0 B20R3.5063761 CC(=O)N1c2ccccc2CCc3ccccc31 Amb577833 [0,0,0,0,0,0|1,0,2]=3 1 B20R3.5063761 N=C(O)N1c2ccccc2C=Cc3ccccc31 Amb22167477 [0,0,0,0,0,0|0,0,2]=2 2 B20R3.5063761 NC(=O)N1c2ccccc2C=Cc3ccccc31 Amb6354732 [0,0,0,0,0,0|0,0,0]=0 3 B20R3.5063761 NC(=O)N1c2ccccc2CCc3ccccc31 Amb654518 [0,0,0,0,0,0|0,0,2]=2 4 B20R3.5063761 O=C(Cl)N1c2ccccc2C=Cc3ccccc31 Amb680231 [0,0,0,0,0,0|1,0,0]=1 5 B20R3.5063761 O=C(Cl)N1c2ccccc2CCc3ccccc31 Amb2612604 [0,0,0,0,0,0|1,0,2]=3 6 B19R3.1757189 N#CN1c2ccccc2C=Cc3ccccc31 Amb8387454 [1,0,0,0,0,0|0,0,2]=3 7 B19R3.1757189 O=CN1c2ccccc2CSc3ccccc31 Amb2610568 [1,0,0,0,0,0|1,0,1]=3 8 B19R3.1757189 ON=C1c2ccccc2C=Cc3ccccc31 Amb22346151 [1,0,0,0,0,0|2,0,1]=4 9 B21R3.3846869 CC(=O)N1c2ccccc2CCc3ccc(Cl)cc31 Amb8387658 [0,1,0,0,0,0|1,0,2]=4 10 B21R3.3846869 CC(=O)N1c2ccccc2CCc3ccc(N)cc31 Amb6336269 [0,1,0,0,0,0|1,0,2]=4 11 B21R3.6855163 CC(=O)N1c2ccccc2CC(=O)c3ccccc31 Amb22276999 [0,1,0,0,0,0|1,0,1]=3 12 B21R3.6855163 NC(=O)N1c2ccccc2C=C(Br)c3ccccc31 Amb24059380 [0,1,0,0,0,0|0,0,0]=1 13 B21R3.6855163 NC(=O)N1c2ccccc2CC(=O)c3ccccc31 Amb534676 [0,1,0,0,0,0|0,0,1]=2 14 B21R3.6855163 NC(=O)N1c2ccccc2CC(O)c3ccccc31 Amb8397554 [0,1,0,0,0,0|0,0,2]=3 15 B21R3.6855163 NC(=O)N1c2ccccc2C[C@@H](O)c3ccccc31 Amb17618081 [0,1,0,0,0,0|0,0,2]=3 16 B21R3.9509984 O=C(CBr)N1c2ccccc2CCc3ccccc31 Amb33172879 [0,1,0,0,0,0|1,0,2]=4 17 B21R3.9509984 O=C(CCl)N1c2ccccc2C=Cc3ccccc31 Amb1063464 [0,1,0,0,0,0|1,0,0]=2 18 B21R3.9509984 O=C(CCl)N1c2ccccc2CCc3ccccc31 Amb6364704 [0,1,0,0,0,0|1,0,2]=4 19 B21R3.9509984 O=C(CO)N1c2ccccc2CCc3ccccc31 Amb5798137 [0,1,0,0,0,0|1,0,2]=4 20 B19R2.13525 CC(=O)Nc1ccccc1C#Cc2ccccc2 Amb17777296 [0,0,1,0,0,0|1,0,2]=4 21 B19R2.13525 CC(=O)Nc1ccccc1CCc2ccccc2 Amb17777268 [0,0,1,0,0,0|1,0,2]=4 22 B19R2.13525 CC(=O)Nc1ccccc1NNc2ccccc2 Amb17777436 [0,0,1,0,0,0|3,0,0]=4 23 B19R2.13525 CC(=O)Nc1ccccc1OCc2ccccc2 Amb1233367 [0,0,1,0,0,0|2,0,1]=4 24 B19R2.13525 CC(=O)Nc1ccccc1\C=C/c2ccccc2 Amb17843029 [0,0,1,0,0,0|1,0,0]=2 25 B19R2.13525 CC(=O)Nc1ccccc1\N=N\c2ccccc2 Amb17843054 [0,0,1,0,0,0|3,0,0]=4 26 B19R2.13525 CC(=O)Oc1ccccc1\C=C\c2ccccc2 Amb17871584 [0,0,1,0,0,0|2,0,0]=3 27 B19R2.13525 O=C(Cl)Nc1ccccc1OCc2ccccc2 Amb35625642 [0,0,1,0,0,0|2,0,1]=4 28 B19R2.13525 O=C(O)C[n+]1ccccc1\C=C\c2ccccc2 Amb31127606 [0,0,1,0,0,0|3,0,0]=4 29 B19R3.629728 CC(=O)N1c2ccccc2Sc3ccccc31 