0 B14R2.19 Cc1nc(no1)C[n+]2ccccc2 270196a_100000005419_100000070787 [0,0,0,0,0,0|3,0,1]=4 1 B14R2.19 Cc1nc(no1)Cc2ccccn2 270196a_100000210865_100000070787 [0,0,0,0,0,0|3,0,1]=4 2 B14R2.19 Cc1nc(no1)Cc2cccnc2 270196a_100011194494_100000070787 [0,0,0,0,0,0|3,0,1]=4 3 B14R2.19 Cc1nc(no1)Cc2ccncc2 270196a_100011206894_100000070787 [0,0,0,0,0,0|3,0,1]=4 4 B14R2.19 Cc1nc(no1)Nc2ccccc2 27a_100000106764_100012003639 [0,0,0,0,0,0|3,0,1]=4 5 B14R2.19 Cc1nc(no1)Sc2ccccc2 270196a_100011225313_100000070787 [0,0,0,0,0,0|3,0,1]=4 6 B14R2.19 Cc1nc(no1)Sc2ccccc2 62a_100000719477_100012003639 [0,0,0,0,0,0|3,0,1]=4 7 B14R2.19 Cc1nc(no1)Sc2ccccc2 62a_100012003639_100000041952 [0,0,0,0,0,0|3,0,1]=4 8 B14R2.19 Cc1nc(no1)[Se]c2ccccc2 270196a_100015229233_100000070787 [0,0,0,0,0,0|3,0,1]=4 9 B14R2.19 Nc1csc(n1)Sc2ccccc2 62a_100000719477_200015188442 [0,0,0,0,0,0|3,0,1]=4 10 B14R2.19 Nc1csc(n1)Sc2ccccc2 62a_200015188442_100000041952 [0,0,0,0,0,0|3,0,1]=4 11 B14R2.19 Nc1nc(cs1)Sc2ccccc2 62a_100000719477_100011998049 [0,0,0,0,0,0|1,1,2]=4 12 B14R2.19 Nc1nc(cs1)Sc2ccccc2 62a_100011998049_100000041952 [0,0,0,0,0,0|1,1,2]=4 13 B14R2.19 Nc1nc(n[nH]1)Sc2ccccc2 62a_100000719477_100015184587 [0,0,0,0,0,0|3,0,1]=4 14 B14R2.19 Nc1nc(n[nH]1)Sc2ccccc2 62a_100015184587_100000041952 [0,0,0,0,0,0|3,0,1]=4 15 B14R2.19 O=C1CN(CN1)Cc2ccccc2 2230a_200000708111_100015291786 [0,0,0,0,0,0|4,0,0]=4 16 B14R2.19 O=C1OCC(O1)Nc2ccccc2 34a_100000106764_100000032252 [0,0,0,0,0,0|3,0,0]=3 17 B14R2.19 O=C1OCC(O1)Oc2ccccc2 34a_100000210340_100000032252 [0,0,0,0,0,0|3,0,0]=3 18 B14R2.19 O=C1OCC(O1)Oc2cccnc2 34a_100000210849_100000032252 [0,0,0,0,0,0|4,0,0]=4 19 B14R2.19 O=C1OCC(O1)Oc2ccncc2 34a_100000212176_100000032252 [0,0,0,0,0,0|4,0,0]=4 20 B14R2.19 O=C1OCC(O1)Sc2ccccc2 62a_100000719477_100000032252 [0,0,0,0,0,0|3,0,0]=3 21 B14R2.19 O=C1OCC(O1)Sc2ccccn2 62a_100011216584_100000032252 [0,0,0,0,0,0|4,0,0]=4 22 B14R2.19 O=C1OCC(O1)Sc2cccnc2 62a_100000210063_100000032252 [0,0,0,0,0,0|4,0,0]=4 23 B14R2.19 O=C1OCC(O1)Sc2ccncc2 62a_100000728582_100000032252 [0,0,0,0,0,0|4,0,0]=4 24 B14R2.19 Oc1nc(no1)C[n+]2ccccc2 270196a_100000005419_100015183105 [0,0,0,0,0,0|3,0,1]=4 25 B14R2.19 Oc1nc(no1)Cc2ccccn2 270196a_100000210865_100015183105 [0,0,0,0,0,0|3,0,1]=4 26 B14R2.19 Oc1nc(no1)Cc2cccnc2 270196a_100011194494_100015183105 [0,0,0,0,0,0|3,0,1]=4 27 B14R2.19 Oc1nc(no1)Cc2ccncc2 270196a_100011206894_100015183105 [0,0,0,0,0,0|3,0,1]=4 28 B14R2.19 Oc1nc(no1)Sc2ccccc2 270196a_100011225313_100015183105 [0,0,0,0,0,0|3,0,1]=4 29 B14R2.19 Oc1nc(no1)[Se]c2ccccc2 270196a_100015229233_100015183105 [0,0,0,0,0,0|3,0,1]=4 30 B13R2.64 C1=CCN(C1)Cc2ccccc2 269982a_100015195280_100000211182 [1,0,0,0,0,0|3,0,0]=4 31 B13R2.64 c1ccc(cc1)NC2CCOC2 34a_100000106764_100000690089 [1,0,0,0,0,0|2,0,1]=4 32 B13R2.64 c1ccc(cc1)OC2CCOC2 34a_100000210340_100000690089 [1,0,0,0,0,0|2,0,1]=4 33 B13R2.64 c1ccc(cc1)OC2CCOC2 7a_100000210340_100000731011 [1,0,0,0,0,0|2,0,1]=4 34 B13R2.64 c1ccc(cc1)SC2CCOC2 62a_100000719477_100000690089 [1,0,0,0,0,0|2,0,1]=4 35 B15R2.98 Cc1ccc(cc1)Cc2noc(n2)C 270196a_100000739140_100000070787 [0,1,0,0,0,0|2,0,1]=4 36 B15R2.98 Cc1ccc(cc1)Cc2noc(n2)O 270196a_100000739140_100015183105 [0,1,0,0,0,0|2,0,1]=4 37 B15R2.98 Cc1ccc(cc1)NC2COC(=O)O2 34a_100000124888_100000032252 [0,1,0,0,0,0|3,0,0]=4 38 B15R2.98 Cc1ccc(cc1)OC2COC(=O)O2 34a_100000210336_100000032252 [0,1,0,0,0,0|3,0,0]=4 39 B15R2.98 Cc1ccc(cc1)SC2COC(=O)O2 62a_100000186775_100000032252 [0,1,0,0,0,0|3,0,0]=4 40 B15R2.98 Cc1nc(no1)Cc2ccc(cc2)Br 270196a_100000185875_100000070787 [0,1,0,0,0,0|2,0,1]=4 41 B15R2.98 Cc1nc(no1)Cc2ccc(cc2)Cl 270196a_100000188685_100000070787 [0,1,0,0,0,0|2,0,1]=4 42 B15R2.98 Cc1nc(no1)Cc2ccc(cc2)F 270196a_100000198600_100000070787 [0,1,0,0,0,0|2,0,1]=4 43 B15R2.98 Cc1nc(no1)Cc2ccc(cc2)I 270196a_100011217881_100000070787 [0,1,0,0,0,0|2,0,1]=4 44 B15R2.98 Nc1ccc(cc1)OC2COC(=O)O2 34a_100000185829_100000032252 [0,1,0,0,0,0|3,0,0]=4 45 B15R2.98 Nc1ccc(cc1)SC2COC(=O)O2 62a_100000185761_100000032252 [0,1,0,0,0,0|3,0,0]=4 46 B15R2.98 O=C1OCC(O1)Nc2ccc(cc2)Br 34a_100000210018_100000032252 [0,1,0,0,0,0|3,0,0]=4 47 B15R2.98 O=C1OCC(O1)Nc2ccc(cc2)Cl 34a_100000210052_100000032252 [0,1,0,0,0,0|3,0,0]=4 48 B15R2.98 O=C1OCC(O1)Nc2ccc(cc2)F 34a_100000185862_100000032252 [0,1,0,0,0,0|3,0,0]=4 49 B15R2.98 O=C1OCC(O1)Nc2ccc(cc2)I 34a_100000185761_100000032252 [0,1,0,0,0,0|3,0,0]=4 50 B15R2.98 O=C1OCC(O1)Nc2ccc(cc2)O 34a_100000185829_100000032252 [0,1,0,0,0,0|3,0,0]=4 51 B15R2.98 O=C1OCC(O1)Oc2ccc(cc2)Br 34a_100000185759_100000032252 [0,1,0,0,0,0|3,0,0]=4 52 B15R2.98 O=C1OCC(O1)Oc2ccc(cc2)Cl 34a_100000210216_100000032252 [0,1,0,0,0,0|3,0,0]=4 53 B15R2.98 O=C1OCC(O1)Oc2ccc(cc2)F 34a_100000210339_100000032252 [0,1,0,0,0,0|3,0,0]=4 54 B15R2.98 O=C1OCC(O1)Oc2ccc(cc2)I 34a_100000212066_100000032252 [0,1,0,0,0,0|3,0,0]=4 55 B15R2.98 O=C1OCC(O1)Sc2ccc(cc2)Br 62a_100000752885_100000032252 [0,1,0,0,0,0|3,0,0]=4 56 B15R2.98 O=C1OCC(O1)Sc2ccc(cc2)Cl 62a_100000755918_100000032252 [0,1,0,0,0,0|3,0,0]=4 57 B15R2.98 O=C1OCC(O1)Sc2ccc(cc2)F 62a_100000211213_100000032252 [0,1,0,0,0,0|3,0,0]=4 58 B15R2.98 Oc1nc(no1)Cc2ccc(cc2)Br 270196a_100000185875_100015183105 [0,1,0,0,0,0|2,0,1]=4 59 B15R2.98 Oc1nc(no1)Cc2ccc(cc2)Cl 270196a_100000188685_100015183105 [0,1,0,0,0,0|2,0,1]=4 60 B15R2.98 Oc1nc(no1)Cc2ccc(cc2)F 270196a_100000198600_100015183105 [0,1,0,0,0,0|2,0,1]=4 61 B15R2.98 Oc1nc(no1)Cc2ccc(cc2)I 270196a_100011217881_100015183105 [0,1,0,0,0,0|2,0,1]=4 62 B15R2.297 CC(c1ccccc1)c2noc(n2)O 270196a_100011215883_100015183105 [0,1,0,0,0,0|2,0,1]=4 63 B15R2.297 CN(c1ccccc1)C2COC(=O)O2 34a_100000210012_100000032252 [0,1,0,0,0,0|3,0,0]=4 64 B15R2.297 Cc1nc(no1)C(C)c2ccccc2 270196a_100011215883_100000070787 [0,1,0,0,0,0|2,0,1]=4 65 B15R2.305 Cc1ccccc1Cc2noc(n2)O 270196a_100000185101_100015183105 [0,1,0,0,0,0|2,0,1]=4 66 B15R2.305 Cc1ccccc1NC2COC(=O)O2 34a_100015192222_100000032252 [0,1,0,0,0,0|3,0,0]=4 67 B15R2.305 Cc1ccccc1OC2COC(=O)O2 34a_100000210338_100000032252 [0,1,0,0,0,0|3,0,0]=4 68 B15R2.305 Cc1ccccc1SC2COC(=O)O2 62a_100000210755_100000032252 [0,1,0,0,0,0|3,0,0]=4 69 B15R2.305 Cc1nc(no1)Cc2ccccc2Br 270196a_100011207960_100000070787 [0,1,0,0,0,0|2,0,1]=4 70 B15R2.305 Cc1nc(no1)Cc2ccccc2C 270196a_100000185101_100000070787 [0,1,0,0,0,0|2,0,1]=4 71 B15R2.305 Cc1nc(no1)Cc2ccccc2Cl 270196a_100000183744_100000070787 [0,1,0,0,0,0|2,0,1]=4 72 B15R2.305 Cc1nc(no1)Cc2ccccc2F 270196a_100000210937_100000070787 [0,1,0,0,0,0|2,0,1]=4 73 B15R2.305 Cc1nc(no1)Cc2ccccc2I 270196a_100000033512_100000070787 [0,1,0,0,0,0|2,0,1]=4 74 B15R2.305 Cc1nc(no1)Cc2ccccc2O 270196a_100000043107_100000070787 [0,1,0,0,0,0|2,0,1]=4 75 B15R2.305 Nc1ccccc1OC2COC(=O)O2 34a_100000185747_100000032252 [0,1,0,0,0,0|3,0,0]=4 76 B15R2.305 Nc1ccccc1SC2COC(=O)O2 62a_100000210017_100000032252 [0,1,0,0,0,0|3,0,0]=4 77 B15R2.305 O=C1OCC(O1)Nc2ccccc2Br 34a_100000210017_100000032252 [0,1,0,0,0,0|3,0,0]=4 78 B15R2.305 O=C1OCC(O1)Nc2ccccc2Cl 34a_100000185783_100000032252 [0,1,0,0,0,0|3,0,0]=4 79 B15R2.305 O=C1OCC(O1)Nc2ccccc2F 34a_100000210422_100000032252 [0,1,0,0,0,0|3,0,0]=4 80 B15R2.305 O=C1OCC(O1)Nc2ccccc2I 34a_100000210053_100000032252 [0,1,0,0,0,0|3,0,0]=4 81 B15R2.305 O=C1OCC(O1)Nc2ccccc2O 34a_100000185747_100000032252 [0,1,0,0,0,0|3,0,0]=4 82 B15R2.305 O=C1OCC(O1)Oc2ccccc2Br 34a_100000181306_100000032252 [0,1,0,0,0,0|3,0,0]=4 83 B15R2.305 O=C1OCC(O1)Oc2ccccc2Cl 34a_100000210172_100000032252 [0,1,0,0,0,0|3,0,0]=4 84 B15R2.305 O=C1OCC(O1)Oc2ccccc2F 34a_100000210171_100000032252 [0,1,0,0,0,0|3,0,0]=4 85 B15R2.305 O=C1OCC(O1)Oc2ccccc2I 34a_100000739446_100000032252 [0,1,0,0,0,0|3,0,0]=4 86 B15R2.305 O=C1OCC(O1)Sc2ccccc2Br 62a_100000695589_100000032252 [0,1,0,0,0,0|3,0,0]=4 87 B15R2.305 O=C1OCC(O1)Sc2ccccc2Cl 62a_100000764095_100000032252 [0,1,0,0,0,0|3,0,0]=4 88 B15R2.305 O=C1OCC(O1)Sc2ccccc2F 62a_100011215700_100000032252 [0,1,0,0,0,0|3,0,0]=4 89 B15R2.305 O=C1OCC(O1)Sc2ccccc2O 62a_100000739446_100000032252 [0,1,0,0,0,0|3,0,0]=4 90 B15R2.305 Oc1nc(no1)Cc2ccccc2Br 270196a_100011207960_100015183105 [0,1,0,0,0,0|2,0,1]=4 91 B15R2.305 Oc1nc(no1)Cc2ccccc2Cl 270196a_100000183744_100015183105 [0,1,0,0,0,0|2,0,1]=4 92 B15R2.305 Oc1nc(no1)Cc2ccccc2F 270196a_100000210937_100015183105 [0,1,0,0,0,0|2,0,1]=4 93 B15R2.305 Oc1nc(no1)Cc2ccccc2I 270196a_100000033512_100015183105 [0,1,0,0,0,0|2,0,1]=4 94 B15R2.305 Oc1nc(no1)Cc2ccccc2O 270196a_100000043107_100015183105 [0,1,0,0,0,0|2,0,1]=4 95 B15R2.1115 Cc1cccc(c1)Cc2noc(n2)C 270196a_100011206897_100000070787 [0,1,0,0,0,0|2,0,1]=4 96 B15R2.1115 Cc1cccc(c1)Cc2noc(n2)O 270196a_100011206897_100015183105 [0,1,0,0,0,0|2,0,1]=4 97 B15R2.1115 Cc1cccc(c1)NC2COC(=O)O2 34a_100000188690_100000032252 [0,1,0,0,0,0|3,0,0]=4 98 B15R2.1115 Cc1cccc(c1)OC2COC(=O)O2 34a_100000210337_100000032252 [0,1,0,0,0,0|3,0,0]=4 99 B15R2.1115 Cc1cccc(c1)SC2COC(=O)O2 62a_100011215228_100000032252 [0,1,0,0,0,0|3,0,0]=4 100 B15R2.1115 Cc1nc(no1)Cc2cccc(c2)Br 270196a_100000739425_100000070787 [0,1,0,0,0,0|2,0,1]=4 101 B15R2.1115 Cc1nc(no1)Cc2cccc(c2)Cl 270196a_100000185102_100000070787 [0,1,0,0,0,0|2,0,1]=4 102 B15R2.1115 Cc1nc(no1)Cc2cccc(c2)F 270196a_100000211109_100000070787 [0,1,0,0,0,0|2,0,1]=4 103 B15R2.1115 Cc1nc(no1)Cc2cccc(c2)I 270196a_100000034040_100000070787 [0,1,0,0,0,0|2,0,1]=4 104 B15R2.1115 Cc1nc(no1)Cc2cccc(c2)O 270196a_100000696680_100000070787 [0,1,0,0,0,0|2,0,1]=4 105 B15R2.1115 Nc1cccc(c1)OC2COC(=O)O2 34a_100000210217_100000032252 [0,1,0,0,0,0|3,0,0]=4 106 B15R2.1115 Nc1cccc(c1)SC2COC(=O)O2 62a_100000210019_100000032252 [0,1,0,0,0,0|3,0,0]=4 107 B15R2.1115 O=C1OCC(O1)Nc2cccc(c2)Br 34a_100000210019_100000032252 [0,1,0,0,0,0|3,0,0]=4 108 B15R2.1115 O=C1OCC(O1)Nc2cccc(c2)Cl 34a_100000185859_100000032252 [0,1,0,0,0,0|3,0,0]=4 109 B15R2.1115 