0 B15R2.984 CC1=NC2=CC=CC=C2C=C1[N+](=O)[O-] 2124AL [0,0,0,0,0,0|3,0,1]=4 1 B15R2.984 NC1=NC2=CC=CC=C2C=C1C(=O)O 3387AB [0,0,0,0,0,0|2,0,0]=2 2 B15R2.984 O=C(O)C1CC2=C(C=CC=C2)NC1=O 1892AB [0,0,0,0,0,0|1,0,2]=3 3 B15R2.984 O=C1NC2=C(C=C1[N+](=O)[O-])N=CC=C2 9832AB [0,0,0,0,0,0|3,0,1]=4 4 B15R2.984 O=[N+]([O-])C1=C(Br)C=C2C=CC=CC2=C1 7866AE [0,0,0,0,0,0|3,0,1]=4 5 B15R2.984 O=[N+]([O-])C1=C(I)C=C2C=CC=CC2=C1 7603AC [0,0,0,0,0,0|3,0,1]=4 6 B15R2.984 OB(O)C1=C(O)N=C2C=CC=CC2=C1 X6511 [0,0,0,0,0,0|2,0,2]=4 7 B14R2.781 CS(=O)C1=CC2=C(C=CC=C2)C=C1 7768AJ [1,0,0,0,0,0|3,0,0]=4 8 B14R2.781 NC(=O)C1=CC=C2C=CN=CC2=C1 2556AA [1,0,0,0,0,0|3,0,0]=4 9 B14R2.781 O=C(O)C1=NC2=C(C=CC=C2)C=C1 4701AC [1,0,0,0,0,0|2,0,0]=3 10 B14R2.781 O=C(O)C1=NC2=C(C=CN=C2)C=C1 3433AB [1,0,0,0,0,0|3,0,0]=4 11 B14R2.781 O=C(O)C1=NC2=CC=CC=C2C=N1 7320AJ [1,0,0,0,0,0|3,0,0]=4 12 B14R2.781 O=C(O)C1COC2=CC=CC=C2N1 2078AJ [1,0,0,0,0,0|1,0,2]=4 13 B14R2.1128 CC1OC2=C(C=CC=C2)C=C1C=O 5909AE [1,0,0,0,0,0|1,0,1]=3 14 B14R2.1128 O=C1OC2=C(C=CC=C2)N\C1=N\O 5043AC [1,0,0,0,0,0|2,0,0]=3 15 B14R2.1128 O=C1SC2=C(C=CC=C2)N\C1=N\O 5044AC [1,0,0,0,0,0|2,1,0]=4 16 B14R2.1128 O=CC1=C(Cl)C=C2N=CC=CC2=C1 5458AC [1,0,0,0,0,0|3,0,0]=4 17 B14R2.1128 O=CC1=C(F)C=C2N=CC=CC2=C1 X5100 [1,0,0,0,0,0|3,0,0]=4 18 B16R2.23372 CC(=O)C1=C(C)N=C2C=CC=CC2=C1C Z2199 [0,1,0,0,0,0|3,0,0]=4 19 B16R2.23372 CC(=O)C1=C(Cl)C2=CC=CC=C2N=C1C 6707AA [0,1,0,0,0,0|3,0,0]=4 20 B16R2.23520 CC(=O)C1=CC2=C(C=C(C)C=C2)OC1=O 6839AD [0,1,0,0,0,0|1,0,0]=2 21 B16R2.23520 NC(=O)C1=CC2=CC=C(O)C=C2OC1=O 9919AA [0,1,0,0,0,0|1,0,0]=2 22 B16R2.23521 O=C(O)C1=NC2=CC(F)=CC=C2NC1=O 4183AC [0,1,0,0,0,0|2,0,0]=3 23 B16R2.33941 COC(=O)C1=C(C)N=C2C=CC=CC2=C1 3127AB [0,1,0,0,0,0|2,0,0]=3 24 B16R2.83668 CN1C(=O)C(C(=O)O)=NC2=CC=CC=C21 6230AD [0,1,0,0,0,0|2,0,0]=3 25 B14R2.450 CC(=O)C1=C(Br)C2=C(C=CC=C2)O1 4717AF [0,0,0,0,1,0|3,0,0]=4 26 B14R2.450 CC(=O)C1=C(N)C2=C(C=CC=C2)O1 4270AE [0,0,0,0,1,0|3,0,0]=4 27 B14R2.450 CC(=O)C1=CC2=C(C=CC=C2)N1C 1366AL [0,0,0,0,1,0|3,0,0]=4 28 B14R2.450 CN1C(C(N)=O)=CC2=CC=CC=C21 5689AE [0,0,0,0,1,0|3,0,0]=4 29 B14R2.450 NC1=C(C(=O)O)SC2=CC=CC=C21 2607AE [0,0,0,0,1,0|2,0,0]=3 30 B14R2.450 O=C(O)C1=C(Br)C2=CC=CC=C2S1 0811AQ [0,0,0,0,1,0|2,0,0]=3 31 B14R2.450 O=C(O)C1=C(Cl)N2C=CC=CC2=N1 Y6743 [0,0,0,0,1,0|3,0,0]=4 32 B14R2.642 CC(=O)N1C(=O)CC2=C1C=CC=C2 1090AB [0,0,0,0,1,0|3,0,0]=4 33 B14R2.642 CC1=NN2C=CC=CC2=C1C(=O)O 2545AC [0,0,0,0,1,0|3,0,0]=4 34 B16R2.3989 O=C(O)CC1=CC2=C(C=CC=C2)OC1=O 7097AD [0,0,0,0,0,1|0,0,0]=1 35 B13R1.90 O=CC1=C(OCC(=O)O)C=CC=C1 Z1608 [1,0,1,0,0,0|1,0,1]=4 36 B13R2.57 O=CC1=CC2=C(C=CC=N2)N=C1 4506AF [2,0,0,0,0,0|2,0,0]=4 37 B13R2.57 O=CC1=NN=C2C=CC=CC2=C1 7080AB [2,0,0,0,0,0|2,0,0]=4 38 B13R2.369 CC1=CC2=CC=CC=C2NC1=O 2544AB [2,0,0,0,0,0|1,0,1]=4 39 B13R2.369 O=C1NC2=CC=CC=C2C=C1Cl 6012AC [2,0,0,0,0,0|2,0,0]=4 40 B15R1.7062 CCOC1=C(\C=C\C(=O)O)C=C(Br)C=C1 5682AD [0,1,1,0,0,0|1,0,1]=4 41 B15R2.1601 COC(=O)C1=CC2=C(C=CC=C2)OC1 4529AB [1,1,0,0,0,0|0,0,1]=3 42 B15R2.7180 O=C(O)C1=CC2=C(C=N1)C=C(Cl)C=C2 1556AB [1,1,0,0,0,0|2,0,0]=4 43 B15R2.7180 O=C(O)C1=CC2=CC=C(O)C=C2CC1 3249AA [1,1,0,0,0,0|1,0,1]=4 44 B15R2.13598 O=C(O)C1=CC2=C(C=C1)C(=O)NC=C2 5532AA [1,1,0,0,0,0|2,0,0]=4 45 B15R2.13598 O=C(O)C1=CC2=CC=CC(Cl)=C2N=C1 1020AC [1,1,0,0,0,0|1,0,0]=3 46 B15R2.13598 O=C(O)C1=CC2=NC=CC(Cl)=C2C=C1 Z4797 [1,1,0,0,0,0|2,0,0]=4 47 B15R2.14951 CC1=CC(C(=O)O)=NC2=CC=CC=C12 2764AE [1,1,0,0,0,0|2,0,0]=4 48 B15R2.14951 O=C(O)C1=CC(Cl)=C2C=CC=CC2=N1 Y7660 [1,1,0,0,0,0|2,0,0]=4 49 B15R2.61353 NC1=C2C=C(C(=O)O)N=CC2=CC=C1 Y4126 [1,1,0,0,0,0|2,0,0]=4 50 B15R2.61353 O=C(O)C1=CC2=C(Cl)C=CN=C2C=C1 Y5409 [1,1,0,0,0,0|2,0,0]=4 51 B15R2.61353 O=C(O)C1=CC=C2C=CN=C(Cl)C2=C1 1348AC [1,1,0,0,0,0|2,0,0]=4 52 B15R2.274 O=CC1=C(Cl)C2=CC=CC=C2OC1=O 6898AB [1,1,0,0,0,0|0,0,0]=2 53 B15R2.1592 COC(=O)C1=C(C)C2=C(C=CC=C2)N1 3550AL [0,1,0,0,1,0|2,0,0]=4 54 B15R2.9921 CC(=O)C1C(=O)C2=CC=CC=C2C1=O 1046AQ [0,1,0,0,1,0|1,0,1]=4 55 B15R2.9921 CC1=C(C(=O)O)N(C)C2=CC=CC=C21 6932AD [0,1,0,0,1,0|2,0,0]=4 56 B15R2.9921 CN1C2=C(C=CC=C2)C(Br)=C1C(=O)O 4323AE [0,1,0,0,1,0|2,0,0]=4 57 B15R2.14758 O=C(O)C1=C(O)C2=CC=C(Br)C=C2N1 3917AC [0,1,0,0,1,0|1,0,1]=4 58 B15R2.381 CC1=C(C(=O)O)C2=CC=C(Br)C=C2N1 4932AA [0,1,0,0,1,0|2,0,0]=4 59 B15R2.381 CC1=C(C(=O)O)C2=CC=C(O)C=C2O1 3263AC [0,1,0,0,1,0|1,0,0]=3 60 B15R2.381 CC1=CC2=C(C=C1)C(C(=O)O)=C(C)N2 X5598 [0,1,0,0,1,0|2,0,0]=4 61 B17R2.155690 CC1=C(C(=O)O)C(=O)C2=C(C=CC=C2)N1C W1042 [0,2,0,0,0,0|2,0,0]=4 62 B15R2.19753 O=C(O)\C=C\C1=CC=CC2=C1NC=C2 2870AB [0,0,1,1,0,0|2,0,0]=4 63 B15R2.1162 O=C(O)C1=C(Cl)N=CC2=CC=CC=C21 4513AA [0,0,1,1,0,0|2,0,0]=4 64 B17R3.31564 NC1=C2C(=O)OC3=C(C=CC=C3)C2=CS1 2871AE [0,1,0,1,0,0|1,1,0]=4 65 B13R1.201 O=C(O)CC(=O)C1=C(Cl)C=CC=C1 1943AJ [0,0,1,0,1,0|1,0,1]=4 66 B13R2.72 O=C(O)C1=C2C=CC=CC2=CN1 1900AA [1,0,0,0,1,0|2,0,0]=4 67 B13R2.72 O=C(O)C1=CNC2=C1N=CC=C2 3427AC [1,0,0,0,1,0|2,0,0]=4 68 B13R2.430 O=C(O)C1=CN2C=CC=C2N=C1 9840AJ [1,0,0,0,1,0|2,0,0]=4 69 B13R2.435 CC(=O)C1=CN2C=CC=CC2=C1 6070AE [1,0,0,0,1,0|2,0,0]=4 70 B13R2.435 NC(=O)C1=CC2=CC=CC=C2O1 W6567 [1,0,0,0,1,0|1,0,0]=3 71 B13R2.435 O=C(O)C1=CN2N=CC=CC2=C1 3094AA [1,0,0,0,1,0|2,0,0]=4 72 B13R2.45 O=CC1=C(Br)C2=CC=CC=C2S1 0373AQ [1,0,0,0,1,0|2,0,0]=4 73 B13R2.45 O=CC1=C(Cl)C2=CC=CC=C2N1 8761AC [1,0,0,0,1,0|2,0,0]=4 74 B13R2.45 O=CC1=C(I)C2=C(C=CC=C2)N1 5891AD [1,0,0,0,1,0|2,0,0]=4 75 B15R1.3565 O=C(O)C\C(=C/C1=CC=CC=C1)C(=O)O Z2511 [0,0,1,0,0,1|0,0,0]=2 76 B15R2.988 NC1=NC2=C(C=CC=C2)C(C(=O)O)=C1 4971AD [0,0,0,0,1,1|2,0,0]=4 77 B15R2.988 NC1=NC2=C(C=CC=C2)C(C(=O)O)=N1 0131AA [0,0,0,0,1,1|2,0,0]=4