0 B12R1.34 NC(C(=O)NO)C1=CC=CC=C1 8279AC [0,0,0,0,0,0|3,0,1]=4 1 B11R1.16 C#CCC(O)C1=CN=CC=C1 9542AH [1,0,0,0,0,0|2,0,1]=4 2 B11R1.16 C=CCC(O)C1=CC=CC=C1 4955AL [1,0,0,0,0,0|1,0,1]=3 3 B11R1.16 C=CC[C@@H](N)C1=CC=CC=C1 1033AL [1,0,0,0,0,0|2,0,1]=4 4 B11R1.16 CCCC(N)C1=CC=NC=C1 4969AJ [1,0,0,0,0,0|3,0,0]=4 5 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 2792AC [1,0,0,0,0,0|3,0,0]=4 6 B11R1.36 CC(C)C(C)C1=CC=CC=C1 3972AL [1,0,0,0,0,0|1,0,0]=2 7 B11R1.36 CC(C)[C@@H](N)C1=NC=CC=C1 8355AH [1,0,0,0,0,0|2,0,0]=3 8 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 W7886 [1,0,0,0,0,0|1,0,0]=2 9 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 8402AH [1,0,0,0,0,0|2,0,0]=3 10 B11R1.36 CC(C1=CC=CC=C1)C(F)F 8474AB [1,0,0,0,0,0|3,0,0]=4 11 B11R1.40 CNC(C)CC1=NC=CN=C1 3718AF [1,0,0,0,0,0|2,0,0]=3 12 B13R1.21 NC1=CC=C(C(O)C(O)CO)C=C1 8289AE [0,1,0,0,0,0|3,0,0]=4 13 B13R1.22 COC(=O)[C@@H](O)C1=CC(Cl)=CC=C1 3582AB [0,1,0,0,0,0|2,0,1]=4 14 B13R1.263 CC(C)(CO)[C@@H](N)C1=CC=CC=C1 4914AD [0,1,0,0,0,0|3,0,0]=4 15 B13R1.263 CC(C)(CO)[C@H](N)C1=CC=CC=C1 0345AF [0,1,0,0,0,0|3,0,0]=4 16 B13R1.263 CCC(C)(C)C(=O)C1=CC=CC=C1 0243AF [0,1,0,0,0,0|1,0,2]=4 17 B13R2.15 CC1CCNC1C2=CC=CC=C2 7421AB [0,0,0,1,0,0|2,0,0]=3 18 B13R2.32 NC1C(=O)NCC2=CC=CC=C21 0738AB [0,0,0,1,0,0|2,0,1]=4 19 B13R2.32 N[C@@H]1C2=CC=CC=C2CC[C@H]1O 6015AA [0,0,0,1,0,0|3,0,0]=4 20 B10R1.15 C[C@@H](NO)C1=CC=CC=C1 1195AL [2,0,0,0,0,0|2,0,0]=4 21 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 2803AB [2,0,0,0,0,0|0,0,2]=4 22 B10R1.15 NCC(O)C1=CC=CC=C1 3929AE [2,0,0,0,0,0|0,0,0]=2 23 B10R1.15 NCC(O)C1=CC=NC=C1 1456AJ [2,0,0,0,0,0|1,0,0]=3 24 B10R1.15 NC[C@@H](F)C1=CC=CC=C1 0407AQ [2,0,0,0,0,0|1,0,0]=3 25 B10R1.17 COCOC1=CC=CC=C1 0189AF [2,0,0,0,0,0|2,0,0]=4 26 B10R1.18 CC(O)CC1=CC=CC=N1 5034AE [2,0,0,0,0,0|2,0,0]=4 27 B12R1.16 CCC[C@H](N)C1=CC=C(F)C=C1 W5405 [1,1,0,0,0,0|2,0,0]=4 28 B12R1.107 O=[N+]([O-])CC(O)C1=CC=CC=C1 5089AD [1,1,0,0,0,0|1,0,1]=4 29 B12R1.20 CC(C)[C@H](N)C1=CC=C(F)C=C1 3802AA [1,1,0,0,0,0|1,0,0]=3 30 B12R1.478 NC(=O)C(CO)C1=CC=CC=C1 9779AF [1,1,0,0,0,0|1,0,1]=4 31 B12R2.2 C1=CC=C(C2CCCC2)C=C1 0857AC [1,0,0,1,0,0|2,0,0]=4 32 B12R2.2 C1=CC=C(C2CCCO2)C=C1 Y7711 [1,0,0,1,0,0|1,0,0]=3 33 B12R2.2 C1=CC=C(C2CCNC2)N=C1 7524AA [1,0,0,1,0,0|2,0,0]=4 34 B12R2.2 C1=CC=C(C2CCOC2)C=C1 Y7773 [1,0,0,1,0,0|2,0,0]=4 35 B12R2.116 NC1(C2=CC=CC=C2)COC1 X3454 [1,0,0,1,0,0|2,0,0]=4 36 B12R2.1081 CC1CNCC2=C1C=CC=C2 8753AC [1,0,0,1,0,0|1,0,0]=3 37 B12R2.1081 NC1CSCC2=CC=CC=C21 X9564 [1,0,0,1,0,0|2,0,0]=4 38 B12R2.1081 O=C1CNCC2=C1C=CC=C2 1369AJ [1,0,0,1,0,0|0,0,2]=4 39 B12R2.1081 OC1CCCC2=C1N=CC=C2 6497AJ [1,0,0,1,0,0|2,0,0]=4 40 B12R2.1081 OC1CCNC2=CC=CC=C21 1767AB [1,0,0,1,0,0|2,0,0]=4 41 B12R2.1081 OC1CNCC2=C1C=CC=C2 9573AH [1,0,0,1,0,0|0,0,0]=2 42 B12R2.2028 OC1CC(O)C2=C1C=CC=C2 6524AE [1,0,0,1,0,0|2,0,0]=4 43 B12R2.2075 N[C@@H](C1=CC=CC=C1)C2CC2 W6276 [1,0,0,1,0,0|2,0,0]=4 44 B12R2.2075 N[C@H](C1=CC=CC=C1)C2CC2 9257AH [1,0,0,1,0,0|2,0,0]=4 45 B12R2.18 NC1CC2=CC=CC=C2C1O 3933AD [1,0,0,1,0,0|0,0,0]=2 46 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1N 1058AB [1,0,0,1,0,0|1,0,0]=3 47 B12R2.24 CN1CCC2=C(C=CC=C2)C1 7528AB [1,0,0,1,0,0|2,0,0]=4 48 B12R2.32 CNC1CC2=CC=CC=C2C1 8229AD [1,0,0,1,0,0|0,0,0]=2 49 B12R2.32 NCC1CC2=C(C=CC=C2)C1 1347AJ [1,0,0,1,0,0|2,0,0]=4 50 B14R2.21 OC1CCOC(C2=CC=CC=C2)C1 2699AC [0,0,0,1,0,1|2,0,0]=4 51 B14R2.21 O[C@@H]1CCO[C@@H](C2=CC=CC=C2)C1 9802AA [0,0,0,1,0,1|2,0,0]=4 52 B14R2.114 O=C(C1=CC=CC=C1)C2CCNC2 2435AB [0,1,0,1,0,0|0,0,2]=4 53 B12R1.27 C[C@@H](C=O)OCC1=CC=CC=C1 9118AH [1,0,0,0,0,1|2,0,0]=4