O=C1OCC(O1)Nc2cccc(c2)F 34a_100000210047_100000032252 [0,1,0,0,0,0|3,0,0]=4 110 B15R2.1115 O=C1OCC(O1)Nc2cccc(c2)I 34a_100000211102_100000032252 [0,1,0,0,0,0|3,0,0]=4 111 B15R2.1115 O=C1OCC(O1)Nc2cccc(c2)O 34a_100000210217_100000032252 [0,1,0,0,0,0|3,0,0]=4 112 B15R2.1115 O=C1OCC(O1)Oc2cccc(c2)Br 34a_100000210342_100000032252 [0,1,0,0,0,0|3,0,0]=4 113 B15R2.1115 O=C1OCC(O1)Oc2cccc(c2)Cl 34a_100000210295_100000032252 [0,1,0,0,0,0|3,0,0]=4 114 B15R2.1115 O=C1OCC(O1)Oc2cccc(c2)F 34a_100000210426_100000032252 [0,1,0,0,0,0|3,0,0]=4 115 B15R2.1115 O=C1OCC(O1)Oc2cccc(c2)I 34a_100000211634_100000032252 [0,1,0,0,0,0|3,0,0]=4 116 B15R2.1115 O=C1OCC(O1)Sc2cccc(c2)Br 62a_100000691529_100000032252 [0,1,0,0,0,0|3,0,0]=4 117 B15R2.1115 O=C1OCC(O1)Sc2cccc(c2)Cl 62a_100000699651_100000032252 [0,1,0,0,0,0|3,0,0]=4 118 B15R2.1115 O=C1OCC(O1)Sc2cccc(c2)F 62a_100000685547_100000032252 [0,1,0,0,0,0|3,0,0]=4 119 B15R2.1115 O=C1OCC(O1)Sc2cccc(c2)[S] 62a_114929384022_100000032252 [0,1,0,0,0,0|3,0,0]=4 120 B15R2.1115 Oc1cccc(c1)Cc2noc(n2)O 270196a_100000696680_100015183105 [0,1,0,0,0,0|2,0,1]=4 121 B15R2.1115 Oc1nc(no1)Cc2cccc(c2)Br 270196a_100000739425_100015183105 [0,1,0,0,0,0|2,0,1]=4 122 B15R2.1115 Oc1nc(no1)Cc2cccc(c2)Cl 270196a_100000185102_100015183105 [0,1,0,0,0,0|2,0,1]=4 123 B15R2.1115 Oc1nc(no1)Cc2cccc(c2)F 270196a_100000211109_100015183105 [0,1,0,0,0,0|2,0,1]=4 124 B15R2.1115 Oc1nc(no1)Cc2cccc(c2)I 270196a_100000034040_100015183105 [0,1,0,0,0,0|2,0,1]=4 125 B13R1.43 C=CC=CC(=O)CC1COC(=O)O1 1458a_100016291481_100000073702 [0,0,1,0,0,0|3,0,0]=4 126 B13R1.43 C=CC=CC(=O)C[C@H]1COC(=O)N1 1458a_100016291481_100015307671 [0,0,1,0,0,0|2,0,1]=4 127 B13R1.44 CC(COCF)Cc1ccccc1 34a_100012125295_100015361967 [0,0,1,0,0,0|2,0,1]=4 128 B13R1.44 CC(COCF)Cc1ccccc1 7a_100012125295_100015361967 [0,0,1,0,0,0|2,0,1]=4 129 B13R1.44 CCOCC(C)Cc1ccccc1 34a_100012125295_100000210202 [0,0,1,0,0,0|2,0,1]=4 130 B13R1.44 CCOCC(C)Cc1ccccc1 7a_100012125295_100000210202 [0,0,1,0,0,0|2,0,1]=4 131 B13R1.44 CCOCC(N)Cc1ccccc1 34a_100000739027_100000210202 [0,0,1,0,0,0|1,0,2]=4 132 B13R1.44 CCOC[C@@H](O)Cc1ccccc1 34a_100121572206_100000729385 [0,0,1,0,0,0|2,0,1]=4 133 B13R1.44 NC(COCF)Cc1ccccc1 34a_100000739027_100015361967 [0,0,1,0,0,0|1,0,2]=4 134 B13R1.79 CCNC(CO)Cc1ccccc1 2230a_100000739027_100000210202 [0,0,1,0,0,0|1,0,2]=4 135 B13R1.79 CNCC(CO)Cc1ccccc1 34a_100160572655_200000210301 [0,0,1,0,0,0|3,0,0]=4 136 B13R1.79 [13CH3]NCC(CO)Cc1ccccc1 34a_100160572655_200025704644 [0,0,1,0,0,0|3,0,0]=4 137 B13R1.337 CC(=O)CCCCc1ccccc1 1458a_100000070787_100000701786 [0,0,1,0,0,0|3,0,0]=4 138 B13R1.337 CC(=O)CCCCc1ccccc1 1458a_100011215911_200000210301 [0,0,1,0,0,0|3,0,0]=4 139 B13R1.337 CC(=O)NCCCc1ccccc1 11a_100000211184_100015343762 [0,0,1,0,0,0|3,0,0]=4 140 B13R1.337 CC(=O)NCCCc1ccccc1 1626a_100000211184_100015343762 [0,0,1,0,0,0|3,0,0]=4 141 B13R1.337 CC(=O)NCCCc1ccccc1 240690a_100000211184_100015343762 [0,0,1,0,0,0|3,0,0]=4 142 B13R1.337 CC(=O)NCCCc1ccccc1 527a_100000211184_100103153847 [0,0,1,0,0,0|3,0,0]=4 143 B13R1.337 CC(=O)OCCNc1ccccc1 34a_100000106764_100009814007 [0,0,1,0,0,0|3,0,0]=4 144 B13R1.337 CC(=O)OCCOc1ccccc1 34a_100000210340_100009814007 [0,0,1,0,0,0|3,0,0]=4 145 B13R1.337 CC(=O)OCCOc1ccccc1 7a_100000210340_100009814007 [0,0,1,0,0,0|3,0,0]=4 146 B13R1.337 CC(=O)OCCSc1ccccc1 62a_100000719477_100009814007 [0,0,1,0,0,0|3,0,0]=4 147 B13R1.337 CC(=O)OCCSc1ccccc1 62a_100009814007_100000041952 [0,0,1,0,0,0|3,0,0]=4 148 B13R1.337 CC(=O)OCNCc1ccccc1 34a_100015324214_100009813279 [0,0,1,0,0,0|3,0,0]=4 149 B13R1.337 CC(=O)OCOCc1ccccc1 34a_100000210790_100009813279 [0,0,1,0,0,0|3,0,0]=4 150 B13R1.337 CC(=O)OCSCc1ccccc1 62a_100000076356_100015291786 [0,0,1,0,0,0|3,0,0]=4 151 B13R1.337 CC(=O)OCSCc1ccccc1 62a_100000211182_100000076356 [0,0,1,0,0,0|3,0,0]=4 152 B13R1.337 CC(C)OCCCc1ccccc1 34a_100000210828_100000210206 [0,0,1,0,0,0|2,0,1]=4 153 B13R1.337 CC(C)OCCCc1ccccc1 34a_100000212225_100000211621 [0,0,1,0,0,0|2,0,1]=4 154 B13R1.337 CC(C)OCCCc1ccccc1 7a_100000210828_100000210206 [0,0,1,0,0,0|2,0,1]=4 155 B13R1.337 NC(=O)CCCNc1ccccc1 34a_100000106764_100102525003 [0,0,1,0,0,0|3,0,0]=4 156 B13R1.337 NC(=O)CCCOc1ccccc1 34a_100000210340_100102525003 [0,0,1,0,0,0|3,0,0]=4 157 B13R1.337 NC(=O)CCCOc1ccccc1 7a_100000210340_100102525003 [0,0,1,0,0,0|3,0,0]=4 158 B13R1.337 NC(=O)CCCSc1ccccc1 62a_100000719477_100102525003 [0,0,1,0,0,0|3,0,0]=4 159 B13R1.337 NC(=O)CCCSc1ccccc1 62a_100102525003_100000041952 [0,0,1,0,0,0|3,0,0]=4 160 B13R1.337 NC(=O)CCNCc1ccccc1 207a_100000740010_100015611070 [0,0,1,0,0,0|3,0,0]=4 161 B13R1.337 NC(=O)CCNCc1ccccc1 2230a_100015324214_100000744528 [0,0,1,0,0,0|3,0,0]=4 162 B13R1.337 NC(=O)CCNCc1ccccc1 34a_100015324214_100000731001 [0,0,1,0,0,0|3,0,0]=4 163 B13R1.337 NC(=O)CCOCc1ccccc1 34a_100000210790_100000731001 [0,0,1,0,0,0|3,0,0]=4 164 B13R1.337 NC(=O)CCOCc1ccccc1 34a_100000757172_100015291786 [0,0,1,0,0,0|3,0,0]=4 165 B13R1.337 NC(=O)CCOCc1ccccc1 7a_100000210790_100000744528 [0,0,1,0,0,0|3,0,0]=4 166 B13R1.337 NC(=O)CCOCc1ccccc1 7a_100000757172_100000211182 [0,0,1,0,0,0|3,0,0]=4 167 B13R1.337 NC(=O)CCSCc1ccccc1 62a_100000211182_100000744528 [0,0,1,0,0,0|3,0,0]=4 168 B13R1.337 NC(=O)CCSCc1ccccc1 62a_100000744528_100015291786 [0,0,1,0,0,0|3,0,0]=4 169 B13R1.337 NC(=O)CNCCc1ccccc1 2230a_100000106460_100000747473 [0,0,1,0,0,0|3,0,0]=4 170 B13R1.337 NC(=O)CNCCc1ccccc1 2230a_100000711301_100000765856 [0,0,1,0,0,0|3,0,0]=4 171 B13R1.337 NC(=O)CNCCc1ccccc1 34a_100000106460_100000187820 [0,0,1,0,0,0|3,0,0]=4 172 B13R1.337 NC(=O)COCCc1ccccc1 34a_100000210268_100000187820 [0,0,1,0,0,0|3,0,0]=4 173 B13R1.337 NC(=O)COCCc1ccccc1 7a_100000210268_100000187820 [0,0,1,0,0,0|3,0,0]=4 174 B13R1.337 NC(=O)CSCCc1ccccc1 62a_100000747473_100011218657 [0,0,1,0,0,0|3,0,0]=4 175 B13R1.337 NC(=O)CSCCc1ccccc1 62a_100000765856_100000747473 [0,0,1,0,0,0|3,0,0]=4 176 B13R1.337 NC(=O)NCCOc1ccccc1 7a_100000210340_200000034859 [0,0,1,0,0,0|3,0,0]=4 177 B13R1.337 NC(=O)NCCSc1ccccc1 62a_100000719477_200000034859 [0,0,1,0,0,0|3,0,0]=4 178 B13R1.337 NC(=O)NCCSc1ccccc1 62a_200000034859_100000041952 [0,0,1,0,0,0|3,0,0]=4 179 B13R1.337 NC(=O)OCCNc1ccccc1 34a_100000106764_200011214921 [0,0,1,0,0,0|2,0,0]=3 180 B13R1.337 NC(=O)OCCOc1ccccc1 34a_100000210340_200011214921 [0,0,1,0,0,0|2,0,0]=3 181 B13R1.337 NC(=O)OCCOc1ccccc1 7a_100000210340_200011214921 [0,0,1,0,0,0|2,0,0]=3 182 B13R1.337 NC(=O)OCCOc1cccnc1 34a_100000210849_200011214921 [0,0,1,0,0,0|3,0,0]=4 183 B13R1.337 NC(=O)OCCOc1cccnc1 7a_100000210849_200011214921 [0,0,1,0,0,0|3,0,0]=4 184 B13R1.337 NC(=O)OCCOc1ccncc1 34a_100000212176_200011214921 [0,0,1,0,0,0|3,0,0]=4 185 B13R1.337 NC(=O)OCCSc1ccccc1 62a_100000719477_200011214921 [0,0,1,0,0,0|2,0,0]=3 186 B13R1.337 NC(=O)OCCSc1ccccc1 62a_200011214921_100000041952 [0,0,1,0,0,0|2,0,0]=3 187 B13R1.337 NC(=O)OCCSc1ccccn1 62a_100011216584_200011214921 [0,0,1,0,0,0|3,0,0]=4 188 B13R1.337 NC(=O)OCCSc1ccccn1 62a_200011214921_100011216584 [0,0,1,0,0,0|3,0,0]=4 189 B13R1.337 NC(=O)OCCSc1cccnc1 62a_100000210063_200011214921 [0,0,1,0,0,0|3,0,0]=4 190 B13R1.337 NC(=O)OCCSc1cccnc1 62a_200011214921_100000210063 [0,0,1,0,0,0|3,0,0]=4 191 B13R1.337 NC(=O)OCCSc1ccncc1 62a_100000728582_200011214921 [0,0,1,0,0,0|3,0,0]=4 192 B13R1.337 NC(=O)OCCSc1ccncc1 62a_200011214921_100000728582 [0,0,1,0,0,0|3,0,0]=4 193 B13R1.337 [13CH3]C(=O)CCCCc1ccccc1 1458a_100011215911_200025704644 [0,0,1,0,0,0|3,0,0]=4 194 B13R1.348 CN(CC(=O)N)Cc1ccccc1 2230a_100000186898_100000747473 [0,0,1,0,0,0|2,0,1]=4 195 B13R1.348 CN(CC(=O)N)Cc1ccccc1 2230a_100000739694_100015291786 [0,0,1,0,0,0|2,0,1]=4 196 B13R1.348 CN(CC(=O)N)Cc1ccccc1 269982a_100000186898_100000187820 [0,0,1,0,0,0|2,0,1]=4 197 B13R1.348 CN(CC(=O)N)Cc1ccccc1 270004a_100000739694_100015611070 [0,0,1,0,0,0|2,0,1]=4 198 B13R1.348 CN(CC(=O)O)Cc1ccccc1 269956a_100000745947_200000210301 [0,0,1,0,0,0|3,0,0]=4 199 B13R1.348 CN(CC(=O)O)Cc1ccccc1 269956a_100000746989_100015291786 [0,0,1,0,0,0|3,0,0]=4 200 B13R1.348 [13CH3]N(CC(=O)O)Cc1ccccc1 269956a_100000745947_200025704644 [0,0,1,0,0,0|3,0,0]=4 201 B13R1.718 CCC(=O)CCCc1ccccc1 1458a_100000210414_100000211621 [0,0,1,0,0,0|3,0,0]=4 202 B13R1.718 CCC(=O)CCCc1ccccc1 1458a_100011207963_100000210202 [0,0,1,0,0,0|3,0,0]=4 203 B13R1.718 CCC(=O)NCCc1ccccc1 11a_100000106460_100000210414 [0,0,1,0,0,0|2,0,1]=4 204 B13R1.718 CCC(=O)NCCc1ccccc1 1626a_100000106460_100000210414 [0,0,1,0,0,0|2,0,1]=4 205 B13R1.718 CCC(=O)NCCc1ccccc1 240690a_100000106460_100000210414 [0,0,1,0,0,0|2,0,1]=4 206 B13R1.718 CCC(=O)NCCc1ccccc1 527a_100000106460_100000210414 [0,0,1,0,0,0|2,0,1]=4 207 B13R1.718 CNC(=O)CCCc1ccccc1 11a_106832991635_100011207963 [0,0,1,0,0,0|3,0,0]=4 208 B13R1.718 CNC(=O)CCCc1ccccc1 1626a_100102657272_100011207963 [0,0,1,0,0,0|3,0,0]=4 209 B13R1.718 CNC(=O)CCCc1ccccc1 240690a_100102657272_100011207963 [0,0,1,0,0,0|3,0,0]=4 210 B13R1.718 CNC(=O)CCCc1ccccc1 527a_100102657272_100011207963 [0,0,1,0,0,0|3,0,0]=4 211 B13R1.718 CNC(=O)NCCc1ccccc1 2708a_100000106460_106832991635 [0,0,1,0,0,0|2,0,1]=4 212 B13R1.718 CNC(=O)NCCc1ccccc1 2708a_100102657272_100000106460 [0,0,1,0,0,0|2,0,1]=4 213 B13R1.718 CNC(=O)NCCc1ccccc1 273464a_100000106460_100102657272 [0,0,1,0,0,0|2,0,1]=4 214 B13R1.718 CNC(=O)NCCc1ccccc1 273464a_100102657272_100000106460 [0,0,1,0,0,0|2,0,1]=4 215 B13R1.718 CNC(=O)NCCc1ccccc1 512a_100000106460_100102657272 [0,0,1,0,0,0|2,0,1]=4 216 B13R1.718 CNC(=O)NCCc1ccccc1 512a_106832991638_100000106460 [0,0,1,0,0,0|2,0,1]=4 217 B13R1.718 COC(=O)CCNc1ccccc1 34a_100000106764_100000742370 [0,0,1,0,0,0|3,0,0]=4 218 B13R1.718 COC(=O)CCOc1ccccc1 34a_100000210340_100000742370 [0,0,1,0,0,0|3,0,0]=4 219 B13R1.718 COC(=O)CCOc1ccccc1 7a_100000210340_100000204255 [0,0,1,0,0,0|3,0,0]=4 220 B13R1.718 COC(=O)CCSc1ccccc1 