0 B13R1.718 CCC(=O)NCCC1=CC=CC=C1 CNP0122784.0 [0,0,0,0,0,0|2,0,0]=2 1 B13R1.718 CCC(=O)OCCC1=CC=CC=C1 CNP0080166.0 [0,0,0,0,0,0|2,0,0]=2 2 B13R1.718 CCC(C)CCCC1=CC=CN=C1 CNP0571629.0 [0,0,0,0,0,0|3,0,1]=4 3 B13R1.718 COC(=O)C=CNC1=CC=CC=C1 CNP0065304.0 [0,0,0,0,0,0|1,0,2]=3 4 B13R1.718 COC(=O)CC=CC1=CC=CC=C1 CNP0207145.0 [0,0,0,0,0,0|0,0,2]=2 5 B13R1.718 COC(=O)CCCC1=CC=CC=C1 CNP0068339.0 [0,0,0,0,0,0|0,0,0]=0 6 B13R1.718 COC(=O)CNCC1=CC=CC=C1 CNP0175539.0 [0,0,0,0,0,0|1,0,0]=1 7 B13R1.718 OCN(O)CCCC1=CC=CC=C1 CNP0505008.0 [0,0,0,0,0,0|3,0,1]=4 8 B12R1.8 CC=CC#CCC1=CC=CC=C1 CNP0266178.0 [1,0,0,0,0,0|1,0,2]=4 9 B12R1.8 CC=CC=CCC1=CC=CC=C1 CNP0076593.0 [1,0,0,0,0,0|1,0,2]=4 10 B12R1.8 CCCCCCC1=CC=CC=C1 CNP0276048.0 [1,0,0,0,0,0|1,0,1]=3 11 B12R1.8 CCCCCCC1=CC=CN=C1 CNP0002604.0 [1,0,0,0,0,0|2,0,1]=4 12 B12R1.8 CCCCOCC1=CC=CC=C1 CNP0003510.0 [1,0,0,0,0,0|2,0,1]=4 13 B12R1.8 O=COCCCC1=CC=CC=C1 CNP0314153.0 [1,0,0,0,0,0|3,0,0]=4 14 B12R1.8 OCCCCCC1=CC=CC=C1 CNP0367476.0 [1,0,0,0,0,0|2,0,1]=4 15 B12R1.8 S=C=NCCCC1=CC=CC=C1 CNP0186955.0 [1,0,0,0,0,0|3,0,0]=4 16 B12R1.8 S=CC=NCCC1=CC=CC=C1 CNP0092045.0 [1,0,0,0,0,0|3,0,0]=4 17 B12R1.8 S=CC=[N+]CCC1=CC=CC=C1 CNP0524152.0 [1,0,0,0,0,0|3,0,0]=4 18 B12R1.252 CC(=CCCC1=CC=CC=C1)C CNP0046365.0 [1,0,0,0,0,0|1,0,1]=3 19 B12R1.252 CC(=O)C=NNC1=CC=CC=C1 CNP0071032.0 [1,0,0,0,0,0|2,0,1]=4 20 B12R1.252 CC(=O)NCCC1=CC=CC=C1 CNP0298057.0 [1,0,0,0,0,0|1,0,0]=2 21 B12R1.252 CC(=O)OCCC1=CC=CC=C1 CNP0195113.0 [1,0,0,0,0,0|1,0,0]=2 22 B12R1.252 NC(=O)CC=CC1=CC=CC=C1 CNP0073923.0 [1,0,0,0,0,0|1,0,2]=4 23 B12R1.252 NC(=O)NCCC1=CC=CC=C1 CNP0509449.0 [1,0,0,0,0,0|2,0,0]=3 24 B12R1.252 O=C(O)CC=CC1=CC=CC=C1 CNP0242436.0 [1,0,0,0,0,0|0,0,2]=3 25 B12R1.252 O=C(O)CC=CC1=CC=CN=C1 CNP0110379.0 [1,0,0,0,0,0|1,0,2]=4 26 B12R1.252 O=C(O)CCCC1=CC=CC=C1 CNP0152618.0 [1,0,0,0,0,0|0,0,0]=1 27 B12R1.252 O=C(O)CCCC1=CC=CN=C1 CNP0002375.0 [1,0,0,0,0,0|1,0,0]=2 28 B12R1.252 O=C(O)CCOC1=CC=CC=C1 CNP0002351.0 [1,0,0,0,0,0|1,0,0]=2 29 B12R1.252 O=C(O)CSCC1=CC=CC=C1 CNP0438400.0 [1,0,0,0,0,0|1,0,0]=2 30 B14R1.13 CCC(=O)OCCC1=CC=C(C=C1)O CNP0268748.0 [0,1,0,0,0,0|2,0,0]=3 31 B14R1.163 CCC(=O)OC[C@H](O)C1=CC=CC=C1 CNP0242418.1 [0,1,0,0,0,0|2,0,0]=3 32 B14R1.163 CNC(=O)CCC(=O)C1=CC=CN=C1 CNP0177719.0 [0,1,0,0,0,0|2,0,1]=4 33 B14R1.163 COC(=O)CC[C@H](O)C1=CC=CC=C1 CNP0285839.1 [0,1,0,0,0,0|0,0,0]=1 34 B14R1.163 COC(=O)CNC(=O)C1=CC=CC=C1 CNP0071110.0 [0,1,0,0,0,0|1,0,1]=3 35 B14R1.520 CCCC(=O)NCCC1=CC=CC=C1 CNP0403031.0 [0,1,0,0,0,0|2,0,0]=3 36 B14R1.520 CCCC(=O)OCCC1=CC=CC=C1 CNP0079810.0 [0,1,0,0,0,0|2,0,0]=3 37 B14R1.520 CCOC(=O)CCCC1=CC=CC=C1 CNP0003357.0 [0,1,0,0,0,0|0,0,0]=1 38 B14R1.520 CCOC(=O)NCCC1=CC=CC=C1 CNP0190638.0 [0,1,0,0,0,0|1,0,0]=2 39 B14R1.520 O=C(CCO)OCCC1=CC=CC=C1 CNP0118006.0 [0,1,0,0,0,0|2,0,0]=3 40 B14R1.743 CNC(=O)CC(=O)CC1=CC=CN=C1 CNP0325410.0 [0,1,0,0,0,0|2,0,1]=4 41 B14R1.743 COC(=O)C=C(C)NC1=CC=CC=C1 CNP0099886.0 [0,1,0,0,0,0|1,0,2]=4 42 B14R1.756 COC(=O)[C@@H](C)CCC1=CC=CC=C1 CNP0179092.2 [0,1,0,0,0,0|0,0,0]=1 43 B14R1.756 COC(=O)[C@@H](C)NCC1=CC=CC=C1 CNP0313908.1 [0,1,0,0,0,0|1,0,0]=2 44 B14R1.756 COC(=O)[C@H](C)CCC1=CC=CC=C1 CNP0179092.1 [0,1,0,0,0,0|0,0,0]=1 45 B14R1.756 COC(=O)[C@H](C)NCC1=CC=CC=C1 CNP0313908.2 [0,1,0,0,0,0|1,0,0]=2 46 B14R1.756 CSC(=O)N(C)CCC1=CC=CC=C1 CNP0078296.0 [0,1,0,0,0,0|1,1,0]=3 47 B14R1.837 COC(=O)NCCC1=CC=CC=C1N CNP0030218.0 [0,1,0,0,0,0|1,0,0]=2 48 B14R1.6449 CC(C)C(=O)NCCC1=CC=CC=C1 CNP0103437.0 [0,1,0,0,0,0|2,0,0]=3 49 B14R1.6449 CC(C)C(=O)OCCC1=CC=CC=C1 CNP0142246.0 [0,1,0,0,0,0|2,0,0]=3 50 B14R1.6449 CC(O)C(=O)OCCC1=CC=CC=C1 CNP0489052.0 [0,1,0,0,0,0|2,0,0]=3 51 B14R1.6449 O=C(O)C(=O)CCCC1=CC=CC=C1 CNP0593415.0 [0,1,0,0,0,0|2,0,0]=3 52 B14R2.19 O=C1C=C(CO1)CC2=CC=CC=C2 CNP0220173.0 [0,0,0,1,0,0|0,0,2]=3 53 B14R2.19 O=C1CC[C@@H](N1)CC2=CC=CC=C2 CNP0343477.1 [0,0,0,1,0,0|2,0,0]=3 54 B14R2.19 O=C1CC[C@@H](O1)CC2=CC=CC=C2 CNP0280677.1 [0,0,0,1,0,0|2,0,0]=3 55 B14R2.19 O=C1N[C@H](CO1)CC2=CC=CC=C2 CNP0490847.1 [0,0,0,1,0,0|1,0,0]=2 56 B14R2.95 COC(=O)C1=CNC2=CC=CC=C12 CNP0153897.0 [0,0,0,1,0,0|1,0,2]=4 57 B14R2.958 CNC(=O)[C@H]1O[C@@H]1C2=CC=CC=C2 CNP0208614.1 [0,0,0,1,0,0|2,0,0]=3 58 B14R2.4514 CC1C(=O)CCC1C2=CC=CC=C2 CNP0138853.0 [0,0,0,1,0,0|1,0,0]=2 59 B14R2.4514 CN1C(=O)CC[C@@H]1C2=CC=CN=C2 CNP0148535.2 [0,0,0,1,0,0|2,0,0]=3 60 B14R2.4514 CN1C(=O)CC[C@H]1C2=CC=CN=C2 CNP0148535.1 [0,0,0,1,0,0|2,0,0]=3 61 B14R2.4514 CN1C(=O)OC[C@@H]1C2=CC=CC=C2 CNP0331634.1 [0,0,0,1,0,0|2,0,0]=3 62 B12R1.27 CCC(=O)CCC1=CC=CC=C1 CNP0536432.0 [0,0,0,0,1,0|1,0,0]=2 63 B12R1.27 CCC(=O)NNC1=CC=CC=C1 CNP0034463.0 [0,0,0,0,1,0|3,0,0]=4 64 B12R1.27 CCC(=O)OCC1=CC=CC=C1 CNP0120803.0 [0,0,0,0,1,0|2,0,0]=3 65 B12R1.27 CC[C@@H](C)CCC1=CC=CC=C1 CNP0095127.1 [0,0,0,0,1,0|2,0,1]=4 66 B12R1.27 CC[C@H](O)CCC1=CC=CC=C1 CNP0327445.1 [0,0,0,0,1,0|1,0,2]=4 67 B12R1.27 CNC(=O)C=CC1=CC=CC=C1 CNP0112097.0 [0,0,0,0,1,0|1,0,2]=4 68 B12R1.27 COC(=O)C=CC1=CC=CC=C1 CNP0290830.0 [0,0,0,0,1,0|0,0,2]=3 69 B12R1.27 COC(=O)C=CC1=CC=CN=C1 CNP0057404.0 [0,0,0,0,1,0|1,0,2]=4 70 B12R1.27 COC(=O)CCC1=CC=CC=C1 CNP0253198.0 [0,0,0,0,1,0|0,0,0]=1 71 B12R1.27 COC(=S)NCC1=CC=CC=C1 CNP0103481.0 [0,0,0,0,1,0|1,1,0]=3 72 B12R1.27 NCC(=O)OCC1=CC=CC=C1 CNP0003113.0 [0,0,0,0,1,0|3,0,0]=4 73 B12R1.27 NNC(=O)OCC1=CC=CC=C1 CNP0146630.0 [0,0,0,0,1,0|3,0,0]=4 74 B12R1.27 O=C(C=CC1=CC=CC=C1)OO CNP0086495.0 [0,0,0,0,1,0|1,0,2]=4 75 B12R1.27 O=C(NCl)OCC1=CC=CC=C1 CNP0069758.0 [0,0,0,0,1,0|3,0,0]=4 76 B12R1.477 COC(=CCCC1=CSC=C1)C CNP0500022.0 [0,0,0,0,1,0|2,0,1]=4 77 B14R1.716 CCC(=O)C=CCCC1=CC=CC=C1 CNP0331645.0 [0,0,0,0,0,1|1,0,1]=3 78 B14R1.716 CCC(=O)CCCCC1=CC=CC=C1 CNP0547588.0 [0,0,0,0,0,1|1,0,0]=2 79 B14R1.716 CCC(=O)OCC=CC1=CC=CC=C1 CNP0002421.0 [0,0,0,0,0,1|1,0,2]=4 80 B14R1.716 CCC(=O)OCCCC1=CC=CC=C1 CNP0147172.0 [0,0,0,0,0,1|1,0,0]=2 81 B14R1.716 CCC(O)CCCCC1=CC=CC=C1 CNP0576842.0 [0,0,0,0,0,1|1,0,2]=4 82 B14R1.716 COC(=O)C=CC=CC1=CC=CC=C1 CNP0143962.0 [0,0,0,0,0,1|0,0,3]=4 83 B14R1.716 COC(O)CCCCC1=CC=CC=C1 CNP0609221.0 [0,0,0,0,0,1|0,0,2]=3 