0 B20R3.5063761 ClC(=O)C1c2ccccc2CCc3ccccc13 Amb17894087 [0,0,0,0,0,0|2,0,2]=4 1 B20R3.5063761 FC(F)=C1c2ccccc2C=Cc3ccccc31 Amb22442170 [0,0,0,0,0,0|3,0,0]=3 2 B20R3.5063761 N=C(O)N1c2ccccc2C=Cc3ccccc13 Amb22167477 [0,0,0,0,0,0|0,0,2]=2 3 B20R3.5063761 NC(=O)C1c2ccccc2CCc3c1cccc3 Amb16207438 [0,0,0,0,0,0|1,0,2]=3 4 B20R3.5063761 [15NH2][13C](=O)N1c2ccccc2C=Cc3ccccc13 Amb22367327 [0,0,0,0,0,0|0,0,0]=0 5 B19R3.1757189 N#CC1c2ccccc2C=Cc3ccccc31 Amb22463181 [1,0,0,0,0,0|1,0,2]=4 6 B19R3.1757189 OCC1c2ccccc2C=Cc3c1cccc3 Amb10560559 [1,0,0,0,0,0|1,0,2]=4 7 B19R3.1757189 ON=C1c2ccccc2C=Cc3ccccc31 Amb22346151 [1,0,0,0,0,0|2,0,1]=4 8 B21R3.163516 Oc1ccc2c(c1)C=Cc3c(N2C(=O)N)cccc3 Amb17615195 [0,1,0,0,0,0|0,0,0]=1 9 B21R3.3846869 Oc1ccc2c(c1)N(C(=O)N)c3ccccc3C=C2 Amb17615196 [0,1,0,0,0,0|0,0,0]=1 10 B21R3.6855163 CC(=O)N1c2ccccc2C(=O)Cc3ccccc13 Amb22276999 [0,1,0,0,0,0|1,0,1]=3 11 B21R3.6855163 NC(=O)N1c2ccccc2C=C(Br)c3ccccc13 Amb24059380 [0,1,0,0,0,0|0,0,0]=1 12 B21R3.6855163 O[C@@H]1Cc2ccccc2N(c3c1cccc3)C(=O)N Amb17618081 [0,1,0,0,0,0|0,0,2]=3 13 B21R3.9509984 ClCC(=O)N1c2ccccc2C=Cc3c1cccc3 Amb1063464 [0,1,0,0,0,0|1,0,0]=2 14 B21R3.43501819 OC(=O)C1(O)c2ccccc2C=Cc3ccccc13 Amb22453101 [0,1,0,0,0,0|2,0,0]=3 15 B19R2.7167 Cc1ccccc1N(C(N)=N)c2ccccc2C Amb22167892 [0,0,1,0,0,0|1,0,2]=4 16 B19R2.7167 NC(=O)N(c1ccccc1Br)c2ccccc2Br Amb22490246 [0,0,1,0,0,0|2,0,0]=3 17 B19R2.13525 CC(=O)Nc1ccccc1/C=C\c2ccccc2 Amb17843029 [0,0,1,0,0,0|1,0,0]=2 18 B19R2.13525 CC(=O)Nc1ccccc1C#Cc2ccccc2 Amb17777296 [0,0,1,0,0,0|1,0,2]=4 19 B19R2.13525 CC(=O)Nc1ccccc1CCc2ccccc2 Amb17777268 [0,0,1,0,0,0|1,0,2]=4 20 B19R2.13525 CC(=O)Nc1ccccc1N=Nc2ccccc2 Amb17843054 [0,0,1,0,0,0|3,0,0]=4 21 B19R2.13525 CC(=O)Nc1ccccc1NNc2ccccc2 Amb17777436 [0,0,1,0,0,0|3,0,0]=4 22 B19R2.13525 CC(=O)Nc1ccccc1OCc2ccccc2 Amb1233367 [0,0,1,0,0,0|2,0,1]=4 23 B19R2.13525 CC(=O)Oc1ccccc1/C=C/c2ccccc2 Amb17871584 [0,0,1,0,0,0|2,0,0]=3 24 B19R2.13525 NC(=O)Nc1ccccc1OCc2ccccc2 Amb25060945 [0,0,1,0,0,0|1,0,1]=3 25 B19R2.13525 NC(=S)Nc1ccccc1OCc2ccccc2 