0 B14R1.818 CC(C)CC(=O)OCC1=CC=CC=C1 5996AF [0,0,0,0,0,0|1,0,1]=2 1 B14R1.818 N[C@@H](CCC1=CC=CC=C1)CC(=O)O 1323AL [0,0,0,0,0,0|3,0,1]=4 2 B14R1.818 N[C@H](CCC1=CC=CC=C1)CC(=O)O Z5654 [0,0,0,0,0,0|3,0,1]=4 3 B13R1.42 C=CNC(=O)OCC1=CC=CC=C1 3024AC [1,0,0,0,0,0|1,0,1]=3 4 B13R1.42 CNCC(=O)OCC1=CC=CC=C1 7563AH [1,0,0,0,0,0|1,0,0]=2 5 B13R1.42 N#CCC(=O)NCC1=CC=CC=C1 7948AC [1,0,0,0,0,0|2,0,1]=4 6 B13R1.337 CC(C)CCOCC1=CC=CC=C1 6005AF [1,0,0,0,0,0|1,0,2]=4 7 B13R1.337 O=C(O)CCSCC1=CC=CC=C1 9239AD [1,0,0,0,0,0|1,1,1]=4 8 B15R1.741 CC(CO)NC(=O)OCC1=CC=CC=C1 3843AJ [0,1,0,0,0,0|1,0,2]=4 9 B15R1.741 COC(=O)CC(C)NCC1=CC=CC=C1 3537AL [0,1,0,0,0,0|2,0,1]=4 10 B15R1.741 C[C@H](CO)NC(=O)OCC1=CC=CC=C1 9213AB [0,1,0,0,0,0|1,0,2]=4 11 B15R1.3678 C[C@@H](O)[C@@H](N)C(=O)OCC1=CC=CC=C1 6655AH [0,1,0,0,0,0|0,0,2]=3 12 B15R1.3678 C[C@@H](O)[C@H](N)C(=O)OCC1=CC=CC=C1 3950AB [0,1,0,0,0,0|0,0,2]=3 13 B15R1.3678 C[C@@H](OCC1=CC=CC=C1)[C@H](N)C(=O)O 6036AB [0,1,0,0,0,0|2,0,1]=4 14 B15R1.3678 C[C@@H](OCC1=CC=CC=C1)[C@H](N)C(=O)O Z4934 [0,1,0,0,0,0|2,0,1]=4 15 B15R1.3678 C[C@H](OCC1=CC=CC=C1)[C@@H](N)C(=O)O V8157 [0,1,0,0,0,0|2,0,1]=4 16 B15R2.325 NC1CC(=O)N(CC2=CC=CC=C2)C1 4682AB [0,0,0,1,0,0|2,0,1]=4 17 B15R2.325 NC1CC(=O)N(CC2=CC=CC=C2)C1 6553AB [0,0,0,1,0,0|2,0,1]=4 18 B15R2.325 O=C1NC(CC2=CC=CC=C2)C(=O)O1 6097AJ [0,0,0,1,0,0|3,0,0]=4 19 B13R1.348 CC(C)CC(=O)CC1=CC=CC=C1 U405 [0,0,0,0,1,0|1,0,1]=3 20 B13R1.348 CN(CC(=O)O)CC1=CC=CC=C1 1874AE [0,0,0,0,1,0|3,0,0]=4 21 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 E678 [0,0,0,0,1,0|2,0,1]=4 22 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 X5029 [0,0,0,0,1,0|2,0,1]=4 23 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 2303AB [0,0,0,0,1,0|2,0,1]=4 24 B13R1.351 CC(N)C(=O)NCC1=CC=CC=C1 1188AD [0,0,0,0,1,0|2,0,1]=4 25 B13R1.351 CN(N)C(=O)OCC1=CC=CC=C1 4803AB [0,0,0,0,1,0|2,0,0]=3 26 B13R1.351 C[C@@H](N)C(=O)OCC1=CC=CC=C1 E972 [0,0,0,0,1,0|1,0,1]=3 27 B13R1.351 C[C@H](O)C(=O)OCC1=CC=CC=C1 4188AL [0,0,0,0,1,0|0,0,2]=3 28 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O 2966AH [0,0,0,0,1,0|2,0,1]=4 29 B13R1.351 O=C(OCC1=CC=CC=C1)C(F)Cl 8202AD [0,0,0,0,1,0|2,0,1]=4 30 B15R1.5919 CC(=O)ONC(=O)OCC1=CC=CC=C1 8698AL [0,0,0,0,0,1|1,0,0]=2 31 B15R1.5919 NC(=S)CNC(=O)OCC1=CC=CC=C1 4262AE [0,0,0,0,0,1|1,1,0]=3 32 B15R1.5919 O=C(O)\C=C/C(=O)NCC1=CC=CC=C1 3708AL [0,0,0,0,0,1|2,0,1]=4 33 B12R1.8 CCCCOCC1=CC=CC=C1 7140AL [2,0,0,0,0,0|0,0,2]=4 34 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 2113AB [2,0,0,0,0,0|2,0,0]=4 35 B12R1.27 O=C(CO)OCC1=CC=CC=C1 3173AB [2,0,0,0,0,0|0,0,1]=3 36 B14R1.156 C#CCNC(=O)OCC1=CC=CC=C1 3559AA [1,1,0,0,0,0|0,0,2]=4 37 B14R1.156 NCCNC(=O)OCC1=CC=CC=C1 Y9906 [1,1,0,0,0,0|1,0,1]=4 38 B14R1.756 NC(CO)C(=O)OCC1=CC=CC=C1 6645AH [1,1,0,0,0,0|0,0,2]=4 39 B14R1.716 COC(=O)CCCCC1=CC=CC=C1 6816AL [1,1,0,0,0,0|1,0,1]=4 40 B14R1.716 COC(=O)CCNCC1=CC=CC=C1 7972AD [1,1,0,0,0,0|1,0,1]=4 41 B14R1.6449 N[C@H](COCC1=CC=CC=C1)C(=O)O Z6737 [1,1,0,0,0,0|1,0,1]=4 42 B14R1.698 CC(=O)CC(=O)NC1=CC=C(Br)C=C1 4974AB [0,1,0,0,1,0|1,0,0]=3 43 B14R1.3099 CC(C)(O)C(=O)OCC1=CC=CC=C1 6533AJ [0,1,0,0,1,0|0,0,2]=4 44 B16R1.1284 NC(=O)CNC(=O)[C@@H](N)CC1=CC=CC=C1 7219AH [0,1,0,0,0,1|2,0,0]=4 45 B16R1.1284 N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)O 7220AH [0,1,0,0,0,1|2,0,0]=4 46 B16R1.1343 NCC(=O)NCC(=O)OCC1=CC=CC=C1 8980AA [0,1,0,0,0,1|0,0,0]=2 47 B16R1.4122 C=C(NC(=O)OCC1=CC=CC=C1)C(=O)O 7881AH [0,1,0,0,0,1|1,0,1]=4 48 B16R1.4122 C[C@H](NC(=O)OCC1=CC=CC=C1)C(N)=O Z9568 [0,1,0,0,0,1|1,0,0]=3 49 B16R1.4122 NC(=O)[C@@H](N)CC(=O)OCC1=CC=CC=C1 V4135 [0,1,0,0,0,1|1,0,0]=3 50 B16R1.4122 N[C@H](CC(=O)OCC1=CC=CC=C1)C(=O)O X5805 [0,1,0,0,0,1|1,0,0]=3 51 B16R1.4122 O=C(NC(O)C(=O)O)OCC1=CC=CC=C1 W7015 [0,1,0,0,0,1|1,0,0]=3 52 B16R1.6944 CC(C)CC(N)C(=O)OCC1=CC=CC=C1 7110AH [0,1,0,0,0,1|1,0,1]=4 53 B16R1.6944 CC(C)C[C@H](N)C(=O)OCC1=CC=CC=C1 1877AB [0,1,0,0,0,1|1,0,1]=4 54 B16R1.6944 N[C@@H](CC(=O)O)C(=O)OCC1=CC=CC=C1 V1202 [0,1,0,0,0,1|1,0,0]=3 55 B16R1.6944 N[C@H](CC(=O)O)C(=O)OCC1=CC=CC=C1 V1204 [0,1,0,0,0,1|1,0,0]=3 56 B16R1.1570 CCOC(=O)CC(=O)NCC1=CC=CC=C1 5816AL [0,2,0,0,0,0|1,0,0]=3 57 B16R1.1672 CC[C@H](C)[C@H](N)C(=O)OCC1=CC=CC=C1 E205 [0,2,0,0,0,0|1,0,1]=4 58 B14R2.21 O=C1CCCC(C2=CC=CC=C2)C1 V4265 [1,0,0,1,0,0|1,0,1]=4 59 B14R2.21 O=C1CCC[C@@H](C2=CC=CC=C2)C1 4282AB [1,0,0,1,0,0|1,0,1]=4 60 B14R2.21 O=C1CCC[C@H](C2=CC=CC=C2)C1 8428AB [1,0,0,1,0,0|1,0,1]=4 61 B14R2.436 O=C1CC(OCC2=CC=CC=C2)C1 W5309 [1,0,0,1,0,0|1,0,1]=4 62 B14R2.598 C[C@H]1NC(=O)O[C@H]1C2=CC=CC=C2 2222AC [1,0,0,1,0,0|1,0,1]=4 63 B14R2.2 CC(=O)CC1=CNC2=C1C=CC=C2 D139 [1,0,0,1,0,0|2,0,0]=4 64 B14R2.249 O=C1CC(=O)CC(C2=CC=CO2)C1 5927AD [0,0,0,1,1,0|2,0,0]=4 65 B16R2.317 O=C1CNC(=O)[C@H](CC2=CC=CC=C2)N1 Z5576 [0,0,0,1,0,1|2,0,0]=4 66 B16R2.3322 NC1CN(C(=O)OCC2=CC=CC=C2)C1 Y7067 [0,0,0,1,0,1|1,0,1]=4 67 B16R2.3322 O=C(OCC1=CC=CC=C1)C2CC(O)C2 W6469 [0,0,0,1,0,1|0,0,2]=4 68 B16R2.3322 O=C1CC(C(=O)OCC2=CC=CC=C2)C1 W4214 [0,0,0,1,0,1|0,0,0]=2 69 B16R2.3322 O=C1CC(C(=O)OCC2=CC=CC=C2)N1 3976AC [0,0,0,1,0,1|0,0,0]=2 70 B16R2.79341 O=C1CC(=O)CC(C2=CC=C(F)C=C2)C1 8113AB [0,1,0,1,0,0|1,0,0]=3 71 B12R1.32 CCCC(=O)CC1=CC=CC=C1 U242 [1,0,0,0,1,0|0,0,1]=3 72 B12R1.252 CC(=O)COCC1=CC=CC=C1 1360AB [1,0,0,0,1,0|0,0,0]=2 73 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 X5394 [1,0,0,0,1,0|0,0,2]=4 74 B12R1.43 CC(=O)C(C)OC1=CC=CC=C1 7325AE [0,0,0,0,2,0|1,0,1]=4 75 B12R1.43 CC(C)C(=O)OC1=CC=CC=C1 8092AL [0,0,0,0,2,0|1,0,1]=4 76 B12R1.43 CN(C)C(=O)CC1=CC=CC=C1 6370AD [0,0,0,0,2,0|2,0,0]=4 77 B12R1.107 CC(C)CC(=O)C1=CC=CC=C1 8629AB [0,0,0,0,2,0|1,0,1]=4 78 B12R1.264 C=C(C)C(=O)OCC1=CC=CO1 7954AL [0,0,0,0,2,0|2,0,0]=4 79 B14R1.520 CCOC(=O)COCC1=CC=CC=C1 3549AB [1,0,0,0,0,1|1,0,1]=4 80 B16R1.608 NC(=O)CCNC(=O)OCC1=CC=CC=C1 6169AH [0,0,0,0,0,2|1,0,0]=3 81 B16R1.608 O=C(O)CCCC(=O)OCC1=CC=CC=C1 5024AJ [0,0,0,0,0,2|1,0,0]=3 82 B16R1.6929 C\C(N)=C\C(=O)OC\C=C\C1=CC=CC=C1 X6116 [0,0,0,0,0,2|1,0,1]=4