0 B21R3.6855163 CC(=O)N1c2ccccc2CC(=O)c3ccccc31 Amb22276999 [0,0,0,0,0,0|1,0,0]=1 1 B21R3.6855163 NC(=O)N1c2ccccc2C=C(Br)c3ccccc31 Amb24059380 [0,0,0,0,0,0|1,0,1]=2 2 B21R3.6855163 NC(=O)N1c2ccccc2CC(=O)c3ccccc31 Amb534676 [0,0,0,0,0,0|0,0,0]=0 3 B21R3.6855163 NC(=O)N1c2ccccc2CC(O)c3ccccc31 Amb8397554 [0,0,0,0,0,0|0,0,2]=2 4 B21R3.6855163 NC(=O)N1c2ccccc2C[C@@H](O)c3ccccc31 Amb17618081 [0,0,0,0,0,0|0,0,2]=2 5 B20R3.5063761 CC(=O)N1c2ccccc2CCc3ccccc31 Amb577833 [1,0,0,0,0,0|1,0,1]=3 6 B20R3.5063761 N=C(O)N1c2ccccc2C=Cc3ccccc31 Amb22167477 [1,0,0,0,0,0|0,0,3]=4 7 B20R3.5063761 NC(=O)N1c2ccccc2C=Cc3ccccc31 Amb6354732 [1,0,0,0,0,0|0,0,1]=2 8 B20R3.5063761 NC(=O)N1c2ccccc2CCc3ccccc31 Amb654518 [1,0,0,0,0,0|0,0,1]=2 9 B20R3.5063761 O=C(Cl)N1c2ccccc2C=Cc3ccccc31 Amb680231 [1,0,0,0,0,0|1,0,1]=3 10 B20R3.5063761 O=C(Cl)N1c2ccccc2CCc3ccccc31 Amb2612604 [1,0,0,0,0,0|1,0,1]=3 11 B22R3.17329053 COC1=Cc2ccccc2N(C(C)=O)c3ccccc31 Amb22277000 [0,1,0,0,0,0|1,0,2]=4 12 B22R3.17329053 COC1=Cc2ccccc2N(C(N)=O)c3ccccc31 Amb17616932 [0,1,0,0,0,0|0,0,2]=3 13 B22R3.99401895 O=C1Nc2cccnc2N(C(=O)CCl)c3ccccc31 Amb17856343 [0,1,0,0,0,0|3,0,0]=4 14 B20R2.17795 CC(=O)Nc1ccccc1C(=O)Nc2ccccc2 Amb1351512 [0,0,1,0,0,0|2,0,0]=3 15 B22R4.14913001 NC(=O)N1c2ccccc2C3OC3c4ccccc41 Amb17610479 [0,0,0,1,0,0|0,0,2]=3 16 B20R3.3482734 O=C1c2ccccc2C([N+](=O)[O-])c3ccccc31 Amb16233587 [0,0,0,0,1,0|3,0,0]=4 17 B19R2.13525 CC(=O)Nc1ccccc1CCc2ccccc2 Amb17777268 [1,0,1,0,0,0|1,0,1]=4 18 B19R2.13525 CC(=O)Nc1ccccc1OCc2ccccc2 Amb1233367 [1,0,1,0,0,0|2,0,0]=4 19 B19R2.13525 CC(=O)Nc1ccccc1\C=C/c2ccccc2 Amb17843029 [1,0,1,0,0,0|1,0,1]=4 20 B19R2.13525 O=C(Cl)Nc1ccccc1OCc2ccccc2 Amb35625642 [1,0,1,0,0,0|2,0,0]=4 21 B19R2.2131 O=NN(c1ccccc1)c2ccccc2C(=O)O Amb535008 [1,0,1,0,0,0|2,0,0]=4 22 B19R3.1757189 O=CN1c2ccccc2CSc3ccccc31 Amb2610568 [2,0,0,0,0,0|1,0,0]=3 23 B19R3.370303 O=C1Nc2ccccc2C(=O)c3ccccc31 Amb19958244 [2,0,0,0,0,0|2,0,0]=4 24 B19R3.370303 O=c1oc2ccccc2c(=O)c3ccccc13 Amb8629350 [2,0,0,0,0,0|2,0,0]=4 25 B21R2.37407 CCC(=O)Nc1ccccc1C(=O)Nc2ccccc2 Amb6349929 [0,1,1,0,0,0|2,0,0]=4 26 B21R2.106668 CC(=O)Nc1ccccc1OC(=O)c2ccccc2C Amb6541321 [0,1,1,0,0,0|2,0,0]=4 27 B21R2.513071 O=C(O)c1ccccc1N(C(=O)CCl)c2ccccc2 Amb2793366 [0,1,1,0,0,0|2,0,0]=4 28 B21R3.3846869 CC(=O)N1c2ccccc2CCc3ccc(Cl)cc31 Amb8387658 [1,1,0,0,0,0|1,0,1]=4 29 B21R3.3846869 CC(=O)N1c2ccccc2CCc3ccc(N)cc31 Amb6336269 [1,1,0,0,0,0|1,0,1]=4 30 B21R3.9509984 O=C(CBr)N1c2ccccc2CCc3ccccc31 Amb33172879 [1,1,0,0,0,0|1,0,1]=4 31 B21R3.9509984 