0 B29R3.10106351 CC(=O)CCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100011215641 [0,0,0,0,0,0|1,0,0]=1 1 B29R3.10106351 CC(=O)CCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100000685027 [0,0,0,0,0,0|1,0,0]=1 2 B29R3.10106351 CC(=O)CCCN1CCC(CC1)O[C@@H](c2ccc(cc2)Cl)c3ccccn3 1458a_200020619139_200000210301 [0,0,0,0,0,0|1,0,0]=1 3 B29R3.10106351 CC(=O)NCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100000189650 [0,0,0,0,0,0|2,0,0]=2 4 B29R3.10106351 CC(=O)NCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100000189650 [0,0,0,0,0,0|2,0,0]=2 5 B29R3.10106351 CC(=O)OCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100009814007 [0,0,0,0,0,0|2,0,0]=2 6 B29R3.10106351 CC(=O)OCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100009814007 [0,0,0,0,0,0|2,0,0]=2 7 B29R3.10106351 CC(C)OCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100000211751 [0,0,0,0,0,0|3,0,1]=4 8 B29R3.10106351 CC(C)OCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100000211751 [0,0,0,0,0,0|3,0,1]=4 9 B29R3.10106351 CC(C)OCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100000211751 [0,0,0,0,0,0|3,0,1]=4 10 B29R3.10106351 CC(O)CCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_200000718107 [0,0,0,0,0,0|1,0,1]=2 11 B29R3.10106351 CC(O)CCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_200000718107 [0,0,0,0,0,0|1,0,1]=2 12 B29R3.10106351 CC(O)CCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_200000718107 [0,0,0,0,0,0|1,0,1]=2 13 B29R3.10106351 CN(C)CCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100000757444 [0,0,0,0,0,0|3,0,0]=3 14 B29R3.10106351 NC(=O)CCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100102525003 [0,0,0,0,0,0|1,0,0]=1 15 B29R3.10106351 NC(=O)CCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100102525003 [0,0,0,0,0,0|1,0,0]=1 16 B29R3.10106351 NC(=O)NCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_200000034859 [0,0,0,0,0,0|2,0,0]=2 17 B29R3.10106351 NC(=O)NCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_200000034859 [0,0,0,0,0,0|2,0,0]=2 18 B29R3.10106351 NC(=O)OCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_200011214921 [0,0,0,0,0,0|2,0,0]=2 19 B29R3.10106351 NC(=O)OCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_200011214921 [0,0,0,0,0,0|2,0,0]=2 20 B29R3.10106351 OB(O)/C=C/CN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100016262062 [0,0,0,0,0,0|1,0,3]=4 21 B29R3.10106351 OB(O)/C=C/CN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100016262062 [0,0,0,0,0,0|1,0,3]=4 22 B29R3.10106351 OB(O)/C=C/CN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100016262062 [0,0,0,0,0,0|1,0,3]=4 23 B29R3.10106351 [13CH3]C(=O)CCCN1CCC(CC1)O[C@@H](c2ccc(cc2)Cl)c3ccccn3 1458a_200020619139_200025704644 [0,0,0,0,0,0|1,0,0]=1 24 B28R3.8592 C#CCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100000731252 [1,0,0,0,0,0|1,0,1]=3 25 B28R3.8592 C#CCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100011215417 [1,0,0,0,0,0|1,0,1]=3 26 B28R3.8592 C#CCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100000695029 [1,0,0,0,0,0|1,0,1]=3 27 B28R3.8592 C=COCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100000039644 [1,0,0,0,0,0|2,0,0]=3 28 B28R3.8592 C=COCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100000039644 [1,0,0,0,0,0|2,0,0]=3 29 B28R3.8592 C=COCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100000039644 [1,0,0,0,0,0|2,0,0]=3 30 B28R3.8592 CCOCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100011215890 [1,0,0,0,0,0|2,0,1]=4 31 B28R3.8592 CCOCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100011215890 [1,0,0,0,0,0|2,0,1]=4 32 B28R3.8592 CCOCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100000210147 [1,0,0,0,0,0|2,0,1]=4 33 B28R3.8592 COCCCN1CCC(CC1)NC(c2ccc(cc2)Cl)c3ccccn3 270004a_100000750181_100000753647 [1,0,0,0,0,0|3,0,0]=4 34 B28R3.8592 COCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100000740836 [1,0,0,0,0,0|2,0,0]=3 35 B28R3.8592 COCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100000740836 [1,0,0,0,0,0|2,0,0]=3 36 B28R3.8592 COCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100000740836 [1,0,0,0,0,0|2,0,0]=3 37 B28R3.8592 N#CCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100000687738 [1,0,0,0,0,0|1,0,1]=3 38 B28R3.8592 N#CCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100000687738 [1,0,0,0,0,0|1,0,1]=3 39 B28R3.8592 N#CSCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100000034367 [1,0,0,0,0,0|2,0,1]=4 40 B28R3.8592 O=CCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_200011292268 [1,0,0,0,0,0|0,0,0]=1 41 B28R3.8592 O=CCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_200011292268 [1,0,0,0,0,0|0,0,0]=1 42 B28R3.8592 OCC#CCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_200000047223 [1,0,0,0,0,0|0,0,3]=4 43 B28R3.8592 OCC#CCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_200000047223 [1,0,0,0,0,0|0,0,3]=4 44 B28R3.8592 OCCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100000210776 [1,0,0,0,0,0|0,0,1]=2 45 B28R3.8592 OCCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100000210776 [1,0,0,0,0,0|0,0,1]=2 46 B28R3.8592 OCCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100011216708 [1,0,0,0,0,0|0,0,1]=2 47 B28R3.122691 CC(=O)CCCN1CCC(CC1)OC(c2ccccc2)c3ccccc3 269982a_100016987672_100011215641 [1,0,0,0,0,0|2,0,0]=3 48 B28R3.122691 CC(=O)CCCN1CCC(CC1)OC(c2ccccc2)c3ccccc3 34a_100016987672_100000685027 [1,0,0,0,0,0|2,0,0]=3 49 B28R3.122691 CC(=O)NCCN1CCC(CC1)OC(c2ccccc2)c3ccccc3 2230a_100016987672_100000189650 [1,0,0,0,0,0|3,0,0]=4 50 B28R3.122691 CC(=O)NCCN1CCC(CC1)OC(c2ccccc2)c3ccccc3 269982a_100016987672_100000189650 [1,0,0,0,0,0|3,0,0]=4 51 B28R3.122691 CC(=O)OCCN1CCC(CC1)OC(c2ccccc2)c3ccccc3 269982a_100016987672_100009814007 [1,0,0,0,0,0|3,0,0]=4 52 B28R3.122691 CC(=O)OCCN1CCC(CC1)OC(c2ccccc2)c3ccccc3 34a_100016987672_100009814007 [1,0,0,0,0,0|3,0,0]=4 53 B28R3.122691 CC(O)CCCN1CCC(CC1)OC(c2ccccc2)c3ccccc3 2230a_100016987672_200000718107 [1,0,0,0,0,0|2,0,1]=4 54 B28R3.122691 CC(O)CCCN1CCC(CC1)OC(c2ccccc2)c3ccccc3 269982a_100016987672_200000718107 [1,0,0,0,0,0|2,0,1]=4 55 B28R3.122691 CC(O)CCCN1CCC(CC1)OC(c2ccccc2)c3ccccc3 34a_100016987672_200000718107 [1,0,0,0,0,0|2,0,1]=4 56 B28R3.122691 NC(=O)CCCN1CCC(CC1)OC(c2ccccc2)c3ccccc3 269982a_100016987672_100102525003 [1,0,0,0,0,0|2,0,0]=3 57 B28R3.122691 NC(=O)CCCN1CCC(CC1)OC(c2ccccc2)c3ccccc3 34a_100016987672_100102525003 [1,0,0,0,0,0|2,0,0]=3 58 B28R3.122691 NC(=O)NCCN1CCC(CC1)OC(c2ccccc2)c3ccccc3 2230a_100016987672_200000034859 [1,0,0,0,0,0|3,0,0]=4 59 B28R3.122691 NC(=O)NCCN1CCC(CC1)OC(c2ccccc2)c3ccccc3 269982a_100016987672_200000034859 [1,0,0,0,0,0|3,0,0]=4 60 B28R3.122691 NC(=O)OCCN1CCC(CC1)OC(c2ccccc2)c3ccccc3 269982a_100016987672_200011214921 [1,0,0,0,0,0|3,0,0]=4 61 B28R3.122691 NC(=O)OCCN1CCC(CC1)OC(c2ccccc2)c3ccccc3 34a_100016987672_200011214921 [1,0,0,0,0,0|3,0,0]=4 62 B30R3.227407 C=CC(=O)OCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100009813456 [0,1,0,0,0,0|2,0,0]=3 63 B30R3.227407 C=CC(=O)OCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100009813456 [0,1,0,0,0,0|2,0,0]=3 64 B30R3.227407 C=CC(=O)OCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100009813456 [0,1,0,0,0,0|2,0,0]=3 65 B30R3.227407 CCN(C)CCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100015186262 [0,1,0,0,0,0|3,0,0]=4 66 B30R3.227407 CCN(C)CCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100015186262 [0,1,0,0,0,0|3,0,0]=4 67 B30R3.227407 CNC(=O)CCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100000741757 [0,1,0,0,0,0|1,0,0]=2 68 B30R3.227407 CNC(=O)CCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100000741757 [0,1,0,0,0,0|1,0,0]=2 69 B30R3.227407 CNC(=O)CCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100000741757 [0,1,0,0,0,0|1,0,0]=2 70 B30R3.227407 CNC(=O)CCCN1CCC(CC1)O[C@@H](c2ccc(cc2)Cl)c3ccccn3 11a_106832991635_200020619139 [0,1,0,0,0,0|1,0,0]=2 71 B30R3.227407 CNC(=O)CCCN1CCC(CC1)O[C@@H](c2ccc(cc2)Cl)c3ccccn3 240690a_100102657272_200020619139 [0,1,0,0,0,0|1,0,0]=2 72 B30R3.227407 CNC(=O)OCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_200011997002 [0,1,0,0,0,0|2,0,0]=3 73 B30R3.227407 CNC(=O)OCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_200011997002 [0,1,0,0,0,0|2,0,0]=3 74 B30R3.227407 COC(=O)/C=C/CN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100000742655 [0,1,0,0,0,0|0,0,2]=3 75 B30R3.227407 COC(=O)/C=C/CN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100000742655 [0,1,0,0,0,0|0,0,2]=3 76 B30R3.227407 COC(=O)/C=C/CN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100000742655 [0,1,0,0,0,0|0,0,2]=3 77 B30R3.227407 COC(=O)CCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100011218270 [0,1,0,0,0,0|0,0,0]=1 78 B30R3.227407 COC(=O)CCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100011218270 [0,1,0,0,0,0|0,0,0]=1 79 B30R3.227407 COC(=O)CCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100000742333 [0,1,0,0,0,0|0,0,0]=1 80 B30R3.227407 O=C(CF)CCCN1CCC(CC1)O[C@@H](c2ccc(cc2)Cl)c3ccccn3 1458a_200020619139_100015361967 [0,1,0,0,0,0|1,0,0]=2 81 B30R3.11985588 CC(=O)NC(=O)CN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100000183797 [0,1,0,0,0,0|2,0,1]=4 82 B30R3.11985588 CC(CN(C)C)CN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100015348159 [0,1,0,0,0,0|3,0,0]=4 83 B30R3.11985588 CC(CN(C)C)CN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100015348159 [0,1,0,0,0,0|3,0,0]=4 84 B30R3.11985588 NC(=O)NC(=O)CN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100000182717 [0,1,0,0,0,0|2,0,1]=4 85 B30R3.11985588 NC(=O)NC(=O)CN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100000182717 [0,1,0,0,0,0|2,0,1]=4 86 B30R3.11985678 CC(C)(O)CCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100009888830 [0,1,0,0,0,0|1,0,1]=3 87 B30R3.11985678 CC(C)(O)CCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100009888830 [0,1,0,0,0,0|1,0,1]=3 88 B30R3.11985678 CC(C)(O)CCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100009888830 [0,1,0,0,0,0|1,0,1]=3 89 B30R3.11985678 CS(=O)(=O)CCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100000754308 [0,1,0,0,0,0|1,0,1]=3 90 B30R3.11985678 CS(=O)(=O)CCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100000754308 [0,1,0,0,0,0|1,0,1]=3 91 B30R3.11985678 CS(=O)(=O)CCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100000754308 [0,1,0,0,0,0|1,0,1]=3 92 B30R3.11985678 CS(=O)(=O)NCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100000754112 [0,1,0,0,0,0|2,0,1]=4 93 B30R3.11985678 CS(=O)(=O)NCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100000754112 [0,1,0,0,0,0|2,0,1]=4 94 B30R3.11985678 CS(=O)(=O)OCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_200000036756 [0,1,0,0,0,0|2,0,1]=4 95 B30R3.11985678 CS(=O)(=O)OCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_200000036756 [0,1,0,0,0,0|2,0,1]=4 96 B30R3.11985678 CS(=O)(=O)OCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_200000036756 [0,1,0,0,0,0|2,0,1]=4 97 B30R3.11985678 C[N+](C)(C)CCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100016990835 [0,1,0,0,0,0|3,0,0]=4 98 B30R3.11985678 C[N+](C)(C)CCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100016990835 [0,1,0,0,0,0|3,0,0]=4 99 B30R3.11985678 C[N+](C)(C)CCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100016990835 [0,1,0,0,0,0|3,0,0]=4 100 B30R3.11985678 NS(=O)(=O)CCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100000750626 [0,1,0,0,0,0|1,0,1]=3 101 B30R3.11985678 NS(=O)(=O)CCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100000750626 [0,1,0,0,0,0|1,0,1]=3 102 B30R3.11985678 NS(=O)(=O)CCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100000750626 [0,1,0,0,0,0|1,0,1]=3 103 B30R3.11985678 O=S(=O)([O-])CCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100009813499 [0,1,0,0,0,0|1,0,1]=3 104 B30R3.11985678 O=S(=O)([O-])CCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100009813499 [0,1,0,0,0,0|1,0,1]=3 105 B30R3.11985791 CC(=O)NCC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 11a_100016990212_100000194580 [0,1,0,0,0,0|2,0,1]=4 106 B30R3.11985791 CC(=O)NCC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 