0 B13R1.337 CC(C)NCCOC1=CC=CC=C1 8051AB [0,0,0,0,0,0|3,0,1]=4 1 B13R1.337 NC(=O)CCNCC1=CC=CC=C1 5292AD [0,0,0,0,0,0|3,0,0]=3 2 B13R1.337 NC(=O)CCNCC1=CC=CC=C1 9502AC [0,0,0,0,0,0|3,0,0]=3 3 B13R1.337 NC(=O)CCNCC1=CN=CC=C1 4425AF [0,0,0,0,0,0|4,0,0]=4 4 B13R1.337 O=C(O)CCCOC1=CC=CC=C1 7037AE [0,0,0,0,0,0|3,0,0]=3 5 B13R1.337 O=C(O)CCNCC1=CC=CC=C1 5293AE [0,0,0,0,0,0|3,0,0]=3 6 B12R1.8 CC#CCNCC1=CC=CC=C1 4019AE [1,0,0,0,0,0|2,0,1]=4 7 B12R1.8 CCCCCCC1=CC=NC=C1 2681AB [1,0,0,0,0,0|2,0,1]=4 8 B12R1.8 CCCCCC[N+]1=CC=CC=C1 4881AL [1,0,0,0,0,0|2,0,1]=4 9 B12R1.8 CNCCCOC1=CC=CC=C1 5970AA [1,0,0,0,0,0|3,0,0]=4 10 B12R1.8 CNCCNCC1=CC=CC=C1 3159AL [1,0,0,0,0,0|3,0,0]=4 11 B12R1.8 O=CCCOCC1=CC=CC=C1 Y8137 [1,0,0,0,0,0|2,0,0]=3 12 B14R1.148 O=C(O)CCCOC1=CC(F)=CC=C1 1224AF [0,1,0,0,0,0|3,0,0]=4 13 B14R1.159 NC(=O)CCNCC1=C(Cl)C=CC=C1 9943AE [0,1,0,0,0,0|3,0,0]=4 14 B14R1.159 O=C(O)CCCOC1=CC=CC=C1F 7701AD [0,1,0,0,0,0|3,0,0]=4 15 B14R1.677 CC(=O)NCCSC1=CC=C(O)C=C1 7452AH [0,1,0,0,0,0|2,0,0]=3 16 B14R1.677 CC(=O)OCCOC1=CC=C(Br)C=C1 AMTH095 [0,1,0,0,0,0|1,0,0]=2 17 B14R1.677 CC(=O)OCCOC1=CC=C(C)C=C1 6178AL [0,1,0,0,0,0|1,0,0]=2 18 B14R1.677 CC1=CC=C(CCCCC(=O)O)C=C1 5730AH [0,1,0,0,0,0|2,0,0]=3 19 B14R1.677 O=C(O)CCCCC1=CC=C(F)C=C1 8236AD [0,1,0,0,0,0|2,0,0]=3 20 B14R1.677 O=C(O)CCCOC1=CC=C(Br)C=C1 8115AB [0,1,0,0,0,0|3,0,0]=4 21 B14R1.716 COC(=O)CCOCC1=CC=CC=C1 5678AB [0,1,0,0,0,0|2,0,0]=3 22 B14R1.6449 C=C(C)C(=O)OCCC1=CC=CC=C1 5984AF [0,1,0,0,0,0|3,0,0]=4 23 B14R1.6449 N[C@H](CCCC1=CC=CC=C1)C(=O)O 4535AB [0,1,0,0,0,0|2,0,0]=3 24 B14R1.6449 N[C@H](CSCC1=CC=CC=C1)C(=O)O 1478AB [0,1,0,0,0,0|3,0,0]=4 25 B14R1.6449 O=C(O)C(O)COCC1=CC=CC=C1 Y7358 [0,1,0,0,0,0|3,0,0]=4 26 B14R2.2 O=C(O)CC1CNC2=C1C=CC=C2 5606AA [0,0,0,1,0,0|3,0,0]=4 27 B14R2.19 O=C1CC(CC2=CC=CC=C2)CN1 9516AD [0,0,0,1,0,0|1,0,0]=2 28 