0 B12R1.107 CC(CC(=O)O)C1=CC=NC=C1 1858AE [0,0,0,0,0,0|3,0,0]=3 1 B12R1.107 CC(CC(=O)O)C1=NC=CC=C1 3137AF [0,0,0,0,0,0|3,0,0]=3 2 B12R1.107 CC(N)CN(C)C1=CC=CC=C1 8862AJ [0,0,0,0,0,0|3,0,1]=4 3 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 Z5791 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.107 C\C(=C/[N+](=O)[O-])C1=CC=CC=C1 7929AA [0,0,0,0,0,0|3,0,1]=4 5 B12R1.107 NC(CC(=O)O)C1=NC=CC=C1 7438AA [0,0,0,0,0,0|4,0,0]=4 6 B12R1.107 O=[N+]([O-])CC(O)C1=CC=CC=C1 5089AD [0,0,0,0,0,0|4,0,0]=4 7 B11R1.16 C=CCC(O)C1=CC=CC=C1 4955AL [1,0,0,0,0,0|2,0,1]=4 8 B11R1.16 C=CC[C@@H](N)C1=CC=CC=C1 1033AL [1,0,0,0,0,0|2,0,1]=4 9 B11R1.91 CC(=N)SCC1=CC=CC=C1 3158AL [1,0,0,0,0,0|1,1,0]=3 10 B11R1.91 CC(=O)SCC1=CC=CN=C1 Z2639 [1,0,0,0,0,0|1,1,0]=3 11 B11R1.91 CC(=O)SCC1=NC=CC=C1 Z3404 [1,0,0,0,0,0|1,1,0]=3 12 B11R1.91 CC(=O)\N=N\C1=CC=CC=C1 3867AD [1,0,0,0,0,0|2,0,0]=3 13 B11R1.91 NC(=O)CCC1=CC=CN=C1 5646AJ [1,0,0,0,0,0|3,0,0]=4 14 B11R1.91 NC(=O)CCC1=CC=NC=C1 5669AJ [1,0,0,0,0,0|3,0,0]=4 15 B13R1.132 C=C(NC(C)=O)C1=CC=C(Br)C=C1 Z3273 [0,1,0,0,0,0|1,0,2]=4 16 B13R1.713 CNC(CN(C)C)C1=CC=CC=C1 1347AL [0,1,0,0,0,0|3,0,0]=4 17 B13R2.10 CC1=NC=C(C2=CC=CC=C2)O1 2130AL [0,0,0,1,0,0|1,0,2]=4 18 B13R2.10 O=C1CC[C@@H](C2=CC=CC=C2)C1 4156AL [0,0,0,1,0,0|1,0,0]=2 19 B13R2.10 O=C1C[C@H](C2=CC=CC=C2)CN1 1224AL [0,0,0,1,0,0|2,0,0]=3 20 B13R2.328 CC1NC(=O)NC2=CC=CC=C21 2878AJ [0,0,0,1,0,0|2,0,0]=3 21 B13R2.423 O=C(O)C1OC1C2=CC=CC=C2 5809AE [0,0,0,1,0,0|3,0,0]=4 22 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 4214AB [0,0,0,1,0,0|2,0,0]=3 23 B13R2.12159 CC1NS(=O)(=O)C2=C1C=CC=C2 5330AJ [0,0,0,1,0,0|3,0,0]=4 24 B11R1.36 CC(=O)N(C)C1=NC=CC=C1 1819AL [0,0,0,0,1,0|2,0,0]=3 25 B11R1.36 CC(=O)N(Cl)C1=CC=CC=C1 8525AL [0,0,0,0,1,0|2,0,0]=3 26 B11R1.36 CC(C)C(C)C1=CC=CC=C1 3972AL [0,0,0,0,1,0|1,0,1]=3 27 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 W7886 [0,0,0,0,1,0|2,0,1]=4 28 B11R1.36 CC(C1=CC=CC=C1)C(F)F 8474AB [0,0,0,0,1,0|2,0,1]=4 29 B11R1.36 NC(C(=O)O)C1=CC=NC=C1 Z5914 [0,0,0,0,1,0|3,0,0]=4 30 B11R1.36 O=C(Cl)C(Cl)C1=CC=CC=C1 8039AF [0,0,0,0,1,0|2,0,0]=3 31 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 0351AB [0,0,0,0,0,1|3,0,0]=4 32 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 3822AB [0,0,0,0,0,1|2,0,1]=4 33 B13R1.348 CC(=O)OC(C)CC1=CC=CC=C1 4902AL [0,0,0,0,0,1|0,0,0]=1 34 B13R1.348 C\C(=C/C1=CC=CC=C1)CC(N)=O 5994AL [0,0,0,0,0,1|2,0,1]=4 35 B10R1.15 C[C@@H](NO)C1=CC=CC=C1 1195AL [2,0,0,0,0,0|1,0,1]=4 36 B10R1.15 O=CC(Br)C1=CC=CC=C1 8662AA [2,0,0,0,0,0|1,0,0]=3 37 B12R1.21 CC(=O)CCC1=CC=C(Br)C=C1 2246AF [1,1,0,0,0,0|1,0,0]=3 38 B12R1.21 CC(=O)NCC1=CC=C(N)C=C1 N540 [1,1,0,0,0,0|1,0,0]=3 39 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 6555AL [1,1,0,0,0,0|2,0,0]=4 40 B12R1.27 C[C@@H](C=O)OCC1=CC=CC=C1 9118AH [1,1,0,0,0,0|0,0,1]=3 41 B12R1.226 CC(=O)CCC1=CC(Br)=CC=C1 1144AE [1,1,0,0,0,0|1,0,0]=3 42 B12R1.226 CC(=O)\C=C\C1=CC=CC(Br)=C1 V7132 [1,1,0,0,0,0|1,0,1]=4 43 B12R1.20 CC(=O)C(Cl)C1=CC=C(F)C=C1 1523AB [0,1,0,0,1,0|1,0,0]=3 44 B12R1.20 CC(C(=O)O)C1=CC=C(N)C=C1 8848AB [0,1,0,0,1,0|1,0,0]=3 45 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(I)C=C1 2119AB [0,1,0,0,1,0|2,0,0]=4 46 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Br)C=C1 3070AC [0,1,0,0,1,0|2,0,0]=4 47 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(Br)C=C1 2744AD [0,1,0,0,1,0|2,0,0]=4 48 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Br)C=C1 0174AE [0,1,0,0,1,0|2,0,0]=4 49 B12R1.124 CC(=O)C(=O)C1=C(Cl)C=CC=C1 9878AB [0,1,0,0,1,0|1,0,1]=4 50 B12R1.225 CC1=CC=CC([C@@H](C)C(=O)O)=C1 8975AH [0,1,0,0,1,0|1,0,0]=3 51 B12R1.225 NC(C(=O)O)C1=CC=CC(Cl)=C1 5418AJ [0,1,0,0,1,0|2,0,0]=4 52 B12R1.225 O=C(O)[C@@H](O)C1=CC(Cl)=CC=C1 3581AB [0,1,0,0,1,0|2,0,0]=4 53 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=N1 7763AC [0,1,0,0,1,0|2,0,0]=4 54 B12R1.253 CC(C)(C(=O)O)C1=CC=CN=C1 5455AD [0,1,0,0,1,0|2,0,0]=4 55 B12R1.478 NC(=O)C(CO)C1=CC=CC=C1 9779AF [0,1,0,0,1,0|1,0,0]=3 56 B12R1.478 NC[C@@H](C(=O)O)C1=CC=CC=C1 1587AA [0,1,0,0,1,0|1,0,0]=3 57 B14R1.425 C[C@@H](SC1=CC=CC=C1)[C@@H](N)C(=O)O 4754AA [0,1,0,0,0,1|2,0,0]=4 58 B14R1.743 COC(=O)CC(N)CC1=CC=CC=C1 TMBA027 [0,1,0,0,0,1|2,0,0]=4 59 B14R1.11 COC(=O)CC(C)C1=CC=CC(O)=C1 6981AJ [0,2,0,0,0,0|1,0,0]=3 60 B14R1.11 COC(=O)CC(O)C1=CC=CC(O)=C1 7035AJ [0,2,0,0,0,0|2,0,0]=4 61 