc2 Amb10126656 [2,0,0,0,0,0|2,0,0]=4 35 B16R2.3250 Cc1ncsc1CNCc2ccccc2 Amb10607352 [2,0,0,0,0,0|2,0,0]=4 36 B16R2.3250 Cc1ncsc1CNCc2ccccc2 Amb13948966 [2,0,0,0,0,0|2,0,0]=4 37 B16R2.3250 Cc1occc1CNCc2ccccc2 Amb19007302 [2,0,0,0,0,0|2,0,0]=4 38 B16R2.3250 Cn1cccc1CNCc2ccncc2 Amb1076144 [2,0,0,0,0,0|2,0,0]=4 39 B16R2.3250 Cn1cccc1CNCc2ccncc2 Amb11038345 [2,0,0,0,0,0|2,0,0]=4 40 B18R2.2690 Cc1ccc(CNCc2ccc[s]2)cc1OC Amb24787555 [1,1,0,0,0,0|2,0,0]=4 41 B18R2.2690 Cc1ccc(CNCc2ccco2)cc1OC Amb24787561 [1,1,0,0,0,0|2,0,0]=4 42 B18R2.9106 Cc1cc(ccc1C)C(C)NCc2[nH][n][n][n]2 Amb23940277 [1,1,0,0,0,0|2,0,0]=4 43 B18R2.18851 Cc1cc(CNCc2[nH][n][n][n]2)ccc1OC Amb23940297 [1,1,0,0,0,0|2,0,0]=4 44 B18R2.29456 Cc1cc(CNCc2cc(C)[n]o2)ccc1C Amb23940586 [1,1,0,0,0,0|1,0,0]=3 45 B18R2.29456 Cc1cc(CNCc2ccc(C)[s]2)ccc1C Amb23917534 [1,1,0,0,0,0|2,0,0]=4 46 B18R2.29456 Cc1cc(CNCc2ccc(C)c(C)c2)no1 Amb17925571 [1,1,0,0,0,0|1,0,1]=4 47 B18R2.29456 Nc1n[nH]c(c1)CCOc2ccc(c(c2)C)C Amb17249616 [1,1,0,0,0,0|2,0,0]=4 48 B18R2.66728 Cc1cc(CNCc2c[s]cc2)c(C)cc1C Amb25404945 [1,1,0,0,0,0|2,0,0]=4 49 B18R2.91 Cc1[n][nH]cc1CNCc2ccc(CC)cc2 Amb24788032 [1,1,0,0,0,0|2,0,0]=4 50 B18R2.91 Cc1[n][nH]cc1CNCc2ccc(cc2)SC Amb24788027 [1,1,0,0,0,0|2,0,0]=4 51 B18R2.470 Cc1ccc(CNCc2[n]cc[n]2CC)cc1 Amb19648918 [1,1,0,0,0,0|2,0,0]=4 52 B18R2.9044 CC(NCc1c[nH][n]c1C)c2ccc(C)cc2 Amb24787186 [1,1,0,0,0,0|2,0,0]=4 53 B18R2.9044 C[n]1cccc1CNC(C)c2ccc(Cl)cc2 Amb24113749 [1,1,0,0,0,0|2,0,0]=4 54 B18R2.9044 C[n]1cccc1CNC(C)c2ccc(F)cc2 Amb24113534 [1,1,0,0,0,0|2,0,0]=4 55 B18R2.9044 Cc1ccc(cc1)C(C)NCc2c[n]c[n]2C Amb24791344 [1,1,0,0,0,0|2,0,0]=4 56 B18R2.9119 O=C(c1ccnn1C)NCc2ccc(cc2)F Amb2085159 [1,1,0,0,0,0|1,0,1]=4 57 B18R2.66872 Cc1cc(C)c(CNCc2cc[n][n]2C)cc1 Amb23916112 [1,1,0,0,0,0|0,0,0]=2 58 B18R2.66872 Cc1cc(C)ccc1CNCc2c[nH][n]c2C Amb23916153 [1,1,0,0,0,0|2,0,0]=4 59 B18R2.66872 Cc1cc(Cl)ccc1CNCc2cc[n][n]2C Amb24187702 [1,1,0,0,0,0|1,0,0]=3 60 B18R2.94350 Cc1ccc(CNCc2c([O-])o[n][n+]2C)cc1 