84 B11R0.3 C=CC=CC=CCCCCCC CNP0076022.0 [1,0,1,0,0,0|1,0,1]=4 85 B11R0.148 CCC=CC=CCCCC(=O)O CNP0544989.0 [1,0,1,0,0,0|0,0,2]=4 86 B11R1.28 C=CCOCC1=CC=CC=C1 CNP0575563.0 [2,0,0,0,0,0|1,0,1]=4 87 B11R1.28 CC=CCCC1=CC=CC=C1 CNP0591592.0 [2,0,0,0,0,0|0,0,1]=3 88 B11R1.28 CC=CCCC1=CC=CC=N1 CNP0080786.0 [2,0,0,0,0,0|1,0,1]=4 89 B11R1.28 CCCCCC1=CC=CC=C1 CNP0180656.0 [2,0,0,0,0,0|0,0,1]=3 90 B11R1.28 CCCCCC1=CC=CC=N1 CNP0343431.0 [2,0,0,0,0,0|1,0,1]=4 91 B11R1.28 CCCCCC1=CC=CN=C1 CNP0268691.0 [2,0,0,0,0,0|1,0,1]=4 92 B11R1.28 CCCCNC1=CC=CC=C1 CNP0128874.0 [2,0,0,0,0,0|1,0,1]=4 93 B11R1.28 CCCCOC1=CC=CC=C1 CNP0581047.0 [2,0,0,0,0,0|1,0,1]=4 94 B11R1.28 CCNCCC1=CC=CC=C1 CNP0355449.0 [2,0,0,0,0,0|1,0,1]=4 95 B11R1.28 CCOCCC1=CC=CC=C1 CNP0162532.0 [2,0,0,0,0,0|1,0,1]=4 96 B11R1.28 COCCOC1=CC=CC=C1 CNP0511350.0 [2,0,0,0,0,0|1,0,0]=3 97 B11R1.28 NCCCCC1=CC=CC=C1 CNP0573837.0 [2,0,0,0,0,0|1,0,1]=4 98 B11R1.28 O=CC=CCC1=CC=CC=C1 CNP0157371.0 [2,0,0,0,0,0|0,0,2]=4 99 B11R1.28 O=COCCC1=CC=CC=C1 CNP0271229.0 [2,0,0,0,0,0|1,0,0]=3 100 B11R1.28 OCCCCC1=CC=CC=C1 CNP0531159.0 [2,0,0,0,0,0|0,0,1]=3 101 B11R1.28 ON=CCCC1=CC=CC=C1 CNP0251852.0 [2,0,0,0,0,0|1,0,1]=4 102 B13R0.2 CC=CCC=CCCCC(=O)OCC CNP0208574.0 [0,1,1,0,0,0|0,0,2]=4 103 B13R1.9 CCCCCCC1=CC=C(C=C1)O CNP0504357.0 [1,1,0,0,0,0|1,0,1]=4 104 B13R1.24 CCCCCC(O)C1=CC=CC=C1 CNP0356148.0 [1,1,0,0,0,0|1,0,1]=4 105 B13R1.28 CCC=CCCCC1=CC=CC=N1 CNP0137989.0 [1,1,0,0,0,0|2,0,0]=4 106 B13R1.28 CCCCCCCC1=CC=CC=C1 CNP0084843.0 [1,1,0,0,0,0|1,0,1]=4 107 B13R1.28 OCCCCCCC1=CC=CC=C1 CNP0214808.0 [1,1,0,0,0,0|1,0,1]=4 108 B13R1.337 CC(=O)C=CCCC1=CC=CC=C1 CNP0172070.0 [1,1,0,0,0,0|1,0,1]=4 109 B13R1.337 CC(=O)OCCCC1=CC=CC=C1 CNP0266306.0 [1,1,0,0,0,0|2,0,0]=4 110 B13R1.555 CCCCCCC1=CC=CC=C1C CNP0102963.0 [1,1,0,0,0,0|1,0,1]=4 111 B13R1.45 C=C(COC(=O)C)C1=CC=CC=C1 CNP0111069.0 [1,1,0,0,0,0|1,0,1]=4 112 B13R1.45 CC(=O)NCC(=O)C1=CC=CC=C1 CNP0232667.0 [1,1,0,0,0,0|1,0,1]=4 113 B13R1.45 CC(=O)NCC(O)C1=CC=CC=C1 CNP0575044.0 [1,1,0,0,0,0|1,0,0]=3 114 B13R1.45 C[C@H](CCC(=O)O)C1=CC=CC=C1 CNP0372042.1 [1,1,0,0,0,0|0,0,0]=2 115 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 CNP0361310.2 [1,1,0,0,0,0|0,0,0]=2 116 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 CNP0361310.1 [1,1,0,0,0,0|0,0,0]=2 117 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 CNP0453495.0 [1,1,0,0,0,0|0,0,1]=3 118 B13R1.45 O=C(O)CCC(=O)C1=CC=CN=C1 CNP0220622.0 [1,1,0,0,0,0|1,0,1]=4 119 B13R1.45 O=C(O)CCC(O)C1=CC=CN=C1 CNP0334963.0 [1,1,0,0,0,0|1,0,0]=3 120 B13R1.45 O=C(O)CC[C@@H](O)C1=CC=CC=C1 CNP0303655.1 [1,1,0,0,0,0|0,0,0]=2 121 B13R1.45 O=C(O)CC[C@H](O)C1=CC=CC=C1 CNP0303655.2 [1,1,0,0,0,0|0,0,0]=2 122 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 CNP0201196.0 [1,1,0,0,0,0|1,0,1]=4 123 B13R1.149 CC(=O)CCCC1=CC=CC(=O)O1 CNP0288902.0 [1,1,0,0,0,0|1,0,0]=3 124 B13R1.149 CC(=O)OCCC1=CC=CC(=C1)O CNP0581912.0 [1,1,0,0,0,0|1,0,0]=3 125 B13R1.158 CC(=O)NCCC1=CC=CC=C1O CNP0308942.0 [1,1,0,0,0,0|1,0,0]=3 126 B13R1.158 