1626a_100016990212_100000194580 [0,1,0,0,0,0|2,0,1]=4 107 B30R3.11985791 CC(=O)NCC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 240690a_100016990212_100000194580 [0,1,0,0,0,0|2,0,1]=4 108 B30R3.11985791 CC(=O)NCC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 527a_100016990212_100000194580 [0,1,0,0,0,0|2,0,1]=4 109 B30R3.11985791 CC(=O)OCC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 1626a_100016990212_100000183556 [0,1,0,0,0,0|2,0,1]=4 110 B30R3.11985791 CC(=O)OCC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 240690a_100016990212_100000183556 [0,1,0,0,0,0|2,0,1]=4 111 B30R3.11985791 CC(=O)OCC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 527a_100016990212_100000183556 [0,1,0,0,0,0|2,0,1]=4 112 B30R3.11985791 CC(=O)OCC(C)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 270004a_100016990212_100000000629 [0,1,0,0,0,0|2,0,0]=3 113 B30R3.11985791 CC(=O)SCC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 11a_100016990212_100000049016 [0,1,0,0,0,0|2,0,1]=4 114 B30R3.11985791 CC(=O)SCC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 1626a_100016990212_100000049016 [0,1,0,0,0,0|2,0,1]=4 115 B30R3.11985791 CC(=O)SCC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 240690a_100016990212_100000049016 [0,1,0,0,0,0|2,0,1]=4 116 B30R3.11985791 CC(O)CCC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 1626a_100016990212_100000718519 [0,1,0,0,0,0|1,0,2]=4 117 B30R3.11985791 NC(=O)CCC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 240690a_100016990212_100011215257 [0,1,0,0,0,0|1,0,1]=3 118 B30R3.11985791 NC(=O)CCC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 527a_100016990212_100011215257 [0,1,0,0,0,0|1,0,1]=3 119 B30R3.11985791 NC(=O)CNC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 273464a_100000711301_100016990212 [0,1,0,0,0,0|2,0,1]=4 120 B30R3.11985791 NC(=O)NCC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 240690a_100016990212_100000184981 [0,1,0,0,0,0|2,0,1]=4 121 B30R3.11985791 NC(=O)NCC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 527a_100016990212_100000184981 [0,1,0,0,0,0|2,0,1]=4 122 B30R3.11985791 NC(=O)SCC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 240690a_100016990212_200015941356 [0,1,0,0,0,0|2,0,1]=4 123 B30R3.11985791 O=C(CC[N+](=O)[O-])N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 11a_100016990212_200000064761 [0,1,0,0,0,0|1,0,2]=4 124 B30R3.11985791 O=C(CC[N+](=O)[O-])N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 1626a_100016990212_200000064761 [0,1,0,0,0,0|1,0,2]=4 125 B30R3.11985791 O=C(CC[N+](=O)[O-])N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 240690a_100016990212_200000064761 [0,1,0,0,0,0|1,0,2]=4 126 B30R4.328729 CN1CCC(C1)N2CCC(CC2)OC(c3ccc(cc3)Cl)c4ccccn4 269982a_100016990212_200012183744 [0,0,0,1,0,0|3,0,0]=4 127 B30R4.328729 O=C1OCC(O1)N2CCC(CC2)OC(c3ccc(cc3)Cl)c4ccccn4 34a_100016990212_100000032252 [0,0,0,1,0,0|1,0,0]=2 128 B30R4.328729 OC1CCC(C1)N2CCC(CC2)OC(c3ccc(cc3)Cl)c4ccccn4 270004a_100016990212_100012614533 [0,0,0,1,0,0|1,0,1]=3 129 B30R4.7671344 Clc1ccc(cc1)C(OC2CCN(CC2)CCCC3CO3)c4ccccn4 2230a_100016990212_100000733510 [0,0,0,1,0,0|1,0,1]=3 130 B30R4.7671344 Clc1ccc(cc1)C(OC2CCN(CC2)CCCC3CO3)c4ccccn4 269982a_100016990212_100000733510 [0,0,0,1,0,0|1,0,1]=3 131 B30R4.7671344 Clc1ccc(cc1)C(OC2CCN(CC2)CCCC3CO3)c4ccccn4 34a_100016990212_100000733510 [0,0,0,1,0,0|1,0,1]=3 132 B30R4.7671396 O=C1CC(C1)CN2CCC(CC2)OC(c3ccc(cc3)Cl)c4ccccn4 2230a_100016990212_100009874392 [0,0,0,1,0,0|1,0,0]=2 133 B30R4.7671396 O=C1CC(C1)CN2CCC(CC2)OC(c3ccc(cc3)Cl)c4ccccn4 269982a_100016990212_100009874392 [0,0,0,1,0,0|1,0,0]=2 134 B30R4.7671557 FC1(CC1CN2CCC(CC2)OC(c3ccc(cc3)Cl)c4ccccn4)F 2230a_100016990212_100009817841 [0,0,0,1,0,0|2,0,1]=4 135 B30R4.7671557 FC1(CC1CN2CCC(CC2)OC(c3ccc(cc3)Cl)c4ccccn4)F 269982a_100016990212_100009817841 [0,0,0,1,0,0|2,0,1]=4 136 B30R4.7671557 FC1(CC1CN2CCC(CC2)OC(c3ccc(cc3)Cl)c4ccccn4)F 34a_100016990212_100009817841 [0,0,0,1,0,0|2,0,1]=4 137 B28R3.198463 CC(=O)CCCN1CCN(CC1)C(c2ccccc2)c3ccc(cc3)Cl 269982a_100000720465_100011215641 [0,0,0,0,1,0|3,0,0]=4 138 B28R3.198463 CC(=O)CCCN1CCN(CC1)C(c2ccccc2)c3ccc(cc3)Cl 34a_100000720465_100000685027 [0,0,0,0,1,0|3,0,0]=4 139 B28R3.198463 NC(=O)CCCN1CCN(CC1)C(c2ccccc2)c3ccc(cc3)Cl 269982a_100000720465_100102525003 [0,0,0,0,1,0|3,0,0]=4 140 B28R3.198463 NC(=O)CCCN1CCN(CC1)C(c2ccccc2)c3ccc(cc3)Cl 34a_100000720465_100102525003 [0,0,0,0,1,0|3,0,0]=4 141 B28R3.7971325 CC(=O)CCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100000053229 [0,0,0,0,1,0|1,0,0]=2 142 B28R3.7971325 CC(=O)OCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100000076356 [0,0,0,0,1,0|2,0,0]=3 143 B28R3.7971325 CC(=O)OCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100009813279 [0,0,0,0,1,0|2,0,0]=3 144 B28R3.7971325 CC(O)CCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100012276601 [0,0,0,0,1,0|1,0,1]=3 145 B28R3.7971325 CC(O)CCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100012276601 [0,0,0,0,1,0|1,0,1]=3 146 B28R3.7971325 CC(O)CCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100012276601 [0,0,0,0,1,0|1,0,1]=3 147 B28R3.7971325 CN(C)CCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100000755713 [0,0,0,0,1,0|3,0,0]=4 148 B28R3.7971325 NC(=O)CCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100000744528 [0,0,0,0,1,0|1,0,0]=2 149 B28R3.7971325 NC(=O)CCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100000744528 [0,0,0,0,1,0|1,0,0]=2 150 B28R3.7971325 NC(=O)CCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100000731001 [0,0,0,0,1,0|1,0,0]=2 151 B30R3.11985789 CC(=O)OCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100000042594 [0,0,0,0,0,1|1,0,0]=2 152 B30R3.11985789 CC(=O)OCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100000042594 [0,0,0,0,0,1|1,0,0]=2 153 B30R3.11985789 CC(=O)SCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100000038929 [0,0,0,0,0,1|1,0,0]=2 154 B30R3.11985789 CC(=O)SCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100000038929 [0,0,0,0,0,1|1,0,0]=2 155 B30R3.11985789 