B14R2.19 O=C1CC(CC2=CC=CC=C2)CO1 2634AL [0,0,0,1,0,0|0,0,0]=1 29 B14R2.19 O=C1CCN(CC2=CC=CC=C2)N1 5959AD [0,0,0,1,0,0|3,0,0]=4 30 B14R2.19 O=C1CN(CC2=CC=CC=C2)CN1 X5131 [0,0,0,1,0,0|2,0,0]=3 31 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CO1 7199AA [0,0,0,1,0,0|1,1,0]=3 32 B14R2.21 O=C1CCCC(C2=CC=CC=C2)N1 5704AB [0,0,0,1,0,0|2,0,0]=3 33 B14R2.21 O=C1CCCC(C2=CC=CC=N2)C1 8707AC [0,0,0,1,0,0|2,0,0]=3 34 B14R2.21 O=C1CCCC(C2=CC=CC=N2)C1 8710AC [0,0,0,1,0,0|2,0,0]=3 35 B14R2.21 O=C1CCCN(C2=CC=CC=C2)C1 W3242 [0,0,0,1,0,0|2,0,0]=3 36 B14R2.21 O=C1CCC[C@@H](C2=CC=CC=C2)C1 4282AB [0,0,0,1,0,0|1,0,0]=2 37 B14R2.21 O=C1CCC[C@H](C2=CC=CC=C2)C1 8428AB [0,0,0,1,0,0|1,0,0]=2 38 B14R2.21 O=C1CCC[C@H](C2=CC=CC=C2)C1 8429AB [0,0,0,1,0,0|1,0,0]=2 39 B14R2.21 O=C1CCOC(C2=CC=CC=C2)C1 W3222 [0,0,0,1,0,0|2,0,0]=3 40 B14R2.21 O=C1COC[C@@H](C2=CC=CC=C2)N1 6503AD [0,0,0,1,0,0|3,0,0]=4 41 B14R2.21 O=C1COC[C@H](C2=CC=CC=C2)N1 8160AC [0,0,0,1,0,0|3,0,0]=4 42 B14R2.31359 O=C(O)C1CCNC2=C1C=CC=C2 5887AA [0,0,0,1,0,0|3,0,0]=4 43 B14R2.31359 O=C(O)C1CNCC2=CC=CC=C21 2660AA [0,0,0,1,0,0|3,0,0]=4 44 B14R2.31359 O=C(O)C1NCCC2=C1C=CC=C2 W7223 [0,0,0,1,0,0|3,0,0]=4 45 B14R2.31359 O=C(O)C1OCCC2=C1C=CC=C2 7283AH [0,0,0,1,0,0|3,0,0]=4 46 B14R2.31359 O=C(O)[C@H]1NCCC2=C1C=CC=C2 4399AH [0,0,0,1,0,0|3,0,0]=4 47 B12R1.252 CC(C)CNCC1=CC=CC=C1 3705AL [0,0,0,0,1,0|2,0,1]=4 48 B12R1.252 CC(C)NCCC1=CC=CC=C1 2161AE [0,0,0,0,1,0|2,0,1]=4 49 B12R1.252 CC(N)CCCC1=CC=CC=C1 7584AD [0,0,0,0,1,0|1,0,1]=3 50 B12R1.252 O=C(O)CCCC1=CC=NC=C1 7697AC [0,0,0,0,1,0|2,0,0]=3 51 B12R1.252 O=C(O)CCCC1=CC=NC=C1 8657AE [0,0,0,0,1,0|2,0,0]=3 52 B12R1.252 O=C(O)CNCC1=NC=CC=C1 Z2473 [0,0,0,0,1,0|3,0,0]=4 53 B12R1.255 O=C(O)CCCCC1=CC=CS1 M841 [0,0,0,0,1,0|3,0,0]=4 54 B14R1.422 CN(C)CCCNCC1=CC=CC=C1 0333AE [0,0,0,0,0,1|3,0,0]=4 55 B11R1.28 