O=C(O)CC=CC1=CC=CC=C1O CNP0121004.0 [1,1,0,0,0,0|0,0,2]=4 127 B13R1.158 O=C(O)CCCC1=CC=CC=C1O CNP0277650.0 [1,1,0,0,0,0|0,0,0]=2 128 B13R1.348 CC(=O)CC(=CC1=CC=CC=C1)C CNP0258512.0 [1,1,0,0,0,0|0,0,2]=4 129 B13R1.348 CC(=O)CC(=NC1=CC=CC=C1)C CNP0377921.0 [1,1,0,0,0,0|1,0,1]=4 130 B13R1.348 CC(=O)C[C@H](O)CC1=CC=CC=C1 CNP0264298.1 [1,1,0,0,0,0|0,0,0]=2 131 B13R1.348 CC(=O)N[C@@H](C)CC1=CC=CC=C1 CNP0071012.2 [1,1,0,0,0,0|1,0,0]=3 132 B13R1.348 CC(=O)N[C@H](C)CC1=CC=CC=C1 CNP0071012.1 [1,1,0,0,0,0|1,0,0]=3 133 B13R1.348 CC(C)CC(O)CC1=CC=CC=C1 CNP0003361.0 [1,1,0,0,0,0|1,0,1]=4 134 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 CNP0238803.0 [1,1,0,0,0,0|0,0,0]=2 135 B13R1.348 O=C(O)CC(=O)NC1=CC=CC=C1 CNP0071010.0 [1,1,0,0,0,0|1,0,1]=4 136 B13R1.351 CC(=O)[C@@H](N)CCC1=CC=CC=C1 CNP0565249.1 [1,1,0,0,0,0|0,0,0]=2 137 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O CNP0082825.1 [1,1,0,0,0,0|0,0,0]=2 138 B13R1.351 N[C@@H](CSC1=CC=CC=C1)C(=O)O CNP0294633.1 [1,1,0,0,0,0|1,0,0]=3 139 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O CNP0082825.2 [1,1,0,0,0,0|0,0,0]=2 140 B13R1.351 O=C(O)[C@@H](O)COC1=CC=CC=C1 CNP0287022.1 [1,1,0,0,0,0|1,0,0]=3 141 B13R1.513 CC(=O)CC=CC1=CC=C(C=C1)O CNP0480900.0 [1,1,0,0,0,0|0,0,2]=4 142 B13R1.513 CC(=O)CCOC1=CC=C(C=C1)O CNP0081116.0 [1,1,0,0,0,0|1,0,0]=3 143 B13R1.513 CC(=O)NCCC1=CC=C(C=C1)O CNP0309556.0 [1,1,0,0,0,0|1,0,0]=3 144 B13R1.513 CC(=O)OCCC1=CC=C(C=C1)O CNP0363419.0 [1,1,0,0,0,0|1,0,0]=3 145 B13R1.513 CC1=CC=C(C=C1)OCCP(=O)O CNP0506132.0 [1,1,0,0,0,0|2,0,0]=4 146 B13R1.513 C[C@H](O)CCCC1=CC=C(C=C1)O CNP0310570.1 [1,1,0,0,0,0|0,0,2]=4 147 B13R1.3523 O=S(=O)(O)CCNC1=CC=CC=C1 CNP0507903.0 [1,1,0,0,0,0|2,0,0]=4 148 B13R1.11 CCC(=O)O[C@H](C)C1=CC=CC=C1 CNP0247095.1 [0,1,0,0,1,0|2,0,0]=4 149 B13R1.11 COC(=O)C[C@@H](C)C1=CC=CC=C1 CNP0391081.2 [0,1,0,0,1,0|0,0,0]=2 150 B13R1.11 COC(=O)C[C@@H](N)C1=CC=CC=C1 CNP0474335.1 [0,1,0,0,1,0|0,0,0]=2 151 B13R1.11 COC(=O)C[C@@H](O)C1=CC=CC=C1 CNP0209133.2 [0,1,0,0,1,0|0,0,0]=2 152 B13R1.11 COC(=O)C[C@H](C)C1=CC=CC=C1 CNP0391081.1 [0,1,0,0,1,0|0,0,0]=2 153 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 CNP0474335.2 [0,1,0,0,1,0|0,0,0]=2 154 B13R1.11 COC(=O)C[C@H](O)C1=CC=CC=C1 CNP0209133.1 [0,1,0,0,1,0|0,0,0]=2 155 B13R1.14 CNC(=O)CCC1=CC=C(C=C1)O CNP0073787.0 [0,1,0,0,1,0|1,0,0]=3 156 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)Br CNP0066263.0 [0,1,0,0,1,0|0,0,2]=4 157 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)C CNP0331308.0 [0,1,0,0,1,0|0,0,2]=4 158 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)O CNP0173530.0 [0,1,0,0,1,0|0,0,2]=4 159 B13R1.14 COC(=O)CCC1=CC=C(C=C1)O CNP0208741.0 [0,1,0,0,1,0|0,0,0]=2 160 B13R1.15 COC(=O)C=CC1=CC=CC(=C1)Cl CNP0033800.0 [0,1,0,0,1,0|0,0,2]=4 161 B13R1.15 COC(=O)C=CC1=CC=CC(=C1)O CNP0082062.0 [0,1,0,0,1,0|0,0,2]=4 162 B13R1.135 CCC(=O)[C@H](O)CC1=CC=CC=C1 CNP0117427.1 [0,1,0,0,1,0|1,0,0]=3 163 B13R1.135 COC(=O)C(=CC1=CC=CC=C1)N CNP0597874.0 [0,1,0,0,1,0|0,0,2]=4 164 