62a_100000204255_100000041952 [0,0,1,0,0,0|3,0,0]=4 221 B13R1.718 COC(=O)CCSc1ccccc1 62a_100000719477_100000204255 [0,0,1,0,0,0|3,0,0]=4 222 B13R1.718 COC(=O)CNCc1ccccc1 2230a_100015324214_100000747449 [0,0,1,0,0,0|3,0,0]=4 223 B13R1.718 COC(=O)CNCc1ccccc1 34a_100015324214_100000747449 [0,0,1,0,0,0|3,0,0]=4 224 B13R1.718 COC(=O)COCc1ccccc1 34a_100000210790_100000747449 [0,0,1,0,0,0|3,0,0]=4 225 B13R1.718 COC(=O)COCc1ccccc1 7a_100000210790_100000747449 [0,0,1,0,0,0|3,0,0]=4 226 B13R1.718 COC(=O)CSCc1ccccc1 62a_100000211182_100000747449 [0,0,1,0,0,0|3,0,0]=4 227 B13R1.718 COC(=O)CSCc1ccccc1 62a_100000747449_100015291786 [0,0,1,0,0,0|3,0,0]=4 228 B13R1.718 COC(=O)OCSc1ccccc1 62a_100000719477_100000139417 [0,0,1,0,0,0|3,0,0]=4 229 B13R1.718 COC(C)CCCc1ccccc1 34a_100138415774_200010759516 [0,0,1,0,0,0|2,0,1]=4 230 B13R1.718 COC(C)SCCc1ccccc1 62a_100000765856_100009879195 [0,0,1,0,0,0|2,0,1]=4 231 B13R1.718 COC(C)SCCc1ccccc1 62a_100009879195_100011218657 [0,0,1,0,0,0|2,0,1]=4 232 B13R2.10 Cc1nc(no1)c2ccccc2 270196a_100000210280_100000070787 [0,0,0,0,1,0|2,0,1]=4 233 B13R2.10 Cc1nc(no1)c2ccccc2 271570a_100011218836_100012003639 [0,0,0,0,1,0|2,0,1]=4 234 B13R2.10 Nc1csc(n1)c2ccccc2 271570a_100011218836_200015188442 [0,0,0,0,1,0|2,0,1]=4 235 B13R2.10 Nc1nc(cs1)c2ccccc2 271570a_100011218836_100011998049 [0,0,0,0,1,0|0,1,2]=4 236 B13R2.10 Nc1nc(n[nH]1)c2ccccc2 271570a_100011218836_100015184587 [0,0,0,0,1,0|2,0,1]=4 237 B13R2.10 Oc1nc(no1)c2ccccc2 270196a_100000210280_100015183105 [0,0,0,0,1,0|2,0,1]=4 238 B13R2.27 O=C1CCC1Nc2ccccc2 34a_100000106764_100009892977 [0,0,0,0,1,0|3,0,0]=4 239 B13R2.27 O=C1CCC1Oc2ccccc2 34a_100000210340_100009892977 [0,0,0,0,1,0|3,0,0]=4 240 B13R2.27 O=C1CCC1Oc2ccccc2 7a_100000210340_100009892977 [0,0,0,0,1,0|3,0,0]=4 241 B13R2.27 O=C1CCC1Sc2ccccc2 62a_100000719477_100009892977 [0,0,0,0,1,0|3,0,0]=4 242 B13R2.27 O=C1CCC1Sc2ccccc2 62a_100009892977_100000041952 [0,0,0,0,1,0|3,0,0]=4 243 B13R2.31 O=C1CC(C1)Sc2ccccc2 62a_100009894365_100000041952 [0,0,0,0,1,0|3,0,0]=4 244 B15R2.31 O=C1CN(CCO1)Cc2ccccc2 2230a_100000131268_100015291786 [0,0,0,0,0,1|3,0,0]=4 245 B15R2.31 O=C1CN(CCO1)Cc2ccccc2 270004a_100000131268_100015611070 [0,0,0,0,0,1|3,0,0]=4 246 B15R2.283 Cc1nc(co1)CNc2ccccc2 207a_100000106764_100011361629 [0,0,0,0,0,1|1,0,2]=4 247 B15R2.283 Cc1nc(no1)CCc2ccccc2 270196a_100000212256_100000070787 [0,0,0,0,0,1|2,0,1]=4 248 B15R2.283 Cc1nc(no1)CNc2ccccc2 34a_100000106764_100000231061 [0,0,0,0,0,1|2,0,1]=4 249 B15R2.283 Cc1nc(no1)COc2ccccc2 270196a_100000169432_100000070787 [0,0,0,0,0,1|2,0,1]=4 250 B15R2.283 Cc1nc(no1)COc2ccccc2 34a_100000210340_100000231061 [0,0,0,0,0,1|2,0,1]=4 251 B15R2.283 Cc1nc(no1)COc2ccccc2 7a_100000210340_100000231061 [0,0,0,0,0,1|2,0,1]=4 252 B15R2.283 Cc1nc(no1)CSc2ccccc2 270196a_100000150715_100000070787 [0,0,0,0,0,1|2,0,1]=4 253 B15R2.283 Cc1nc(no1)CSc2ccccc2 62a_100000231061_100000041952 [0,0,0,0,0,1|2,0,1]=4 254 B15R2.283 Cc1nc(no1)CSc2ccccc2 62a_100000719477_100000231061 [0,0,0,0,0,1|2,0,1]=4 255 B15R2.283 Cc1nc(no1)NCc2ccccc2 27a_100015324214_100012003639 [0,0,0,0,0,1|2,0,1]=4 256 B15R2.283 Cc1nc(no1)SCc2ccccc2 62a_100000211182_100012003639 [0,0,0,0,0,1|2,0,1]=4 257 B15R2.283 Cc1nc(no1)SCc2ccccc2 62a_100012003639_100015291786 [0,0,0,0,0,1|2,0,1]=4 258 B15R2.283 Nc1csc(n1)SCc2ccccc2 62a_100000211182_200015188442 [0,0,0,0,0,1|2,0,1]=4 259 B15R2.283 Nc1csc(n1)SCc2ccccc2 62a_200015188442_100015291786 [0,0,0,0,0,1|2,0,1]=4 260 B15R2.283 Nc1nc(cs1)SCc2ccccc2 62a_100000211182_100011998049 [0,0,0,0,0,1|0,1,2]=4 261 B15R2.283 Nc1nc(cs1)SCc2ccccc2 62a_100011998049_100015291786 [0,0,0,0,0,1|0,1,2]=4 262 B15R2.283 Nc1nc(n[nH]1)SCc2ccccc2 62a_100000211182_100015184587 [0,0,0,0,0,1|2,0,1]=4 263 B15R2.283 Nc1nc(n[nH]1)SCc2ccccc2 62a_100015184587_100015291786 [0,0,0,0,0,1|2,0,1]=4 264 B15R2.283 O=C1C=C(CO1)CNc2ccccc2 34a_100000106764_100000716558 [0,0,0,0,0,1|2,0,1]=4 265 B15R2.283 O=C1C=C(CO1)COc2ccccc2 34a_100000210340_100000716558 [0,0,0,0,0,1|2,0,1]=4 266 B15R2.283 O=C1C=C(CO1)CSc2ccccc2 62a_100000716558_100000041952 [0,0,0,0,0,1|2,0,1]=4 267 B15R2.283 O=C1C=C(CO1)CSc2ccccc2 62a_100000719477_100000716558 [0,0,0,0,0,1|2,0,1]=4 268 B15R2.283 O=C1CC(CN1)NCc2ccccc2 207a_100000697751_100015611070 [0,0,0,0,0,1|3,0,0]=4 269 B15R2.283 O=C1CC(CN1)NCc2ccccc2 2230a_100000697751_100015291786 [0,0,0,0,0,1|3,0,0]=4 270 B15R2.283 O=C1CC(CN1)OCc2ccccc2 34a_100000690082_100015291786 [0,0,0,0,0,1|3,0,0]=4 271 B15R2.283 O=C1CCC(C1)OCc2ccccc2 34a_100012614533_100015291786 [0,0,0,0,0,1|3,0,0]=4 272 B15R2.283 O=C1CC[C@H](N1)COc2ccccc2 7a_100000210340_100015189358 [0,0,0,0,0,1|2,0,1]=4 273 B15R2.283 O=C1CC[C@H](N1)CSc2ccccc2 62a_100000719477_100015189358 [0,0,0,0,0,1|2,0,1]=4 274 B15R2.283 O=C1CC[C@H](N1)CSc2ccccc2 62a_100015189358_100000041952 [0,0,0,0,0,1|2,0,1]=4 275 B15R2.283 O=C1NCC(O1)CNc2ccccc2 34a_100000106764_100000181169 [0,0,0,0,0,1|3,0,0]=4 276 B15R2.283 O=C1NCC(O1)COc2ccccc2 34a_100000210340_100000181169 [0,0,0,0,0,1|3,0,0]=4 277 B15R2.283 O=C1NCC(O1)COc2ccccc2 7a_100000210340_100000181169 [0,0,0,0,0,1|3,0,0]=4 278 B15R2.283 O=C1NCC(O1)CSc2ccccc2 62a_100000181169_100000041952 [0,0,0,0,0,1|3,0,0]=4 279 B15R2.283 O=C1NCC(O1)CSc2ccccc2 62a_100000719477_100000181169 [0,0,0,0,0,1|3,0,0]=4 280 B15R2.283 O=C1N[C@H](CO1)CNc2ccccc2 34a_100000106764_100015307671 [0,0,0,0,0,1|1,0,1]=3 281 B15R2.283 O=C1N[C@H](CO1)COc2ccccc2 34a_100000210340_100015307671 [0,0,0,0,0,1|1,0,1]=3 282 B15R2.283 O=C1N[C@H](CO1)COc2ccccc2 7a_100000210340_100015307671 [0,0,0,0,0,1|1,0,1]=3 283 B15R2.283 O=C1N[C@H](CO1)COc2cccnc2 34a_100000210849_100015307671 [0,0,0,0,0,1|2,0,1]=4 284 B15R2.283 O=C1N[C@H](CO1)COc2cccnc2 7a_100000210849_100015307671 [0,0,0,0,0,1|2,0,1]=4 285 B15R2.283 O=C1N[C@H](CO1)COc2ccncc2 34a_100000212176_100015307671 [0,0,0,0,0,1|2,0,1]=4 286 B15R2.283 O=C1N[C@H](CO1)CSc2ccccc2 62a_100000719477_100015307671 [0,0,0,0,0,1|1,0,1]=3 287 B15R2.283 O=C1N[C@H](CO1)CSc2ccccc2 62a_100015307671_100000041952 [0,0,0,0,0,1|1,0,1]=3 288 B15R2.283 O=C1N[C@H](CO1)CSc2ccccn2 62a_100011216584_100015307671 [0,0,0,0,0,1|2,0,1]=4 289 B15R2.283 O=C1N[C@H](CO1)CSc2ccccn2 62a_100015307671_100011216584 [0,0,0,0,0,1|2,0,1]=4 290 B15R2.283 O=C1N[C@H](CO1)CSc2cccnc2 62a_100000210063_100015307671 [0,0,0,0,0,1|2,0,1]=4 291 B15R2.283 O=C1N[C@H](CO1)CSc2cccnc2 62a_100015307671_100000210063 [0,0,0,0,0,1|2,0,1]=4 292 B15R2.283 O=C1N[C@H](CO1)CSc2ccncc2 62a_100000728582_100015307671 [0,0,0,0,0,1|2,0,1]=4 293 B15R2.283 O=C1N[C@H](CO1)CSc2ccncc2 62a_100015307671_100000728582 [0,0,0,0,0,1|2,0,1]=4 294 B15R2.283 O=C1OCC(O1)CNc2ccccc2 34a_100000106764_100000073702 [0,0,0,0,0,1|2,0,0]=3 295 B15R2.283 O=C1OCC(O1)COc2ccccc2 34a_100000210340_100000073702 [0,0,0,0,0,1|2,0,0]=3 296 B15R2.283 O=C1OCC(O1)COc2cccnc2 34a_100000210849_100000073702 [0,0,0,0,0,1|3,0,0]=4 297 B15R2.283 O=C1OCC(O1)COc2ccncc2 34a_100000212176_100000073702 [0,0,0,0,0,1|3,0,0]=4 298 B15R2.283 O=C1OCC(O1)CSc2ccccc2 62a_100000073702_100000041952 [0,0,0,0,0,1|2,0,0]=3 299 B15R2.283 O=C1OCC(O1)CSc2ccccc2 62a_100000719477_100000073702 [0,0,0,0,0,1|2,0,0]=3 300 B15R2.283 O=C1OCC(O1)CSc2ccccn2 62a_100000073702_100011216584 [0,0,0,0,0,1|3,0,0]=4 301 B15R2.283 O=C1OCC(O1)CSc2ccccn2 62a_100011216584_100000073702 [0,0,0,0,0,1|3,0,0]=4 302 B15R2.283 O=C1OCC(O1)CSc2cccnc2 62a_100000073702_100000210063 [0,0,0,0,0,1|3,0,0]=4 303 B15R2.283 O=C1OCC(O1)CSc2cccnc2 62a_100000210063_100000073702 [0,0,0,0,0,1|3,0,0]=4 304 B15R2.283 O=C1OCC(O1)CSc2ccncc2 62a_100000073702_100000728582 [0,0,0,0,0,1|3,0,0]=4 305 B15R2.283 O=C1OCC(O1)CSc2ccncc2 62a_100000728582_100000073702 [0,0,0,0,0,1|3,0,0]=4 306 B15R2.283 O=C1OCC(O1)NCc2ccccc2 34a_100015324214_100000032252 [0,0,0,0,0,1|2,0,0]=3 307 B15R2.283 O=C1OCC(O1)OCc2ccccc2 34a_100000210790_100000032252 [0,0,0,0,0,1|2,0,0]=3 308 B15R2.283 O=C1OCC(O1)SCc2ccccc2 62a_100000211182_100000032252 [0,0,0,0,0,1|2,0,0]=3 309 B15R2.283 O=C1OCC(O1)SCc2ccccn2 62a_100000721315_100000032252 [0,0,0,0,0,1|3,0,0]=4 310 B15R2.283 O=C1OCC(O1)SCc2cccnc2 62a_100000741622_100000032252 [0,0,0,0,0,1|3,0,0]=4 311 B15R2.283 O=C1OCC(O1)SCc2ccncc2 62a_100015193705_100000032252 [0,0,0,0,0,1|3,0,0]=4 312 B15R2.283 Oc1nc(no1)CCc2ccccc2 270196a_100000212256_100015183105 [0,0,0,0,0,1|2,0,1]=4 313 B15R2.283 Oc1nc(no1)COc2ccccc2 270196a_100000169432_100015183105 [0,0,0,0,0,1|2,0,1]=4 314 B15R2.283 Oc1nc(no1)CSc2ccccc2 270196a_100000150715_100015183105 [0,0,0,0,0,1|2,0,1]=4 315 B12R1.8 C=COCCNc1ccccc1 34a_100000106764_100000039644 [1,0,1,0,0,0|2,0,0]=4 316 B12R1.8 C=COCCOc1ccccc1 34a_100000210340_100000039644 [1,0,1,0,0,0|2,0,0]=4 317 B12R1.8 C=COCCOc1ccccc1 7a_100000210340_100000039644 [1,0,1,0,0,0|2,0,0]=4 318 B12R1.8 C=COCCSc1ccccc1 62a_100000039644_100000041952 [1,0,1,0,0,0|2,0,0]=4 319 B12R1.8 C=COCCSc1ccccc1 62a_100000719477_100000039644 [1,0,1,0,0,0|2,0,0]=4 320 B12R1.8 CCC=NNCc1ccccc1 4a_100000007032_100000210100 [1,0,1,0,0,0|2,0,0]=4 321 B12R1.8 CCOCCCc1ccccc1 34a_100000210828_100000210202 [1,0,1,0,0,0|1,0,1]=4 322 B12R1.8 CCOCCCc1ccccc1 34a_100121572206_100000211621 [1,0,1,0,0,0|1,0,1]=4 323 B12R1.8 CCOCCCc1ccccc1 7a_100000210828_100000210202 [1,0,1,0,0,0|1,0,1]=4 324 B12R1.8 COCCCCc1ccccc1 34a_100000703073_200000210301 [1,0,1,0,0,0|1,0,1]=4 325 B12R1.8 COCCCCc1ccccc1 34a_100138415774_100000701786 [1,0,1,0,0,0|1,0,1]=4 326 B12R1.8 COCCCCc1ccccc1 7a_100000703073_200000210301 [1,0,1,0,0,0|1,0,1]=4 327 B12R1.8 COCNCCc1ccccc1 2230a_100000106460_100000766300 [1,0,1,0,0,0|0,0,2]=4 328 B12R1.8 COCSCCc1ccccc1 62a_100000765856_100000766300 [1,0,1,0,0,0|1,0,1]=4 329 B12R1.8 COCSCCc1ccccc1 62a_100000766300_100011218657 [1,0,1,0,0,0|1,0,1]=4 330 B12R1.8 FCOCCCc1ccccc1 34a_100000210828_100015361967 [1,0,1,0,0,0|1,0,1]=4 331 B12R1.8 FCOCCCc1ccccc1 