0 B13R1.547 COC(=O)C1=C(C(=O)O)C=CN=C1 AT17431 [0,0,0,0,0,0|4,0,0]=4 1 B13R1.547 COC(=O)C1=C(C(=O)O)N=CC=C1 AB9542 [0,0,0,0,0,0|4,0,0]=4 2 B13R1.547 COC(=O)C1=C(C(F)F)C=CC=C1 CK2184 [0,0,0,0,0,0|3,0,0]=3 3 B13R1.547 COC(=O)C1=NC=CC=C1C(N)=O AC5704 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.77 COC(=O)C1=C(C#N)C=CN=C1 D87572 [1,0,0,0,0,0|3,0,0]=4 5 B12R1.77 COC(=O)C1=C(C=O)C=CN=C1 W18508 [1,0,0,0,0,0|3,0,0]=4 6 B12R1.77 COC(=O)C1=C(CBr)C=CN=C1 D80980 [1,0,0,0,0,0|3,0,0]=4 7 B12R1.77 COC(=O)C1=C(CCl)C=NC=C1 90031 [1,0,0,0,0,0|3,0,0]=4 8 B12R1.77 COC(=O)C1=C(CN)N=CC=C1 D87629 [1,0,0,0,0,0|3,0,0]=4 9 B12R1.77 COC(=O)C1=C(OC)C=NC=C1 S10378 [1,0,0,0,0,0|2,0,0]=3 10 B12R1.77 COC(=O)C1=C(OC)N=CN=C1 AC6904 [1,0,0,0,0,0|3,0,0]=4 11 B12R1.77 COC(=O)C1=C(OC)N=NC=C1 F30440 [1,0,0,0,0,0|3,0,0]=4 12 B12R1.77 COC(=O)C1=CC=CN=C1CBr 90029 [1,0,0,0,0,0|3,0,0]=4 13 B12R1.77 COC1=C(C(=O)CN)C=CC=C1 C74781 [1,0,0,0,0,0|3,0,0]=4 14 B12R1.77 COC1=C(C(=O)CO)C=CC=C1 AC5663 [1,0,0,0,0,0|3,0,0]=4 15 B12R1.261 CC(=O)C1=C(C(=O)O)C=CC=N1 O10637 [1,0,0,0,0,0|3,0,0]=4 16 B12R1.261 CC(C)C1=C([C@H](C)N)C=CC=C1 N14848 [1,0,0,0,0,0|2,0,1]=4 17 B12R1.261 CN(C)C1=C(C(=O)O)C=NC=C1 D72071 [1,0,0,0,0,0|1,0,0]=2 18 B12R1.261 CN(C)C1=C(N(C)C)C=CC=C1 S11716 [1,0,0,0,0,0|2,0,0]=3 19 B12R1.261 CN(C)C1=C([N+](=O)[O-])C=CC=N1 D75080 [1,0,0,0,0,0|2,0,1]=4 20 B14R1.623 CCOC(=O)C1=C(C(C)=O)N=CC=C1 74538 [0,1,0,0,0,0|3,0,0]=4 21 B14R1.707 COC(=O)C1=C(B(O)O)C=CC(C)=C1 AC3405 [0,1,0,0,0,0|3,0,0]=4 22 B14R1.707 COC(=O)C1=C([C@H](C)Br)C=CC(Br)=C1 94185 [0,1,0,0,0,0|2,0,0]=3 23 B14R1.746 COC(=N)C1=C(C(=O)OC)C=CC=C1 AC4922 [0,1,0,0,0,0|2,0,0]=3 24 B14R1.746 COC(=O)C1=C([C@@H](N)CO)C=CC=C1 N14352 [0,1,0,0,0,0|2,0,0]=3 25 B14R1.1126 COC(=O)C1=C(B(O)O)C=C(N)C=C1 95765 [0,1,0,0,0,0|3,0,0]=4 26 B14R2.7724 CN1C=C(I)C(=O)C2=C1C=CC=C2 D86979 [0,0,0,1,0,0|2,0,1]=4 27 B14R2.24350 O=C1OCC2=CC=CC([N+](=O)[O-])=C12 W17593 [0,0,0,1,0,0|2,0,1]=4 28 B12R1.368 COC(=O)C1=C(C(C)C)OC=N1 AT13841 [0,0,0,0,1,0|3,0,0]=4 29 B11R1.53 C=CC1=C(C(=O)O)C=CC=C1 O10854 [2,0,0,0,0,0|1,0,1]=4 30 B11R1.53 CCC1=C(C(C)=O)C=CN=C1 CL0371 [2,0,0,0,0,0|2,0,0]=4 31 B11R1.53 CSC1=C(C(=O)O)N=CC=C1 AT16224 [2,0,0,0,0,0|2,0,0]=4 32 B11R1.222 CC1=C(C(=O)CO)C=CC=C1 AC4310 [2,0,0,0,0,0|2,0,0]=4 33 B11R1.222 CCC(=O)C1=C(Br)C=CC=C1 72058 [2,0,0,0,0,0|2,0,0]=4 