B13R1.135 COC(=O)C(=O)CC1=CC=CC=C1 CNP0210071.0 [0,1,0,0,1,0|0,0,1]=3 165 B13R1.135 COC(=O)[C@@H](C)NC1=CC=CC=C1 CNP0588654.2 [0,1,0,0,1,0|1,0,0]=3 166 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 CNP0261581.3 [0,1,0,0,1,0|0,0,0]=2 167 B13R1.135 COC(=O)[C@@H](N)OC1=CC=CC=C1 CNP0170775.1 [0,1,0,0,1,0|1,0,0]=3 168 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 CNP0387243.1 [0,1,0,0,1,0|0,0,0]=2 169 B13R1.135 COC(=O)[C@H](C)NC1=CC=CC=C1 CNP0588654.1 [0,1,0,0,1,0|1,0,0]=3 170 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 CNP0261581.2 [0,1,0,0,1,0|0,0,0]=2 171 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 CNP0387243.2 [0,1,0,0,1,0|0,0,0]=2 172 B13R1.135 N[C@@H](CC1=CC=CC=C1)C(=O)CCl CNP0508331.1 [0,1,0,0,1,0|2,0,0]=4 173 B13R1.135 N[C@@H](CC1=CC=CC=C1)C(=O)NI CNP0171534.1 [0,1,0,0,1,0|2,0,0]=4 174 B13R1.417 COC(CCC1=CC=CC=C1)OC CNP0293429.0 [0,1,0,0,1,0|0,0,2]=4 175 B13R1.528 COC(=O)C=CC1=CC=CC=C1O CNP0476201.0 [0,1,0,0,1,0|0,0,2]=4 176 B15R1.741 CCC(=O)C[C@H](O)CCC1=CC=CC=C1 CNP0272798.1 [0,1,0,0,0,1|1,0,0]=3 177 B15R1.741 COC(=O)C[C@@H](N)/C=C/C1=CC=CC=C1 CNP0448257.2 [0,1,0,0,0,1|0,0,1]=3 178 B15R1.741 COC(=O)C[C@H](N)/C=C/C1=CC=CC=C1 CNP0448257.1 [0,1,0,0,0,1|0,0,1]=3 179 B15R1.959 CCC(=O)CCCC(=O)C1=CC=CC=C1 CNP0212147.0 [0,1,0,0,0,1|1,0,0]=3 180 B15R1.1321 CNC(=O)C(=O)NCCC1=CC=CC=C1 CNP0588496.0 [0,1,0,0,0,1|1,0,1]=4 181 B15R1.1321 COC(=O)[C@@H](C)NOCC1=CC=CC=C1 CNP0136014.1 [0,1,0,0,0,1|1,0,0]=3 182 B15R1.1321 COC(=O)[C@H](C)NOCC1=CC=CC=C1 CNP0136014.2 [0,1,0,0,0,1|1,0,0]=3 183 B15R1.3664 CC(C)C(=O)OCCCC1=CC=CC=C1 CNP0175627.0 [0,1,0,0,0,1|1,0,0]=3 184 B15R1.3664 CC(C)C(=O)OCCOC1=CC=CC=C1 CNP0002509.0 [0,1,0,0,0,1|2,0,0]=4 185 B15R1.112 C[C@@H](O)C(=O)OCCC1=CC=C(C=C1)O CNP0382473.1 [0,2,0,0,0,0|2,0,0]=4 186 B15R1.112 C[C@H](O)C(=O)OCCC1=CC=C(C=C1)O CNP0382473.2 [0,2,0,0,0,0|2,0,0]=4 187 B15R1.132 COC(=O)CNC(=O)C1=CC=C(C=C1)Cl CNP0006820.0 [0,2,0,0,0,0|1,0,1]=4 188 B15R1.206 COC(=O)C=CCC1=CC=C(C=C1)OC CNP0338380.0 [0,2,0,0,0,0|0,0,2]=4 189 B15R1.206 COC(=O)CC=CC1=CC=C(C=C1)OC CNP0085661.0 [0,2,0,0,0,0|0,0,2]=4 190 B15R1.206 COC(=O)CCOC1=CC=C(C=C1)OC CNP0194275.0 [0,2,0,0,0,0|1,0,0]=3 191 B15R1.11630 COC(=O)CCCC1=CC=C(C(=N1)C)O CNP0294944.0 [0,2,0,0,0,0|1,0,0]=3 192 B15R1.89 CCCC(=O)OCC(C)C1=CC=CC=C1 CNP0003069.0 [0,2,0,0,0,0|2,0,0]=4 193 B15R1.89 CCCC(=O)OC[C@H](O)C1=CC=CC=C1 CNP0018655.1 [0,2,0,0,0,0|2,0,0]=4 194 B15R1.89 CCOC(=O)CNC(=O)C1=CC=CC=C1 CNP0392382.0 [0,2,0,0,0,0|1,0,1]=4 195 B15R1.133 COC(=O)CNC(=O)C1=CC=CC(=C1)Cl CNP0604020.0 [0,2,0,0,0,0|1,0,1]=4 196 B15R1.500 CC(C)C(=O)OCC(C)C1=CC=CC=C1 CNP0003068.0 [0,2,0,0,0,0|2,0,0]=4 197 B15R1.947 COC(=O)C(=O)CC(=O)C1=CC=CC=C1 CNP0501016.0 [0,2,0,0,0,0|0,0,2]=4 198 B15R1.5815 COC(=O)CNC(=O)C1=CC=CC=C1O CNP0260850.0 [0,2,0,0,0,0|1,0,1]=4 199 B15R1.157 C=CCCC(=O)NCCC1=CC=CC=C1 CNP0521839.0 [0,2,0,0,0,0|2,0,0]=4 200 B15R1.157 CCCCC(=O)NCCC1=CC=CC=C1 CNP0564432.0 [0,2,0,0,0,0|2,0,0]=4 201 B15R1.157 CCCCC(=O)OCCC1=CC=CC=C1 CNP0003032.0 [0,2,0,0,0,0|2,0,0]=4 202 B15R1.157 CSC=CC(=O)NCCC1=CC=CC=C1 CNP0546187.0 [0,2,0,0,0,0|1,1,0]=4 203 B15R1.157 CSC=CC(=O)OCCC1=CC=CC=C1 CNP0158618.0 [0,2,0,0,0,0|1,1,0]=4 204 B15R1.157 O=C(CCCO)OCCC1=CC=CC=C1 CNP0286415.0 [0,2,0,0,0,0|2,0,0]=4 205 B15R1.809 CCCC(=O)OC(C)CC1=CC=CC=C1 CNP0002894.0 [0,2,0,0,0,0|2,0,0]=4 206 B15R1.826 CCOC(=O)C(O)CCC1=CC=CC=C1 CNP0524257.0 [0,2,0,0,0,0|0,0,0]=2 207 B15R1.9084 CC(=CC(=O)NCCC1=CC=CC=C1)C CNP0350560.0 [0,2,0,0,0,0|2,0,0]=4 208 B15R1.9084 CC(=CC(=O)OCCC1=CC=CC=C1)C CNP0103341.0 [0,2,0,0,0,0|2,0,0]=4 209 B15R1.9084 CC(C)CC(=O)NCCC1=CC=CC=C1 CNP0172321.0 [0,2,0,0,0,0|2,0,0]=4 210 B15R1.9084 CC(C)CC(=O)OCCC1=CC=CC=C1 CNP0350208.0 [0,2,0,0,0,0|2,0,0]=4 211 B15R1.9084 CC(O)CC(=O)NCCC1=CC=CC=C1 CNP0408094.0 [0,2,0,0,0,0|2,0,0]=4 212 B15R1.966 CCC(=O)N[C@@H](CC)CC1=CC=CC=C1 CNP0047181.2 [0,2,0,0,0,0|2,0,0]=4 213 B15R1.966 CCC(=O)N[C@H](CC)CC1=CC=CC=C1 CNP0047181.1 [0,2,0,0,0,0|2,0,0]=4 214 B15R1.973 COC(=O)[C@@H](C)N(C)CC1=CC=CC=C1 CNP0330350.2 [0,2,0,0,0,0|1,0,0]=3 215 B15R1.973 COC(=O)[C@H](C)N(C)CC1=CC=CC=C1 CNP0330350.1 [0,2,0,0,0,0|1,0,0]=3 216 B15R1.1420 COC(=O)C(C)(C)NCC1=CC=CC=C1 CNP0552896.0 [0,2,0,0,0,0|1,0,0]=3 217 B15R1.85 COC(=O)CC=CC1=CC=CC=C1OC CNP0307538.0 [0,2,0,0,0,0|0,0,2]=4 218 B15R1.9095 CC(C)(C)C(=O)OCCC1=CC=CC=C1 CNP0590546.0 [0,2,0,0,0,0|2,0,0]=4 219 B13R2.3 C1=CC=C(C=C1)C2CCCCC2 CNP0320256.0 [1,0,0,1,0,0|1,0,1]=4 220 B13R2.3 C1=CC=C(C=C1)C2CCCNC2 CNP0501853.0 [1,0,0,1,0,0|1,0,1]=4 221 B13R2.15 C[N+]1=CCCC1C2=CC=CN=C2 CNP0493996.0 [1,0,0,1,0,0|2,0,0]=4 222 B13R2.1028 CCCC[C@@H]1CC2=CC=CC=C12 CNP0172495.2 [1,0,0,1,0,0|1,0,1]=4 223 B13R2.1028 CCCC[C@H]1CC2=CC=CC=C12 CNP0172495.1 [1,0,0,1,0,0|1,0,1]=4 224 B13R2.10 CC1=NN(CC1)C2=CC=CC=C2 CNP0058604.0 [1,0,0,1,0,0|2,0,0]=4 225 B13R2.10 NC1=NCC(O1)C2=CC=CC=C2 CNP0519009.0 [1,0,0,1,0,0|2,0,0]=4 226 B13R2.10 O=C1CC[C@H](N1)C2=CC=CN=C2 CNP0119552.1 [1,0,0,1,0,0|2,0,0]=4 227 B13R2.10 O=C1NC[C@@H](O1)C2=CC=CC=C2 CNP0207381.1 [1,0,0,1,0,0|1,0,0]=3 228 B13R2.10 O=C1NC[C@H](O1)C2=CC=CC=C2 CNP0207381.2 [1,0,0,1,0,0|1,0,0]=3 229 B13R2.10 OC1=NC(CC1)C2=CC=CN=C2 CNP0597392.0 [1,0,0,1,0,0|2,0,0]=4 230 B13R2.10 S=C1NC[C@@H](O1)C2=CC=CC=C2 CNP0144055.1 [1,0,0,1,0,0|1,1,0]=4 231 B13R2.10 S=C1NC[C@H](O1)C2=CC=CC=C2 CNP0144055.2 [1,0,0,1,0,0|1,1,0]=4 232 B13R2.10 SC1=NC[C@@H](O1)C2=CC=CC=C2 CNP0608607.1 [1,0,0,1,0,0|1,1,0]=4 233 B13R2.31 O=C1C[C@H](N1)SC2=CC=CC=C2 CNP0064455.1 [1,0,0,1,0,0|2,0,0]=4 234 B13R2.72 O=C(O)C1=C2C=CC=CC2=NC1 CNP0439159.0 [1,0,0,1,0,0|1,0,1]=4 235 B13R2.72 O=C(O)C1C=CC2=CC=CC=C12 CNP0085963.0 [1,0,0,1,0,0|0,0,2]=4 236 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 CNP0306656.4 [1,0,0,1,0,0|0,0,0]=2 237 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 CNP0306656.1 [1,0,0,1,0,0|0,0,0]=2 238 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 CNP0306656.3 [1,0,0,1,0,0|0,0,0]=2 239 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 CNP0306656.2 [1,0,0,1,0,0|0,0,0]=2 240 B13R2.5881 CC(=O)C=C1CC2=CC=CC=C12 