O=C(CCl)N1c2ccccc2C=Cc3ccccc31 Amb1063464 [1,1,0,0,0,0|1,0,1]=4 32 B21R3.9509984 O=C(CCl)N1c2ccccc2CCc3ccccc31 Amb6364704 [1,1,0,0,0,0|1,0,1]=4 33 B21R3.9509984 O=C(CO)N1c2ccccc2CCc3ccccc31 Amb5798137 [1,1,0,0,0,0|1,0,1]=4 34 B21R3.51083628 O=C(CCl)N1c2ccccc2S(=O)c3ccccc31 Amb13777327 [0,1,0,0,1,0|2,0,0]=4 35 B21R3.19521 O=C1CN(C(=O)c2ccccc2)c3ccccc3N1 Amb1543195 [0,0,1,1,0,0|2,0,0]=4 36 B19R2.8825 NC(=O)c1ccccc1C(=O)Cc2ccccc2 Amb4006810 [0,0,1,0,1,0|0,0,0]=2 37 B19R2.8825 O=C(O)c1ccccc1C(=O)Nc2ccccc2 Amb842779 [0,0,1,0,1,0|2,0,0]=4 38 B19R2.13527 CC(=O)Nc1ccccc1C(=O)c2ccccc2 Amb17749398 [0,0,1,0,1,0|1,0,0]=3 39 B19R2.13527 CC(=O)Nc1ccccc1C(=O)c2ccccn2 Amb17596661 [0,0,1,0,1,0|2,0,0]=4 40 B19R2.13527 CC(=O)Oc1ccccc1C(=O)c2ccccc2 Amb6300723 [0,0,1,0,1,0|2,0,0]=4 41 B19R2.8831 CC(=O)c1ccccc1NC(=O)c2ccccc2 Amb157515 [0,0,1,0,1,0|2,0,0]=4 42 B19R2.8831 CC(=O)c1ccccc1OC(=O)c2ccccc2 Amb2720841 [0,0,1,0,1,0|2,0,0]=4 43 B19R2.8831 O=C(Cc1ccccc1C(=O)O)c2ccccc2 Amb18548591 [0,0,1,0,1,0|1,0,0]=3 44 B19R2.8831 O=C(Cc1ccccc1[N+](=O)[O-])c2ccccc2 Amb17845551 [0,0,1,0,1,0|2,0,0]=4 45 B19R2.8831 O=C(Nc1ccccc1C(=O)O)c2ccccc2 Amb1014351 [0,0,1,0,1,0|2,0,0]=4 46 B19R2.8831 O=C(O)c1ccccc1CS(=O)c2ccccc2 Amb2725069 [0,0,1,0,1,0|2,0,0]=4 47 B19R2.8831 O=C(Oc1ccccc1C(=O)O)c2ccccc2 Amb2612262 [0,0,1,0,1,0|2,0,0]=4 48 B19R3.629728 CC(=O)N1c2ccccc2Sc3ccccc31 Amb3693328 [1,0,0,0,1,0|2,0,0]=4 49 B19R3.629728 CC(=O)c1c2ccccc2cc3ccccc13 Amb6342154 [1,0,0,0,1,0|2,0,0]=4 50 B19R3.629728 NC(=O)C1c2ccccc2Oc3ccccc31 Amb6567583 [1,0,0,0,1,0|2,0,0]=4 51 B19R3.629728 O=C(Cl)N1c2ccccc2Sc3ccccc31 Amb6366359 [1,0,0,0,1,0|2,0,0]=4 52 B19R3.629728 O=C(O)C1c2ccccc2Cc3ccccc31 Amb4017810 [1,0,0,0,1,0|2,0,0]=4 53 B19R3.629728 O=C(O)c1c2ccccc2cc3ccccc13 Amb1232850 [1,0,0,0,1,0|2,0,0]=4 54 B19R3.6137085 C=CN1c2ccccc2C(=O)c3ccccc31 Amb18548536 [1,0,0,0,1,0|1,0,0]=3 55 B19R3.6137085 NN=C1c2ccccc2C(=O)c3ccccc31 Amb2721135 [1,0,0,0,1,0|2,0,0]=4 56 B19R3.6137085 O=Cc1c2ccccc2c(Cl)c3ccccc13 Amb2725825 [1,0,0,0,1,0|2,0,0]=4 57 B21R2.22510 CC(=O)Nc1ccccc1C(=O)NCc2ccccc2 Amb4310706 [0,0,1,0,0,1|1,0,0]=3 58 B21R2.22510 CC(=O)Nc1ccccc1C(=O)NCc2cccnc2 Amb7084812 [0,0,1,0,0,1|2,0,0]=4 59 B21R2.4821877 CC(=O)c1ccccc1OC(C(=O)O)c2ccccc2 Amb18092940 [0,0,1,0,0,1|2,0,0]=4 60 B21R3.7993561 O=C(O)CN1c2ccccc2CCc3ccccc31 Amb2695666 [1,0,0,0,0,1|1,0,1]=4 61 B21R3.4977767 CC(=O)OC1c2ccccc2C(=O)c3ccccc31 Amb17596946 [0,0,0,0,1,1|2,0,0]=4 62 B21R3.4977767 O=C(O)CN1c2ccccc2C(=O)c3ccccc31 Amb19372569 [0,0,0,0,1,1|1,0,0]=3