7a_100000210828_100015361967 [1,0,1,0,0,0|1,0,1]=4 332 B12R1.8 [13CH3]OCCCCc1ccccc1 34a_100000703073_200025704644 [1,0,1,0,0,0|1,0,1]=4 333 B12R1.8 [13CH3]OCCCCc1ccccc1 7a_100000703073_200025704644 [1,0,1,0,0,0|1,0,1]=4 334 B12R1.32 CC(CO[13CH3])Cc1ccccc1 34a_100012125295_200025704644 [1,0,1,0,0,0|1,0,1]=4 335 B12R1.32 CC(CO[13CH3])Cc1ccccc1 7a_100012125295_200025704644 [1,0,1,0,0,0|1,0,1]=4 336 B12R1.32 COCC(C)Cc1ccccc1 34a_100012125295_200000210301 [1,0,1,0,0,0|1,0,1]=4 337 B12R1.32 COCC(C)Cc1ccccc1 7a_100012125295_200000210301 [1,0,1,0,0,0|1,0,1]=4 338 B12R1.32 COCC(N)Cc1ccccc1 34a_100000739027_200000210301 [1,0,1,0,0,0|0,0,2]=4 339 B12R1.32 COC[C@@H](O)Cc1ccccc1 34a_100138415774_100000729385 [1,0,1,0,0,0|1,0,1]=4 340 B12R1.32 [13CH3]OCC(N)Cc1ccccc1 34a_100000739027_200025704644 [1,0,1,0,0,0|0,0,2]=4 341 B12R1.118 CNC(CO)Cc1ccccc1 2230a_100000739027_200000210301 [1,0,1,0,0,0|0,0,2]=4 342 B12R1.118 [13CH3]NC(CO)Cc1ccccc1 2230a_100000739027_200025704644 [1,0,1,0,0,0|0,0,2]=4 343 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100000070787_100000211621 [1,0,1,0,0,0|2,0,0]=4 344 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100011207963_200000210301 [1,0,1,0,0,0|2,0,0]=4 345 B12R1.252 CC(=O)NCCc1ccccc1 11a_100000106460_100015343762 [1,0,1,0,0,0|1,0,1]=4 346 B12R1.252 CC(=O)NCCc1ccccc1 1626a_100000106460_100015343762 [1,0,1,0,0,0|1,0,1]=4 347 B12R1.252 CC(=O)NCCc1ccccc1 240690a_100000106460_100015343762 [1,0,1,0,0,0|1,0,1]=4 348 B12R1.252 CC(=O)NCCc1ccccc1 527a_100000106460_100103153847 [1,0,1,0,0,0|1,0,1]=4 349 B12R1.252 [13CH3]C(=O)CCCc1ccccc1 1458a_100011207963_200025704644 [1,0,1,0,0,0|2,0,0]=4 350 B14R1.158 C=CCOCC(C)Cc1ccccc1 34a_100012125295_100015514636 [0,1,1,0,0,0|2,0,0]=4 351 B14R1.158 C=CCOCC(C)Cc1ccccc1 7a_100012125295_100015514636 [0,1,1,0,0,0|2,0,0]=4 352 B14R1.158 C=CCOCC(N)Cc1ccccc1 34a_100000739027_100015514636 [0,1,1,0,0,0|1,0,1]=4 353 B14R1.158 C=CCOC[C@@H](O)Cc1ccccc1 34a_200000210373_100000729385 [0,1,1,0,0,0|2,0,0]=4 354 B14R1.158 CC(COCC=O)Cc1ccccc1 34a_100012125295_200009817547 [0,1,1,0,0,0|2,0,0]=4 355 B14R1.158 CC(COCC=O)Cc1ccccc1 7a_100012125295_200015260668 [0,1,1,0,0,0|2,0,0]=4 356 B14R1.158 NC(COCC=O)Cc1ccccc1 34a_100000739027_200009817547 [0,1,1,0,0,0|1,0,1]=4 357 B14R1.158 NCCOC[C@@H](O)Cc1ccccc1 34a_100000210304_100000729385 [0,1,1,0,0,0|1,0,1]=4 358 B14R1.549 CC(=O)NC(CO)Cc1ccccc1 240690a_100000739027_100015343762 [0,1,1,0,0,0|1,0,1]=4 359 B14R1.549 CC(=O)NC(CO)Cc1ccccc1 527a_100000739027_100103153847 [0,1,1,0,0,0|1,0,1]=4 360 B14R1.148 Cc1cccc(c1)NCCOC(=O)N 34a_100000188690_200011214921 [0,1,1,0,0,0|2,0,0]=4 361 B14R1.148 Cc1cccc(c1)OCCOC(=O)N 34a_100000210337_200011214921 [0,1,1,0,0,0|2,0,0]=4 362 B14R1.148 Cc1cccc(c1)OCCOC(=O)N 7a_100000210337_200011214921 [0,1,1,0,0,0|2,0,0]=4 363 B14R1.148 Cc1cccc(c1)SCCOC(=O)N 62a_100011215228_200011214921 [0,1,1,0,0,0|2,0,0]=4 364 B14R1.148 Cc1cccc(c1)SCCOC(=O)N 62a_200011214921_100011215228 [0,1,1,0,0,0|2,0,0]=4 365 B14R1.148 NC(=O)OCCNc1cccc(c1)Br 34a_100000210019_200011214921 [0,1,1,0,0,0|2,0,0]=4 366 B14R1.148 NC(=O)OCCNc1cccc(c1)Cl 34a_100000185859_200011214921 [0,1,1,0,0,0|2,0,0]=4 367 B14R1.148 NC(=O)OCCNc1cccc(c1)F 34a_100000210047_200011214921 [0,1,1,0,0,0|2,0,0]=4 368 B14R1.148 NC(=O)OCCNc1cccc(c1)I 34a_100000211102_200011214921 [0,1,1,0,0,0|2,0,0]=4 369 B14R1.148 NC(=O)OCCNc1cccc(c1)O 34a_100000210217_200011214921 [0,1,1,0,0,0|2,0,0]=4 370 B14R1.148 NC(=O)OCCOc1cccc(c1)Br 34a_100000210342_200011214921 [0,1,1,0,0,0|2,0,0]=4 371 B14R1.148 NC(=O)OCCOc1cccc(c1)Br 7a_100000210342_200011214921 [0,1,1,0,0,0|2,0,0]=4 372 B14R1.148 NC(=O)OCCOc1cccc(c1)Cl 34a_100000210295_200011214921 [0,1,1,0,0,0|2,0,0]=4 373 B14R1.148 NC(=O)OCCOc1cccc(c1)Cl 7a_100000210295_200011214921 [0,1,1,0,0,0|2,0,0]=4 374 B14R1.148 NC(=O)OCCOc1cccc(c1)F 34a_100000210426_200011214921 [0,1,1,0,0,0|2,0,0]=4 375 B14R1.148 NC(=O)OCCOc1cccc(c1)F 7a_100000210426_200011214921 [0,1,1,0,0,0|2,0,0]=4 376 B14R1.148 NC(=O)OCCOc1cccc(c1)I 34a_100000211634_200011214921 [0,1,1,0,0,0|2,0,0]=4 377 B14R1.148 NC(=O)OCCOc1cccc(c1)I 7a_100000211634_200011214921 [0,1,1,0,0,0|2,0,0]=4 378 B14R1.148 NC(=O)OCCOc1cccc(c1)N 34a_100000210217_200011214921 [0,1,1,0,0,0|2,0,0]=4 379 B14R1.148 NC(=O)OCCSc1cccc(c1)Br 62a_100000691529_200011214921 [0,1,1,0,0,0|2,0,0]=4 380 B14R1.148 NC(=O)OCCSc1cccc(c1)Br 62a_200011214921_100000691529 [0,1,1,0,0,0|2,0,0]=4 381 B14R1.148 NC(=O)OCCSc1cccc(c1)Cl 62a_100000699651_200011214921 [0,1,1,0,0,0|2,0,0]=4 382 B14R1.148 NC(=O)OCCSc1cccc(c1)Cl 62a_200011214921_100000699651 [0,1,1,0,0,0|2,0,0]=4 383 B14R1.148 NC(=O)OCCSc1cccc(c1)F 62a_100000685547_200011214921 [0,1,1,0,0,0|2,0,0]=4 384 B14R1.148 NC(=O)OCCSc1cccc(c1)F 62a_200011214921_100000685547 [0,1,1,0,0,0|2,0,0]=4 385 B14R1.148 NC(=O)OCCSc1cccc(c1)N 62a_100000210019_200011214921 [0,1,1,0,0,0|2,0,0]=4 386 B14R1.148 NC(=O)OCCSc1cccc(c1)N 62a_200011214921_100000210019 [0,1,1,0,0,0|2,0,0]=4 387 B14R1.148 NC(=O)OCCSc1cccc(c1)O 62a_200011214921_100000211634 [0,1,1,0,0,0|2,0,0]=4 388 B14R1.148 NC(=O)OCCSc1cccc(c1)[S] 62a_114929384022_200011214921 [0,1,1,0,0,0|2,0,0]=4 389 B14R1.148 NC(=O)OCCSc1cccc(c1)[S] 62a_200011214921_114929384022 [0,1,1,0,0,0|2,0,0]=4 390 B14R1.159 Cc1ccccc1NCCOC(=O)N 34a_100015192222_200011214921 [0,1,1,0,0,0|2,0,0]=4 391 B14R1.159 Cc1ccccc1OCCOC(=O)N 34a_100000210338_200011214921 [0,1,1,0,0,0|2,0,0]=4 392 B14R1.159 Cc1ccccc1OCCOC(=O)N 7a_100000210338_200011214921 [0,1,1,0,0,0|2,0,0]=4 393 B14R1.159 Cc1ccccc1SCCOC(=O)N 62a_100000210755_200011214921 [0,1,1,0,0,0|2,0,0]=4 394 B14R1.159 Cc1ccccc1SCCOC(=O)N 62a_200011214921_100000210755 [0,1,1,0,0,0|2,0,0]=4 395 B14R1.159 NC(=O)OCCNc1ccccc1Br 34a_100000210017_200011214921 [0,1,1,0,0,0|2,0,0]=4 396 B14R1.159 NC(=O)OCCNc1ccccc1Cl 34a_100000185783_200011214921 [0,1,1,0,0,0|2,0,0]=4 397 B14R1.159 NC(=O)OCCNc1ccccc1F 34a_100000210422_200011214921 [0,1,1,0,0,0|2,0,0]=4 398 B14R1.159 NC(=O)OCCNc1ccccc1I 34a_100000210053_200011214921 [0,1,1,0,0,0|2,0,0]=4 399 B14R1.159 NC(=O)OCCNc1ccccc1O 34a_100000185747_200011214921 [0,1,1,0,0,0|2,0,0]=4 400 B14R1.159 NC(=O)OCCOc1ccccc1Br 34a_100000181306_200011214921 [0,1,1,0,0,0|2,0,0]=4 401 B14R1.159 NC(=O)OCCOc1ccccc1Br 7a_100000181306_200011214921 [0,1,1,0,0,0|2,0,0]=4 402 B14R1.159 NC(=O)OCCOc1ccccc1Cl 34a_100000210172_200011214921 [0,1,1,0,0,0|2,0,0]=4 403 B14R1.159 NC(=O)OCCOc1ccccc1Cl 7a_100000210172_200011214921 [0,1,1,0,0,0|2,0,0]=4 404 B14R1.159 NC(=O)OCCOc1ccccc1F 34a_100000210171_200011214921 [0,1,1,0,0,0|2,0,0]=4 405 B14R1.159 NC(=O)OCCOc1ccccc1F 7a_100000210171_200011214921 [0,1,1,0,0,0|2,0,0]=4 406 B14R1.159 NC(=O)OCCOc1ccccc1I 34a_100000739446_200011214921 [0,1,1,0,0,0|2,0,0]=4 407 B14R1.159 NC(=O)OCCOc1ccccc1I 7a_100000739446_200011214921 [0,1,1,0,0,0|2,0,0]=4 408 B14R1.159 NC(=O)OCCOc1ccccc1N 34a_100000185747_200011214921 [0,1,1,0,0,0|2,0,0]=4 409 B14R1.159 NC(=O)OCCOc1ccccc1N 7a_100000185747_200011214921 [0,1,1,0,0,0|2,0,0]=4 410 B14R1.159 NC(=O)OCCSc1ccccc1Br 62a_100000695589_200011214921 [0,1,1,0,0,0|2,0,0]=4 411 B14R1.159 NC(=O)OCCSc1ccccc1Br 62a_200011214921_100000695589 [0,1,1,0,0,0|2,0,0]=4 412 B14R1.159 NC(=O)OCCSc1ccccc1Cl 62a_100000764095_200011214921 [0,1,1,0,0,0|2,0,0]=4 413 B14R1.159 NC(=O)OCCSc1ccccc1Cl 62a_200011214921_100000764095 [0,1,1,0,0,0|2,0,0]=4 414 B14R1.159 NC(=O)OCCSc1ccccc1F 62a_100011215700_200011214921 [0,1,1,0,0,0|2,0,0]=4 415 B14R1.159 NC(=O)OCCSc1ccccc1F 62a_200011214921_100011215700 [0,1,1,0,0,0|2,0,0]=4 416 B14R1.159 NC(=O)OCCSc1ccccc1N 62a_100000210017_200011214921 [0,1,1,0,0,0|2,0,0]=4 417 B14R1.159 NC(=O)OCCSc1ccccc1N 62a_200011214921_100000210017 [0,1,1,0,0,0|2,0,0]=4 418 B14R1.159 NC(=O)OCCSc1ccccc1O 62a_100000739446_200011214921 [0,1,1,0,0,0|2,0,0]=4 419 B14R1.159 NC(=O)OCCSc1ccccc1O 62a_200011214921_100000739446 [0,1,1,0,0,0|2,0,0]=4 420 B14R1.420 CN(CCOC(=O)N)c1ccccc1 269982a_100000210012_200011214921 [0,1,1,0,0,0|2,0,0]=4 421 B14R1.420 CN(CCOC(=O)N)c1ccccc1 34a_100000210012_200011214921 [0,1,1,0,0,0|2,0,0]=4 422 B14R1.420 NC(=O)OCCC(=O)c1ccccc1 1458a_100000185807_200011214921 [0,1,1,0,0,0|1,0,1]=4 423 B14R1.677 Cc1ccc(cc1)NCCOC(=O)N 34a_100000124888_200011214921 [0,1,1,0,0,0|2,0,0]=4 424 B14R1.677 Cc1ccc(cc1)OCCOC(=O)N 34a_100000210336_200011214921 [0,1,1,0,0,0|2,0,0]=4 425 B14R1.677 Cc1ccc(cc1)OCCOC(=O)N 7a_100000210336_200011214921 [0,1,1,0,0,0|2,0,0]=4 426 B14R1.677 Cc1ccc(cc1)SCCOC(=O)N 62a_100000186775_200011214921 [0,1,1,0,0,0|2,0,0]=4 427 B14R1.677 Cc1ccc(cc1)SCCOC(=O)N 62a_200011214921_100000186775 [0,1,1,0,0,0|2,0,0]=4 428 B14R1.677 NC(=O)OCCNc1ccc(cc1)Br 34a_100000210018_200011214921 [0,1,1,0,0,0|2,0,0]=4 429 B14R1.677 NC(=O)OCCNc1ccc(cc1)Cl 34a_100000210052_200011214921 [0,1,1,0,0,0|2,0,0]=4 430 B14R1.677 NC(=O)OCCNc1ccc(cc1)F 34a_100000185862_200011214921 [0,1,1,0,0,0|2,0,0]=4 431 B14R1.677 NC(=O)OCCNc1ccc(cc1)I 34a_100000185761_200011214921 [0,1,1,0,0,0|2,0,0]=4 432 B14R1.677 NC(=O)OCCNc1ccc(cc1)O 34a_100000185829_200011214921 [0,1,1,0,0,0|2,0,0]=4 433 B14R1.677 NC(=O)OCCOc1ccc(cc1)Br 34a_100000185759_200011214921 [0,1,1,0,0,0|2,0,0]=4 434 B14R1.677 NC(=O)OCCOc1ccc(cc1)Br 7a_100000185759_200011214921 [0,1,1,0,0,0|2,0,0]=4 435 B14R1.677 NC(=O)OCCOc1ccc(cc1)Cl 34a_100000210216_200011214921 [0,1,1,0,0,0|2,0,0]=4 436 B14R1.677 NC(=O)OCCOc1ccc(cc1)Cl 7a_100000210216_200011214921 [0,1,1,0,0,0|2,0,0]=4 437 B14R1.677 NC(=O)OCCOc1ccc(cc1)F 34a_100000210339_200011214921 [0,1,1,0,0,0|2,0,0]=4 438 B14R1.677 NC(=O)OCCOc1ccc(cc1)I 34a_100000212066_200011214921 [0,1,1,0,0,0|2,0,0]=4 439 B14R1.677 NC(=O)OCCOc1ccc(cc1)I 7a_100000212066_200011214921 [0,1,1,0,0,0|2,0,0]=4 440 B14R1.677 NC(=O)OCCOc1ccc(cc1)N 34a_100000185829_200011214921 [0,1,1,0,0,0|2,0,0]=4 441 B14R1.677 NC(=O)OCCSc1ccc(cc1)Br 62a_100000752885_200011214921 [0,1,1,0,0,0|2,0,0]=4 442 B14R1.677 NC(=O)OCCSc1ccc(cc1)Br 62a_200011214921_100000752885 [0,1,1,0,0,0|2,0,0]=4 443 B14R1.677 NC(=O)OCCSc1ccc(cc1)Cl 62a_100000755918_200011214921 [0,1,1,0,0,0|2,0,0]=4 444 B14R1.677 NC(=O)OCCSc1ccc(cc1)Cl 62a_200011214921_100000755918 [0,1,1,0,0,0|2,0,0]=4 445 B14R1.677 NC(=O)OCCSc1ccc(cc1)F 62a_100000211213_200011214921 [0,1,1,0,0,0|2,0,0]=4 446 B14R1.677 NC(=O)OCCSc1ccc(cc1)F 62a_200011214921_100000211213 [0,1,1,0,0,0|2,0,0]=4 447 B14R1.677 NC(=O)OCCSc1ccc(cc1)N 62a_100000185761_200011214921 [0,1,1,0,0,0|2,0,0]=4 448 B14R1.677 NC(=O)OCCSc1ccc(cc1)N 62a_200011214921_100000185761 [0,1,1,0,0,0|2,0,0]=4 449 B14R1.677 NC(=O)OCCSc1ccc(cc1)O 62a_200011214921_100000185759 [0,1,1,0,0,0|2,0,0]=4 450 B14R1.716 CC(CN)OCCCc1ccccc1 34a_100000210904_100000211621 [0,1,1,0,0,0|1,0,1]=4 451 B14R1.716 CNC(=O)CCCCc1ccccc1 11a_106832991635_100011215911 [0,1,1,0,0,0|2,0,0]=4 452 B14R1.716 CNC(=O)CCCCc1ccccc1 1626a_100102657272_100011215911 [0,1,1,0,0,0|2,0,0]=4 453 B14R1.716 CNC(=O)CCCCc1ccccc1 240690a_100102657272_100011215911 [0,1,1,0,0,0|2,0,0]=4 454 B14R1.716 CNC(=O)CCCCc1ccccc1 527a_100102657272_100011215911 [0,1,1,0,0,0|2,0,0]=4 455 B14R1.716 CNC(=O)NCCCc1ccccc1 2708a_100000211184_106832991635 [0,1,1,0,0,0|2,0,0]=4 456 B14R1.716 CNC(=O)NCCCc1ccccc1 2708a_100102657272_100000211184 [0,1,1,0,0,0|2,0,0]=4 457 B14R1.716 CNC(=O)NCCCc1ccccc1 273464a_100000211184_100102657272 [0,1,1,0,0,0|2,0,0]=4 458 B14R1.716 CNC(=O)NCCCc1ccccc1 273464a_100102657272_100000211184 [0,1,1,0,0,0|2,0,0]=4 459 B14R1.716 CNC(=O)NCCCc1ccccc1 512a_100000211184_100102657272 [0,1,1,0,0,0|2,0,0]=4 460 B14R1.716 CNC(=O)NCCCc1ccccc1 512a_106832991638_100000211184 [0,1,1,0,0,0|2,0,0]=4 461 B14R1.716 CNC(=O)OCCNc1ccccc1 34a_100000106764_200011997002 [0,1,1,0,0,0|2,0,0]=4 462 B14R1.716 CNC(=O)OCCOc1ccccc1 34a_100000210340_200011997002 [0,1,1,0,0,0|2,0,0]=4 463 B14R1.716 CNC(=O)OCCOc1ccccc1 7a_100000210340_200011997002 [0,1,1,0,0,0|2,0,0]=4 464 B14R1.716 CNC(=O)OCCSc1ccccc1 62a_100000719477_200011997002 [0,1,1,0,0,0|2,0,0]=4 465 B14R1.716 CNC(=O)OCCSc1ccccc1 62a_200011997002_100000041952 [0,1,1,0,0,0|2,0,0]=4 466 B14R1.716 NC(=NO)CCOCc1ccccc1 34a_100000749954_100015291786 [0,1,1,0,0,0|2,0,0]=4 467 B14R1.13 COC(=O)CCCc1ccc(cc1)O 271570a_203496583355_100010209878 [0,1,1,0,0,0|2,0,0]=4 468 B14R1.520 COCC(=NNCc1ccccc1)C 4a_100000007032_100000749346 [0,1,1,0,0,0|2,0,0]=4 469 B14R1.520 COCC(=O)CCCc1ccccc1 1458a_100000210968_100000211621 [0,1,1,0,0,0|2,0,0]=4 470 B14R1.520 COCC(=O)NCCc1ccccc1 11a_100000106460_100000210968 [0,1,1,0,0,0|1,0,1]=4 471 B14R1.520 COCC(=O)NCCc1ccccc1 1626a_100000106460_100000210968 [0,1,1,0,0,0|1,0,1]=4 472 B14R1.520 COCC(=O)NCCc1ccccc1 240690a_100000106460_100000210968 [0,1,1,0,0,0|1,0,1]=4 473 B14R1.520 COCC(=O)NCCc1ccccc1 34a_100138415774_100000183012 [0,1,1,0,0,0|1,0,1]=4 474 B14R1.520 COCC(=O)NCCc1ccccc1 527a_100000106460_100000210968 [0,1,1,0,0,0|1,0,1]=4 475 B14R1.520 COCC(=O)OCCc1ccccc1 34a_100138415774_200000077782 [0,1,1,0,0,0|2,0,0]=4 476 B16R2.137 Cc1ccc(cc1)CNC2COC(=O)O2 34a_100000174908_100000032252 [0,1,0,0,0,1|2,0,0]=4 477 B16R2.137 Cc1ccc(cc1)COC2COC(=O)O2 34a_100011215236_100000032252 [0,1,0,0,0,1|2,0,0]=4 478 B16R2.137 Cc1ccc(cc1)CSC2COC(=O)O2 62a_100000210814_100000032252 [0,1,0,0,0,1|2,0,0]=4 479 B16R2.137 Cc1ccc(cc1)NCC2COC(=O)O2 34a_100000124888_100000073702 [0,1,0,0,0,1|2,0,0]=4 480 B16R2.137 Cc1ccc(cc1)NC[C@H]2COC(=O)N2 34a_100000124888_100015307671 [0,1,0,0,0,1|1,0,1]=4 481 B16R2.137 Cc1ccc(cc1)OCC2COC(=O)O2 34a_100000210336_100000073702 [0,1,0,0,0,1|2,0,0]=4 482 B16R2.137 Cc1ccc(cc1)OC[C@H]2COC(=O)N2 34a_100000210336_100015307671 [0,1,0,0,0,1|1,0,1]=4 483 B16R2.137 Cc1ccc(cc1)OC[C@H]2COC(=O)N2 7a_100000210336_100015307671 [0,1,0,0,0,1|1,0,1]=4 484 B16R2.137 Cc1ccc(cc1)SCC2COC(=O)O2 62a_100000073702_100000186775 [0,1,0,0,0,1|2,0,0]=4 485 B16R2.137 Cc1ccc(cc1)SCC2COC(=O)O2 62a_100000186775_100000073702 [0,1,0,0,0,1|2,0,0]=4 486 B16R2.137 Cc1ccc(cc1)SC[C@H]2COC(=O)N2 62a_100000186775_100015307671 [0,1,0,0,0,1|1,0,1]=4 487 B16R2.137 Cc1ccc(cc1)SC[C@H]2COC(=O)N2 62a_100015307671_100000186775 [0,1,0,0,0,1|1,0,1]=4 488 B16R2.137 Nc1ccc(cc1)COC2COC(=O)O2 34a_100011215238_100000032252 [0,1,0,0,0,1|2,0,0]=4 489 B16R2.137 Nc1ccc(cc1)OCC2COC(=O)O2 34a_100000185829_100000073702 [0,1,0,0,0,1|2,0,0]=4 490 B16R2.137 Nc1ccc(cc1)OC[C@H]2COC(=O)N2 34a_100000185829_100015307671 [0,1,0,0,0,1|1,0,1]=4 491 B16R2.137 Nc1ccc(cc1)SCC2COC(=O)O2 62a_100000073702_100000185761 [0,1,0,0,0,1|2,0,0]=4 492 B16R2.137 Nc1ccc(cc1)SCC2COC(=O)O2 62a_100000185761_100000073702 [0,1,0,0,0,1|2,0,0]=4 493 B16R2.137 Nc1ccc(cc1)SC[C@H]2COC(=O)N2 62a_100000185761_100015307671 [0,1,0,0,0,1|1,0,1]=4 494 B16R2.137 Nc1ccc(cc1)SC[C@H]2COC(=O)N2 62a_100015307671_100000185761 [0,1,0,0,0,1|1,0,1]=4 495 B16R2.137 O=C1N[C@H](CO1)CNc2ccc(cc2)Br 2230a_100000210018_100015307671 [0,1,0,0,0,1|1,0,1]=4 496 B16R2.137 O=C1N[C@H](CO1)CNc2ccc(cc2)Br 34a_100000210018_100015307671 [0,1,0,0,0,1|1,0,1]=4 497 B16R2.137 O=C1N[C@H](CO1)CNc2ccc(cc2)Cl 2230a_100000210052_100015307671 [0,1,0,0,0,1|1,0,1]=4 498 B16R2.137 O=C1N[C@H](CO1)CNc2ccc(cc2)Cl 34a_100000210052_100015307671 [0,1,0,0,0,1|1,0,1]=4 499 B16R2.137 O=C1N[C@H](CO1)CNc2ccc(cc2)F 34a_100000185862_100015307671 [0,1,0,0,0,1|1,0,1]=4 500 B16R2.137 O=C1N[C@H](CO1)CNc2ccc(cc2)I 34a_100000185761_100015307671 [0,1,0,0,0,1|1,0,1]=4 501 B16R2.137 O=C1N[C@H](CO1)CNc2ccc(cc2)O 34a_100000185829_100015307671 [0,1,0,0,0,1|1,0,1]=4 502 B16R2.137 O=C1N[C@H](CO1)COc2ccc(cc2)Br 34a_100000185759_100015307671 [0,1,0,0,0,1|1,0,1]=4 503 B16R2.137 O=C1N[C@H](CO1)COc2ccc(cc2)Br 7a_100000185759_100015307671 [0,1,0,0,0,1|1,0,1]=4 504 B16R2.137 O=C1N[C@H](CO1)COc2ccc(cc2)Cl 34a_100000210216_100015307671 [0,1,0,0,0,1|1,0,1]=4 505 B16R2.137 O=C1N[C@H](CO1)COc2ccc(cc2)Cl 7a_100000210216_100015307671 [0,1,0,0,0,1|1,0,1]=4 506 B16R2.137 O=C1N[C@H](CO1)COc2ccc(cc2)F 34a_100000210339_100015307671 [0,1,0,0,0,1|1,0,1]=4 507 B16R2.137 O=C1N[C@H](CO1)COc2ccc(cc2)I 34a_100000212066_100015307671 [0,1,0,0,0,1|1,0,1]=4 508 B16R2.137 O=C1N[C@H](CO1)COc2ccc(cc2)I 7a_100000212066_100015307671 [0,1,0,0,0,1|1,0,1]=4 509 B16R2.137 O=C1N[C@H](CO1)CSc2ccc(cc2)Br 62a_100000752885_100015307671 [0,1,0,0,0,1|1,0,1]=4 510 B16R2.137 O=C1N[C@H](CO1)CSc2ccc(cc2)Br 62a_100015307671_100000752885 [0,1,0,0,0,1|1,0,1]=4 511 B16R2.137 O=C1N[C@H](CO1)CSc2ccc(cc2)Cl 62a_100000755918_100015307671 [0,1,0,0,0,1|1,0,1]=4 512 B16R2.137 O=C1N[C@H](CO1)CSc2ccc(cc2)Cl 62a_100015307671_100000755918 [0,1,0,0,0,1|1,0,1]=4 513 B16R2.137 O=C1N[C@H](CO1)CSc2ccc(cc2)F 62a_100000211213_100015307671 [0,1,0,0,0,1|1,0,1]=4 514 B16R2.137 O=C1N[C@H](CO1)CSc2ccc(cc2)F 62a_100015307671_100000211213 [0,1,0,0,0,1|1,0,1]=4 515 B16R2.137 O=C1N[C@H](CO1)CSc2ccc(cc2)O 62a_100015307671_100000185759 [0,1,0,0,0,1|1,0,1]=4 516 B16R2.137 O=C1OCC(O1)CNc2ccc(cc2)Br 34a_100000210018_100000073702 [0,1,0,0,0,1|2,0,0]=4 517 B16R2.137 O=C1OCC(O1)CNc2ccc(cc2)Cl 34a_100000210052_100000073702 [0,1,0,0,0,1|2,0,0]=4 518 B16R2.137 O=C1OCC(O1)CNc2ccc(cc2)F 34a_100000185862_100000073702 [0,1,0,0,0,1|2,0,0]=4 519 B16R2.137 O=C1OCC(O1)CNc2ccc(cc2)I 34a_100000185761_100000073702 [0,1,0,0,0,1|2,0,0]=4 520 B16R2.137 O=C1OCC(O1)CNc2ccc(cc2)O 34a_100000185829_100000073702 [0,1,0,0,0,1|2,0,0]=4 521 B16R2.137 O=C1OCC(O1)COc2ccc(cc2)Br 34a_100000185759_100000073702 [0,1,0,0,0,1|2,0,0]=4 522 B16R2.137 O=C1OCC(O1)COc2ccc(cc2)Cl 34a_100000210216_100000073702 [0,1,0,0,0,1|2,0,0]=4 523 B16R2.137 O=C1OCC(O1)COc2ccc(cc2)F 34a_100000210339_100000073702 [0,1,0,0,0,1|2,0,0]=4 524 B16R2.137 O=C1OCC(O1)COc2ccc(cc2)I 34a_100000212066_100000073702 [0,1,0,0,0,1|2,0,0]=4 525 B16R2.137 O=C1OCC(O1)CSc2ccc(cc2)Br 62a_100000073702_100000752885 [0,1,0,0,0,1|2,0,0]=4 526 B16R2.137 O=C1OCC(O1)CSc2ccc(cc2)Br 62a_100000752885_100000073702 [0,1,0,0,0,1|2,0,0]=4 527 B16R2.137 O=C1OCC(O1)CSc2ccc(cc2)Cl 62a_100000073702_100000755918 [0,1,0,0,0,1|2,0,0]=4 528 B16R2.137 O=C1OCC(O1)CSc2ccc(cc2)Cl 62a_100000755918_100000073702 [0,1,0,0,0,1|2,0,0]=4 529 B16R2.137 O=C1OCC(O1)CSc2ccc(cc2)F 62a_100000073702_100000211213 [0,1,0,0,0,1|2,0,0]=4 530 B16R2.137 O=C1OCC(O1)CSc2ccc(cc2)F 62a_100000211213_100000073702 [0,1,0,0,0,1|2,0,0]=4 531 B16R2.137 O=C1OCC(O1)CSc2ccc(cc2)O 62a_100000073702_100000185759 [0,1,0,0,0,1|2,0,0]=4 532 B16R2.137 O=C1OCC(O1)NCc2ccc(cc2)Br 34a_100000174875_100000032252 [0,1,0,0,0,1|2,0,0]=4 533 B16R2.137 O=C1OCC(O1)NCc2ccc(cc2)Cl 34a_100000174871_100000032252 [0,1,0,0,0,1|2,0,0]=4 534 B16R2.137 O=C1OCC(O1)NCc2ccc(cc2)F 34a_100000174882_100000032252 [0,1,0,0,0,1|2,0,0]=4 535 B16R2.137 O=C1OCC(O1)NCc2ccc(cc2)I 34a_100016989417_100000032252 [0,1,0,0,0,1|2,0,0]=4 536 B16R2.137 O=C1OCC(O1)NCc2ccc(cc2)O 34a_100000185549_100000032252 [0,1,0,0,0,1|2,0,0]=4 537 B16R2.137 O=C1OCC(O1)OCc2ccc(cc2)Br 34a_100000695286_100000032252 [0,1,0,0,0,1|2,0,0]=4 538 B16R2.137 O=C1OCC(O1)OCc2ccc(cc2)Cl 34a_100000211118_100000032252 [0,1,0,0,0,1|2,0,0]=4 539 B16R2.137 O=C1OCC(O1)OCc2ccc(cc2)F 34a_100000210977_100000032252 [0,1,0,0,0,1|2,0,0]=4 540 B16R2.137 O=C1OCC(O1)OCc2ccc(cc2)I 34a_100000690907_100000032252 [0,1,0,0,0,1|2,0,0]=4 541 B16R2.137 O=C1OCC(O1)SCc2ccc(cc2)Br 62a_100000189115_100000032252 [0,1,0,0,0,1|2,0,0]=4 542 B16R2.137 O=C1OCC(O1)SCc2ccc(cc2)Cl 62a_100000187161_100000032252 [0,1,0,0,0,1|2,0,0]=4 543 B16R2.137 O=C1OCC(O1)SCc2ccc(cc2)F 62a_100000198546_100000032252 [0,1,0,0,0,1|2,0,0]=4 544 B16R2.137 O=C1OCC(O1)SCc2ccc(cc2)I 62a_100000189116_100000032252 [0,1,0,0,0,1|2,0,0]=4 545 B16R2.258 Cc1cccc(c1)CNC2COC(=O)O2 34a_100000185548_100000032252 [0,1,0,0,0,1|2,0,0]=4 546 B16R2.258 Cc1cccc(c1)COC2COC(=O)O2 34a_100011217746_100000032252 [0,1,0,0,0,1|2,0,0]=4 547 B16R2.258 Cc1cccc(c1)CSC2COC(=O)O2 62a_100000211840_100000032252 [0,1,0,0,0,1|2,0,0]=4 548 B16R2.258 Cc1cccc(c1)NCC2COC(=O)O2 34a_100000188690_100000073702 [0,1,0,0,0,1|2,0,0]=4 549 B16R2.258 Cc1cccc(c1)NC[C@H]2COC(=O)N2 2230a_100000188690_100015307671 [0,1,0,0,0,1|1,0,1]=4 550 B16R2.258 Cc1cccc(c1)NC[C@H]2COC(=O)N2 34a_100000188690_100015307671 [0,1,0,0,0,1|1,0,1]=4 551 B16R2.258 Cc1cccc(c1)OCC2COC(=O)O2 34a_100000210337_100000073702 [0,1,0,0,0,1|2,0,0]=4 552 B16R2.258 Cc1cccc(c1)OC[C@H]2COC(=O)N2 34a_100000210337_100015307671 [0,1,0,0,0,1|1,0,1]=4 553 B16R2.258 Cc1cccc(c1)OC[C@H]2COC(=O)N2 7a_100000210337_100015307671 [0,1,0,0,0,1|1,0,1]=4 554 B16R2.258 Cc1cccc(c1)SCC2COC(=O)O2 62a_100000073702_100011215228 [0,1,0,0,0,1|2,0,0]=4 555 B16R2.258 Cc1cccc(c1)SCC2COC(=O)O2 62a_100011215228_100000073702 [0,1,0,0,0,1|2,0,0]=4 556 B16R2.258 Cc1cccc(c1)SC[C@H]2COC(=O)N2 62a_100011215228_100015307671 [0,1,0,0,0,1|1,0,1]=4 557 B16R2.258 Cc1cccc(c1)SC[C@H]2COC(=O)N2 62a_100015307671_100011215228 [0,1,0,0,0,1|1,0,1]=4 558 B16R2.258 Nc1cccc(c1)COC2COC(=O)O2 34a_100000211919_100000032252 [0,1,0,0,0,1|2,0,0]=4 559 B16R2.258 Nc1cccc(c1)OCC2COC(=O)O2 34a_100000210217_100000073702 [0,1,0,0,0,1|2,0,0]=4 560 B16R2.258 Nc1cccc(c1)OC[C@H]2COC(=O)N2 34a_100000210217_100015307671 [0,1,0,0,0,1|1,0,1]=4 561 B16R2.258 Nc1cccc(c1)SCC2COC(=O)O2 62a_100000073702_100000210019 [0,1,0,0,0,1|2,0,0]=4 562 B16R2.258 Nc1cccc(c1)SCC2COC(=O)O2 62a_100000210019_100000073702 [0,1,0,0,0,1|2,0,0]=4 563 B16R2.258 Nc1cccc(c1)SC[C@H]2COC(=O)N2 62a_100000210019_100015307671 [0,1,0,0,0,1|1,0,1]=4 564 B16R2.258 Nc1cccc(c1)SC[C@H]2COC(=O)N2 62a_100015307671_100000210019 [0,1,0,0,0,1|1,0,1]=4 565 B16R2.258 O=C1N[C@H](CO1)CNc2cccc(c2)Br 34a_100000210019_100015307671 [0,1,0,0,0,1|1,0,1]=4 566 B16R2.258 O=C1N[C@H](CO1)CNc2cccc(c2)Cl 34a_100000185859_100015307671 [0,1,0,0,0,1|1,0,1]=4 567 B16R2.258 O=C1N[C@H](CO1)CNc2cccc(c2)F 34a_100000210047_100015307671 [0,1,0,0,0,1|1,0,1]=4 568 B16R2.258 O=C1N[C@H](CO1)CNc2cccc(c2)I 34a_100000211102_100015307671 [0,1,0,0,0,1|1,0,1]=4 569 B16R2.258 O=C1N[C@H](CO1)CNc2cccc(c2)O 34a_100000210217_100015307671 [0,1,0,0,0,1|1,0,1]=4 570 B16R2.258 O=C1N[C@H](CO1)COc2cccc(c2)Br 34a_100000210342_100015307671 [0,1,0,0,0,1|1,0,1]=4 571 B16R2.258 O=C1N[C@H](CO1)COc2cccc(c2)Br 7a_100000210342_100015307671 [0,1,0,0,0,1|1,0,1]=4 572 B16R2.258 O=C1N[C@H](CO1)COc2cccc(c2)Cl 34a_100000210295_100015307671 [0,1,0,0,0,1|1,0,1]=4 573 B16R2.258 O=C1N[C@H](CO1)COc2cccc(c2)Cl 7a_100000210295_100015307671 [0,1,0,0,0,1|1,0,1]=4 574 B16R2.258 O=C1N[C@H](CO1)COc2cccc(c2)F 34a_100000210426_100015307671 [0,1,0,0,0,1|1,0,1]=4 575 B16R2.258 O=C1N[C@H](CO1)COc2cccc(c2)F 7a_100000210426_100015307671 [0,1,0,0,0,1|1,0,1]=4 576 B16R2.258 O=C1N[C@H](CO1)COc2cccc(c2)I 34a_100000211634_100015307671 [0,1,0,0,0,1|1,0,1]=4 577 B16R2.258 O=C1N[C@H](CO1)COc2cccc(c2)I 7a_100000211634_100015307671 [0,1,0,0,0,1|1,0,1]=4 578 B16R2.258 O=C1N[C@H](CO1)CSc2cccc(c2)Br 62a_100000691529_100015307671 [0,1,0,0,0,1|1,0,1]=4 579 B16R2.258 O=C1N[C@H](CO1)CSc2cccc(c2)Br 62a_100015307671_100000691529 [0,1,0,0,0,1|1,0,1]=4 580 B16R2.258 O=C1N[C@H](CO1)CSc2cccc(c2)Cl 62a_100000699651_100015307671 [0,1,0,0,0,1|1,0,1]=4 581 B16R2.258 O=C1N[C@H](CO1)CSc2cccc(c2)Cl 62a_100015307671_100000699651 [0,1,0,0,0,1|1,0,1]=4 582 B16R2.258 O=C1N[C@H](CO1)CSc2cccc(c2)F 62a_100000685547_100015307671 [0,1,0,0,0,1|1,0,1]=4 583 B16R2.258 O=C1N[C@H](CO1)CSc2cccc(c2)F 62a_100015307671_100000685547 [0,1,0,0,0,1|1,0,1]=4 584 B16R2.258 O=C1N[C@H](CO1)CSc2cccc(c2)O 62a_100015307671_100000211634 [0,1,0,0,0,1|1,0,1]=4 585 B16R2.258 O=C1N[C@H](CO1)CSc2cccc(c2)[S] 62a_100015307671_114929384022 [0,1,0,0,0,1|1,0,1]=4 586 B16R2.258 O=C1N[C@H](CO1)CSc2cccc(c2)[S] 62a_114929384022_100015307671 [0,1,0,0,0,1|1,0,1]=4 587 B16R2.258 O=C1OCC(O1)CNc2cccc(c2)Br 34a_100000210019_100000073702 [0,1,0,0,0,1|2,0,0]=4 588 B16R2.258 O=C1OCC(O1)CNc2cccc(c2)Cl 34a_100000185859_100000073702 [0,1,0,0,0,1|2,0,0]=4 589 B16R2.258 O=C1OCC(O1)CNc2cccc(c2)F 34a_100000210047_100000073702 [0,1,0,0,0,1|2,0,0]=4 590 B16R2.258 O=C1OCC(O1)CNc2cccc(c2)I 34a_100000211102_100000073702 [0,1,0,0,0,1|2,0,0]=4 591 B16R2.258 O=C1OCC(O1)CNc2cccc(c2)O 34a_100000210217_100000073702 [0,1,0,0,0,1|2,0,0]=4 592 B16R2.258 O=C1OCC(O1)COc2cccc(c2)Br 34a_100000210342_100000073702 [0,1,0,0,0,1|2,0,0]=4 593 B16R2.258 O=C1OCC(O1)COc2cccc(c2)Cl 34a_100000210295_100000073702 [0,1,0,0,0,1|2,0,0]=4 594 B16R2.258 O=C1OCC(O1)COc2cccc(c2)F 34a_100000210426_100000073702 [0,1,0,0,0,1|2,0,0]=4 595 B16R2.258 O=C1OCC(O1)COc2cccc(c2)I 34a_100000211634_100000073702 [0,1,0,0,0,1|2,0,0]=4 596 B16R2.258 O=C1OCC(O1)CSc2cccc(c2)Br 62a_100000073702_100000691529 [0,1,0,0,0,1|2,0,0]=4 597 B16R2.258 O=C1OCC(O1)CSc2cccc(c2)Br 62a_100000691529_100000073702 [0,1,0,0,0,1|2,0,0]=4 598 B16R2.258 O=C1OCC(O1)CSc2cccc(c2)Cl 62a_100000073702_100000699651 [0,1,0,0,0,1|2,0,0]=4 599 B16R2.258 O=C1OCC(O1)CSc2cccc(c2)Cl 62a_100000699651_100000073702 [0,1,0,0,0,1|2,0,0]=4 600 B16R2.258 O=C1OCC(O1)CSc2cccc(c2)F 62a_100000073702_100000685547 [0,1,0,0,0,1|2,0,0]=4 601 B16R2.258 O=C1OCC(O1)CSc2cccc(c2)F 62a_100000685547_100000073702 [0,1,0,0,0,1|2,0,0]=4 602 B16R2.258 O=C1OCC(O1)CSc2cccc(c2)O 62a_100000073702_100000211634 [0,1,0,0,0,1|2,0,0]=4 603 B16R2.258 O=C1OCC(O1)CSc2cccc(c2)[S] 62a_100000073702_114929384022 [0,1,0,0,0,1|2,0,0]=4 604 B16R2.258 O=C1OCC(O1)CSc2cccc(c2)[S] 62a_114929384022_100000073702 [0,1,0,0,0,1|2,0,0]=4 605 B16R2.258 O=C1OCC(O1)NCc2cccc(c2)Br 34a_100000174977_100000032252 [0,1,0,0,0,1|2,0,0]=4 606 B16R2.258 O=C1OCC(O1)NCc2cccc(c2)Cl 34a_100000174878_100000032252 [0,1,0,0,0,1|2,0,0]=4 607 B16R2.258 O=C1OCC(O1)NCc2cccc(c2)F 34a_100000174948_100000032252 [0,1,0,0,0,1|2,0,0]=4 608 B16R2.258 O=C1OCC(O1)NCc2cccc(c2)I 34a_100000106179_100000032252 [0,1,0,0,0,1|2,0,0]=4 609 B16R2.258 O=C1OCC(O1)NCc2cccc(c2)O 34a_100000743036_100000032252 [0,1,0,0,0,1|2,0,0]=4 610 B16R2.258 O=C1OCC(O1)OCc2cccc(c2)Br 34a_100000687537_100000032252 [0,1,0,0,0,1|2,0,0]=4 611 B16R2.258 O=C1OCC(O1)OCc2cccc(c2)Cl 34a_100000241301_100000032252 [0,1,0,0,0,1|2,0,0]=4 612 B16R2.258 O=C1OCC(O1)OCc2cccc(c2)F 34a_100000210976_100000032252 [0,1,0,0,0,1|2,0,0]=4 613 B16R2.258 O=C1OCC(O1)OCc2cccc(c2)I 34a_100011215336_100000032252 [0,1,0,0,0,1|2,0,0]=4 614 B16R2.258 O=C1OCC(O1)SCc2cccc(c2)Br 62a_100000211773_100000032252 [0,1,0,0,0,1|2,0,0]=4 615 B16R2.258 O=C1OCC(O1)SCc2cccc(c2)Cl 62a_100000187163_100000032252 [0,1,0,0,0,1|2,0,0]=4 616 B16R2.258 O=C1OCC(O1)SCc2cccc(c2)F 62a_100000230114_100000032252 [0,1,0,0,0,1|2,0,0]=4 617 B16R2.258 O=C1OCC(O1)SCc2cccc(c2)I 62a_100011218688_100000032252 [0,1,0,0,0,1|2,0,0]=4 618 B16R2.258 O=C1OCC(O1)SCc2cccc(c2)O 62a_100011660834_100000032252 [0,1,0,0,0,1|2,0,0]=4 619 B16R2.2829 CC(SC1COC(=O)O1)c2ccccc2 62a_100000230085_100000032252 [0,1,0,0,0,1|2,0,0]=4 620 B16R2.2829 CN(CC1COC(=O)O1)c2ccccc2 269982a_100000210012_100000073702 [0,1,0,0,0,1|2,0,0]=4 621 B16R2.2829 CN(CC1COC(=O)O1)c2ccccc2 34a_100000210012_100000073702 [0,1,0,0,0,1|2,0,0]=4 622 B16R2.2829 CN(C[C@H]1COC(=O)N1)c2ccccc2 2230a_100000210012_100015307671 [0,1,0,0,0,1|1,0,1]=4 623 B16R2.2829 CN(C[C@H]1COC(=O)N1)c2ccccc2 269982a_100000210012_100015307671 [0,1,0,0,0,1|1,0,1]=4 624 B16R2.2829 CN(C[C@H]1COC(=O)N1)c2ccccc2 34a_100000210012_100015307671 [0,1,0,0,0,1|1,0,1]=4 625 B16R2.2829 C[C@@H](OC1COC(=O)O1)c2ccccc2 34a_100000761318_100000032252 [0,1,0,0,0,1|2,0,0]=4 626 B16R2.2829 O=C1N[C@H](CO1)CC(=O)c2ccccc2 1458a_100000185807_100015307671 [0,1,0,0,0,1|1,0,1]=4 627 B16R2.2829 O=C1OCC(O1)CC(=O)c2ccccc2 1458a_100000185807_100000073702 [0,1,0,0,0,1|2,0,0]=4 628 B16R2.2843 NC1=NC(CS1)C(=O)Cc2ccccc2 1458a_100000002200_100015291786 [0,1,0,0,0,1|0,1,0]=3 629 B16R2.2843 NC1=NC(CS1)C(=O)Cc2ccccn2 1458a_100000002200_100000721315 [0,1,0,0,0,1|1,1,0]=4 630 B16R2.2843 NC1=NC(CS1)C(=O)Cc2cccnc2 1458a_100000002200_100000733263 [0,1,0,0,0,1|1,1,0]=4 631 B16R2.2843 NC1=NC(CS1)C(=O)Cc2ccncc2 1458a_100000002200_100000705612 [0,1,0,0,0,1|1,1,0]=4 632 B16R2.2843 NC1=NC(CS1)C(=O)Nc2ccccc2 22a_100000106764_100000002200 [0,1,0,0,0,1|0,1,1]=4 633 B16R2.11414 Cc1ccccc1CNC2COC(=O)O2 34a_100000174972_100000032252 [0,1,0,0,0,1|2,0,0]=4 634 B16R2.11414 Cc1ccccc1COC2COC(=O)O2 34a_100000698903_100000032252 [0,1,0,0,0,1|2,0,0]=4 635 B16R2.11414 Cc1ccccc1CSC2COC(=O)O2 62a_100000211839_100000032252 [0,1,0,0,0,1|2,0,0]=4 636 B16R2.11414 Cc1ccccc1NCC2COC(=O)O2 34a_100015192222_100000073702 [0,1,0,0,0,1|2,0,0]=4 637 B16R2.11414 Cc1ccccc1NC[C@H]2COC(=O)N2 34a_100015192222_100015307671 [0,1,0,0,0,1|1,0,1]=4 638 B16R2.11414 Cc1ccccc1OCC2COC(=O)O2 34a_100000210338_100000073702 [0,1,0,0,0,1|2,0,0]=4 639 B16R2.11414 Cc1ccccc1OC[C@H]2COC(=O)N2 34a_100000210338_100015307671 [0,1,0,0,0,1|1,0,1]=4 640 B16R2.11414 Cc1ccccc1OC[C@H]2COC(=O)N2 7a_100000210338_100015307671 [0,1,0,0,0,1|1,0,1]=4 641 B16R2.11414 Cc1ccccc1SCC2COC(=O)O2 62a_100000073702_100000210755 [0,1,0,0,0,1|2,0,0]=4 642 B16R2.11414 Cc1ccccc1SCC2COC(=O)O2 62a_100000210755_100000073702 [0,1,0,0,0,1|2,0,0]=4 643 B16R2.11414 Cc1ccccc1SC[C@H]2COC(=O)N2 62a_100000210755_100015307671 [0,1,0,0,0,1|1,0,1]=4 644 B16R2.11414 Cc1ccccc1SC[C@H]2COC(=O)N2 62a_100015307671_100000210755 [0,1,0,0,0,1|1,0,1]=4 645 B16R2.11414 Nc1ccccc1COC2COC(=O)O2 34a_100000212039_100000032252 [0,1,0,0,0,1|2,0,0]=4 646 B16R2.11414 Nc1ccccc1OCC2COC(=O)O2 34a_100000185747_100000073702 [0,1,0,0,0,1|2,0,0]=4 647 B16R2.11414 Nc1ccccc1OC[C@H]2COC(=O)N2 34a_100000185747_100015307671 [0,1,0,0,0,1|1,0,1]=4 648 B16R2.11414 Nc1ccccc1OC[C@H]2COC(=O)N2 7a_100000185747_100015307671 [0,1,0,0,0,1|1,0,1]=4 649 B16R2.11414 Nc1ccccc1SCC2COC(=O)O2 62a_100000073702_100000210017 [0,1,0,0,0,1|2,0,0]=4 650 B16R2.11414 Nc1ccccc1SCC2COC(=O)O2 62a_100000210017_100000073702 [0,1,0,0,0,1|2,0,0]=4 651 B16R2.11414 