CNP0132730.0 [1,0,0,1,0,0|0,0,2]=4 241 B13R2.5881 CC(=O)N[C@@H]1CC2=CC=CC=C12 CNP0067507.2 [1,0,0,1,0,0|1,0,0]=3 242 B13R2.5881 CC(=O)N[C@H]1CC2=CC=CC=C12 CNP0067507.1 [1,0,0,1,0,0|1,0,0]=3 243 B13R2.5881 CC(=O)O[C@@H]1CC2=CC=CC=C12 CNP0044409.1 [1,0,0,1,0,0|1,0,0]=3 244 B13R2.5881 CC(=O)O[C@H]1CC2=CC=CC=C12 CNP0044409.2 [1,0,0,1,0,0|1,0,0]=3 245 B13R2.33 O=C1CCC2=CC=CC=C2CC1 CNP0327972.0 [0,0,0,1,1,0|1,0,0]=3 246 B13R2.33 O=C1CCC2=CC=CC=C2OC1 CNP0162308.0 [0,0,0,1,1,0|2,0,0]=4 247 B15R2.4 CCC(=O)NN1CCC2=CC=CC=C12 CNP0092770.0 [0,0,0,1,0,1|2,0,0]=4 248 B15R2.4 COC(=O)CC1=CNC2=CC=CC=C12 CNP0242770.0 [0,0,0,1,0,1|0,0,2]=4 249 B15R2.29 O=C1CCN(CC1)CC2=CC=CC=C2 CNP0071240.0 [0,0,0,1,0,1|1,0,0]=3 250 B15R2.32 CC1=C(SCCC1=O)C2=CC=CC=C2 CNP0193905.0 [0,0,0,1,0,1|1,0,1]=4 251 B15R2.98 O=C1CCC(O1)CC2=CC=C(C=C2)O CNP0274138.0 [0,1,0,1,0,0|2,0,0]=4 252 B15R2.297 O=C1CC[C@H](O1)[C@@H](O)C2=CC=CC=C2 CNP0402320.1 [0,1,0,1,0,0|2,0,0]=4 253 B15R2.7221 CN1C(=O)CC[C@@]1(O)C2=CC=CN=C2 CNP0348884.1 [0,1,0,1,0,0|2,0,0]=4 254 B15R2.23388 COC(=O)[C@@H]1CC(=O)C2=CC=CC=C12 CNP0069380.1 [0,1,0,1,0,0|0,0,1]=3 255 B15R2.23388 COC(=O)[C@H]1CC(=O)C2=CC=CC=C12 CNP0069380.2 [0,1,0,1,0,0|0,0,1]=3 256 B15R2.325 O=C1C[C@@H]([C@@H](N1)CC2=CC=CC=C2)O CNP0265893.1 [0,1,0,1,0,0|2,0,0]=4 257 B15R2.325 O=C1C[C@H]([C@H](N1)CC2=CC=CC=C2)O CNP0265893.2 [0,1,0,1,0,0|2,0,0]=4 258 B15R2.389 CC1=C(CCC(=O)N1)C2=CC=CC=C2 CNP0056609.0 [0,1,0,1,0,0|1,0,1]=4 259 B15R2.389 CC1NC(=O)COC1C2=CC=CC=C2 CNP0533706.0 [0,1,0,1,0,0|2,0,0]=4 260 B15R2.1342 CCOC(=O)C1OC1C2=CC=CC=C2 CNP0003356.0 [0,1,0,1,0,0|1,0,0]=3 261 B15R2.1342 CCOC(=O)[C@@H]1C[C@@H]1C2=CC=CC=C2 CNP0406892.4 [0,1,0,1,0,0|0,0,0]=2 262 B15R2.1342 CCOC(=O)[C@@H]1C[C@H]1C2=CC=CC=C2 CNP0406892.2 [0,1,0,1,0,0|0,0,0]=2 263 B15R2.1342 CCOC(=O)[C@H]1C[C@@H]1C2=CC=CC=C2 CNP0406892.3 [0,1,0,1,0,0|0,0,0]=2 264 B15R2.1342 CCOC(=O)[C@H]1C[C@H]1C2=CC=CC=C2 CNP0406892.1 [0,1,0,1,0,0|0,0,0]=2 265 B15R2.2196 C1=CC=C(C=C1)CCCC2=CC=CO2 CNP0611697.0 [0,1,0,1,0,0|1,0,1]=4 266 B15R2.2196 C1=CC=C(C=C1)CCCC2CCCO2 CNP0002933.0 [0,1,0,1,0,0|1,0,1]=4 267 B15R2.2349 O=C1CC[C@H](N1CO)C2=CC=CN=C2 CNP0002371.1 [0,1,0,1,0,0|2,0,0]=4 268 B15R2.314 O=C1O[C@@H](C[C@@H]1O)CC2=CC=CC=C2 CNP0357970.3 [0,1,0,1,0,0|2,0,0]=4 269 B15R2.314 O=C1O[C@@H](C[C@H]1O)CC2=CC=CC=C2 CNP0357970.1 [0,1,0,1,0,0|2,0,0]=4 270 B15R2.314 O=C1O[C@H](C[C@@H]1O)CC2=CC=CC=C2 CNP0357970.2 [0,1,0,1,0,0|2,0,0]=4 271 B15R2.323 CN1C(=O)C[C@@H]([C@H]1C2=CC=CN=C2)O CNP0274386.1 [0,1,0,1,0,0|2,0,0]=4 272 B15R2.1569 COC(=O)CC1=CC2=CC=CC=C2N1 CNP0329443.0 [0,1,0,1,0,0|0,0,2]=4 273 B15R2.321 CN1C(=O)C(C[C@H]1C2=CC=CN=C2)O CNP0281121.1 [0,1,0,1,0,0|2,0,0]=4 274 B15R2.321 CN1C(=O)[C@@H](C[C@@H]1C2=CC=CN=C2)O CNP0281121.4 [0,1,0,1,0,0|2,0,0]=4 275 B15R2.321 CN1C(=O)[C@@H](C[C@H]1C2=CC=CN=C2)O CNP0281121.2 [0,1,0,1,0,0|2,0,0]=4 276 B15R2.321 CN1C(=O)[C@H](C[C@@H]1C2=CC=CN=C2)O CNP0281121.5 [0,1,0,1,0,0|2,0,0]=4 277 B15R2.321 CN1C(=O)[C@H](C[C@H]1C2=CC=CN=C2)O CNP0281121.3 [0,1,0,1,0,0|2,0,0]=4 