CC(=O)SCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100000038929 [0,0,0,0,0,1|1,0,0]=2 156 B30R3.11985789 CN(C)CCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100000690147 [0,0,0,0,0,1|3,0,0]=4 157 B30R3.11985789 FC(F)COCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_200012177212 [0,0,0,0,0,1|2,0,1]=4 158 B30R3.11985789 FC(F)COCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_200012177212 [0,0,0,0,0,1|2,0,1]=4 159 B30R3.11985789 NC(=O)COCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100000076697 [0,0,0,0,0,1|1,0,0]=2 160 B30R3.11985789 NC(=O)COCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100000076697 [0,0,0,0,0,1|1,0,0]=2 161 B30R3.11985789 NC(=O)COCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100000076697 [0,0,0,0,0,1|1,0,0]=2 162 B30R3.11985789 OB(O)CCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_200009817182 [0,0,0,0,0,1|1,0,1]=3 163 B30R3.11985789 OB(O)CCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_200009817182 [0,0,0,0,0,1|1,0,1]=3 164 B30R3.11985789 OB(O)CCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_200009817182 [0,0,0,0,0,1|1,0,1]=3 165 B27R3.9004 O=CCCCN1CCC(CC1)OC(c2ccccc2)c3ccccc3 2230a_100016987672_200011292268 [2,0,0,0,0,0|1,0,0]=3 166 B27R3.9004 O=CCCCN1CCC(CC1)OC(c2ccccc2)c3ccccc3 269982a_100016987672_200011292268 [2,0,0,0,0,0|1,0,0]=3 167 B27R3.9004 OCCCCN1CCC(CC1)OC(c2ccccc2)c3ccccc3 2230a_100016987672_100000210776 [2,0,0,0,0,0|1,0,1]=4 168 B27R3.9004 OCCCCN1CCC(CC1)OC(c2ccccc2)c3ccccc3 269982a_100016987672_100000210776 [2,0,0,0,0,0|1,0,1]=4 169 B27R3.9004 OCCCCN1CCC(CC1)OC(c2ccccc2)c3ccccc3 34a_100016987672_100011216708 [2,0,0,0,0,0|1,0,1]=4 170 B27R3.21730 C#CCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100000688953 [2,0,0,0,0,0|0,0,2]=4 171 B27R3.21730 C#CCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100000730999 [2,0,0,0,0,0|0,0,2]=4 172 B27R3.21730 C#CCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100000688953 [2,0,0,0,0,0|0,0,2]=4 173 B27R3.21730 C/C=C/CN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100102629194 [2,0,0,0,0,0|1,0,1]=4 174 B27R3.21730 C/C=C/CN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100102629194 [2,0,0,0,0,0|1,0,1]=4 175 B27R3.21730 C=CCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100000754431 [2,0,0,0,0,0|0,0,1]=3 176 B27R3.21730 C=CCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100000754431 [2,0,0,0,0,0|0,0,1]=3 177 B27R3.21730 C=CCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100000754431 [2,0,0,0,0,0|0,0,1]=3 178 B27R3.21730 CC=CCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100000070051 [2,0,0,0,0,0|1,0,1]=4 179 B27R3.21730 CC=CCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100000070051 [2,0,0,0,0,0|1,0,1]=4 180 B27R3.21730 CCCCN1CCC(CC1)NC(c2ccc(cc2)Cl)c3ccccn3 2230a_100000746687_200010188304 [2,0,0,0,0,0|1,0,1]=4 181 B27R3.21730 CCCCN1CCC(CC1)NC(c2ccc(cc2)Cl)c3ccccn3 270004a_100000746687_100000753647 [2,0,0,0,0,0|1,0,1]=4 182 B27R3.21730 CCOCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100000739092 [2,0,0,0,0,0|1,0,1]=4 183 B27R3.21730 COCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100011201679 [2,0,0,0,0,0|1,0,1]=4 184 B27R3.21730 COCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100000233755 [2,0,0,0,0,0|1,0,1]=4 185 B27R3.21730 COCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100011201679 [2,0,0,0,0,0|1,0,1]=4 186 B27R3.21730 CSCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100000751147 [2,0,0,0,0,0|1,0,1]=4 187 B27R3.21730 CSCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100000212216 [2,0,0,0,0,0|1,0,1]=4 188 B27R3.21730 CSCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100000212216 [2,0,0,0,0,0|1,0,1]=4 189 B27R3.21730 FCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100011934791 [2,0,0,0,0,0|1,0,0]=3 190 B27R3.21730 FCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100011934791 [2,0,0,0,0,0|1,0,0]=3 191 B27R3.21730 FCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100011934791 [2,0,0,0,0,0|1,0,0]=3 192 B27R3.21730 N#CCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100011215226 [2,0,0,0,0,0|1,0,1]=4 193 B27R3.21730 N#CCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100011215226 [2,0,0,0,0,0|1,0,1]=4 194 B27R3.21730 OCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100000230001 [2,0,0,0,0,0|0,0,0]=2 195 B27R3.21730 OCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100011215043 [2,0,0,0,0,0|0,0,0]=2 196 B27R3.21730 OCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100000230001 [2,0,0,0,0,0|0,0,0]=2 197 B29R3.144222 C#CCOCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100010402529 [1,1,0,0,0,0|1,0,1]=4 198 B29R3.144222 C#CCOCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100010402529 [1,1,0,0,0,0|1,0,1]=4 199 B29R3.144222 CCCOCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100011215938 [1,1,0,0,0,0|1,0,1]=4 200 B29R3.144222 CCCOCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100011215938 [1,1,0,0,0,0|1,0,1]=4 201 B29R3.144222 CCCOCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100011215938 [1,1,0,0,0,0|1,0,1]=4 202 B29R3.144222 CCOCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100012232248 [1,1,0,0,0,0|1,0,1]=4 203 B29R3.144222 CCOCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100012232248 [1,1,0,0,0,0|1,0,1]=4 204 B29R3.144222 CCOCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100012232248 [1,1,0,0,0,0|1,0,1]=4 205 B29R3.144222 COCCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100000730899 [1,1,0,0,0,0|0,0,1]=3 206 B29R3.144222 COCCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100000730899 [1,1,0,0,0,0|0,0,1]=3 207 B29R3.144222 COCCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100000755781 [1,1,0,0,0,0|0,0,1]=3 208 B29R3.144222 COCCOCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100000231047 [1,1,0,0,0,0|1,0,1]=4 209 B29R3.144222 COCCOCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100000231047 [1,1,0,0,0,0|1,0,1]=4 210 B29R3.144222 N#CCOCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_200000047693 [1,1,0,0,0,0|1,0,1]=4 211 B29R3.144222 O=CCCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100000139335 [1,1,0,0,0,0|0,0,0]=2 212 B29R3.144222 O=CCCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100000139335 [1,1,0,0,0,0|0,0,0]=2 213 B29R3.144222 OCCCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100000746330 [1,1,0,0,0,0|0,0,1]=3 214 B29R3.144222 OCCCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100000746330 [1,1,0,0,0,0|0,0,1]=3 215 B29R3.144222 OCCCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100000746330 [1,1,0,0,0,0|0,0,1]=3 216 B29R3.144222 OCCOCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100011215305 [1,1,0,0,0,0|0,0,1]=3 217 B29R3.144222 OCCOCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100011215305 [1,1,0,0,0,0|0,0,1]=3 218 B29R3.144222 OCCOCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100000692535 [1,1,0,0,0,0|0,0,1]=3 219 B29R3.276682 C=CCCC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 11a_100016990212_100000749702 [1,1,0,0,0,0|1,0,1]=4 220 B29R3.276682 C=CCCC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 1626a_100016990212_100000749702 [1,1,0,0,0,0|1,0,1]=4 221 B29R3.276682 C=CCCC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 240690a_100016990212_100000749702 [1,1,0,0,0,0|1,0,1]=4 222 B29R3.276682 C=CCCC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 527a_100016990212_100000749702 [1,1,0,0,0,0|1,0,1]=4 223 B29R3.276682 COCCC(C)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 270004a_100016990212_100000742357 [1,1,0,0,0,0|2,0,0]=4 224 B29R3.286676 COCC(O)CN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100011215053 [1,1,0,0,0,0|2,0,0]=4 225 B29R3.286676 N#CC[C@H](O)CN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100000001066 [1,1,0,0,0,0|1,0,1]=4 226 B29R3.223234 CNC(=O)CCCN1CCC(CC1)OC(c2ccccc2)c3ccccc3 2230a_100016987672_100000741757 [1,1,0,0,0,0|2,0,0]=4 227 B29R3.223234 CNC(=O)CCCN1CCC(CC1)OC(c2ccccc2)c3ccccc3 269982a_100016987672_100000741757 [1,1,0,0,0,0|2,0,0]=4 228 B29R3.223234 CNC(=O)CCCN1CCC(CC1)OC(c2ccccc2)c3ccccc3 34a_100016987672_100000741757 [1,1,0,0,0,0|2,0,0]=4 229 B29R3.223234 COC(=O)CCCN1CCC(CC1)OC(c2ccccc2)c3ccccc3 2230a_100016987672_100011218270 [1,1,0,0,0,0|1,0,0]=3 230 B29R3.223234 COC(=O)CCCN1CCC(CC1)OC(c2ccccc2)c3ccccc3 269982a_100016987672_100011218270 [1,1,0,0,0,0|1,0,0]=3 231 B29R3.223234 COC(=O)CCCN1CCC(CC1)OC(c2ccccc2)c3ccccc3 34a_100016987672_100000742333 [1,1,0,0,0,0|1,0,0]=3 232 B29R3.223224 COC(=O)CCCN1CCN(CC1)C(c2ccccc2)c3ccc(cc3)Cl 2230a_100000720465_100011218270 [0,1,0,0,1,0|2,0,0]=4 233 B29R3.223224 COC(=O)CCCN1CCN(CC1)C(c2ccccc2)c3ccc(cc3)Cl 269982a_100000720465_100011218270 [0,1,0,0,1,0|2,0,0]=4 234 B29R3.223224 COC(=O)CCCN1CCN(CC1)C(c2ccccc2)c3ccc(cc3)Cl 34a_100000720465_100000742333 [0,1,0,0,1,0|2,0,0]=4 235 B29R3.10106253 CC(C)(O)CCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100000702414 [0,1,0,0,1,0|1,0,1]=4 236 B29R3.10106253 CC(C)(O)CCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100000702414 [0,1,0,0,1,0|1,0,1]=4 237 B29R3.10106253 CS(=O)(=O)CCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100000731031 [0,1,0,0,1,0|1,0,1]=4 238 B29R3.10106253 CS(=O)(=O)CCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100000731031 [0,1,0,0,1,0|1,0,1]=4 239 B29R3.10106253 CS(=O)(=O)CCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100000731031 [0,1,0,0,1,0|1,0,1]=4 240 B29R3.10106253 O=S(=O)([O-])CCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100000737633 [0,1,0,0,1,0|1,0,1]=4 241 B29R3.10106253 O=S(=O)([O-])CCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100000762736 [0,1,0,0,1,0|1,0,1]=4 242 B29R3.10106311 CC(=O)OC(C)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100009818208 [0,1,0,0,1,0|2,0,0]=4 243 B29R3.10106311 NC(=O)CC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 240690a_100016990212_100134613110 [0,1,0,0,1,0|1,0,1]=4 244 B29R3.10106311 NC(=O)CC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 527a_100016990212_100134613110 [0,1,0,0,1,0|1,0,1]=4 245 B29R3.10106314 CC(=O)C(=O)CN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100011261029 [0,1,0,0,1,0|1,0,1]=4 246 B29R3.10106314 CC(=O)C(=O)CN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100011261029 [0,1,0,0,1,0|1,0,1]=4 247 B31R3.2326099 COC(=O)CCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100000204269 [0,1,0,0,0,1|0,0,0]=2 248 B31R3.2326099 COC(=O)CCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100000204269 [0,1,0,0,0,1|0,0,0]=2 249 B31R3.2326099 COC(=O)CCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100000204269 [0,1,0,0,0,1|0,0,0]=2 250 B31R3.2326099 COC(=O)COCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100000090808 [0,1,0,0,0,1|0,0,0]=2 251 B31R3.2326099 COC(=O)COCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100000090808 [0,1,0,0,0,1|0,0,0]=2 252 B31R3.11530350 NC(=O)NC(=O)CCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100000237605 [0,1,0,0,0,1|1,0,1]=4 253 B31R3.11530350 NC(=O)NC(=O)CCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100000237605 [0,1,0,0,0,1|1,0,1]=4 254 B31R3.11530681 CC(=O)OCC(=O)CN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100000036994 [0,1,0,0,0,1|1,0,1]=4 255 B31R3.11530681 CC(=O)OCC(=O)CN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100000036994 [0,1,0,0,0,1|1,0,1]=4 256 B31R3.11530681 CC(=O)OCC(O)CN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_200000139349 [0,1,0,0,0,1|1,0,0]=3 257 B31R3.11530681 CC(=O)OCC(O)CN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_200000139349 [0,1,0,0,0,1|1,0,0]=3 258 B31R3.11530722 CC(=O)NCCC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 11a_100016990212_100000183196 [0,1,0,0,0,1|1,0,1]=4 259 B31R3.11530722 CC(=O)NCCC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 1626a_100016990212_100000183196 [0,1,0,0,0,1|1,0,1]=4 260 B31R3.11530722 CC(=O)NCCC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 240690a_100016990212_100000183196 [0,1,0,0,0,1|1,0,1]=4 261 B31R3.11530722 CC(=O)NCCC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 