Amb25823722 [0,0,1,0,0,0|1,1,1]=4 26 B19R2.13831 NC(=O)N(c1ccccc1C#N)c2ccccc2 Amb22489622 [0,0,1,0,0,0|1,0,1]=3 27 B21R4.443580 O=C1Cc2cccc3CCc4ccccc4N1c23 Amb22443166 [0,0,0,1,0,0|1,0,2]=4 28 B19R3.629728 CC(=O)N1c2ccccc2Nc3ccccc13 Amb17845257 [0,0,0,0,1,0|2,0,0]=3 29 B19R3.629728 C[C@@H](N)c1c2ccccc2cc3ccccc31 Amb22736723 [0,0,0,0,1,0|2,0,1]=4 30 B19R3.629728 C[C@H](N)c1c2ccccc2cc3ccccc31 Amb22736724 [0,0,0,0,1,0|2,0,1]=4 31 B19R3.629728 NC(=O)c1c2ccccc2cc3ccccc13 Amb17940386 [0,0,0,0,1,0|1,0,0]=2 32 B19R3.629728 NC(=S)c1c2ccccc2cc3ccccc31 Amb22048263 [0,0,0,0,1,0|1,1,0]=3 33 B19R3.629728 OC(=O)c1c2ccccc2cc3c1cccc3 Amb1232850 [0,0,0,0,1,0|2,0,0]=3 34 B19R3.629728 OC(=O)c1c2ccccc2nc3c1cccc3 Amb1775092 [0,0,0,0,1,0|3,0,0]=4 35 B19R3.629728 [O-][N+](=O)c1c2ccccc2cc3c1cccc3 Amb1791655 [0,0,0,0,1,0|3,0,0]=4 36 B21R3.7993561 CC(=O)CC1c2ccccc2C=Cc3c1cccc3 Amb10560551 [0,0,0,0,0,1|2,0,0]=3 37 B21R3.7993561 OC(=O)CC1c2ccccc2C=Cc3c1cccc3 Amb10560540 [0,0,0,0,0,1|2,0,0]=3 38 B18R2.5988 CC(=O)N(c1ccccc1O)c2ccccc2 Amb22750105 [1,0,1,0,0,0|2,0,0]=4 39 B18R2.5988 Cc1ccccc1N(c2ccccc2)C(=O)C Amb16206155 [1,0,1,0,0,0|1,0,1]=4 40 B18R2.2627 NCCc1ccccc1\C=C\c2ccccc2 Amb19602494 [1,0,1,0,0,0|1,0,1]=4 41 B18R2.2627 O=CNc1ccccc1OCc2ccccc2 Amb1633990 [1,0,1,0,0,0|1,0,1]=4 42 B18R3.59194 ClC1c2ccccc2C=Cc3ccccc31 Amb22263633 [2,0,0,0,0,0|2,0,0]=4 43 B18R3.59194 NC1c2ccccc2C=Cc3ccccc31 Amb22456890 [2,0,0,0,0,0|1,0,0]=3 44 B18R3.59194 O=C1c2ccccc2C=Cc3ccccc31 Amb19886545 [2,0,0,0,0,0|1,0,0]=3 45 B18R3.59194 O=c1c2ccccc2ccc3ccccc13 Amb17750070 [2,0,0,0,0,0|1,0,0]=3 46 B20R2.17795 CC(=O)Nc1ccccc1C(=O)Nc2ccccc2 Amb1351512 [0,1,1,0,0,0|2,0,0]=4 47 B20R2.17804 NC(=O)Cc1ccccc1NC(=O)c2ccccc2 Amb10721424 [0,1,1,0,0,0|2,0,0]=4 48 B20R2.331049 CNC(=O)Nc1ccccc1OCc2ccccc2 Amb25759862 [0,1,1,0,0,0|1,0,1]=4 49 B20R2.331049 NCC(=O)Nc1ccccc1\C=C\c2ccccc2 Amb19585670 [0,1,1,0,0,0|0,0,0]=2 50 B20R2.331049 NNC(=O)Nc1ccccc1OCc2ccccc2 Amb25186893 [0,1,1,0,0,0|1,0,1]=4 51 B20R3.178278 BrCC=C1c2ccccc2C=Cc3ccccc31 Amb22359219 [1,1,0,0,0,0|2,0,0]=4 