278 B15R2.19402 COC(=O)[C@@]1(C=CC2=CC=CC=C12)C CNP0047357.2 [0,1,0,1,0,0|0,0,2]=4 279 B15R2.19402 COC(=O)[C@]1(C=CC2=CC=CC=C12)C CNP0047357.1 [0,1,0,1,0,0|0,0,2]=4 280 B15R2.1115 O=C1CC[C@@H](O1)CC2=CC=CC(=C2)O CNP0298256.1 [0,1,0,1,0,0|2,0,0]=4 281 B15R2.1115 O=C1CC[C@H](O1)CC2=CC=CC(=C2)O CNP0298256.2 [0,1,0,1,0,0|2,0,0]=4 282 B15R2.7137 CN1C(=O)CCC1C2=CC=C[N+](=C2)C CNP0534637.0 [0,1,0,1,0,0|2,0,0]=4 283 B15R2.7137 CN1C(=O)CC[C@H]1C2=CC=C[N+](=C2)[O-] CNP0496700.1 [0,1,0,1,0,0|2,0,0]=4 284 B15R3.794 O=C1CCC2=CC=CC3=C2N1CC3 CNP0021291.0 [0,0,0,2,0,0|2,0,0]=4 285 B11R1.91 CC(=CCC1=CC=CC=C1)C CNP0096741.0 [1,0,0,0,1,0|1,0,1]=4 286 B11R1.91 CC(=O)C=CC1=CC=CC=C1 CNP0331521.0 [1,0,0,0,1,0|0,0,2]=4 287 B11R1.91 CC(=O)CCC1=CC=CC=C1 CNP0182353.0 [1,0,0,0,1,0|0,0,0]=2 288 B11R1.91 CC(=O)OCC1=CC=CC=C1 CNP0361944.0 [1,0,0,0,1,0|1,0,0]=3 289 B11R1.91 CC(=O)ONC1=CC=CC=C1 CNP0256903.0 [1,0,0,0,1,0|2,0,0]=4 290 B11R1.91 CC(C)CCC1=CC=CC=C1 CNP0088598.0 [1,0,0,0,1,0|1,0,1]=4 291 B11R1.91 CN(C)CCC1=CC=CC=C1 CNP0261348.0 [1,0,0,0,1,0|2,0,0]=4 292 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 CNP0154609.1 [1,0,0,0,1,0|0,0,2]=4 293 B11R1.91 NC(=O)CCC1=CC=CC=C1 CNP0190126.0 [1,0,0,0,1,0|1,0,0]=3 294 B11R1.91 NC(=O)COC1=CC=CC=C1 CNP0071085.0 [1,0,0,0,1,0|2,0,0]=4 295 B11R1.91 NC(=O)NCC1=CC=CC=C1 CNP0071045.0 [1,0,0,0,1,0|2,0,0]=4 296 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 CNP0330120.0 [1,0,0,0,1,0|1,0,0]=3 297 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CNP0082220.0 [1,0,0,0,1,0|0,0,2]=4 298 B11R1.91 O=C(O)C=CC1=CC=CC=C1 CNP0390407.0 [1,0,0,0,1,0|0,0,2]=4 299 B11R1.91 O=C(O)CCC1=CC=CC=C1 CNP0298094.0 [1,0,0,0,1,0|0,0,0]=2 300 B11R1.91 O=C(O)CNC1=CC=CC=C1 CNP0458877.0 [1,0,0,0,1,0|1,0,0]=3 301 B11R1.91 O=C(O)COC1=CC=CC=C1 CNP0231951.0 [1,0,0,0,1,0|1,0,0]=3 302 B11R1.91 O=C(O)NCC1=CC=CC=C1 CNP0176098.0 [1,0,0,0,1,0|1,0,0]=3 303 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CNP0605764.0 [1,0,0,0,1,0|1,0,1]=4 304 B11R1.91 OB(O)CCC1=CC=CC=C1 CNP0528561.0 [1,0,0,0,1,0|1,0,1]=4 305 B11R1.172 CC(=O)CCCC1=CC=CO1 CNP0518396.0 [1,0,0,0,1,0|1,0,0]=3 306 B11R1.172 O=C(O)CCCC1=CC=CS1 CNP0560045.0 [1,0,0,0,1,0|1,0,0]=3 307 B11R1.25 CCC(=O)CCC1=CC=CO1 CNP0542215.0 [0,0,0,0,2,0|2,0,0]=4 308 B11R1.25 COC(=O)CCC1=CN=CN1 CNP0181741.0 [0,0,0,0,2,0|2,0,0]=4 309 B11R1.25 COC(=O)CCC1=CNC=N1 CNP0531960.0 [0,0,0,0,2,0|2,0,0]=4 310 B11R1.40 CCC(=O)CC1=CC=CC=C1 CNP0003461.0 [0,0,0,0,2,0|1,0,0]=3 311 B11R1.40 CCC(=O)NC1=CC=CC=C1 CNP0215971.0 [0,0,0,0,2,0|2,0,0]=4 312 B11R1.40 CCC(=O)OC1=CC=CC=C1 CNP0392371.0 [0,0,0,0,2,0|2,0,0]=4 313 B11R1.40 CNC(=O)CC1=CC=CC=C1 CNP0400808.0 [0,0,0,0,2,0|1,0,0]=3 314 B11R1.40 COC(=O)CC1=CC=CC=C1 CNP0328249.0 [0,0,0,0,2,0|0,0,0]=2 315 B11R1.40 COC(=S)NC1=CC=CC=C1 CNP0050030.0 [0,0,0,0,2,0|1,1,0]=4 316 B11R1.40 N#CC(=O)CC1=CC=CC=C1 CNP0017972.0 [0,0,0,0,2,0|2,0,0]=4 317 B11R1.40 NOC(=O)NC1=CC=CC=C1 CNP0579392.0 [0,0,0,0,2,0|2,0,0]=4 318 B11R1.40 O=C(CC1=CC=CC=C1)NO CNP0275698.0 [0,0,0,0,2,0|2,0,0]=4