34 B11R1.222 CCC(=O)C1=NC=CC=C1C N12289 [2,0,0,0,0,0|2,0,0]=4 35 B11R1.222 CNC(=O)C1=C(I)C=CC=C1 E72599 [2,0,0,0,0,0|2,0,0]=4 36 B11R1.222 COC(=N)C1=C(Br)C=CC=C1 AC5256 [2,0,0,0,0,0|2,0,0]=4 37 B11R1.222 COC(=O)C1=C(C)C=NC=C1 CS1425 [2,0,0,0,0,0|1,0,0]=3 38 B11R1.222 COC(=O)C1=NC=NC=C1C F53212 [2,0,0,0,0,0|2,0,0]=4 39 B11R1.222 NC1=C(C(=O)CCl)C=CC=C1 72272 [2,0,0,0,0,0|2,0,0]=4 40 B13R1.89 CCC1=C(C(=O)C(C)C)C=CC=C1 N13977 [1,1,0,0,0,0|2,0,0]=4 41 B13R1.89 COC1=C(C(=O)C(C)C)C=CC=C1 N13989 [1,1,0,0,0,0|2,0,0]=4 42 B13R1.107 COC(=O)C1=C(C=O)C(O)=CC=C1 AT18068 [1,1,0,0,0,0|2,0,0]=4 43 B13R1.107 COC(=O)C1=CC=CC(Br)=C1C#N C10057 [1,1,0,0,0,0|2,0,0]=4 44 B13R1.107 COC(=O)C1=CC=CC(I)=C1CBr AT18696 [1,1,0,0,0,0|2,0,0]=4 45 B13R1.382 COC(=O)C1=C(CCN)C=CC=C1 34926 [1,1,0,0,0,0|1,0,0]=3 46 B13R1.464 CCCC(=O)C1=C(CC)C=CC=C1 N13975 [1,1,0,0,0,0|2,0,0]=4 47 B13R1.464 CCCC(=O)C1=C(OC)C=CC=C1 N13987 [1,1,0,0,0,0|2,0,0]=4 48 B13R1.464 CCOC(=O)C1=C(C=O)C=CC=C1 C74750 [1,1,0,0,0,0|2,0,0]=4 49 B13R1.2065 CCC1=C(C(=O)OC)C=CC(F)=C1 E72108 [1,1,0,0,0,0|1,0,0]=3 50 B13R1.2065 CNC1=CC(Cl)=NC=C1C(=O)OC AT20081 [1,1,0,0,0,0|1,0,0]=3 51 B13R1.2065 COC(=O)C1=C(CCl)C=C(Br)C=C1 AT18695 [1,1,0,0,0,0|2,0,0]=4 52 B13R1.2065 COC(=O)C1=C(OC)N=C(C)C=C1 AC9086 [1,1,0,0,0,0|2,0,0]=4 53 B13R1.2065 COC(=O)C1=CN=C(Br)C=C1OC C91419 [1,1,0,0,0,0|2,0,0]=4 54 B13R1.2209 COC(=O)C1=C(OC)C=NC(N)=C1 97632 [1,1,0,0,0,0|2,0,0]=4 55 B13R1.2209 COC(=O)C1=C(SC)C=CC(Br)=C1 93491 [1,1,0,0,0,0|1,0,0]=3 56 B13R1.2209 COC(=O)C1=CC(Br)=NC=C1OC 97631 [1,1,0,0,0,0|2,0,0]=4 57 B13R1.2209 COC(=O)C1=CC(F)=CN=C1OC 85044 [1,1,0,0,0,0|2,0,0]=4 58 B13R1.2357 COC(=O)C1=C(OC)N=CC=C1C 91447 [1,1,0,0,0,0|2,0,0]=4 59 B13R1.165 CN(C)C1=C(C(=O)O)C=C(N)C=C1 34913 [1,1,0,0,0,0|0,0,0]=2 60 B13R1.295 CN(C)C1=C(Cl)C=CC=C1[N+](=O)[O-] V10302 [1,1,0,0,0,0|1,0,1]=4 61 B13R1.295 CN(C)C1=C(F)C=CC=C1[N+](=O)[O-] V10309 [1,1,0,0,0,0|1,0,1]=4 62 B15R1.925 COC(=O)C1=C(OC(C)C)C=CC(N)=C1 C91498 [0,1,0,0,0,1|1,0,0]=3 63 B15R1.3847 COC(=O)C1=C(NC(=O)CBr)C=CC=C1 71402 [0,1,0,0,0,1|2,0,0]=4 64 B15R1.38499 COC(=O)C1=C(NC(C)=O)C(C)=CC=C1 F18181 [0,1,0,0,0,1|2,0,0]=4 65 B15R1.10569 CCOC(=O)C1=CN=C(Cl)C=C1N(C)C W10822 [0,2,0,0,0,0|1,0,0]=3 66 B15R1.38509 COC(=O)C1=C(C(=O)OC)C(C)=CC=C1 F18292 [0,2,0,0,0,0|2,0,0]=4 67 B13R2.32 C[C@H]1COC2=C(C=CC=C2)C1=O N13022 [1,0,0,1,0,0|2,0,0]=4 68 B13R2.371 CN1C=CC(=O)C2=C1C=CC=C2 D86440 [1,0,0,1,0,0|1,0,1]=4 69 B13R2.371 CN1CCC(=O)C2=C1C=CC=C2 93242 [1,0,0,1,0,0|1,0,0]=3 70 B13R2.5514 CN(C)C1=C(C2CC2)C=CC=C1 AC9575 [1,0,0,1,0,0|1,0,1]=4 71 B13R2.12159 CC1(C)OC(=O)C2=C1C=CC=C2 A10944 [1,0,0,1,0,0|1,0,0]=3 72 B15R2.19309 COC(=O)C1=C2C=C(C)NC2=CC=C1 P15506 [0,0,0,1,0,1|2,0,0]=4 73 B15R2.19309 COC(=O)C1=C2OC(C)=CC2=CC=C1 C91345 [0,0,0,1,0,1|1,0,1]=4 74 B15R2.19309 COC(=O)C1=C2OC(C)=NC2=CC=C1 D86283 [0,0,0,1,0,1|2,0,0]=4 75 B15R2.65988 CC1(C)CCNC(=O)C2=C1C=CC=C2 59797 [0,1,0,1,0,0|2,0,0]=4 76 B15R2.7494 CC1(C)CCC(=O)C2=C1C=CC(F)=C2 N15491 [0,1,0,1,0,0|2,0,0]=4 77 B15R2.7494 CC1(C)CCC(=O)C2=C1C=CC(O)=C2 N15494 [0,1,0,1,0,0|2,0,0]=4 78 B15R2.7494 CC1=CC2=C(C=C1)C(C)(C)CCC2=O N15493 [0,1,0,1,0,0|2,0,0]=4 79 B15R2.1605 COC(=O)C1=C(C2(N)CC2)C=CC=C1 95035 [0,1,0,1,0,0|1,0,0]=3 80 B15R2.19310 COC(=O)C1=C2C(=CC=C1)C=CN2C AC4662 [0,1,0,1,0,0|0,0,1]=3 81 B15R2.19310 COC(=O)C1=C2C(=O)CCC2=CC=C1 F52782 [0,1,0,1,0,0|2,0,0]=4 82 B15R2.19310 COC(=O)C1=C2C(=O)NCC2=CC=C1 F13612 [0,1,0,1,0,0|2,0,0]=4 83 B15R2.13622 CC1(C)CNC(=O)C2=CC=CC(Br)=C21 F52258 [0,1,0,1,0,0|2,0,0]=4 84 B15R2.78175 COC(=O)C1=C(Cl)C=CC=C1C2CC2 C93121 [0,1,0,1,0,0|1,0,0]=3 85 B15R3.16679 O=C1NCC2(CC2)C3=C1C=CC=C3 93014 [0,0,0,2,0,0|2,0,0]=4 86 B11R1.59 CCC1=C(C(=O)OC)C=CN1 F17904 [1,0,0,0,1,0|2,0,0]=4 87 B11R1.178 CC(C)C1=C(C(=O)O)C=CO1 AT17510 [1,0,0,0,1,0|2,0,0]=4 88 B11R1.178 CC(C)C1=C(C(=O)O)OC=C1 AT17168 [1,0,0,0,1,0|2,0,0]=4 89 B11R1.178 CC(C)C1=C(C(=O)O)SC=C1 AT16418 [1,0,0,0,1,0|2,0,0]=4 90 B13R1.91 CCC(=O)CC1=C(OC)C=CC=C1 N14171 [1,0,0,0,0,1|2,0,0]=4 91 B13R1.91 COC(=O)CC1=C(CBr)C=CC=C1 AC9687 [1,0,0,0,0,1|2,0,0]=4 92 B13R1.91 COC(=O)CC1=C(CO)C=CC=C1 N13290 [1,0,0,0,0,1|2,0,0]=4 93 B13R1.91 COC(=O)CC1=NC=CC=C1OC 82614 [1,0,0,0,0,1|2,0,0]=4 94 B13R1.543 COC(=O)C1=CC([C@H](C)N)=CC=C1 20350 [0,0,0,0,1,1|2,0,0]=4 95 B13R1.543 COC(=O)C1=CC([C@H](C)N)=CC=C1 F16989 [0,0,0,0,1,1|2,0,0]=4 96 B13R1.543 COC(=O)C1=CC([C@H](C)N)=CC=C1 F53301 [0,0,0,0,1,1|2,0,0]=4 97 B13R1.543 COC(=O)C1=CC([C@H](C)O)=CC=C1 AC7054 [0,0,0,0,1,1|2,0,0]=4 98 B13R1.543 COC(=O)C1=NC(N(C)C)=CC=C1 F13913 [0,0,0,0,1,1|0,0,0]=2 99 B13R1.543 COC(=O)C1=NC(N(C)C)=NC=C1 C16682 [0,0,0,0,1,1|1,0,0]=3 100 B15R1.3845 CNC(=O)OC1=C(OC(C)C)C=CC=C1 O10810 [0,0,0,0,0,2|2,0,0]=4