Nc1ccccc1SC[C@H]2COC(=O)N2 62a_100000210017_100015307671 [0,1,0,0,0,1|1,0,1]=4 652 B16R2.11414 Nc1ccccc1SC[C@H]2COC(=O)N2 62a_100015307671_100000210017 [0,1,0,0,0,1|1,0,1]=4 653 B16R2.11414 O=C1N[C@H](CO1)CNc2ccccc2Br 34a_100000210017_100015307671 [0,1,0,0,0,1|1,0,1]=4 654 B16R2.11414 O=C1N[C@H](CO1)CNc2ccccc2Cl 34a_100000185783_100015307671 [0,1,0,0,0,1|1,0,1]=4 655 B16R2.11414 O=C1N[C@H](CO1)CNc2ccccc2F 34a_100000210422_100015307671 [0,1,0,0,0,1|1,0,1]=4 656 B16R2.11414 O=C1N[C@H](CO1)CNc2ccccc2I 34a_100000210053_100015307671 [0,1,0,0,0,1|1,0,1]=4 657 B16R2.11414 O=C1N[C@H](CO1)CNc2ccccc2O 34a_100000185747_100015307671 [0,1,0,0,0,1|1,0,1]=4 658 B16R2.11414 O=C1N[C@H](CO1)COc2ccccc2Br 34a_100000181306_100015307671 [0,1,0,0,0,1|1,0,1]=4 659 B16R2.11414 O=C1N[C@H](CO1)COc2ccccc2Br 7a_100000181306_100015307671 [0,1,0,0,0,1|1,0,1]=4 660 B16R2.11414 O=C1N[C@H](CO1)COc2ccccc2Cl 34a_100000210172_100015307671 [0,1,0,0,0,1|1,0,1]=4 661 B16R2.11414 O=C1N[C@H](CO1)COc2ccccc2Cl 7a_100000210172_100015307671 [0,1,0,0,0,1|1,0,1]=4 662 B16R2.11414 O=C1N[C@H](CO1)COc2ccccc2F 34a_100000210171_100015307671 [0,1,0,0,0,1|1,0,1]=4 663 B16R2.11414 O=C1N[C@H](CO1)COc2ccccc2F 7a_100000210171_100015307671 [0,1,0,0,0,1|1,0,1]=4 664 B16R2.11414 O=C1N[C@H](CO1)COc2ccccc2I 34a_100000739446_100015307671 [0,1,0,0,0,1|1,0,1]=4 665 B16R2.11414 O=C1N[C@H](CO1)COc2ccccc2I 7a_100000739446_100015307671 [0,1,0,0,0,1|1,0,1]=4 666 B16R2.11414 O=C1N[C@H](CO1)CSc2ccccc2Br 62a_100000695589_100015307671 [0,1,0,0,0,1|1,0,1]=4 667 B16R2.11414 O=C1N[C@H](CO1)CSc2ccccc2Br 62a_100015307671_100000695589 [0,1,0,0,0,1|1,0,1]=4 668 B16R2.11414 O=C1N[C@H](CO1)CSc2ccccc2Cl 62a_100000764095_100015307671 [0,1,0,0,0,1|1,0,1]=4 669 B16R2.11414 O=C1N[C@H](CO1)CSc2ccccc2Cl 62a_100015307671_100000764095 [0,1,0,0,0,1|1,0,1]=4 670 B16R2.11414 O=C1N[C@H](CO1)CSc2ccccc2F 62a_100011215700_100015307671 [0,1,0,0,0,1|1,0,1]=4 671 B16R2.11414 O=C1N[C@H](CO1)CSc2ccccc2F 62a_100015307671_100011215700 [0,1,0,0,0,1|1,0,1]=4 672 B16R2.11414 O=C1N[C@H](CO1)CSc2ccccc2O 62a_100000739446_100015307671 [0,1,0,0,0,1|1,0,1]=4 673 B16R2.11414 O=C1N[C@H](CO1)CSc2ccccc2O 62a_100015307671_100000739446 [0,1,0,0,0,1|1,0,1]=4 674 B16R2.11414 O=C1OCC(O1)CNc2ccccc2Br 34a_100000210017_100000073702 [0,1,0,0,0,1|2,0,0]=4 675 B16R2.11414 O=C1OCC(O1)CNc2ccccc2Cl 34a_100000185783_100000073702 [0,1,0,0,0,1|2,0,0]=4 676 B16R2.11414 O=C1OCC(O1)CNc2ccccc2F 34a_100000210422_100000073702 [0,1,0,0,0,1|2,0,0]=4 677 B16R2.11414 O=C1OCC(O1)CNc2ccccc2I 34a_100000210053_100000073702 [0,1,0,0,0,1|2,0,0]=4 678 B16R2.11414 O=C1OCC(O1)CNc2ccccc2O 34a_100000185747_100000073702 [0,1,0,0,0,1|2,0,0]=4 679 B16R2.11414 O=C1OCC(O1)COc2ccccc2Br 34a_100000181306_100000073702 [0,1,0,0,0,1|2,0,0]=4 680 B16R2.11414 O=C1OCC(O1)COc2ccccc2Cl 34a_100000210172_100000073702 [0,1,0,0,0,1|2,0,0]=4 681 B16R2.11414 O=C1OCC(O1)COc2ccccc2F 34a_100000210171_100000073702 [0,1,0,0,0,1|2,0,0]=4 682 B16R2.11414 O=C1OCC(O1)COc2ccccc2I 34a_100000739446_100000073702 [0,1,0,0,0,1|2,0,0]=4 683 B16R2.11414 O=C1OCC(O1)CSc2ccccc2Br 62a_100000073702_100000695589 [0,1,0,0,0,1|2,0,0]=4 684 B16R2.11414 O=C1OCC(O1)CSc2ccccc2Br 62a_100000695589_100000073702 [0,1,0,0,0,1|2,0,0]=4 685 B16R2.11414 O=C1OCC(O1)CSc2ccccc2Cl 62a_100000073702_100000764095 [0,1,0,0,0,1|2,0,0]=4 686 B16R2.11414 O=C1OCC(O1)CSc2ccccc2Cl 62a_100000764095_100000073702 [0,1,0,0,0,1|2,0,0]=4 687 B16R2.11414 O=C1OCC(O1)CSc2ccccc2F 62a_100000073702_100011215700 [0,1,0,0,0,1|2,0,0]=4 688 B16R2.11414 O=C1OCC(O1)CSc2ccccc2F 62a_100011215700_100000073702 [0,1,0,0,0,1|2,0,0]=4 689 B16R2.11414 O=C1OCC(O1)CSc2ccccc2O 62a_100000073702_100000739446 [0,1,0,0,0,1|2,0,0]=4 690 B16R2.11414 O=C1OCC(O1)CSc2ccccc2O 62a_100000739446_100000073702 [0,1,0,0,0,1|2,0,0]=4 691 B16R2.11414 O=C1OCC(O1)NCc2ccccc2Br 34a_100000689332_100000032252 [0,1,0,0,0,1|2,0,0]=4 692 B16R2.11414 O=C1OCC(O1)NCc2ccccc2Cl 34a_100000174879_100000032252 [0,1,0,0,0,1|2,0,0]=4 693 B16R2.11414 O=C1OCC(O1)NCc2ccccc2F 34a_100000174869_100000032252 [0,1,0,0,0,1|2,0,0]=4 694 B16R2.11414 O=C1OCC(O1)NCc2ccccc2O 34a_100000185550_100000032252 [0,1,0,0,0,1|2,0,0]=4 695 B16R2.11414 O=C1OCC(O1)OCc2ccccc2Br 34a_100000756307_100000032252 [0,1,0,0,0,1|2,0,0]=4 696 B16R2.11414 O=C1OCC(O1)OCc2ccccc2Cl 34a_100000210847_100000032252 [0,1,0,0,0,1|2,0,0]=4 697 B16R2.11414 O=C1OCC(O1)OCc2ccccc2F 34a_100000211962_100000032252 [0,1,0,0,0,1|2,0,0]=4 698 B16R2.11414 O=C1OCC(O1)OCc2ccccc2I 34a_100000187465_100000032252 [0,1,0,0,0,1|2,0,0]=4 699 B16R2.11414 O=C1OCC(O1)SCc2ccccc2Br 62a_100000184730_100000032252 [0,1,0,0,0,1|2,0,0]=4 700 B16R2.11414 O=C1OCC(O1)SCc2ccccc2Cl 62a_100000187162_100000032252 [0,1,0,0,0,1|2,0,0]=4 701 B16R2.11414 O=C1OCC(O1)SCc2ccccc2F 62a_100000211605_100000032252 [0,1,0,0,0,1|2,0,0]=4 702 B16R2.11414 O=C1OCC(O1)SCc2ccccc2I 62a_100011216222_100000032252 [0,1,0,0,0,1|2,0,0]=4 703 B16R2.92 CNCc1nc(no1)Cc2ccccc2 2230a_100000745906_200000210301 [0,2,0,0,0,0|1,0,1]=4 704 B16R2.92 CNCc1nc(no1)Cc2ccccc2 2230a_106832991635_100000739277 [0,2,0,0,0,0|1,0,1]=4 705 B16R2.92 CNCc1nc(no1)Cc2ccccc2 34a_100102657272_100000739277 [0,2,0,0,0,0|1,0,1]=4 706 B16R2.92 CNCc1nc(no1)Cc2ccccc2 7a_106832991635_100000739277 [0,2,0,0,0,0|1,0,1]=4 707 B16R2.92 [13CH3]NCc1nc(no1)Cc2ccccc2 2230a_100000745906_200025704644 [0,2,0,0,0,0|1,0,1]=4 708 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000070787_200011218536 [0,0,1,0,1,0|1,0,1]=4 709 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000754839_200000210301 [0,0,1,0,1,0|1,0,1]=4 710 B12R1.43 CC(Cc1ccccc1)C(=O)[13CH3] 1458a_100000754839_200025704644 [0,0,1,0,1,0|1,0,1]=4 711 B12R1.43 CC(Nc1ccccc1)C(=O)N 34a_100000106764_100000702099 [0,0,1,0,1,0|1,0,1]=4 712 B12R1.43 CC(Oc1ccccc1)C(=O)N 34a_100000210340_100000702099 [0,0,1,0,1,0|1,0,1]=4 713 B12R1.43 CC(Oc1ccccc1)C(=O)N 7a_100000210340_100000702099 [0,0,1,0,1,0|1,0,1]=4 714 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000702099_100000041952 [0,0,1,0,1,0|1,0,1]=4 715 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000719477_100000702099 [0,0,1,0,1,0|1,0,1]=4 716 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000185753_100000210202 [0,0,1,0,1,0|2,0,0]=4 717 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000210414_100000765856 [0,0,1,0,1,0|2,0,0]=4 718 B12R1.27 CNC(=O)CCc1ccccc1 11a_106832991635_100000185753 [0,0,1,0,1,0|2,0,0]=4 719 B12R1.27 CNC(=O)CCc1ccccc1 1626a_100102657272_100000185753 [0,0,1,0,1,0|2,0,0]=4 720 B12R1.27 CNC(=O)CCc1ccccc1 240690a_100102657272_100000185753 [0,0,1,0,1,0|2,0,0]=4 721 B12R1.27 CNC(=O)CCc1ccccc1 527a_100102657272_100000185753 [0,0,1,0,1,0|2,0,0]=4 722 B12R1.27 COC(=O)CNc1ccccc1 34a_100000106764_100000747449 [0,0,1,0,1,0|2,0,0]=4 723 B12R1.27 COC(=O)COc1ccccc1 34a_100000210340_100000747449 [0,0,1,0,1,0|2,0,0]=4 724 B12R1.27 COC(=O)COc1ccccc1 7a_100000210340_100000747449 [0,0,1,0,1,0|2,0,0]=4 725 B12R1.27 COC(=O)CSc1ccccc1 62a_100000719477_100000747449 [0,0,1,0,1,0|2,0,0]=4 726 B12R1.27 COC(=O)CSc1ccccc1 62a_100000747449_100000041952 [0,0,1,0,1,0|2,0,0]=4 727 B12R1.27 CO[C@@H](C)CCc1ccccc1 34a_100009815974_200000210301 [0,0,1,0,1,0|1,0,1]=4 728 B12R1.27 CO[C@@H](C)CCc1ccccc1 7a_100009815974_200000210301 [0,0,1,0,1,0|1,0,1]=4 729 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 34a_100009815974_200025704644 [0,0,1,0,1,0|1,0,1]=4 730 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 7a_100009815974_200025704644 [0,0,1,0,1,0|1,0,1]=4 731 B12R2.2058 c1ccc(cc1)NC2COC2 34a_100000106764_100009818527 [1,0,0,0,1,0|1,0,1]=4 732 B12R2.2058 c1ccc(cc1)OC2COC2 34a_100000210340_100009818527 [1,0,0,0,1,0|1,0,1]=4 733 B12R2.2058 c1ccc(cc1)OC2COC2 7a_100000210340_100009818527 [1,0,0,0,1,0|1,0,1]=4 734 B12R2.2058 c1ccc(cc1)SC2COC2 62a_100000719477_100009818527 [1,0,0,0,1,0|1,0,1]=4 735 B12R2.11 CN1C[C@@H]1Cc2ccccc2 2230a_100016998360_200000210301 [0,0,0,0,2,0|2,0,0]=4 736 B12R2.11 CN1C[C@@H]1Cc2ccccc2 269982a_100016998360_200000210301 [0,0,0,0,2,0|2,0,0]=4 737 B12R2.11 CN1C[C@@H]1Cc2ccccc2 34a_100016998360_200000210301 [0,0,0,0,2,0|2,0,0]=4 738 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 2230a_100016998360_200025704644 [0,0,0,0,2,0|2,0,0]=4 739 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 269982a_100016998360_200025704644 [0,0,0,0,2,0|2,0,0]=4 740 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 34a_100016998360_200025704644 [0,0,0,0,2,0|2,0,0]=4 741 B14R1.979 C=CC[C@H](CO)NCc1ccccc1 207a_100020615467_100015611070 [0,0,1,0,0,1|2,0,0]=4 742 B14R1.979 C=CC[C@H](CO)NCc1ccccc1 2230a_100020615467_100015291786 [0,0,1,0,0,1|2,0,0]=4 743 B14R1.979 C=CC[C@H](CO)NCc1ccccc1 270004a_100020615467_100015611070 [0,0,1,0,0,1|2,0,0]=4 744 B14R1.422 C=C(C)COCCCc1ccccc1 34a_100000210245_100000211621 [0,0,1,0,0,1|2,0,0]=4 745 B14R1.422 C=C(C)COCCCc1ccccc1 34a_100000210828_100000748629 [0,0,1,0,0,1|2,0,0]=4 746 B14R1.422 C=C(C)COCCCc1ccccc1 7a_100000210828_100000748629 [0,0,1,0,0,1|2,0,0]=4 747 B14R1.422 C=C(F)COCCCc1ccccc1 34a_100000210828_100009893438 [0,0,1,0,0,1|2,0,0]=4 748 B14R1.422 C=C(F)COCCCc1ccccc1 34a_200010262243_100000211621 [0,0,1,0,0,1|2,0,0]=4 749 B14R1.422 C=C(F)COCCCc1ccccc1 7a_100000210828_100000042424 [0,0,1,0,0,1|2,0,0]=4 750 B14R1.422 CC(=O)COCCCc1ccccc1 34a_100000211253_100000211621 [0,0,1,0,0,1|2,0,0]=4 751 B14R1.422 CC(=O)OCCCNc1ccccc1 34a_100000106764_100000042594 [0,0,1,0,0,1|2,0,0]=4 752 B14R1.422 CC(=O)OCCCOc1ccccc1 34a_100000210340_100000042594 [0,0,1,0,0,1|2,0,0]=4 753 B14R1.422 CC(=O)OCCCOc1ccccc1 7a_100000210340_100000042594 [0,0,1,0,0,1|2,0,0]=4 754 B14R1.422 CC(=O)OCCCSc1ccccc1 62a_100000042594_100000041952 [0,0,1,0,0,1|2,0,0]=4 755 B14R1.422 CC(=O)OCCCSc1ccccc1 62a_100000719477_100000042594 [0,0,1,0,0,1|2,0,0]=4 756 B14R1.422 CC(=O)OCCNCc1ccccc1 