527a_100016990212_100000183196 [0,1,0,0,0,1|1,0,1]=4 262 B31R3.11530722 CC(=O)SCCC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 1626a_100016990212_100000048949 [0,1,0,0,0,1|1,0,1]=4 263 B31R3.11530722 CC(=O)SCCC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 240690a_100016990212_100000048949 [0,1,0,0,0,1|1,0,1]=4 264 B31R3.11530722 CC(O)CCCC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 1626a_100016990212_100000761597 [0,1,0,0,0,1|1,0,1]=4 265 B31R3.11530722 CC(O)CCCC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 527a_100016990212_100000761597 [0,1,0,0,0,1|1,0,1]=4 266 B31R3.11530722 NC(=O)CCNC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 273464a_100000740010_100016990212 [0,1,0,0,0,1|1,0,1]=4 267 B31R3.11530722 NC(=O)COCC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 1626a_100016990212_100011219004 [0,1,0,0,0,1|1,0,1]=4 268 B31R3.11530722 NC(=O)COCC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 240690a_100016990212_100011219004 [0,1,0,0,0,1|1,0,1]=4 269 B31R3.11530722 NC(=O)COCC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 527a_100016990212_100011219004 [0,1,0,0,0,1|1,0,1]=4 270 B31R3.11530722 NC(=O)CSCC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 11a_100016990212_100000150265 [0,1,0,0,0,1|1,0,1]=4 271 B31R3.11530722 NC(=O)CSCC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 240690a_100016990212_100000150265 [0,1,0,0,0,1|1,0,1]=4 272 B31R3.11530722 NC(=O)CSCC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 527a_100016990212_100000150265 [0,1,0,0,0,1|1,0,1]=4 273 B31R3.11530722 NC(=O)NCCC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 240690a_100016990212_100000181464 [0,1,0,0,0,1|1,0,1]=4 274 B31R3.11530722 NC(=O)NCCC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 527a_100016990212_100000181464 [0,1,0,0,0,1|1,0,1]=4 275 B31R3.11530722 O=C(CCC[N+](=O)[O-])N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 11a_100016990212_100016109205 [0,1,0,0,0,1|1,0,1]=4 276 B31R3.11530722 O=C(CCC[N+](=O)[O-])N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 1626a_100016990212_100016109205 [0,1,0,0,0,1|1,0,1]=4 277 B31R3.11530722 O=C(CCC[N+](=O)[O-])N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 240690a_100016990212_100016109205 [0,1,0,0,0,1|1,0,1]=4 278 B31R3.11530722 O=C(CCC[N+](=O)[O-])N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 527a_100016990212_100016109205 [0,1,0,0,0,1|1,0,1]=4 279 B31R3.114336 COC(CCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3)OC 2230a_100016990212_100000069011 [0,2,0,0,0,0|0,0,2]=4 280 B31R3.114336 COC(CCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3)OC 269982a_100016990212_100000069011 [0,2,0,0,0,0|0,0,2]=4 281 B31R3.114336 COC(CCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3)OC 34a_100016990212_100000069011 [0,2,0,0,0,0|0,0,2]=4 282 B31R3.161387 C#CCC(=O)CCCN1CCC(CC1)O[C@@H](c2ccc(cc2)Cl)c3ccccn3 1458a_200020619139_100000184674 [0,2,0,0,0,0|1,0,0]=3 283 B31R3.161387 CCNC(=O)CCCN1CCC(CC1)O[C@@H](c2ccc(cc2)Cl)c3ccccn3 11a_100015525214_200020619139 [0,2,0,0,0,0|1,0,0]=3 284 B31R3.161387 CCNC(=O)CCCN1CCC(CC1)O[C@@H](c2ccc(cc2)Cl)c3ccccn3 240690a_100015525214_200020619139 [0,2,0,0,0,0|1,0,0]=3 285 B31R3.161387 CCOC(=O)/C=C/CN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100016267167 [0,2,0,0,0,0|0,0,2]=4 286 B31R3.161387 CCOC(=O)/C=C/CN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100016267167 [0,2,0,0,0,0|0,0,2]=4 287 B31R3.161387 CCOC(=O)/C=C/CN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100016267167 [0,2,0,0,0,0|0,0,2]=4 288 B31R3.161387 CCOC(=O)CCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100009991533 [0,2,0,0,0,0|0,0,0]=2 289 B31R3.161387 CCOC(=O)CCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100009991533 [0,2,0,0,0,0|0,0,0]=2 290 B31R3.161387 CCOC(=O)CCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100009991533 [0,2,0,0,0,0|0,0,0]=2 291 B31R3.161387 CCOC(=O)NCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_200011445536 [0,2,0,0,0,0|1,0,0]=3 292 B31R3.161387 CNNC(=O)CCCN1CCC(CC1)O[C@@H](c2ccc(cc2)Cl)c3ccccn3 22a_100016993582_200020619139 [0,2,0,0,0,0|1,0,0]=3 293 B31R3.161387 N#CCC(=O)CCCN1CCC(CC1)O[C@@H](c2ccc(cc2)Cl)c3ccccn3 1458a_200020619139_100011214920 [0,2,0,0,0,0|1,0,0]=3 294 B31R3.161387 O=C(CCO)CCCN1CCC(CC1)O[C@@H](c2ccc(cc2)Cl)c3ccccn3 1458a_200020619139_100000211926 [0,2,0,0,0,0|0,0,0]=2 295 B31R3.3627323 CNC(=O)CCC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 11a_100016990212_100011309844 [0,2,0,0,0,0|1,0,1]=4 296 B31R3.3627323 CNC(=O)CCC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 1626a_100016990212_100011309844 [0,2,0,0,0,0|1,0,1]=4 297 B31R3.3627323 CNC(=O)CCC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 240690a_100016990212_100011309844 [0,2,0,0,0,0|1,0,1]=4 298 B31R3.3627323 CNC(=O)CCC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 527a_100016990212_100011309844 [0,2,0,0,0,0|1,0,1]=4 299 B31R3.3627323 COC(=O)CCC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 11a_100016990212_100000187943 [0,2,0,0,0,0|0,0,1]=3 300 B31R3.3627323 COC(=O)CCC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 1626a_100016990212_100000187943 [0,2,0,0,0,0|0,0,1]=3 301 B31R3.3627323 COC(=O)CCC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 240690a_100016990212_100000187943 [0,2,0,0,0,0|0,0,1]=3 302 B31R3.3627323 COC(=O)CCC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 527a_100016990212_100000187943 [0,2,0,0,0,0|0,0,1]=3 303 B31R3.3627323 COC(=O)NCC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 11a_100016990212_100000215747 [0,2,0,0,0,0|1,0,1]=4 304 B31R3.3627323 COC(=O)NCC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 1626a_100016990212_100000215747 [0,2,0,0,0,0|1,0,1]=4 305 B31R3.3627323 COC(=O)NCC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 240690a_100016990212_100000215747 [0,2,0,0,0,0|1,0,1]=4 306 B31R3.3627323 COC(=O)NCC(=O)N1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 527a_100016990212_100000215747 [0,2,0,0,0,0|1,0,1]=4 307 B31R3.11990219 