B14R1.29 CCOC(=O)N[C@@H](C)C1=CC=CC=C1 6626AJ [0,2,0,0,0,0|1,0,0]=3 62 B14R1.1019 NC[C@@H](CC(=O)O)C1=CC=C(F)C=C1 1620AC [0,2,0,0,0,0|2,0,0]=4 63 B14R1.1019 NC[C@H](CC(=O)O)C1=CC=C(F)C=C1 1505AC [0,2,0,0,0,0|2,0,0]=4 64 B12R2.2 C1=CC=C(C2CCCC2)C=C1 0857AC [1,0,0,1,0,0|1,0,1]=4 65 B12R2.2 C1=CC=C(C2CCCO2)C=C1 Y7711 [1,0,0,1,0,0|0,0,1]=3 66 B12R2.2 C1=CC=C(C2CCOC2)C=C1 Y7773 [1,0,0,1,0,0|2,0,0]=4 67 B12R2.27 O=CC1CC1C2=CC=CC=C2 0304AC [1,0,0,1,0,0|1,0,0]=3 68 B12R2.27 O=CC1CC1C2=CC=NC=C2 W9659 [1,0,0,1,0,0|2,0,0]=4 69 B12R2.1081 CC1CNCC2=C1C=CC=C2 8753AC [1,0,0,1,0,0|2,0,0]=4 70 B12R2.2028 NC1CC(=O)C2=CC=CC=C21 4741AD [1,0,0,1,0,0|2,0,0]=4 71 B12R2.2403 C[Si]1(C)OCC2=CC=CC=C21 AMTSi121 [1,0,0,1,0,0|1,1,0]=4 72 B12R2.3190 O=C(O)C1CC2=C1C=CC=C2 K945 [1,0,0,1,0,0|2,0,0]=4 73 B12R2.18 O=C1OC2=CC=CC=C2C1Br 0372AQ [0,0,0,1,1,0|2,0,0]=4 74 B14R2.68 O=C1CCN(C2=CC=CC=C2)CC1 9636AB [0,0,0,1,0,1|2,0,0]=4 75 B14R2.68 O=C1CNC(C2=CC=CC=C2)CO1 6251AA [0,0,0,1,0,1|1,0,0]=3 76 B14R2.68 O=C1CN[C@H](C2=CC=CC=C2)CO1 3780AA [0,0,0,1,0,1|1,0,0]=3 77 B14R2.68 O=C1COC(C2=CC=CC=C2)CN1 B162 [0,0,0,1,0,1|1,0,0]=3 78 B14R2.21 O=C1CC(C2=CC=CC=C2)CCN1 2690AC [0,1,0,1,0,0|1,0,0]=3 79 B14R2.21 O=C1CCCC(C2=CC=CC=N2)C1 8705AC [0,1,0,1,0,0|2,0,0]=4 80 B14R2.21 O=C1CCNC(C2=CC=CC=C2)C1 0012AB [0,1,0,1,0,0|1,0,0]=3 81 B14R2.21 O=C1COCC(C2=CC=CC=C2)N1 3436AA [0,1,0,1,0,0|1,0,0]=3 82 B14R2.20 NC1=NCC(C2=CC=C(Br)C=C2)O1 7352AC [0,1,0,1,0,0|2,0,0]=4 83 B14R2.22 O=C1CC(C2=CC=CC(Br)=C2)CN1 X8946 [0,1,0,1,0,0|2,0,0]=4 84 B14R2.4476 O=C(O)C1CC1C2=CC(F)=CC=C2 1104AJ [0,1,0,1,0,0|2,0,0]=4 85 B14R2.450 CC(=O)C1=CC2=C(C=CC=C2)N1C 1366AL [0,1,0,1,0,0|2,0,0]=4 86 B14R2.4514 CN1C(=O)CCC1C2=CC=CN=C2 Z7799 [0,1,0,1,0,0|2,0,0]=4 87 B14R2.2 CC(=O)OC1CCC2=C1C=CC=C2 4739AL [0,1,0,1,0,0|0,0,0]=2 88 B14R2.256 O=C1CC(C2=CC=CC=C2Cl)CN1 X5680 [0,1,0,1,0,0|2,0,0]=4 89 B10R1.18 C=C(C)CC1=NC=CC=C1 3662AF [1,0,0,0,1,0|2,0,0]=4 90 B10R1.18 CC(=O)CC1=CN=CC=C1 4586AH [1,0,0,0,1,0|1,0,0]=3 91 B10R1.18 O=C([O-])CC1=NC=CC=C1 0459AC [1,0,0,0,1,0|2,0,0]=4 92 B12R1.252 CC(C)=CCSC1=CC=CC=C1 1107AL [1,0,0,0,0,1|2,0,0]=4 93 B14R1.420 C\C(=N\OCC(=O)O)C1=CC=CC=C1 Y7240 [0,0,0,0,0,2|1,0,1]=4