Amb19649954 [1,1,0,0,0,0|1,0,1]=4 61 B18R2.2969 COc1cc(CNCc2c[n]c[n]2C)ccc1 Amb24791343 [1,1,0,0,0,0|2,0,0]=4 62 B18R2.2969 COc1cc(CNCc2ccc[n]2C)cc[n]1 Amb25404011 [1,1,0,0,0,0|2,0,0]=4 63 B18R2.3937 Cc1cccc(CNCc2[n]cc[n]2C)c1C Amb23964489 [1,1,0,0,0,0|2,0,0]=4 64 B18R2.3937 Cc1cccc(CNCc2cc[n][n]2C)c1C Amb23916114 [1,1,0,0,0,0|0,0,0]=2 65 B18R2.31197 Cc1cc(CNCc2[n]cc(Cl)[n]2C)ccc1 Amb23920412 [1,1,0,0,0,0|2,0,0]=4 66 B18R2.65645 C[n]1cccc1CNC(C)c2cccc(Br)c2 Amb19351633 [1,1,0,0,0,0|2,0,0]=4 67 B18R2.65645 C[n]1cccc1CNC(C)c2cccc(Cl)c2 Amb24113573 [1,1,0,0,0,0|2,0,0]=4 68 B18R2.65645 C[n]1cccc1CNC(C)c2cccc(F)c2 Amb24113533 [1,1,0,0,0,0|2,0,0]=4 69 B18R2.65712 Cc1cccc(CNC(=O)c2ccc[n]2C)c1 Amb21807313 [1,1,0,0,0,0|1,0,1]=4 70 B18R2.65712 Clc1cccc(c1)CNC(=O)c2ccnn2C Amb2084960 [1,1,0,0,0,0|1,0,1]=4 71 B18R2.67039 Cc1cc(CNCc2[n]cc[n]2C)c(C)cc1 Amb23964492 [1,1,0,0,0,0|2,0,0]=4 72 B18R2.67039 Cc1cc(CNCc2cc[n][n]2C)c(C)cc1 Amb23916111 [1,1,0,0,0,0|0,0,0]=2 73 B18R2.2323241 Cc1ccc(n1C)CNCc2ccc(n2C)C Amb10610174 [0,1,0,0,1,0|2,0,0]=4 74 B18R2.13532 Cc1cc(ccc1OC)NCc2[n]cc[n]2C Amb23931845 [0,1,0,0,1,0|2,0,0]=4 75 B18R2.15252 CCc1cc(ccc1F)NCc2[n]c[n][n]2C Amb24277464 [0,1,0,0,1,0|2,0,0]=4 76 B18R2.15252 C[n]1[n]ccc1CNc2cc(C#N)c(F)cc2 Amb23947016 [0,1,0,0,1,0|1,0,1]=4 77 B18R2.60986 C[n]1[n]ccc1CNc2cc(F)c(I)cc2N Amb24017462 [0,1,0,0,1,0|2,0,0]=4 78 B18R2.92829 Cc1cc(ccc1Cl)OCc2cc(N)[n][n]2C Amb24270355 [0,1,0,0,1,0|2,0,0]=4 79 B18R2.92829 Cc1ccc(CCc2[n]c(C)[n][n]2C)cc1N Amb18868813 [0,1,0,0,1,0|2,0,0]=4 80 B18R2.106088 CC[n]1[n]ccc1CNc2cc(F)c(Cl)cc2 Amb24187606 [0,1,0,0,1,0|2,0,0]=4 81 B20R2.42316 Cc1cc(CNCc2ccc[n]c2OC)ccc1C Amb25417887 [0,1,0,0,0,1|1,0,0]=3 82 B20R2.2894001 Cc1ccc[n]c1CNCc2cc(C)c(C)cc2C Amb24812301 [0,1,0,0,0,1|2,0,0]=4 83 B20R2.93684 O=C(Nc1ccc(c(c1)C)C)NCc2cccn2C Amb16485128 [0,1,0,0,0,1|1,0,1]=4 84 B20R2.153385 Cc1nccc(n1)CNC(=O)c2ccc(c(c2)C)C Amb11461178 [0,1,0,0,0,1|1,0,1]=4 85 B20R2.303028 COc1cc(CNCc2cc(C)c(C)cc2)ccc1 Amb25418028 [0,1,0,0,0,1|2,0,0]=4 86 B20R2.303028 Cc1ccc(CNCc2cc[n]c(c2)OC)cc1F Amb24812984 [0,1,0,0,0,1|2,0,0]=4 87 B20R2.26122 COc1ccc(CNCc2c[n]c[n]2C)cc1OC Amb25420990 [0,2,0,0,0,0|2,0,0]=4 88 B20R2.26122 COc1ccc(CNCc2ccc[n]2C)cc1OC Amb24113608 [0,2,0,0,0,0|1,0,0]=3 89 B20R2.5059529 COc1ccc(CNCc2c(C)[n]oc2C)cc1C Amb25422246 [0,2,0,0,0,0|2,0,0]=4 90 B20R2.2310670 COc1cc(CNCc2c(C)[n][nH]c2C)ccc1C Amb19351014 [0,2,0,0,0,0|2,0,0]=4 91 B20R2.93630 CC(NC(C)c1cc(C)c(C)cc1)c2[n][n][n][n]2C Amb24226666 [0,2,0,0,0,0|2,0,0]=4 92 B16R2.1063 Cc1cc(ccc1C)NCc2ccc[s]2 Amb22546440 [1,0,0,0,1,0|2,0,0]=4 93 B16R2.1063 Cc1cc(ccc1C)NCc2ccco2 Amb22551466 [1,0,0,0,1,0|2,0,0]=4 94 B16R2.1063 Cc1ccc(CCc2[nH][n]c[n]2)cc1N Amb18864660 [1,0,0,0,1,0|2,0,0]=4 95 B16R2.1067 C[n]1[n]ccc1CNc2ccc(Br)c[n]2 Amb23627839 [1,0,0,0,1,0|2,0,0]=4 96 B16R2.1067 C[n]1[n]ccc1CNc2ccc(Cl)c[n]2 Amb25760441 [1,0,0,0,1,0|2,0,0]=4 97 B16R2.1067 C[n]1[n]ccc1COc2ccc(N)cc2 Amb20619638 [1,0,0,0,1,0|2,0,0]=4 98 B16R2.1067 Cc1c[n]c(CNc2[n]c[n][n]2C)cc1 Amb24186860 [1,0,0,0,1,0|2,0,0]=4 99 B16R2.1067 Cc1c[n]c(NCc2cc[n][n]2C)[n]c1 Amb23627800 [1,0,0,0,1,0|2,0,0]=4 100 B16R2.2850 Cc1ccc(CNCc2ccc[n]2C)[s]1 Amb24772523 [1,0,0,0,1,0|2,0,0]=4 101 B16R2.2910 C[n]1[n]ccc1CNc2c[n]cc(Br)c2 Amb24714083 [1,0,0,0,1,0|2,0,0]=4 102 B16R2.2910 C[n]1[n]ccc1CNc2cccc(Cl)[n]2 Amb25731288 [1,0,0,0,1,0|2,0,0]=4 103 B16R2.2910 C[n]1[n]ccc1CNc2cccc(F)[n]2 Amb23627808 [1,0,0,0,1,0|2,0,0]=4 104 B16R2.2910 Cc1cc(NCc2cc[n][n]2C)[n]c[n]1 Amb23627817 [1,0,0,0,1,0|2,0,0]=4 105 B16R2.2910 Cc1cc(cc[n]1)NCc2cc[n][n]2C Amb23845830 [1,0,0,0,1,0|1,0,0]=3 106 B16R2.2910 Cc1cc[n]c(NCc2cc[n][n]2C)[n]1 Amb23627801 [1,0,0,0,1,0|2,0,0]=4 107 B16R2.2910 Cc1cccc(NCc2[n]c[n][n]2C)[n]1 Amb23851395 [1,0,0,0,1,0|2,0,0]=4 108 B16R2.2910 Cc1cccc(NCc2cc[n][n]2C)[n]1 Amb23627806 [1,0,0,0,1,0|1,0,0]=3 109 B18R2.9204 C[n]1[n]ccc1CNCCc2ccc(F)cc2 Amb22280392 [1,0,0,0,0,1|1,0,0]=3 110 B18R2.9204 Cc1ccc(CNCC[n]2cc[n]c2C)cc1 Amb23930597 [1,0,0,0,0,1|2,0,0]=4