34a_100015324214_100009814007 [0,0,1,0,0,1|2,0,0]=4 757 B14R1.422 CC(=O)OCCOCc1ccccc1 34a_100000210790_100009814007 [0,0,1,0,0,1|2,0,0]=4 758 B14R1.422 CC(=O)OCCOCc1ccccc1 7a_100000210790_100009814007 [0,0,1,0,0,1|2,0,0]=4 759 B14R1.422 CC(=O)OCCSCc1ccccc1 62a_100000211182_100009814007 [0,0,1,0,0,1|2,0,0]=4 760 B14R1.422 CC(=O)OCCSCc1ccccc1 62a_100009814007_100015291786 [0,0,1,0,0,1|2,0,0]=4 761 B14R1.422 CC(=O)OCNCCc1ccccc1 34a_100000106460_100009813279 [0,0,1,0,0,1|2,0,0]=4 762 B14R1.422 CC(=O)OCOCCc1ccccc1 34a_100000210268_100009813279 [0,0,1,0,0,1|2,0,0]=4 763 B14R1.422 CC(=O)OCSCCc1ccccc1 62a_100000076356_100011218657 [0,0,1,0,0,1|2,0,0]=4 764 B14R1.422 CC(=O)OCSCCc1ccccc1 62a_100000765856_100000076356 [0,0,1,0,0,1|2,0,0]=4 765 B14R1.422 CC(=S)OCCCNc1ccccc1 34a_100000106764_200135323944 [0,0,1,0,0,1|2,0,0]=4 766 B14R1.422 CC(=S)OCCCOc1ccccc1 34a_100000210340_200135323944 [0,0,1,0,0,1|2,0,0]=4 767 B14R1.422 CC(=S)OCCCOc1ccccc1 7a_100000210340_200135323944 [0,0,1,0,0,1|2,0,0]=4 768 B14R1.422 CC(=S)OCCCSc1ccccc1 62a_100000719477_200135323944 [0,0,1,0,0,1|2,0,0]=4 769 B14R1.422 CC(=S)OCCCSc1ccccc1 62a_200135323944_100000041952 [0,0,1,0,0,1|2,0,0]=4 770 B14R1.422 C[C@@H](N)COCCCc1ccccc1 34a_100000737577_100000211621 [0,0,1,0,0,1|1,0,1]=4 771 B14R1.422 NC(=O)CCCNCc1ccccc1 34a_100000739312_100015291786 [0,0,1,0,0,1|2,0,0]=4 772 B14R1.422 NC(=O)CCCNCc1ccccc1 34a_100015324214_100102525003 [0,0,1,0,0,1|2,0,0]=4 773 B14R1.422 NC(=O)CCCOCc1ccccc1 34a_100000210790_100102525003 [0,0,1,0,0,1|2,0,0]=4 774 B14R1.422 NC(=O)CCCOCc1ccccc1 7a_100000210790_100102525003 [0,0,1,0,0,1|2,0,0]=4 775 B14R1.422 NC(=O)CCCSCc1ccccc1 62a_100000211182_100102525003 [0,0,1,0,0,1|2,0,0]=4 776 B14R1.422 NC(=O)CCCSCc1ccccc1 62a_100102525003_100015291786 [0,0,1,0,0,1|2,0,0]=4 777 B14R1.422 NC(=O)CCNCCc1ccccc1 2230a_100000106460_100000744528 [0,0,1,0,0,1|2,0,0]=4 778 B14R1.422 NC(=O)CCNCCc1ccccc1 34a_100000106460_100000731001 [0,0,1,0,0,1|2,0,0]=4 779 B14R1.422 NC(=O)CCOCCc1ccccc1 34a_100000210268_100000731001 [0,0,1,0,0,1|2,0,0]=4 780 B14R1.422 NC(=O)CCOCCc1ccccc1 34a_100000757172_100000765856 [0,0,1,0,0,1|2,0,0]=4 781 B14R1.422 NC(=O)CCOCCc1ccccc1 7a_100000210268_100000744528 [0,0,1,0,0,1|2,0,0]=4 782 B14R1.422 NC(=O)CCOCCc1ccccc1 7a_100000757172_100000765856 [0,0,1,0,0,1|2,0,0]=4 783 B14R1.422 NC(=O)CCSCCc1ccccc1 62a_100000744528_100011218657 [0,0,1,0,0,1|2,0,0]=4 784 B14R1.422 NC(=O)CCSCCc1ccccc1 62a_100000765856_100000744528 [0,0,1,0,0,1|2,0,0]=4 785 B14R1.422 NC(=O)CNCCCc1ccccc1 2230a_100000211184_100000747473 [0,0,1,0,0,1|2,0,0]=4 786 B14R1.422 NC(=O)CNCCCc1ccccc1 2230a_100000711301_100000211621 [0,0,1,0,0,1|2,0,0]=4 787 B14R1.422 NC(=O)CNCCCc1ccccc1 34a_100000211184_100000187820 [0,0,1,0,0,1|2,0,0]=4 788 B14R1.422 NC(=O)COCCCc1ccccc1 34a_100000210828_100000187820 [0,0,1,0,0,1|1,0,0]=3 789 B14R1.422 NC(=O)COCCCc1ccccc1 7a_100000210828_100000187820 [0,0,1,0,0,1|1,0,0]=3 790 B14R1.422 NC(=O)COCCCc1ccccn1 34a_100011215068_100000187820 [0,0,1,0,0,1|2,0,0]=4 791 B14R1.422 NC(=O)COCCCc1cccnc1 34a_100000211284_100000187820 [0,0,1,0,0,1|2,0,0]=4 792 B14R1.422 NC(=O)COCCCc1ccncc1 34a_100000210659_100000187820 [0,0,1,0,0,1|2,0,0]=4 793 B14R1.422 NC(=O)COCCNc1ccccc1 34a_100000106764_100000076697 [0,0,1,0,0,1|2,0,0]=4 794 B14R1.422 NC(=O)COCCNc1ccccc1 34a_100000211345_100000187820 [0,0,1,0,0,1|2,0,0]=4 795 B14R1.422 NC(=O)COCCOc1ccccc1 34a_100000210260_100000187820 [0,0,1,0,0,1|2,0,0]=4 796 B14R1.422 NC(=O)COCCOc1ccccc1 34a_100000210340_100000076697 [0,0,1,0,0,1|2,0,0]=4 797 B14R1.422 NC(=O)COCCOc1ccccc1 7a_100000210260_100000187820 [0,0,1,0,0,1|2,0,0]=4 798 B14R1.422 NC(=O)COCCOc1ccccc1 7a_100000210340_100000076697 [0,0,1,0,0,1|2,0,0]=4 799 B14R1.422 NC(=O)COCCSc1ccccc1 62a_100000076697_100000041952 [0,0,1,0,0,1|2,0,0]=4 800 B14R1.422 NC(=O)COCCSc1ccccc1 62a_100000719477_100000076697 [0,0,1,0,0,1|2,0,0]=4 801 B14R1.422 NC(=O)COCCSc1ccccc1 7a_100000230494_100000187820 [0,0,1,0,0,1|2,0,0]=4 802 B14R1.422 NC(=O)CSCCCc1ccccc1 62a_100000211621_100000747473 [0,0,1,0,0,1|1,1,0]=4 803 B14R1.422 NC(=O)CSCCCc1ccccc1 62a_100000747473_100000211621 [0,0,1,0,0,1|1,1,0]=4 804 B14R1.422 NC(=O)NCCNCc1ccccc1 207a_100020590234_100015611070 [0,0,1,0,0,1|2,0,0]=4 805 B14R1.422 NC(=O)NCCNCc1ccccc1 2230a_100015324214_200000034859 [0,0,1,0,0,1|2,0,0]=4 806 B14R1.422 NC(=O)NCCNCc1ccccc1 34a_100020590234_100015291786 [0,0,1,0,0,1|2,0,0]=4 807 B14R1.422 NC(=O)NCCOCc1ccccc1 34a_100000181757_100015291786 [0,0,1,0,0,1|2,0,0]=4 808 B14R1.422 NC(=O)NCCOCc1ccccc1 7a_100000210790_200000034859 [0,0,1,0,0,1|2,0,0]=4 809 B14R1.422 NC(=O)NCCSCc1ccccc1 62a_100000211182_200000034859 [0,0,1,0,0,1|2,0,0]=4 810 B14R1.422 NC(=O)NCCSCc1ccccc1 62a_200000034859_100015291786 [0,0,1,0,0,1|2,0,0]=4 811 B14R1.422 NC(=O)OCCNCc1ccccc1 34a_100015324214_200011214921 [0,0,1,0,0,1|1,0,0]=3 812 B14R1.422 NC(=O)OCCOCc1ccccc1 34a_100000210790_200011214921 [0,0,1,0,0,1|1,0,0]=3 813 B14R1.422 NC(=O)OCCOCc1ccccc1 7a_100000210790_200011214921 [0,0,1,0,0,1|1,0,0]=3 814 B14R1.422 NC(=O)OCCOCc1ccccc1 7a_100000766696_100000211182 [0,0,1,0,0,1|1,0,0]=3 815 B14R1.422 NC(=O)OCCOCc1ccccn1 7a_100000766696_100000721315 [0,0,1,0,0,1|2,0,0]=4 816 B14R1.422 NC(=O)OCCOCc1cccnc1 7a_100000766696_100000741622 [0,0,1,0,0,1|2,0,0]=4 817 B14R1.422 NC(=O)OCCOCc1ccncc1 7a_100000766696_100015193705 [0,0,1,0,0,1|2,0,0]=4 818 B14R1.422 NC(=O)OCCSCc1ccccc1 62a_100000211182_200011214921 [0,0,1,0,0,1|1,0,0]=3 819 B14R1.422 NC(=O)OCCSCc1ccccc1 62a_200011214921_100015291786 [0,0,1,0,0,1|1,0,0]=3 820 B14R1.422 NC(=O)OCCSCc1ccccn1 62a_100000721315_200011214921 [0,0,1,0,0,1|2,0,0]=4 821 B14R1.422 NC(=O)OCCSCc1ccccn1 62a_200011214921_100000721315 [0,0,1,0,0,1|2,0,0]=4 822 B14R1.422 NC(=O)OCCSCc1cccnc1 62a_100000741622_200011214921 [0,0,1,0,0,1|2,0,0]=4 823 B14R1.422 NC(=O)OCCSCc1cccnc1 62a_200011214921_100000741622 [0,0,1,0,0,1|2,0,0]=4 824 B14R1.422 NC(=O)OCCSCc1ccncc1 62a_100015193705_200011214921 [0,0,1,0,0,1|2,0,0]=4 825 B14R1.422 NC(=O)OCCSCc1ccncc1 62a_200011214921_100015193705 [0,0,1,0,0,1|2,0,0]=4 826 B14R1.422 O=C([O-])COCCCc1ccccc1 34a_100000210828_100020667443 [0,0,1,0,0,1|2,0,0]=4 827 B14R2.101 C1=CCC(C1)NCc2ccccc2 207a_100015188752_100015611070 [1,0,0,0,0,1|2,0,0]=4 828 B14R2.101 C1=CCC(C1)NCc2ccccc2 2230a_100015188752_100015291786 [1,0,0,0,0,1|2,0,0]=4 829 B14R2.101 C1=CCC(C1)NCc2ccccc2 270004a_100015188752_100015611070 [1,0,0,0,0,1|2,0,0]=4 830 B14R2.101 c1ccc(cc1)CNC2CCOC2 2230a_100015324214_100000731011 [1,0,0,0,0,1|1,0,1]=4 831 B14R2.101 c1ccc(cc1)CNC2CCOC2 270004a_100015324214_100000752484 [1,0,0,0,0,1|1,0,1]=4 832 B14R2.101 c1ccc(cc1)CNC2CCOC2 34a_100015324214_100000690089 [1,0,0,0,0,1|1,0,1]=4 833 B14R2.101 c1ccc(cc1)CN[C@@H]2CCOC2 207a_200015188469_100015611070 [1,0,0,0,0,1|1,0,1]=4 834 B14R2.101 c1ccc(cc1)CN[C@@H]2CCOC2 2230a_200015188469_100015291786 [1,0,0,0,0,1|1,0,1]=4 835 B14R2.101 c1ccc(cc1)CN[C@@H]2CCOC2 270004a_200015188469_100015611070 [1,0,0,0,0,1|1,0,1]=4 836 B14R2.101 c1ccc(cc1)CN[C@H]2CCOC2 207a_100015188467_100015611070 [1,0,0,0,0,1|1,0,1]=4 837 B14R2.101 c1ccc(cc1)CN[C@H]2CCOC2 2230a_100015188467_100015291786 [1,0,0,0,0,1|1,0,1]=4 838 B14R2.101 c1ccc(cc1)CN[C@H]2CCOC2 270004a_100015188467_100015611070 [1,0,0,0,0,1|1,0,1]=4 839 B14R2.101 c1ccc(cc1)CN[C@H]2CCOC2 34a_100015188467_100015291786 [1,0,0,0,0,1|1,0,1]=4 840 B14R2.101 c1ccc(cc1)COC2CCOC2 34a_100000210790_100000690089 [1,0,0,0,0,1|1,0,1]=4 841 B14R2.101 c1ccc(cc1)COC2CCOC2 7a_100000210790_100000731011 [1,0,0,0,0,1|1,0,1]=4 842 B14R2.101 c1ccc(cc1)CO[C@H]2CCOC2 34a_100000717292_100015291786 [1,0,0,0,0,1|1,0,1]=4 843 B14R2.101 c1ccc(cc1)CSC2CCOC2 62a_100000211182_100000690089 [1,0,0,0,0,1|1,0,1]=4 844 B14R2.101 c1ccc(cc1)NCC2CCOC2 34a_100000106764_100011261433 [1,0,0,0,0,1|1,0,1]=4 845 B14R2.101 c1ccc(cc1)NCc2ncon2 34a_100000106764_100000233494 [1,0,0,0,0,1|1,0,1]=4 846 B14R2.101 c1ccc(cc1)OCC2CCOC2 34a_100000210340_100011261433 [1,0,0,0,0,1|1,0,1]=4 847 B14R2.101 c1ccc(cc1)OCC2CCOC2 7a_100000210340_100000702531 [1,0,0,0,0,1|1,0,1]=4 848 B14R2.101 c1ccc(cc1)OCc2ncon2 34a_100000210340_100000233494 [1,0,0,0,0,1|1,0,1]=4 849 B14R2.101 c1ccc(cc1)SCC2CCOC2 62a_100000702531_100000041952 [1,0,0,0,0,1|1,0,1]=4 850 B14R2.101 c1ccc(cc1)SCC2CCOC2 62a_100000719477_100000702531 [1,0,0,0,0,1|1,0,1]=4 851 B14R2.101 c1ccc(cc1)SCc2ncon2 62a_100000233494_100000041952 [1,0,0,0,0,1|1,0,1]=4 852 B14R2.101 c1ccc(cc1)SCc2ncon2 62a_100000719477_100000233494 [1,0,0,0,0,1|1,0,1]=4 853 B16R2.2832 O=C1N[C@H](CO1)CNCc2ccccc2 2230a_100015324214_100015307671 [0,0,0,0,0,2|1,0,1]=4 854 B16R2.2832 O=C1N[C@H](CO1)CNCc2ccccc2 34a_100015324214_100015307671 [0,0,0,0,0,2|1,0,1]=4 855 B16R2.2832 O=C1N[C@H](CO1)COCc2ccccc2 34a_100000210790_100015307671 [0,0,0,0,0,2|1,0,1]=4 856 B16R2.2832 O=C1N[C@H](CO1)COCc2ccccc2 7a_100000210790_100015307671 [0,0,0,0,0,2|1,0,1]=4 857 B16R2.2832 O=C1N[C@H](CO1)CSCc2ccccc2 62a_100000211182_100015307671 [0,0,0,0,0,2|1,0,1]=4 858 B16R2.2832 O=C1N[C@H](CO1)CSCc2ccccc2 62a_100015307671_100015291786 [0,0,0,0,0,2|1,0,1]=4 859 B16R2.2832 O=C1OCC(O1)CNCc2ccccc2 34a_100015324214_100000073702 [0,0,0,0,0,2|2,0,0]=4 860 B16R2.2832 O=C1OCC(O1)COCc2ccccc2 34a_100000210790_100000073702 [0,0,0,0,0,2|2,0,0]=4 861 B16R2.2832 O=C1OCC(O1)CSCc2ccccc2 62a_100000073702_100015291786 [0,0,0,0,0,2|2,0,0]=4 862 B16R2.2832 O=C1OCC(O1)CSCc2ccccc2 62a_100000211182_100000073702 [0,0,0,0,0,2|2,0,0]=4 863 B16R2.2832 O=C1OCC(O1)NCCc2ccccc2 34a_100000106460_100000032252 [0,0,0,0,0,2|2,0,0]=4 864 B16R2.2832 O=C1OCC(O1)OCCc2ccccc2 34a_100000210268_100000032252 [0,0,0,0,0,2|2,0,0]=4 865 B16R2.2832 O=C1OCC(O1)SCCc2ccccc2 62a_100000765856_100000032252 [0,0,0,0,0,2|2,0,0]=4 866 B16R2.2832 O=C1OCC(O1)SCSc2ccccc2 62a_100011218342_100000032252 [0,0,0,0,0,2|2,0,0]=4