Amb3693328 [0,0,0,0,1,0|2,0,0]=3 30 B19R3.629728 CC(=O)c1c2ccccc2cc3ccccc13 Amb6342154 [0,0,0,0,1,0|2,0,0]=3 31 B19R3.629728 NC(=O)C1c2ccccc2Oc3ccccc31 Amb6567583 [0,0,0,0,1,0|2,0,0]=3 32 B19R3.629728 O=C(Cl)C1c2ccccc2Oc3ccccc31 Amb2691204 [0,0,0,0,1,0|3,0,0]=4 33 B19R3.629728 O=C(Cl)N1c2ccccc2Sc3ccccc31 Amb6366359 [0,0,0,0,1,0|2,0,0]=3 34 B19R3.629728 O=C(Cl)c1c2ccccc2nc3ccccc13 Amb8629449 [0,0,0,0,1,0|3,0,0]=4 35 B19R3.629728 O=C(O)C1c2ccccc2Cc3ccccc31 Amb4017810 [0,0,0,0,1,0|2,0,1]=4 36 B19R3.629728 O=C(O)C1c2ccccc2Oc3ccccc31 Amb264325 [0,0,0,0,1,0|3,0,0]=4 37 B19R3.629728 O=C(O)c1c2ccccc2cc3ccccc13 Amb1232850 [0,0,0,0,1,0|2,0,0]=3 38 B19R3.629728 O=C(O)c1c2ccccc2nc3ccccc13 Amb1775092 [0,0,0,0,1,0|3,0,0]=4 39 B19R3.629728 O=C(O)c1c2ccccc2nc3ccccc13 Amb2719851 [0,0,0,0,1,0|3,0,0]=4 40 B19R3.629728 O=[N+]([O-])c1c2ccccc2cc3ccccc13 Amb1791655 [0,0,0,0,1,0|3,0,0]=4 41 B21R3.7993561 O=C(O)CN1c2ccccc2CCc3ccccc31 Amb2695666 [0,0,0,0,0,1|1,0,2]=4 42 B18R2.2627 O=CNc1ccccc1OCc2ccccc2 Amb1633990 [1,0,1,0,0,0|1,0,1]=4 43 B18R3.59194 O=C1c2ccccc2C=Cc3ccccc31 Amb19886545 [2,0,0,0,0,0|1,0,0]=3 44 B18R3.59194 OC1c2ccccc2C=Cc3ccccc31 Amb4605912 [2,0,0,0,0,0|1,0,1]=4 45 B20R2.17795 CC(=O)Nc1ccccc1C(=O)Nc2ccccc2 Amb1351512 [0,1,1,0,0,0|2,0,0]=4 46 B20R3.143064 CC(=O)N1c2ccccc2Sc3ccc(Cl)cc31 Amb5797434 [0,1,0,0,1,0|2,0,0]=4 47 B20R3.5877517 COC(=O)c1c2ccccc2cc3ccccc13 Amb10368767 [0,1,0,0,1,0|2,0,0]=4 48 B20R3.5877517 N#CC(=O)c1c2ccccc2cc3ccccc13 Amb22369393 [0,1,0,0,1,0|1,0,1]=4 49 B20R3.5877517 NNC(=O)C1c2ccccc2Oc3ccccc31 Amb6405385 [0,1,0,0,1,0|2,0,0]=4 50 B20R3.5877517 O=C(CCl)N1c2ccccc2Sc3ccccc31 Amb6336099 [0,1,0,0,1,0|2,0,0]=4 51 B20R3.5877517 O=C(CO)N1c2ccccc2Sc3ccccc31 Amb1111368 [0,1,0,0,1,0|2,0,0]=4 52 B22R3.17329053 COC1=Cc2ccccc2N(C(C)=O)c3ccccc31 Amb22277000 [0,2,0,0,0,0|1,0,0]=3 53 B22R3.17329053 COC1=Cc2ccccc2N(C(N)=O)c3ccccc31 Amb17616932 [0,2,0,0,0,0|0,0,0]=2 54 B22R3.13446522 O=C(CCCl)N1c2ccccc2C=Cc3ccccc31 Amb2722381 [0,2,0,0,0,0|1,0,0]=3 55 B20R3.12909 O=C1C=C(c2ccccc2)Sc3ccccc3N1 Amb3650058 [0,0,1,1,0,0|2,0,0]=4 56 B20R3.12909 O=C1CC(c2ccccc2)=Nc3ccccc3N1 Amb1540183 [0,0,1,1,0,0|2,0,0]=4 57 B20R3.12802 CC1=CC(=O)N(c2ccccc2)c3ccccc31 Amb22359525 [0,0,1,1,0,0|1,0,1]=4 58 B20R3.12802 O=C1C=C(Cl)c2ccccc2N1c3ccccc3 Amb19787010 [0,0,1,1,0,0|2,0,0]=4 59 B20R3.12802 