52 B20R3.5858 Clc1ccc2c(c1)Sc3c(N2C(=O)C)cccc3 Amb10565057 [0,1,0,0,1,0|2,0,0]=4 53 B20R3.5877517 CNC(=O)C1c2ccccc2Oc3c1cccc3 Amb1778990 [0,1,0,0,1,0|2,0,0]=4 54 B20R3.5877517 CNC(=O)N1c2ccccc2Sc3ccccc13 Amb20226839 [0,1,0,0,1,0|1,0,0]=3 55 B20R3.5877517 COC(=O)c1c2ccccc2cc3c1cccc3 Amb10368767 [0,1,0,0,1,0|2,0,0]=4 56 B20R3.5877517 N#CC(=O)c1c2ccccc2cc3ccccc31 Amb22369393 [0,1,0,0,1,0|1,0,1]=4 57 B20R3.5877517 OCC(=O)N1c2ccccc2Sc3c1cccc3 Amb1111368 [0,1,0,0,1,0|2,0,0]=4 58 B22R3.17329053 CC(=O)N1c2ccccc2C=C(OC)c3ccccc13 Amb22277000 [0,2,0,0,0,0|1,0,0]=3 59 B22R3.17329053 COC1=Cc2ccccc2N(C(=O)Cl)c3ccccc13 Amb20171047 [0,2,0,0,0,0|1,0,0]=3 60 B22R3.17329053 COC1=Cc2ccccc2N(c3c1cccc3)C(=O)N Amb17616932 [0,2,0,0,0,0|0,0,0]=2 61 B22R3.49259128 BrC1C(=O)c2ccccc2N(c3c1cccc3)C(=O)N Amb17609999 [0,2,0,0,0,0|0,0,1]=3 62 B22R3.49259128 C1(=C([2H])c2ccccc2N(c3c1cccc3)C(=O)Cl)[2H] Amb17616051 [0,2,0,0,0,0|1,0,0]=3 63 B22R3.49259128 C1(=C([2H])c2ccccc2N(c3c1cccc3)C(=O)N)[2H] Amb17610477 [0,2,0,0,0,0|0,0,0]=2 64 B22R3.49259128 C1(=C([2H])c2ccccc2N(c3c1cccc3)C(=O)N)[2H] Amb17610478 [0,2,0,0,0,0|0,0,0]=2 65 B22R3.49259128 C1(=C([2H])c2ccccc2N(c3c1cccc3)[13C](=O)N)[2H] Amb17610476 [0,2,0,0,0,0|0,0,0]=2 66 B22R3.49259128 NC(=O)N1c2ccccc2C(=C(c3c1cccc3)O)O Amb17613037 [0,2,0,0,0,0|0,0,0]=2 67 B22R3.49259128 NC(=O)N1c2ccccc2C(=O)C(=O)c3ccccc13 Amb22055613 [0,2,0,0,0,0|0,0,0]=2 68 B22R3.49259128 OC1c2ccccc2N(c3c([C@@H]1O)cccc3)C(=O)N Amb17612934 [0,2,0,0,0,0|0,0,2]=4 69 B20R3.413 O=C1C=C(Nc2ccccc2)c3ccccc3N1 Amb18372633 [0,0,1,1,0,0|2,0,0]=4 70 B20R3.413 O=C1C=C(Oc2ccccc2)c3ccccc3N1 Amb22448042 [0,0,1,1,0,0|2,0,0]=4 71 B20R3.413 O=C1Nc2ccccc2C(Cc3ccccc3)=N1 Amb22752727 [0,0,1,1,0,0|0,0,2]=4 72 B20R3.12909 O=C1Nc2ccccc2N=C(C1)c3ccccc3 Amb1540183 [0,0,1,1,0,0|2,0,0]=4 73 B20R3.12909 O=C1Nc2ccccc2NC(=C1)c3ccccc3 Amb17839439 [0,0,1,1,0,0|2,0,0]=4 74 B20R3.15564 CC(=O)[n]1c([n]c2ccccc12)-c3ccccc3 Amb24105010 [0,0,1,1,0,0|2,0,0]=4 75 B20R3.323779 CC(=O)Nc1cc[n]c2c3ccccc3ccc12 Amb23518951 [0,0,1,1,0,0|2,0,0]=4 