CCOCCC1=NC=CC=C1 Y8563 [2,0,0,0,0,0|1,0,1]=4 56 B11R1.28 CNCCCC1=CC=CC=C1 1600AB [2,0,0,0,0,0|1,0,0]=3 57 B11R1.28 NCCCCC1=CC=CC=C1 9681AD [2,0,0,0,0,0|1,0,1]=4 58 B11R1.28 NOCOCC1=CC=CC=C1 2357AF [2,0,0,0,0,0|2,0,0]=4 59 B11R1.28 O=CCCCC1=CC=CC=C1 6150AD [2,0,0,0,0,0|0,0,0]=2 60 B13R1.6 CCOCCOC1=CC(N)=CC=C1 8113AC [1,1,0,0,0,0|1,0,1]=4 61 B13R1.9 CCCCCCC1=CC=C(O)C=C1 8154AJ [1,1,0,0,0,0|1,0,1]=4 62 B13R1.9 CCOCCOC1=CC=C(N)C=C1 7570AE [1,1,0,0,0,0|1,0,1]=4 63 B13R1.28 C=COCCNCC1=CC=CC=C1 9011AE [1,1,0,0,0,0|0,0,1]=3 64 B13R1.42 C=COC(=O)CCC1=CC=CC=C1 7884AB [1,1,0,0,0,0|0,0,2]=4 65 B13R1.555 CCOCCOC1=C(N)C=CC=C1 9663AD [1,1,0,0,0,0|1,0,1]=4 66 B13R1.555 CCOCCOC1=CC=CC=C1N 8115AC [1,1,0,0,0,0|1,0,1]=4 67 B13R1.45 CN(C)CCC(Cl)C1=CC=CC=C1 8635AH [0,1,0,0,1,0|2,0,0]=4 68 B13R1.45 CN(C)CCC(N)C1=CC=CC=C1 6102AC [0,1,0,0,1,0|2,0,0]=4 69 B13R1.45 CN(C)CC[C@@H](O)C1=CC=CC=C1 3422AD [0,1,0,0,1,0|2,0,0]=4 70 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 2633AJ [0,1,0,0,1,0|1,0,0]=3 71 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 2634AJ [0,1,0,0,1,0|1,0,0]=3 72 B13R1.149 CC(=O)OCCC1=CC(Br)=CC=C1 AMTH291 [0,1,0,0,1,0|0,0,0]=2 73 B13R1.149 NC1=CC(CCCC(=O)O)=CC=C1 5501AC [0,1,0,0,1,0|1,0,0]=3 74 B13R1.158 O=C(O)CCCC1=C(F)C=CC=C1 2505AL [0,1,0,0,1,0|1,0,0]=3 75 B13R1.158 O=C(O)CCOC1=CC=CC=C1Cl 5613AJ [0,1,0,0,1,0|2,0,0]=4 76 B13R1.158 O=C(O)CCOC1=CC=CC=C1F 9371AD [0,1,0,0,1,0|2,0,0]=4 77 B13R1.348 CN(CC(=O)O)CC1=CC=CC=C1 1874AE [0,1,0,0,1,0|2,0,0]=4 78 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CN=C1 2462AB [0,1,0,0,1,0|2,0,0]=4 79 B13R1.351 CC(=O)C(C)OCC1=CC=CC=C1 4595AF [0,1,0,0,1,0|1,0,0]=3 80 B13R1.351 CC(OCC1=CC=CC=C1)C(=O)O 3119AH [0,1,0,0,1,0|2,0,0]=4 81 B13R1.351 CC(SCC1=CC=CC=C1)C(=O)O Y8576 [0,1,0,0,1,0|2,0,0]=4 82 B13R1.513 CC1=CC=C(SCCC(=O)O)C=C1 4035AD [0,1,0,0,1,0|2,0,0]=4 83 B13R1.513 CN(C)CCCC1=CC=C(N)C=C1 3207AE [0,1,0,0,1,0|2,0,0]=4 84 B13R1.3523 C[Si](C)(Cl)CCCC1=CC=CC=C1 7366AL [0,1,0,0,1,0|1,1,0]=4 85 B15R1.5919 CC(=O)ONC(=O)OCC1=CC=CC=C1 8698AL [0,1,0,0,0,1|1,0,1]=4 86 B15R1.9084 CC(=O)CC(=O)NCCC1=CC=CC=C1 5988AF [0,1,0,0,0,1|1,0,1]=4 87 B15R1.64 COC1=CC=CC(CCCCC(=O)O)=C1 9950AB [0,2,0,0,0,0|2,0,0]=4 88 B15R1.888 CC1=C(C)C=C(CCCCC(=O)O)C=C1 2943AJ [0,2,0,0,0,0|2,0,0]=4 89 B15R1.959 COC(=O)CCNC(C)C1=CC=CC=C1 3205AE [0,2,0,0,0,0|2,0,0]=4 90 B15R1.5331 CCN(CCOC(C)=O)C1=CC=CC=C1 5054AB [0,2,0,0,0,0|1,0,0]=3 91 B15R1.496 N[C@@H](CC1=CC=CC=C1)[C@@H](O)CC(=O)O X5083 [0,2,0,0,0,0|2,0,0]=4 92 B15R1.741 COC(=O)CC(C)NCC1=CC=CC=C1 3537AL [0,2,0,0,0,0|2,0,0]=4 93 B15R1.778 CCOC(=O)CCCOC1=CC=CC=C1 7865AL [0,2,0,0,0,0|2,0,0]=4 94 B15R1.778 O=C(CCCl)NCCSC1=CC=CC=C1 2909AF [0,2,0,0,0,0|2,0,0]=4 95 B15R1.1321 COC(=O)[C@@H](N)COCC1=CC=CC=C1 V4090 [0,2,0,0,0,0|2,0,0]=4 96 B13R2.3 C1=CC=C([C@@H]2CCCNC2)C=C1 W7231 [1,0,0,1,0,0|2,0,0]=4 97 B13R2.3 C1=CC=C([C@H]2CCCNC2)C=C1 W6259 [1,0,0,1,0,0|2,0,0]=4 98 B13R2.15 O=C1CCCC1C2=NC=CC=C2 Y8573 [1,0,0,1,0,0|2,0,0]=4 99 B13R2.25 O=C=N[C@@H]1C[C@H]1C2=CC=CC=C2 5843AF [1,0,0,1,0,0|1,0,1]=4 100 B13R2.64 C1=CC=C(CC2CCNC2)C=C1 5490AD [1,0,0,1,0,0|1,0,1]=4 101 B13R2.1613 O=CC1CCCC2=C1C=CC=C2 9579AH [1,0,0,1,0,0|1,0,0]=3 102 B13R2.5252 O=C1CCCSC2=CC=CC=C12 1335AJ [1,0,0,1,0,0|2,0,0]=4 103 B13R2.5252 O=C1NCCCC2=CC=CC=C12 V7221 [1,0,0,1,0,0|1,0,0]=3 104 B13R2.10 O=C1C=C(C2=CC=CC=C2)CC1 2385AJ [0,0,0,1,1,0|0,0,2]=4 105 B13R2.10 O=C1CCC(C2=CC=CC=C2)C1 2386AJ [0,0,0,1,1,0|0,0,0]=2 106 B13R2.10 O=C1CC[C@H](C2=CC=CC=C2)C1 4216AL [0,0,0,1,1,0|0,0,0]=2 107 B13R2.72 O=C(O)C1COC2=CC=CC=C21 5259AB [0,0,0,1,1,0|2,0,0]=4 108 B13R2.72 O=C(O)C1NCC2=C1C=CC=C2 X7950 [0,0,0,1,1,0|2,0,0]=4 109 B13R2.72 O=C(O)C1NCC2=CC=CC=C21 1356AJ [0,0,0,1,1,0|2,0,0]=4 110 B13R2.163 O=C1CC2=C(C=CC=C2)CCN1 8051AA [0,0,0,1,1,0|1,0,0]=3 111 B13R2.163 O=C1CCOC2=CC=CC=C2N1 9348AJ [0,0,0,1,1,0|2,0,0]=4 112 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 8324AB [0,0,0,1,1,0|1,0,0]=3 113 B13R2.423 O=C(O)C1CC1C2=NC=CC=C2 1279AJ [0,0,0,1,1,0|2,0,0]=4 114 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 6031AC [0,0,0,1,1,0|1,0,0]=3 115 B15R2.31 BrC1=CCCN(CC2=CC=CC=C2)C1 Y7139 [0,0,0,1,0,1|2,0,0]=4 116 B15R2.31 O=C1CCNC(CC2=CC=CC=C2)C1 4620AA [0,0,0,1,0,1|1,0,0]=3 117 B15R2.63 O=C(O)[C@H]1NCCC1C2=CC=CC=C2 X9274 [0,0,0,1,0,1|2,0,0]=4 118 B15R2.1241 NC(=O)C1CCN1CC2=CC=CC=C2 Y9026 [0,0,0,1,0,1|2,0,0]=4 119 B15R2.1241 O=C(O)C1CCN1CC2=CC=CC=C2 9483AA [0,0,0,1,0,1|2,0,0]=4 120 B15R2.332 NC1=CC=CC=C1N2CCNC(=O)C2 3390AF [0,1,0,1,0,0|2,0,0]=4 121 B15R2.332 O=C1CCCC(C2=CC=CC=C2F)C1 4224AD [0,1,0,1,0,0|1,0,0]=3 122 B15R2.13587 CC(=O)OC1CCC2=C1N=CC=C2Cl 6233AC [0,1,0,1,0,0|1,0,0]=3 123 B15R2.548 O=C1CCC(C2=CC=CC=C2)CCN1 1667AC [0,1,0,1,0,0|1,0,0]=3 124 B15R2.98 NC1=CC=C(C[C@@H]2COC(=O)N2)C=C1 2311AB [0,1,0,1,0,0|1,0,0]=3 125 B15R2.7268 CC(=O)N1CCCC2=CC=C(I)C=C21 9515AH [0,1,0,1,0,0|1,0,0]=3 126 B15R2.79765 COC(=O)C1NCCC2=CC=CC=C21 4184AJ [0,1,0,1,0,0|2,0,0]=4 127 B15R2.79765 COC(=O)C1NCCC2=CC=CC=C21 4185AJ [0,1,0,1,0,0|2,0,0]=4 128 B15R2.79765 O=C(CCl)N1CCCC2=CC=CC=C21 9165AD [0,1,0,1,0,0|1,0,0]=3 129 B15R2.314 CC1CN(CC2=CC=CC=C2)CC1=O 9714AH [0,1,0,1,0,0|2,0,0]=4 130 B15R2.1255 NC(C(=O)O)C1CCC2=C1C=CC=C2 9400AA [0,1,0,1,0,0|2,0,0]=4 131 B11R1.91 CC(=N)NCC1=CC=CC=C1 1916AH [0,0,0,0,2,0|2,0,0]=4 132 B11R1.91 CC(=O)COC1=CC=CC=C1 X5334 [0,0,0,0,2,0|1,0,0]=3 133 B11R1.91 CC(=O)OCC1=CC=NC=C1 N216 [0,0,0,0,2,0|1,0,0]=3 134 B11R1.91 N=C(N)CCC1=CC=CC=C1 8227AD [0,0,0,0,2,0|2,0,0]=4 135 B11R1.91 NC(=O)CCC1=NC=CC=C1 5628AJ [0,0,0,0,2,0|2,0,0]=4