O=C1C=C(O)c2ccccc2N1c3ccccc3 Amb19513946 [0,0,1,1,0,0|2,0,0]=4 60 B20R3.12802 O=C1C=C(S)c2ccccc2N1c3ccccc3 Amb20652901 [0,0,1,1,0,0|2,0,0]=4 61 B20R3.12802 O=C1CC(=O)N(c2ccccc2)c3ccccc31 Amb1582040 [0,0,1,1,0,0|2,0,0]=4 62 B20R3.45749 COc1ccccc1N2C(=O)Nc3ccccc32 Amb18538820 [0,0,1,1,0,0|1,0,1]=4 63 B22R4.14913001 NC(=O)N1c2ccccc2C3OC3c4ccccc41 Amb17610479 [0,0,0,1,0,1|0,0,2]=4 64 B18R2.7138 NC(=O)c1ccccc1COc2ccccc2 Amb17144135 [0,0,1,0,1,0|1,0,1]=4 65 B18R2.7138 NC(=O)c1ccccc1\N=C\c2ccccc2 Amb6398968 [0,0,1,0,1,0|1,0,0]=3 66 B18R2.7138 NC(=O)c1ccccc1\N=C\c2ccccn2 Amb6404795 [0,0,1,0,1,0|2,0,0]=4 67 B18R2.7138 NC(=O)c1ccccc1\N=C\c2cccnc2 Amb6397557 [0,0,1,0,1,0|2,0,0]=4 68 B18R2.7138 O=C(O)c1ccccc1\C=C\c2ccccc2 Amb2616729 [0,0,1,0,1,0|1,0,0]=3 69 B18R2.7181 CC(=O)Nc1ccccc1Cc2ccccc2 Amb2154166 [0,0,1,0,1,0|1,0,1]=4 70 B18R2.7181 CC(=O)Nc1ccccc1Oc2ccccc2 Amb6564309 [0,0,1,0,1,0|2,0,0]=4 71 B18R2.7181 NC(=O)Nc1ccccc1Oc2ccccc2 Amb6248928 [0,0,1,0,1,0|1,0,0]=3 72 B18R2.7181 NC(=S)Nc1ccccc1Cc2ccccc2 Amb9204460 [0,0,1,0,1,0|0,1,1]=4 73 B18R2.7181 NC(=S)Nc1ccccc1Oc2ccccc2 Amb2407073 [0,0,1,0,1,0|1,1,0]=4 74 B18R3.220425 C=Cc1c2ccccc2cc3ccccc13 Amb3941501 [1,0,0,0,1,0|2,0,0]=4 75 B18R3.220425 NCc1c2ccccc2cc3ccccc13 Amb20171897 [1,0,0,0,1,0|1,0,1]=4 76 B18R3.220425 O=CC1c2ccccc2Oc3ccccc31 Amb9786956 [1,0,0,0,1,0|2,0,0]=4 77 B18R3.220425 O=Cc1c2ccccc2cc3ccccc13 Amb2792750 [1,0,0,0,1,0|1,0,0]=3 78 B18R3.220425 O=Cc1c2ccccc2nc3ccccc13 Amb2613380 [1,0,0,0,1,0|2,0,0]=4 79 B18R3.993175 CC(=O)C1c2ccccc2-c3ccccc31 Amb32953242 [0,0,0,0,2,0|2,0,0]=4 80 B18R3.993175 CC(=O)n1c2ccccc2c3ccccc31 Amb2747961 [0,0,0,0,2,0|1,0,0]=3 81 B18R3.993175 CC(=O)n1c2ccccc2c3cnccc31 Amb24309251 [0,0,0,0,2,0|2,0,0]=4 82 B18R3.993175 N=C(N)C1c2ccccc2-c3ccccc31 Amb33200155 [0,0,0,0,2,0|2,0,0]=4 83 B18R3.993175 NC(=O)C1c2ccccc2-c3ccccc31 Amb22754361 [0,0,0,0,2,0|1,0,0]=3 84 B18R3.993175 NC(=S)C1c2ccccc2-c3ccccc31 Amb33200156 [0,0,0,0,2,0|1,1,0]=4 85 B18R3.993175 O=C(Cl)C1c2ccccc2-c3ccccc31 Amb2613774 [0,0,0,0,2,0|2,0,0]=4 86 B18R3.993175 O=C(Cl)n1c2ccccc2c3ccccc31 Amb22732756 [0,0,0,0,2,0|1,0,0]=3 87 B18R3.993175 O=C(O)C1c2ccccc2-c3ccccc31 Amb6356442 [0,0,0,0,2,0|2,0,0]=4 88 B20R2.290374 C=Cc1ccccc1\C=C(/C(=O)O)c2ccccc2 Amb2609067 [0,0,1,0,0,1|2,0,0]=4 89 B20R3.5148346 O=C(O)CN1c2ccccc2Sc3ccccc31 Amb1888900 [0,0,0,0,1,1|2,0,0]=4