76 B20R3.12802 CC1=CC(=O)N(c2ccccc21)c3ccccc3 Amb22359525 [0,0,1,1,0,0|1,0,1]=4 77 B20R3.12802 O=C1C=C(Cl)c2ccccc2N1c3ccccc3 Amb19787010 [0,0,1,1,0,0|2,0,0]=4 78 B20R3.12802 O=C1C=C(S)c2ccccc2N1c3ccccc3 Amb20652901 [0,0,1,1,0,0|2,0,0]=4 79 B20R3.12802 O=C1CC(=O)c2c(N1c3ccccc3)cccc2 Amb1582040 [0,0,1,1,0,0|2,0,0]=4 80 B20R3.12802 O=C1NC(=O)c2c(C1c3ccccc3)cccc2 Amb2439805 [0,0,1,1,0,0|2,0,0]=4 81 B20R3.12802 O=C1NC(=O)c2ccccc2N1c3ccccc3 Amb19552187 [0,0,1,1,0,0|1,0,0]=3 82 B20R3.12802 O=C1OC(=O)c2ccccc2N1c3ccccc3 Amb22756002 [0,0,1,1,0,0|2,0,0]=4 83 B20R3.12802 OC1=CC(=O)N(c2ccccc21)c3ccccc3 Amb19513946 [0,0,1,1,0,0|2,0,0]=4 84 B20R3.45749 COc1ccccc1N2C(=O)Nc3ccccc23 Amb18538820 [0,0,1,1,0,0|1,0,1]=4 85 B22R4.14913001 NC(=O)N1c2ccccc2C3C(c4c1cccc4)O3 Amb17610479 [0,0,0,1,0,1|0,0,2]=4 86 B18R2.7138 NC(=O)c1c[n]ccc1\C=C\c2ccccc2 Amb21952644 [0,0,1,0,1,0|1,0,0]=3 87 B18R2.7138 NC(=O)c1ccccc1COc2ccccc2 Amb17144135 [0,0,1,0,1,0|1,0,1]=4 88 B18R2.7138 NC(=O)c1ccccc1OCc2ccccc2 Amb1094728 [0,0,1,0,1,0|1,0,1]=4 89 B18R2.7138 NC(=O)c1ccccc1\C=C\c2ccccc2 Amb19683605 [0,0,1,0,1,0|0,0,0]=2 90 B18R2.7138 OC(=O)c1ccccc1N=Cc2ccccc2 Amb22445220 [0,0,1,0,1,0|2,0,0]=4 91 B18R2.7181 CC(=O)Nc1ccccc1Cc2ccccc2 Amb2154166 [0,0,1,0,1,0|1,0,1]=4 92 B18R2.7181 NC(=S)Nc1ccccc1Oc2ccccc2 Amb2407073 [0,0,1,0,1,0|1,1,0]=4 93 B18R3.220425 NCc1c2ccccc2cc3ccccc31 Amb20171897 [1,0,0,0,1,0|1,0,1]=4 94 B18R3.993175 CC(=O)[n]1c2[n]cccc2c3ccccc13 Amb22456061 [0,0,0,0,2,0|2,0,0]=4 95 B18R3.993175 CC(=O)[n]1c2cc[n]cc2c3ccccc13 Amb24309251 [0,0,0,0,2,0|2,0,0]=4 96 B18R3.993175 NC(=O)C1c2ccccc2-c3ccccc31 Amb22754361 [0,0,0,0,2,0|1,0,0]=3 97 B18R3.993175 O=C(Cl)[n]1c2ccccc2c3ccccc13 Amb22732756 [0,0,0,0,2,0|1,0,0]=3 98 B18R3.993175 [O-][N+](=O)[n]1c2ccccc2c3ccccc13 Amb17933579 [0,0,0,0,2,0|2,0,0]=4 99 B20R3.5148346 CC(=O)CN1c2ccccc2Sc3ccccc13 Amb22055833 [0,0,0,0,1,1|2,0,0]=4 100 B20R3.5148346 NC(=O)NC1c2ccccc2Oc3c1cccc3 Amb1148217 [0,0,0,0,1,1|2,0,0]=4 101 B20R3.5148346 OC(=O)CN1c2ccccc2Sc3c1cccc3 Amb1888900 [0,0,0,0,1,1|2,0,0]=4