COC(=O)C[C@@H](O)CN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100000754131 [0,2,0,0,0,0|0,0,0]=2 308 B31R3.11990219 COC(=O)NC(=O)CN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100000010850 [0,2,0,0,0,0|1,0,1]=4 309 B31R3.12106804 COC(=O)C(C)CCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100000034942 [0,2,0,0,0,0|0,0,0]=2 310 B31R3.12106804 COC(=O)C(C)CCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100000034942 [0,2,0,0,0,0|0,0,0]=2 311 B31R3.12106804 COC(=O)C(C)CCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100000034942 [0,2,0,0,0,0|0,0,0]=2 312 B31R3.11530649 O=S(=O)([O-])CC(O)CN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100016993520 [0,2,0,0,0,0|1,0,1]=4 313 B29R3.10108391 NC(=O)C1CCN(CC1)CCCNC(c2ccc(cc2)Cl)c3ccccn3 270004a_100000740261_100000753647 [0,0,1,1,0,0|2,0,0]=4 314 B29R4.323684 Clc1ccc(cc1)C(OC2CCN(CC2)C3CCOC3)c4ccccn4 2230a_100016990212_100000731011 [1,0,0,1,0,0|2,0,0]=4 315 B29R4.323684 Clc1ccc(cc1)C(OC2CCN(CC2)C3CCOC3)c4ccccn4 269982a_100016990212_100000731011 [1,0,0,1,0,0|2,0,0]=4 316 B29R4.323684 Clc1ccc(cc1)C(OC2CCN(CC2)C3CCOC3)c4ccccn4 270004a_100016990212_100000752484 [1,0,0,1,0,0|2,0,0]=4 317 B29R4.323684 Clc1ccc(cc1)C(OC2CCN(CC2)C3CCOC3)c4ccccn4 34a_100016990212_100000690089 [1,0,0,1,0,0|2,0,0]=4 318 B29R4.323684 Clc1ccc(cc1)C(OC2CCN(CC2)C3CCSC3)c4ccccn4 270004a_100016990212_100000212027 [1,0,0,1,0,0|2,0,0]=4 319 B29R4.8353870 Clc1ccc(cc1)C(OC2CCN(CC2)CC3CCO3)c4ccccn4 2230a_100016990212_100000103362 [1,0,0,1,0,0|0,0,1]=3 320 B29R4.8353870 Clc1ccc(cc1)C(OC2CCN(CC2)CC3CCO3)c4ccccn4 269982a_100016990212_100000103362 [1,0,0,1,0,0|0,0,1]=3 321 B29R4.8353870 Clc1ccc(cc1)C(OC2CCN(CC2)CC3CCO3)c4ccccn4 34a_100016990212_100000103362 [1,0,0,1,0,0|0,0,1]=3 322 B29R4.8353870 Clc1ccc(cc1)C(OC2CCN(CC2)CC3COC3)c4ccccn4 2230a_100016990212_100010264016 [1,0,0,1,0,0|2,0,0]=4 323 B29R4.8353870 Clc1ccc(cc1)C(OC2CCN(CC2)CC3COC3)c4ccccn4 269982a_100016990212_100010264016 [1,0,0,1,0,0|2,0,0]=4 324 B29R4.8353870 Clc1ccc(cc1)C(OC2CCN(CC2)CC3COC3)c4ccccn4 34a_100016990212_100010264016 [1,0,0,1,0,0|2,0,0]=4 325 B29R4.8353872 Clc1ccc(cc1)C(OC2CCN(CC2)CCC3CO3)c4ccccn4 2230a_100016990212_100000732470 [1,0,0,1,0,0|0,0,1]=3 326 B29R4.8353872 Clc1ccc(cc1)C(OC2CCN(CC2)CCC3CO3)c4ccccn4 269982a_100016990212_100000732470 [1,0,0,1,0,0|0,0,1]=3 327 B29R4.8353872 Clc1ccc(cc1)C(OC2CCN(CC2)CCC3CO3)c4ccccn4 34a_100016990212_100000732470 [1,0,0,1,0,0|0,0,1]=3 328 B29R4.8353924 O=C1CCC1N2CCC(CC2)OC(c3ccc(cc3)Cl)c4ccccn4 269982a_100016990212_100009892977 [1,0,0,1,0,0|0,0,0]=2 329 B29R4.8353924 O=C1CCC1N2CCC(CC2)OC(c3ccc(cc3)Cl)c4ccccn4 34a_100016990212_100009892977 [1,0,0,1,0,0|0,0,0]=2 330 B29R4.199288 O=C1CC(C1)CN2CCC(CC2)OC(c3ccccc3)c4ccccc4 2230a_100016987672_100009874392 [1,0,0,1,0,0|2,0,0]=4 331 B29R4.199288 O=C1CC(C1)CN2CCC(CC2)OC(c3ccccc3)c4ccccc4 269982a_100016987672_100009874392 [1,0,0,1,0,0|2,0,0]=4 332 B29R4.1830813 O=C1OCC(O1)N2CCC(CC2)OC(c3ccccc3)c4ccccc4 34a_100016987672_100000032252 [1,0,0,1,0,0|2,0,0]=4 333 B29R4.8353940 O=C1CC(C1)N2CCC(CC2)OC(c3ccc(cc3)Cl)c4ccccn4 269982a_100016990212_100009894365 [0,0,0,1,1,0|1,0,0]=3 334 B31R4.455536 OC1CCCC(C1)N2CCC(CC2)OC(c3ccc(cc3)Cl)c4ccccn4 270004a_100016990212_100012613340 [0,0,0,1,0,1|1,0,1]=4 335 B31R4.10983153 O=C1C=C(CO1)CN2CCC(CC2)OC(c3ccc(cc3)Cl)c4ccccn4 34a_100016990212_100000716558 [0,0,0,1,0,1|1,0,1]=4 336 B31R4.10983153 O=C1CC[C@H](N1)CN2CCC(CC2)OC(c3ccc(cc3)Cl)c4ccccn4 2230a_100016990212_100015189358 [0,0,0,1,0,1|1,0,0]=3 337 B31R4.10983153 O=C1CC[C@H](N1)CN2CCC(CC2)OC(c3ccc(cc3)Cl)c4ccccn4 269982a_100016990212_100015189358 [0,0,0,1,0,1|1,0,0]=3 338 B31R4.10983153 O=C1NCC(O1)CN2CCC(CC2)OC(c3ccc(cc3)Cl)c4ccccn4 2230a_100016990212_100000181169 [0,0,0,1,0,1|0,0,0]=2 339 B31R4.10983153 O=C1NCC(O1)CN2CCC(CC2)OC(c3ccc(cc3)Cl)c4ccccn4 269982a_100016990212_100000181169 [0,0,0,1,0,1|0,0,0]=2 340 B31R4.10983153 O=C1NCC(O1)CN2CCC(CC2)OC(c3ccc(cc3)Cl)c4ccccn4 34a_100016990212_100000181169 [0,0,0,1,0,1|0,0,0]=2 341 B31R4.10983153 O=C1N[C@H](CO1)CN2CCC(CC2)OC(c3ccc(cc3)Cl)c4ccccn4 2230a_100016990212_100015307671 [0,0,0,1,0,1|1,0,0]=3 342 B31R4.10983153 O=C1N[C@H](CO1)CN2CCC(CC2)OC(c3ccc(cc3)Cl)c4ccccn4 269982a_100016990212_100015307671 [0,0,0,1,0,1|1,0,0]=3 343 B31R4.10983153 O=C1N[C@H](CO1)CN2CCC(CC2)OC(c3ccc(cc3)Cl)c4ccccn4 34a_100016990212_100015307671 [0,0,0,1,0,1|1,0,0]=3 344 B31R4.10983153 O=C1OCC(O1)CN2CCC(CC2)OC(c3ccc(cc3)Cl)c4ccccn4 269982a_100016990212_100000073702 [0,0,0,1,0,1|0,0,0]=2 345 B31R4.10983153 O=C1OCC(O1)CN2CCC(CC2)OC(c3ccc(cc3)Cl)c4ccccn4 34a_100016990212_100000073702 [0,0,0,1,0,1|0,0,0]=2 346 B31R4.10421 OC1CCC(CC1)N2CCC(CC2)OC(c3ccc(cc3)Cl)c4ccccn4 270004a_100016990212_100000764474 [0,1,0,1,0,0|1,0,1]=4 347 B31R4.455571 CN1CCC(C1=O)N2CCC(CC2)OC(c3ccc(cc3)Cl)c4ccccn4 2230a_100016990212_100000755940 [0,1,0,1,0,0|2,0,0]=4 348 B31R4.455571 CN1CCC(C1=O)N2CCC(CC2)OC(c3ccc(cc3)Cl)c4ccccn4 269982a_100016990212_100000755940 [0,1,0,1,0,0|2,0,0]=4 349 B31R4.455571 CN1CCC(C1=O)N2CCC(CC2)OC(c3ccc(cc3)Cl)c4ccccn4 34a_100016990212_100000755940 [0,1,0,1,0,0|2,0,0]=4 350 B31R4.95375205 O=C1CCC1CCN2CCC(CC2)OC(c3ccc(cc3)Cl)c4ccccn4 2230a_100016990212_200016118888 [0,1,0,1,0,0|1,0,0]=3 351 B31R4.95375205 O=C1CCC1CCN2CCC(CC2)OC(c3ccc(cc3)Cl)c4ccccn4 269982a_100016990212_200016118888 [0,1,0,1,0,0|1,0,0]=3 352 B31R4.10983404 CC1=CC(OC1=O)N2CCC(CC2)OC(c3ccc(cc3)Cl)c4ccccn4 2230a_100016990212_200009893386 [0,1,0,1,0,0|0,0,2]=4 353 B31R4.95376020 O=C1C[C@H](N1)C(=O)N2CCC(CC2)OC(c3ccc(cc3)Cl)c4ccccn4 527a_100016990212_100016090685 [0,1,0,1,0,0|1,0,1]=4 354 B27R3.116304 O=CCCCN1CCN(CC1)C(c2ccccc2)c3ccc(cc3)Cl 2230a_100000720465_200011292268 [1,0,0,0,1,0|2,0,0]=4 355 B27R3.116304 O=CCCCN1CCN(CC1)C(c2ccccc2)c3ccc(cc3)Cl 269982a_100000720465_200011292268 [1,0,0,0,1,0|2,0,0]=4 356 B27R3.116304 OCCCCN1CCN(CC1)C(c2ccc(cc2)Cl)c3ccccn3 2230a_100000760058_200010188304 [1,0,0,0,1,0|1,0,1]=4 357 B27R3.116304 OCCCCN1CCN(CC1)C(c2ccc(cc2)Cl)c3ccccn3 269982a_100000760058_200010188304 [1,0,0,0,1,0|1,0,1]=4 358 B27R3.116304 OCCCCN1CCN(CC1)C(c2ccc(cc2)Cl)c3ccccn3 270004a_100000760058_100000753647 [1,0,0,0,1,0|1,0,1]=4 359 B27R3.3064340 CC(=O)CCN1CCC(CC1)OC(c2ccccc2)c3ccccc3 269982a_100016987672_100000053229 [1,0,0,0,1,0|2,0,0]=4 360 B27R3.3064340 NC(=O)CCN1CCC(CC1)OC(c2ccccc2)c3ccccc3 2230a_100016987672_100000744528 [1,0,0,0,1,0|2,0,0]=4 361 B27R3.3064340 NC(=O)CCN1CCC(CC1)OC(c2ccccc2)c3ccccc3 269982a_100016987672_100000744528 [1,0,0,0,1,0|2,0,0]=4 362 B27R3.3064340 NC(=O)CCN1CCC(CC1)OC(c2ccccc2)c3ccccc3 34a_100016987672_100000731001 [1,0,0,0,1,0|2,0,0]=4 363 B27R3.169691 NC(=O)CCN1CCN(CC1)C(c2ccc(cc2)Cl)c3ccccn3 2230a_114929131469_200010188304 [0,0,0,0,2,0|2,0,0]=4 364 B27R3.169691 NC(=O)CCN1CCN(CC1)C(c2ccc(cc2)Cl)c3ccccn3 269982a_114929131469_200010188304 [0,0,0,0,2,0|2,0,0]=4 365 B27R3.169691 NC(=O)CCN1CCN(CC1)C(c2ccc(cc2)Cl)c3ccccn3 270004a_114929131469_100000753647 [0,0,0,0,2,0|2,0,0]=4 366 B27R3.169603 C=C(C)CN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100000748629 [0,0,0,0,2,0|2,0,0]=4 367 B27R3.169603 C=C(C)CN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100000748629 [0,0,0,0,2,0|2,0,0]=4 368 B27R3.169603 C=C(C)CN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100000748629 [0,0,0,0,2,0|2,0,0]=4 369 B27R3.169603 C=C(F)CN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100009893438 [0,0,0,0,2,0|2,0,0]=4 370 B27R3.169603 C=C(F)CN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100009893438 [0,0,0,0,2,0|2,0,0]=4 371 B27R3.169603 C=C(F)CN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100009893438 [0,0,0,0,2,0|2,0,0]=4 372 B27R3.169603 CC(O)CN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100011218427 [0,0,0,0,2,0|1,0,1]=4 373 B27R3.169603 CC(O)CN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100011218427 [0,0,0,0,2,0|1,0,1]=4 374 B27R3.169603 CC(O)CN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100011218427 [0,0,0,0,2,0|1,0,1]=4 375 B27R3.169603 C[C@@H](O)CN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100009817552 [0,0,0,0,2,0|1,0,1]=4 376 B27R3.169603 C[C@@H](O)CN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100009817552 [0,0,0,0,2,0|1,0,1]=4 377 B27R3.169603 C[C@@H](O)CN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100009817552 [0,0,0,0,2,0|1,0,1]=4 378 B27R3.169603 NC(=O)CN1CCC(CC1)NC(c2ccc(cc2)Cl)c3ccccn3 270004a_100015184089_100000753647 [0,0,0,0,2,0|2,0,0]=4 379 B27R3.169603 NC(=O)CN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100000747473 [0,0,0,0,2,0|1,0,0]=3 380 B27R3.169603 NC(=O)CN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100000187820 [0,0,0,0,2,0|1,0,0]=3 381 B27R3.169603 NC(=O)CN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100000187820 [0,0,0,0,2,0|1,0,0]=3 382 B27R3.169603 O=C(O)CN1CCC(CC1)NC(c2ccc(cc2)Cl)c3ccccn3 269956a_100160573092_200010188304 [0,0,0,0,2,0|1,0,0]=3 383 B27R3.169603 O=C(O)CN1CCC(CC1)NC(c2ccccc2)c3ccc(cc3)Cl 269956a_100160573092_100000211669 [0,0,0,0,2,0|2,0,0]=4 384 B27R3.169603 O=C([O-])CN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100020667443 [0,0,0,0,2,0|0,0,1]=3 385 B27R3.169603 O=C([O-])CN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100020667443 [0,0,0,0,2,0|0,0,1]=3 386 B27R3.169603 O=[N+]([O-])CN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100000761209 [0,0,0,0,2,0|1,0,1]=4 387 B27R3.169603 O=[N+]([O-])CN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100000761209 [0,0,0,0,2,0|1,0,1]=4 388 B29R3.244944 CC(=O)OCCCN1CCC(CC1)OC(c2ccccc2)c3ccccc3 269982a_100016987672_100000042594 [1,0,0,0,0,1|2,0,0]=4 389 B29R3.244944 CC(=O)OCCCN1CCC(CC1)OC(c2ccccc2)c3ccccc3 34a_100016987672_100000042594 [1,0,0,0,0,1|2,0,0]=4 390 B29R3.244944 CC(=O)SCCCN1CCC(CC1)OC(c2ccccc2)c3ccccc3 2230a_100016987672_100000038929 [1,0,0,0,0,1|2,0,0]=4 391 B29R3.244944 CC(=O)SCCCN1CCC(CC1)OC(c2ccccc2)c3ccccc3 269982a_100016987672_100000038929 [1,0,0,0,0,1|2,0,0]=4 392 B29R3.244944 CC(=O)SCCCN1CCC(CC1)OC(c2ccccc2)c3ccccc3 34a_100016987672_100000038929 [1,0,0,0,0,1|2,0,0]=4 393 B29R3.244944 NC(=O)COCCN1CCC(CC1)OC(c2ccccc2)c3ccccc3 2230a_100016987672_100000076697 [1,0,0,0,0,1|2,0,0]=4 394 B29R3.244944 NC(=O)COCCN1CCC(CC1)OC(c2ccccc2)c3ccccc3 269982a_100016987672_100000076697 [1,0,0,0,0,1|2,0,0]=4 395 B29R3.244944 NC(=O)COCCN1CCC(CC1)OC(c2ccccc2)c3ccccc3 34a_100016987672_100000076697 [1,0,0,0,0,1|2,0,0]=4 396 B31R3.11530641 CC(=O)OCCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100000033659 [0,0,0,0,0,2|1,0,0]=3 397 B31R3.11530641 CC(=O)OCCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100000033659 [0,0,0,0,0,2|1,0,0]=3 398 B31R3.11530641 CC(=O)OCCOCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100000076355 [0,0,0,0,0,2|1,0,0]=3 399 B31R3.11530641 CC(=O)OCCOCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100000076355 [0,0,0,0,0,2|1,0,0]=3 400 B31R3.11530641 NC(=O)CCCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_100009817443 [0,0,0,0,0,2|1,0,0]=3 401 B31R3.11530641 NC(=O)CCCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100009817443 [0,0,0,0,0,2|1,0,0]=3 402 B31R3.11530641 NC(=O)CCCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100009817443 [0,0,0,0,0,2|1,0,0]=3 403 B31R3.11530641 O=[N+]([O-])OCCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_100015694321 [0,0,0,0,0,2|1,0,1]=4 404 B31R3.11530641 O=[N+]([O-])OCCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_100015694321 [0,0,0,0,0,2|1,0,1]=4 405 B31R3.11530641 OB(O)/C=C/CCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_200016261450 [0,0,0,0,0,2|1,0,1]=4 406 B31R3.11530641 OB(O)/C=C/CCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_200016261450 [0,0,0,0,0,2|1,0,1]=4 407 B31R3.11530641 OB(O)/C=C/CCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_200016261450 [0,0,0,0,0,2|1,0,1]=4 408 B31R3.11530641 OB(O)CCCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 2230a_100016990212_200009817188 [0,0,0,0,0,2|1,0,1]=4 409 B31R3.11530641 OB(O)CCCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 269982a_100016990212_200009817188 [0,0,0,0,0,2|1,0,1]=4 410 B31R3.11530641 OB(O)CCCCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3 34a_100016990212_200009817188 [0,0,0,0,0,2|1,0,1]=4